USER MOD reduce.3.24.130724 H: found=0, std=0, add=354, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 353 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 Set 1.1: A 184 HIS : no HD1:sc= -2.02 K(o=-0.24,f=0.35) USER MOD Set 1.2: A 187 SER OG : rot -89:sc= 1.05 USER MOD Set 1.3: A 188 THR OG1 : rot 85:sc= 0.731 USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 156 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 GLN : amide:sc= -0.248 X(o=-0.25,f=-0.25) USER MOD Single : A 159 HIS : no HD1:sc= -1.19 K(o=-1.2,f=-0.56) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 ASN : amide:sc= -0.101 X(o=-0.1,f=-0.3) USER MOD Single : A 171 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 177 THR OG1 : rot 180:sc= 0 USER MOD Single : A 179 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 182 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00918) USER MOD Single : A 183 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 186 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 189 MET CE :methyl -179:sc= 0 (180deg=-0.00364) USER MOD ----------------------------------------------------------------- ATOM 120 N TRP A 147 13.385 -10.251 -12.885 1.00 0.00 N ATOM 121 CA TRP A 147 14.218 -9.173 -13.393 1.00 0.00 C ATOM 122 C TRP A 147 13.985 -8.998 -14.890 1.00 0.00 C ATOM 123 O TRP A 147 13.511 -9.916 -15.560 1.00 0.00 O ATOM 124 CB TRP A 147 15.686 -9.506 -13.124 1.00 0.00 C ATOM 125 CG TRP A 147 16.185 -9.147 -11.758 1.00 0.00 C ATOM 126 CD1 TRP A 147 15.498 -9.256 -10.606 1.00 0.00 C ATOM 127 CD2 TRP A 147 17.488 -8.622 -11.380 1.00 0.00 C ATOM 128 NE1 TRP A 147 16.257 -8.837 -9.541 1.00 0.00 N ATOM 129 CE2 TRP A 147 17.507 -8.428 -9.962 1.00 0.00 C ATOM 130 CE3 TRP A 147 18.665 -8.291 -12.087 1.00 0.00 C ATOM 131 CZ2 TRP A 147 18.623 -7.931 -9.292 1.00 0.00 C ATOM 132 CZ3 TRP A 147 19.794 -7.787 -11.413 1.00 0.00 C ATOM 133 CH2 TRP A 147 19.770 -7.606 -10.020 1.00 0.00 C ATOM 0 HA TRP A 147 13.959 -8.241 -12.890 1.00 0.00 H new ATOM 0 HB2 TRP A 147 15.833 -10.575 -13.277 1.00 0.00 H new ATOM 0 HB3 TRP A 147 16.299 -8.991 -13.864 1.00 0.00 H new ATOM 0 HD1 TRP A 147 14.485 -9.624 -10.529 1.00 0.00 H new ATOM 0 HE1 TRP A 147 15.941 -8.829 -8.571 1.00 0.00 H new ATOM 0 HE3 TRP A 147 18.700 -8.426 -13.158 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 18.601 -7.798 -8.220 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 20.685 -7.538 -11.971 1.00 0.00 H new ATOM 0 HH2 TRP A 147 20.639 -7.215 -9.512 1.00 0.00 H new ATOM 144 N THR A 148 14.327 -7.819 -15.416 1.00 0.00 N ATOM 145 CA THR A 148 14.182 -7.538 -16.832 1.00 0.00 C ATOM 146 C THR A 148 15.358 -8.165 -17.584 1.00 0.00 C ATOM 147 O THR A 148 16.457 -8.279 -17.036 1.00 0.00 O ATOM 148 CB THR A 148 14.122 -6.020 -17.039 1.00 0.00 C ATOM 149 OG1 THR A 148 13.225 -5.455 -16.106 1.00 0.00 O ATOM 150 CG2 THR A 148 13.639 -5.703 -18.456 1.00 0.00 C ATOM 0 H THR A 148 14.708 -7.045 -14.872 1.00 0.00 H new ATOM 0 HA THR A 148 13.259 -7.968 -17.221 1.00 0.00 H new ATOM 0 HB THR A 148 15.118 -5.602 -16.897 1.00 0.00 H new ATOM 0 HG1 THR A 148 13.187 -4.484 -16.236 1.00 0.00 H new ATOM 0 HG21 THR A 148 13.600 -4.622 -18.594 1.00 0.00 H new ATOM 0 HG22 THR A 148 14.328 -6.136 -19.181 1.00 0.00 H new ATOM 0 HG23 THR A 148 12.645 -6.124 -18.604 1.00 0.00 H new ATOM 158 N GLU A 149 15.125 -8.582 -18.837 1.00 0.00 N ATOM 159 CA GLU A 149 16.157 -9.230 -19.637 1.00 0.00 C ATOM 160 C GLU A 149 17.399 -8.344 -19.744 1.00 0.00 C ATOM 161 O GLU A 149 18.516 -8.844 -19.695 1.00 0.00 O ATOM 162 CB GLU A 149 15.605 -9.557 -21.030 1.00 0.00 C ATOM 163 CG GLU A 149 16.283 -10.824 -21.564 1.00 0.00 C ATOM 164 CD GLU A 149 16.033 -10.999 -23.058 1.00 0.00 C ATOM 165 OE1 GLU A 149 14.870 -10.794 -23.467 1.00 0.00 O ATOM 166 OE2 GLU A 149 17.013 -11.333 -23.763 1.00 0.00 O ATOM 0 H GLU A 149 14.228 -8.479 -19.312 1.00 0.00 H new ATOM 0 HA GLU A 149 16.450 -10.158 -19.145 1.00 0.00 H new ATOM 0 HB2 GLU A 149 14.526 -9.703 -20.980 1.00 0.00 H new ATOM 0 HB3 GLU A 149 15.783 -8.723 -21.709 1.00 0.00 H new ATOM 0 HG2 GLU A 149 17.355 -10.772 -21.376 1.00 0.00 H new ATOM 0 HG3 GLU A 149 15.907 -11.694 -21.026 1.00 0.00 H new ATOM 173 N GLU A 150 17.208 -7.025 -19.893 1.00 0.00 N ATOM 174 CA GLU A 150 18.326 -6.099 -20.014 1.00 0.00 C ATOM 175 C GLU A 150 19.265 -6.236 -18.808 1.00 0.00 C ATOM 176 O GLU A 150 20.483 -6.230 -18.974 1.00 0.00 O ATOM 177 CB GLU A 150 17.806 -4.661 -20.171 1.00 0.00 C ATOM 178 CG GLU A 150 17.058 -4.209 -18.913 1.00 0.00 C ATOM 179 CD GLU A 150 16.249 -2.949 -19.189 1.00 0.00 C ATOM 180 OE1 GLU A 150 15.224 -3.077 -19.892 1.00 0.00 O ATOM 181 OE2 GLU A 150 16.671 -1.882 -18.694 1.00 0.00 O ATOM 0 H GLU A 150 16.289 -6.584 -19.932 1.00 0.00 H new ATOM 0 HA GLU A 150 18.901 -6.344 -20.907 1.00 0.00 H new ATOM 0 HB2 GLU A 150 18.641 -3.987 -20.364 1.00 0.00 H new ATOM 0 HB3 GLU A 150 17.143 -4.602 -21.034 1.00 0.00 H new ATOM 0 HG2 GLU A 150 16.395 -5.005 -18.573 1.00 0.00 H new ATOM 0 HG3 GLU A 150 17.770 -4.021 -18.109 1.00 0.00 H new ATOM 188 N GLU A 151 18.703 -6.368 -17.597 1.00 0.00 N ATOM 189 CA GLU A 151 19.509 -6.522 -16.397 1.00 0.00 C ATOM 190 C GLU A 151 20.213 -7.876 -16.427 1.00 0.00 C ATOM 191 O GLU A 151 21.421 -7.942 -16.244 1.00 0.00 O ATOM 192 CB GLU A 151 18.630 -6.416 -15.145 1.00 0.00 C ATOM 193 CG GLU A 151 18.020 -5.018 -15.026 1.00 0.00 C ATOM 194 CD GLU A 151 17.276 -4.874 -13.700 1.00 0.00 C ATOM 195 OE1 GLU A 151 16.099 -5.292 -13.660 1.00 0.00 O ATOM 196 OE2 GLU A 151 17.902 -4.349 -12.748 1.00 0.00 O ATOM 0 H GLU A 151 17.696 -6.370 -17.433 1.00 0.00 H new ATOM 0 HA GLU A 151 20.254 -5.727 -16.365 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.836 -7.162 -15.188 1.00 0.00 H new ATOM 0 HB3 GLU A 151 19.225 -6.635 -14.258 1.00 0.00 H new ATOM 0 HG2 GLU A 151 18.805 -4.265 -15.094 1.00 0.00 H new ATOM 0 HG3 GLU A 151 17.336 -4.841 -15.856 1.00 0.00 H new ATOM 203 N ASP A 152 19.445 -8.951 -16.660 1.00 0.00 N ATOM 204 CA ASP A 152 19.974 -10.313 -16.696 1.00 0.00 C ATOM 205 C ASP A 152 21.172 -10.417 -17.648 1.00 0.00 C ATOM 206 O ASP A 152 22.252 -10.855 -17.247 1.00 0.00 O ATOM 207 CB ASP A 152 18.853 -11.264 -17.135 1.00 0.00 C ATOM 208 CG ASP A 152 19.397 -12.651 -17.458 1.00 0.00 C ATOM 209 OD1 ASP A 152 20.241 -13.125 -16.670 1.00 0.00 O ATOM 210 OD2 ASP A 152 18.959 -13.208 -18.486 1.00 0.00 O ATOM 0 H ASP A 152 18.440 -8.895 -16.828 1.00 0.00 H new ATOM 0 HA ASP A 152 20.325 -10.588 -15.702 1.00 0.00 H new ATOM 0 HB2 ASP A 152 18.107 -11.339 -16.344 1.00 0.00 H new ATOM 0 HB3 ASP A 152 18.349 -10.856 -18.011 1.00 0.00 H new ATOM 215 N ARG A 153 20.972 -10.022 -18.910 1.00 0.00 N ATOM 216 CA ARG A 153 22.014 -10.086 -19.928 1.00 0.00 C ATOM 217 C ARG A 153 23.300 -9.441 -19.414 1.00 0.00 C ATOM 218 O ARG A 153 24.371 -10.046 -19.472 1.00 0.00 O ATOM 219 CB ARG A 153 21.527 -9.369 -21.191 1.00 0.00 C ATOM 220 CG ARG A 153 20.395 -10.169 -21.846 1.00 0.00 C ATOM 221 CD ARG A 153 19.702 -9.308 -22.907 1.00 0.00 C ATOM 222 NE ARG A 153 20.472 -9.290 -24.158 1.00 0.00 N ATOM 223 CZ ARG A 153 20.353 -10.225 -25.122 1.00 0.00 C ATOM 224 NH1 ARG A 153 19.397 -11.168 -25.056 1.00 0.00 N ATOM 225 NH2 ARG A 153 21.198 -10.215 -26.160 1.00 0.00 N ATOM 0 H ARG A 153 20.084 -9.651 -19.249 1.00 0.00 H new ATOM 0 HA ARG A 153 22.227 -11.129 -20.163 1.00 0.00 H new ATOM 0 HB2 ARG A 153 21.177 -8.368 -20.939 1.00 0.00 H new ATOM 0 HB3 ARG A 153 22.353 -9.250 -21.893 1.00 0.00 H new ATOM 0 HG2 ARG A 153 20.794 -11.075 -22.302 1.00 0.00 H new ATOM 0 HG3 ARG A 153 19.674 -10.483 -21.091 1.00 0.00 H new ATOM 0 HD2 ARG A 153 18.701 -9.696 -23.098 1.00 0.00 H new ATOM 0 HD3 ARG A 153 19.584 -8.291 -22.534 1.00 0.00 H new ATOM 0 HE ARG A 153 21.133 -8.528 -24.305 1.00 0.00 H new ATOM 0 HH11 ARG A 153 18.749 -11.183 -24.269 1.00 0.00 H new ATOM 0 HH12 ARG A 153 19.320 -11.869 -25.793 1.00 0.00 H new ATOM 0 HH21 ARG A 153 21.926 -9.503 -26.218 1.00 0.00 H new ATOM 0 HH22 ARG A 153 21.114 -10.919 -26.893 1.00 0.00 H new ATOM 239 N ILE A 154 23.189 -8.206 -18.917 1.00 0.00 N ATOM 240 CA ILE A 154 24.335 -7.466 -18.418 1.00 0.00 C ATOM 241 C ILE A 154 24.909 -8.143 -17.171 1.00 0.00 C ATOM 242 O ILE A 154 26.113 -8.135 -16.977 1.00 0.00 O ATOM 243 CB ILE A 154 23.903 -6.023 -18.102 1.00 0.00 C ATOM 244 CG1 ILE A 154 23.426 -5.309 -19.385 1.00 0.00 C ATOM 245 CG2 ILE A 154 25.073 -5.254 -17.472 1.00 0.00 C ATOM 246 CD1 ILE A 154 24.607 -4.937 -20.289 1.00 0.00 C ATOM 0 H ILE A 154 22.306 -7.700 -18.852 1.00 0.00 H new ATOM 0 HA ILE A 154 25.116 -7.450 -19.178 1.00 0.00 H new ATOM 0 HB ILE A 154 23.074 -6.052 -17.395 1.00 0.00 H new ATOM 0 HG12 ILE A 154 22.739 -5.956 -19.930 1.00 0.00 H new ATOM 0 HG13 ILE A 154 22.872 -4.409 -19.118 1.00 0.00 H new ATOM 0 HG21 ILE A 154 24.761 -4.233 -17.251 1.00 0.00 H new ATOM 0 HG22 ILE A 154 25.378 -5.748 -16.550 1.00 0.00 H new ATOM 0 HG23 ILE A 154 25.912 -5.234 -18.168 1.00 0.00 H new ATOM 0 HD11 ILE A 154 24.237 -4.436 -21.183 1.00 0.00 H new ATOM 0 HD12 ILE A 154 25.280 -4.269 -19.752 1.00 0.00 H new ATOM 0 HD13 ILE A 154 25.145 -5.841 -20.576 1.00 0.00 H new ATOM 258 N LEU A 155 24.048 -8.719 -16.329 1.00 0.00 N ATOM 259 CA LEU A 155 24.481 -9.359 -15.092 1.00 0.00 C ATOM 260 C LEU A 155 25.481 -10.475 -15.388 1.00 0.00 C ATOM 261 O LEU A 155 26.585 -10.476 -14.846 1.00 0.00 O ATOM 262 CB LEU A 155 23.245 -9.906 -14.350 1.00 0.00 C ATOM 263 CG LEU A 155 23.544 -10.131 -12.860 1.00 0.00 C ATOM 264 CD1 LEU A 155 23.949 -8.807 -12.207 1.00 0.00 C ATOM 265 CD2 LEU A 155 22.282 -10.661 -12.176 1.00 0.00 C ATOM 0 H LEU A 155 23.041 -8.753 -16.486 1.00 0.00 H new ATOM 0 HA LEU A 155 24.983 -8.628 -14.458 1.00 0.00 H new ATOM 0 HB2 LEU A 155 22.416 -9.207 -14.455 1.00 0.00 H new ATOM 0 HB3 LEU A 155 22.930 -10.845 -14.806 1.00 0.00 H new ATOM 0 HG LEU A 155 24.358 -10.848 -12.756 1.00 0.00 H new ATOM 0 HD11 LEU A 155 24.160 -8.972 -11.150 1.00 0.00 H new ATOM 0 HD12 LEU A 155 24.840 -8.417 -12.698 1.00 0.00 H new ATOM 0 HD13 LEU A 155 23.136 -8.088 -12.307 1.00 0.00 H new ATOM 0 HD21 LEU A 155 22.483 -10.824 -11.117 1.00 0.00 H new ATOM 0 HD22 LEU A 155 21.477 -9.934 -12.284 1.00 0.00 H new ATOM 0 HD23 LEU A 155 21.986 -11.603 -12.638 1.00 0.00 H new ATOM 277 N TYR A 156 25.094 -11.425 -16.245 1.00 0.00 N ATOM 278 CA TYR A 156 25.945 -12.557 -16.584 1.00 0.00 C ATOM 279 C TYR A 156 27.249 -12.085 -17.233 1.00 0.00 C ATOM 280 O TYR A 156 28.333 -12.478 -16.804 1.00 0.00 O ATOM 281 CB TYR A 156 25.179 -13.495 -17.524 1.00 0.00 C ATOM 282 CG TYR A 156 26.013 -14.640 -18.078 1.00 0.00 C ATOM 283 CD1 TYR A 156 26.927 -15.326 -17.252 1.00 0.00 C ATOM 284 CD2 TYR A 156 25.863 -15.025 -19.423 1.00 0.00 C ATOM 285 CE1 TYR A 156 27.682 -16.391 -17.771 1.00 0.00 C ATOM 286 CE2 TYR A 156 26.623 -16.089 -19.940 1.00 0.00 C ATOM 287 CZ TYR A 156 27.530 -16.772 -19.115 1.00 0.00 C ATOM 288 OH TYR A 156 28.264 -17.807 -19.615 1.00 0.00 O ATOM 0 H TYR A 156 24.190 -11.427 -16.717 1.00 0.00 H new ATOM 0 HA TYR A 156 26.208 -13.094 -15.673 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.324 -13.909 -16.989 1.00 0.00 H new ATOM 0 HB3 TYR A 156 24.783 -12.913 -18.356 1.00 0.00 H new ATOM 0 HD1 TYR A 156 27.047 -15.032 -16.220 1.00 0.00 H new ATOM 0 HD2 TYR A 156 25.163 -14.503 -20.059 1.00 0.00 H new ATOM 0 HE1 TYR A 156 28.380 -16.917 -17.137 1.00 0.00 H new ATOM 0 HE2 TYR A 156 26.509 -16.381 -20.973 1.00 0.00 H new ATOM 0 HH TYR A 156 28.038 -17.942 -20.559 1.00 0.00 H new ATOM 298 N GLN A 157 27.141 -11.251 -18.271 1.00 0.00 N ATOM 299 CA GLN A 157 28.309 -10.759 -18.989 1.00 0.00 C ATOM 300 C GLN A 157 29.244 -10.006 -18.040 1.00 0.00 C ATOM 301 O GLN A 157 30.445 -10.272 -18.013 1.00 0.00 O ATOM 302 CB GLN A 157 27.852 -9.847 -20.134 1.00 0.00 C ATOM 303 CG GLN A 157 27.106 -10.667 -21.196 1.00 0.00 C ATOM 304 CD GLN A 157 28.032 -11.677 -21.867 1.00 0.00 C ATOM 305 OE1 GLN A 157 27.915 -12.878 -21.638 1.00 0.00 O ATOM 306 NE2 GLN A 157 28.953 -11.187 -22.697 1.00 0.00 N ATOM 0 H GLN A 157 26.251 -10.904 -18.630 1.00 0.00 H new ATOM 0 HA GLN A 157 28.860 -11.604 -19.402 1.00 0.00 H new ATOM 0 HB2 GLN A 157 27.202 -9.062 -19.747 1.00 0.00 H new ATOM 0 HB3 GLN A 157 28.714 -9.354 -20.583 1.00 0.00 H new ATOM 0 HG2 GLN A 157 26.269 -11.189 -20.733 1.00 0.00 H new ATOM 0 HG3 GLN A 157 26.688 -9.998 -21.948 1.00 0.00 H new ATOM 0 HE21 GLN A 157 29.013 -10.181 -22.856 1.00 0.00 H new ATOM 0 HE22 GLN A 157 29.598 -11.818 -23.173 1.00 0.00 H new ATOM 315 N ALA A 158 28.692 -9.068 -17.267 1.00 0.00 N ATOM 316 CA ALA A 158 29.472 -8.259 -16.342 1.00 0.00 C ATOM 317 C ALA A 158 30.193 -9.143 -15.328 1.00 0.00 C ATOM 318 O ALA A 158 31.332 -8.861 -14.967 1.00 0.00 O ATOM 319 CB ALA A 158 28.549 -7.274 -15.629 1.00 0.00 C ATOM 0 H ALA A 158 27.695 -8.852 -17.268 1.00 0.00 H new ATOM 0 HA ALA A 158 30.226 -7.706 -16.902 1.00 0.00 H new ATOM 0 HB1 ALA A 158 29.131 -6.667 -14.936 1.00 0.00 H new ATOM 0 HB2 ALA A 158 28.070 -6.627 -16.364 1.00 0.00 H new ATOM 0 HB3 ALA A 158 27.786 -7.824 -15.078 1.00 0.00 H new ATOM 325 N HIS A 159 29.529 -10.214 -14.868 1.00 0.00 N ATOM 326 CA HIS A 159 30.111 -11.123 -13.891 1.00 0.00 C ATOM 327 C HIS A 159 31.437 -11.690 -14.403 1.00 0.00 C ATOM 328 O HIS A 159 32.319 -12.010 -13.611 1.00 0.00 O ATOM 329 CB HIS A 159 29.126 -12.252 -13.586 1.00 0.00 C ATOM 330 CG HIS A 159 29.482 -12.983 -12.324 1.00 0.00 C ATOM 331 ND1 HIS A 159 29.993 -14.274 -12.317 1.00 0.00 N ATOM 332 CD2 HIS A 159 29.415 -12.622 -11.006 1.00 0.00 C ATOM 333 CE1 HIS A 159 30.197 -14.604 -11.026 1.00 0.00 C ATOM 334 NE2 HIS A 159 29.863 -13.636 -10.171 1.00 0.00 N ATOM 0 H HIS A 159 28.586 -10.465 -15.163 1.00 0.00 H new ATOM 0 HA HIS A 159 30.313 -10.571 -12.973 1.00 0.00 H new ATOM 0 HB2 HIS A 159 28.120 -11.841 -13.496 1.00 0.00 H new ATOM 0 HB3 HIS A 159 29.110 -12.954 -14.420 1.00 0.00 H new ATOM 0 HD2 HIS A 159 29.057 -11.664 -10.658 1.00 0.00 H new ATOM 0 HE1 HIS A 159 30.592 -15.559 -10.714 1.00 0.00 H new ATOM 0 HE2 HIS A 159 29.922 -13.640 -9.153 1.00 0.00 H new ATOM 342 N LYS A 160 31.577 -11.822 -15.727 1.00 0.00 N ATOM 343 CA LYS A 160 32.799 -12.337 -16.320 1.00 0.00 C ATOM 344 C LYS A 160 33.757 -11.189 -16.643 1.00 0.00 C ATOM 345 O LYS A 160 34.924 -11.232 -16.258 1.00 0.00 O ATOM 346 CB LYS A 160 32.455 -13.128 -17.590 1.00 0.00 C ATOM 347 CG LYS A 160 31.600 -14.356 -17.242 1.00 0.00 C ATOM 348 CD LYS A 160 32.375 -15.285 -16.300 1.00 0.00 C ATOM 349 CE LYS A 160 31.767 -16.689 -16.338 1.00 0.00 C ATOM 350 NZ LYS A 160 32.509 -17.603 -15.453 1.00 0.00 N ATOM 0 H LYS A 160 30.853 -11.577 -16.402 1.00 0.00 H new ATOM 0 HA LYS A 160 33.293 -13.001 -15.611 1.00 0.00 H new ATOM 0 HB2 LYS A 160 31.916 -12.489 -18.289 1.00 0.00 H new ATOM 0 HB3 LYS A 160 33.371 -13.445 -18.088 1.00 0.00 H new ATOM 0 HG2 LYS A 160 30.670 -14.040 -16.770 1.00 0.00 H new ATOM 0 HG3 LYS A 160 31.330 -14.891 -18.152 1.00 0.00 H new ATOM 0 HD2 LYS A 160 33.423 -15.325 -16.596 1.00 0.00 H new ATOM 0 HD3 LYS A 160 32.345 -14.894 -15.283 1.00 0.00 H new ATOM 0 HE2 LYS A 160 30.722 -16.646 -16.031 1.00 0.00 H new ATOM 0 HE3 LYS A 160 31.784 -17.070 -17.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 32.080 -18.550 -15.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 33.500 -17.658 -15.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 32.471 -17.247 -14.476 1.00 0.00 H new ATOM 364 N ARG A 161 33.267 -10.170 -17.362 1.00 0.00 N ATOM 365 CA ARG A 161 34.095 -9.039 -17.780 1.00 0.00 C ATOM 366 C ARG A 161 34.682 -8.317 -16.565 1.00 0.00 C ATOM 367 O ARG A 161 35.900 -8.199 -16.452 1.00 0.00 O ATOM 368 CB ARG A 161 33.257 -8.073 -18.634 1.00 0.00 C ATOM 369 CG ARG A 161 33.461 -8.353 -20.133 1.00 0.00 C ATOM 370 CD ARG A 161 32.838 -9.701 -20.526 1.00 0.00 C ATOM 371 NE ARG A 161 33.739 -10.824 -20.221 1.00 0.00 N ATOM 372 CZ ARG A 161 34.817 -11.131 -20.965 1.00 0.00 C ATOM 373 NH1 ARG A 161 35.112 -10.415 -22.059 1.00 0.00 N ATOM 374 NH2 ARG A 161 35.599 -12.158 -20.609 1.00 0.00 N ATOM 0 H ARG A 161 32.295 -10.109 -17.666 1.00 0.00 H new ATOM 0 HA ARG A 161 34.926 -9.412 -18.379 1.00 0.00 H new ATOM 0 HB2 ARG A 161 32.202 -8.177 -18.380 1.00 0.00 H new ATOM 0 HB3 ARG A 161 33.539 -7.044 -18.410 1.00 0.00 H new ATOM 0 HG2 ARG A 161 33.010 -7.554 -20.721 1.00 0.00 H new ATOM 0 HG3 ARG A 161 34.526 -8.358 -20.365 1.00 0.00 H new ATOM 0 HD2 ARG A 161 31.896 -9.835 -19.995 1.00 0.00 H new ATOM 0 HD3 ARG A 161 32.606 -9.699 -21.591 1.00 0.00 H new ATOM 0 HE ARG A 161 33.536 -11.399 -19.404 1.00 0.00 H new ATOM 0 HH11 ARG A 161 34.518 -9.632 -22.332 1.00 0.00 H new ATOM 0 HH12 ARG A 161 35.931 -10.653 -22.619 1.00 0.00 H new ATOM 0 HH21 ARG A 161 35.376 -12.704 -19.777 1.00 0.00 H new ATOM 0 HH22 ARG A 161 36.417 -12.394 -21.170 1.00 0.00 H new ATOM 388 N LEU A 162 33.820 -7.830 -15.661 1.00 0.00 N ATOM 389 CA LEU A 162 34.271 -7.107 -14.475 1.00 0.00 C ATOM 390 C LEU A 162 34.502 -8.085 -13.316 1.00 0.00 C ATOM 391 O LEU A 162 34.623 -7.661 -12.169 1.00 0.00 O ATOM 392 CB LEU A 162 33.225 -6.043 -14.068 1.00 0.00 C ATOM 393 CG LEU A 162 33.069 -4.923 -15.126 1.00 0.00 C ATOM 394 CD1 LEU A 162 34.400 -4.616 -15.821 1.00 0.00 C ATOM 395 CD2 LEU A 162 32.019 -5.317 -16.171 1.00 0.00 C ATOM 0 H LEU A 162 32.807 -7.926 -15.733 1.00 0.00 H new ATOM 0 HA LEU A 162 35.211 -6.606 -14.708 1.00 0.00 H new ATOM 0 HB2 LEU A 162 32.261 -6.528 -13.913 1.00 0.00 H new ATOM 0 HB3 LEU A 162 33.515 -5.600 -13.116 1.00 0.00 H new ATOM 0 HG LEU A 162 32.741 -4.024 -14.605 1.00 0.00 H new ATOM 0 HD11 LEU A 162 34.252 -3.825 -16.557 1.00 0.00 H new ATOM 0 HD12 LEU A 162 35.131 -4.291 -15.080 1.00 0.00 H new ATOM 0 HD13 LEU A 162 34.765 -5.513 -16.321 1.00 0.00 H new ATOM 0 HD21 LEU A 162 31.921 -4.519 -16.907 1.00 0.00 H new ATOM 0 HD22 LEU A 162 32.329 -6.235 -16.670 1.00 0.00 H new ATOM 0 HD23 LEU A 162 31.059 -5.477 -15.680 1.00 0.00 H new ATOM 407 N GLY A 163 34.564 -9.391 -13.607 1.00 0.00 N ATOM 408 CA GLY A 163 34.769 -10.393 -12.578 1.00 0.00 C ATOM 409 C GLY A 163 33.614 -10.365 -11.578 1.00 0.00 C ATOM 410 O GLY A 163 32.552 -9.820 -11.866 1.00 0.00 O ATOM 0 H GLY A 163 34.474 -9.769 -14.550 1.00 0.00 H new ATOM 0 HA2 GLY A 163 34.843 -11.381 -13.032 1.00 0.00 H new ATOM 0 HA3 GLY A 163 35.711 -10.208 -12.062 1.00 0.00 H new ATOM 414 N ASN A 164 33.824 -10.950 -10.395 1.00 0.00 N ATOM 415 CA ASN A 164 32.799 -11.003 -9.357 1.00 0.00 C ATOM 416 C ASN A 164 32.777 -9.703 -8.541 1.00 0.00 C ATOM 417 O ASN A 164 32.438 -9.720 -7.355 1.00 0.00 O ATOM 418 CB ASN A 164 33.065 -12.221 -8.467 1.00 0.00 C ATOM 419 CG ASN A 164 34.437 -12.135 -7.800 1.00 0.00 C ATOM 420 OD1 ASN A 164 35.408 -12.691 -8.303 1.00 0.00 O ATOM 421 ND2 ASN A 164 34.514 -11.437 -6.667 1.00 0.00 N ATOM 0 H ASN A 164 34.703 -11.396 -10.134 1.00 0.00 H new ATOM 0 HA ASN A 164 31.815 -11.104 -9.816 1.00 0.00 H new ATOM 0 HB2 ASN A 164 32.291 -12.291 -7.703 1.00 0.00 H new ATOM 0 HB3 ASN A 164 33.006 -13.130 -9.065 1.00 0.00 H new ATOM 0 HD21 ASN A 164 35.407 -11.349 -6.182 1.00 0.00 H new ATOM 0 HD22 ASN A 164 33.680 -10.991 -6.285 1.00 0.00 H new ATOM 428 N ARG A 165 33.124 -8.573 -9.175 1.00 0.00 N ATOM 429 CA ARG A 165 33.105 -7.275 -8.518 1.00 0.00 C ATOM 430 C ARG A 165 31.671 -6.752 -8.518 1.00 0.00 C ATOM 431 O ARG A 165 31.365 -5.787 -9.204 1.00 0.00 O ATOM 432 CB ARG A 165 34.030 -6.302 -9.261 1.00 0.00 C ATOM 433 CG ARG A 165 35.474 -6.816 -9.234 1.00 0.00 C ATOM 434 CD ARG A 165 36.367 -5.855 -10.026 1.00 0.00 C ATOM 435 NE ARG A 165 37.743 -6.362 -10.119 1.00 0.00 N ATOM 436 CZ ARG A 165 38.652 -6.217 -9.140 1.00 0.00 C ATOM 437 NH1 ARG A 165 38.320 -5.614 -7.989 1.00 0.00 N ATOM 438 NH2 ARG A 165 39.899 -6.677 -9.315 1.00 0.00 N ATOM 0 H ARG A 165 33.422 -8.542 -10.150 1.00 0.00 H new ATOM 0 HA ARG A 165 33.460 -7.368 -7.492 1.00 0.00 H new ATOM 0 HB2 ARG A 165 33.696 -6.188 -10.292 1.00 0.00 H new ATOM 0 HB3 ARG A 165 33.979 -5.316 -8.799 1.00 0.00 H new ATOM 0 HG2 ARG A 165 35.826 -6.893 -8.205 1.00 0.00 H new ATOM 0 HG3 ARG A 165 35.525 -7.816 -9.664 1.00 0.00 H new ATOM 0 HD2 ARG A 165 35.959 -5.717 -11.027 1.00 0.00 H new ATOM 0 HD3 ARG A 165 36.369 -4.877 -9.545 1.00 0.00 H new ATOM 0 HE ARG A 165 38.023 -6.849 -10.970 1.00 0.00 H new ATOM 0 HH11 ARG A 165 37.372 -5.262 -7.852 1.00 0.00 H new ATOM 0 HH12 ARG A 165 39.015 -5.507 -7.250 1.00 0.00 H new ATOM 0 HH21 ARG A 165 40.155 -7.135 -10.189 1.00 0.00 H new ATOM 0 HH22 ARG A 165 40.591 -6.568 -8.574 1.00 0.00 H new ATOM 452 N TRP A 166 30.795 -7.409 -7.750 1.00 0.00 N ATOM 453 CA TRP A 166 29.381 -7.058 -7.680 1.00 0.00 C ATOM 454 C TRP A 166 29.179 -5.548 -7.490 1.00 0.00 C ATOM 455 O TRP A 166 28.286 -4.966 -8.106 1.00 0.00 O ATOM 456 CB TRP A 166 28.731 -7.852 -6.552 1.00 0.00 C ATOM 457 CG TRP A 166 28.577 -9.318 -6.844 1.00 0.00 C ATOM 458 CD1 TRP A 166 29.141 -10.322 -6.153 1.00 0.00 C ATOM 459 CD2 TRP A 166 27.816 -9.968 -7.909 1.00 0.00 C ATOM 460 NE1 TRP A 166 28.784 -11.542 -6.673 1.00 0.00 N ATOM 461 CE2 TRP A 166 27.953 -11.383 -7.765 1.00 0.00 C ATOM 462 CE3 TRP A 166 27.019 -9.513 -8.985 1.00 0.00 C ATOM 463 CZ2 TRP A 166 27.324 -12.289 -8.622 1.00 0.00 C ATOM 464 CZ3 TRP A 166 26.392 -10.426 -9.860 1.00 0.00 C ATOM 465 CH2 TRP A 166 26.540 -11.809 -9.674 1.00 0.00 C ATOM 0 H TRP A 166 31.052 -8.200 -7.160 1.00 0.00 H new ATOM 0 HA TRP A 166 28.904 -7.316 -8.626 1.00 0.00 H new ATOM 0 HB2 TRP A 166 29.328 -7.733 -5.648 1.00 0.00 H new ATOM 0 HB3 TRP A 166 27.748 -7.429 -6.343 1.00 0.00 H new ATOM 0 HD1 TRP A 166 29.790 -10.188 -5.300 1.00 0.00 H new ATOM 0 HE1 TRP A 166 29.090 -12.442 -6.304 1.00 0.00 H new ATOM 0 HE3 TRP A 166 26.888 -8.452 -9.139 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 27.443 -13.352 -8.473 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 25.793 -10.057 -10.680 1.00 0.00 H new ATOM 0 HH2 TRP A 166 26.049 -12.501 -10.343 1.00 0.00 H new ATOM 476 N ALA A 167 30.006 -4.918 -6.649 1.00 0.00 N ATOM 477 CA ALA A 167 29.910 -3.483 -6.404 1.00 0.00 C ATOM 478 C ALA A 167 30.077 -2.712 -7.718 1.00 0.00 C ATOM 479 O ALA A 167 29.345 -1.759 -7.977 1.00 0.00 O ATOM 480 CB ALA A 167 30.984 -3.072 -5.397 1.00 0.00 C ATOM 0 H ALA A 167 30.749 -5.384 -6.128 1.00 0.00 H new ATOM 0 HA ALA A 167 28.928 -3.246 -5.994 1.00 0.00 H new ATOM 0 HB1 ALA A 167 30.917 -2.000 -5.210 1.00 0.00 H new ATOM 0 HB2 ALA A 167 30.833 -3.613 -4.463 1.00 0.00 H new ATOM 0 HB3 ALA A 167 31.969 -3.309 -5.799 1.00 0.00 H new ATOM 486 N GLU A 168 31.042 -3.134 -8.542 1.00 0.00 N ATOM 487 CA GLU A 168 31.314 -2.492 -9.818 1.00 0.00 C ATOM 488 C GLU A 168 30.212 -2.835 -10.822 1.00 0.00 C ATOM 489 O GLU A 168 29.770 -1.973 -11.574 1.00 0.00 O ATOM 490 CB GLU A 168 32.683 -2.960 -10.326 1.00 0.00 C ATOM 491 CG GLU A 168 33.135 -2.086 -11.500 1.00 0.00 C ATOM 492 CD GLU A 168 34.478 -2.559 -12.047 1.00 0.00 C ATOM 493 OE1 GLU A 168 35.290 -3.043 -11.227 1.00 0.00 O ATOM 494 OE2 GLU A 168 34.668 -2.428 -13.275 1.00 0.00 O ATOM 0 H GLU A 168 31.650 -3.927 -8.338 1.00 0.00 H new ATOM 0 HA GLU A 168 31.330 -1.409 -9.695 1.00 0.00 H new ATOM 0 HB2 GLU A 168 33.416 -2.908 -9.521 1.00 0.00 H new ATOM 0 HB3 GLU A 168 32.627 -4.003 -10.639 1.00 0.00 H new ATOM 0 HG2 GLU A 168 32.385 -2.116 -12.291 1.00 0.00 H new ATOM 0 HG3 GLU A 168 33.215 -1.048 -11.176 1.00 0.00 H new ATOM 501 N ILE A 169 29.770 -4.098 -10.833 1.00 0.00 N ATOM 502 CA ILE A 169 28.734 -4.551 -11.751 1.00 0.00 C ATOM 503 C ILE A 169 27.471 -3.707 -11.579 1.00 0.00 C ATOM 504 O ILE A 169 26.849 -3.318 -12.567 1.00 0.00 O ATOM 505 CB ILE A 169 28.432 -6.037 -11.494 1.00 0.00 C ATOM 506 CG1 ILE A 169 29.652 -6.884 -11.886 1.00 0.00 C ATOM 507 CG2 ILE A 169 27.211 -6.465 -12.320 1.00 0.00 C ATOM 508 CD1 ILE A 169 29.419 -8.350 -11.514 1.00 0.00 C ATOM 0 H ILE A 169 30.121 -4.825 -10.209 1.00 0.00 H new ATOM 0 HA ILE A 169 29.085 -4.435 -12.776 1.00 0.00 H new ATOM 0 HB ILE A 169 28.217 -6.187 -10.436 1.00 0.00 H new ATOM 0 HG12 ILE A 169 29.835 -6.798 -12.957 1.00 0.00 H new ATOM 0 HG13 ILE A 169 30.542 -6.510 -11.380 1.00 0.00 H new ATOM 0 HG21 ILE A 169 26.999 -7.518 -12.137 1.00 0.00 H new ATOM 0 HG22 ILE A 169 26.348 -5.865 -12.031 1.00 0.00 H new ATOM 0 HG23 ILE A 169 27.418 -6.316 -13.380 1.00 0.00 H new ATOM 0 HD11 ILE A 169 30.291 -8.940 -11.797 1.00 0.00 H new ATOM 0 HD12 ILE A 169 29.259 -8.432 -10.439 1.00 0.00 H new ATOM 0 HD13 ILE A 169 28.541 -8.724 -12.041 1.00 0.00 H new ATOM 520 N ALA A 170 27.086 -3.428 -10.327 1.00 0.00 N ATOM 521 CA ALA A 170 25.878 -2.662 -10.056 1.00 0.00 C ATOM 522 C ALA A 170 25.975 -1.245 -10.619 1.00 0.00 C ATOM 523 O ALA A 170 24.954 -0.578 -10.756 1.00 0.00 O ATOM 524 CB ALA A 170 25.607 -2.620 -8.560 1.00 0.00 C ATOM 0 H ALA A 170 27.596 -3.723 -9.494 1.00 0.00 H new ATOM 0 HA ALA A 170 25.047 -3.161 -10.555 1.00 0.00 H new ATOM 0 HB1 ALA A 170 24.701 -2.044 -8.370 1.00 0.00 H new ATOM 0 HB2 ALA A 170 25.477 -3.635 -8.185 1.00 0.00 H new ATOM 0 HB3 ALA A 170 26.449 -2.150 -8.051 1.00 0.00 H new ATOM 530 N LYS A 171 27.186 -0.781 -10.959 1.00 0.00 N ATOM 531 CA LYS A 171 27.355 0.538 -11.551 1.00 0.00 C ATOM 532 C LYS A 171 26.571 0.598 -12.866 1.00 0.00 C ATOM 533 O LYS A 171 26.092 1.661 -13.258 1.00 0.00 O ATOM 534 CB LYS A 171 28.845 0.807 -11.784 1.00 0.00 C ATOM 535 CG LYS A 171 29.066 2.287 -12.106 1.00 0.00 C ATOM 536 CD LYS A 171 30.564 2.548 -12.285 1.00 0.00 C ATOM 537 CE LYS A 171 30.792 4.021 -12.629 1.00 0.00 C ATOM 538 NZ LYS A 171 32.226 4.303 -12.820 1.00 0.00 N ATOM 0 H LYS A 171 28.054 -1.302 -10.832 1.00 0.00 H new ATOM 0 HA LYS A 171 26.972 1.307 -10.880 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.416 0.530 -10.898 1.00 0.00 H new ATOM 0 HB3 LYS A 171 29.210 0.189 -12.604 1.00 0.00 H new ATOM 0 HG2 LYS A 171 28.527 2.558 -13.014 1.00 0.00 H new ATOM 0 HG3 LYS A 171 28.670 2.909 -11.303 1.00 0.00 H new ATOM 0 HD2 LYS A 171 31.100 2.291 -11.371 1.00 0.00 H new ATOM 0 HD3 LYS A 171 30.962 1.914 -13.077 1.00 0.00 H new ATOM 0 HE2 LYS A 171 30.244 4.275 -13.536 1.00 0.00 H new ATOM 0 HE3 LYS A 171 30.397 4.650 -11.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 32.354 5.309 -13.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 32.743 4.081 -11.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 32.594 3.718 -13.597 1.00 0.00 H new ATOM 552 N LEU A 172 26.441 -0.556 -13.541 1.00 0.00 N ATOM 553 CA LEU A 172 25.703 -0.654 -14.788 1.00 0.00 C ATOM 554 C LEU A 172 24.215 -0.878 -14.497 1.00 0.00 C ATOM 555 O LEU A 172 23.371 -0.569 -15.335 1.00 0.00 O ATOM 556 CB LEU A 172 26.259 -1.814 -15.627 1.00 0.00 C ATOM 557 CG LEU A 172 27.710 -1.524 -16.050 1.00 0.00 C ATOM 558 CD1 LEU A 172 28.687 -2.238 -15.108 1.00 0.00 C ATOM 559 CD2 LEU A 172 27.933 -2.025 -17.479 1.00 0.00 C ATOM 0 H LEU A 172 26.847 -1.438 -13.230 1.00 0.00 H new ATOM 0 HA LEU A 172 25.815 0.275 -15.347 1.00 0.00 H new ATOM 0 HB2 LEU A 172 26.219 -2.739 -15.052 1.00 0.00 H new ATOM 0 HB3 LEU A 172 25.639 -1.962 -16.511 1.00 0.00 H new ATOM 0 HG LEU A 172 27.885 -0.449 -16.001 1.00 0.00 H new ATOM 0 HD11 LEU A 172 29.711 -2.026 -15.417 1.00 0.00 H new ATOM 0 HD12 LEU A 172 28.534 -1.883 -14.089 1.00 0.00 H new ATOM 0 HD13 LEU A 172 28.511 -3.313 -15.148 1.00 0.00 H new ATOM 0 HD21 LEU A 172 28.960 -1.820 -17.780 1.00 0.00 H new ATOM 0 HD22 LEU A 172 27.750 -3.099 -17.521 1.00 0.00 H new ATOM 0 HD23 LEU A 172 27.248 -1.513 -18.155 1.00 0.00 H new ATOM 571 N LEU A 173 23.896 -1.417 -13.309 1.00 0.00 N ATOM 572 CA LEU A 173 22.515 -1.687 -12.931 1.00 0.00 C ATOM 573 C LEU A 173 21.844 -0.387 -12.464 1.00 0.00 C ATOM 574 O LEU A 173 22.507 0.473 -11.888 1.00 0.00 O ATOM 575 CB LEU A 173 22.473 -2.755 -11.831 1.00 0.00 C ATOM 576 CG LEU A 173 23.109 -4.067 -12.332 1.00 0.00 C ATOM 577 CD1 LEU A 173 23.059 -5.112 -11.217 1.00 0.00 C ATOM 578 CD2 LEU A 173 22.346 -4.599 -13.551 1.00 0.00 C ATOM 0 H LEU A 173 24.582 -1.672 -12.599 1.00 0.00 H new ATOM 0 HA LEU A 173 21.968 -2.067 -13.794 1.00 0.00 H new ATOM 0 HB2 LEU A 173 23.005 -2.399 -10.949 1.00 0.00 H new ATOM 0 HB3 LEU A 173 21.441 -2.935 -11.529 1.00 0.00 H new ATOM 0 HG LEU A 173 24.143 -3.870 -12.616 1.00 0.00 H new ATOM 0 HD11 LEU A 173 23.508 -6.041 -11.569 1.00 0.00 H new ATOM 0 HD12 LEU A 173 23.611 -4.747 -10.351 1.00 0.00 H new ATOM 0 HD13 LEU A 173 22.022 -5.294 -10.935 1.00 0.00 H new ATOM 0 HD21 LEU A 173 22.807 -5.526 -13.893 1.00 0.00 H new ATOM 0 HD22 LEU A 173 21.309 -4.790 -13.276 1.00 0.00 H new ATOM 0 HD23 LEU A 173 22.379 -3.860 -14.352 1.00 0.00 H new ATOM 590 N PRO A 174 20.523 -0.235 -12.716 1.00 0.00 N ATOM 591 CA PRO A 174 19.783 0.955 -12.336 1.00 0.00 C ATOM 592 C PRO A 174 19.927 1.252 -10.842 1.00 0.00 C ATOM 593 O PRO A 174 20.208 2.386 -10.461 1.00 0.00 O ATOM 594 CB PRO A 174 18.323 0.682 -12.715 1.00 0.00 C ATOM 595 CG PRO A 174 18.298 -0.660 -13.456 1.00 0.00 C ATOM 596 CD PRO A 174 19.714 -1.231 -13.392 1.00 0.00 C ATOM 0 HA PRO A 174 20.166 1.837 -12.849 1.00 0.00 H new ATOM 0 HB2 PRO A 174 17.694 0.644 -11.826 1.00 0.00 H new ATOM 0 HB3 PRO A 174 17.933 1.479 -13.347 1.00 0.00 H new ATOM 0 HG2 PRO A 174 17.585 -1.343 -12.993 1.00 0.00 H new ATOM 0 HG3 PRO A 174 17.983 -0.524 -14.491 1.00 0.00 H new ATOM 0 HD2 PRO A 174 19.728 -2.177 -12.850 1.00 0.00 H new ATOM 0 HD3 PRO A 174 20.098 -1.431 -14.392 1.00 0.00 H new ATOM 604 N GLY A 175 19.734 0.233 -9.995 1.00 0.00 N ATOM 605 CA GLY A 175 19.842 0.403 -8.556 1.00 0.00 C ATOM 606 C GLY A 175 19.608 -0.925 -7.851 1.00 0.00 C ATOM 607 O GLY A 175 18.601 -1.095 -7.162 1.00 0.00 O ATOM 0 H GLY A 175 19.502 -0.716 -10.290 1.00 0.00 H new ATOM 0 HA2 GLY A 175 20.829 0.789 -8.301 1.00 0.00 H new ATOM 0 HA3 GLY A 175 19.114 1.138 -8.214 1.00 0.00 H new ATOM 611 N ARG A 176 20.544 -1.864 -8.030 1.00 0.00 N ATOM 612 CA ARG A 176 20.463 -3.180 -7.412 1.00 0.00 C ATOM 613 C ARG A 176 21.583 -3.309 -6.376 1.00 0.00 C ATOM 614 O ARG A 176 22.746 -3.064 -6.692 1.00 0.00 O ATOM 615 CB ARG A 176 20.600 -4.266 -8.492 1.00 0.00 C ATOM 616 CG ARG A 176 19.562 -4.074 -9.613 1.00 0.00 C ATOM 617 CD ARG A 176 18.144 -4.299 -9.076 1.00 0.00 C ATOM 618 NE ARG A 176 17.480 -3.020 -8.793 1.00 0.00 N ATOM 619 CZ ARG A 176 16.748 -2.344 -9.698 1.00 0.00 C ATOM 620 NH1 ARG A 176 16.637 -2.785 -10.960 1.00 0.00 N ATOM 621 NH2 ARG A 176 16.129 -1.213 -9.335 1.00 0.00 N ATOM 0 H ARG A 176 21.374 -1.728 -8.607 1.00 0.00 H new ATOM 0 HA ARG A 176 19.500 -3.305 -6.917 1.00 0.00 H new ATOM 0 HB2 ARG A 176 21.604 -4.237 -8.915 1.00 0.00 H new ATOM 0 HB3 ARG A 176 20.473 -5.250 -8.040 1.00 0.00 H new ATOM 0 HG2 ARG A 176 19.646 -3.069 -10.026 1.00 0.00 H new ATOM 0 HG3 ARG A 176 19.764 -4.771 -10.427 1.00 0.00 H new ATOM 0 HD2 ARG A 176 17.561 -4.863 -9.804 1.00 0.00 H new ATOM 0 HD3 ARG A 176 18.186 -4.900 -8.168 1.00 0.00 H new ATOM 0 HE ARG A 176 17.579 -2.622 -7.859 1.00 0.00 H new ATOM 0 HH11 ARG A 176 17.111 -3.643 -11.244 1.00 0.00 H new ATOM 0 HH12 ARG A 176 16.079 -2.263 -11.636 1.00 0.00 H new ATOM 0 HH21 ARG A 176 16.214 -0.869 -8.378 1.00 0.00 H new ATOM 0 HH22 ARG A 176 15.573 -0.695 -10.015 1.00 0.00 H new ATOM 635 N THR A 177 21.233 -3.687 -5.140 1.00 0.00 N ATOM 636 CA THR A 177 22.212 -3.835 -4.067 1.00 0.00 C ATOM 637 C THR A 177 22.934 -5.176 -4.212 1.00 0.00 C ATOM 638 O THR A 177 22.326 -6.153 -4.632 1.00 0.00 O ATOM 639 CB THR A 177 21.491 -3.746 -2.716 1.00 0.00 C ATOM 640 OG1 THR A 177 20.511 -2.730 -2.770 1.00 0.00 O ATOM 641 CG2 THR A 177 22.495 -3.421 -1.610 1.00 0.00 C ATOM 0 H THR A 177 20.274 -3.896 -4.862 1.00 0.00 H new ATOM 0 HA THR A 177 22.954 -3.039 -4.124 1.00 0.00 H new ATOM 0 HB THR A 177 21.016 -4.704 -2.502 1.00 0.00 H new ATOM 0 HG1 THR A 177 20.049 -2.675 -1.907 1.00 0.00 H new ATOM 0 HG21 THR A 177 21.976 -3.359 -0.654 1.00 0.00 H new ATOM 0 HG22 THR A 177 23.251 -4.205 -1.563 1.00 0.00 H new ATOM 0 HG23 THR A 177 22.976 -2.466 -1.824 1.00 0.00 H new ATOM 649 N ASP A 178 24.232 -5.214 -3.867 1.00 0.00 N ATOM 650 CA ASP A 178 25.051 -6.425 -3.979 1.00 0.00 C ATOM 651 C ASP A 178 24.318 -7.638 -3.407 1.00 0.00 C ATOM 652 O ASP A 178 24.197 -8.664 -4.076 1.00 0.00 O ATOM 653 CB ASP A 178 26.379 -6.219 -3.243 1.00 0.00 C ATOM 654 CG ASP A 178 27.113 -4.985 -3.754 1.00 0.00 C ATOM 655 OD1 ASP A 178 26.585 -3.873 -3.525 1.00 0.00 O ATOM 656 OD2 ASP A 178 28.187 -5.177 -4.358 1.00 0.00 O ATOM 0 H ASP A 178 24.739 -4.407 -3.504 1.00 0.00 H new ATOM 0 HA ASP A 178 25.245 -6.614 -5.035 1.00 0.00 H new ATOM 0 HB2 ASP A 178 26.192 -6.116 -2.174 1.00 0.00 H new ATOM 0 HB3 ASP A 178 27.009 -7.099 -3.373 1.00 0.00 H new ATOM 661 N ASN A 179 23.834 -7.524 -2.166 1.00 0.00 N ATOM 662 CA ASN A 179 23.129 -8.615 -1.505 1.00 0.00 C ATOM 663 C ASN A 179 21.968 -9.102 -2.372 1.00 0.00 C ATOM 664 O ASN A 179 21.810 -10.303 -2.579 1.00 0.00 O ATOM 665 CB ASN A 179 22.621 -8.136 -0.144 1.00 0.00 C ATOM 666 CG ASN A 179 21.838 -9.239 0.559 1.00 0.00 C ATOM 667 OD1 ASN A 179 20.611 -9.225 0.564 1.00 0.00 O ATOM 668 ND2 ASN A 179 22.551 -10.198 1.151 1.00 0.00 N ATOM 0 H ASN A 179 23.921 -6.680 -1.600 1.00 0.00 H new ATOM 0 HA ASN A 179 23.813 -9.451 -1.358 1.00 0.00 H new ATOM 0 HB2 ASN A 179 23.463 -7.829 0.476 1.00 0.00 H new ATOM 0 HB3 ASN A 179 21.986 -7.260 -0.275 1.00 0.00 H new ATOM 0 HD21 ASN A 179 22.077 -10.961 1.634 1.00 0.00 H new ATOM 0 HD22 ASN A 179 23.570 -10.168 1.121 1.00 0.00 H new ATOM 675 N ALA A 180 21.155 -8.166 -2.873 1.00 0.00 N ATOM 676 CA ALA A 180 20.002 -8.498 -3.694 1.00 0.00 C ATOM 677 C ALA A 180 20.442 -9.110 -5.024 1.00 0.00 C ATOM 678 O ALA A 180 19.777 -9.998 -5.540 1.00 0.00 O ATOM 679 CB ALA A 180 19.177 -7.235 -3.935 1.00 0.00 C ATOM 0 H ALA A 180 21.282 -7.166 -2.718 1.00 0.00 H new ATOM 0 HA ALA A 180 19.393 -9.236 -3.172 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.311 -7.478 -4.550 1.00 0.00 H new ATOM 0 HB2 ALA A 180 18.842 -6.832 -2.980 1.00 0.00 H new ATOM 0 HB3 ALA A 180 19.789 -6.493 -4.447 1.00 0.00 H new ATOM 685 N ILE A 181 21.562 -8.631 -5.581 1.00 0.00 N ATOM 686 CA ILE A 181 22.069 -9.128 -6.850 1.00 0.00 C ATOM 687 C ILE A 181 22.472 -10.579 -6.714 1.00 0.00 C ATOM 688 O ILE A 181 22.153 -11.386 -7.568 1.00 0.00 O ATOM 689 CB ILE A 181 23.271 -8.301 -7.296 1.00 0.00 C ATOM 690 CG1 ILE A 181 22.795 -6.945 -7.780 1.00 0.00 C ATOM 691 CG2 ILE A 181 23.985 -9.021 -8.434 1.00 0.00 C ATOM 692 CD1 ILE A 181 23.907 -5.914 -7.599 1.00 0.00 C ATOM 0 H ILE A 181 22.132 -7.895 -5.163 1.00 0.00 H new ATOM 0 HA ILE A 181 21.281 -9.043 -7.598 1.00 0.00 H new ATOM 0 HB ILE A 181 23.957 -8.171 -6.459 1.00 0.00 H new ATOM 0 HG12 ILE A 181 22.507 -7.003 -8.830 1.00 0.00 H new ATOM 0 HG13 ILE A 181 21.909 -6.640 -7.223 1.00 0.00 H new ATOM 0 HG21 ILE A 181 24.844 -8.432 -8.755 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.323 -9.999 -8.091 1.00 0.00 H new ATOM 0 HG23 ILE A 181 23.299 -9.148 -9.272 1.00 0.00 H new ATOM 0 HD11 ILE A 181 23.561 -4.941 -7.948 1.00 0.00 H new ATOM 0 HD12 ILE A 181 24.173 -5.848 -6.544 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.781 -6.217 -8.176 1.00 0.00 H new ATOM 704 N LYS A 182 23.184 -10.907 -5.645 1.00 0.00 N ATOM 705 CA LYS A 182 23.633 -12.261 -5.412 1.00 0.00 C ATOM 706 C LYS A 182 22.456 -13.135 -5.061 1.00 0.00 C ATOM 707 O LYS A 182 22.373 -14.271 -5.518 1.00 0.00 O ATOM 708 CB LYS A 182 24.633 -12.262 -4.289 1.00 0.00 C ATOM 709 CG LYS A 182 25.952 -11.711 -4.797 1.00 0.00 C ATOM 710 CD LYS A 182 26.660 -10.985 -3.650 1.00 0.00 C ATOM 711 CE LYS A 182 26.738 -11.899 -2.411 1.00 0.00 C ATOM 712 NZ LYS A 182 27.620 -13.054 -2.657 1.00 0.00 N ATOM 0 H LYS A 182 23.462 -10.243 -4.923 1.00 0.00 H new ATOM 0 HA LYS A 182 24.103 -12.654 -6.314 1.00 0.00 H new ATOM 0 HB2 LYS A 182 24.267 -11.657 -3.460 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.770 -13.274 -3.909 1.00 0.00 H new ATOM 0 HG2 LYS A 182 26.578 -12.519 -5.175 1.00 0.00 H new ATOM 0 HG3 LYS A 182 25.780 -11.026 -5.627 1.00 0.00 H new ATOM 0 HD2 LYS A 182 27.663 -10.692 -3.959 1.00 0.00 H new ATOM 0 HD3 LYS A 182 26.123 -10.069 -3.403 1.00 0.00 H new ATOM 0 HE2 LYS A 182 27.109 -11.330 -1.558 1.00 0.00 H new ATOM 0 HE3 LYS A 182 25.739 -12.249 -2.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 27.681 -13.634 -1.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 27.233 -13.627 -3.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 28.569 -12.717 -2.915 1.00 0.00 H new ATOM 726 N ASN A 183 21.537 -12.609 -4.248 1.00 0.00 N ATOM 727 CA ASN A 183 20.361 -13.355 -3.884 1.00 0.00 C ATOM 728 C ASN A 183 19.618 -13.710 -5.171 1.00 0.00 C ATOM 729 O ASN A 183 19.168 -14.841 -5.350 1.00 0.00 O ATOM 730 CB ASN A 183 19.480 -12.519 -2.951 1.00 0.00 C ATOM 731 CG ASN A 183 18.185 -13.255 -2.627 1.00 0.00 C ATOM 732 OD1 ASN A 183 17.131 -12.920 -3.158 1.00 0.00 O ATOM 733 ND2 ASN A 183 18.266 -14.257 -1.753 1.00 0.00 N ATOM 0 H ASN A 183 21.596 -11.676 -3.839 1.00 0.00 H new ATOM 0 HA ASN A 183 20.629 -14.267 -3.351 1.00 0.00 H new ATOM 0 HB2 ASN A 183 20.021 -12.302 -2.030 1.00 0.00 H new ATOM 0 HB3 ASN A 183 19.252 -11.562 -3.419 1.00 0.00 H new ATOM 0 HD21 ASN A 183 17.429 -14.782 -1.500 1.00 0.00 H new ATOM 0 HD22 ASN A 183 19.165 -14.499 -1.337 1.00 0.00 H new ATOM 740 N HIS A 184 19.517 -12.721 -6.075 1.00 0.00 N ATOM 741 CA HIS A 184 18.889 -12.896 -7.370 1.00 0.00 C ATOM 742 C HIS A 184 19.691 -13.899 -8.199 1.00 0.00 C ATOM 743 O HIS A 184 19.120 -14.789 -8.816 1.00 0.00 O ATOM 744 CB HIS A 184 18.834 -11.547 -8.108 1.00 0.00 C ATOM 745 CG HIS A 184 18.292 -11.700 -9.502 1.00 0.00 C ATOM 746 ND1 HIS A 184 17.008 -12.161 -9.764 1.00 0.00 N ATOM 747 CD2 HIS A 184 18.850 -11.489 -10.736 1.00 0.00 C ATOM 748 CE1 HIS A 184 16.876 -12.198 -11.106 1.00 0.00 C ATOM 749 NE2 HIS A 184 17.968 -11.801 -11.760 1.00 0.00 N ATOM 0 H HIS A 184 19.874 -11.779 -5.915 1.00 0.00 H new ATOM 0 HA HIS A 184 17.875 -13.271 -7.228 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.209 -10.851 -7.549 1.00 0.00 H new ATOM 0 HB3 HIS A 184 19.833 -11.114 -8.151 1.00 0.00 H new ATOM 0 HD2 HIS A 184 19.854 -11.124 -10.892 1.00 0.00 H new ATOM 0 HE1 HIS A 184 15.972 -12.518 -11.603 1.00 0.00 H new ATOM 0 HE2 HIS A 184 18.118 -11.741 -12.767 1.00 0.00 H new ATOM 757 N TRP A 185 21.020 -13.733 -8.218 1.00 0.00 N ATOM 758 CA TRP A 185 21.901 -14.570 -9.013 1.00 0.00 C ATOM 759 C TRP A 185 21.722 -16.041 -8.636 1.00 0.00 C ATOM 760 O TRP A 185 21.340 -16.852 -9.470 1.00 0.00 O ATOM 761 CB TRP A 185 23.358 -14.121 -8.839 1.00 0.00 C ATOM 762 CG TRP A 185 24.321 -14.816 -9.746 1.00 0.00 C ATOM 763 CD1 TRP A 185 25.309 -15.642 -9.365 1.00 0.00 C ATOM 764 CD2 TRP A 185 24.397 -14.761 -11.199 1.00 0.00 C ATOM 765 NE1 TRP A 185 26.000 -16.113 -10.455 1.00 0.00 N ATOM 766 CE2 TRP A 185 25.474 -15.599 -11.628 1.00 0.00 C ATOM 767 CE3 TRP A 185 23.667 -14.090 -12.206 1.00 0.00 C ATOM 768 CZ2 TRP A 185 25.802 -15.762 -12.976 1.00 0.00 C ATOM 769 CZ3 TRP A 185 23.997 -14.251 -13.567 1.00 0.00 C ATOM 770 CH2 TRP A 185 25.055 -15.091 -13.949 1.00 0.00 C ATOM 0 H TRP A 185 21.505 -13.014 -7.681 1.00 0.00 H new ATOM 0 HA TRP A 185 21.639 -14.462 -10.066 1.00 0.00 H new ATOM 0 HB2 TRP A 185 23.420 -13.047 -9.015 1.00 0.00 H new ATOM 0 HB3 TRP A 185 23.659 -14.293 -7.806 1.00 0.00 H new ATOM 0 HD1 TRP A 185 25.530 -15.901 -8.340 1.00 0.00 H new ATOM 0 HE1 TRP A 185 26.792 -16.754 -10.407 1.00 0.00 H new ATOM 0 HE3 TRP A 185 22.846 -13.446 -11.929 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 26.624 -16.400 -13.264 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 23.432 -13.724 -14.322 1.00 0.00 H new ATOM 0 HH2 TRP A 185 25.292 -15.219 -14.995 1.00 0.00 H new ATOM 781 N ASN A 186 22.001 -16.374 -7.376 1.00 0.00 N ATOM 782 CA ASN A 186 21.917 -17.742 -6.882 1.00 0.00 C ATOM 783 C ASN A 186 20.549 -18.372 -7.177 1.00 0.00 C ATOM 784 O ASN A 186 20.482 -19.516 -7.621 1.00 0.00 O ATOM 785 CB ASN A 186 22.187 -17.736 -5.375 1.00 0.00 C ATOM 786 CG ASN A 186 21.924 -19.109 -4.764 1.00 0.00 C ATOM 787 OD1 ASN A 186 22.710 -20.035 -4.948 1.00 0.00 O ATOM 788 ND2 ASN A 186 20.814 -19.240 -4.035 1.00 0.00 N ATOM 0 H ASN A 186 22.292 -15.698 -6.670 1.00 0.00 H new ATOM 0 HA ASN A 186 22.664 -18.347 -7.397 1.00 0.00 H new ATOM 0 HB2 ASN A 186 23.220 -17.444 -5.189 1.00 0.00 H new ATOM 0 HB3 ASN A 186 21.553 -16.992 -4.892 1.00 0.00 H new ATOM 0 HD21 ASN A 186 20.590 -20.137 -3.604 1.00 0.00 H new ATOM 0 HD22 ASN A 186 20.190 -18.443 -3.909 1.00 0.00 H new ATOM 795 N SER A 187 19.464 -17.639 -6.914 1.00 0.00 N ATOM 796 CA SER A 187 18.117 -18.170 -7.089 1.00 0.00 C ATOM 797 C SER A 187 17.748 -18.319 -8.570 1.00 0.00 C ATOM 798 O SER A 187 17.093 -19.292 -8.941 1.00 0.00 O ATOM 799 CB SER A 187 17.116 -17.251 -6.380 1.00 0.00 C ATOM 800 OG SER A 187 17.171 -15.957 -6.942 1.00 0.00 O ATOM 0 H SER A 187 19.496 -16.676 -6.579 1.00 0.00 H new ATOM 0 HA SER A 187 18.083 -19.166 -6.648 1.00 0.00 H new ATOM 0 HB2 SER A 187 16.108 -17.655 -6.474 1.00 0.00 H new ATOM 0 HB3 SER A 187 17.343 -17.204 -5.315 1.00 0.00 H new ATOM 0 HG SER A 187 17.848 -15.425 -6.474 1.00 0.00 H new ATOM 806 N THR A 188 18.144 -17.354 -9.405 1.00 0.00 N ATOM 807 CA THR A 188 17.768 -17.350 -10.813 1.00 0.00 C ATOM 808 C THR A 188 18.677 -18.252 -11.647 1.00 0.00 C ATOM 809 O THR A 188 18.186 -19.154 -12.325 1.00 0.00 O ATOM 810 CB THR A 188 17.805 -15.908 -11.335 1.00 0.00 C ATOM 811 OG1 THR A 188 16.989 -15.100 -10.516 1.00 0.00 O ATOM 812 CG2 THR A 188 17.284 -15.856 -12.772 1.00 0.00 C ATOM 0 H THR A 188 18.727 -16.565 -9.125 1.00 0.00 H new ATOM 0 HA THR A 188 16.758 -17.750 -10.905 1.00 0.00 H new ATOM 0 HB THR A 188 18.833 -15.545 -11.315 1.00 0.00 H new ATOM 0 HG1 THR A 188 17.504 -14.796 -9.739 1.00 0.00 H new ATOM 0 HG21 THR A 188 17.314 -14.828 -13.133 1.00 0.00 H new ATOM 0 HG22 THR A 188 17.909 -16.483 -13.408 1.00 0.00 H new ATOM 0 HG23 THR A 188 16.257 -16.220 -12.800 1.00 0.00 H new ATOM 820 N MET A 189 19.993 -18.003 -11.621 1.00 0.00 N ATOM 821 CA MET A 189 20.930 -18.752 -12.450 1.00 0.00 C ATOM 822 C MET A 189 22.292 -18.869 -11.766 1.00 0.00 C ATOM 823 O MET A 189 22.914 -17.866 -11.418 1.00 0.00 O ATOM 824 CB MET A 189 21.054 -18.059 -13.816 1.00 0.00 C ATOM 825 CG MET A 189 21.561 -16.618 -13.647 1.00 0.00 C ATOM 826 SD MET A 189 21.033 -15.494 -14.962 1.00 0.00 S ATOM 827 CE MET A 189 21.924 -16.224 -16.356 1.00 0.00 C ATOM 0 H MET A 189 20.426 -17.290 -11.035 1.00 0.00 H new ATOM 0 HA MET A 189 20.555 -19.765 -12.595 1.00 0.00 H new ATOM 0 HB2 MET A 189 21.739 -18.619 -14.453 1.00 0.00 H new ATOM 0 HB3 MET A 189 20.086 -18.053 -14.316 1.00 0.00 H new ATOM 0 HG2 MET A 189 21.212 -16.231 -12.690 1.00 0.00 H new ATOM 0 HG3 MET A 189 22.650 -16.629 -13.608 1.00 0.00 H new ATOM 0 HE1 MET A 189 21.728 -15.643 -17.257 1.00 0.00 H new ATOM 0 HE2 MET A 189 22.994 -16.220 -16.147 1.00 0.00 H new ATOM 0 HE3 MET A 189 21.588 -17.250 -16.506 1.00 0.00 H new