USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 471 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 192 TYR OH : rot 22:sc= 0.511 USER MOD Set 1.2: A 197 LYS NZ :NH3+ -153:sc= -1.75! (180deg=-2.08!) USER MOD Single : A 186 GLN : amide:sc= -0.225 X(o=-0.22,f=-0.23) USER MOD Single : A 202 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 203 CYS SG : rot 180:sc= -0.828 USER MOD Single : A 204 TYR OH : rot -116:sc= -1 USER MOD Single : A 214 HIS : no HD1:sc= -3.7 K(o=-3.7,f=-2.5) USER MOD Single : A 217 SER OG : rot 180:sc= 0 USER MOD Single : A 220 SER OG : rot 180:sc= 0 USER MOD Single : A 223 THR OG1 : rot 180:sc= 0.324 USER MOD Single : A 229 GLN : amide:sc= 0.53 K(o=0.53,f=-0.95) USER MOD Single : A 230 GLN : amide:sc= -0.228 K(o=-0.23,f=-0.75) USER MOD Single : A 235 MET CE :methyl -106:sc= -1.74 (180deg=-8.5!) USER MOD ----------------------------------------------------------------- ATOM 135 N ASP A 181 12.186 2.870 -1.071 1.00 0.00 N ATOM 136 CA ASP A 181 11.888 3.097 -2.514 1.00 0.00 C ATOM 137 C ASP A 181 10.504 3.751 -2.641 1.00 0.00 C ATOM 138 O ASP A 181 9.482 3.139 -2.371 1.00 0.00 O ATOM 139 CB ASP A 181 11.888 1.752 -3.258 1.00 0.00 C ATOM 140 CG ASP A 181 13.317 1.178 -3.323 1.00 0.00 C ATOM 141 OD1 ASP A 181 13.762 0.624 -2.326 1.00 0.00 O ATOM 142 OD2 ASP A 181 13.943 1.290 -4.369 1.00 0.00 O ATOM 0 HA ASP A 181 12.647 3.748 -2.948 1.00 0.00 H new ATOM 0 HB2 ASP A 181 11.228 1.048 -2.751 1.00 0.00 H new ATOM 0 HB3 ASP A 181 11.496 1.886 -4.266 1.00 0.00 H new ATOM 147 N GLU A 182 10.470 5.006 -3.022 1.00 0.00 N ATOM 148 CA GLU A 182 9.171 5.724 -3.151 1.00 0.00 C ATOM 149 C GLU A 182 8.294 5.045 -4.200 1.00 0.00 C ATOM 150 O GLU A 182 7.096 4.930 -4.033 1.00 0.00 O ATOM 151 CB GLU A 182 9.425 7.164 -3.573 1.00 0.00 C ATOM 152 CG GLU A 182 10.047 7.940 -2.413 1.00 0.00 C ATOM 153 CD GLU A 182 8.969 8.239 -1.363 1.00 0.00 C ATOM 154 OE1 GLU A 182 8.001 8.898 -1.710 1.00 0.00 O ATOM 155 OE2 GLU A 182 9.125 7.802 -0.234 1.00 0.00 O ATOM 0 H GLU A 182 11.293 5.563 -3.249 1.00 0.00 H new ATOM 0 HA GLU A 182 8.661 5.703 -2.188 1.00 0.00 H new ATOM 0 HB2 GLU A 182 10.090 7.188 -4.437 1.00 0.00 H new ATOM 0 HB3 GLU A 182 8.490 7.634 -3.877 1.00 0.00 H new ATOM 0 HG2 GLU A 182 10.855 7.361 -1.966 1.00 0.00 H new ATOM 0 HG3 GLU A 182 10.484 8.870 -2.776 1.00 0.00 H new ATOM 162 N ASP A 183 8.876 4.609 -5.292 1.00 0.00 N ATOM 163 CA ASP A 183 8.068 3.957 -6.353 1.00 0.00 C ATOM 164 C ASP A 183 7.387 2.702 -5.802 1.00 0.00 C ATOM 165 O ASP A 183 6.246 2.422 -6.117 1.00 0.00 O ATOM 166 CB ASP A 183 8.974 3.588 -7.535 1.00 0.00 C ATOM 167 CG ASP A 183 9.389 4.865 -8.276 1.00 0.00 C ATOM 168 OD1 ASP A 183 8.529 5.686 -8.544 1.00 0.00 O ATOM 169 OD2 ASP A 183 10.559 4.997 -8.568 1.00 0.00 O ATOM 0 H ASP A 183 9.875 4.680 -5.488 1.00 0.00 H new ATOM 0 HA ASP A 183 7.298 4.650 -6.693 1.00 0.00 H new ATOM 0 HB2 ASP A 183 9.857 3.058 -7.179 1.00 0.00 H new ATOM 0 HB3 ASP A 183 8.450 2.915 -8.213 1.00 0.00 H new ATOM 174 N ALA A 184 8.062 1.937 -4.992 1.00 0.00 N ATOM 175 CA ALA A 184 7.419 0.711 -4.458 1.00 0.00 C ATOM 176 C ALA A 184 6.358 1.087 -3.422 1.00 0.00 C ATOM 177 O ALA A 184 5.284 0.523 -3.403 1.00 0.00 O ATOM 178 CB ALA A 184 8.477 -0.186 -3.816 1.00 0.00 C ATOM 0 H ALA A 184 9.019 2.106 -4.681 1.00 0.00 H new ATOM 0 HA ALA A 184 6.940 0.173 -5.276 1.00 0.00 H new ATOM 0 HB1 ALA A 184 8.002 -1.086 -3.425 1.00 0.00 H new ATOM 0 HB2 ALA A 184 9.221 -0.464 -4.563 1.00 0.00 H new ATOM 0 HB3 ALA A 184 8.964 0.351 -3.002 1.00 0.00 H new ATOM 184 N TRP A 185 6.634 2.027 -2.561 1.00 0.00 N ATOM 185 CA TRP A 185 5.619 2.403 -1.553 1.00 0.00 C ATOM 186 C TRP A 185 4.359 2.896 -2.274 1.00 0.00 C ATOM 187 O TRP A 185 3.259 2.510 -1.958 1.00 0.00 O ATOM 188 CB TRP A 185 6.182 3.511 -0.654 1.00 0.00 C ATOM 189 CG TRP A 185 5.186 3.825 0.411 1.00 0.00 C ATOM 190 CD1 TRP A 185 4.549 5.013 0.560 1.00 0.00 C ATOM 191 CD2 TRP A 185 4.697 2.960 1.481 1.00 0.00 C ATOM 192 NE1 TRP A 185 3.694 4.922 1.651 1.00 0.00 N ATOM 193 CE2 TRP A 185 3.750 3.676 2.247 1.00 0.00 C ATOM 194 CE3 TRP A 185 4.977 1.632 1.854 1.00 0.00 C ATOM 195 CZ2 TRP A 185 3.107 3.094 3.339 1.00 0.00 C ATOM 196 CZ3 TRP A 185 4.334 1.044 2.952 1.00 0.00 C ATOM 197 CH2 TRP A 185 3.400 1.774 3.692 1.00 0.00 C ATOM 0 H TRP A 185 7.512 2.544 -2.516 1.00 0.00 H new ATOM 0 HA TRP A 185 5.366 1.541 -0.936 1.00 0.00 H new ATOM 0 HB2 TRP A 185 7.123 3.191 -0.207 1.00 0.00 H new ATOM 0 HB3 TRP A 185 6.396 4.402 -1.244 1.00 0.00 H new ATOM 0 HD1 TRP A 185 4.684 5.884 -0.065 1.00 0.00 H new ATOM 0 HE1 TRP A 185 3.097 5.683 1.974 1.00 0.00 H new ATOM 0 HE3 TRP A 185 5.696 1.059 1.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 2.386 3.661 3.909 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 4.561 0.024 3.227 1.00 0.00 H new ATOM 0 HH2 TRP A 185 2.905 1.318 4.537 1.00 0.00 H new ATOM 208 N GLN A 186 4.517 3.738 -3.247 1.00 0.00 N ATOM 209 CA GLN A 186 3.335 4.255 -3.983 1.00 0.00 C ATOM 210 C GLN A 186 2.584 3.094 -4.622 1.00 0.00 C ATOM 211 O GLN A 186 1.364 3.073 -4.668 1.00 0.00 O ATOM 212 CB GLN A 186 3.788 5.233 -5.065 1.00 0.00 C ATOM 213 CG GLN A 186 4.324 6.503 -4.408 1.00 0.00 C ATOM 214 CD GLN A 186 3.169 7.285 -3.769 1.00 0.00 C ATOM 215 OE1 GLN A 186 2.224 7.664 -4.428 1.00 0.00 O ATOM 216 NE2 GLN A 186 3.211 7.537 -2.493 1.00 0.00 N ATOM 0 H GLN A 186 5.417 4.094 -3.568 1.00 0.00 H new ATOM 0 HA GLN A 186 2.675 4.772 -3.287 1.00 0.00 H new ATOM 0 HB2 GLN A 186 4.561 4.776 -5.683 1.00 0.00 H new ATOM 0 HB3 GLN A 186 2.954 5.475 -5.724 1.00 0.00 H new ATOM 0 HG2 GLN A 186 5.065 6.247 -3.651 1.00 0.00 H new ATOM 0 HG3 GLN A 186 4.828 7.122 -5.150 1.00 0.00 H new ATOM 0 HE21 GLN A 186 4.005 7.219 -1.936 1.00 0.00 H new ATOM 0 HE22 GLN A 186 2.450 8.052 -2.050 1.00 0.00 H new ATOM 225 N PHE A 187 3.297 2.139 -5.132 1.00 0.00 N ATOM 226 CA PHE A 187 2.631 0.980 -5.782 1.00 0.00 C ATOM 227 C PHE A 187 1.739 0.288 -4.742 1.00 0.00 C ATOM 228 O PHE A 187 0.577 -0.025 -4.980 1.00 0.00 O ATOM 229 CB PHE A 187 3.718 0.003 -6.253 1.00 0.00 C ATOM 230 CG PHE A 187 3.145 -1.036 -7.206 1.00 0.00 C ATOM 231 CD1 PHE A 187 2.291 -2.043 -6.738 1.00 0.00 C ATOM 232 CD2 PHE A 187 3.477 -0.987 -8.562 1.00 0.00 C ATOM 233 CE1 PHE A 187 1.776 -2.993 -7.627 1.00 0.00 C ATOM 234 CE2 PHE A 187 2.957 -1.939 -9.454 1.00 0.00 C ATOM 235 CZ PHE A 187 2.108 -2.941 -8.985 1.00 0.00 C ATOM 0 H PHE A 187 4.317 2.108 -5.128 1.00 0.00 H new ATOM 0 HA PHE A 187 2.028 1.303 -6.630 1.00 0.00 H new ATOM 0 HB2 PHE A 187 4.517 0.554 -6.749 1.00 0.00 H new ATOM 0 HB3 PHE A 187 4.162 -0.495 -5.391 1.00 0.00 H new ATOM 0 HD1 PHE A 187 2.030 -2.086 -5.691 1.00 0.00 H new ATOM 0 HD2 PHE A 187 4.137 -0.213 -8.926 1.00 0.00 H new ATOM 0 HE1 PHE A 187 1.119 -3.770 -7.263 1.00 0.00 H new ATOM 0 HE2 PHE A 187 3.214 -1.895 -10.502 1.00 0.00 H new ATOM 0 HZ PHE A 187 1.708 -3.675 -9.669 1.00 0.00 H new ATOM 245 N LEU A 188 2.280 0.055 -3.577 1.00 0.00 N ATOM 246 CA LEU A 188 1.483 -0.617 -2.505 1.00 0.00 C ATOM 247 C LEU A 188 0.260 0.240 -2.192 1.00 0.00 C ATOM 248 O LEU A 188 -0.861 -0.242 -2.160 1.00 0.00 O ATOM 249 CB LEU A 188 2.360 -0.752 -1.250 1.00 0.00 C ATOM 250 CG LEU A 188 1.564 -1.323 -0.068 1.00 0.00 C ATOM 251 CD1 LEU A 188 1.013 -2.716 -0.405 1.00 0.00 C ATOM 252 CD2 LEU A 188 2.486 -1.429 1.158 1.00 0.00 C ATOM 0 H LEU A 188 3.236 0.299 -3.319 1.00 0.00 H new ATOM 0 HA LEU A 188 1.160 -1.605 -2.831 1.00 0.00 H new ATOM 0 HB2 LEU A 188 3.209 -1.401 -1.466 1.00 0.00 H new ATOM 0 HB3 LEU A 188 2.765 0.224 -0.981 1.00 0.00 H new ATOM 0 HG LEU A 188 0.727 -0.657 0.144 1.00 0.00 H new ATOM 0 HD11 LEU A 188 0.452 -3.101 0.447 1.00 0.00 H new ATOM 0 HD12 LEU A 188 0.355 -2.647 -1.271 1.00 0.00 H new ATOM 0 HD13 LEU A 188 1.840 -3.390 -0.630 1.00 0.00 H new ATOM 0 HD21 LEU A 188 1.926 -1.834 2.001 1.00 0.00 H new ATOM 0 HD22 LEU A 188 3.323 -2.089 0.928 1.00 0.00 H new ATOM 0 HD23 LEU A 188 2.864 -0.440 1.416 1.00 0.00 H new ATOM 264 N ILE A 189 0.467 1.509 -1.958 1.00 0.00 N ATOM 265 CA ILE A 189 -0.690 2.403 -1.641 1.00 0.00 C ATOM 266 C ILE A 189 -1.690 2.426 -2.810 1.00 0.00 C ATOM 267 O ILE A 189 -2.895 2.441 -2.616 1.00 0.00 O ATOM 268 CB ILE A 189 -0.185 3.832 -1.380 1.00 0.00 C ATOM 269 CG1 ILE A 189 0.791 3.856 -0.194 1.00 0.00 C ATOM 270 CG2 ILE A 189 -1.364 4.763 -1.070 1.00 0.00 C ATOM 271 CD1 ILE A 189 0.161 3.242 1.062 1.00 0.00 C ATOM 0 H ILE A 189 1.380 1.964 -1.972 1.00 0.00 H new ATOM 0 HA ILE A 189 -1.191 2.019 -0.752 1.00 0.00 H new ATOM 0 HB ILE A 189 0.330 4.174 -2.278 1.00 0.00 H new ATOM 0 HG12 ILE A 189 1.696 3.307 -0.454 1.00 0.00 H new ATOM 0 HG13 ILE A 189 1.090 4.884 0.012 1.00 0.00 H new ATOM 0 HG21 ILE A 189 -0.993 5.771 -0.887 1.00 0.00 H new ATOM 0 HG22 ILE A 189 -2.049 4.777 -1.917 1.00 0.00 H new ATOM 0 HG23 ILE A 189 -1.889 4.403 -0.185 1.00 0.00 H new ATOM 0 HD11 ILE A 189 0.878 3.275 1.882 1.00 0.00 H new ATOM 0 HD12 ILE A 189 -0.730 3.808 1.336 1.00 0.00 H new ATOM 0 HD13 ILE A 189 -0.114 2.206 0.862 1.00 0.00 H new ATOM 283 N ALA A 190 -1.221 2.449 -4.021 1.00 0.00 N ATOM 284 CA ALA A 190 -2.166 2.496 -5.167 1.00 0.00 C ATOM 285 C ALA A 190 -3.084 1.265 -5.160 1.00 0.00 C ATOM 286 O ALA A 190 -4.267 1.375 -5.396 1.00 0.00 O ATOM 287 CB ALA A 190 -1.357 2.526 -6.455 1.00 0.00 C ATOM 0 H ALA A 190 -0.231 2.437 -4.268 1.00 0.00 H new ATOM 0 HA ALA A 190 -2.790 3.386 -5.089 1.00 0.00 H new ATOM 0 HB1 ALA A 190 -2.034 2.561 -7.309 1.00 0.00 H new ATOM 0 HB2 ALA A 190 -0.718 3.409 -6.463 1.00 0.00 H new ATOM 0 HB3 ALA A 190 -0.739 1.630 -6.518 1.00 0.00 H new ATOM 293 N ASP A 191 -2.561 0.099 -4.885 1.00 0.00 N ATOM 294 CA ASP A 191 -3.429 -1.121 -4.866 1.00 0.00 C ATOM 295 C ASP A 191 -4.375 -1.071 -3.667 1.00 0.00 C ATOM 296 O ASP A 191 -5.532 -1.426 -3.766 1.00 0.00 O ATOM 297 CB ASP A 191 -2.542 -2.371 -4.769 1.00 0.00 C ATOM 298 CG ASP A 191 -3.391 -3.625 -4.958 1.00 0.00 C ATOM 299 OD1 ASP A 191 -4.477 -3.670 -4.402 1.00 0.00 O ATOM 300 OD2 ASP A 191 -2.937 -4.518 -5.654 1.00 0.00 O ATOM 0 H ASP A 191 -1.576 -0.064 -4.674 1.00 0.00 H new ATOM 0 HA ASP A 191 -4.019 -1.158 -5.782 1.00 0.00 H new ATOM 0 HB2 ASP A 191 -1.760 -2.333 -5.527 1.00 0.00 H new ATOM 0 HB3 ASP A 191 -2.045 -2.401 -3.800 1.00 0.00 H new ATOM 305 N TYR A 192 -3.903 -0.636 -2.539 1.00 0.00 N ATOM 306 CA TYR A 192 -4.783 -0.571 -1.337 1.00 0.00 C ATOM 307 C TYR A 192 -5.983 0.350 -1.599 1.00 0.00 C ATOM 308 O TYR A 192 -7.071 0.093 -1.130 1.00 0.00 O ATOM 309 CB TYR A 192 -3.980 -0.037 -0.145 1.00 0.00 C ATOM 310 CG TYR A 192 -4.747 -0.290 1.126 1.00 0.00 C ATOM 311 CD1 TYR A 192 -5.684 0.640 1.584 1.00 0.00 C ATOM 312 CD2 TYR A 192 -4.521 -1.467 1.839 1.00 0.00 C ATOM 313 CE1 TYR A 192 -6.397 0.391 2.759 1.00 0.00 C ATOM 314 CE2 TYR A 192 -5.231 -1.719 3.014 1.00 0.00 C ATOM 315 CZ TYR A 192 -6.170 -0.790 3.472 1.00 0.00 C ATOM 316 OH TYR A 192 -6.859 -1.032 4.638 1.00 0.00 O ATOM 0 H TYR A 192 -2.944 -0.321 -2.392 1.00 0.00 H new ATOM 0 HA TYR A 192 -5.151 -1.573 -1.116 1.00 0.00 H new ATOM 0 HB2 TYR A 192 -3.007 -0.526 -0.099 1.00 0.00 H new ATOM 0 HB3 TYR A 192 -3.795 1.030 -0.265 1.00 0.00 H new ATOM 0 HD1 TYR A 192 -5.857 1.551 1.030 1.00 0.00 H new ATOM 0 HD2 TYR A 192 -3.796 -2.184 1.482 1.00 0.00 H new ATOM 0 HE1 TYR A 192 -7.121 1.108 3.116 1.00 0.00 H new ATOM 0 HE2 TYR A 192 -5.055 -2.629 3.568 1.00 0.00 H new ATOM 0 HH TYR A 192 -7.680 -0.497 4.650 1.00 0.00 H new ATOM 326 N LEU A 193 -5.795 1.428 -2.323 1.00 0.00 N ATOM 327 CA LEU A 193 -6.936 2.378 -2.574 1.00 0.00 C ATOM 328 C LEU A 193 -7.840 1.864 -3.701 1.00 0.00 C ATOM 329 O LEU A 193 -8.860 2.458 -4.013 1.00 0.00 O ATOM 330 CB LEU A 193 -6.387 3.753 -2.963 1.00 0.00 C ATOM 331 CG LEU A 193 -5.558 4.349 -1.813 1.00 0.00 C ATOM 332 CD1 LEU A 193 -4.818 5.590 -2.320 1.00 0.00 C ATOM 333 CD2 LEU A 193 -6.481 4.747 -0.638 1.00 0.00 C ATOM 0 H LEU A 193 -4.908 1.694 -2.750 1.00 0.00 H new ATOM 0 HA LEU A 193 -7.523 2.454 -1.658 1.00 0.00 H new ATOM 0 HB2 LEU A 193 -5.769 3.664 -3.856 1.00 0.00 H new ATOM 0 HB3 LEU A 193 -7.211 4.423 -3.210 1.00 0.00 H new ATOM 0 HG LEU A 193 -4.843 3.604 -1.464 1.00 0.00 H new ATOM 0 HD11 LEU A 193 -4.228 6.018 -1.510 1.00 0.00 H new ATOM 0 HD12 LEU A 193 -4.158 5.310 -3.141 1.00 0.00 H new ATOM 0 HD13 LEU A 193 -5.541 6.327 -2.671 1.00 0.00 H new ATOM 0 HD21 LEU A 193 -5.881 5.167 0.169 1.00 0.00 H new ATOM 0 HD22 LEU A 193 -7.203 5.489 -0.978 1.00 0.00 H new ATOM 0 HD23 LEU A 193 -7.010 3.865 -0.276 1.00 0.00 H new ATOM 345 N ARG A 194 -7.490 0.770 -4.316 1.00 0.00 N ATOM 346 CA ARG A 194 -8.355 0.251 -5.409 1.00 0.00 C ATOM 347 C ARG A 194 -9.626 -0.358 -4.792 1.00 0.00 C ATOM 348 O ARG A 194 -9.543 -1.159 -3.888 1.00 0.00 O ATOM 349 CB ARG A 194 -7.594 -0.819 -6.205 1.00 0.00 C ATOM 350 CG ARG A 194 -6.556 -0.160 -7.140 1.00 0.00 C ATOM 351 CD ARG A 194 -7.225 0.351 -8.431 1.00 0.00 C ATOM 352 NE ARG A 194 -8.113 -0.709 -9.029 1.00 0.00 N ATOM 353 CZ ARG A 194 -7.679 -1.920 -9.276 1.00 0.00 C ATOM 354 NH1 ARG A 194 -6.405 -2.188 -9.236 1.00 0.00 N ATOM 355 NH2 ARG A 194 -8.523 -2.846 -9.637 1.00 0.00 N ATOM 0 H ARG A 194 -6.655 0.220 -4.113 1.00 0.00 H new ATOM 0 HA ARG A 194 -8.629 1.063 -6.083 1.00 0.00 H new ATOM 0 HB2 ARG A 194 -7.093 -1.503 -5.520 1.00 0.00 H new ATOM 0 HB3 ARG A 194 -8.296 -1.412 -6.791 1.00 0.00 H new ATOM 0 HG2 ARG A 194 -6.071 0.669 -6.625 1.00 0.00 H new ATOM 0 HG3 ARG A 194 -5.777 -0.880 -7.390 1.00 0.00 H new ATOM 0 HD2 ARG A 194 -7.812 1.243 -8.213 1.00 0.00 H new ATOM 0 HD3 ARG A 194 -6.461 0.641 -9.152 1.00 0.00 H new ATOM 0 HE ARG A 194 -9.082 -0.477 -9.248 1.00 0.00 H new ATOM 0 HH11 ARG A 194 -5.736 -1.452 -9.011 1.00 0.00 H new ATOM 0 HH12 ARG A 194 -6.077 -3.134 -9.430 1.00 0.00 H new ATOM 0 HH21 ARG A 194 -9.515 -2.625 -9.726 1.00 0.00 H new ATOM 0 HH22 ARG A 194 -8.191 -3.791 -9.831 1.00 0.00 H new ATOM 369 N PRO A 195 -10.809 0.004 -5.259 1.00 0.00 N ATOM 370 CA PRO A 195 -12.077 -0.556 -4.700 1.00 0.00 C ATOM 371 C PRO A 195 -11.976 -2.070 -4.428 1.00 0.00 C ATOM 372 O PRO A 195 -12.712 -2.621 -3.634 1.00 0.00 O ATOM 373 CB PRO A 195 -13.107 -0.262 -5.790 1.00 0.00 C ATOM 374 CG PRO A 195 -12.615 0.991 -6.463 1.00 0.00 C ATOM 375 CD PRO A 195 -11.085 0.978 -6.343 1.00 0.00 C ATOM 0 HA PRO A 195 -12.331 -0.116 -3.735 1.00 0.00 H new ATOM 0 HB2 PRO A 195 -13.179 -1.088 -6.498 1.00 0.00 H new ATOM 0 HB3 PRO A 195 -14.101 -0.118 -5.366 1.00 0.00 H new ATOM 0 HG2 PRO A 195 -12.922 1.016 -7.509 1.00 0.00 H new ATOM 0 HG3 PRO A 195 -13.034 1.877 -5.987 1.00 0.00 H new ATOM 0 HD2 PRO A 195 -10.615 0.675 -7.279 1.00 0.00 H new ATOM 0 HD3 PRO A 195 -10.697 1.967 -6.097 1.00 0.00 H new ATOM 383 N GLU A 196 -11.054 -2.737 -5.068 1.00 0.00 N ATOM 384 CA GLU A 196 -10.890 -4.205 -4.845 1.00 0.00 C ATOM 385 C GLU A 196 -10.517 -4.457 -3.381 1.00 0.00 C ATOM 386 O GLU A 196 -10.998 -5.384 -2.767 1.00 0.00 O ATOM 387 CB GLU A 196 -9.786 -4.722 -5.763 1.00 0.00 C ATOM 388 CG GLU A 196 -10.270 -4.696 -7.208 1.00 0.00 C ATOM 389 CD GLU A 196 -11.300 -5.799 -7.404 1.00 0.00 C ATOM 390 OE1 GLU A 196 -11.006 -6.923 -7.021 1.00 0.00 O ATOM 391 OE2 GLU A 196 -12.364 -5.505 -7.922 1.00 0.00 O ATOM 0 H GLU A 196 -10.404 -2.328 -5.739 1.00 0.00 H new ATOM 0 HA GLU A 196 -11.821 -4.726 -5.068 1.00 0.00 H new ATOM 0 HB2 GLU A 196 -8.893 -4.107 -5.657 1.00 0.00 H new ATOM 0 HB3 GLU A 196 -9.509 -5.737 -5.480 1.00 0.00 H new ATOM 0 HG2 GLU A 196 -10.708 -3.726 -7.441 1.00 0.00 H new ATOM 0 HG3 GLU A 196 -9.431 -4.839 -7.889 1.00 0.00 H new ATOM 398 N LYS A 197 -9.675 -3.629 -2.815 1.00 0.00 N ATOM 399 CA LYS A 197 -9.284 -3.808 -1.384 1.00 0.00 C ATOM 400 C LYS A 197 -8.989 -5.286 -1.109 1.00 0.00 C ATOM 401 O LYS A 197 -9.597 -5.898 -0.259 1.00 0.00 O ATOM 402 CB LYS A 197 -10.441 -3.315 -0.504 1.00 0.00 C ATOM 403 CG LYS A 197 -9.936 -2.831 0.861 1.00 0.00 C ATOM 404 CD LYS A 197 -9.480 -4.023 1.697 1.00 0.00 C ATOM 405 CE LYS A 197 -9.223 -3.566 3.127 1.00 0.00 C ATOM 406 NZ LYS A 197 -8.430 -2.312 3.097 1.00 0.00 N ATOM 0 H LYS A 197 -9.240 -2.834 -3.284 1.00 0.00 H new ATOM 0 HA LYS A 197 -8.384 -3.235 -1.160 1.00 0.00 H new ATOM 0 HB2 LYS A 197 -10.965 -2.503 -1.009 1.00 0.00 H new ATOM 0 HB3 LYS A 197 -11.162 -4.120 -0.363 1.00 0.00 H new ATOM 0 HG2 LYS A 197 -9.110 -2.133 0.726 1.00 0.00 H new ATOM 0 HG3 LYS A 197 -10.728 -2.292 1.381 1.00 0.00 H new ATOM 0 HD2 LYS A 197 -10.241 -4.803 1.684 1.00 0.00 H new ATOM 0 HD3 LYS A 197 -8.573 -4.454 1.272 1.00 0.00 H new ATOM 0 HE2 LYS A 197 -10.168 -3.402 3.646 1.00 0.00 H new ATOM 0 HE3 LYS A 197 -8.686 -4.338 3.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 197 -7.873 -2.233 3.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 197 -7.789 -2.326 2.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 197 -9.072 -1.497 3.020 1.00 0.00 H new ATOM 420 N PRO A 198 -8.063 -5.856 -1.826 1.00 0.00 N ATOM 421 CA PRO A 198 -7.689 -7.297 -1.647 1.00 0.00 C ATOM 422 C PRO A 198 -7.015 -7.545 -0.282 1.00 0.00 C ATOM 423 O PRO A 198 -6.800 -6.635 0.497 1.00 0.00 O ATOM 424 CB PRO A 198 -6.720 -7.575 -2.813 1.00 0.00 C ATOM 425 CG PRO A 198 -6.166 -6.229 -3.181 1.00 0.00 C ATOM 426 CD PRO A 198 -7.267 -5.204 -2.886 1.00 0.00 C ATOM 0 HA PRO A 198 -8.557 -7.956 -1.657 1.00 0.00 H new ATOM 0 HB2 PRO A 198 -5.927 -8.261 -2.514 1.00 0.00 H new ATOM 0 HB3 PRO A 198 -7.237 -8.034 -3.656 1.00 0.00 H new ATOM 0 HG2 PRO A 198 -5.268 -6.009 -2.604 1.00 0.00 H new ATOM 0 HG3 PRO A 198 -5.883 -6.201 -4.233 1.00 0.00 H new ATOM 0 HD2 PRO A 198 -6.852 -4.253 -2.550 1.00 0.00 H new ATOM 0 HD3 PRO A 198 -7.869 -4.995 -3.770 1.00 0.00 H new ATOM 434 N ALA A 199 -6.704 -8.775 0.027 1.00 0.00 N ATOM 435 CA ALA A 199 -6.063 -9.078 1.343 1.00 0.00 C ATOM 436 C ALA A 199 -4.664 -8.433 1.412 1.00 0.00 C ATOM 437 O ALA A 199 -3.936 -8.419 0.447 1.00 0.00 O ATOM 438 CB ALA A 199 -5.955 -10.601 1.508 1.00 0.00 C ATOM 0 H ALA A 199 -6.865 -9.584 -0.573 1.00 0.00 H new ATOM 0 HA ALA A 199 -6.671 -8.667 2.149 1.00 0.00 H new ATOM 0 HB1 ALA A 199 -5.488 -10.831 2.466 1.00 0.00 H new ATOM 0 HB2 ALA A 199 -6.951 -11.042 1.475 1.00 0.00 H new ATOM 0 HB3 ALA A 199 -5.349 -11.012 0.701 1.00 0.00 H new ATOM 444 N PHE A 200 -4.291 -7.880 2.542 1.00 0.00 N ATOM 445 CA PHE A 200 -2.949 -7.236 2.646 1.00 0.00 C ATOM 446 C PHE A 200 -1.855 -8.265 2.385 1.00 0.00 C ATOM 447 O PHE A 200 -0.938 -8.028 1.631 1.00 0.00 O ATOM 448 CB PHE A 200 -2.771 -6.661 4.055 1.00 0.00 C ATOM 449 CG PHE A 200 -1.414 -6.001 4.144 1.00 0.00 C ATOM 450 CD1 PHE A 200 -1.141 -4.878 3.359 1.00 0.00 C ATOM 451 CD2 PHE A 200 -0.429 -6.515 4.997 1.00 0.00 C ATOM 452 CE1 PHE A 200 0.114 -4.263 3.431 1.00 0.00 C ATOM 453 CE2 PHE A 200 0.830 -5.897 5.067 1.00 0.00 C ATOM 454 CZ PHE A 200 1.099 -4.774 4.288 1.00 0.00 C ATOM 0 H PHE A 200 -4.856 -7.848 3.390 1.00 0.00 H new ATOM 0 HA PHE A 200 -2.878 -6.439 1.906 1.00 0.00 H new ATOM 0 HB2 PHE A 200 -3.557 -5.937 4.269 1.00 0.00 H new ATOM 0 HB3 PHE A 200 -2.855 -7.453 4.799 1.00 0.00 H new ATOM 0 HD1 PHE A 200 -1.898 -4.485 2.697 1.00 0.00 H new ATOM 0 HD2 PHE A 200 -0.638 -7.386 5.600 1.00 0.00 H new ATOM 0 HE1 PHE A 200 0.324 -3.394 2.826 1.00 0.00 H new ATOM 0 HE2 PHE A 200 1.590 -6.292 5.725 1.00 0.00 H new ATOM 0 HZ PHE A 200 2.066 -4.297 4.344 1.00 0.00 H new ATOM 464 N ARG A 201 -1.935 -9.401 3.005 1.00 0.00 N ATOM 465 CA ARG A 201 -0.881 -10.430 2.789 1.00 0.00 C ATOM 466 C ARG A 201 -0.837 -10.845 1.319 1.00 0.00 C ATOM 467 O ARG A 201 0.217 -11.081 0.773 1.00 0.00 O ATOM 468 CB ARG A 201 -1.151 -11.644 3.685 1.00 0.00 C ATOM 469 CG ARG A 201 -2.396 -12.399 3.216 1.00 0.00 C ATOM 470 CD ARG A 201 -2.649 -13.573 4.158 1.00 0.00 C ATOM 471 NE ARG A 201 -3.574 -14.549 3.492 1.00 0.00 N ATOM 472 CZ ARG A 201 -4.740 -14.173 3.051 1.00 0.00 C ATOM 473 NH1 ARG A 201 -5.211 -13.005 3.375 1.00 0.00 N ATOM 474 NH2 ARG A 201 -5.458 -14.988 2.326 1.00 0.00 N ATOM 0 H ARG A 201 -2.679 -9.665 3.650 1.00 0.00 H new ATOM 0 HA ARG A 201 0.089 -10.008 3.052 1.00 0.00 H new ATOM 0 HB2 ARG A 201 -0.289 -12.311 3.671 1.00 0.00 H new ATOM 0 HB3 ARG A 201 -1.285 -11.318 4.716 1.00 0.00 H new ATOM 0 HG2 ARG A 201 -3.259 -11.733 3.205 1.00 0.00 H new ATOM 0 HG3 ARG A 201 -2.257 -12.758 2.196 1.00 0.00 H new ATOM 0 HD2 ARG A 201 -1.708 -14.061 4.412 1.00 0.00 H new ATOM 0 HD3 ARG A 201 -3.086 -13.218 5.091 1.00 0.00 H new ATOM 0 HE ARG A 201 -3.285 -15.521 3.383 1.00 0.00 H new ATOM 0 HH11 ARG A 201 -4.667 -12.384 3.974 1.00 0.00 H new ATOM 0 HH12 ARG A 201 -6.124 -12.710 3.030 1.00 0.00 H new ATOM 0 HH21 ARG A 201 -5.105 -15.919 2.105 1.00 0.00 H new ATOM 0 HH22 ARG A 201 -6.371 -14.693 1.981 1.00 0.00 H new ATOM 488 N LYS A 202 -1.976 -10.952 0.686 1.00 0.00 N ATOM 489 CA LYS A 202 -2.016 -11.371 -0.748 1.00 0.00 C ATOM 490 C LYS A 202 -1.456 -10.262 -1.645 1.00 0.00 C ATOM 491 O LYS A 202 -0.757 -10.517 -2.610 1.00 0.00 O ATOM 492 CB LYS A 202 -3.473 -11.645 -1.152 1.00 0.00 C ATOM 493 CG LYS A 202 -3.539 -12.126 -2.605 1.00 0.00 C ATOM 494 CD LYS A 202 -4.991 -12.398 -3.005 1.00 0.00 C ATOM 495 CE LYS A 202 -5.030 -12.888 -4.462 1.00 0.00 C ATOM 496 NZ LYS A 202 -6.425 -12.798 -4.972 1.00 0.00 N ATOM 0 H LYS A 202 -2.888 -10.766 1.104 1.00 0.00 H new ATOM 0 HA LYS A 202 -1.411 -12.270 -0.869 1.00 0.00 H new ATOM 0 HB2 LYS A 202 -3.905 -12.397 -0.492 1.00 0.00 H new ATOM 0 HB3 LYS A 202 -4.067 -10.739 -1.034 1.00 0.00 H new ATOM 0 HG2 LYS A 202 -3.107 -11.374 -3.265 1.00 0.00 H new ATOM 0 HG3 LYS A 202 -2.945 -13.033 -2.723 1.00 0.00 H new ATOM 0 HD2 LYS A 202 -5.429 -13.147 -2.345 1.00 0.00 H new ATOM 0 HD3 LYS A 202 -5.586 -11.491 -2.897 1.00 0.00 H new ATOM 0 HE2 LYS A 202 -4.365 -12.284 -5.079 1.00 0.00 H new ATOM 0 HE3 LYS A 202 -4.674 -13.916 -4.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 202 -6.456 -13.129 -5.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 202 -7.047 -13.392 -4.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 202 -6.748 -11.810 -4.928 1.00 0.00 H new ATOM 510 N CYS A 203 -1.773 -9.033 -1.350 1.00 0.00 N ATOM 511 CA CYS A 203 -1.274 -7.908 -2.196 1.00 0.00 C ATOM 512 C CYS A 203 0.234 -7.726 -1.981 1.00 0.00 C ATOM 513 O CYS A 203 0.976 -7.455 -2.900 1.00 0.00 O ATOM 514 CB CYS A 203 -2.010 -6.619 -1.805 1.00 0.00 C ATOM 515 SG CYS A 203 -1.496 -5.261 -2.894 1.00 0.00 S ATOM 0 H CYS A 203 -2.356 -8.756 -0.560 1.00 0.00 H new ATOM 0 HA CYS A 203 -1.459 -8.132 -3.247 1.00 0.00 H new ATOM 0 HB2 CYS A 203 -3.087 -6.768 -1.879 1.00 0.00 H new ATOM 0 HB3 CYS A 203 -1.793 -6.367 -0.767 1.00 0.00 H new ATOM 0 HG CYS A 203 -2.125 -4.174 -2.558 1.00 0.00 H new ATOM 521 N TYR A 204 0.680 -7.844 -0.767 1.00 0.00 N ATOM 522 CA TYR A 204 2.132 -7.650 -0.476 1.00 0.00 C ATOM 523 C TYR A 204 2.979 -8.667 -1.241 1.00 0.00 C ATOM 524 O TYR A 204 4.044 -8.350 -1.731 1.00 0.00 O ATOM 525 CB TYR A 204 2.379 -7.794 1.026 1.00 0.00 C ATOM 526 CG TYR A 204 3.720 -7.194 1.376 1.00 0.00 C ATOM 527 CD1 TYR A 204 4.889 -7.957 1.246 1.00 0.00 C ATOM 528 CD2 TYR A 204 3.791 -5.862 1.830 1.00 0.00 C ATOM 529 CE1 TYR A 204 6.123 -7.392 1.568 1.00 0.00 C ATOM 530 CE2 TYR A 204 5.035 -5.301 2.150 1.00 0.00 C ATOM 531 CZ TYR A 204 6.201 -6.070 2.018 1.00 0.00 C ATOM 532 OH TYR A 204 7.434 -5.528 2.325 1.00 0.00 O ATOM 0 H TYR A 204 0.103 -8.067 0.044 1.00 0.00 H new ATOM 0 HA TYR A 204 2.421 -6.650 -0.799 1.00 0.00 H new ATOM 0 HB2 TYR A 204 1.588 -7.294 1.585 1.00 0.00 H new ATOM 0 HB3 TYR A 204 2.354 -8.846 1.310 1.00 0.00 H new ATOM 0 HD1 TYR A 204 4.834 -8.978 0.898 1.00 0.00 H new ATOM 0 HD2 TYR A 204 2.890 -5.275 1.931 1.00 0.00 H new ATOM 0 HE1 TYR A 204 7.024 -7.979 1.469 1.00 0.00 H new ATOM 0 HE2 TYR A 204 5.096 -4.280 2.497 1.00 0.00 H new ATOM 0 HH TYR A 204 7.470 -5.317 3.281 1.00 0.00 H new ATOM 542 N GLU A 205 2.540 -9.893 -1.331 1.00 0.00 N ATOM 543 CA GLU A 205 3.370 -10.903 -2.056 1.00 0.00 C ATOM 544 C GLU A 205 3.572 -10.455 -3.512 1.00 0.00 C ATOM 545 O GLU A 205 4.660 -10.553 -4.056 1.00 0.00 O ATOM 546 CB GLU A 205 2.671 -12.264 -2.037 1.00 0.00 C ATOM 547 CG GLU A 205 2.655 -12.815 -0.603 1.00 0.00 C ATOM 548 CD GLU A 205 1.846 -14.114 -0.557 1.00 0.00 C ATOM 549 OE1 GLU A 205 0.652 -14.051 -0.814 1.00 0.00 O ATOM 550 OE2 GLU A 205 2.428 -15.146 -0.267 1.00 0.00 O ATOM 0 H GLU A 205 1.661 -10.237 -0.943 1.00 0.00 H new ATOM 0 HA GLU A 205 4.338 -10.988 -1.561 1.00 0.00 H new ATOM 0 HB2 GLU A 205 1.652 -12.166 -2.411 1.00 0.00 H new ATOM 0 HB3 GLU A 205 3.188 -12.959 -2.699 1.00 0.00 H new ATOM 0 HG2 GLU A 205 3.674 -12.998 -0.262 1.00 0.00 H new ATOM 0 HG3 GLU A 205 2.220 -12.080 0.074 1.00 0.00 H new ATOM 557 N ARG A 206 2.541 -9.940 -4.139 1.00 0.00 N ATOM 558 CA ARG A 206 2.687 -9.467 -5.548 1.00 0.00 C ATOM 559 C ARG A 206 3.726 -8.340 -5.593 1.00 0.00 C ATOM 560 O ARG A 206 4.541 -8.262 -6.498 1.00 0.00 O ATOM 561 CB ARG A 206 1.347 -8.953 -6.069 1.00 0.00 C ATOM 562 CG ARG A 206 0.400 -10.131 -6.253 1.00 0.00 C ATOM 563 CD ARG A 206 -0.947 -9.622 -6.776 1.00 0.00 C ATOM 564 NE ARG A 206 -1.918 -10.762 -6.878 1.00 0.00 N ATOM 565 CZ ARG A 206 -1.661 -11.818 -7.607 1.00 0.00 C ATOM 566 NH1 ARG A 206 -0.642 -11.820 -8.429 1.00 0.00 N ATOM 567 NH2 ARG A 206 -2.460 -12.853 -7.559 1.00 0.00 N ATOM 0 H ARG A 206 1.610 -9.828 -3.737 1.00 0.00 H new ATOM 0 HA ARG A 206 3.014 -10.295 -6.177 1.00 0.00 H new ATOM 0 HB2 ARG A 206 0.922 -8.234 -5.369 1.00 0.00 H new ATOM 0 HB3 ARG A 206 1.487 -8.431 -7.016 1.00 0.00 H new ATOM 0 HG2 ARG A 206 0.827 -10.849 -6.953 1.00 0.00 H new ATOM 0 HG3 ARG A 206 0.262 -10.652 -5.306 1.00 0.00 H new ATOM 0 HD2 ARG A 206 -1.341 -8.856 -6.108 1.00 0.00 H new ATOM 0 HD3 ARG A 206 -0.815 -9.156 -7.753 1.00 0.00 H new ATOM 0 HE ARG A 206 -2.799 -10.712 -6.367 1.00 0.00 H new ATOM 0 HH11 ARG A 206 -0.045 -10.996 -8.503 1.00 0.00 H new ATOM 0 HH12 ARG A 206 -0.445 -12.645 -8.995 1.00 0.00 H new ATOM 0 HH21 ARG A 206 -3.281 -12.836 -6.954 1.00 0.00 H new ATOM 0 HH22 ARG A 206 -2.262 -13.677 -8.126 1.00 0.00 H new ATOM 581 N LEU A 207 3.705 -7.468 -4.612 1.00 0.00 N ATOM 582 CA LEU A 207 4.695 -6.353 -4.577 1.00 0.00 C ATOM 583 C LEU A 207 6.103 -6.945 -4.520 1.00 0.00 C ATOM 584 O LEU A 207 7.020 -6.465 -5.150 1.00 0.00 O ATOM 585 CB LEU A 207 4.459 -5.469 -3.338 1.00 0.00 C ATOM 586 CG LEU A 207 5.458 -4.295 -3.320 1.00 0.00 C ATOM 587 CD1 LEU A 207 5.155 -3.311 -4.480 1.00 0.00 C ATOM 588 CD2 LEU A 207 5.362 -3.567 -1.974 1.00 0.00 C ATOM 0 H LEU A 207 3.043 -7.484 -3.836 1.00 0.00 H new ATOM 0 HA LEU A 207 4.581 -5.740 -5.471 1.00 0.00 H new ATOM 0 HB2 LEU A 207 3.438 -5.087 -3.345 1.00 0.00 H new ATOM 0 HB3 LEU A 207 4.570 -6.064 -2.432 1.00 0.00 H new ATOM 0 HG LEU A 207 6.468 -4.683 -3.452 1.00 0.00 H new ATOM 0 HD11 LEU A 207 5.869 -2.487 -4.454 1.00 0.00 H new ATOM 0 HD12 LEU A 207 5.239 -3.834 -5.432 1.00 0.00 H new ATOM 0 HD13 LEU A 207 4.144 -2.919 -4.370 1.00 0.00 H new ATOM 0 HD21 LEU A 207 6.067 -2.736 -1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 207 4.350 -3.186 -1.838 1.00 0.00 H new ATOM 0 HD23 LEU A 207 5.600 -4.260 -1.167 1.00 0.00 H new ATOM 600 N GLU A 208 6.285 -7.987 -3.768 1.00 0.00 N ATOM 601 CA GLU A 208 7.640 -8.584 -3.687 1.00 0.00 C ATOM 602 C GLU A 208 8.081 -8.993 -5.085 1.00 0.00 C ATOM 603 O GLU A 208 9.214 -8.783 -5.463 1.00 0.00 O ATOM 604 CB GLU A 208 7.599 -9.805 -2.772 1.00 0.00 C ATOM 605 CG GLU A 208 7.389 -9.355 -1.328 1.00 0.00 C ATOM 606 CD GLU A 208 7.293 -10.578 -0.419 1.00 0.00 C ATOM 607 OE1 GLU A 208 6.676 -11.548 -0.832 1.00 0.00 O ATOM 608 OE2 GLU A 208 7.857 -10.530 0.668 1.00 0.00 O ATOM 0 H GLU A 208 5.564 -8.447 -3.212 1.00 0.00 H new ATOM 0 HA GLU A 208 8.347 -7.860 -3.281 1.00 0.00 H new ATOM 0 HB2 GLU A 208 6.793 -10.473 -3.076 1.00 0.00 H new ATOM 0 HB3 GLU A 208 8.529 -10.367 -2.857 1.00 0.00 H new ATOM 0 HG2 GLU A 208 8.215 -8.718 -1.011 1.00 0.00 H new ATOM 0 HG3 GLU A 208 6.479 -8.760 -1.251 1.00 0.00 H new ATOM 615 N LEU A 209 7.197 -9.533 -5.879 1.00 0.00 N ATOM 616 CA LEU A 209 7.608 -9.889 -7.265 1.00 0.00 C ATOM 617 C LEU A 209 8.030 -8.593 -7.950 1.00 0.00 C ATOM 618 O LEU A 209 9.044 -8.529 -8.624 1.00 0.00 O ATOM 619 CB LEU A 209 6.436 -10.524 -8.025 1.00 0.00 C ATOM 620 CG LEU A 209 6.864 -10.891 -9.455 1.00 0.00 C ATOM 621 CD1 LEU A 209 7.990 -11.950 -9.427 1.00 0.00 C ATOM 622 CD2 LEU A 209 5.650 -11.444 -10.202 1.00 0.00 C ATOM 0 H LEU A 209 6.228 -9.739 -5.635 1.00 0.00 H new ATOM 0 HA LEU A 209 8.424 -10.611 -7.251 1.00 0.00 H new ATOM 0 HB2 LEU A 209 6.094 -11.416 -7.500 1.00 0.00 H new ATOM 0 HB3 LEU A 209 5.596 -9.831 -8.056 1.00 0.00 H new ATOM 0 HG LEU A 209 7.242 -10.003 -9.961 1.00 0.00 H new ATOM 0 HD11 LEU A 209 8.281 -12.199 -10.448 1.00 0.00 H new ATOM 0 HD12 LEU A 209 8.851 -11.551 -8.891 1.00 0.00 H new ATOM 0 HD13 LEU A 209 7.633 -12.848 -8.923 1.00 0.00 H new ATOM 0 HD21 LEU A 209 5.938 -11.709 -11.219 1.00 0.00 H new ATOM 0 HD22 LEU A 209 5.279 -12.330 -9.687 1.00 0.00 H new ATOM 0 HD23 LEU A 209 4.866 -10.687 -10.233 1.00 0.00 H new ATOM 634 N ALA A 210 7.249 -7.554 -7.778 1.00 0.00 N ATOM 635 CA ALA A 210 7.591 -6.245 -8.405 1.00 0.00 C ATOM 636 C ALA A 210 8.921 -5.722 -7.842 1.00 0.00 C ATOM 637 O ALA A 210 9.761 -5.221 -8.572 1.00 0.00 O ATOM 638 CB ALA A 210 6.476 -5.231 -8.106 1.00 0.00 C ATOM 0 H ALA A 210 6.389 -7.559 -7.229 1.00 0.00 H new ATOM 0 HA ALA A 210 7.689 -6.380 -9.482 1.00 0.00 H new ATOM 0 HB1 ALA A 210 6.723 -4.273 -8.563 1.00 0.00 H new ATOM 0 HB2 ALA A 210 5.534 -5.596 -8.515 1.00 0.00 H new ATOM 0 HB3 ALA A 210 6.379 -5.104 -7.028 1.00 0.00 H new ATOM 644 N ALA A 211 9.123 -5.832 -6.550 1.00 0.00 N ATOM 645 CA ALA A 211 10.389 -5.332 -5.942 1.00 0.00 C ATOM 646 C ALA A 211 11.581 -6.058 -6.559 1.00 0.00 C ATOM 647 O ALA A 211 12.597 -5.463 -6.830 1.00 0.00 O ATOM 648 CB ALA A 211 10.372 -5.602 -4.433 1.00 0.00 C ATOM 0 H ALA A 211 8.463 -6.248 -5.893 1.00 0.00 H new ATOM 0 HA ALA A 211 10.475 -4.262 -6.129 1.00 0.00 H new ATOM 0 HB1 ALA A 211 11.297 -5.237 -3.988 1.00 0.00 H new ATOM 0 HB2 ALA A 211 9.524 -5.088 -3.981 1.00 0.00 H new ATOM 0 HB3 ALA A 211 10.283 -6.674 -4.256 1.00 0.00 H new ATOM 654 N ARG A 212 11.482 -7.337 -6.791 1.00 0.00 N ATOM 655 CA ARG A 212 12.638 -8.043 -7.396 1.00 0.00 C ATOM 656 C ARG A 212 12.849 -7.531 -8.822 1.00 0.00 C ATOM 657 O ARG A 212 13.968 -7.330 -9.270 1.00 0.00 O ATOM 658 CB ARG A 212 12.368 -9.542 -7.418 1.00 0.00 C ATOM 659 CG ARG A 212 13.640 -10.267 -7.839 1.00 0.00 C ATOM 660 CD ARG A 212 13.398 -11.767 -7.854 1.00 0.00 C ATOM 661 NE ARG A 212 13.021 -12.251 -6.480 1.00 0.00 N ATOM 662 CZ ARG A 212 13.811 -12.099 -5.447 1.00 0.00 C ATOM 663 NH1 ARG A 212 15.019 -11.660 -5.599 1.00 0.00 N ATOM 664 NH2 ARG A 212 13.400 -12.442 -4.257 1.00 0.00 N ATOM 0 H ARG A 212 10.665 -7.913 -6.591 1.00 0.00 H new ATOM 0 HA ARG A 212 13.535 -7.853 -6.806 1.00 0.00 H new ATOM 0 HB2 ARG A 212 12.049 -9.882 -6.433 1.00 0.00 H new ATOM 0 HB3 ARG A 212 11.558 -9.769 -8.111 1.00 0.00 H new ATOM 0 HG2 ARG A 212 13.951 -9.930 -8.828 1.00 0.00 H new ATOM 0 HG3 ARG A 212 14.451 -10.027 -7.151 1.00 0.00 H new ATOM 0 HD2 ARG A 212 12.604 -12.007 -8.561 1.00 0.00 H new ATOM 0 HD3 ARG A 212 14.295 -12.283 -8.195 1.00 0.00 H new ATOM 0 HE ARG A 212 12.121 -12.712 -6.349 1.00 0.00 H new ATOM 0 HH11 ARG A 212 15.364 -11.429 -6.531 1.00 0.00 H new ATOM 0 HH12 ARG A 212 15.626 -11.545 -4.787 1.00 0.00 H new ATOM 0 HH21 ARG A 212 12.464 -12.828 -4.132 1.00 0.00 H new ATOM 0 HH22 ARG A 212 14.015 -12.324 -3.452 1.00 0.00 H new ATOM 678 N GLU A 213 11.784 -7.307 -9.544 1.00 0.00 N ATOM 679 CA GLU A 213 11.938 -6.803 -10.932 1.00 0.00 C ATOM 680 C GLU A 213 12.607 -5.413 -10.906 1.00 0.00 C ATOM 681 O GLU A 213 13.510 -5.136 -11.666 1.00 0.00 O ATOM 682 CB GLU A 213 10.560 -6.710 -11.585 1.00 0.00 C ATOM 683 CG GLU A 213 10.689 -6.265 -13.046 1.00 0.00 C ATOM 684 CD GLU A 213 11.457 -7.325 -13.835 1.00 0.00 C ATOM 685 OE1 GLU A 213 10.938 -8.414 -13.979 1.00 0.00 O ATOM 686 OE2 GLU A 213 12.554 -7.030 -14.272 1.00 0.00 O ATOM 0 H GLU A 213 10.823 -7.451 -9.233 1.00 0.00 H new ATOM 0 HA GLU A 213 12.565 -7.485 -11.507 1.00 0.00 H new ATOM 0 HB2 GLU A 213 10.061 -7.678 -11.536 1.00 0.00 H new ATOM 0 HB3 GLU A 213 9.938 -6.003 -11.037 1.00 0.00 H new ATOM 0 HG2 GLU A 213 9.701 -6.117 -13.481 1.00 0.00 H new ATOM 0 HG3 GLU A 213 11.208 -5.308 -13.101 1.00 0.00 H new ATOM 693 N HIS A 214 12.158 -4.536 -10.046 1.00 0.00 N ATOM 694 CA HIS A 214 12.755 -3.163 -9.986 1.00 0.00 C ATOM 695 C HIS A 214 13.886 -3.112 -8.954 1.00 0.00 C ATOM 696 O HIS A 214 14.613 -2.143 -8.881 1.00 0.00 O ATOM 697 CB HIS A 214 11.669 -2.165 -9.586 1.00 0.00 C ATOM 698 CG HIS A 214 10.650 -2.048 -10.684 1.00 0.00 C ATOM 699 ND1 HIS A 214 10.800 -1.190 -11.766 1.00 0.00 N ATOM 700 CD2 HIS A 214 9.444 -2.678 -10.875 1.00 0.00 C ATOM 701 CE1 HIS A 214 9.708 -1.329 -12.549 1.00 0.00 C ATOM 702 NE2 HIS A 214 8.853 -2.223 -12.052 1.00 0.00 N ATOM 0 H HIS A 214 11.404 -4.709 -9.381 1.00 0.00 H new ATOM 0 HA HIS A 214 13.161 -2.911 -10.966 1.00 0.00 H new ATOM 0 HB2 HIS A 214 11.187 -2.490 -8.664 1.00 0.00 H new ATOM 0 HB3 HIS A 214 12.115 -1.190 -9.387 1.00 0.00 H new ATOM 0 HD2 HIS A 214 9.018 -3.416 -10.212 1.00 0.00 H new ATOM 0 HE1 HIS A 214 9.547 -0.782 -13.466 1.00 0.00 H new ATOM 0 HE2 HIS A 214 7.959 -2.512 -12.448 1.00 0.00 H new ATOM 710 N GLY A 215 14.043 -4.136 -8.158 1.00 0.00 N ATOM 711 CA GLY A 215 15.122 -4.122 -7.137 1.00 0.00 C ATOM 712 C GLY A 215 14.749 -3.159 -6.018 1.00 0.00 C ATOM 713 O GLY A 215 15.606 -2.649 -5.325 1.00 0.00 O ATOM 0 H GLY A 215 13.469 -4.979 -8.173 1.00 0.00 H new ATOM 0 HA2 GLY A 215 15.270 -5.124 -6.735 1.00 0.00 H new ATOM 0 HA3 GLY A 215 16.065 -3.819 -7.593 1.00 0.00 H new ATOM 717 N TRP A 216 13.481 -2.893 -5.831 1.00 0.00 N ATOM 718 CA TRP A 216 13.090 -1.946 -4.749 1.00 0.00 C ATOM 719 C TRP A 216 13.310 -2.599 -3.393 1.00 0.00 C ATOM 720 O TRP A 216 13.004 -3.762 -3.195 1.00 0.00 O ATOM 721 CB TRP A 216 11.606 -1.592 -4.815 1.00 0.00 C ATOM 722 CG TRP A 216 11.248 -0.874 -6.079 1.00 0.00 C ATOM 723 CD1 TRP A 216 11.966 0.106 -6.675 1.00 0.00 C ATOM 724 CD2 TRP A 216 10.057 -1.045 -6.886 1.00 0.00 C ATOM 725 NE1 TRP A 216 11.286 0.541 -7.802 1.00 0.00 N ATOM 726 CE2 TRP A 216 10.108 -0.148 -7.976 1.00 0.00 C ATOM 727 CE3 TRP A 216 8.946 -1.895 -6.777 1.00 0.00 C ATOM 728 CZ2 TRP A 216 9.086 -0.094 -8.926 1.00 0.00 C ATOM 729 CZ3 TRP A 216 7.916 -1.846 -7.726 1.00 0.00 C ATOM 730 CH2 TRP A 216 7.985 -0.948 -8.800 1.00 0.00 C ATOM 0 H TRP A 216 12.711 -3.285 -6.373 1.00 0.00 H new ATOM 0 HA TRP A 216 13.697 -1.050 -4.880 1.00 0.00 H new ATOM 0 HB2 TRP A 216 11.014 -2.504 -4.738 1.00 0.00 H new ATOM 0 HB3 TRP A 216 11.345 -0.969 -3.960 1.00 0.00 H new ATOM 0 HD1 TRP A 216 12.915 0.488 -6.329 1.00 0.00 H new ATOM 0 HE1 TRP A 216 11.617 1.279 -8.424 1.00 0.00 H new ATOM 0 HE3 TRP A 216 8.884 -2.593 -5.955 1.00 0.00 H new ATOM 0 HZ2 TRP A 216 9.145 0.601 -9.751 1.00 0.00 H new ATOM 0 HZ3 TRP A 216 7.065 -2.504 -7.629 1.00 0.00 H new ATOM 0 HH2 TRP A 216 7.189 -0.915 -9.529 1.00 0.00 H new ATOM 741 N SER A 217 13.781 -1.845 -2.442 1.00 0.00 N ATOM 742 CA SER A 217 13.959 -2.398 -1.071 1.00 0.00 C ATOM 743 C SER A 217 12.663 -2.093 -0.301 1.00 0.00 C ATOM 744 O SER A 217 12.290 -0.949 -0.153 1.00 0.00 O ATOM 745 CB SER A 217 15.152 -1.710 -0.404 1.00 0.00 C ATOM 746 OG SER A 217 16.331 -1.999 -1.141 1.00 0.00 O ATOM 0 H SER A 217 14.051 -0.868 -2.554 1.00 0.00 H new ATOM 0 HA SER A 217 14.151 -3.471 -1.088 1.00 0.00 H new ATOM 0 HB2 SER A 217 14.989 -0.633 -0.363 1.00 0.00 H new ATOM 0 HB3 SER A 217 15.258 -2.056 0.624 1.00 0.00 H new ATOM 0 HG SER A 217 17.097 -1.559 -0.718 1.00 0.00 H new ATOM 752 N ILE A 218 11.957 -3.096 0.165 1.00 0.00 N ATOM 753 CA ILE A 218 10.665 -2.850 0.889 1.00 0.00 C ATOM 754 C ILE A 218 10.854 -3.103 2.392 1.00 0.00 C ATOM 755 O ILE A 218 11.648 -3.942 2.785 1.00 0.00 O ATOM 756 CB ILE A 218 9.600 -3.809 0.339 1.00 0.00 C ATOM 757 CG1 ILE A 218 9.913 -5.254 0.776 1.00 0.00 C ATOM 758 CG2 ILE A 218 9.586 -3.722 -1.199 1.00 0.00 C ATOM 759 CD1 ILE A 218 8.994 -6.240 0.032 1.00 0.00 C ATOM 0 H ILE A 218 12.219 -4.078 0.076 1.00 0.00 H new ATOM 0 HA ILE A 218 10.351 -1.817 0.739 1.00 0.00 H new ATOM 0 HB ILE A 218 8.623 -3.527 0.732 1.00 0.00 H new ATOM 0 HG12 ILE A 218 10.957 -5.488 0.566 1.00 0.00 H new ATOM 0 HG13 ILE A 218 9.774 -5.355 1.852 1.00 0.00 H new ATOM 0 HG21 ILE A 218 8.831 -4.401 -1.595 1.00 0.00 H new ATOM 0 HG22 ILE A 218 9.352 -2.702 -1.504 1.00 0.00 H new ATOM 0 HG23 ILE A 218 10.565 -4.001 -1.588 1.00 0.00 H new ATOM 0 HD11 ILE A 218 9.222 -7.258 0.347 1.00 0.00 H new ATOM 0 HD12 ILE A 218 7.953 -6.013 0.264 1.00 0.00 H new ATOM 0 HD13 ILE A 218 9.155 -6.148 -1.042 1.00 0.00 H new ATOM 771 N PRO A 219 10.120 -2.411 3.237 1.00 0.00 N ATOM 772 CA PRO A 219 10.227 -2.599 4.704 1.00 0.00 C ATOM 773 C PRO A 219 9.513 -3.874 5.149 1.00 0.00 C ATOM 774 O PRO A 219 8.819 -4.505 4.376 1.00 0.00 O ATOM 775 CB PRO A 219 9.536 -1.356 5.271 1.00 0.00 C ATOM 776 CG PRO A 219 8.482 -1.041 4.268 1.00 0.00 C ATOM 777 CD PRO A 219 9.106 -1.380 2.907 1.00 0.00 C ATOM 0 HA PRO A 219 11.257 -2.707 5.045 1.00 0.00 H new ATOM 0 HB2 PRO A 219 9.106 -1.551 6.254 1.00 0.00 H new ATOM 0 HB3 PRO A 219 10.236 -0.529 5.388 1.00 0.00 H new ATOM 0 HG2 PRO A 219 7.581 -1.629 4.446 1.00 0.00 H new ATOM 0 HG3 PRO A 219 8.192 0.009 4.318 1.00 0.00 H new ATOM 0 HD2 PRO A 219 8.361 -1.759 2.207 1.00 0.00 H new ATOM 0 HD3 PRO A 219 9.560 -0.504 2.445 1.00 0.00 H new ATOM 785 N SER A 220 9.674 -4.259 6.384 1.00 0.00 N ATOM 786 CA SER A 220 8.999 -5.489 6.861 1.00 0.00 C ATOM 787 C SER A 220 7.490 -5.329 6.715 1.00 0.00 C ATOM 788 O SER A 220 6.943 -4.273 6.937 1.00 0.00 O ATOM 789 CB SER A 220 9.347 -5.724 8.323 1.00 0.00 C ATOM 790 OG SER A 220 8.695 -6.903 8.780 1.00 0.00 O ATOM 0 H SER A 220 10.242 -3.775 7.079 1.00 0.00 H new ATOM 0 HA SER A 220 9.332 -6.341 6.268 1.00 0.00 H new ATOM 0 HB2 SER A 220 10.426 -5.823 8.440 1.00 0.00 H new ATOM 0 HB3 SER A 220 9.039 -4.868 8.924 1.00 0.00 H new ATOM 0 HG SER A 220 8.919 -7.057 9.721 1.00 0.00 H new ATOM 796 N ARG A 221 6.813 -6.369 6.333 1.00 0.00 N ATOM 797 CA ARG A 221 5.334 -6.258 6.158 1.00 0.00 C ATOM 798 C ARG A 221 4.691 -5.687 7.421 1.00 0.00 C ATOM 799 O ARG A 221 3.791 -4.877 7.344 1.00 0.00 O ATOM 800 CB ARG A 221 4.735 -7.640 5.904 1.00 0.00 C ATOM 801 CG ARG A 221 5.149 -8.136 4.526 1.00 0.00 C ATOM 802 CD ARG A 221 4.496 -9.492 4.281 1.00 0.00 C ATOM 803 NE ARG A 221 4.944 -10.444 5.325 1.00 0.00 N ATOM 804 CZ ARG A 221 4.342 -11.592 5.468 1.00 0.00 C ATOM 805 NH1 ARG A 221 3.383 -11.933 4.649 1.00 0.00 N ATOM 806 NH2 ARG A 221 4.697 -12.392 6.432 1.00 0.00 N ATOM 0 H ARG A 221 7.211 -7.287 6.134 1.00 0.00 H new ATOM 0 HA ARG A 221 5.141 -5.599 5.312 1.00 0.00 H new ATOM 0 HB2 ARG A 221 5.073 -8.339 6.669 1.00 0.00 H new ATOM 0 HB3 ARG A 221 3.648 -7.594 5.972 1.00 0.00 H new ATOM 0 HG2 ARG A 221 4.842 -7.424 3.760 1.00 0.00 H new ATOM 0 HG3 ARG A 221 6.234 -8.222 4.465 1.00 0.00 H new ATOM 0 HD2 ARG A 221 3.410 -9.395 4.302 1.00 0.00 H new ATOM 0 HD3 ARG A 221 4.764 -9.865 3.293 1.00 0.00 H new ATOM 0 HE ARG A 221 5.726 -10.200 5.933 1.00 0.00 H new ATOM 0 HH11 ARG A 221 3.105 -11.301 3.898 1.00 0.00 H new ATOM 0 HH12 ARG A 221 2.912 -12.831 4.761 1.00 0.00 H new ATOM 0 HH21 ARG A 221 5.443 -12.120 7.072 1.00 0.00 H new ATOM 0 HH22 ARG A 221 4.229 -13.291 6.547 1.00 0.00 H new ATOM 820 N ALA A 222 5.131 -6.092 8.578 1.00 0.00 N ATOM 821 CA ALA A 222 4.508 -5.555 9.829 1.00 0.00 C ATOM 822 C ALA A 222 4.674 -4.034 9.869 1.00 0.00 C ATOM 823 O ALA A 222 3.766 -3.311 10.242 1.00 0.00 O ATOM 824 CB ALA A 222 5.184 -6.171 11.055 1.00 0.00 C ATOM 0 H ALA A 222 5.886 -6.764 8.717 1.00 0.00 H new ATOM 0 HA ALA A 222 3.448 -5.810 9.838 1.00 0.00 H new ATOM 0 HB1 ALA A 222 4.725 -5.775 11.961 1.00 0.00 H new ATOM 0 HB2 ALA A 222 5.064 -7.254 11.031 1.00 0.00 H new ATOM 0 HB3 ALA A 222 6.245 -5.923 11.048 1.00 0.00 H new ATOM 830 N THR A 223 5.811 -3.532 9.466 1.00 0.00 N ATOM 831 CA THR A 223 6.002 -2.051 9.469 1.00 0.00 C ATOM 832 C THR A 223 5.098 -1.389 8.420 1.00 0.00 C ATOM 833 O THR A 223 4.546 -0.334 8.642 1.00 0.00 O ATOM 834 CB THR A 223 7.457 -1.718 9.140 1.00 0.00 C ATOM 835 OG1 THR A 223 8.305 -2.200 10.180 1.00 0.00 O ATOM 836 CG2 THR A 223 7.609 -0.198 8.993 1.00 0.00 C ATOM 0 H THR A 223 6.609 -4.076 9.138 1.00 0.00 H new ATOM 0 HA THR A 223 5.744 -1.675 10.459 1.00 0.00 H new ATOM 0 HB THR A 223 7.742 -2.197 8.203 1.00 0.00 H new ATOM 0 HG1 THR A 223 9.238 -1.987 9.967 1.00 0.00 H new ATOM 0 HG21 THR A 223 8.646 0.043 8.758 1.00 0.00 H new ATOM 0 HG22 THR A 223 6.963 0.156 8.189 1.00 0.00 H new ATOM 0 HG23 THR A 223 7.326 0.288 9.927 1.00 0.00 H new ATOM 844 N ALA A 224 4.967 -1.985 7.267 1.00 0.00 N ATOM 845 CA ALA A 224 4.134 -1.370 6.198 1.00 0.00 C ATOM 846 C ALA A 224 2.686 -1.217 6.659 1.00 0.00 C ATOM 847 O ALA A 224 2.126 -0.154 6.578 1.00 0.00 O ATOM 848 CB ALA A 224 4.180 -2.254 4.961 1.00 0.00 C ATOM 0 H ALA A 224 5.402 -2.874 7.019 1.00 0.00 H new ATOM 0 HA ALA A 224 4.530 -0.381 5.969 1.00 0.00 H new ATOM 0 HB1 ALA A 224 3.572 -1.810 4.173 1.00 0.00 H new ATOM 0 HB2 ALA A 224 5.210 -2.344 4.617 1.00 0.00 H new ATOM 0 HB3 ALA A 224 3.791 -3.242 5.206 1.00 0.00 H new ATOM 854 N PHE A 225 2.078 -2.255 7.144 1.00 0.00 N ATOM 855 CA PHE A 225 0.668 -2.133 7.596 1.00 0.00 C ATOM 856 C PHE A 225 0.544 -1.089 8.713 1.00 0.00 C ATOM 857 O PHE A 225 -0.374 -0.286 8.718 1.00 0.00 O ATOM 858 CB PHE A 225 0.178 -3.496 8.089 1.00 0.00 C ATOM 859 CG PHE A 225 -1.219 -3.348 8.654 1.00 0.00 C ATOM 860 CD1 PHE A 225 -2.280 -2.934 7.823 1.00 0.00 C ATOM 861 CD2 PHE A 225 -1.464 -3.626 10.007 1.00 0.00 C ATOM 862 CE1 PHE A 225 -3.572 -2.792 8.343 1.00 0.00 C ATOM 863 CE2 PHE A 225 -2.769 -3.482 10.531 1.00 0.00 C ATOM 864 CZ PHE A 225 -3.821 -3.063 9.695 1.00 0.00 C ATOM 0 H PHE A 225 2.493 -3.181 7.248 1.00 0.00 H new ATOM 0 HA PHE A 225 0.053 -1.805 6.758 1.00 0.00 H new ATOM 0 HB2 PHE A 225 0.177 -4.214 7.269 1.00 0.00 H new ATOM 0 HB3 PHE A 225 0.853 -3.884 8.852 1.00 0.00 H new ATOM 0 HD1 PHE A 225 -2.095 -2.725 6.780 1.00 0.00 H new ATOM 0 HD2 PHE A 225 -0.657 -3.950 10.647 1.00 0.00 H new ATOM 0 HE1 PHE A 225 -4.379 -2.473 7.700 1.00 0.00 H new ATOM 0 HE2 PHE A 225 -2.959 -3.694 11.573 1.00 0.00 H new ATOM 0 HZ PHE A 225 -4.818 -2.951 10.095 1.00 0.00 H new ATOM 874 N ARG A 226 1.449 -1.069 9.651 1.00 0.00 N ATOM 875 CA ARG A 226 1.343 -0.060 10.732 1.00 0.00 C ATOM 876 C ARG A 226 1.390 1.345 10.131 1.00 0.00 C ATOM 877 O ARG A 226 0.653 2.224 10.528 1.00 0.00 O ATOM 878 CB ARG A 226 2.496 -0.263 11.703 1.00 0.00 C ATOM 879 CG ARG A 226 2.273 -1.560 12.472 1.00 0.00 C ATOM 880 CD ARG A 226 3.424 -1.792 13.460 1.00 0.00 C ATOM 881 NE ARG A 226 4.693 -2.071 12.722 1.00 0.00 N ATOM 882 CZ ARG A 226 5.838 -1.984 13.348 1.00 0.00 C ATOM 883 NH1 ARG A 226 5.863 -1.675 14.622 1.00 0.00 N ATOM 884 NH2 ARG A 226 6.953 -2.210 12.706 1.00 0.00 N ATOM 0 H ARG A 226 2.247 -1.701 9.713 1.00 0.00 H new ATOM 0 HA ARG A 226 0.398 -0.175 11.263 1.00 0.00 H new ATOM 0 HB2 ARG A 226 3.441 -0.304 11.162 1.00 0.00 H new ATOM 0 HB3 ARG A 226 2.560 0.578 12.393 1.00 0.00 H new ATOM 0 HG2 ARG A 226 1.326 -1.515 13.009 1.00 0.00 H new ATOM 0 HG3 ARG A 226 2.206 -2.397 11.777 1.00 0.00 H new ATOM 0 HD2 ARG A 226 3.550 -0.915 14.095 1.00 0.00 H new ATOM 0 HD3 ARG A 226 3.186 -2.629 14.116 1.00 0.00 H new ATOM 0 HE ARG A 226 4.666 -2.328 11.735 1.00 0.00 H new ATOM 0 HH11 ARG A 226 4.991 -1.503 15.122 1.00 0.00 H new ATOM 0 HH12 ARG A 226 6.755 -1.606 15.113 1.00 0.00 H new ATOM 0 HH21 ARG A 226 6.931 -2.454 11.716 1.00 0.00 H new ATOM 0 HH22 ARG A 226 7.846 -2.142 13.195 1.00 0.00 H new ATOM 898 N ARG A 227 2.228 1.555 9.158 1.00 0.00 N ATOM 899 CA ARG A 227 2.301 2.891 8.515 1.00 0.00 C ATOM 900 C ARG A 227 0.956 3.188 7.865 1.00 0.00 C ATOM 901 O ARG A 227 0.474 4.301 7.892 1.00 0.00 O ATOM 902 CB ARG A 227 3.404 2.862 7.466 1.00 0.00 C ATOM 903 CG ARG A 227 3.625 4.251 6.843 1.00 0.00 C ATOM 904 CD ARG A 227 4.365 5.180 7.812 1.00 0.00 C ATOM 905 NE ARG A 227 4.867 6.379 7.075 1.00 0.00 N ATOM 906 CZ ARG A 227 5.249 7.444 7.726 1.00 0.00 C ATOM 907 NH1 ARG A 227 5.208 7.467 9.029 1.00 0.00 N ATOM 908 NH2 ARG A 227 5.681 8.482 7.067 1.00 0.00 N ATOM 0 H ARG A 227 2.867 0.856 8.780 1.00 0.00 H new ATOM 0 HA ARG A 227 2.524 3.667 9.247 1.00 0.00 H new ATOM 0 HB2 ARG A 227 4.331 2.514 7.921 1.00 0.00 H new ATOM 0 HB3 ARG A 227 3.145 2.148 6.684 1.00 0.00 H new ATOM 0 HG2 ARG A 227 4.197 4.152 5.921 1.00 0.00 H new ATOM 0 HG3 ARG A 227 2.664 4.690 6.576 1.00 0.00 H new ATOM 0 HD2 ARG A 227 3.697 5.489 8.616 1.00 0.00 H new ATOM 0 HD3 ARG A 227 5.198 4.650 8.274 1.00 0.00 H new ATOM 0 HE ARG A 227 4.911 6.365 6.056 1.00 0.00 H new ATOM 0 HH11 ARG A 227 4.877 6.651 9.543 1.00 0.00 H new ATOM 0 HH12 ARG A 227 5.507 8.301 9.534 1.00 0.00 H new ATOM 0 HH21 ARG A 227 5.719 8.459 6.048 1.00 0.00 H new ATOM 0 HH22 ARG A 227 5.981 9.317 7.570 1.00 0.00 H new ATOM 922 N ILE A 228 0.348 2.198 7.273 1.00 0.00 N ATOM 923 CA ILE A 228 -0.962 2.438 6.606 1.00 0.00 C ATOM 924 C ILE A 228 -1.978 2.942 7.634 1.00 0.00 C ATOM 925 O ILE A 228 -2.761 3.829 7.354 1.00 0.00 O ATOM 926 CB ILE A 228 -1.486 1.121 6.019 1.00 0.00 C ATOM 927 CG1 ILE A 228 -0.471 0.561 4.991 1.00 0.00 C ATOM 928 CG2 ILE A 228 -2.850 1.365 5.370 1.00 0.00 C ATOM 929 CD1 ILE A 228 -0.678 1.172 3.602 1.00 0.00 C ATOM 0 H ILE A 228 0.698 1.241 7.222 1.00 0.00 H new ATOM 0 HA ILE A 228 -0.827 3.178 5.817 1.00 0.00 H new ATOM 0 HB ILE A 228 -1.604 0.383 6.812 1.00 0.00 H new ATOM 0 HG12 ILE A 228 0.544 0.767 5.332 1.00 0.00 H new ATOM 0 HG13 ILE A 228 -0.573 -0.523 4.931 1.00 0.00 H new ATOM 0 HG21 ILE A 228 -3.226 0.431 4.951 1.00 0.00 H new ATOM 0 HG22 ILE A 228 -3.549 1.734 6.120 1.00 0.00 H new ATOM 0 HG23 ILE A 228 -2.748 2.104 4.575 1.00 0.00 H new ATOM 0 HD11 ILE A 228 0.052 0.755 2.909 1.00 0.00 H new ATOM 0 HD12 ILE A 228 -1.684 0.944 3.250 1.00 0.00 H new ATOM 0 HD13 ILE A 228 -0.550 2.253 3.657 1.00 0.00 H new ATOM 941 N GLN A 229 -1.970 2.394 8.814 1.00 0.00 N ATOM 942 CA GLN A 229 -2.944 2.843 9.864 1.00 0.00 C ATOM 943 C GLN A 229 -2.626 4.275 10.297 1.00 0.00 C ATOM 944 O GLN A 229 -3.472 4.973 10.826 1.00 0.00 O ATOM 945 CB GLN A 229 -2.844 1.904 11.070 1.00 0.00 C ATOM 946 CG GLN A 229 -3.247 0.493 10.635 1.00 0.00 C ATOM 947 CD GLN A 229 -4.736 0.461 10.277 1.00 0.00 C ATOM 948 OE1 GLN A 229 -5.538 1.079 10.937 1.00 0.00 O ATOM 949 NE2 GLN A 229 -5.134 -0.243 9.249 1.00 0.00 N ATOM 0 H GLN A 229 -1.333 1.653 9.105 1.00 0.00 H new ATOM 0 HA GLN A 229 -3.955 2.817 9.457 1.00 0.00 H new ATOM 0 HB2 GLN A 229 -1.827 1.901 11.462 1.00 0.00 H new ATOM 0 HB3 GLN A 229 -3.494 2.251 11.873 1.00 0.00 H new ATOM 0 HG2 GLN A 229 -2.651 0.184 9.776 1.00 0.00 H new ATOM 0 HG3 GLN A 229 -3.042 -0.216 11.437 1.00 0.00 H new ATOM 0 HE21 GLN A 229 -4.455 -0.764 8.694 1.00 0.00 H new ATOM 0 HE22 GLN A 229 -6.123 -0.271 9.003 1.00 0.00 H new ATOM 958 N GLN A 230 -1.417 4.719 10.077 1.00 0.00 N ATOM 959 CA GLN A 230 -1.049 6.112 10.478 1.00 0.00 C ATOM 960 C GLN A 230 -1.572 7.112 9.436 1.00 0.00 C ATOM 961 O GLN A 230 -1.538 8.312 9.642 1.00 0.00 O ATOM 962 CB GLN A 230 0.477 6.229 10.575 1.00 0.00 C ATOM 963 CG GLN A 230 0.976 5.434 11.784 1.00 0.00 C ATOM 964 CD GLN A 230 0.553 6.136 13.078 1.00 0.00 C ATOM 965 OE1 GLN A 230 0.671 7.340 13.197 1.00 0.00 O ATOM 966 NE2 GLN A 230 0.075 5.422 14.067 1.00 0.00 N ATOM 0 H GLN A 230 -0.669 4.181 9.639 1.00 0.00 H new ATOM 0 HA GLN A 230 -1.497 6.336 11.446 1.00 0.00 H new ATOM 0 HB2 GLN A 230 0.940 5.852 9.663 1.00 0.00 H new ATOM 0 HB3 GLN A 230 0.766 7.276 10.670 1.00 0.00 H new ATOM 0 HG2 GLN A 230 0.570 4.423 11.759 1.00 0.00 H new ATOM 0 HG3 GLN A 230 2.062 5.342 11.747 1.00 0.00 H new ATOM 0 HE21 GLN A 230 -0.023 4.412 13.966 1.00 0.00 H new ATOM 0 HE22 GLN A 230 -0.199 5.876 14.938 1.00 0.00 H new ATOM 975 N LEU A 231 -2.055 6.627 8.314 1.00 0.00 N ATOM 976 CA LEU A 231 -2.578 7.554 7.262 1.00 0.00 C ATOM 977 C LEU A 231 -3.875 8.191 7.763 1.00 0.00 C ATOM 978 O LEU A 231 -3.883 9.314 8.230 1.00 0.00 O ATOM 979 CB LEU A 231 -2.849 6.776 5.959 1.00 0.00 C ATOM 980 CG LEU A 231 -1.535 6.192 5.423 1.00 0.00 C ATOM 981 CD1 LEU A 231 -1.836 5.351 4.182 1.00 0.00 C ATOM 982 CD2 LEU A 231 -0.563 7.333 5.051 1.00 0.00 C ATOM 0 H LEU A 231 -2.109 5.635 8.084 1.00 0.00 H new ATOM 0 HA LEU A 231 -1.839 8.329 7.059 1.00 0.00 H new ATOM 0 HB2 LEU A 231 -3.565 5.975 6.144 1.00 0.00 H new ATOM 0 HB3 LEU A 231 -3.295 7.437 5.215 1.00 0.00 H new ATOM 0 HG LEU A 231 -1.073 5.571 6.190 1.00 0.00 H new ATOM 0 HD11 LEU A 231 -0.908 4.931 3.793 1.00 0.00 H new ATOM 0 HD12 LEU A 231 -2.517 4.542 4.447 1.00 0.00 H new ATOM 0 HD13 LEU A 231 -2.297 5.979 3.420 1.00 0.00 H new ATOM 0 HD21 LEU A 231 0.367 6.910 4.672 1.00 0.00 H new ATOM 0 HD22 LEU A 231 -1.016 7.961 4.284 1.00 0.00 H new ATOM 0 HD23 LEU A 231 -0.353 7.935 5.935 1.00 0.00 H new ATOM 994 N ASP A 232 -4.972 7.484 7.689 1.00 0.00 N ATOM 995 CA ASP A 232 -6.246 8.075 8.179 1.00 0.00 C ATOM 996 C ASP A 232 -7.390 7.075 8.076 1.00 0.00 C ATOM 997 O ASP A 232 -7.443 6.252 7.179 1.00 0.00 O ATOM 998 CB ASP A 232 -6.582 9.313 7.338 1.00 0.00 C ATOM 999 CG ASP A 232 -6.266 9.034 5.867 1.00 0.00 C ATOM 1000 OD1 ASP A 232 -5.102 8.837 5.560 1.00 0.00 O ATOM 1001 OD2 ASP A 232 -7.192 9.031 5.071 1.00 0.00 O ATOM 0 H ASP A 232 -5.039 6.537 7.316 1.00 0.00 H new ATOM 0 HA ASP A 232 -6.120 8.349 9.227 1.00 0.00 H new ATOM 0 HB2 ASP A 232 -7.636 9.568 7.452 1.00 0.00 H new ATOM 0 HB3 ASP A 232 -6.007 10.170 7.688 1.00 0.00 H new ATOM 1006 N GLU A 233 -8.340 7.180 8.973 1.00 0.00 N ATOM 1007 CA GLU A 233 -9.519 6.281 8.910 1.00 0.00 C ATOM 1008 C GLU A 233 -10.264 6.579 7.601 1.00 0.00 C ATOM 1009 O GLU A 233 -10.885 5.718 7.006 1.00 0.00 O ATOM 1010 CB GLU A 233 -10.435 6.539 10.112 1.00 0.00 C ATOM 1011 CG GLU A 233 -10.897 8.003 10.121 1.00 0.00 C ATOM 1012 CD GLU A 233 -11.765 8.248 11.355 1.00 0.00 C ATOM 1013 OE1 GLU A 233 -11.335 7.881 12.436 1.00 0.00 O ATOM 1014 OE2 GLU A 233 -12.836 8.814 11.201 1.00 0.00 O ATOM 0 H GLU A 233 -8.344 7.850 9.742 1.00 0.00 H new ATOM 0 HA GLU A 233 -9.208 5.237 8.938 1.00 0.00 H new ATOM 0 HB2 GLU A 233 -11.300 5.877 10.068 1.00 0.00 H new ATOM 0 HB3 GLU A 233 -9.906 6.311 11.037 1.00 0.00 H new ATOM 0 HG2 GLU A 233 -10.034 8.669 10.130 1.00 0.00 H new ATOM 0 HG3 GLU A 233 -11.461 8.225 9.215 1.00 0.00 H new ATOM 1021 N ALA A 234 -10.173 7.806 7.139 1.00 0.00 N ATOM 1022 CA ALA A 234 -10.834 8.192 5.861 1.00 0.00 C ATOM 1023 C ALA A 234 -10.258 7.324 4.751 1.00 0.00 C ATOM 1024 O ALA A 234 -10.939 6.950 3.820 1.00 0.00 O ATOM 1025 CB ALA A 234 -10.533 9.662 5.554 1.00 0.00 C ATOM 0 H ALA A 234 -9.663 8.559 7.601 1.00 0.00 H new ATOM 0 HA ALA A 234 -11.913 8.054 5.937 1.00 0.00 H new ATOM 0 HB1 ALA A 234 -11.016 9.945 4.619 1.00 0.00 H new ATOM 0 HB2 ALA A 234 -10.912 10.287 6.362 1.00 0.00 H new ATOM 0 HB3 ALA A 234 -9.456 9.801 5.462 1.00 0.00 H new ATOM 1031 N MET A 235 -9.000 6.997 4.844 1.00 0.00 N ATOM 1032 CA MET A 235 -8.376 6.152 3.800 1.00 0.00 C ATOM 1033 C MET A 235 -9.123 4.820 3.745 1.00 0.00 C ATOM 1034 O MET A 235 -9.361 4.275 2.689 1.00 0.00 O ATOM 1035 CB MET A 235 -6.907 5.904 4.151 1.00 0.00 C ATOM 1036 CG MET A 235 -6.198 5.214 2.980 1.00 0.00 C ATOM 1037 SD MET A 235 -4.736 4.346 3.597 1.00 0.00 S ATOM 1038 CE MET A 235 -5.584 3.092 4.597 1.00 0.00 C ATOM 0 H MET A 235 -8.379 7.281 5.602 1.00 0.00 H new ATOM 0 HA MET A 235 -8.429 6.651 2.832 1.00 0.00 H new ATOM 0 HB2 MET A 235 -6.414 6.849 4.379 1.00 0.00 H new ATOM 0 HB3 MET A 235 -6.838 5.284 5.045 1.00 0.00 H new ATOM 0 HG2 MET A 235 -6.874 4.511 2.493 1.00 0.00 H new ATOM 0 HG3 MET A 235 -5.909 5.950 2.230 1.00 0.00 H new ATOM 0 HE1 MET A 235 -5.475 3.335 5.654 1.00 0.00 H new ATOM 0 HE2 MET A 235 -6.642 3.073 4.336 1.00 0.00 H new ATOM 0 HE3 MET A 235 -5.145 2.114 4.403 1.00 0.00 H new ATOM 1048 N VAL A 236 -9.505 4.289 4.864 1.00 0.00 N ATOM 1049 CA VAL A 236 -10.235 2.993 4.828 1.00 0.00 C ATOM 1050 C VAL A 236 -11.510 3.195 4.020 1.00 0.00 C ATOM 1051 O VAL A 236 -11.896 2.363 3.225 1.00 0.00 O ATOM 1052 CB VAL A 236 -10.581 2.554 6.254 1.00 0.00 C ATOM 1053 CG1 VAL A 236 -11.504 1.338 6.202 1.00 0.00 C ATOM 1054 CG2 VAL A 236 -9.288 2.201 7.001 1.00 0.00 C ATOM 0 H VAL A 236 -9.349 4.685 5.791 1.00 0.00 H new ATOM 0 HA VAL A 236 -9.618 2.220 4.370 1.00 0.00 H new ATOM 0 HB VAL A 236 -11.089 3.364 6.778 1.00 0.00 H new ATOM 0 HG11 VAL A 236 -11.751 1.025 7.216 1.00 0.00 H new ATOM 0 HG12 VAL A 236 -12.419 1.598 5.670 1.00 0.00 H new ATOM 0 HG13 VAL A 236 -11.002 0.522 5.682 1.00 0.00 H new ATOM 0 HG21 VAL A 236 -9.529 1.888 8.017 1.00 0.00 H new ATOM 0 HG22 VAL A 236 -8.778 1.389 6.482 1.00 0.00 H new ATOM 0 HG23 VAL A 236 -8.637 3.075 7.035 1.00 0.00 H new ATOM 1064 N VAL A 237 -12.155 4.307 4.198 1.00 0.00 N ATOM 1065 CA VAL A 237 -13.389 4.584 3.410 1.00 0.00 C ATOM 1066 C VAL A 237 -12.989 4.814 1.944 1.00 0.00 C ATOM 1067 O VAL A 237 -13.745 4.539 1.030 1.00 0.00 O ATOM 1068 CB VAL A 237 -14.083 5.829 3.963 1.00 0.00 C ATOM 1069 CG1 VAL A 237 -15.301 6.172 3.102 1.00 0.00 C ATOM 1070 CG2 VAL A 237 -14.540 5.556 5.397 1.00 0.00 C ATOM 0 H VAL A 237 -11.884 5.039 4.854 1.00 0.00 H new ATOM 0 HA VAL A 237 -14.076 3.741 3.479 1.00 0.00 H new ATOM 0 HB VAL A 237 -13.385 6.666 3.949 1.00 0.00 H new ATOM 0 HG11 VAL A 237 -15.791 7.060 3.502 1.00 0.00 H new ATOM 0 HG12 VAL A 237 -14.980 6.364 2.078 1.00 0.00 H new ATOM 0 HG13 VAL A 237 -16.001 5.336 3.112 1.00 0.00 H new ATOM 0 HG21 VAL A 237 -15.036 6.441 5.796 1.00 0.00 H new ATOM 0 HG22 VAL A 237 -15.236 4.717 5.404 1.00 0.00 H new ATOM 0 HG23 VAL A 237 -13.675 5.315 6.015 1.00 0.00 H new ATOM 1080 N ALA A 238 -11.792 5.319 1.718 1.00 0.00 N ATOM 1081 CA ALA A 238 -11.330 5.576 0.319 1.00 0.00 C ATOM 1082 C ALA A 238 -11.335 4.250 -0.450 1.00 0.00 C ATOM 1083 O ALA A 238 -11.677 4.187 -1.616 1.00 0.00 O ATOM 1084 CB ALA A 238 -9.912 6.161 0.357 1.00 0.00 C ATOM 0 H ALA A 238 -11.120 5.562 2.445 1.00 0.00 H new ATOM 0 HA ALA A 238 -11.992 6.285 -0.177 1.00 0.00 H new ATOM 0 HB1 ALA A 238 -9.569 6.351 -0.660 1.00 0.00 H new ATOM 0 HB2 ALA A 238 -9.919 7.096 0.918 1.00 0.00 H new ATOM 0 HB3 ALA A 238 -9.239 5.453 0.840 1.00 0.00 H new