USER MOD reduce.3.24.130724 H: found=0, std=0, add=259, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 260 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 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.29 X(o=-0.29,f=-0.042) USER MOD Single : A 16 LYS NZ :NH3+ 143:sc= -0.0637 (180deg=-0.58) USER MOD Single : A 17 LYS NZ :NH3+ 167:sc=-0.000316 (180deg=-0.0794) USER MOD Single : A 18 GLN : amide:sc= -0.0472 X(o=-0.047,f=-0.54) USER MOD Single : A 19 THR OG1 : rot 6:sc= 0.78 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0359 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 SER OG : rot 40:sc= 0.943 USER MOD Single : A 25 LYS NZ :NH3+ -157:sc= -0.0756 (180deg=-0.397) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.245 K(o=-0.25,f=-4.6!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 166:sc= -0.0734 (180deg=-0.319) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N ASP A 2 0.814 0.882 -3.285 1.00 62.10 N ATOM 9 CA ASP A 2 -0.024 0.241 -4.291 1.00 71.35 C ATOM 10 C ASP A 2 0.786 -0.097 -5.539 1.00 35.32 C ATOM 11 O ASP A 2 1.764 0.581 -5.859 1.00 65.54 O ATOM 12 CB ASP A 2 -1.198 1.150 -4.661 1.00 63.04 C ATOM 13 CG ASP A 2 -2.080 1.469 -3.470 1.00 61.13 C ATOM 14 OD1 ASP A 2 -1.937 2.573 -2.905 1.00 34.22 O ATOM 15 OD2 ASP A 2 -2.914 0.614 -3.103 1.00 0.23 O1- ATOM 0 HA ASP A 2 -0.411 -0.687 -3.869 1.00 71.35 H new ATOM 0 HB2 ASP A 2 -0.815 2.078 -5.085 1.00 63.04 H new ATOM 0 HB3 ASP A 2 -1.797 0.669 -5.434 1.00 63.04 H new ATOM 20 N ILE A 3 0.373 -1.148 -6.239 1.00 65.02 N ATOM 21 CA ILE A 3 1.061 -1.576 -7.451 1.00 62.21 C ATOM 22 C ILE A 3 0.630 -0.739 -8.651 1.00 1.00 C ATOM 23 O ILE A 3 -0.558 -0.648 -8.964 1.00 25.10 O ATOM 24 CB ILE A 3 0.798 -3.062 -7.754 1.00 4.52 C ATOM 25 CG1 ILE A 3 1.246 -3.932 -6.578 1.00 45.41 C ATOM 26 CG2 ILE A 3 1.514 -3.478 -9.030 1.00 31.14 C ATOM 27 CD1 ILE A 3 0.174 -4.127 -5.528 1.00 33.10 C ATOM 0 H ILE A 3 -0.434 -1.719 -5.988 1.00 65.02 H new ATOM 0 HA ILE A 3 2.127 -1.434 -7.276 1.00 62.21 H new ATOM 0 HB ILE A 3 -0.273 -3.203 -7.899 1.00 4.52 H new ATOM 0 HG12 ILE A 3 1.556 -4.907 -6.955 1.00 45.41 H new ATOM 0 HG13 ILE A 3 2.121 -3.478 -6.113 1.00 45.41 H new ATOM 0 HG21 ILE A 3 1.318 -4.531 -9.230 1.00 31.14 H new ATOM 0 HG22 ILE A 3 1.151 -2.876 -9.863 1.00 31.14 H new ATOM 0 HG23 ILE A 3 2.587 -3.325 -8.912 1.00 31.14 H new ATOM 0 HD11 ILE A 3 0.561 -4.754 -4.725 1.00 33.10 H new ATOM 0 HD12 ILE A 3 -0.120 -3.158 -5.123 1.00 33.10 H new ATOM 0 HD13 ILE A 3 -0.693 -4.610 -5.979 1.00 33.10 H new ATOM 39 N LYS A 4 1.603 -0.133 -9.323 1.00 42.23 N ATOM 40 CA LYS A 4 1.326 0.693 -10.493 1.00 60.33 C ATOM 41 C LYS A 4 0.909 -0.167 -11.681 1.00 34.13 C ATOM 42 O LYS A 4 1.528 -1.193 -11.965 1.00 0.02 O ATOM 43 CB LYS A 4 2.557 1.524 -10.859 1.00 0.52 C ATOM 44 CG LYS A 4 2.382 2.347 -12.124 1.00 53.23 C ATOM 45 CD LYS A 4 3.532 3.321 -12.319 1.00 21.10 C ATOM 46 CE LYS A 4 4.834 2.593 -12.620 1.00 14.23 C ATOM 47 NZ LYS A 4 5.837 3.492 -13.254 1.00 54.30 N1+ ATOM 0 H LYS A 4 2.591 -0.198 -9.078 1.00 42.23 H new ATOM 0 HA LYS A 4 0.503 1.363 -10.246 1.00 60.33 H new ATOM 0 HB2 LYS A 4 2.793 2.192 -10.031 1.00 0.52 H new ATOM 0 HB3 LYS A 4 3.410 0.858 -10.984 1.00 0.52 H new ATOM 0 HG2 LYS A 4 2.317 1.682 -12.985 1.00 53.23 H new ATOM 0 HG3 LYS A 4 1.442 2.897 -12.074 1.00 53.23 H new ATOM 0 HD2 LYS A 4 3.298 4.003 -13.136 1.00 21.10 H new ATOM 0 HD3 LYS A 4 3.652 3.928 -11.422 1.00 21.10 H new ATOM 0 HE2 LYS A 4 5.244 2.185 -11.696 1.00 14.23 H new ATOM 0 HE3 LYS A 4 4.634 1.749 -13.280 1.00 14.23 H new ATOM 0 HZ1 LYS A 4 6.710 2.959 -13.444 1.00 54.30 H new ATOM 0 HZ2 LYS A 4 5.456 3.861 -14.148 1.00 54.30 H new ATOM 0 HZ3 LYS A 4 6.047 4.284 -12.614 1.00 54.30 H new ATOM 61 N CYS A 5 -0.144 0.257 -12.373 1.00 10.41 N ATOM 62 CA CYS A 5 -0.643 -0.474 -13.531 1.00 21.11 C ATOM 63 C CYS A 5 -1.554 0.409 -14.380 1.00 1.33 C ATOM 64 O CYS A 5 -1.731 1.593 -14.093 1.00 73.11 O ATOM 65 CB CYS A 5 -1.401 -1.725 -13.082 1.00 60.55 C ATOM 66 SG CYS A 5 -2.745 -1.396 -11.898 1.00 4.21 S ATOM 0 H CYS A 5 -0.668 1.104 -12.151 1.00 10.41 H new ATOM 0 HA CYS A 5 0.212 -0.773 -14.137 1.00 21.11 H new ATOM 0 HB2 CYS A 5 -1.818 -2.219 -13.960 1.00 60.55 H new ATOM 0 HB3 CYS A 5 -0.695 -2.421 -12.629 1.00 60.55 H new ATOM 71 N SER A 6 -2.129 -0.176 -15.425 1.00 42.24 N ATOM 72 CA SER A 6 -3.019 0.557 -16.318 1.00 61.44 C ATOM 73 C SER A 6 -4.368 -0.145 -16.437 1.00 32.03 C ATOM 74 O SER A 6 -5.419 0.468 -16.253 1.00 63.32 O ATOM 75 CB SER A 6 -2.382 0.701 -17.701 1.00 50.22 C ATOM 76 OG SER A 6 -1.179 1.448 -17.633 1.00 20.54 O ATOM 0 H SER A 6 -1.995 -1.156 -15.675 1.00 42.24 H new ATOM 0 HA SER A 6 -3.182 1.549 -15.896 1.00 61.44 H new ATOM 0 HB2 SER A 6 -2.178 -0.286 -18.115 1.00 50.22 H new ATOM 0 HB3 SER A 6 -3.081 1.192 -18.378 1.00 50.22 H new ATOM 0 HG SER A 6 -0.790 1.524 -18.529 1.00 20.54 H new ATOM 82 N GLY A 7 -4.330 -1.438 -16.749 1.00 64.14 N ATOM 83 CA GLY A 7 -5.555 -2.203 -16.888 1.00 33.31 C ATOM 84 C GLY A 7 -5.927 -2.939 -15.617 1.00 44.41 C ATOM 85 O GLY A 7 -5.278 -2.776 -14.583 1.00 64.33 O ATOM 0 H GLY A 7 -3.473 -1.968 -16.908 1.00 64.14 H new ATOM 0 HA2 GLY A 7 -6.368 -1.533 -17.167 1.00 33.31 H new ATOM 0 HA3 GLY A 7 -5.441 -2.921 -17.700 1.00 33.31 H new ATOM 89 N THR A 8 -6.977 -3.752 -15.690 1.00 13.31 N ATOM 90 CA THR A 8 -7.435 -4.513 -14.536 1.00 70.34 C ATOM 91 C THR A 8 -6.576 -5.752 -14.316 1.00 24.33 C ATOM 92 O THR A 8 -6.022 -5.953 -13.235 1.00 53.31 O ATOM 93 CB THR A 8 -8.906 -4.944 -14.696 1.00 51.14 C ATOM 94 OG1 THR A 8 -9.630 -3.951 -15.430 1.00 73.14 O ATOM 95 CG2 THR A 8 -9.559 -5.155 -13.338 1.00 22.01 C ATOM 0 H THR A 8 -7.526 -3.900 -16.537 1.00 13.31 H new ATOM 0 HA THR A 8 -7.347 -3.856 -13.670 1.00 70.34 H new ATOM 0 HB THR A 8 -8.928 -5.887 -15.242 1.00 51.14 H new ATOM 0 HG1 THR A 8 -10.563 -4.233 -15.529 1.00 73.14 H new ATOM 0 HG21 THR A 8 -10.597 -5.459 -13.476 1.00 22.01 H new ATOM 0 HG22 THR A 8 -9.023 -5.932 -12.793 1.00 22.01 H new ATOM 0 HG23 THR A 8 -9.526 -4.225 -12.770 1.00 22.01 H new ATOM 103 N ARG A 9 -6.466 -6.581 -15.350 1.00 63.03 N ATOM 104 CA ARG A 9 -5.673 -7.802 -15.269 1.00 35.22 C ATOM 105 C ARG A 9 -4.267 -7.504 -14.758 1.00 62.21 C ATOM 106 O ARG A 9 -3.728 -8.239 -13.931 1.00 12.24 O ATOM 107 CB ARG A 9 -5.597 -8.477 -16.641 1.00 50.11 C ATOM 108 CG ARG A 9 -5.040 -7.578 -17.732 1.00 54.31 C ATOM 109 CD ARG A 9 -5.553 -7.984 -19.104 1.00 31.23 C ATOM 110 NE ARG A 9 -6.847 -7.378 -19.408 1.00 53.25 N ATOM 111 CZ ARG A 9 -6.996 -6.109 -19.774 1.00 74.41 C ATOM 112 NH1 ARG A 9 -5.936 -5.319 -19.882 1.00 43.15 N1+ ATOM 113 NH2 ARG A 9 -8.205 -5.630 -20.032 1.00 42.11 N ATOM 0 H ARG A 9 -6.916 -6.429 -16.253 1.00 63.03 H new ATOM 0 HA ARG A 9 -6.161 -8.477 -14.566 1.00 35.22 H new ATOM 0 HB2 ARG A 9 -4.975 -9.369 -16.564 1.00 50.11 H new ATOM 0 HB3 ARG A 9 -6.595 -8.808 -16.929 1.00 50.11 H new ATOM 0 HG2 ARG A 9 -5.318 -6.544 -17.530 1.00 54.31 H new ATOM 0 HG3 ARG A 9 -3.951 -7.623 -17.722 1.00 54.31 H new ATOM 0 HD2 ARG A 9 -4.828 -7.690 -19.863 1.00 31.23 H new ATOM 0 HD3 ARG A 9 -5.641 -9.069 -19.151 1.00 31.23 H new ATOM 0 HE ARG A 9 -7.681 -7.960 -19.335 1.00 53.25 H new ATOM 0 HH11 ARG A 9 -5.005 -5.685 -19.684 1.00 43.15 H new ATOM 0 HH12 ARG A 9 -6.052 -4.345 -20.163 1.00 43.15 H new ATOM 0 HH21 ARG A 9 -9.022 -6.235 -19.950 1.00 42.11 H new ATOM 0 HH22 ARG A 9 -8.318 -4.656 -20.313 1.00 42.11 H new ATOM 127 N GLN A 10 -3.679 -6.422 -15.258 1.00 2.21 N ATOM 128 CA GLN A 10 -2.334 -6.028 -14.853 1.00 65.23 C ATOM 129 C GLN A 10 -2.220 -5.966 -13.333 1.00 0.55 C ATOM 130 O GLN A 10 -1.151 -6.203 -12.770 1.00 51.15 O ATOM 131 CB GLN A 10 -1.973 -4.671 -15.459 1.00 4.11 C ATOM 132 CG GLN A 10 -1.496 -4.757 -16.900 1.00 74.01 C ATOM 133 CD GLN A 10 -0.649 -3.566 -17.307 1.00 42.22 C ATOM 134 OE1 GLN A 10 -0.921 -2.910 -18.312 1.00 13.10 O ATOM 135 NE2 GLN A 10 0.385 -3.280 -16.524 1.00 2.11 N ATOM 0 H GLN A 10 -4.112 -5.803 -15.943 1.00 2.21 H new ATOM 0 HA GLN A 10 -1.636 -6.780 -15.221 1.00 65.23 H new ATOM 0 HB2 GLN A 10 -2.844 -4.018 -15.412 1.00 4.11 H new ATOM 0 HB3 GLN A 10 -1.194 -4.208 -14.854 1.00 4.11 H new ATOM 0 HG2 GLN A 10 -0.918 -5.671 -17.033 1.00 74.01 H new ATOM 0 HG3 GLN A 10 -2.360 -4.827 -17.561 1.00 74.01 H new ATOM 0 HE21 GLN A 10 0.574 -3.851 -15.700 1.00 2.11 H new ATOM 0 HE22 GLN A 10 0.990 -2.490 -16.747 1.00 2.11 H new ATOM 144 N CYS A 11 -3.329 -5.645 -12.674 1.00 12.13 N ATOM 145 CA CYS A 11 -3.355 -5.551 -11.219 1.00 65.14 C ATOM 146 C CYS A 11 -3.548 -6.926 -10.589 1.00 41.34 C ATOM 147 O CYS A 11 -2.947 -7.239 -9.561 1.00 2.11 O ATOM 148 CB CYS A 11 -4.472 -4.608 -10.769 1.00 10.03 C ATOM 149 SG CYS A 11 -4.649 -4.478 -8.961 1.00 1.12 S ATOM 0 H CYS A 11 -4.222 -5.446 -13.125 1.00 12.13 H new ATOM 0 HA CYS A 11 -2.397 -5.152 -10.887 1.00 65.14 H new ATOM 0 HB2 CYS A 11 -4.282 -3.615 -11.177 1.00 10.03 H new ATOM 0 HB3 CYS A 11 -5.416 -4.951 -11.192 1.00 10.03 H new ATOM 154 N TRP A 12 -4.391 -7.743 -11.210 1.00 72.32 N ATOM 155 CA TRP A 12 -4.664 -9.085 -10.709 1.00 3.31 C ATOM 156 C TRP A 12 -3.371 -9.873 -10.531 1.00 33.15 C ATOM 157 O TRP A 12 -3.213 -10.613 -9.561 1.00 61.15 O ATOM 158 CB TRP A 12 -5.600 -9.827 -11.666 1.00 71.44 C ATOM 159 CG TRP A 12 -6.939 -9.171 -11.815 1.00 61.14 C ATOM 160 CD1 TRP A 12 -7.396 -8.077 -11.137 1.00 73.05 C ATOM 161 CD2 TRP A 12 -7.994 -9.569 -12.696 1.00 41.42 C ATOM 162 NE1 TRP A 12 -8.672 -7.771 -11.544 1.00 4.11 N ATOM 163 CE2 TRP A 12 -9.062 -8.671 -12.500 1.00 35.24 C ATOM 164 CE3 TRP A 12 -8.142 -10.596 -13.633 1.00 40.33 C ATOM 165 CZ2 TRP A 12 -10.258 -8.771 -13.206 1.00 42.32 C ATOM 166 CZ3 TRP A 12 -9.330 -10.694 -14.332 1.00 31.34 C ATOM 167 CH2 TRP A 12 -10.375 -9.786 -14.116 1.00 44.03 C ATOM 0 H TRP A 12 -4.897 -7.500 -12.061 1.00 72.32 H new ATOM 0 HA TRP A 12 -5.148 -8.992 -9.737 1.00 3.31 H new ATOM 0 HB2 TRP A 12 -5.126 -9.896 -12.645 1.00 71.44 H new ATOM 0 HB3 TRP A 12 -5.741 -10.847 -11.307 1.00 71.44 H new ATOM 0 HD1 TRP A 12 -6.837 -7.533 -10.391 1.00 73.05 H new ATOM 0 HE1 TRP A 12 -9.237 -6.999 -11.191 1.00 4.11 H new ATOM 0 HE3 TRP A 12 -7.342 -11.300 -13.807 1.00 40.33 H new ATOM 0 HZ2 TRP A 12 -11.065 -8.072 -13.041 1.00 42.32 H new ATOM 0 HZ3 TRP A 12 -9.455 -11.484 -15.057 1.00 31.34 H new ATOM 0 HH2 TRP A 12 -11.291 -9.889 -14.679 1.00 44.03 H new ATOM 178 N GLY A 13 -2.447 -9.708 -11.473 1.00 71.22 N ATOM 179 CA GLY A 13 -1.179 -10.411 -11.399 1.00 42.02 C ATOM 180 C GLY A 13 -0.507 -10.254 -10.050 1.00 40.21 C ATOM 181 O GLY A 13 -0.375 -11.209 -9.283 1.00 54.21 O ATOM 0 H GLY A 13 -2.554 -9.101 -12.285 1.00 71.22 H new ATOM 0 HA2 GLY A 13 -1.342 -11.470 -11.599 1.00 42.02 H new ATOM 0 HA3 GLY A 13 -0.514 -10.038 -12.178 1.00 42.02 H new ATOM 185 N PRO A 14 -0.067 -9.025 -9.742 1.00 4.43 N ATOM 186 CA PRO A 14 0.603 -8.717 -8.476 1.00 22.31 C ATOM 187 C PRO A 14 -0.348 -8.780 -7.286 1.00 31.34 C ATOM 188 O PRO A 14 0.070 -9.043 -6.157 1.00 32.04 O ATOM 189 CB PRO A 14 1.109 -7.286 -8.680 1.00 13.02 C ATOM 190 CG PRO A 14 0.194 -6.703 -9.701 1.00 33.44 C ATOM 191 CD PRO A 14 -0.192 -7.840 -10.607 1.00 22.03 C ATOM 0 HA PRO A 14 1.392 -9.434 -8.248 1.00 22.31 H new ATOM 0 HB2 PRO A 14 1.077 -6.719 -7.750 1.00 13.02 H new ATOM 0 HB3 PRO A 14 2.143 -7.277 -9.024 1.00 13.02 H new ATOM 0 HG2 PRO A 14 -0.685 -6.262 -9.231 1.00 33.44 H new ATOM 0 HG3 PRO A 14 0.688 -5.909 -10.260 1.00 33.44 H new ATOM 0 HD2 PRO A 14 -1.208 -7.725 -10.986 1.00 22.03 H new ATOM 0 HD3 PRO A 14 0.466 -7.904 -11.474 1.00 22.03 H new ATOM 199 N CYS A 15 -1.629 -8.539 -7.544 1.00 62.23 N ATOM 200 CA CYS A 15 -2.640 -8.569 -6.494 1.00 3.44 C ATOM 201 C CYS A 15 -2.792 -9.977 -5.926 1.00 30.12 C ATOM 202 O CYS A 15 -3.034 -10.153 -4.731 1.00 73.25 O ATOM 203 CB CYS A 15 -3.984 -8.079 -7.039 1.00 74.34 C ATOM 204 SG CYS A 15 -5.300 -7.975 -5.783 1.00 62.22 S ATOM 0 H CYS A 15 -1.992 -8.321 -8.472 1.00 62.23 H new ATOM 0 HA CYS A 15 -2.316 -7.906 -5.692 1.00 3.44 H new ATOM 0 HB2 CYS A 15 -3.846 -7.095 -7.488 1.00 74.34 H new ATOM 0 HB3 CYS A 15 -4.308 -8.750 -7.835 1.00 74.34 H new ATOM 209 N LYS A 16 -2.649 -10.977 -6.789 1.00 64.42 N ATOM 210 CA LYS A 16 -2.768 -12.369 -6.374 1.00 3.12 C ATOM 211 C LYS A 16 -1.651 -12.746 -5.406 1.00 25.42 C ATOM 212 O LYS A 16 -1.880 -13.443 -4.417 1.00 50.24 O ATOM 213 CB LYS A 16 -2.731 -13.292 -7.594 1.00 71.40 C ATOM 214 CG LYS A 16 -3.683 -14.472 -7.494 1.00 31.03 C ATOM 215 CD LYS A 16 -3.142 -15.546 -6.567 1.00 10.24 C ATOM 216 CE LYS A 16 -1.890 -16.195 -7.136 1.00 12.14 C ATOM 217 NZ LYS A 16 -0.661 -15.752 -6.420 1.00 44.01 N1+ ATOM 0 H LYS A 16 -2.450 -10.849 -7.781 1.00 64.42 H new ATOM 0 HA LYS A 16 -3.724 -12.489 -5.864 1.00 3.12 H new ATOM 0 HB2 LYS A 16 -2.976 -12.713 -8.485 1.00 71.40 H new ATOM 0 HB3 LYS A 16 -1.715 -13.665 -7.726 1.00 71.40 H new ATOM 0 HG2 LYS A 16 -4.652 -14.130 -7.130 1.00 31.03 H new ATOM 0 HG3 LYS A 16 -3.846 -14.894 -8.486 1.00 31.03 H new ATOM 0 HD2 LYS A 16 -2.916 -15.109 -5.594 1.00 10.24 H new ATOM 0 HD3 LYS A 16 -3.906 -16.307 -6.405 1.00 10.24 H new ATOM 0 HE2 LYS A 16 -1.980 -17.279 -7.067 1.00 12.14 H new ATOM 0 HE3 LYS A 16 -1.802 -15.949 -8.194 1.00 12.14 H new ATOM 0 HZ1 LYS A 16 0.001 -16.550 -6.340 1.00 44.01 H new ATOM 0 HZ2 LYS A 16 -0.210 -14.979 -6.950 1.00 44.01 H new ATOM 0 HZ3 LYS A 16 -0.915 -15.417 -5.469 1.00 44.01 H new ATOM 231 N LYS A 17 -0.440 -12.280 -5.696 1.00 20.43 N ATOM 232 CA LYS A 17 0.712 -12.565 -4.850 1.00 52.42 C ATOM 233 C LYS A 17 0.454 -12.128 -3.411 1.00 3.52 C ATOM 234 O LYS A 17 0.628 -12.908 -2.475 1.00 41.22 O ATOM 235 CB LYS A 17 1.957 -11.858 -5.392 1.00 61.20 C ATOM 236 CG LYS A 17 3.255 -12.568 -5.054 1.00 31.15 C ATOM 237 CD LYS A 17 3.443 -13.819 -5.896 1.00 5.45 C ATOM 238 CE LYS A 17 4.200 -13.518 -7.181 1.00 32.53 C ATOM 239 NZ LYS A 17 5.649 -13.285 -6.929 1.00 63.43 N1+ ATOM 0 H LYS A 17 -0.232 -11.703 -6.511 1.00 20.43 H new ATOM 0 HA LYS A 17 0.879 -13.642 -4.860 1.00 52.42 H new ATOM 0 HB2 LYS A 17 1.872 -11.770 -6.475 1.00 61.20 H new ATOM 0 HB3 LYS A 17 1.992 -10.845 -4.992 1.00 61.20 H new ATOM 0 HG2 LYS A 17 4.094 -11.891 -5.215 1.00 31.15 H new ATOM 0 HG3 LYS A 17 3.260 -12.836 -3.997 1.00 31.15 H new ATOM 0 HD2 LYS A 17 3.986 -14.568 -5.320 1.00 5.45 H new ATOM 0 HD3 LYS A 17 2.470 -14.246 -6.137 1.00 5.45 H new ATOM 0 HE2 LYS A 17 4.081 -14.349 -7.876 1.00 32.53 H new ATOM 0 HE3 LYS A 17 3.768 -12.639 -7.659 1.00 32.53 H new ATOM 0 HZ1 LYS A 17 6.165 -13.302 -7.832 1.00 63.43 H new ATOM 0 HZ2 LYS A 17 5.778 -12.359 -6.474 1.00 63.43 H new ATOM 0 HZ3 LYS A 17 6.017 -14.031 -6.305 1.00 63.43 H new ATOM 253 N GLN A 18 0.035 -10.878 -3.244 1.00 3.42 N ATOM 254 CA GLN A 18 -0.248 -10.339 -1.918 1.00 74.11 C ATOM 255 C GLN A 18 -1.541 -10.923 -1.358 1.00 31.40 C ATOM 256 O GLN A 18 -1.600 -11.329 -0.196 1.00 41.21 O ATOM 257 CB GLN A 18 -0.347 -8.814 -1.975 1.00 50.14 C ATOM 258 CG GLN A 18 0.992 -8.111 -1.818 1.00 1.24 C ATOM 259 CD GLN A 18 0.919 -6.634 -2.155 1.00 33.51 C ATOM 260 OE1 GLN A 18 1.724 -6.124 -2.933 1.00 40.45 O ATOM 261 NE2 GLN A 18 -0.049 -5.941 -1.569 1.00 65.50 N ATOM 0 H GLN A 18 -0.116 -10.220 -4.009 1.00 3.42 H new ATOM 0 HA GLN A 18 0.572 -10.619 -1.257 1.00 74.11 H new ATOM 0 HB2 GLN A 18 -0.792 -8.522 -2.926 1.00 50.14 H new ATOM 0 HB3 GLN A 18 -1.022 -8.472 -1.190 1.00 50.14 H new ATOM 0 HG2 GLN A 18 1.342 -8.229 -0.792 1.00 1.24 H new ATOM 0 HG3 GLN A 18 1.728 -8.591 -2.463 1.00 1.24 H new ATOM 0 HE21 GLN A 18 -0.694 -6.406 -0.930 1.00 65.50 H new ATOM 0 HE22 GLN A 18 -0.148 -4.943 -1.757 1.00 65.50 H new ATOM 270 N THR A 19 -2.576 -10.965 -2.191 1.00 31.11 N ATOM 271 CA THR A 19 -3.868 -11.499 -1.779 1.00 55.23 C ATOM 272 C THR A 19 -4.472 -12.378 -2.868 1.00 11.43 C ATOM 273 O THR A 19 -4.724 -11.920 -3.983 1.00 51.24 O ATOM 274 CB THR A 19 -4.859 -10.370 -1.439 1.00 50.44 C ATOM 275 OG1 THR A 19 -5.305 -9.730 -2.639 1.00 72.12 O ATOM 276 CG2 THR A 19 -4.215 -9.343 -0.519 1.00 74.11 C ATOM 0 H THR A 19 -2.544 -10.635 -3.156 1.00 31.11 H new ATOM 0 HA THR A 19 -3.692 -12.100 -0.887 1.00 55.23 H new ATOM 0 HB THR A 19 -5.713 -10.810 -0.925 1.00 50.44 H new ATOM 0 HG1 THR A 19 -4.952 -10.210 -3.417 1.00 72.12 H new ATOM 0 HG21 THR A 19 -4.934 -8.556 -0.293 1.00 74.11 H new ATOM 0 HG22 THR A 19 -3.905 -9.828 0.407 1.00 74.11 H new ATOM 0 HG23 THR A 19 -3.344 -8.909 -1.011 1.00 74.11 H new ATOM 284 N THR A 20 -4.703 -13.646 -2.538 1.00 61.13 N ATOM 285 CA THR A 20 -5.278 -14.590 -3.487 1.00 1.13 C ATOM 286 C THR A 20 -6.443 -13.966 -4.246 1.00 5.33 C ATOM 287 O THR A 20 -6.652 -14.250 -5.427 1.00 5.34 O ATOM 288 CB THR A 20 -5.766 -15.869 -2.782 1.00 61.25 C ATOM 289 OG1 THR A 20 -6.424 -15.532 -1.556 1.00 10.11 O ATOM 290 CG2 THR A 20 -4.602 -16.808 -2.497 1.00 3.31 C ATOM 0 H THR A 20 -4.500 -14.042 -1.620 1.00 61.13 H new ATOM 0 HA THR A 20 -4.488 -14.851 -4.191 1.00 1.13 H new ATOM 0 HB THR A 20 -6.468 -16.376 -3.443 1.00 61.25 H new ATOM 0 HG1 THR A 20 -6.733 -16.351 -1.115 1.00 10.11 H new ATOM 0 HG21 THR A 20 -4.971 -17.704 -1.999 1.00 3.31 H new ATOM 0 HG22 THR A 20 -4.121 -17.086 -3.435 1.00 3.31 H new ATOM 0 HG23 THR A 20 -3.879 -16.307 -1.853 1.00 3.31 H new ATOM 298 N CYS A 21 -7.200 -13.114 -3.563 1.00 64.14 N ATOM 299 CA CYS A 21 -8.345 -12.449 -4.173 1.00 5.11 C ATOM 300 C CYS A 21 -7.890 -11.417 -5.201 1.00 40.40 C ATOM 301 O CYS A 21 -7.553 -10.284 -4.854 1.00 21.12 O ATOM 302 CB CYS A 21 -9.200 -11.774 -3.099 1.00 1.52 C ATOM 303 SG CYS A 21 -10.262 -12.921 -2.164 1.00 50.33 S ATOM 0 H CYS A 21 -7.041 -12.868 -2.586 1.00 64.14 H new ATOM 0 HA CYS A 21 -8.944 -13.204 -4.683 1.00 5.11 H new ATOM 0 HB2 CYS A 21 -8.544 -11.253 -2.402 1.00 1.52 H new ATOM 0 HB3 CYS A 21 -9.827 -11.018 -3.571 1.00 1.52 H new ATOM 308 N THR A 22 -7.884 -11.816 -6.469 1.00 14.00 N ATOM 309 CA THR A 22 -7.470 -10.926 -7.548 1.00 51.41 C ATOM 310 C THR A 22 -8.452 -9.771 -7.715 1.00 53.53 C ATOM 311 O THR A 22 -8.096 -8.712 -8.230 1.00 3.31 O ATOM 312 CB THR A 22 -7.352 -11.682 -8.885 1.00 73.14 C ATOM 313 OG1 THR A 22 -8.374 -12.680 -8.976 1.00 3.21 O ATOM 314 CG2 THR A 22 -5.984 -12.337 -9.017 1.00 14.31 C ATOM 0 H THR A 22 -8.161 -12.749 -6.774 1.00 14.00 H new ATOM 0 HA THR A 22 -6.492 -10.531 -7.275 1.00 51.41 H new ATOM 0 HB THR A 22 -7.474 -10.963 -9.695 1.00 73.14 H new ATOM 0 HG1 THR A 22 -8.293 -13.155 -9.830 1.00 3.21 H new ATOM 0 HG21 THR A 22 -5.924 -12.865 -9.969 1.00 14.31 H new ATOM 0 HG22 THR A 22 -5.209 -11.572 -8.977 1.00 14.31 H new ATOM 0 HG23 THR A 22 -5.839 -13.044 -8.200 1.00 14.31 H new ATOM 322 N ASN A 23 -9.688 -9.983 -7.277 1.00 53.41 N ATOM 323 CA ASN A 23 -10.721 -8.959 -7.378 1.00 34.21 C ATOM 324 C ASN A 23 -10.204 -7.613 -6.878 1.00 20.55 C ATOM 325 O ASN A 23 -10.060 -7.401 -5.675 1.00 5.23 O ATOM 326 CB ASN A 23 -11.959 -9.372 -6.578 1.00 61.22 C ATOM 327 CG ASN A 23 -13.230 -8.746 -7.117 1.00 4.53 C ATOM 328 OD1 ASN A 23 -13.752 -9.166 -8.151 1.00 12.23 O ATOM 329 ND2 ASN A 23 -13.736 -7.738 -6.418 1.00 73.14 N ATOM 0 H ASN A 23 -9.999 -10.855 -6.849 1.00 53.41 H new ATOM 0 HA ASN A 23 -10.993 -8.856 -8.428 1.00 34.21 H new ATOM 0 HB2 ASN A 23 -12.055 -10.458 -6.597 1.00 61.22 H new ATOM 0 HB3 ASN A 23 -11.828 -9.082 -5.535 1.00 61.22 H new ATOM 0 HD21 ASN A 23 -14.591 -7.278 -6.732 1.00 73.14 H new ATOM 0 HD22 ASN A 23 -13.270 -7.423 -5.567 1.00 73.14 H new ATOM 336 N SER A 24 -9.928 -6.709 -7.812 1.00 54.05 N ATOM 337 CA SER A 24 -9.424 -5.384 -7.466 1.00 34.31 C ATOM 338 C SER A 24 -9.820 -4.359 -8.525 1.00 44.51 C ATOM 339 O SER A 24 -10.417 -4.702 -9.546 1.00 53.52 O ATOM 340 CB SER A 24 -7.902 -5.417 -7.318 1.00 75.00 C ATOM 341 OG SER A 24 -7.412 -4.188 -6.812 1.00 22.34 O ATOM 0 H SER A 24 -10.044 -6.869 -8.813 1.00 54.05 H new ATOM 0 HA SER A 24 -9.869 -5.090 -6.515 1.00 34.31 H new ATOM 0 HB2 SER A 24 -7.616 -6.229 -6.649 1.00 75.00 H new ATOM 0 HB3 SER A 24 -7.444 -5.624 -8.285 1.00 75.00 H new ATOM 0 HG SER A 24 -8.016 -3.857 -6.115 1.00 22.34 H new ATOM 347 N LYS A 25 -9.484 -3.099 -8.273 1.00 3.11 N ATOM 348 CA LYS A 25 -9.803 -2.021 -9.203 1.00 42.00 C ATOM 349 C LYS A 25 -8.607 -1.092 -9.389 1.00 25.42 C ATOM 350 O LYS A 25 -8.147 -0.457 -8.439 1.00 61.41 O ATOM 351 CB LYS A 25 -11.008 -1.224 -8.699 1.00 42.44 C ATOM 352 CG LYS A 25 -11.961 -0.800 -9.802 1.00 20.30 C ATOM 353 CD LYS A 25 -11.614 0.578 -10.340 1.00 61.22 C ATOM 354 CE LYS A 25 -12.286 1.678 -9.531 1.00 34.25 C ATOM 355 NZ LYS A 25 -13.764 1.675 -9.713 1.00 70.51 N1+ ATOM 0 H LYS A 25 -8.991 -2.798 -7.432 1.00 3.11 H new ATOM 0 HA LYS A 25 -10.048 -2.467 -10.167 1.00 42.00 H new ATOM 0 HB2 LYS A 25 -11.552 -1.826 -7.971 1.00 42.44 H new ATOM 0 HB3 LYS A 25 -10.653 -0.336 -8.176 1.00 42.44 H new ATOM 0 HG2 LYS A 25 -11.927 -1.527 -10.613 1.00 20.30 H new ATOM 0 HG3 LYS A 25 -12.982 -0.796 -9.420 1.00 20.30 H new ATOM 0 HD2 LYS A 25 -10.533 0.717 -10.317 1.00 61.22 H new ATOM 0 HD3 LYS A 25 -11.923 0.651 -11.383 1.00 61.22 H new ATOM 0 HE2 LYS A 25 -12.050 1.548 -8.475 1.00 34.25 H new ATOM 0 HE3 LYS A 25 -11.885 2.646 -9.831 1.00 34.25 H new ATOM 0 HZ1 LYS A 25 -14.143 2.618 -9.491 1.00 70.51 H new ATOM 0 HZ2 LYS A 25 -13.992 1.434 -10.699 1.00 70.51 H new ATOM 0 HZ3 LYS A 25 -14.191 0.972 -9.077 1.00 70.51 H new ATOM 369 N CYS A 26 -8.109 -1.015 -10.619 1.00 32.25 N ATOM 370 CA CYS A 26 -6.968 -0.163 -10.930 1.00 41.13 C ATOM 371 C CYS A 26 -7.423 1.256 -11.260 1.00 2.13 C ATOM 372 O CYS A 26 -7.907 1.523 -12.360 1.00 2.40 O ATOM 373 CB CYS A 26 -6.178 -0.744 -12.105 1.00 14.14 C ATOM 374 SG CYS A 26 -4.419 -0.268 -12.125 1.00 22.13 S ATOM 0 H CYS A 26 -8.478 -1.533 -11.416 1.00 32.25 H new ATOM 0 HA CYS A 26 -6.324 -0.124 -10.051 1.00 41.13 H new ATOM 0 HB2 CYS A 26 -6.249 -1.831 -12.075 1.00 14.14 H new ATOM 0 HB3 CYS A 26 -6.642 -0.420 -13.037 1.00 14.14 H new ATOM 379 N MET A 27 -7.263 2.160 -10.300 1.00 14.44 N ATOM 380 CA MET A 27 -7.656 3.552 -10.489 1.00 2.23 C ATOM 381 C MET A 27 -6.492 4.491 -10.185 1.00 31.21 C ATOM 382 O MET A 27 -5.762 4.295 -9.215 1.00 4.41 O ATOM 383 CB MET A 27 -8.849 3.894 -9.595 1.00 42.02 C ATOM 384 CG MET A 27 -8.551 3.762 -8.109 1.00 64.14 C ATOM 385 SD MET A 27 -10.017 4.002 -7.084 1.00 13.43 S ATOM 386 CE MET A 27 -10.021 2.480 -6.140 1.00 12.31 C ATOM 0 H MET A 27 -6.864 1.955 -9.384 1.00 14.44 H new ATOM 0 HA MET A 27 -7.944 3.684 -11.532 1.00 2.23 H new ATOM 0 HB2 MET A 27 -9.169 4.915 -9.804 1.00 42.02 H new ATOM 0 HB3 MET A 27 -9.683 3.240 -9.850 1.00 42.02 H new ATOM 0 HG2 MET A 27 -8.132 2.775 -7.912 1.00 64.14 H new ATOM 0 HG3 MET A 27 -7.792 4.492 -7.828 1.00 64.14 H new ATOM 0 HE1 MET A 27 -10.871 2.477 -5.458 1.00 12.31 H new ATOM 0 HE2 MET A 27 -10.098 1.631 -6.819 1.00 12.31 H new ATOM 0 HE3 MET A 27 -9.096 2.404 -5.568 1.00 12.31 H new ATOM 396 N ASN A 28 -6.327 5.510 -11.022 1.00 52.54 N ATOM 397 CA ASN A 28 -5.251 6.479 -10.843 1.00 2.02 C ATOM 398 C ASN A 28 -3.888 5.799 -10.925 1.00 30.13 C ATOM 399 O ASN A 28 -2.951 6.177 -10.222 1.00 54.41 O ATOM 400 CB ASN A 28 -5.398 7.192 -9.498 1.00 14.20 C ATOM 401 CG ASN A 28 -6.817 7.666 -9.246 1.00 24.05 C ATOM 402 OD1 ASN A 28 -7.698 6.875 -8.912 1.00 41.04 O ATOM 403 ND2 ASN A 28 -7.043 8.965 -9.407 1.00 74.35 N ATOM 0 H ASN A 28 -6.924 5.686 -11.830 1.00 52.54 H new ATOM 0 HA ASN A 28 -5.319 7.214 -11.645 1.00 2.02 H new ATOM 0 HB2 ASN A 28 -5.096 6.517 -8.697 1.00 14.20 H new ATOM 0 HB3 ASN A 28 -4.722 8.046 -9.467 1.00 14.20 H new ATOM 0 HD21 ASN A 28 -7.978 9.343 -9.253 1.00 74.35 H new ATOM 0 HD22 ASN A 28 -6.282 9.584 -9.685 1.00 74.35 H new ATOM 410 N GLY A 29 -3.785 4.794 -11.788 1.00 74.33 N ATOM 411 CA GLY A 29 -2.533 4.078 -11.947 1.00 71.42 C ATOM 412 C GLY A 29 -2.078 3.412 -10.663 1.00 42.04 C ATOM 413 O GLY A 29 -0.885 3.189 -10.458 1.00 24.02 O ATOM 0 H GLY A 29 -4.546 4.462 -12.380 1.00 74.33 H new ATOM 0 HA2 GLY A 29 -2.647 3.322 -12.724 1.00 71.42 H new ATOM 0 HA3 GLY A 29 -1.763 4.771 -12.286 1.00 71.42 H new ATOM 417 N LYS A 30 -3.032 3.096 -9.793 1.00 63.53 N ATOM 418 CA LYS A 30 -2.725 2.452 -8.521 1.00 43.44 C ATOM 419 C LYS A 30 -3.547 1.179 -8.343 1.00 71.13 C ATOM 420 O LYS A 30 -4.685 1.095 -8.802 1.00 11.40 O ATOM 421 CB LYS A 30 -2.996 3.414 -7.361 1.00 33.24 C ATOM 422 CG LYS A 30 -2.448 4.812 -7.589 1.00 74.01 C ATOM 423 CD LYS A 30 -2.049 5.474 -6.280 1.00 25.24 C ATOM 424 CE LYS A 30 -1.440 6.848 -6.515 1.00 11.40 C ATOM 425 NZ LYS A 30 -0.936 7.454 -5.251 1.00 10.43 N1+ ATOM 0 H LYS A 30 -4.024 3.276 -9.946 1.00 63.53 H new ATOM 0 HA LYS A 30 -1.669 2.183 -8.523 1.00 43.44 H new ATOM 0 HB2 LYS A 30 -4.072 3.477 -7.196 1.00 33.24 H new ATOM 0 HB3 LYS A 30 -2.557 3.005 -6.451 1.00 33.24 H new ATOM 0 HG2 LYS A 30 -1.583 4.762 -8.251 1.00 74.01 H new ATOM 0 HG3 LYS A 30 -3.199 5.421 -8.092 1.00 74.01 H new ATOM 0 HD2 LYS A 30 -2.924 5.567 -5.637 1.00 25.24 H new ATOM 0 HD3 LYS A 30 -1.333 4.842 -5.755 1.00 25.24 H new ATOM 0 HE2 LYS A 30 -0.621 6.765 -7.230 1.00 11.40 H new ATOM 0 HE3 LYS A 30 -2.187 7.505 -6.960 1.00 11.40 H new ATOM 0 HZ1 LYS A 30 -0.529 8.389 -5.453 1.00 10.43 H new ATOM 0 HZ2 LYS A 30 -1.722 7.557 -4.578 1.00 10.43 H new ATOM 0 HZ3 LYS A 30 -0.205 6.840 -4.839 1.00 10.43 H new ATOM 439 N CYS A 31 -2.963 0.193 -7.673 1.00 43.43 N ATOM 440 CA CYS A 31 -3.640 -1.076 -7.432 1.00 4.11 C ATOM 441 C CYS A 31 -4.095 -1.183 -5.980 1.00 40.43 C ATOM 442 O CYS A 31 -3.278 -1.166 -5.058 1.00 21.25 O ATOM 443 CB CYS A 31 -2.715 -2.245 -7.776 1.00 55.25 C ATOM 444 SG CYS A 31 -3.456 -3.885 -7.497 1.00 65.24 S ATOM 0 H CYS A 31 -2.021 0.248 -7.286 1.00 43.43 H new ATOM 0 HA CYS A 31 -4.520 -1.117 -8.074 1.00 4.11 H new ATOM 0 HB2 CYS A 31 -2.419 -2.165 -8.822 1.00 55.25 H new ATOM 0 HB3 CYS A 31 -1.806 -2.163 -7.180 1.00 55.25 H new ATOM 449 N LYS A 32 -5.405 -1.292 -5.783 1.00 74.21 N ATOM 450 CA LYS A 32 -5.971 -1.404 -4.443 1.00 53.14 C ATOM 451 C LYS A 32 -6.750 -2.705 -4.288 1.00 52.43 C ATOM 452 O LYS A 32 -7.914 -2.794 -4.679 1.00 3.45 O ATOM 453 CB LYS A 32 -6.884 -0.211 -4.152 1.00 62.41 C ATOM 454 CG LYS A 32 -7.706 -0.369 -2.885 1.00 24.11 C ATOM 455 CD LYS A 32 -6.822 -0.630 -1.676 1.00 63.34 C ATOM 456 CE LYS A 32 -5.869 0.529 -1.423 1.00 71.20 C ATOM 457 NZ LYS A 32 -6.595 1.817 -1.251 1.00 24.04 N1+ ATOM 0 H LYS A 32 -6.095 -1.305 -6.534 1.00 74.21 H new ATOM 0 HA LYS A 32 -5.149 -1.407 -3.727 1.00 53.14 H new ATOM 0 HB2 LYS A 32 -6.276 0.690 -4.070 1.00 62.41 H new ATOM 0 HB3 LYS A 32 -7.558 -0.065 -4.996 1.00 62.41 H new ATOM 0 HG2 LYS A 32 -8.296 0.532 -2.718 1.00 24.11 H new ATOM 0 HG3 LYS A 32 -8.410 -1.192 -3.007 1.00 24.11 H new ATOM 0 HD2 LYS A 32 -7.445 -0.789 -0.796 1.00 63.34 H new ATOM 0 HD3 LYS A 32 -6.251 -1.545 -1.832 1.00 63.34 H new ATOM 0 HE2 LYS A 32 -5.277 0.324 -0.531 1.00 71.20 H new ATOM 0 HE3 LYS A 32 -5.171 0.614 -2.256 1.00 71.20 H new ATOM 0 HZ1 LYS A 32 -5.950 2.528 -0.851 1.00 24.04 H new ATOM 0 HZ2 LYS A 32 -6.943 2.145 -2.174 1.00 24.04 H new ATOM 0 HZ3 LYS A 32 -7.400 1.679 -0.607 1.00 24.04 H new ATOM 471 N CYS A 33 -6.102 -3.713 -3.714 1.00 32.12 N ATOM 472 CA CYS A 33 -6.734 -5.011 -3.508 1.00 63.03 C ATOM 473 C CYS A 33 -7.941 -4.885 -2.581 1.00 61.42 C ATOM 474 O CYS A 33 -7.921 -4.117 -1.619 1.00 15.41 O ATOM 475 CB CYS A 33 -5.729 -6.004 -2.921 1.00 75.43 C ATOM 476 SG CYS A 33 -4.701 -6.843 -4.169 1.00 63.24 S ATOM 0 H CYS A 33 -5.139 -3.656 -3.383 1.00 32.12 H new ATOM 0 HA CYS A 33 -7.076 -5.379 -4.475 1.00 63.03 H new ATOM 0 HB2 CYS A 33 -5.078 -5.477 -2.224 1.00 75.43 H new ATOM 0 HB3 CYS A 33 -6.270 -6.756 -2.346 1.00 75.43 H new ATOM 481 N TYR A 34 -8.988 -5.645 -2.878 1.00 11.34 N ATOM 482 CA TYR A 34 -10.204 -5.618 -2.074 1.00 13.21 C ATOM 483 C TYR A 34 -10.124 -6.627 -0.932 1.00 65.13 C ATOM 484 O TYR A 34 -10.627 -6.383 0.164 1.00 3.32 O ATOM 485 CB TYR A 34 -11.425 -5.915 -2.947 1.00 53.31 C ATOM 486 CG TYR A 34 -11.955 -4.703 -3.678 1.00 31.41 C ATOM 487 CD1 TYR A 34 -11.149 -3.988 -4.555 1.00 74.15 C ATOM 488 CD2 TYR A 34 -13.262 -4.270 -3.491 1.00 73.21 C ATOM 489 CE1 TYR A 34 -11.629 -2.879 -5.225 1.00 23.02 C ATOM 490 CE2 TYR A 34 -13.751 -3.164 -4.157 1.00 71.21 C ATOM 491 CZ TYR A 34 -12.931 -2.471 -5.022 1.00 70.55 C ATOM 492 OH TYR A 34 -13.413 -1.367 -5.687 1.00 44.45 O ATOM 0 H TYR A 34 -9.020 -6.288 -3.670 1.00 11.34 H new ATOM 0 HA TYR A 34 -10.305 -4.620 -1.647 1.00 13.21 H new ATOM 0 HB2 TYR A 34 -11.163 -6.682 -3.675 1.00 53.31 H new ATOM 0 HB3 TYR A 34 -12.217 -6.327 -2.322 1.00 53.31 H new ATOM 0 HD1 TYR A 34 -10.129 -4.305 -4.716 1.00 74.15 H new ATOM 0 HD2 TYR A 34 -13.907 -4.808 -2.812 1.00 73.21 H new ATOM 0 HE1 TYR A 34 -10.989 -2.335 -5.904 1.00 23.02 H new ATOM 0 HE2 TYR A 34 -14.770 -2.843 -4.001 1.00 71.21 H new ATOM 0 HH TYR A 34 -14.347 -1.215 -5.434 1.00 44.45 H new ATOM 502 N GLY A 35 -9.489 -7.765 -1.199 1.00 60.11 N ATOM 503 CA GLY A 35 -9.353 -8.794 -0.185 1.00 31.44 C ATOM 504 C GLY A 35 -10.613 -9.623 -0.029 1.00 22.31 C ATOM 505 O GLY A 35 -11.702 -9.187 -0.400 1.00 24.14 O ATOM 0 H GLY A 35 -9.067 -7.992 -2.099 1.00 60.11 H new ATOM 0 HA2 GLY A 35 -8.521 -9.448 -0.445 1.00 31.44 H new ATOM 0 HA3 GLY A 35 -9.107 -8.329 0.770 1.00 31.44 H new ATOM 509 N CYS A 36 -10.464 -10.825 0.518 1.00 75.53 N ATOM 510 CA CYS A 36 -11.598 -11.720 0.720 1.00 65.11 C ATOM 511 C CYS A 36 -12.449 -11.260 1.900 1.00 41.33 C ATOM 512 O CYS A 36 -11.990 -11.246 3.043 1.00 10.24 O ATOM 513 CB CYS A 36 -11.110 -13.150 0.955 1.00 42.43 C ATOM 514 SG CYS A 36 -10.028 -13.792 -0.361 1.00 34.34 S ATOM 0 H CYS A 36 -9.569 -11.202 0.829 1.00 75.53 H new ATOM 0 HA CYS A 36 -12.213 -11.697 -0.180 1.00 65.11 H new ATOM 0 HB2 CYS A 36 -10.573 -13.188 1.903 1.00 42.43 H new ATOM 0 HB3 CYS A 36 -11.975 -13.806 1.052 1.00 42.43 H new ATOM 519 N VAL A 37 -13.693 -10.885 1.616 1.00 53.23 N ATOM 520 CA VAL A 37 -14.609 -10.428 2.653 1.00 44.41 C ATOM 521 C VAL A 37 -15.651 -11.492 2.975 1.00 14.31 C ATOM 522 O VAL A 37 -16.489 -11.309 3.857 1.00 1.24 O ATOM 523 CB VAL A 37 -15.328 -9.132 2.234 1.00 11.13 C ATOM 524 CG1 VAL A 37 -14.336 -7.985 2.113 1.00 21.55 C ATOM 525 CG2 VAL A 37 -16.078 -9.338 0.926 1.00 35.32 C ATOM 0 H VAL A 37 -14.089 -10.889 0.676 1.00 53.23 H new ATOM 0 HA VAL A 37 -14.009 -10.232 3.541 1.00 44.41 H new ATOM 0 HB VAL A 37 -16.053 -8.874 3.006 1.00 11.13 H new ATOM 0 HG11 VAL A 37 -14.863 -7.078 1.816 1.00 21.55 H new ATOM 0 HG12 VAL A 37 -13.848 -7.823 3.074 1.00 21.55 H new ATOM 0 HG13 VAL A 37 -13.585 -8.231 1.362 1.00 21.55 H new ATOM 0 HG21 VAL A 37 -16.580 -8.412 0.645 1.00 35.32 H new ATOM 0 HG22 VAL A 37 -15.374 -9.621 0.144 1.00 35.32 H new ATOM 0 HG23 VAL A 37 -16.818 -10.129 1.051 1.00 35.32 H new