USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 459 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 146 TYR OH : rot -87:sc= 0.131 USER MOD Single : A 151 GLN : amide:sc= -0.516 K(o=-0.52,f=-3.9!) USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 ASN : amide:sc= -0.0955 X(o=-0.096,f=0) USER MOD Single : A 175 THR OG1 : rot 180:sc= 0 USER MOD Single : A 178 THR OG1 : rot 180:sc= -0.265 USER MOD Single : A 186 TYR OH : rot 180:sc= 0 USER MOD Single : A 193 MET CE :methyl -171:sc= -0.882 (180deg=-1.12) USER MOD Single : A 196 SER OG : rot 180:sc= 0 USER MOD Single : A 201 ASN :FLIP amide:sc= -1.04 F(o=-5.3,f=-1) USER MOD ----------------------------------------------------------------- ATOM 40 N TYR A 146 5.612 -2.874 -6.799 1.00 0.00 N ATOM 41 CA TYR A 146 4.303 -3.313 -6.241 1.00 0.00 C ATOM 42 C TYR A 146 3.259 -2.219 -6.457 1.00 0.00 C ATOM 43 O TYR A 146 3.564 -1.042 -6.439 1.00 0.00 O ATOM 44 CB TYR A 146 4.438 -3.557 -4.738 1.00 0.00 C ATOM 45 CG TYR A 146 5.152 -4.856 -4.468 1.00 0.00 C ATOM 46 CD1 TYR A 146 4.931 -5.978 -5.278 1.00 0.00 C ATOM 47 CD2 TYR A 146 6.023 -4.940 -3.379 1.00 0.00 C ATOM 48 CE1 TYR A 146 5.588 -7.181 -4.997 1.00 0.00 C ATOM 49 CE2 TYR A 146 6.678 -6.140 -3.095 1.00 0.00 C ATOM 50 CZ TYR A 146 6.463 -7.264 -3.905 1.00 0.00 C ATOM 51 OH TYR A 146 7.109 -8.451 -3.624 1.00 0.00 O ATOM 0 HA TYR A 146 3.997 -4.230 -6.744 1.00 0.00 H new ATOM 0 HB2 TYR A 146 4.986 -2.734 -4.279 1.00 0.00 H new ATOM 0 HB3 TYR A 146 3.450 -3.578 -4.278 1.00 0.00 H new ATOM 0 HD1 TYR A 146 4.255 -5.914 -6.118 1.00 0.00 H new ATOM 0 HD2 TYR A 146 6.190 -4.074 -2.755 1.00 0.00 H new ATOM 0 HE1 TYR A 146 5.421 -8.046 -5.622 1.00 0.00 H new ATOM 0 HE2 TYR A 146 7.350 -6.202 -2.252 1.00 0.00 H new ATOM 0 HH TYR A 146 6.539 -9.006 -3.051 1.00 0.00 H new ATOM 61 N ARG A 147 2.025 -2.597 -6.641 1.00 0.00 N ATOM 62 CA ARG A 147 0.959 -1.576 -6.837 1.00 0.00 C ATOM 63 C ARG A 147 0.597 -0.973 -5.478 1.00 0.00 C ATOM 64 O ARG A 147 -0.302 -1.434 -4.802 1.00 0.00 O ATOM 65 CB ARG A 147 -0.274 -2.237 -7.451 1.00 0.00 C ATOM 66 CG ARG A 147 -0.247 -2.054 -8.969 1.00 0.00 C ATOM 67 CD ARG A 147 -1.196 -0.922 -9.364 1.00 0.00 C ATOM 68 NE ARG A 147 -0.655 0.375 -8.870 1.00 0.00 N ATOM 69 CZ ARG A 147 -0.258 1.283 -9.719 1.00 0.00 C ATOM 70 NH1 ARG A 147 -1.125 2.091 -10.264 1.00 0.00 N ATOM 71 NH2 ARG A 147 1.008 1.382 -10.023 1.00 0.00 N ATOM 0 H ARG A 147 1.709 -3.567 -6.664 1.00 0.00 H new ATOM 0 HA ARG A 147 1.314 -0.792 -7.506 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -0.293 -3.298 -7.202 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -1.181 -1.796 -7.037 1.00 0.00 H new ATOM 0 HG2 ARG A 147 0.766 -1.826 -9.300 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -0.543 -2.980 -9.463 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -1.311 -0.891 -10.447 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -2.186 -1.099 -8.943 1.00 0.00 H new ATOM 0 HE ARG A 147 -0.595 0.553 -7.868 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -2.114 2.013 -10.027 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -0.814 2.801 -10.928 1.00 0.00 H new ATOM 0 HH21 ARG A 147 1.686 0.750 -9.597 1.00 0.00 H new ATOM 0 HH22 ARG A 147 1.319 2.091 -10.687 1.00 0.00 H new ATOM 85 N GLY A 148 1.294 0.053 -5.071 1.00 0.00 N ATOM 86 CA GLY A 148 0.994 0.683 -3.755 1.00 0.00 C ATOM 87 C GLY A 148 2.264 0.730 -2.900 1.00 0.00 C ATOM 88 O GLY A 148 2.205 0.840 -1.692 1.00 0.00 O ATOM 0 H GLY A 148 2.058 0.482 -5.593 1.00 0.00 H new ATOM 0 HA2 GLY A 148 0.608 1.691 -3.904 1.00 0.00 H new ATOM 0 HA3 GLY A 148 0.218 0.117 -3.239 1.00 0.00 H new ATOM 92 N VAL A 149 3.415 0.647 -3.513 1.00 0.00 N ATOM 93 CA VAL A 149 4.681 0.689 -2.727 1.00 0.00 C ATOM 94 C VAL A 149 5.701 1.571 -3.450 1.00 0.00 C ATOM 95 O VAL A 149 6.234 1.207 -4.479 1.00 0.00 O ATOM 96 CB VAL A 149 5.243 -0.724 -2.584 1.00 0.00 C ATOM 97 CG1 VAL A 149 6.493 -0.690 -1.703 1.00 0.00 C ATOM 98 CG2 VAL A 149 4.191 -1.622 -1.936 1.00 0.00 C ATOM 0 H VAL A 149 3.532 0.552 -4.522 1.00 0.00 H new ATOM 0 HA VAL A 149 4.479 1.100 -1.738 1.00 0.00 H new ATOM 0 HB VAL A 149 5.503 -1.114 -3.568 1.00 0.00 H new ATOM 0 HG11 VAL A 149 6.894 -1.698 -1.601 1.00 0.00 H new ATOM 0 HG12 VAL A 149 7.244 -0.046 -2.161 1.00 0.00 H new ATOM 0 HG13 VAL A 149 6.234 -0.301 -0.718 1.00 0.00 H new ATOM 0 HG21 VAL A 149 4.588 -2.632 -1.832 1.00 0.00 H new ATOM 0 HG22 VAL A 149 3.934 -1.230 -0.952 1.00 0.00 H new ATOM 0 HG23 VAL A 149 3.298 -1.646 -2.561 1.00 0.00 H new ATOM 108 N ARG A 150 5.978 2.725 -2.913 1.00 0.00 N ATOM 109 CA ARG A 150 6.968 3.634 -3.560 1.00 0.00 C ATOM 110 C ARG A 150 8.376 3.225 -3.128 1.00 0.00 C ATOM 111 O ARG A 150 8.658 3.095 -1.956 1.00 0.00 O ATOM 112 CB ARG A 150 6.696 5.077 -3.126 1.00 0.00 C ATOM 113 CG ARG A 150 7.522 6.037 -3.986 1.00 0.00 C ATOM 114 CD ARG A 150 6.594 7.058 -4.649 1.00 0.00 C ATOM 115 NE ARG A 150 7.200 7.525 -5.928 1.00 0.00 N ATOM 116 CZ ARG A 150 7.449 8.795 -6.108 1.00 0.00 C ATOM 117 NH1 ARG A 150 6.473 9.661 -6.087 1.00 0.00 N ATOM 118 NH2 ARG A 150 8.673 9.196 -6.310 1.00 0.00 N ATOM 0 H ARG A 150 5.562 3.080 -2.052 1.00 0.00 H new ATOM 0 HA ARG A 150 6.881 3.563 -4.644 1.00 0.00 H new ATOM 0 HB2 ARG A 150 5.635 5.304 -3.227 1.00 0.00 H new ATOM 0 HB3 ARG A 150 6.950 5.205 -2.074 1.00 0.00 H new ATOM 0 HG2 ARG A 150 8.262 6.549 -3.370 1.00 0.00 H new ATOM 0 HG3 ARG A 150 8.070 5.481 -4.746 1.00 0.00 H new ATOM 0 HD2 ARG A 150 5.619 6.609 -4.839 1.00 0.00 H new ATOM 0 HD3 ARG A 150 6.431 7.904 -3.981 1.00 0.00 H new ATOM 0 HE ARG A 150 7.420 6.853 -6.663 1.00 0.00 H new ATOM 0 HH11 ARG A 150 5.515 9.347 -5.930 1.00 0.00 H new ATOM 0 HH12 ARG A 150 6.668 10.652 -6.228 1.00 0.00 H new ATOM 0 HH21 ARG A 150 9.435 8.519 -6.327 1.00 0.00 H new ATOM 0 HH22 ARG A 150 8.868 10.187 -6.451 1.00 0.00 H new ATOM 132 N GLN A 151 9.260 3.014 -4.064 1.00 0.00 N ATOM 133 CA GLN A 151 10.645 2.604 -3.695 1.00 0.00 C ATOM 134 C GLN A 151 11.600 3.788 -3.856 1.00 0.00 C ATOM 135 O GLN A 151 11.436 4.619 -4.726 1.00 0.00 O ATOM 136 CB GLN A 151 11.093 1.460 -4.607 1.00 0.00 C ATOM 137 CG GLN A 151 11.261 1.982 -6.036 1.00 0.00 C ATOM 138 CD GLN A 151 12.709 1.785 -6.485 1.00 0.00 C ATOM 139 OE1 GLN A 151 13.524 1.271 -5.745 1.00 0.00 O ATOM 140 NE2 GLN A 151 13.067 2.174 -7.679 1.00 0.00 N ATOM 0 H GLN A 151 9.085 3.107 -5.064 1.00 0.00 H new ATOM 0 HA GLN A 151 10.658 2.274 -2.656 1.00 0.00 H new ATOM 0 HB2 GLN A 151 12.034 1.042 -4.248 1.00 0.00 H new ATOM 0 HB3 GLN A 151 10.358 0.655 -4.587 1.00 0.00 H new ATOM 0 HG2 GLN A 151 10.586 1.454 -6.709 1.00 0.00 H new ATOM 0 HG3 GLN A 151 10.995 3.038 -6.082 1.00 0.00 H new ATOM 0 HE21 GLN A 151 12.384 2.606 -8.301 1.00 0.00 H new ATOM 0 HE22 GLN A 151 14.030 2.046 -7.990 1.00 0.00 H new ATOM 149 N ARG A 152 12.602 3.866 -3.021 1.00 0.00 N ATOM 150 CA ARG A 152 13.572 4.992 -3.121 1.00 0.00 C ATOM 151 C ARG A 152 14.884 4.483 -3.725 1.00 0.00 C ATOM 152 O ARG A 152 15.120 3.292 -3.773 1.00 0.00 O ATOM 153 CB ARG A 152 13.843 5.556 -1.724 1.00 0.00 C ATOM 154 CG ARG A 152 13.310 6.988 -1.640 1.00 0.00 C ATOM 155 CD ARG A 152 12.144 7.041 -0.653 1.00 0.00 C ATOM 156 NE ARG A 152 11.409 8.326 -0.820 1.00 0.00 N ATOM 157 CZ ARG A 152 11.550 9.278 0.062 1.00 0.00 C ATOM 158 NH1 ARG A 152 12.619 10.026 0.050 1.00 0.00 N ATOM 159 NH2 ARG A 152 10.622 9.481 0.956 1.00 0.00 N ATOM 0 H ARG A 152 12.790 3.197 -2.274 1.00 0.00 H new ATOM 0 HA ARG A 152 13.156 5.774 -3.757 1.00 0.00 H new ATOM 0 HB2 ARG A 152 13.363 4.933 -0.969 1.00 0.00 H new ATOM 0 HB3 ARG A 152 14.913 5.542 -1.516 1.00 0.00 H new ATOM 0 HG2 ARG A 152 14.103 7.664 -1.320 1.00 0.00 H new ATOM 0 HG3 ARG A 152 12.983 7.324 -2.624 1.00 0.00 H new ATOM 0 HD2 ARG A 152 11.471 6.200 -0.823 1.00 0.00 H new ATOM 0 HD3 ARG A 152 12.514 6.952 0.368 1.00 0.00 H new ATOM 0 HE ARG A 152 10.796 8.462 -1.624 1.00 0.00 H new ATOM 0 HH11 ARG A 152 13.345 9.867 -0.649 1.00 0.00 H new ATOM 0 HH12 ARG A 152 12.729 10.770 0.739 1.00 0.00 H new ATOM 0 HH21 ARG A 152 9.787 8.896 0.966 1.00 0.00 H new ATOM 0 HH22 ARG A 152 10.732 10.225 1.645 1.00 0.00 H new ATOM 173 N PRO A 153 15.700 5.405 -4.169 1.00 0.00 N ATOM 174 CA PRO A 153 17.005 5.091 -4.780 1.00 0.00 C ATOM 175 C PRO A 153 18.061 4.817 -3.701 1.00 0.00 C ATOM 176 O PRO A 153 19.212 5.181 -3.846 1.00 0.00 O ATOM 177 CB PRO A 153 17.350 6.366 -5.554 1.00 0.00 C ATOM 178 CG PRO A 153 16.545 7.511 -4.893 1.00 0.00 C ATOM 179 CD PRO A 153 15.395 6.849 -4.109 1.00 0.00 C ATOM 0 HA PRO A 153 16.976 4.201 -5.408 1.00 0.00 H new ATOM 0 HB2 PRO A 153 18.420 6.569 -5.511 1.00 0.00 H new ATOM 0 HB3 PRO A 153 17.087 6.264 -6.607 1.00 0.00 H new ATOM 0 HG2 PRO A 153 17.180 8.097 -4.228 1.00 0.00 H new ATOM 0 HG3 PRO A 153 16.156 8.196 -5.647 1.00 0.00 H new ATOM 0 HD2 PRO A 153 15.358 7.206 -3.080 1.00 0.00 H new ATOM 0 HD3 PRO A 153 14.427 7.071 -4.559 1.00 0.00 H new ATOM 187 N TRP A 154 17.686 4.181 -2.624 1.00 0.00 N ATOM 188 CA TRP A 154 18.675 3.892 -1.549 1.00 0.00 C ATOM 189 C TRP A 154 18.336 2.552 -0.893 1.00 0.00 C ATOM 190 O TRP A 154 19.108 1.615 -0.937 1.00 0.00 O ATOM 191 CB TRP A 154 18.622 5.001 -0.495 1.00 0.00 C ATOM 192 CG TRP A 154 19.631 6.055 -0.823 1.00 0.00 C ATOM 193 CD1 TRP A 154 20.921 5.819 -1.156 1.00 0.00 C ATOM 194 CD2 TRP A 154 19.457 7.500 -0.854 1.00 0.00 C ATOM 195 NE1 TRP A 154 21.550 7.029 -1.392 1.00 0.00 N ATOM 196 CE2 TRP A 154 20.689 8.094 -1.220 1.00 0.00 C ATOM 197 CE3 TRP A 154 18.360 8.347 -0.605 1.00 0.00 C ATOM 198 CZ2 TRP A 154 20.827 9.479 -1.333 1.00 0.00 C ATOM 199 CZ3 TRP A 154 18.495 9.741 -0.718 1.00 0.00 C ATOM 200 CH2 TRP A 154 19.726 10.305 -1.081 1.00 0.00 C ATOM 0 H TRP A 154 16.738 3.850 -2.443 1.00 0.00 H new ATOM 0 HA TRP A 154 19.676 3.846 -1.979 1.00 0.00 H new ATOM 0 HB2 TRP A 154 17.624 5.437 -0.462 1.00 0.00 H new ATOM 0 HB3 TRP A 154 18.822 4.587 0.493 1.00 0.00 H new ATOM 0 HD1 TRP A 154 21.384 4.846 -1.226 1.00 0.00 H new ATOM 0 HE1 TRP A 154 22.530 7.122 -1.660 1.00 0.00 H new ATOM 0 HE3 TRP A 154 17.408 7.922 -0.325 1.00 0.00 H new ATOM 0 HZ2 TRP A 154 21.777 9.910 -1.613 1.00 0.00 H new ATOM 0 HZ3 TRP A 154 17.647 10.381 -0.524 1.00 0.00 H new ATOM 0 HH2 TRP A 154 19.825 11.377 -1.166 1.00 0.00 H new ATOM 211 N GLY A 155 17.184 2.454 -0.287 1.00 0.00 N ATOM 212 CA GLY A 155 16.794 1.175 0.370 1.00 0.00 C ATOM 213 C GLY A 155 15.563 1.405 1.248 1.00 0.00 C ATOM 214 O GLY A 155 15.431 0.834 2.313 1.00 0.00 O ATOM 0 H GLY A 155 16.497 3.204 -0.219 1.00 0.00 H new ATOM 0 HA2 GLY A 155 16.579 0.418 -0.384 1.00 0.00 H new ATOM 0 HA3 GLY A 155 17.619 0.798 0.974 1.00 0.00 H new ATOM 218 N LYS A 156 14.659 2.241 0.813 1.00 0.00 N ATOM 219 CA LYS A 156 13.438 2.507 1.624 1.00 0.00 C ATOM 220 C LYS A 156 12.194 2.301 0.757 1.00 0.00 C ATOM 221 O LYS A 156 12.280 2.169 -0.447 1.00 0.00 O ATOM 222 CB LYS A 156 13.470 3.950 2.134 1.00 0.00 C ATOM 223 CG LYS A 156 14.612 4.114 3.139 1.00 0.00 C ATOM 224 CD LYS A 156 15.370 5.409 2.843 1.00 0.00 C ATOM 225 CE LYS A 156 16.876 5.137 2.863 1.00 0.00 C ATOM 226 NZ LYS A 156 17.330 4.958 4.271 1.00 0.00 N ATOM 0 H LYS A 156 14.714 2.751 -0.069 1.00 0.00 H new ATOM 0 HA LYS A 156 13.408 1.822 2.471 1.00 0.00 H new ATOM 0 HB2 LYS A 156 13.605 4.638 1.300 1.00 0.00 H new ATOM 0 HB3 LYS A 156 12.519 4.201 2.604 1.00 0.00 H new ATOM 0 HG2 LYS A 156 14.217 4.136 4.155 1.00 0.00 H new ATOM 0 HG3 LYS A 156 15.289 3.262 3.079 1.00 0.00 H new ATOM 0 HD2 LYS A 156 15.074 5.802 1.870 1.00 0.00 H new ATOM 0 HD3 LYS A 156 15.117 6.168 3.583 1.00 0.00 H new ATOM 0 HE2 LYS A 156 17.103 4.244 2.280 1.00 0.00 H new ATOM 0 HE3 LYS A 156 17.412 5.965 2.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 18.353 4.773 4.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 17.127 5.822 4.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 16.827 4.154 4.698 1.00 0.00 H new ATOM 240 N PHE A 157 11.037 2.275 1.359 1.00 0.00 N ATOM 241 CA PHE A 157 9.789 2.082 0.568 1.00 0.00 C ATOM 242 C PHE A 157 8.638 2.830 1.245 1.00 0.00 C ATOM 243 O PHE A 157 8.803 3.417 2.296 1.00 0.00 O ATOM 244 CB PHE A 157 9.455 0.591 0.491 1.00 0.00 C ATOM 245 CG PHE A 157 10.371 -0.078 -0.506 1.00 0.00 C ATOM 246 CD1 PHE A 157 11.641 -0.515 -0.106 1.00 0.00 C ATOM 247 CD2 PHE A 157 9.953 -0.261 -1.831 1.00 0.00 C ATOM 248 CE1 PHE A 157 12.493 -1.135 -1.029 1.00 0.00 C ATOM 249 CE2 PHE A 157 10.804 -0.881 -2.755 1.00 0.00 C ATOM 250 CZ PHE A 157 12.075 -1.317 -2.354 1.00 0.00 C ATOM 0 H PHE A 157 10.902 2.379 2.365 1.00 0.00 H new ATOM 0 HA PHE A 157 9.934 2.471 -0.440 1.00 0.00 H new ATOM 0 HB2 PHE A 157 9.569 0.130 1.472 1.00 0.00 H new ATOM 0 HB3 PHE A 157 8.415 0.455 0.194 1.00 0.00 H new ATOM 0 HD1 PHE A 157 11.963 -0.374 0.915 1.00 0.00 H new ATOM 0 HD2 PHE A 157 8.975 0.076 -2.140 1.00 0.00 H new ATOM 0 HE1 PHE A 157 13.471 -1.472 -0.720 1.00 0.00 H new ATOM 0 HE2 PHE A 157 10.481 -1.023 -3.776 1.00 0.00 H new ATOM 0 HZ PHE A 157 12.732 -1.793 -3.067 1.00 0.00 H new ATOM 260 N ALA A 158 7.473 2.816 0.655 1.00 0.00 N ATOM 261 CA ALA A 158 6.322 3.530 1.275 1.00 0.00 C ATOM 262 C ALA A 158 5.013 2.831 0.907 1.00 0.00 C ATOM 263 O ALA A 158 4.590 2.846 -0.231 1.00 0.00 O ATOM 264 CB ALA A 158 6.279 4.973 0.772 1.00 0.00 C ATOM 0 H ALA A 158 7.270 2.343 -0.226 1.00 0.00 H new ATOM 0 HA ALA A 158 6.445 3.522 2.358 1.00 0.00 H new ATOM 0 HB1 ALA A 158 5.436 5.492 1.228 1.00 0.00 H new ATOM 0 HB2 ALA A 158 7.206 5.480 1.041 1.00 0.00 H new ATOM 0 HB3 ALA A 158 6.165 4.977 -0.312 1.00 0.00 H new ATOM 270 N ALA A 159 4.364 2.228 1.861 1.00 0.00 N ATOM 271 CA ALA A 159 3.078 1.543 1.561 1.00 0.00 C ATOM 272 C ALA A 159 1.953 2.580 1.557 1.00 0.00 C ATOM 273 O ALA A 159 1.595 3.121 2.583 1.00 0.00 O ATOM 274 CB ALA A 159 2.797 0.485 2.630 1.00 0.00 C ATOM 0 H ALA A 159 4.667 2.180 2.834 1.00 0.00 H new ATOM 0 HA ALA A 159 3.137 1.058 0.587 1.00 0.00 H new ATOM 0 HB1 ALA A 159 1.854 -0.015 2.408 1.00 0.00 H new ATOM 0 HB2 ALA A 159 3.604 -0.248 2.638 1.00 0.00 H new ATOM 0 HB3 ALA A 159 2.732 0.963 3.607 1.00 0.00 H new ATOM 280 N GLU A 160 1.401 2.866 0.410 1.00 0.00 N ATOM 281 CA GLU A 160 0.304 3.873 0.339 1.00 0.00 C ATOM 282 C GLU A 160 -0.859 3.297 -0.472 1.00 0.00 C ATOM 283 O GLU A 160 -0.668 2.496 -1.366 1.00 0.00 O ATOM 284 CB GLU A 160 0.822 5.146 -0.337 1.00 0.00 C ATOM 285 CG GLU A 160 2.310 5.326 -0.024 1.00 0.00 C ATOM 286 CD GLU A 160 2.834 6.576 -0.731 1.00 0.00 C ATOM 287 OE1 GLU A 160 2.019 7.367 -1.177 1.00 0.00 O ATOM 288 OE2 GLU A 160 4.043 6.723 -0.813 1.00 0.00 O ATOM 0 H GLU A 160 1.662 2.446 -0.482 1.00 0.00 H new ATOM 0 HA GLU A 160 -0.038 4.113 1.346 1.00 0.00 H new ATOM 0 HB2 GLU A 160 0.672 5.084 -1.415 1.00 0.00 H new ATOM 0 HB3 GLU A 160 0.259 6.011 0.014 1.00 0.00 H new ATOM 0 HG2 GLU A 160 2.458 5.416 1.052 1.00 0.00 H new ATOM 0 HG3 GLU A 160 2.870 4.449 -0.351 1.00 0.00 H new ATOM 295 N ILE A 161 -2.065 3.693 -0.168 1.00 0.00 N ATOM 296 CA ILE A 161 -3.236 3.161 -0.921 1.00 0.00 C ATOM 297 C ILE A 161 -4.098 4.322 -1.426 1.00 0.00 C ATOM 298 O ILE A 161 -4.206 5.350 -0.787 1.00 0.00 O ATOM 299 CB ILE A 161 -4.068 2.271 0.005 1.00 0.00 C ATOM 300 CG1 ILE A 161 -5.239 1.672 -0.778 1.00 0.00 C ATOM 301 CG2 ILE A 161 -4.608 3.107 1.167 1.00 0.00 C ATOM 302 CD1 ILE A 161 -5.956 0.637 0.090 1.00 0.00 C ATOM 0 H ILE A 161 -2.290 4.362 0.569 1.00 0.00 H new ATOM 0 HA ILE A 161 -2.886 2.579 -1.773 1.00 0.00 H new ATOM 0 HB ILE A 161 -3.442 1.468 0.394 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -5.933 2.459 -1.073 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -4.877 1.206 -1.694 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -5.201 2.473 1.827 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -3.775 3.534 1.726 1.00 0.00 H new ATOM 0 HG23 ILE A 161 -5.233 3.910 0.777 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -6.790 0.210 -0.467 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -5.259 -0.155 0.363 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -6.331 1.117 0.994 1.00 0.00 H new ATOM 314 N ARG A 162 -4.712 4.166 -2.569 1.00 0.00 N ATOM 315 CA ARG A 162 -5.567 5.262 -3.112 1.00 0.00 C ATOM 316 C ARG A 162 -6.987 5.126 -2.558 1.00 0.00 C ATOM 317 O ARG A 162 -7.580 4.066 -2.598 1.00 0.00 O ATOM 318 CB ARG A 162 -5.607 5.173 -4.640 1.00 0.00 C ATOM 319 CG ARG A 162 -5.941 6.549 -5.221 1.00 0.00 C ATOM 320 CD ARG A 162 -5.951 6.474 -6.750 1.00 0.00 C ATOM 321 NE ARG A 162 -5.279 7.682 -7.308 1.00 0.00 N ATOM 322 CZ ARG A 162 -5.801 8.308 -8.326 1.00 0.00 C ATOM 323 NH1 ARG A 162 -5.699 7.803 -9.525 1.00 0.00 N ATOM 324 NH2 ARG A 162 -6.424 9.440 -8.145 1.00 0.00 N ATOM 0 H ARG A 162 -4.659 3.329 -3.149 1.00 0.00 H new ATOM 0 HA ARG A 162 -5.151 6.225 -2.815 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -4.645 4.829 -5.021 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -6.353 4.443 -4.953 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -6.913 6.882 -4.857 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -5.207 7.283 -4.888 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -5.439 5.572 -7.084 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -6.976 6.413 -7.116 1.00 0.00 H new ATOM 0 HE ARG A 162 -4.410 8.019 -6.893 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -5.211 6.919 -9.666 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -6.107 8.293 -10.321 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -6.502 9.835 -7.208 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -6.833 9.930 -8.941 1.00 0.00 H new ATOM 338 N ASP A 163 -7.539 6.191 -2.044 1.00 0.00 N ATOM 339 CA ASP A 163 -8.921 6.121 -1.490 1.00 0.00 C ATOM 340 C ASP A 163 -9.829 7.097 -2.248 1.00 0.00 C ATOM 341 O ASP A 163 -9.897 8.262 -1.913 1.00 0.00 O ATOM 342 CB ASP A 163 -8.896 6.499 -0.007 1.00 0.00 C ATOM 343 CG ASP A 163 -10.224 6.106 0.641 1.00 0.00 C ATOM 344 OD1 ASP A 163 -11.184 5.914 -0.088 1.00 0.00 O ATOM 345 OD2 ASP A 163 -10.259 6.002 1.857 1.00 0.00 O ATOM 0 H ASP A 163 -7.093 7.106 -1.984 1.00 0.00 H new ATOM 0 HA ASP A 163 -9.304 5.107 -1.602 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -8.071 5.993 0.494 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -8.728 7.570 0.104 1.00 0.00 H new ATOM 350 N PRO A 164 -10.502 6.587 -3.249 1.00 0.00 N ATOM 351 CA PRO A 164 -11.420 7.388 -4.078 1.00 0.00 C ATOM 352 C PRO A 164 -12.749 7.603 -3.349 1.00 0.00 C ATOM 353 O PRO A 164 -13.479 8.532 -3.629 1.00 0.00 O ATOM 354 CB PRO A 164 -11.616 6.524 -5.328 1.00 0.00 C ATOM 355 CG PRO A 164 -11.279 5.073 -4.913 1.00 0.00 C ATOM 356 CD PRO A 164 -10.409 5.168 -3.646 1.00 0.00 C ATOM 0 HA PRO A 164 -11.036 8.382 -4.307 1.00 0.00 H new ATOM 0 HB2 PRO A 164 -12.641 6.596 -5.693 1.00 0.00 H new ATOM 0 HB3 PRO A 164 -10.966 6.858 -6.137 1.00 0.00 H new ATOM 0 HG2 PRO A 164 -12.188 4.505 -4.717 1.00 0.00 H new ATOM 0 HG3 PRO A 164 -10.746 4.556 -5.711 1.00 0.00 H new ATOM 0 HD2 PRO A 164 -10.777 4.509 -2.860 1.00 0.00 H new ATOM 0 HD3 PRO A 164 -9.378 4.878 -3.848 1.00 0.00 H new ATOM 364 N ALA A 165 -13.068 6.748 -2.416 1.00 0.00 N ATOM 365 CA ALA A 165 -14.347 6.897 -1.671 1.00 0.00 C ATOM 366 C ALA A 165 -14.277 8.131 -0.768 1.00 0.00 C ATOM 367 O ALA A 165 -15.219 8.891 -0.666 1.00 0.00 O ATOM 368 CB ALA A 165 -14.585 5.652 -0.814 1.00 0.00 C ATOM 0 H ALA A 165 -12.495 5.951 -2.138 1.00 0.00 H new ATOM 0 HA ALA A 165 -15.166 7.015 -2.380 1.00 0.00 H new ATOM 0 HB1 ALA A 165 -15.522 5.760 -0.268 1.00 0.00 H new ATOM 0 HB2 ALA A 165 -14.639 4.773 -1.456 1.00 0.00 H new ATOM 0 HB3 ALA A 165 -13.764 5.535 -0.107 1.00 0.00 H new ATOM 374 N LYS A 166 -13.169 8.334 -0.106 1.00 0.00 N ATOM 375 CA LYS A 166 -13.043 9.515 0.794 1.00 0.00 C ATOM 376 C LYS A 166 -12.576 10.732 -0.008 1.00 0.00 C ATOM 377 O LYS A 166 -11.513 11.271 0.228 1.00 0.00 O ATOM 378 CB LYS A 166 -12.026 9.211 1.896 1.00 0.00 C ATOM 379 CG LYS A 166 -12.568 8.103 2.800 1.00 0.00 C ATOM 380 CD LYS A 166 -13.725 8.649 3.640 1.00 0.00 C ATOM 381 CE LYS A 166 -14.701 7.516 3.960 1.00 0.00 C ATOM 382 NZ LYS A 166 -14.901 7.434 5.434 1.00 0.00 N ATOM 0 H LYS A 166 -12.346 7.733 -0.150 1.00 0.00 H new ATOM 0 HA LYS A 166 -14.014 9.730 1.241 1.00 0.00 H new ATOM 0 HB2 LYS A 166 -11.078 8.904 1.455 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -11.829 10.109 2.482 1.00 0.00 H new ATOM 0 HG2 LYS A 166 -12.908 7.261 2.197 1.00 0.00 H new ATOM 0 HG3 LYS A 166 -11.777 7.730 3.450 1.00 0.00 H new ATOM 0 HD2 LYS A 166 -13.344 9.087 4.563 1.00 0.00 H new ATOM 0 HD3 LYS A 166 -14.238 9.444 3.099 1.00 0.00 H new ATOM 0 HE2 LYS A 166 -15.655 7.692 3.462 1.00 0.00 H new ATOM 0 HE3 LYS A 166 -14.313 6.570 3.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 -15.565 6.664 5.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 -13.989 7.247 5.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 -15.289 8.334 5.782 1.00 0.00 H new ATOM 396 N ASN A 167 -13.362 11.172 -0.952 1.00 0.00 N ATOM 397 CA ASN A 167 -12.965 12.359 -1.764 1.00 0.00 C ATOM 398 C ASN A 167 -11.566 12.145 -2.344 1.00 0.00 C ATOM 399 O ASN A 167 -10.710 13.004 -2.257 1.00 0.00 O ATOM 400 CB ASN A 167 -12.959 13.604 -0.875 1.00 0.00 C ATOM 401 CG ASN A 167 -14.342 14.260 -0.895 1.00 0.00 C ATOM 402 OD1 ASN A 167 -14.465 15.434 -1.176 1.00 0.00 O ATOM 403 ND2 ASN A 167 -15.395 13.545 -0.608 1.00 0.00 N ATOM 0 H ASN A 167 -14.263 10.761 -1.197 1.00 0.00 H new ATOM 0 HA ASN A 167 -13.677 12.492 -2.578 1.00 0.00 H new ATOM 0 HB2 ASN A 167 -12.690 13.332 0.146 1.00 0.00 H new ATOM 0 HB3 ASN A 167 -12.206 14.310 -1.226 1.00 0.00 H new ATOM 0 HD21 ASN A 167 -16.321 13.973 -0.620 1.00 0.00 H new ATOM 0 HD22 ASN A 167 -15.292 12.558 -0.372 1.00 0.00 H new ATOM 410 N GLY A 168 -11.326 11.010 -2.939 1.00 0.00 N ATOM 411 CA GLY A 168 -9.982 10.746 -3.529 1.00 0.00 C ATOM 412 C GLY A 168 -8.890 11.212 -2.563 1.00 0.00 C ATOM 413 O GLY A 168 -8.005 11.960 -2.927 1.00 0.00 O ATOM 0 H GLY A 168 -12.002 10.253 -3.043 1.00 0.00 H new ATOM 0 HA2 GLY A 168 -9.868 9.682 -3.735 1.00 0.00 H new ATOM 0 HA3 GLY A 168 -9.884 11.267 -4.481 1.00 0.00 H new ATOM 417 N ALA A 169 -8.943 10.773 -1.335 1.00 0.00 N ATOM 418 CA ALA A 169 -7.904 11.188 -0.350 1.00 0.00 C ATOM 419 C ALA A 169 -6.739 10.198 -0.396 1.00 0.00 C ATOM 420 O ALA A 169 -6.927 8.999 -0.332 1.00 0.00 O ATOM 421 CB ALA A 169 -8.511 11.198 1.055 1.00 0.00 C ATOM 0 H ALA A 169 -9.660 10.145 -0.971 1.00 0.00 H new ATOM 0 HA ALA A 169 -7.543 12.187 -0.597 1.00 0.00 H new ATOM 0 HB1 ALA A 169 -7.753 11.501 1.777 1.00 0.00 H new ATOM 0 HB2 ALA A 169 -9.344 11.901 1.087 1.00 0.00 H new ATOM 0 HB3 ALA A 169 -8.870 10.199 1.304 1.00 0.00 H new ATOM 427 N ARG A 170 -5.533 10.688 -0.507 1.00 0.00 N ATOM 428 CA ARG A 170 -4.359 9.771 -0.558 1.00 0.00 C ATOM 429 C ARG A 170 -4.105 9.188 0.834 1.00 0.00 C ATOM 430 O ARG A 170 -4.282 9.851 1.836 1.00 0.00 O ATOM 431 CB ARG A 170 -3.125 10.550 -1.019 1.00 0.00 C ATOM 432 CG ARG A 170 -3.147 10.684 -2.543 1.00 0.00 C ATOM 433 CD ARG A 170 -1.756 10.377 -3.100 1.00 0.00 C ATOM 434 NE ARG A 170 -1.795 9.088 -3.847 1.00 0.00 N ATOM 435 CZ ARG A 170 -0.816 8.771 -4.650 1.00 0.00 C ATOM 436 NH1 ARG A 170 0.365 8.500 -4.164 1.00 0.00 N ATOM 437 NH2 ARG A 170 -1.017 8.725 -5.938 1.00 0.00 N ATOM 0 H ARG A 170 -5.311 11.682 -0.564 1.00 0.00 H new ATOM 0 HA ARG A 170 -4.560 8.961 -1.259 1.00 0.00 H new ATOM 0 HB2 ARG A 170 -3.111 11.537 -0.557 1.00 0.00 H new ATOM 0 HB3 ARG A 170 -2.218 10.036 -0.701 1.00 0.00 H new ATOM 0 HG2 ARG A 170 -3.881 9.999 -2.969 1.00 0.00 H new ATOM 0 HG3 ARG A 170 -3.450 11.692 -2.826 1.00 0.00 H new ATOM 0 HD2 ARG A 170 -1.430 11.182 -3.759 1.00 0.00 H new ATOM 0 HD3 ARG A 170 -1.032 10.317 -2.287 1.00 0.00 H new ATOM 0 HE ARG A 170 -2.586 8.454 -3.731 1.00 0.00 H new ATOM 0 HH11 ARG A 170 0.523 8.536 -3.157 1.00 0.00 H new ATOM 0 HH12 ARG A 170 1.130 8.252 -4.791 1.00 0.00 H new ATOM 0 HH21 ARG A 170 -1.940 8.937 -6.318 1.00 0.00 H new ATOM 0 HH22 ARG A 170 -0.252 8.477 -6.565 1.00 0.00 H new ATOM 451 N VAL A 171 -3.692 7.952 0.904 1.00 0.00 N ATOM 452 CA VAL A 171 -3.431 7.331 2.233 1.00 0.00 C ATOM 453 C VAL A 171 -1.990 6.822 2.294 1.00 0.00 C ATOM 454 O VAL A 171 -1.524 6.137 1.406 1.00 0.00 O ATOM 455 CB VAL A 171 -4.391 6.158 2.444 1.00 0.00 C ATOM 456 CG1 VAL A 171 -4.009 5.408 3.721 1.00 0.00 C ATOM 457 CG2 VAL A 171 -5.822 6.686 2.571 1.00 0.00 C ATOM 0 H VAL A 171 -3.524 7.347 0.100 1.00 0.00 H new ATOM 0 HA VAL A 171 -3.584 8.077 3.013 1.00 0.00 H new ATOM 0 HB VAL A 171 -4.328 5.480 1.593 1.00 0.00 H new ATOM 0 HG11 VAL A 171 -4.693 4.573 3.871 1.00 0.00 H new ATOM 0 HG12 VAL A 171 -2.990 5.031 3.631 1.00 0.00 H new ATOM 0 HG13 VAL A 171 -4.071 6.085 4.573 1.00 0.00 H new ATOM 0 HG21 VAL A 171 -6.506 5.851 2.721 1.00 0.00 H new ATOM 0 HG22 VAL A 171 -5.885 7.364 3.422 1.00 0.00 H new ATOM 0 HG23 VAL A 171 -6.095 7.219 1.660 1.00 0.00 H new ATOM 467 N TRP A 172 -1.284 7.148 3.341 1.00 0.00 N ATOM 468 CA TRP A 172 0.123 6.679 3.468 1.00 0.00 C ATOM 469 C TRP A 172 0.235 5.771 4.693 1.00 0.00 C ATOM 470 O TRP A 172 0.364 6.232 5.809 1.00 0.00 O ATOM 471 CB TRP A 172 1.051 7.885 3.634 1.00 0.00 C ATOM 472 CG TRP A 172 2.473 7.427 3.736 1.00 0.00 C ATOM 473 CD1 TRP A 172 2.979 6.662 4.730 1.00 0.00 C ATOM 474 CD2 TRP A 172 3.581 7.699 2.829 1.00 0.00 C ATOM 475 NE1 TRP A 172 4.324 6.452 4.494 1.00 0.00 N ATOM 476 CE2 TRP A 172 4.742 7.069 3.336 1.00 0.00 C ATOM 477 CE3 TRP A 172 3.691 8.425 1.627 1.00 0.00 C ATOM 478 CZ2 TRP A 172 5.967 7.154 2.678 1.00 0.00 C ATOM 479 CZ3 TRP A 172 4.925 8.514 0.960 1.00 0.00 C ATOM 480 CH2 TRP A 172 6.061 7.879 1.486 1.00 0.00 C ATOM 0 H TRP A 172 -1.622 7.720 4.115 1.00 0.00 H new ATOM 0 HA TRP A 172 0.411 6.127 2.574 1.00 0.00 H new ATOM 0 HB2 TRP A 172 0.938 8.561 2.786 1.00 0.00 H new ATOM 0 HB3 TRP A 172 0.776 8.446 4.527 1.00 0.00 H new ATOM 0 HD1 TRP A 172 2.422 6.278 5.572 1.00 0.00 H new ATOM 0 HE1 TRP A 172 4.933 5.906 5.103 1.00 0.00 H new ATOM 0 HE3 TRP A 172 2.822 8.916 1.215 1.00 0.00 H new ATOM 0 HZ2 TRP A 172 6.838 6.663 3.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 172 4.999 9.073 0.039 1.00 0.00 H new ATOM 0 HH2 TRP A 172 7.007 7.950 0.970 1.00 0.00 H new ATOM 491 N LEU A 173 0.178 4.483 4.495 1.00 0.00 N ATOM 492 CA LEU A 173 0.279 3.550 5.650 1.00 0.00 C ATOM 493 C LEU A 173 1.560 3.851 6.427 1.00 0.00 C ATOM 494 O LEU A 173 1.543 4.019 7.631 1.00 0.00 O ATOM 495 CB LEU A 173 0.315 2.107 5.143 1.00 0.00 C ATOM 496 CG LEU A 173 -1.105 1.649 4.804 1.00 0.00 C ATOM 497 CD1 LEU A 173 -1.336 1.764 3.295 1.00 0.00 C ATOM 498 CD2 LEU A 173 -1.284 0.192 5.237 1.00 0.00 C ATOM 0 H LEU A 173 0.066 4.038 3.584 1.00 0.00 H new ATOM 0 HA LEU A 173 -0.585 3.680 6.302 1.00 0.00 H new ATOM 0 HB2 LEU A 173 0.952 2.036 4.261 1.00 0.00 H new ATOM 0 HB3 LEU A 173 0.747 1.455 5.902 1.00 0.00 H new ATOM 0 HG LEU A 173 -1.824 2.278 5.328 1.00 0.00 H new ATOM 0 HD11 LEU A 173 -2.348 1.437 3.056 1.00 0.00 H new ATOM 0 HD12 LEU A 173 -1.207 2.801 2.985 1.00 0.00 H new ATOM 0 HD13 LEU A 173 -0.618 1.136 2.768 1.00 0.00 H new ATOM 0 HD21 LEU A 173 -2.295 -0.137 4.997 1.00 0.00 H new ATOM 0 HD22 LEU A 173 -0.564 -0.435 4.711 1.00 0.00 H new ATOM 0 HD23 LEU A 173 -1.121 0.109 6.312 1.00 0.00 H new ATOM 510 N GLY A 174 2.673 3.926 5.749 1.00 0.00 N ATOM 511 CA GLY A 174 3.952 4.222 6.453 1.00 0.00 C ATOM 512 C GLY A 174 5.128 3.674 5.643 1.00 0.00 C ATOM 513 O GLY A 174 4.993 2.728 4.894 1.00 0.00 O ATOM 0 H GLY A 174 2.751 3.795 4.740 1.00 0.00 H new ATOM 0 HA2 GLY A 174 4.062 5.298 6.589 1.00 0.00 H new ATOM 0 HA3 GLY A 174 3.943 3.774 7.447 1.00 0.00 H new ATOM 517 N THR A 175 6.283 4.263 5.794 1.00 0.00 N ATOM 518 CA THR A 175 7.472 3.781 5.038 1.00 0.00 C ATOM 519 C THR A 175 7.830 2.369 5.504 1.00 0.00 C ATOM 520 O THR A 175 7.346 1.897 6.513 1.00 0.00 O ATOM 521 CB THR A 175 8.656 4.717 5.292 1.00 0.00 C ATOM 522 OG1 THR A 175 9.306 4.337 6.497 1.00 0.00 O ATOM 523 CG2 THR A 175 8.155 6.156 5.412 1.00 0.00 C ATOM 0 H THR A 175 6.454 5.058 6.409 1.00 0.00 H new ATOM 0 HA THR A 175 7.244 3.768 3.972 1.00 0.00 H new ATOM 0 HB THR A 175 9.359 4.649 4.462 1.00 0.00 H new ATOM 0 HG1 THR A 175 10.066 4.934 6.661 1.00 0.00 H new ATOM 0 HG21 THR A 175 8.999 6.821 5.593 1.00 0.00 H new ATOM 0 HG22 THR A 175 7.656 6.446 4.487 1.00 0.00 H new ATOM 0 HG23 THR A 175 7.452 6.228 6.242 1.00 0.00 H new ATOM 531 N PHE A 176 8.674 1.693 4.777 1.00 0.00 N ATOM 532 CA PHE A 176 9.062 0.313 5.179 1.00 0.00 C ATOM 533 C PHE A 176 10.535 0.079 4.838 1.00 0.00 C ATOM 534 O PHE A 176 11.181 0.911 4.232 1.00 0.00 O ATOM 535 CB PHE A 176 8.192 -0.697 4.429 1.00 0.00 C ATOM 536 CG PHE A 176 6.811 -0.712 5.040 1.00 0.00 C ATOM 537 CD1 PHE A 176 5.845 0.210 4.614 1.00 0.00 C ATOM 538 CD2 PHE A 176 6.496 -1.646 6.034 1.00 0.00 C ATOM 539 CE1 PHE A 176 4.565 0.196 5.181 1.00 0.00 C ATOM 540 CE2 PHE A 176 5.215 -1.659 6.603 1.00 0.00 C ATOM 541 CZ PHE A 176 4.250 -0.738 6.176 1.00 0.00 C ATOM 0 H PHE A 176 9.112 2.036 3.922 1.00 0.00 H new ATOM 0 HA PHE A 176 8.916 0.189 6.252 1.00 0.00 H new ATOM 0 HB2 PHE A 176 8.133 -0.431 3.374 1.00 0.00 H new ATOM 0 HB3 PHE A 176 8.638 -1.690 4.483 1.00 0.00 H new ATOM 0 HD1 PHE A 176 6.088 0.932 3.848 1.00 0.00 H new ATOM 0 HD2 PHE A 176 7.240 -2.357 6.362 1.00 0.00 H new ATOM 0 HE1 PHE A 176 3.820 0.905 4.851 1.00 0.00 H new ATOM 0 HE2 PHE A 176 4.972 -2.379 7.370 1.00 0.00 H new ATOM 0 HZ PHE A 176 3.263 -0.748 6.614 1.00 0.00 H new ATOM 551 N GLU A 177 11.074 -1.045 5.223 1.00 0.00 N ATOM 552 CA GLU A 177 12.507 -1.323 4.923 1.00 0.00 C ATOM 553 C GLU A 177 12.638 -1.889 3.508 1.00 0.00 C ATOM 554 O GLU A 177 13.669 -1.772 2.875 1.00 0.00 O ATOM 555 CB GLU A 177 13.051 -2.337 5.931 1.00 0.00 C ATOM 556 CG GLU A 177 13.607 -1.596 7.149 1.00 0.00 C ATOM 557 CD GLU A 177 15.027 -2.086 7.439 1.00 0.00 C ATOM 558 OE1 GLU A 177 15.885 -1.885 6.595 1.00 0.00 O ATOM 559 OE2 GLU A 177 15.231 -2.654 8.498 1.00 0.00 O ATOM 0 H GLU A 177 10.585 -1.782 5.731 1.00 0.00 H new ATOM 0 HA GLU A 177 13.077 -0.396 4.994 1.00 0.00 H new ATOM 0 HB2 GLU A 177 12.260 -3.021 6.238 1.00 0.00 H new ATOM 0 HB3 GLU A 177 13.833 -2.940 5.470 1.00 0.00 H new ATOM 0 HG2 GLU A 177 13.612 -0.522 6.964 1.00 0.00 H new ATOM 0 HG3 GLU A 177 12.968 -1.767 8.015 1.00 0.00 H new ATOM 566 N THR A 178 11.603 -2.502 3.004 1.00 0.00 N ATOM 567 CA THR A 178 11.675 -3.073 1.631 1.00 0.00 C ATOM 568 C THR A 178 10.288 -3.037 0.988 1.00 0.00 C ATOM 569 O THR A 178 9.302 -2.743 1.634 1.00 0.00 O ATOM 570 CB THR A 178 12.165 -4.520 1.708 1.00 0.00 C ATOM 571 OG1 THR A 178 11.063 -5.378 1.968 1.00 0.00 O ATOM 572 CG2 THR A 178 13.194 -4.653 2.831 1.00 0.00 C ATOM 0 H THR A 178 10.712 -2.632 3.483 1.00 0.00 H new ATOM 0 HA THR A 178 12.368 -2.485 1.029 1.00 0.00 H new ATOM 0 HB THR A 178 12.627 -4.799 0.761 1.00 0.00 H new ATOM 0 HG1 THR A 178 11.375 -6.306 2.017 1.00 0.00 H new ATOM 0 HG21 THR A 178 13.542 -5.684 2.885 1.00 0.00 H new ATOM 0 HG22 THR A 178 14.039 -3.995 2.630 1.00 0.00 H new ATOM 0 HG23 THR A 178 12.735 -4.375 3.780 1.00 0.00 H new ATOM 580 N ALA A 179 10.204 -3.334 -0.279 1.00 0.00 N ATOM 581 CA ALA A 179 8.880 -3.316 -0.963 1.00 0.00 C ATOM 582 C ALA A 179 8.036 -4.490 -0.465 1.00 0.00 C ATOM 583 O ALA A 179 6.822 -4.451 -0.495 1.00 0.00 O ATOM 584 CB ALA A 179 9.085 -3.438 -2.474 1.00 0.00 C ATOM 0 H ALA A 179 10.995 -3.588 -0.871 1.00 0.00 H new ATOM 0 HA ALA A 179 8.368 -2.380 -0.742 1.00 0.00 H new ATOM 0 HB1 ALA A 179 8.117 -3.425 -2.975 1.00 0.00 H new ATOM 0 HB2 ALA A 179 9.688 -2.602 -2.828 1.00 0.00 H new ATOM 0 HB3 ALA A 179 9.596 -4.374 -2.697 1.00 0.00 H new ATOM 590 N GLU A 180 8.669 -5.534 -0.004 1.00 0.00 N ATOM 591 CA GLU A 180 7.903 -6.710 0.499 1.00 0.00 C ATOM 592 C GLU A 180 7.195 -6.335 1.800 1.00 0.00 C ATOM 593 O GLU A 180 6.051 -6.681 2.016 1.00 0.00 O ATOM 594 CB GLU A 180 8.864 -7.874 0.754 1.00 0.00 C ATOM 595 CG GLU A 180 8.065 -9.126 1.122 1.00 0.00 C ATOM 596 CD GLU A 180 8.083 -9.318 2.639 1.00 0.00 C ATOM 597 OE1 GLU A 180 9.015 -9.935 3.127 1.00 0.00 O ATOM 598 OE2 GLU A 180 7.163 -8.846 3.287 1.00 0.00 O ATOM 0 H GLU A 180 9.684 -5.624 0.046 1.00 0.00 H new ATOM 0 HA GLU A 180 7.163 -7.009 -0.244 1.00 0.00 H new ATOM 0 HB2 GLU A 180 9.467 -8.063 -0.134 1.00 0.00 H new ATOM 0 HB3 GLU A 180 9.553 -7.620 1.559 1.00 0.00 H new ATOM 0 HG2 GLU A 180 7.038 -9.031 0.769 1.00 0.00 H new ATOM 0 HG3 GLU A 180 8.492 -10.000 0.630 1.00 0.00 H new ATOM 605 N ASP A 181 7.864 -5.628 2.664 1.00 0.00 N ATOM 606 CA ASP A 181 7.232 -5.224 3.948 1.00 0.00 C ATOM 607 C ASP A 181 6.154 -4.175 3.670 1.00 0.00 C ATOM 608 O ASP A 181 5.038 -4.281 4.137 1.00 0.00 O ATOM 609 CB ASP A 181 8.298 -4.633 4.874 1.00 0.00 C ATOM 610 CG ASP A 181 9.630 -5.349 4.644 1.00 0.00 C ATOM 611 OD1 ASP A 181 9.633 -6.569 4.644 1.00 0.00 O ATOM 612 OD2 ASP A 181 10.626 -4.665 4.472 1.00 0.00 O ATOM 0 H ASP A 181 8.825 -5.311 2.536 1.00 0.00 H new ATOM 0 HA ASP A 181 6.780 -6.093 4.426 1.00 0.00 H new ATOM 0 HB2 ASP A 181 8.409 -3.566 4.683 1.00 0.00 H new ATOM 0 HB3 ASP A 181 7.991 -4.740 5.914 1.00 0.00 H new ATOM 617 N ALA A 182 6.474 -3.168 2.904 1.00 0.00 N ATOM 618 CA ALA A 182 5.461 -2.120 2.592 1.00 0.00 C ATOM 619 C ALA A 182 4.343 -2.741 1.756 1.00 0.00 C ATOM 620 O ALA A 182 3.233 -2.251 1.720 1.00 0.00 O ATOM 621 CB ALA A 182 6.121 -0.990 1.800 1.00 0.00 C ATOM 0 H ALA A 182 7.391 -3.026 2.481 1.00 0.00 H new ATOM 0 HA ALA A 182 5.050 -1.719 3.518 1.00 0.00 H new ATOM 0 HB1 ALA A 182 5.380 -0.224 1.572 1.00 0.00 H new ATOM 0 HB2 ALA A 182 6.925 -0.552 2.392 1.00 0.00 H new ATOM 0 HB3 ALA A 182 6.529 -1.387 0.871 1.00 0.00 H new ATOM 627 N ALA A 183 4.630 -3.824 1.089 1.00 0.00 N ATOM 628 CA ALA A 183 3.588 -4.485 0.260 1.00 0.00 C ATOM 629 C ALA A 183 2.662 -5.284 1.175 1.00 0.00 C ATOM 630 O ALA A 183 1.467 -5.350 0.965 1.00 0.00 O ATOM 631 CB ALA A 183 4.257 -5.425 -0.745 1.00 0.00 C ATOM 0 H ALA A 183 5.543 -4.279 1.083 1.00 0.00 H new ATOM 0 HA ALA A 183 3.012 -3.735 -0.281 1.00 0.00 H new ATOM 0 HB1 ALA A 183 3.494 -5.910 -1.353 1.00 0.00 H new ATOM 0 HB2 ALA A 183 4.925 -4.853 -1.389 1.00 0.00 H new ATOM 0 HB3 ALA A 183 4.830 -6.182 -0.209 1.00 0.00 H new ATOM 637 N LEU A 184 3.210 -5.882 2.196 1.00 0.00 N ATOM 638 CA LEU A 184 2.377 -6.671 3.142 1.00 0.00 C ATOM 639 C LEU A 184 1.462 -5.721 3.919 1.00 0.00 C ATOM 640 O LEU A 184 0.281 -5.963 4.077 1.00 0.00 O ATOM 641 CB LEU A 184 3.293 -7.417 4.114 1.00 0.00 C ATOM 642 CG LEU A 184 2.707 -8.796 4.425 1.00 0.00 C ATOM 643 CD1 LEU A 184 1.202 -8.679 4.682 1.00 0.00 C ATOM 644 CD2 LEU A 184 2.949 -9.728 3.237 1.00 0.00 C ATOM 0 H LEU A 184 4.206 -5.857 2.416 1.00 0.00 H new ATOM 0 HA LEU A 184 1.769 -7.390 2.593 1.00 0.00 H new ATOM 0 HB2 LEU A 184 4.288 -7.524 3.681 1.00 0.00 H new ATOM 0 HB3 LEU A 184 3.406 -6.844 5.034 1.00 0.00 H new ATOM 0 HG LEU A 184 3.191 -9.199 5.315 1.00 0.00 H new ATOM 0 HD11 LEU A 184 0.793 -9.665 4.903 1.00 0.00 H new ATOM 0 HD12 LEU A 184 1.028 -8.016 5.530 1.00 0.00 H new ATOM 0 HD13 LEU A 184 0.712 -8.273 3.797 1.00 0.00 H new ATOM 0 HD21 LEU A 184 2.533 -10.711 3.455 1.00 0.00 H new ATOM 0 HD22 LEU A 184 2.467 -9.319 2.349 1.00 0.00 H new ATOM 0 HD23 LEU A 184 4.020 -9.819 3.058 1.00 0.00 H new ATOM 656 N ALA A 185 2.003 -4.634 4.393 1.00 0.00 N ATOM 657 CA ALA A 185 1.175 -3.656 5.151 1.00 0.00 C ATOM 658 C ALA A 185 0.175 -3.003 4.195 1.00 0.00 C ATOM 659 O ALA A 185 -0.861 -2.513 4.599 1.00 0.00 O ATOM 660 CB ALA A 185 2.081 -2.580 5.751 1.00 0.00 C ATOM 0 H ALA A 185 2.985 -4.380 4.288 1.00 0.00 H new ATOM 0 HA ALA A 185 0.641 -4.167 5.952 1.00 0.00 H new ATOM 0 HB1 ALA A 185 1.476 -1.863 6.306 1.00 0.00 H new ATOM 0 HB2 ALA A 185 2.802 -3.045 6.424 1.00 0.00 H new ATOM 0 HB3 ALA A 185 2.612 -2.064 4.951 1.00 0.00 H new ATOM 666 N TYR A 186 0.482 -2.996 2.928 1.00 0.00 N ATOM 667 CA TYR A 186 -0.441 -2.380 1.935 1.00 0.00 C ATOM 668 C TYR A 186 -1.678 -3.267 1.774 1.00 0.00 C ATOM 669 O TYR A 186 -2.774 -2.785 1.584 1.00 0.00 O ATOM 670 CB TYR A 186 0.284 -2.252 0.591 1.00 0.00 C ATOM 671 CG TYR A 186 -0.715 -1.991 -0.513 1.00 0.00 C ATOM 672 CD1 TYR A 186 -1.376 -3.064 -1.126 1.00 0.00 C ATOM 673 CD2 TYR A 186 -0.982 -0.678 -0.922 1.00 0.00 C ATOM 674 CE1 TYR A 186 -2.302 -2.824 -2.149 1.00 0.00 C ATOM 675 CE2 TYR A 186 -1.908 -0.438 -1.945 1.00 0.00 C ATOM 676 CZ TYR A 186 -2.569 -1.511 -2.559 1.00 0.00 C ATOM 677 OH TYR A 186 -3.480 -1.276 -3.567 1.00 0.00 O ATOM 0 H TYR A 186 1.336 -3.392 2.536 1.00 0.00 H new ATOM 0 HA TYR A 186 -0.750 -1.392 2.277 1.00 0.00 H new ATOM 0 HB2 TYR A 186 1.009 -1.440 0.636 1.00 0.00 H new ATOM 0 HB3 TYR A 186 0.841 -3.165 0.380 1.00 0.00 H new ATOM 0 HD1 TYR A 186 -1.171 -4.076 -0.810 1.00 0.00 H new ATOM 0 HD2 TYR A 186 -0.474 0.149 -0.449 1.00 0.00 H new ATOM 0 HE1 TYR A 186 -2.810 -3.651 -2.622 1.00 0.00 H new ATOM 0 HE2 TYR A 186 -2.113 0.574 -2.261 1.00 0.00 H new ATOM 0 HH TYR A 186 -3.548 -0.312 -3.728 1.00 0.00 H new ATOM 687 N ASP A 187 -1.509 -4.559 1.850 1.00 0.00 N ATOM 688 CA ASP A 187 -2.672 -5.477 1.703 1.00 0.00 C ATOM 689 C ASP A 187 -3.631 -5.271 2.877 1.00 0.00 C ATOM 690 O ASP A 187 -4.835 -5.246 2.713 1.00 0.00 O ATOM 691 CB ASP A 187 -2.168 -6.920 1.706 1.00 0.00 C ATOM 692 CG ASP A 187 -1.397 -7.195 0.414 1.00 0.00 C ATOM 693 OD1 ASP A 187 -1.319 -6.299 -0.410 1.00 0.00 O ATOM 694 OD2 ASP A 187 -0.896 -8.298 0.271 1.00 0.00 O ATOM 0 H ASP A 187 -0.612 -5.019 2.008 1.00 0.00 H new ATOM 0 HA ASP A 187 -3.193 -5.269 0.768 1.00 0.00 H new ATOM 0 HB2 ASP A 187 -1.524 -7.090 2.569 1.00 0.00 H new ATOM 0 HB3 ASP A 187 -3.008 -7.609 1.794 1.00 0.00 H new ATOM 699 N ARG A 188 -3.103 -5.128 4.058 1.00 0.00 N ATOM 700 CA ARG A 188 -3.973 -4.927 5.252 1.00 0.00 C ATOM 701 C ARG A 188 -4.839 -3.679 5.064 1.00 0.00 C ATOM 702 O ARG A 188 -6.005 -3.664 5.404 1.00 0.00 O ATOM 703 CB ARG A 188 -3.098 -4.758 6.495 1.00 0.00 C ATOM 704 CG ARG A 188 -2.537 -6.117 6.916 1.00 0.00 C ATOM 705 CD ARG A 188 -2.937 -6.409 8.364 1.00 0.00 C ATOM 706 NE ARG A 188 -3.706 -7.684 8.419 1.00 0.00 N ATOM 707 CZ ARG A 188 -3.696 -8.405 9.507 1.00 0.00 C ATOM 708 NH1 ARG A 188 -4.565 -8.171 10.453 1.00 0.00 N ATOM 709 NH2 ARG A 188 -2.819 -9.361 9.648 1.00 0.00 N ATOM 0 H ARG A 188 -2.101 -5.141 4.251 1.00 0.00 H new ATOM 0 HA ARG A 188 -4.620 -5.795 5.374 1.00 0.00 H new ATOM 0 HB2 ARG A 188 -2.283 -4.065 6.287 1.00 0.00 H new ATOM 0 HB3 ARG A 188 -3.683 -4.327 7.308 1.00 0.00 H new ATOM 0 HG2 ARG A 188 -2.917 -6.899 6.258 1.00 0.00 H new ATOM 0 HG3 ARG A 188 -1.451 -6.119 6.820 1.00 0.00 H new ATOM 0 HD2 ARG A 188 -2.048 -6.481 8.991 1.00 0.00 H new ATOM 0 HD3 ARG A 188 -3.540 -5.591 8.758 1.00 0.00 H new ATOM 0 HE ARG A 188 -4.240 -7.993 7.607 1.00 0.00 H new ATOM 0 HH11 ARG A 188 -5.252 -7.425 10.342 1.00 0.00 H new ATOM 0 HH12 ARG A 188 -4.557 -8.734 11.303 1.00 0.00 H new ATOM 0 HH21 ARG A 188 -2.141 -9.545 8.908 1.00 0.00 H new ATOM 0 HH22 ARG A 188 -2.811 -9.924 10.498 1.00 0.00 H new ATOM 723 N ALA A 189 -4.277 -2.631 4.531 1.00 0.00 N ATOM 724 CA ALA A 189 -5.067 -1.381 4.329 1.00 0.00 C ATOM 725 C ALA A 189 -5.873 -1.483 3.031 1.00 0.00 C ATOM 726 O ALA A 189 -6.840 -0.775 2.833 1.00 0.00 O ATOM 727 CB ALA A 189 -4.115 -0.187 4.245 1.00 0.00 C ATOM 0 H ALA A 189 -3.305 -2.584 4.226 1.00 0.00 H new ATOM 0 HA ALA A 189 -5.750 -1.246 5.167 1.00 0.00 H new ATOM 0 HB1 ALA A 189 -4.690 0.727 4.097 1.00 0.00 H new ATOM 0 HB2 ALA A 189 -3.544 -0.111 5.170 1.00 0.00 H new ATOM 0 HB3 ALA A 189 -3.431 -0.325 3.407 1.00 0.00 H new ATOM 733 N ALA A 190 -5.486 -2.362 2.150 1.00 0.00 N ATOM 734 CA ALA A 190 -6.233 -2.511 0.869 1.00 0.00 C ATOM 735 C ALA A 190 -7.365 -3.521 1.062 1.00 0.00 C ATOM 736 O ALA A 190 -8.219 -3.683 0.213 1.00 0.00 O ATOM 737 CB ALA A 190 -5.284 -3.009 -0.223 1.00 0.00 C ATOM 0 H ALA A 190 -4.685 -2.984 2.261 1.00 0.00 H new ATOM 0 HA ALA A 190 -6.648 -1.547 0.573 1.00 0.00 H new ATOM 0 HB1 ALA A 190 -5.832 -3.118 -1.159 1.00 0.00 H new ATOM 0 HB2 ALA A 190 -4.475 -2.291 -0.357 1.00 0.00 H new ATOM 0 HB3 ALA A 190 -4.869 -3.974 0.068 1.00 0.00 H new ATOM 743 N PHE A 191 -7.376 -4.201 2.175 1.00 0.00 N ATOM 744 CA PHE A 191 -8.450 -5.200 2.429 1.00 0.00 C ATOM 745 C PHE A 191 -9.517 -4.576 3.328 1.00 0.00 C ATOM 746 O PHE A 191 -10.685 -4.898 3.237 1.00 0.00 O ATOM 747 CB PHE A 191 -7.846 -6.425 3.119 1.00 0.00 C ATOM 748 CG PHE A 191 -8.630 -7.660 2.743 1.00 0.00 C ATOM 749 CD1 PHE A 191 -8.260 -8.407 1.616 1.00 0.00 C ATOM 750 CD2 PHE A 191 -9.723 -8.060 3.522 1.00 0.00 C ATOM 751 CE1 PHE A 191 -8.985 -9.554 1.269 1.00 0.00 C ATOM 752 CE2 PHE A 191 -10.448 -9.208 3.175 1.00 0.00 C ATOM 753 CZ PHE A 191 -10.079 -9.955 2.048 1.00 0.00 C ATOM 0 H PHE A 191 -6.686 -4.107 2.920 1.00 0.00 H new ATOM 0 HA PHE A 191 -8.904 -5.503 1.486 1.00 0.00 H new ATOM 0 HB2 PHE A 191 -6.803 -6.542 2.826 1.00 0.00 H new ATOM 0 HB3 PHE A 191 -7.860 -6.289 4.200 1.00 0.00 H new ATOM 0 HD1 PHE A 191 -7.417 -8.098 1.016 1.00 0.00 H new ATOM 0 HD2 PHE A 191 -10.007 -7.484 4.390 1.00 0.00 H new ATOM 0 HE1 PHE A 191 -8.701 -10.130 0.401 1.00 0.00 H new ATOM 0 HE2 PHE A 191 -11.291 -9.517 3.776 1.00 0.00 H new ATOM 0 HZ PHE A 191 -10.638 -10.840 1.780 1.00 0.00 H new ATOM 763 N ARG A 192 -9.127 -3.679 4.192 1.00 0.00 N ATOM 764 CA ARG A 192 -10.121 -3.029 5.089 1.00 0.00 C ATOM 765 C ARG A 192 -10.878 -1.960 4.305 1.00 0.00 C ATOM 766 O ARG A 192 -12.081 -1.829 4.411 1.00 0.00 O ATOM 767 CB ARG A 192 -9.397 -2.378 6.269 1.00 0.00 C ATOM 768 CG ARG A 192 -10.348 -2.293 7.465 1.00 0.00 C ATOM 769 CD ARG A 192 -9.800 -1.293 8.486 1.00 0.00 C ATOM 770 NE ARG A 192 -9.350 -2.023 9.705 1.00 0.00 N ATOM 771 CZ ARG A 192 -10.227 -2.438 10.577 1.00 0.00 C ATOM 772 NH1 ARG A 192 -10.920 -1.574 11.270 1.00 0.00 N ATOM 773 NH2 ARG A 192 -10.411 -3.717 10.761 1.00 0.00 N ATOM 0 H ARG A 192 -8.163 -3.369 4.315 1.00 0.00 H new ATOM 0 HA ARG A 192 -10.821 -3.776 5.463 1.00 0.00 H new ATOM 0 HB2 ARG A 192 -8.514 -2.959 6.533 1.00 0.00 H new ATOM 0 HB3 ARG A 192 -9.052 -1.382 5.993 1.00 0.00 H new ATOM 0 HG2 ARG A 192 -11.339 -1.983 7.133 1.00 0.00 H new ATOM 0 HG3 ARG A 192 -10.458 -3.275 7.925 1.00 0.00 H new ATOM 0 HD2 ARG A 192 -8.968 -0.736 8.055 1.00 0.00 H new ATOM 0 HD3 ARG A 192 -10.569 -0.566 8.748 1.00 0.00 H new ATOM 0 HE ARG A 192 -8.357 -2.198 9.857 1.00 0.00 H new ATOM 0 HH11 ARG A 192 -10.776 -0.574 11.129 1.00 0.00 H new ATOM 0 HH12 ARG A 192 -11.606 -1.899 11.952 1.00 0.00 H new ATOM 0 HH21 ARG A 192 -9.869 -4.393 10.223 1.00 0.00 H new ATOM 0 HH22 ARG A 192 -11.097 -4.041 11.443 1.00 0.00 H new ATOM 787 N MET A 193 -10.178 -1.196 3.515 1.00 0.00 N ATOM 788 CA MET A 193 -10.850 -0.136 2.715 1.00 0.00 C ATOM 789 C MET A 193 -11.703 -0.788 1.627 1.00 0.00 C ATOM 790 O MET A 193 -12.731 -0.272 1.237 1.00 0.00 O ATOM 791 CB MET A 193 -9.792 0.758 2.065 1.00 0.00 C ATOM 792 CG MET A 193 -10.474 1.959 1.408 1.00 0.00 C ATOM 793 SD MET A 193 -9.288 2.819 0.344 1.00 0.00 S ATOM 794 CE MET A 193 -8.220 3.452 1.660 1.00 0.00 C ATOM 0 H MET A 193 -9.168 -1.260 3.389 1.00 0.00 H new ATOM 0 HA MET A 193 -11.485 0.466 3.365 1.00 0.00 H new ATOM 0 HB2 MET A 193 -9.077 1.097 2.814 1.00 0.00 H new ATOM 0 HB3 MET A 193 -9.230 0.193 1.321 1.00 0.00 H new ATOM 0 HG2 MET A 193 -11.331 1.628 0.822 1.00 0.00 H new ATOM 0 HG3 MET A 193 -10.853 2.638 2.172 1.00 0.00 H new ATOM 0 HE1 MET A 193 -7.500 4.154 1.239 1.00 0.00 H new ATOM 0 HE2 MET A 193 -8.827 3.961 2.408 1.00 0.00 H new ATOM 0 HE3 MET A 193 -7.688 2.623 2.127 1.00 0.00 H new ATOM 804 N ARG A 194 -11.286 -1.922 1.138 1.00 0.00 N ATOM 805 CA ARG A 194 -12.074 -2.610 0.080 1.00 0.00 C ATOM 806 C ARG A 194 -12.886 -3.741 0.711 1.00 0.00 C ATOM 807 O ARG A 194 -13.441 -4.579 0.028 1.00 0.00 O ATOM 808 CB ARG A 194 -11.123 -3.184 -0.972 1.00 0.00 C ATOM 809 CG ARG A 194 -10.869 -2.135 -2.056 1.00 0.00 C ATOM 810 CD ARG A 194 -9.599 -2.495 -2.829 1.00 0.00 C ATOM 811 NE ARG A 194 -8.990 -1.254 -3.386 1.00 0.00 N ATOM 812 CZ ARG A 194 -9.389 -0.793 -4.541 1.00 0.00 C ATOM 813 NH1 ARG A 194 -10.655 -0.554 -4.748 1.00 0.00 N ATOM 814 NH2 ARG A 194 -8.519 -0.568 -5.488 1.00 0.00 N ATOM 0 H ARG A 194 -10.433 -2.402 1.426 1.00 0.00 H new ATOM 0 HA ARG A 194 -12.750 -1.899 -0.395 1.00 0.00 H new ATOM 0 HB2 ARG A 194 -10.182 -3.476 -0.506 1.00 0.00 H new ATOM 0 HB3 ARG A 194 -11.553 -4.083 -1.414 1.00 0.00 H new ATOM 0 HG2 ARG A 194 -11.720 -2.086 -2.736 1.00 0.00 H new ATOM 0 HG3 ARG A 194 -10.765 -1.148 -1.605 1.00 0.00 H new ATOM 0 HD2 ARG A 194 -8.890 -2.998 -2.171 1.00 0.00 H new ATOM 0 HD3 ARG A 194 -9.835 -3.191 -3.634 1.00 0.00 H new ATOM 0 HE ARG A 194 -8.262 -0.765 -2.865 1.00 0.00 H new ATOM 0 HH11 ARG A 194 -11.334 -0.727 -4.007 1.00 0.00 H new ATOM 0 HH12 ARG A 194 -10.965 -0.194 -5.651 1.00 0.00 H new ATOM 0 HH21 ARG A 194 -7.529 -0.752 -5.325 1.00 0.00 H new ATOM 0 HH22 ARG A 194 -8.829 -0.208 -6.391 1.00 0.00 H new ATOM 828 N GLY A 195 -12.959 -3.769 2.014 1.00 0.00 N ATOM 829 CA GLY A 195 -13.734 -4.842 2.695 1.00 0.00 C ATOM 830 C GLY A 195 -13.342 -6.203 2.120 1.00 0.00 C ATOM 831 O GLY A 195 -12.253 -6.384 1.611 1.00 0.00 O ATOM 0 H GLY A 195 -12.514 -3.094 2.636 1.00 0.00 H new ATOM 0 HA2 GLY A 195 -13.540 -4.820 3.767 1.00 0.00 H new ATOM 0 HA3 GLY A 195 -14.803 -4.674 2.561 1.00 0.00 H new ATOM 835 N SER A 196 -14.221 -7.164 2.200 1.00 0.00 N ATOM 836 CA SER A 196 -13.900 -8.516 1.661 1.00 0.00 C ATOM 837 C SER A 196 -13.445 -8.395 0.205 1.00 0.00 C ATOM 838 O SER A 196 -13.949 -7.588 -0.550 1.00 0.00 O ATOM 839 CB SER A 196 -15.145 -9.399 1.732 1.00 0.00 C ATOM 840 OG SER A 196 -15.619 -9.434 3.072 1.00 0.00 O ATOM 0 H SER A 196 -15.148 -7.071 2.615 1.00 0.00 H new ATOM 0 HA SER A 196 -13.101 -8.961 2.254 1.00 0.00 H new ATOM 0 HB2 SER A 196 -15.919 -9.010 1.070 1.00 0.00 H new ATOM 0 HB3 SER A 196 -14.910 -10.407 1.390 1.00 0.00 H new ATOM 0 HG SER A 196 -16.419 -9.998 3.121 1.00 0.00 H new ATOM 846 N ARG A 197 -12.496 -9.198 -0.194 1.00 0.00 N ATOM 847 CA ARG A 197 -12.008 -9.137 -1.600 1.00 0.00 C ATOM 848 C ARG A 197 -11.263 -7.822 -1.833 1.00 0.00 C ATOM 849 O ARG A 197 -11.675 -6.773 -1.379 1.00 0.00 O ATOM 850 CB ARG A 197 -13.201 -9.222 -2.556 1.00 0.00 C ATOM 851 CG ARG A 197 -13.181 -10.571 -3.275 1.00 0.00 C ATOM 852 CD ARG A 197 -14.554 -10.842 -3.890 1.00 0.00 C ATOM 853 NE ARG A 197 -14.844 -9.817 -4.931 1.00 0.00 N ATOM 854 CZ ARG A 197 -14.542 -10.051 -6.179 1.00 0.00 C ATOM 855 NH1 ARG A 197 -13.291 -10.118 -6.547 1.00 0.00 N ATOM 856 NH2 ARG A 197 -15.491 -10.218 -7.058 1.00 0.00 N ATOM 0 H ARG A 197 -12.038 -9.894 0.394 1.00 0.00 H new ATOM 0 HA ARG A 197 -11.331 -9.971 -1.783 1.00 0.00 H new ATOM 0 HB2 ARG A 197 -14.133 -9.106 -2.003 1.00 0.00 H new ATOM 0 HB3 ARG A 197 -13.158 -8.410 -3.282 1.00 0.00 H new ATOM 0 HG2 ARG A 197 -12.417 -10.569 -4.052 1.00 0.00 H new ATOM 0 HG3 ARG A 197 -12.922 -11.365 -2.574 1.00 0.00 H new ATOM 0 HD2 ARG A 197 -14.577 -11.839 -4.330 1.00 0.00 H new ATOM 0 HD3 ARG A 197 -15.322 -10.817 -3.117 1.00 0.00 H new ATOM 0 HE ARG A 197 -15.279 -8.932 -4.669 1.00 0.00 H new ATOM 0 HH11 ARG A 197 -12.549 -9.987 -5.859 1.00 0.00 H new ATOM 0 HH12 ARG A 197 -13.055 -10.301 -7.522 1.00 0.00 H new ATOM 0 HH21 ARG A 197 -16.468 -10.166 -6.770 1.00 0.00 H new ATOM 0 HH22 ARG A 197 -15.256 -10.401 -8.034 1.00 0.00 H new ATOM 870 N ALA A 198 -10.167 -7.871 -2.540 1.00 0.00 N ATOM 871 CA ALA A 198 -9.393 -6.628 -2.807 1.00 0.00 C ATOM 872 C ALA A 198 -8.118 -6.977 -3.576 1.00 0.00 C ATOM 873 O ALA A 198 -7.478 -7.977 -3.313 1.00 0.00 O ATOM 874 CB ALA A 198 -9.024 -5.962 -1.482 1.00 0.00 C ATOM 0 H ALA A 198 -9.774 -8.721 -2.945 1.00 0.00 H new ATOM 0 HA ALA A 198 -9.999 -5.943 -3.400 1.00 0.00 H new ATOM 0 HB1 ALA A 198 -8.457 -5.052 -1.678 1.00 0.00 H new ATOM 0 HB2 ALA A 198 -9.933 -5.713 -0.934 1.00 0.00 H new ATOM 0 HB3 ALA A 198 -8.418 -6.646 -0.887 1.00 0.00 H new ATOM 880 N LEU A 199 -7.741 -6.163 -4.522 1.00 0.00 N ATOM 881 CA LEU A 199 -6.506 -6.451 -5.304 1.00 0.00 C ATOM 882 C LEU A 199 -5.283 -5.988 -4.509 1.00 0.00 C ATOM 883 O LEU A 199 -5.044 -4.808 -4.354 1.00 0.00 O ATOM 884 CB LEU A 199 -6.561 -5.699 -6.637 1.00 0.00 C ATOM 885 CG LEU A 199 -6.704 -6.699 -7.784 1.00 0.00 C ATOM 886 CD1 LEU A 199 -6.561 -5.969 -9.121 1.00 0.00 C ATOM 887 CD2 LEU A 199 -5.612 -7.766 -7.669 1.00 0.00 C ATOM 0 H LEU A 199 -8.234 -5.311 -4.788 1.00 0.00 H new ATOM 0 HA LEU A 199 -6.435 -7.522 -5.493 1.00 0.00 H new ATOM 0 HB2 LEU A 199 -7.401 -5.004 -6.640 1.00 0.00 H new ATOM 0 HB3 LEU A 199 -5.656 -5.106 -6.769 1.00 0.00 H new ATOM 0 HG LEU A 199 -7.685 -7.172 -7.731 1.00 0.00 H new ATOM 0 HD11 LEU A 199 -6.663 -6.683 -9.938 1.00 0.00 H new ATOM 0 HD12 LEU A 199 -7.337 -5.208 -9.205 1.00 0.00 H new ATOM 0 HD13 LEU A 199 -5.581 -5.495 -9.174 1.00 0.00 H new ATOM 0 HD21 LEU A 199 -5.713 -8.480 -8.487 1.00 0.00 H new ATOM 0 HD22 LEU A 199 -4.632 -7.291 -7.721 1.00 0.00 H new ATOM 0 HD23 LEU A 199 -5.712 -8.288 -6.717 1.00 0.00 H new ATOM 899 N LEU A 200 -4.503 -6.907 -4.008 1.00 0.00 N ATOM 900 CA LEU A 200 -3.294 -6.507 -3.229 1.00 0.00 C ATOM 901 C LEU A 200 -2.039 -6.978 -3.962 1.00 0.00 C ATOM 902 O LEU A 200 -2.110 -7.563 -5.024 1.00 0.00 O ATOM 903 CB LEU A 200 -3.310 -7.129 -1.822 1.00 0.00 C ATOM 904 CG LEU A 200 -4.531 -8.031 -1.638 1.00 0.00 C ATOM 905 CD1 LEU A 200 -4.339 -8.900 -0.394 1.00 0.00 C ATOM 906 CD2 LEU A 200 -5.777 -7.161 -1.460 1.00 0.00 C ATOM 0 H LEU A 200 -4.648 -7.912 -4.103 1.00 0.00 H new ATOM 0 HA LEU A 200 -3.295 -5.421 -3.133 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -2.399 -7.707 -1.665 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -3.320 -6.339 -1.071 1.00 0.00 H new ATOM 0 HG LEU A 200 -4.650 -8.670 -2.513 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -5.209 -9.543 -0.262 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -3.447 -9.515 -0.514 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -4.224 -8.261 0.482 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -6.651 -7.799 -1.328 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -5.655 -6.527 -0.582 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -5.914 -6.536 -2.343 1.00 0.00 H new ATOM 918 N ASN A 201 -0.890 -6.741 -3.393 1.00 0.00 N ATOM 919 CA ASN A 201 0.371 -7.192 -4.048 1.00 0.00 C ATOM 920 C ASN A 201 0.573 -8.670 -3.727 1.00 0.00 C ATOM 921 O ASN A 201 1.161 -9.410 -4.489 1.00 0.00 O ATOM 922 CB ASN A 201 1.568 -6.394 -3.517 1.00 0.00 C ATOM 923 CG ASN A 201 1.095 -5.086 -2.883 1.00 0.00 C ATOM 924 OD1 ASN A 201 1.307 -4.888 -1.614 1.00 0.00 O flip ATOM 925 ND2 ASN A 201 0.528 -4.240 -3.545 1.00 0.00 N flip ATOM 0 H ASN A 201 -0.769 -6.255 -2.504 1.00 0.00 H new ATOM 0 HA ASN A 201 0.298 -7.035 -5.124 1.00 0.00 H new ATOM 0 HB2 ASN A 201 2.111 -6.987 -2.781 1.00 0.00 H new ATOM 0 HB3 ASN A 201 2.262 -6.182 -4.330 1.00 0.00 H new ATOM 0 HD21 ASN A 201 0.363 -4.397 -4.539 1.00 0.00 H new ATOM 0 HD22 ASN A 201 0.217 -3.373 -3.107 1.00 0.00 H new ATOM 932 N PHE A 202 0.075 -9.100 -2.599 1.00 0.00 N ATOM 933 CA PHE A 202 0.218 -10.530 -2.210 1.00 0.00 C ATOM 934 C PHE A 202 -1.173 -11.132 -1.977 1.00 0.00 C ATOM 935 O PHE A 202 -1.535 -11.425 -0.855 1.00 0.00 O ATOM 936 CB PHE A 202 1.028 -10.631 -0.913 1.00 0.00 C ATOM 937 CG PHE A 202 2.266 -9.773 -1.007 1.00 0.00 C ATOM 938 CD1 PHE A 202 2.936 -9.638 -2.229 1.00 0.00 C ATOM 939 CD2 PHE A 202 2.750 -9.124 0.134 1.00 0.00 C ATOM 940 CE1 PHE A 202 4.091 -8.851 -2.308 1.00 0.00 C ATOM 941 CE2 PHE A 202 3.904 -8.336 0.055 1.00 0.00 C ATOM 942 CZ PHE A 202 4.577 -8.200 -1.165 1.00 0.00 C ATOM 0 H PHE A 202 -0.427 -8.518 -1.928 1.00 0.00 H new ATOM 0 HA PHE A 202 0.730 -11.072 -3.005 1.00 0.00 H new ATOM 0 HB2 PHE A 202 0.418 -10.311 -0.068 1.00 0.00 H new ATOM 0 HB3 PHE A 202 1.308 -11.668 -0.730 1.00 0.00 H new ATOM 0 HD1 PHE A 202 2.562 -10.140 -3.109 1.00 0.00 H new ATOM 0 HD2 PHE A 202 2.233 -9.231 1.076 1.00 0.00 H new ATOM 0 HE1 PHE A 202 4.608 -8.745 -3.250 1.00 0.00 H new ATOM 0 HE2 PHE A 202 4.275 -7.833 0.935 1.00 0.00 H new ATOM 0 HZ PHE A 202 5.469 -7.595 -1.226 1.00 0.00 H new ATOM 952 N PRO A 203 -1.911 -11.300 -3.046 1.00 0.00 N ATOM 953 CA PRO A 203 -3.270 -11.867 -2.988 1.00 0.00 C ATOM 954 C PRO A 203 -3.201 -13.386 -2.792 1.00 0.00 C ATOM 955 O PRO A 203 -2.793 -14.114 -3.675 1.00 0.00 O ATOM 956 CB PRO A 203 -3.864 -11.517 -4.355 1.00 0.00 C ATOM 957 CG PRO A 203 -2.666 -11.284 -5.304 1.00 0.00 C ATOM 958 CD PRO A 203 -1.461 -10.945 -4.407 1.00 0.00 C ATOM 0 HA PRO A 203 -3.865 -11.479 -2.161 1.00 0.00 H new ATOM 0 HB2 PRO A 203 -4.498 -12.324 -4.721 1.00 0.00 H new ATOM 0 HB3 PRO A 203 -4.488 -10.625 -4.291 1.00 0.00 H new ATOM 0 HG2 PRO A 203 -2.467 -12.172 -5.903 1.00 0.00 H new ATOM 0 HG3 PRO A 203 -2.874 -10.471 -5.999 1.00 0.00 H new ATOM 0 HD2 PRO A 203 -0.577 -11.514 -4.695 1.00 0.00 H new ATOM 0 HD3 PRO A 203 -1.197 -9.890 -4.477 1.00 0.00 H new