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 220 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 223 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 192 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 235 MET CE :methyl 156:sc= -0.784 (180deg=-4.17!) USER MOD Single : A 186 GLN : amide:sc= -0.202 K(o=-0.2,f=-0.74) USER MOD Single : A 197 LYS NZ :NH3+ 159:sc= -0.0202 (180deg=-0.244) USER MOD Single : A 202 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 203 CYS SG : rot 180:sc= 0 USER MOD Single : A 204 TYR OH : rot -132:sc= 0.301 USER MOD Single : A 214 HIS : no HD1:sc= -2.4 K(o=-2.4,f=-1.6) USER MOD Single : A 217 SER OG : rot 180:sc= 0 USER MOD Single : A 229 GLN : amide:sc= -2.53 K(o=-2.5,f=-1.5!) USER MOD Single : A 230 GLN : amide:sc= -0.207 X(o=-0.21,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 135 N ASP A 181 12.173 2.387 -1.147 1.00 0.00 N ATOM 136 CA ASP A 181 11.161 1.902 -2.110 1.00 0.00 C ATOM 137 C ASP A 181 10.059 2.945 -2.325 1.00 0.00 C ATOM 138 O ASP A 181 8.884 2.630 -2.276 1.00 0.00 O ATOM 139 CB ASP A 181 10.540 0.657 -1.526 1.00 0.00 C ATOM 140 CG ASP A 181 11.555 -0.474 -1.544 1.00 0.00 C ATOM 141 OD1 ASP A 181 12.736 -0.188 -1.444 1.00 0.00 O ATOM 142 OD2 ASP A 181 11.138 -1.607 -1.682 1.00 0.00 O ATOM 0 HA ASP A 181 11.638 1.706 -3.070 1.00 0.00 H new ATOM 0 HB2 ASP A 181 10.210 0.847 -0.505 1.00 0.00 H new ATOM 0 HB3 ASP A 181 9.656 0.376 -2.099 1.00 0.00 H new ATOM 147 N GLU A 182 10.405 4.173 -2.578 1.00 0.00 N ATOM 148 CA GLU A 182 9.337 5.184 -2.804 1.00 0.00 C ATOM 149 C GLU A 182 8.496 4.736 -4.000 1.00 0.00 C ATOM 150 O GLU A 182 7.288 4.860 -3.994 1.00 0.00 O ATOM 151 CB GLU A 182 9.943 6.568 -3.068 1.00 0.00 C ATOM 152 CG GLU A 182 10.796 6.542 -4.338 1.00 0.00 C ATOM 153 CD GLU A 182 11.632 7.821 -4.422 1.00 0.00 C ATOM 154 OE1 GLU A 182 12.358 8.092 -3.480 1.00 0.00 O ATOM 155 OE2 GLU A 182 11.532 8.505 -5.426 1.00 0.00 O ATOM 0 H GLU A 182 11.363 4.518 -2.638 1.00 0.00 H new ATOM 0 HA GLU A 182 8.713 5.262 -1.914 1.00 0.00 H new ATOM 0 HB2 GLU A 182 9.148 7.307 -3.171 1.00 0.00 H new ATOM 0 HB3 GLU A 182 10.554 6.873 -2.218 1.00 0.00 H new ATOM 0 HG2 GLU A 182 11.449 5.669 -4.332 1.00 0.00 H new ATOM 0 HG3 GLU A 182 10.156 6.456 -5.216 1.00 0.00 H new ATOM 162 N ASP A 183 9.121 4.204 -5.026 1.00 0.00 N ATOM 163 CA ASP A 183 8.344 3.730 -6.213 1.00 0.00 C ATOM 164 C ASP A 183 7.445 2.557 -5.814 1.00 0.00 C ATOM 165 O ASP A 183 6.315 2.463 -6.248 1.00 0.00 O ATOM 166 CB ASP A 183 9.310 3.273 -7.310 1.00 0.00 C ATOM 167 CG ASP A 183 10.010 4.493 -7.900 1.00 0.00 C ATOM 168 OD1 ASP A 183 9.319 5.446 -8.220 1.00 0.00 O ATOM 169 OD2 ASP A 183 11.222 4.455 -8.020 1.00 0.00 O ATOM 0 H ASP A 183 10.131 4.079 -5.091 1.00 0.00 H new ATOM 0 HA ASP A 183 7.727 4.549 -6.583 1.00 0.00 H new ATOM 0 HB2 ASP A 183 10.045 2.580 -6.899 1.00 0.00 H new ATOM 0 HB3 ASP A 183 8.768 2.737 -8.089 1.00 0.00 H new ATOM 174 N ALA A 184 7.936 1.657 -4.991 1.00 0.00 N ATOM 175 CA ALA A 184 7.098 0.492 -4.571 1.00 0.00 C ATOM 176 C ALA A 184 6.056 0.960 -3.550 1.00 0.00 C ATOM 177 O ALA A 184 4.940 0.483 -3.516 1.00 0.00 O ATOM 178 CB ALA A 184 7.988 -0.612 -3.955 1.00 0.00 C ATOM 0 H ALA A 184 8.876 1.681 -4.596 1.00 0.00 H new ATOM 0 HA ALA A 184 6.591 0.080 -5.443 1.00 0.00 H new ATOM 0 HB1 ALA A 184 7.366 -1.455 -3.653 1.00 0.00 H new ATOM 0 HB2 ALA A 184 8.717 -0.945 -4.693 1.00 0.00 H new ATOM 0 HB3 ALA A 184 8.509 -0.215 -3.084 1.00 0.00 H new ATOM 184 N TRP A 185 6.416 1.884 -2.708 1.00 0.00 N ATOM 185 CA TRP A 185 5.450 2.360 -1.693 1.00 0.00 C ATOM 186 C TRP A 185 4.219 2.935 -2.409 1.00 0.00 C ATOM 187 O TRP A 185 3.101 2.571 -2.107 1.00 0.00 O ATOM 188 CB TRP A 185 6.129 3.417 -0.815 1.00 0.00 C ATOM 189 CG TRP A 185 5.150 3.933 0.173 1.00 0.00 C ATOM 190 CD1 TRP A 185 4.687 5.203 0.227 1.00 0.00 C ATOM 191 CD2 TRP A 185 4.495 3.208 1.245 1.00 0.00 C ATOM 192 NE1 TRP A 185 3.789 5.302 1.272 1.00 0.00 N ATOM 193 CE2 TRP A 185 3.642 4.099 1.931 1.00 0.00 C ATOM 194 CE3 TRP A 185 4.559 1.874 1.687 1.00 0.00 C ATOM 195 CZ2 TRP A 185 2.883 3.682 3.016 1.00 0.00 C ATOM 196 CZ3 TRP A 185 3.793 1.455 2.774 1.00 0.00 C ATOM 197 CH2 TRP A 185 2.958 2.355 3.440 1.00 0.00 C ATOM 0 H TRP A 185 7.334 2.327 -2.681 1.00 0.00 H new ATOM 0 HA TRP A 185 5.125 1.540 -1.053 1.00 0.00 H new ATOM 0 HB2 TRP A 185 6.988 2.984 -0.302 1.00 0.00 H new ATOM 0 HB3 TRP A 185 6.505 4.233 -1.432 1.00 0.00 H new ATOM 0 HD1 TRP A 185 4.972 6.006 -0.437 1.00 0.00 H new ATOM 0 HE1 TRP A 185 3.296 6.158 1.525 1.00 0.00 H new ATOM 0 HE3 TRP A 185 5.205 1.171 1.182 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 2.238 4.381 3.529 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 3.846 0.428 3.103 1.00 0.00 H new ATOM 0 HH2 TRP A 185 2.370 2.024 4.283 1.00 0.00 H new ATOM 208 N GLN A 186 4.412 3.782 -3.385 1.00 0.00 N ATOM 209 CA GLN A 186 3.249 4.329 -4.147 1.00 0.00 C ATOM 210 C GLN A 186 2.499 3.172 -4.797 1.00 0.00 C ATOM 211 O GLN A 186 1.289 3.160 -4.865 1.00 0.00 O ATOM 212 CB GLN A 186 3.733 5.289 -5.235 1.00 0.00 C ATOM 213 CG GLN A 186 4.272 6.564 -4.584 1.00 0.00 C ATOM 214 CD GLN A 186 3.106 7.342 -3.954 1.00 0.00 C ATOM 215 OE1 GLN A 186 2.066 7.500 -4.567 1.00 0.00 O ATOM 216 NE2 GLN A 186 3.231 7.831 -2.746 1.00 0.00 N ATOM 0 H GLN A 186 5.325 4.120 -3.689 1.00 0.00 H new ATOM 0 HA GLN A 186 2.594 4.870 -3.464 1.00 0.00 H new ATOM 0 HB2 GLN A 186 4.512 4.816 -5.833 1.00 0.00 H new ATOM 0 HB3 GLN A 186 2.914 5.531 -5.912 1.00 0.00 H new ATOM 0 HG2 GLN A 186 5.011 6.313 -3.823 1.00 0.00 H new ATOM 0 HG3 GLN A 186 4.777 7.181 -5.328 1.00 0.00 H new ATOM 0 HE21 GLN A 186 4.101 7.700 -2.230 1.00 0.00 H new ATOM 0 HE22 GLN A 186 2.458 8.343 -2.321 1.00 0.00 H new ATOM 225 N PHE A 187 3.210 2.195 -5.281 1.00 0.00 N ATOM 226 CA PHE A 187 2.539 1.039 -5.930 1.00 0.00 C ATOM 227 C PHE A 187 1.590 0.403 -4.916 1.00 0.00 C ATOM 228 O PHE A 187 0.439 0.153 -5.201 1.00 0.00 O ATOM 229 CB PHE A 187 3.622 0.039 -6.339 1.00 0.00 C ATOM 230 CG PHE A 187 3.057 -1.049 -7.228 1.00 0.00 C ATOM 231 CD1 PHE A 187 2.221 -2.039 -6.695 1.00 0.00 C ATOM 232 CD2 PHE A 187 3.384 -1.069 -8.591 1.00 0.00 C ATOM 233 CE1 PHE A 187 1.712 -3.047 -7.526 1.00 0.00 C ATOM 234 CE2 PHE A 187 2.876 -2.075 -9.419 1.00 0.00 C ATOM 235 CZ PHE A 187 2.040 -3.063 -8.888 1.00 0.00 C ATOM 0 H PHE A 187 4.229 2.147 -5.255 1.00 0.00 H new ATOM 0 HA PHE A 187 1.972 1.347 -6.808 1.00 0.00 H new ATOM 0 HB2 PHE A 187 4.423 0.561 -6.863 1.00 0.00 H new ATOM 0 HB3 PHE A 187 4.063 -0.408 -5.448 1.00 0.00 H new ATOM 0 HD1 PHE A 187 1.969 -2.026 -5.645 1.00 0.00 H new ATOM 0 HD2 PHE A 187 4.029 -0.307 -9.002 1.00 0.00 H new ATOM 0 HE1 PHE A 187 1.067 -3.811 -7.116 1.00 0.00 H new ATOM 0 HE2 PHE A 187 3.129 -2.089 -10.469 1.00 0.00 H new ATOM 0 HZ PHE A 187 1.647 -3.839 -9.529 1.00 0.00 H new ATOM 245 N LEU A 188 2.066 0.155 -3.732 1.00 0.00 N ATOM 246 CA LEU A 188 1.204 -0.443 -2.683 1.00 0.00 C ATOM 247 C LEU A 188 0.017 0.479 -2.388 1.00 0.00 C ATOM 248 O LEU A 188 -1.114 0.042 -2.302 1.00 0.00 O ATOM 249 CB LEU A 188 2.038 -0.625 -1.414 1.00 0.00 C ATOM 250 CG LEU A 188 1.193 -1.241 -0.282 1.00 0.00 C ATOM 251 CD1 LEU A 188 0.747 -2.656 -0.669 1.00 0.00 C ATOM 252 CD2 LEU A 188 2.033 -1.309 1.001 1.00 0.00 C ATOM 0 H LEU A 188 3.026 0.343 -3.444 1.00 0.00 H new ATOM 0 HA LEU A 188 0.823 -1.405 -3.025 1.00 0.00 H new ATOM 0 HB2 LEU A 188 2.893 -1.267 -1.625 1.00 0.00 H new ATOM 0 HB3 LEU A 188 2.435 0.338 -1.094 1.00 0.00 H new ATOM 0 HG LEU A 188 0.313 -0.620 -0.117 1.00 0.00 H new ATOM 0 HD11 LEU A 188 0.151 -3.083 0.137 1.00 0.00 H new ATOM 0 HD12 LEU A 188 0.149 -2.613 -1.579 1.00 0.00 H new ATOM 0 HD13 LEU A 188 1.624 -3.280 -0.841 1.00 0.00 H new ATOM 0 HD21 LEU A 188 1.437 -1.744 1.803 1.00 0.00 H new ATOM 0 HD22 LEU A 188 2.914 -1.927 0.827 1.00 0.00 H new ATOM 0 HD23 LEU A 188 2.345 -0.304 1.285 1.00 0.00 H new ATOM 264 N ILE A 189 0.276 1.745 -2.202 1.00 0.00 N ATOM 265 CA ILE A 189 -0.825 2.701 -1.881 1.00 0.00 C ATOM 266 C ILE A 189 -1.799 2.796 -3.057 1.00 0.00 C ATOM 267 O ILE A 189 -2.994 2.872 -2.867 1.00 0.00 O ATOM 268 CB ILE A 189 -0.224 4.094 -1.591 1.00 0.00 C ATOM 269 CG1 ILE A 189 0.714 4.035 -0.367 1.00 0.00 C ATOM 270 CG2 ILE A 189 -1.334 5.123 -1.331 1.00 0.00 C ATOM 271 CD1 ILE A 189 -0.011 3.475 0.867 1.00 0.00 C ATOM 0 H ILE A 189 1.206 2.161 -2.259 1.00 0.00 H new ATOM 0 HA ILE A 189 -1.365 2.344 -1.004 1.00 0.00 H new ATOM 0 HB ILE A 189 0.347 4.400 -2.468 1.00 0.00 H new ATOM 0 HG12 ILE A 189 1.578 3.411 -0.598 1.00 0.00 H new ATOM 0 HG13 ILE A 189 1.092 5.034 -0.147 1.00 0.00 H new ATOM 0 HG21 ILE A 189 -0.888 6.097 -1.129 1.00 0.00 H new ATOM 0 HG22 ILE A 189 -1.977 5.194 -2.208 1.00 0.00 H new ATOM 0 HG23 ILE A 189 -1.926 4.810 -0.471 1.00 0.00 H new ATOM 0 HD11 ILE A 189 0.677 3.447 1.712 1.00 0.00 H new ATOM 0 HD12 ILE A 189 -0.859 4.114 1.112 1.00 0.00 H new ATOM 0 HD13 ILE A 189 -0.366 2.467 0.654 1.00 0.00 H new ATOM 283 N ALA A 190 -1.307 2.815 -4.265 1.00 0.00 N ATOM 284 CA ALA A 190 -2.224 2.942 -5.435 1.00 0.00 C ATOM 285 C ALA A 190 -3.222 1.772 -5.503 1.00 0.00 C ATOM 286 O ALA A 190 -4.403 1.974 -5.699 1.00 0.00 O ATOM 287 CB ALA A 190 -1.393 2.982 -6.725 1.00 0.00 C ATOM 0 H ALA A 190 -0.315 2.749 -4.493 1.00 0.00 H new ATOM 0 HA ALA A 190 -2.795 3.864 -5.322 1.00 0.00 H new ATOM 0 HB1 ALA A 190 -2.058 3.075 -7.584 1.00 0.00 H new ATOM 0 HB2 ALA A 190 -0.717 3.836 -6.696 1.00 0.00 H new ATOM 0 HB3 ALA A 190 -0.813 2.063 -6.813 1.00 0.00 H new ATOM 293 N ASP A 191 -2.766 0.556 -5.351 1.00 0.00 N ATOM 294 CA ASP A 191 -3.707 -0.606 -5.427 1.00 0.00 C ATOM 295 C ASP A 191 -4.617 -0.622 -4.208 1.00 0.00 C ATOM 296 O ASP A 191 -5.790 -0.924 -4.292 1.00 0.00 O ATOM 297 CB ASP A 191 -2.911 -1.914 -5.469 1.00 0.00 C ATOM 298 CG ASP A 191 -1.847 -1.918 -4.375 1.00 0.00 C ATOM 299 OD1 ASP A 191 -2.215 -2.026 -3.218 1.00 0.00 O ATOM 300 OD2 ASP A 191 -0.683 -1.828 -4.716 1.00 0.00 O ATOM 0 H ASP A 191 -1.790 0.316 -5.179 1.00 0.00 H new ATOM 0 HA ASP A 191 -4.309 -0.509 -6.330 1.00 0.00 H new ATOM 0 HB2 ASP A 191 -3.583 -2.762 -5.336 1.00 0.00 H new ATOM 0 HB3 ASP A 191 -2.440 -2.031 -6.445 1.00 0.00 H new ATOM 305 N TYR A 192 -4.077 -0.312 -3.078 1.00 0.00 N ATOM 306 CA TYR A 192 -4.887 -0.327 -1.830 1.00 0.00 C ATOM 307 C TYR A 192 -6.064 0.654 -1.927 1.00 0.00 C ATOM 308 O TYR A 192 -7.142 0.375 -1.443 1.00 0.00 O ATOM 309 CB TYR A 192 -4.009 0.056 -0.643 1.00 0.00 C ATOM 310 CG TYR A 192 -4.786 -0.175 0.634 1.00 0.00 C ATOM 311 CD1 TYR A 192 -5.709 0.783 1.053 1.00 0.00 C ATOM 312 CD2 TYR A 192 -4.588 -1.339 1.397 1.00 0.00 C ATOM 313 CE1 TYR A 192 -6.437 0.592 2.227 1.00 0.00 C ATOM 314 CE2 TYR A 192 -5.321 -1.531 2.583 1.00 0.00 C ATOM 315 CZ TYR A 192 -6.247 -0.561 2.996 1.00 0.00 C ATOM 316 OH TYR A 192 -6.971 -0.740 4.157 1.00 0.00 O ATOM 0 H TYR A 192 -3.100 -0.045 -2.956 1.00 0.00 H new ATOM 0 HA TYR A 192 -5.282 -1.333 -1.692 1.00 0.00 H new ATOM 0 HB2 TYR A 192 -3.096 -0.539 -0.642 1.00 0.00 H new ATOM 0 HB3 TYR A 192 -3.708 1.101 -0.718 1.00 0.00 H new ATOM 0 HD1 TYR A 192 -5.861 1.677 0.466 1.00 0.00 H new ATOM 0 HD2 TYR A 192 -3.876 -2.084 1.074 1.00 0.00 H new ATOM 0 HE1 TYR A 192 -7.151 1.338 2.544 1.00 0.00 H new ATOM 0 HE2 TYR A 192 -5.171 -2.423 3.174 1.00 0.00 H new ATOM 0 HH TYR A 192 -6.720 -1.592 4.571 1.00 0.00 H new ATOM 326 N LEU A 193 -5.869 1.812 -2.509 1.00 0.00 N ATOM 327 CA LEU A 193 -6.989 2.808 -2.571 1.00 0.00 C ATOM 328 C LEU A 193 -7.998 2.444 -3.665 1.00 0.00 C ATOM 329 O LEU A 193 -9.051 3.041 -3.757 1.00 0.00 O ATOM 330 CB LEU A 193 -6.419 4.202 -2.863 1.00 0.00 C ATOM 331 CG LEU A 193 -5.453 4.626 -1.748 1.00 0.00 C ATOM 332 CD1 LEU A 193 -4.737 5.918 -2.158 1.00 0.00 C ATOM 333 CD2 LEU A 193 -6.229 4.850 -0.438 1.00 0.00 C ATOM 0 H LEU A 193 -4.994 2.110 -2.940 1.00 0.00 H new ATOM 0 HA LEU A 193 -7.501 2.800 -1.609 1.00 0.00 H new ATOM 0 HB2 LEU A 193 -5.899 4.197 -3.821 1.00 0.00 H new ATOM 0 HB3 LEU A 193 -7.231 4.925 -2.945 1.00 0.00 H new ATOM 0 HG LEU A 193 -4.716 3.839 -1.590 1.00 0.00 H new ATOM 0 HD11 LEU A 193 -4.051 6.220 -1.367 1.00 0.00 H new ATOM 0 HD12 LEU A 193 -4.178 5.748 -3.078 1.00 0.00 H new ATOM 0 HD13 LEU A 193 -5.473 6.706 -2.321 1.00 0.00 H new ATOM 0 HD21 LEU A 193 -5.537 5.151 0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 193 -6.973 5.633 -0.585 1.00 0.00 H new ATOM 0 HD23 LEU A 193 -6.728 3.925 -0.148 1.00 0.00 H new ATOM 345 N ARG A 194 -7.701 1.471 -4.483 1.00 0.00 N ATOM 346 CA ARG A 194 -8.663 1.080 -5.558 1.00 0.00 C ATOM 347 C ARG A 194 -9.825 0.296 -4.926 1.00 0.00 C ATOM 348 O ARG A 194 -9.660 -0.328 -3.894 1.00 0.00 O ATOM 349 CB ARG A 194 -7.928 0.213 -6.597 1.00 0.00 C ATOM 350 CG ARG A 194 -7.126 1.117 -7.547 1.00 0.00 C ATOM 351 CD ARG A 194 -6.531 0.276 -8.686 1.00 0.00 C ATOM 352 NE ARG A 194 -5.633 1.131 -9.527 1.00 0.00 N ATOM 353 CZ ARG A 194 -4.776 0.584 -10.359 1.00 0.00 C ATOM 354 NH1 ARG A 194 -4.670 -0.717 -10.442 1.00 0.00 N ATOM 355 NH2 ARG A 194 -4.016 1.346 -11.107 1.00 0.00 N ATOM 0 H ARG A 194 -6.837 0.930 -4.455 1.00 0.00 H new ATOM 0 HA ARG A 194 -9.061 1.965 -6.055 1.00 0.00 H new ATOM 0 HB2 ARG A 194 -7.260 -0.487 -6.095 1.00 0.00 H new ATOM 0 HB3 ARG A 194 -8.646 -0.381 -7.163 1.00 0.00 H new ATOM 0 HG2 ARG A 194 -7.772 1.894 -7.956 1.00 0.00 H new ATOM 0 HG3 ARG A 194 -6.329 1.620 -6.999 1.00 0.00 H new ATOM 0 HD2 ARG A 194 -5.971 -0.564 -8.276 1.00 0.00 H new ATOM 0 HD3 ARG A 194 -7.330 -0.142 -9.298 1.00 0.00 H new ATOM 0 HE ARG A 194 -5.688 2.147 -9.453 1.00 0.00 H new ATOM 0 HH11 ARG A 194 -5.255 -1.315 -9.858 1.00 0.00 H new ATOM 0 HH12 ARG A 194 -4.002 -1.134 -11.091 1.00 0.00 H new ATOM 0 HH21 ARG A 194 -4.091 2.361 -11.042 1.00 0.00 H new ATOM 0 HH22 ARG A 194 -3.350 0.924 -11.754 1.00 0.00 H new ATOM 369 N PRO A 195 -11.003 0.333 -5.525 1.00 0.00 N ATOM 370 CA PRO A 195 -12.201 -0.385 -4.980 1.00 0.00 C ATOM 371 C PRO A 195 -11.980 -1.899 -4.915 1.00 0.00 C ATOM 372 O PRO A 195 -12.701 -2.613 -4.244 1.00 0.00 O ATOM 373 CB PRO A 195 -13.333 -0.038 -5.968 1.00 0.00 C ATOM 374 CG PRO A 195 -12.642 0.405 -7.221 1.00 0.00 C ATOM 375 CD PRO A 195 -11.327 1.047 -6.778 1.00 0.00 C ATOM 0 HA PRO A 195 -12.424 -0.082 -3.957 1.00 0.00 H new ATOM 0 HB2 PRO A 195 -13.971 -0.902 -6.155 1.00 0.00 H new ATOM 0 HB3 PRO A 195 -13.973 0.751 -5.572 1.00 0.00 H new ATOM 0 HG2 PRO A 195 -12.459 -0.440 -7.884 1.00 0.00 H new ATOM 0 HG3 PRO A 195 -13.256 1.116 -7.774 1.00 0.00 H new ATOM 0 HD2 PRO A 195 -10.545 0.920 -7.527 1.00 0.00 H new ATOM 0 HD3 PRO A 195 -11.439 2.119 -6.613 1.00 0.00 H new ATOM 383 N GLU A 196 -10.986 -2.386 -5.603 1.00 0.00 N ATOM 384 CA GLU A 196 -10.700 -3.850 -5.583 1.00 0.00 C ATOM 385 C GLU A 196 -10.199 -4.210 -4.184 1.00 0.00 C ATOM 386 O GLU A 196 -10.423 -5.296 -3.691 1.00 0.00 O ATOM 387 CB GLU A 196 -9.618 -4.176 -6.623 1.00 0.00 C ATOM 388 CG GLU A 196 -10.138 -3.844 -8.022 1.00 0.00 C ATOM 389 CD GLU A 196 -11.228 -4.838 -8.398 1.00 0.00 C ATOM 390 OE1 GLU A 196 -11.115 -5.988 -8.006 1.00 0.00 O ATOM 391 OE2 GLU A 196 -12.168 -4.434 -9.064 1.00 0.00 O ATOM 0 H GLU A 196 -10.355 -1.831 -6.182 1.00 0.00 H new ATOM 0 HA GLU A 196 -11.598 -4.420 -5.823 1.00 0.00 H new ATOM 0 HB2 GLU A 196 -8.714 -3.604 -6.414 1.00 0.00 H new ATOM 0 HB3 GLU A 196 -9.348 -5.231 -6.565 1.00 0.00 H new ATOM 0 HG2 GLU A 196 -10.532 -2.828 -8.045 1.00 0.00 H new ATOM 0 HG3 GLU A 196 -9.324 -3.887 -8.746 1.00 0.00 H new ATOM 398 N LYS A 197 -9.522 -3.282 -3.554 1.00 0.00 N ATOM 399 CA LYS A 197 -8.984 -3.495 -2.179 1.00 0.00 C ATOM 400 C LYS A 197 -8.480 -4.925 -1.988 1.00 0.00 C ATOM 401 O LYS A 197 -8.955 -5.652 -1.140 1.00 0.00 O ATOM 402 CB LYS A 197 -10.064 -3.176 -1.132 1.00 0.00 C ATOM 403 CG LYS A 197 -11.336 -4.014 -1.365 1.00 0.00 C ATOM 404 CD LYS A 197 -12.290 -3.862 -0.166 1.00 0.00 C ATOM 405 CE LYS A 197 -13.268 -5.044 -0.116 1.00 0.00 C ATOM 406 NZ LYS A 197 -12.546 -6.266 0.351 1.00 0.00 N ATOM 0 H LYS A 197 -9.316 -2.364 -3.947 1.00 0.00 H new ATOM 0 HA LYS A 197 -8.139 -2.820 -2.045 1.00 0.00 H new ATOM 0 HB2 LYS A 197 -9.674 -3.373 -0.133 1.00 0.00 H new ATOM 0 HB3 LYS A 197 -10.312 -2.115 -1.174 1.00 0.00 H new ATOM 0 HG2 LYS A 197 -11.833 -3.690 -2.280 1.00 0.00 H new ATOM 0 HG3 LYS A 197 -11.072 -5.063 -1.500 1.00 0.00 H new ATOM 0 HD2 LYS A 197 -11.717 -3.814 0.760 1.00 0.00 H new ATOM 0 HD3 LYS A 197 -12.843 -2.926 -0.248 1.00 0.00 H new ATOM 0 HE2 LYS A 197 -14.095 -4.818 0.557 1.00 0.00 H new ATOM 0 HE3 LYS A 197 -13.698 -5.217 -1.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 197 -13.232 -6.954 0.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 197 -12.029 -6.689 -0.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 197 -11.874 -6.007 1.101 1.00 0.00 H new ATOM 420 N PRO A 198 -7.494 -5.321 -2.738 1.00 0.00 N ATOM 421 CA PRO A 198 -6.907 -6.685 -2.603 1.00 0.00 C ATOM 422 C PRO A 198 -6.597 -7.019 -1.136 1.00 0.00 C ATOM 423 O PRO A 198 -6.592 -6.158 -0.277 1.00 0.00 O ATOM 424 CB PRO A 198 -5.617 -6.597 -3.431 1.00 0.00 C ATOM 425 CG PRO A 198 -5.897 -5.546 -4.460 1.00 0.00 C ATOM 426 CD PRO A 198 -6.822 -4.528 -3.786 1.00 0.00 C ATOM 0 HA PRO A 198 -7.582 -7.471 -2.942 1.00 0.00 H new ATOM 0 HB2 PRO A 198 -4.765 -6.325 -2.809 1.00 0.00 H new ATOM 0 HB3 PRO A 198 -5.379 -7.554 -3.896 1.00 0.00 H new ATOM 0 HG2 PRO A 198 -4.974 -5.072 -4.795 1.00 0.00 H new ATOM 0 HG3 PRO A 198 -6.370 -5.979 -5.341 1.00 0.00 H new ATOM 0 HD2 PRO A 198 -6.262 -3.694 -3.362 1.00 0.00 H new ATOM 0 HD3 PRO A 198 -7.537 -4.106 -4.492 1.00 0.00 H new ATOM 434 N ALA A 199 -6.336 -8.256 -0.847 1.00 0.00 N ATOM 435 CA ALA A 199 -6.015 -8.636 0.554 1.00 0.00 C ATOM 436 C ALA A 199 -4.607 -8.121 0.902 1.00 0.00 C ATOM 437 O ALA A 199 -3.664 -8.308 0.160 1.00 0.00 O ATOM 438 CB ALA A 199 -6.071 -10.165 0.683 1.00 0.00 C ATOM 0 H ALA A 199 -6.330 -9.024 -1.519 1.00 0.00 H new ATOM 0 HA ALA A 199 -6.736 -8.195 1.242 1.00 0.00 H new ATOM 0 HB1 ALA A 199 -5.837 -10.452 1.708 1.00 0.00 H new ATOM 0 HB2 ALA A 199 -7.071 -10.515 0.427 1.00 0.00 H new ATOM 0 HB3 ALA A 199 -5.345 -10.614 0.005 1.00 0.00 H new ATOM 444 N PHE A 200 -4.465 -7.472 2.030 1.00 0.00 N ATOM 445 CA PHE A 200 -3.128 -6.940 2.444 1.00 0.00 C ATOM 446 C PHE A 200 -2.113 -8.095 2.582 1.00 0.00 C ATOM 447 O PHE A 200 -0.980 -7.993 2.144 1.00 0.00 O ATOM 448 CB PHE A 200 -3.282 -6.221 3.792 1.00 0.00 C ATOM 449 CG PHE A 200 -1.945 -5.687 4.253 1.00 0.00 C ATOM 450 CD1 PHE A 200 -1.298 -4.688 3.517 1.00 0.00 C ATOM 451 CD2 PHE A 200 -1.353 -6.187 5.417 1.00 0.00 C ATOM 452 CE1 PHE A 200 -0.059 -4.194 3.946 1.00 0.00 C ATOM 453 CE2 PHE A 200 -0.117 -5.695 5.842 1.00 0.00 C ATOM 454 CZ PHE A 200 0.530 -4.697 5.105 1.00 0.00 C ATOM 0 H PHE A 200 -5.222 -7.286 2.687 1.00 0.00 H new ATOM 0 HA PHE A 200 -2.761 -6.245 1.689 1.00 0.00 H new ATOM 0 HB2 PHE A 200 -3.996 -5.403 3.697 1.00 0.00 H new ATOM 0 HB3 PHE A 200 -3.683 -6.909 4.536 1.00 0.00 H new ATOM 0 HD1 PHE A 200 -1.753 -4.298 2.619 1.00 0.00 H new ATOM 0 HD2 PHE A 200 -1.853 -6.955 5.989 1.00 0.00 H new ATOM 0 HE1 PHE A 200 0.440 -3.423 3.378 1.00 0.00 H new ATOM 0 HE2 PHE A 200 0.340 -6.085 6.740 1.00 0.00 H new ATOM 0 HZ PHE A 200 1.486 -4.316 5.434 1.00 0.00 H new ATOM 464 N ARG A 201 -2.501 -9.189 3.182 1.00 0.00 N ATOM 465 CA ARG A 201 -1.554 -10.323 3.335 1.00 0.00 C ATOM 466 C ARG A 201 -1.105 -10.811 1.959 1.00 0.00 C ATOM 467 O ARG A 201 0.066 -11.002 1.714 1.00 0.00 O ATOM 468 CB ARG A 201 -2.257 -11.454 4.079 1.00 0.00 C ATOM 469 CG ARG A 201 -2.475 -11.033 5.538 1.00 0.00 C ATOM 470 CD ARG A 201 -3.170 -12.167 6.327 1.00 0.00 C ATOM 471 NE ARG A 201 -4.296 -11.617 7.149 1.00 0.00 N ATOM 472 CZ ARG A 201 -4.147 -10.539 7.874 1.00 0.00 C ATOM 473 NH1 ARG A 201 -2.984 -9.953 7.948 1.00 0.00 N ATOM 474 NH2 ARG A 201 -5.161 -10.064 8.547 1.00 0.00 N ATOM 0 H ARG A 201 -3.431 -9.343 3.571 1.00 0.00 H new ATOM 0 HA ARG A 201 -0.678 -9.999 3.897 1.00 0.00 H new ATOM 0 HB2 ARG A 201 -3.213 -11.679 3.605 1.00 0.00 H new ATOM 0 HB3 ARG A 201 -1.657 -12.363 4.035 1.00 0.00 H new ATOM 0 HG2 ARG A 201 -1.518 -10.793 6.001 1.00 0.00 H new ATOM 0 HG3 ARG A 201 -3.083 -10.129 5.576 1.00 0.00 H new ATOM 0 HD2 ARG A 201 -3.550 -12.920 5.636 1.00 0.00 H new ATOM 0 HD3 ARG A 201 -2.448 -12.664 6.974 1.00 0.00 H new ATOM 0 HE ARG A 201 -5.198 -12.094 7.143 1.00 0.00 H new ATOM 0 HH11 ARG A 201 -2.187 -10.335 7.439 1.00 0.00 H new ATOM 0 HH12 ARG A 201 -2.872 -9.112 8.515 1.00 0.00 H new ATOM 0 HH21 ARG A 201 -6.065 -10.534 8.506 1.00 0.00 H new ATOM 0 HH22 ARG A 201 -5.048 -9.223 9.114 1.00 0.00 H new ATOM 488 N LYS A 202 -2.028 -11.016 1.065 1.00 0.00 N ATOM 489 CA LYS A 202 -1.651 -11.503 -0.297 1.00 0.00 C ATOM 490 C LYS A 202 -1.067 -10.368 -1.127 1.00 0.00 C ATOM 491 O LYS A 202 -0.205 -10.574 -1.954 1.00 0.00 O ATOM 492 CB LYS A 202 -2.892 -12.052 -0.995 1.00 0.00 C ATOM 493 CG LYS A 202 -3.402 -13.255 -0.216 1.00 0.00 C ATOM 494 CD LYS A 202 -4.645 -13.817 -0.902 1.00 0.00 C ATOM 495 CE LYS A 202 -5.159 -15.026 -0.118 1.00 0.00 C ATOM 496 NZ LYS A 202 -6.436 -15.491 -0.714 1.00 0.00 N ATOM 0 H LYS A 202 -3.026 -10.869 1.214 1.00 0.00 H new ATOM 0 HA LYS A 202 -0.900 -12.287 -0.196 1.00 0.00 H new ATOM 0 HB2 LYS A 202 -3.664 -11.284 -1.051 1.00 0.00 H new ATOM 0 HB3 LYS A 202 -2.653 -12.339 -2.019 1.00 0.00 H new ATOM 0 HG2 LYS A 202 -2.628 -14.020 -0.160 1.00 0.00 H new ATOM 0 HG3 LYS A 202 -3.639 -12.965 0.808 1.00 0.00 H new ATOM 0 HD2 LYS A 202 -5.419 -13.052 -0.959 1.00 0.00 H new ATOM 0 HD3 LYS A 202 -4.408 -14.108 -1.925 1.00 0.00 H new ATOM 0 HE2 LYS A 202 -4.421 -15.828 -0.139 1.00 0.00 H new ATOM 0 HE3 LYS A 202 -5.309 -14.759 0.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 202 -6.788 -16.313 -0.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 202 -7.138 -14.725 -0.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 202 -6.278 -15.761 -1.706 1.00 0.00 H new ATOM 510 N CYS A 203 -1.546 -9.174 -0.930 1.00 0.00 N ATOM 511 CA CYS A 203 -1.030 -8.027 -1.731 1.00 0.00 C ATOM 512 C CYS A 203 0.468 -7.855 -1.504 1.00 0.00 C ATOM 513 O CYS A 203 1.214 -7.580 -2.425 1.00 0.00 O ATOM 514 CB CYS A 203 -1.749 -6.749 -1.308 1.00 0.00 C ATOM 515 SG CYS A 203 -1.084 -5.343 -2.233 1.00 0.00 S ATOM 0 H CYS A 203 -2.271 -8.941 -0.251 1.00 0.00 H new ATOM 0 HA CYS A 203 -1.211 -8.225 -2.787 1.00 0.00 H new ATOM 0 HB2 CYS A 203 -2.819 -6.844 -1.491 1.00 0.00 H new ATOM 0 HB3 CYS A 203 -1.622 -6.586 -0.238 1.00 0.00 H new ATOM 0 HG CYS A 203 -1.699 -4.256 -1.872 1.00 0.00 H new ATOM 521 N TYR A 204 0.921 -8.005 -0.293 1.00 0.00 N ATOM 522 CA TYR A 204 2.375 -7.844 -0.030 1.00 0.00 C ATOM 523 C TYR A 204 3.157 -8.875 -0.852 1.00 0.00 C ATOM 524 O TYR A 204 4.200 -8.585 -1.400 1.00 0.00 O ATOM 525 CB TYR A 204 2.655 -8.058 1.459 1.00 0.00 C ATOM 526 CG TYR A 204 4.024 -7.521 1.798 1.00 0.00 C ATOM 527 CD1 TYR A 204 5.154 -8.340 1.670 1.00 0.00 C ATOM 528 CD2 TYR A 204 4.166 -6.195 2.232 1.00 0.00 C ATOM 529 CE1 TYR A 204 6.422 -7.834 1.979 1.00 0.00 C ATOM 530 CE2 TYR A 204 5.434 -5.690 2.536 1.00 0.00 C ATOM 531 CZ TYR A 204 6.562 -6.510 2.412 1.00 0.00 C ATOM 532 OH TYR A 204 7.812 -6.012 2.709 1.00 0.00 O ATOM 0 H TYR A 204 0.351 -8.231 0.522 1.00 0.00 H new ATOM 0 HA TYR A 204 2.686 -6.839 -0.314 1.00 0.00 H new ATOM 0 HB2 TYR A 204 1.897 -7.554 2.058 1.00 0.00 H new ATOM 0 HB3 TYR A 204 2.599 -9.119 1.701 1.00 0.00 H new ATOM 0 HD1 TYR A 204 5.047 -9.361 1.333 1.00 0.00 H new ATOM 0 HD2 TYR A 204 3.296 -5.564 2.331 1.00 0.00 H new ATOM 0 HE1 TYR A 204 7.293 -8.465 1.883 1.00 0.00 H new ATOM 0 HE2 TYR A 204 5.543 -4.668 2.866 1.00 0.00 H new ATOM 0 HH TYR A 204 7.786 -5.559 3.577 1.00 0.00 H new ATOM 542 N GLU A 205 2.671 -10.087 -0.933 1.00 0.00 N ATOM 543 CA GLU A 205 3.404 -11.132 -1.709 1.00 0.00 C ATOM 544 C GLU A 205 3.543 -10.698 -3.174 1.00 0.00 C ATOM 545 O GLU A 205 4.602 -10.809 -3.764 1.00 0.00 O ATOM 546 CB GLU A 205 2.631 -12.455 -1.619 1.00 0.00 C ATOM 547 CG GLU A 205 2.747 -13.028 -0.202 1.00 0.00 C ATOM 548 CD GLU A 205 4.164 -13.565 0.013 1.00 0.00 C ATOM 549 OE1 GLU A 205 4.556 -14.449 -0.730 1.00 0.00 O ATOM 550 OE2 GLU A 205 4.833 -13.090 0.919 1.00 0.00 O ATOM 0 H GLU A 205 1.802 -10.397 -0.498 1.00 0.00 H new ATOM 0 HA GLU A 205 4.403 -11.265 -1.293 1.00 0.00 H new ATOM 0 HB2 GLU A 205 1.583 -12.292 -1.871 1.00 0.00 H new ATOM 0 HB3 GLU A 205 3.026 -13.168 -2.343 1.00 0.00 H new ATOM 0 HG2 GLU A 205 2.523 -12.256 0.534 1.00 0.00 H new ATOM 0 HG3 GLU A 205 2.018 -13.826 -0.059 1.00 0.00 H new ATOM 557 N ARG A 206 2.499 -10.179 -3.758 1.00 0.00 N ATOM 558 CA ARG A 206 2.600 -9.713 -5.167 1.00 0.00 C ATOM 559 C ARG A 206 3.620 -8.582 -5.223 1.00 0.00 C ATOM 560 O ARG A 206 4.410 -8.478 -6.141 1.00 0.00 O ATOM 561 CB ARG A 206 1.242 -9.184 -5.644 1.00 0.00 C ATOM 562 CG ARG A 206 0.250 -10.339 -5.830 1.00 0.00 C ATOM 563 CD ARG A 206 -1.106 -9.784 -6.284 1.00 0.00 C ATOM 564 NE ARG A 206 -0.938 -9.019 -7.556 1.00 0.00 N ATOM 565 CZ ARG A 206 -1.979 -8.714 -8.288 1.00 0.00 C ATOM 566 NH1 ARG A 206 -3.179 -9.082 -7.909 1.00 0.00 N ATOM 567 NH2 ARG A 206 -1.818 -8.053 -9.407 1.00 0.00 N ATOM 0 H ARG A 206 1.585 -10.058 -3.322 1.00 0.00 H new ATOM 0 HA ARG A 206 2.904 -10.541 -5.808 1.00 0.00 H new ATOM 0 HB2 ARG A 206 0.848 -8.472 -4.919 1.00 0.00 H new ATOM 0 HB3 ARG A 206 1.364 -8.647 -6.585 1.00 0.00 H new ATOM 0 HG2 ARG A 206 0.631 -11.044 -6.569 1.00 0.00 H new ATOM 0 HG3 ARG A 206 0.135 -10.887 -4.895 1.00 0.00 H new ATOM 0 HD2 ARG A 206 -1.813 -10.600 -6.430 1.00 0.00 H new ATOM 0 HD3 ARG A 206 -1.522 -9.137 -5.512 1.00 0.00 H new ATOM 0 HE ARG A 206 -0.006 -8.733 -7.856 1.00 0.00 H new ATOM 0 HH11 ARG A 206 -3.302 -9.607 -7.043 1.00 0.00 H new ATOM 0 HH12 ARG A 206 -3.990 -8.844 -8.480 1.00 0.00 H new ATOM 0 HH21 ARG A 206 -0.883 -7.777 -9.706 1.00 0.00 H new ATOM 0 HH22 ARG A 206 -2.628 -7.814 -9.979 1.00 0.00 H new ATOM 581 N LEU A 207 3.600 -7.723 -4.236 1.00 0.00 N ATOM 582 CA LEU A 207 4.558 -6.588 -4.222 1.00 0.00 C ATOM 583 C LEU A 207 5.983 -7.142 -4.195 1.00 0.00 C ATOM 584 O LEU A 207 6.875 -6.617 -4.831 1.00 0.00 O ATOM 585 CB LEU A 207 4.320 -5.699 -2.996 1.00 0.00 C ATOM 586 CG LEU A 207 5.287 -4.501 -3.018 1.00 0.00 C ATOM 587 CD1 LEU A 207 4.962 -3.574 -4.202 1.00 0.00 C ATOM 588 CD2 LEU A 207 5.141 -3.726 -1.711 1.00 0.00 C ATOM 0 H LEU A 207 2.961 -7.762 -3.442 1.00 0.00 H new ATOM 0 HA LEU A 207 4.412 -5.983 -5.117 1.00 0.00 H new ATOM 0 HB2 LEU A 207 3.289 -5.345 -2.988 1.00 0.00 H new ATOM 0 HB3 LEU A 207 4.465 -6.277 -2.084 1.00 0.00 H new ATOM 0 HG LEU A 207 6.309 -4.864 -3.128 1.00 0.00 H new ATOM 0 HD11 LEU A 207 5.654 -2.731 -4.205 1.00 0.00 H new ATOM 0 HD12 LEU A 207 5.061 -4.128 -5.136 1.00 0.00 H new ATOM 0 HD13 LEU A 207 3.941 -3.205 -4.106 1.00 0.00 H new ATOM 0 HD21 LEU A 207 5.821 -2.875 -1.715 1.00 0.00 H new ATOM 0 HD22 LEU A 207 4.115 -3.370 -1.611 1.00 0.00 H new ATOM 0 HD23 LEU A 207 5.382 -4.379 -0.872 1.00 0.00 H new ATOM 600 N GLU A 208 6.219 -8.185 -3.448 1.00 0.00 N ATOM 601 CA GLU A 208 7.597 -8.737 -3.381 1.00 0.00 C ATOM 602 C GLU A 208 8.033 -9.128 -4.790 1.00 0.00 C ATOM 603 O GLU A 208 9.164 -8.909 -5.181 1.00 0.00 O ATOM 604 CB GLU A 208 7.616 -9.969 -2.483 1.00 0.00 C ATOM 605 CG GLU A 208 7.374 -9.557 -1.034 1.00 0.00 C ATOM 606 CD GLU A 208 7.272 -10.815 -0.182 1.00 0.00 C ATOM 607 OE1 GLU A 208 7.367 -11.897 -0.744 1.00 0.00 O ATOM 608 OE2 GLU A 208 7.091 -10.681 1.012 1.00 0.00 O ATOM 0 H GLU A 208 5.522 -8.674 -2.886 1.00 0.00 H new ATOM 0 HA GLU A 208 8.276 -7.989 -2.971 1.00 0.00 H new ATOM 0 HB2 GLU A 208 6.850 -10.675 -2.803 1.00 0.00 H new ATOM 0 HB3 GLU A 208 8.575 -10.479 -2.570 1.00 0.00 H new ATOM 0 HG2 GLU A 208 8.188 -8.925 -0.679 1.00 0.00 H new ATOM 0 HG3 GLU A 208 6.458 -8.971 -0.955 1.00 0.00 H new ATOM 615 N LEU A 209 7.151 -9.697 -5.559 1.00 0.00 N ATOM 616 CA LEU A 209 7.530 -10.075 -6.944 1.00 0.00 C ATOM 617 C LEU A 209 7.950 -8.804 -7.684 1.00 0.00 C ATOM 618 O LEU A 209 8.970 -8.762 -8.347 1.00 0.00 O ATOM 619 CB LEU A 209 6.330 -10.713 -7.642 1.00 0.00 C ATOM 620 CG LEU A 209 6.704 -11.121 -9.072 1.00 0.00 C ATOM 621 CD1 LEU A 209 7.841 -12.157 -9.061 1.00 0.00 C ATOM 622 CD2 LEU A 209 5.465 -11.711 -9.756 1.00 0.00 C ATOM 0 H LEU A 209 6.191 -9.915 -5.291 1.00 0.00 H new ATOM 0 HA LEU A 209 8.352 -10.791 -6.936 1.00 0.00 H new ATOM 0 HB2 LEU A 209 5.997 -11.587 -7.082 1.00 0.00 H new ATOM 0 HB3 LEU A 209 5.497 -10.011 -7.663 1.00 0.00 H new ATOM 0 HG LEU A 209 7.050 -10.244 -9.619 1.00 0.00 H new ATOM 0 HD11 LEU A 209 8.091 -12.433 -10.085 1.00 0.00 H new ATOM 0 HD12 LEU A 209 8.718 -11.729 -8.576 1.00 0.00 H new ATOM 0 HD13 LEU A 209 7.520 -13.044 -8.514 1.00 0.00 H new ATOM 0 HD21 LEU A 209 5.717 -12.006 -10.775 1.00 0.00 H new ATOM 0 HD22 LEU A 209 5.123 -12.584 -9.200 1.00 0.00 H new ATOM 0 HD23 LEU A 209 4.672 -10.963 -9.780 1.00 0.00 H new ATOM 634 N ALA A 210 7.171 -7.759 -7.548 1.00 0.00 N ATOM 635 CA ALA A 210 7.512 -6.460 -8.210 1.00 0.00 C ATOM 636 C ALA A 210 8.856 -5.964 -7.668 1.00 0.00 C ATOM 637 O ALA A 210 9.694 -5.476 -8.401 1.00 0.00 O ATOM 638 CB ALA A 210 6.416 -5.430 -7.900 1.00 0.00 C ATOM 0 H ALA A 210 6.308 -7.750 -7.004 1.00 0.00 H new ATOM 0 HA ALA A 210 7.581 -6.597 -9.289 1.00 0.00 H new ATOM 0 HB1 ALA A 210 6.661 -4.483 -8.380 1.00 0.00 H new ATOM 0 HB2 ALA A 210 5.460 -5.792 -8.277 1.00 0.00 H new ATOM 0 HB3 ALA A 210 6.349 -5.284 -6.822 1.00 0.00 H new ATOM 644 N ALA A 211 9.063 -6.098 -6.388 1.00 0.00 N ATOM 645 CA ALA A 211 10.345 -5.651 -5.770 1.00 0.00 C ATOM 646 C ALA A 211 11.531 -6.372 -6.401 1.00 0.00 C ATOM 647 O ALA A 211 12.572 -5.789 -6.618 1.00 0.00 O ATOM 648 CB ALA A 211 10.326 -5.975 -4.280 1.00 0.00 C ATOM 0 H ALA A 211 8.392 -6.503 -5.735 1.00 0.00 H new ATOM 0 HA ALA A 211 10.447 -4.578 -5.932 1.00 0.00 H new ATOM 0 HB1 ALA A 211 11.262 -5.650 -3.825 1.00 0.00 H new ATOM 0 HB2 ALA A 211 9.492 -5.457 -3.806 1.00 0.00 H new ATOM 0 HB3 ALA A 211 10.210 -7.050 -4.143 1.00 0.00 H new ATOM 654 N ARG A 212 11.397 -7.637 -6.682 1.00 0.00 N ATOM 655 CA ARG A 212 12.533 -8.380 -7.283 1.00 0.00 C ATOM 656 C ARG A 212 12.754 -7.891 -8.719 1.00 0.00 C ATOM 657 O ARG A 212 13.872 -7.739 -9.175 1.00 0.00 O ATOM 658 CB ARG A 212 12.205 -9.878 -7.287 1.00 0.00 C ATOM 659 CG ARG A 212 12.224 -10.412 -5.848 1.00 0.00 C ATOM 660 CD ARG A 212 11.892 -11.907 -5.856 1.00 0.00 C ATOM 661 NE ARG A 212 11.652 -12.385 -4.454 1.00 0.00 N ATOM 662 CZ ARG A 212 12.545 -12.237 -3.512 1.00 0.00 C ATOM 663 NH1 ARG A 212 13.765 -11.872 -3.806 1.00 0.00 N ATOM 664 NH2 ARG A 212 12.225 -12.523 -2.273 1.00 0.00 N ATOM 0 H ARG A 212 10.552 -8.185 -6.521 1.00 0.00 H new ATOM 0 HA ARG A 212 13.440 -8.209 -6.703 1.00 0.00 H new ATOM 0 HB2 ARG A 212 11.225 -10.045 -7.735 1.00 0.00 H new ATOM 0 HB3 ARG A 212 12.930 -10.418 -7.896 1.00 0.00 H new ATOM 0 HG2 ARG A 212 13.204 -10.248 -5.401 1.00 0.00 H new ATOM 0 HG3 ARG A 212 11.501 -9.871 -5.238 1.00 0.00 H new ATOM 0 HD2 ARG A 212 11.008 -12.089 -6.468 1.00 0.00 H new ATOM 0 HD3 ARG A 212 12.712 -12.468 -6.305 1.00 0.00 H new ATOM 0 HE ARG A 212 10.766 -12.838 -4.230 1.00 0.00 H new ATOM 0 HH11 ARG A 212 14.026 -11.700 -4.777 1.00 0.00 H new ATOM 0 HH12 ARG A 212 14.456 -11.759 -3.064 1.00 0.00 H new ATOM 0 HH21 ARG A 212 11.287 -12.857 -2.053 1.00 0.00 H new ATOM 0 HH22 ARG A 212 12.914 -12.411 -1.529 1.00 0.00 H new ATOM 678 N GLU A 213 11.689 -7.646 -9.438 1.00 0.00 N ATOM 679 CA GLU A 213 11.821 -7.172 -10.846 1.00 0.00 C ATOM 680 C GLU A 213 12.504 -5.807 -10.869 1.00 0.00 C ATOM 681 O GLU A 213 13.395 -5.559 -11.654 1.00 0.00 O ATOM 682 CB GLU A 213 10.425 -7.063 -11.465 1.00 0.00 C ATOM 683 CG GLU A 213 10.534 -6.577 -12.916 1.00 0.00 C ATOM 684 CD GLU A 213 9.148 -6.627 -13.557 1.00 0.00 C ATOM 685 OE1 GLU A 213 8.361 -7.461 -13.141 1.00 0.00 O ATOM 686 OE2 GLU A 213 8.895 -5.838 -14.451 1.00 0.00 O ATOM 0 H GLU A 213 10.730 -7.755 -9.108 1.00 0.00 H new ATOM 0 HA GLU A 213 12.424 -7.878 -11.418 1.00 0.00 H new ATOM 0 HB2 GLU A 213 9.927 -8.032 -11.433 1.00 0.00 H new ATOM 0 HB3 GLU A 213 9.814 -6.371 -10.885 1.00 0.00 H new ATOM 0 HG2 GLU A 213 10.927 -5.561 -12.945 1.00 0.00 H new ATOM 0 HG3 GLU A 213 11.230 -7.204 -13.473 1.00 0.00 H new ATOM 693 N HIS A 214 12.082 -4.917 -10.015 1.00 0.00 N ATOM 694 CA HIS A 214 12.687 -3.558 -9.978 1.00 0.00 C ATOM 695 C HIS A 214 13.868 -3.528 -9.001 1.00 0.00 C ATOM 696 O HIS A 214 14.683 -2.628 -9.036 1.00 0.00 O ATOM 697 CB HIS A 214 11.622 -2.554 -9.527 1.00 0.00 C ATOM 698 CG HIS A 214 10.577 -2.406 -10.609 1.00 0.00 C ATOM 699 ND1 HIS A 214 10.744 -1.556 -11.692 1.00 0.00 N ATOM 700 CD2 HIS A 214 9.350 -3.001 -10.788 1.00 0.00 C ATOM 701 CE1 HIS A 214 9.647 -1.667 -12.464 1.00 0.00 C ATOM 702 NE2 HIS A 214 8.768 -2.532 -11.957 1.00 0.00 N ATOM 0 H HIS A 214 11.338 -5.075 -9.336 1.00 0.00 H new ATOM 0 HA HIS A 214 13.050 -3.297 -10.972 1.00 0.00 H new ATOM 0 HB2 HIS A 214 11.157 -2.893 -8.601 1.00 0.00 H new ATOM 0 HB3 HIS A 214 12.083 -1.589 -9.317 1.00 0.00 H new ATOM 0 HD2 HIS A 214 8.906 -3.724 -10.120 1.00 0.00 H new ATOM 0 HE1 HIS A 214 9.497 -1.121 -13.384 1.00 0.00 H new ATOM 0 HE2 HIS A 214 7.862 -2.793 -12.345 1.00 0.00 H new ATOM 710 N GLY A 215 13.974 -4.497 -8.124 1.00 0.00 N ATOM 711 CA GLY A 215 15.105 -4.490 -7.153 1.00 0.00 C ATOM 712 C GLY A 215 14.799 -3.506 -6.014 1.00 0.00 C ATOM 713 O GLY A 215 15.693 -3.024 -5.351 1.00 0.00 O ATOM 0 H GLY A 215 13.331 -5.284 -8.041 1.00 0.00 H new ATOM 0 HA2 GLY A 215 15.259 -5.491 -6.751 1.00 0.00 H new ATOM 0 HA3 GLY A 215 16.028 -4.204 -7.657 1.00 0.00 H new ATOM 717 N TRP A 216 13.545 -3.192 -5.790 1.00 0.00 N ATOM 718 CA TRP A 216 13.194 -2.225 -4.698 1.00 0.00 C ATOM 719 C TRP A 216 13.501 -2.835 -3.315 1.00 0.00 C ATOM 720 O TRP A 216 13.304 -4.009 -3.082 1.00 0.00 O ATOM 721 CB TRP A 216 11.698 -1.890 -4.758 1.00 0.00 C ATOM 722 CG TRP A 216 11.319 -1.196 -6.033 1.00 0.00 C ATOM 723 CD1 TRP A 216 12.053 -0.260 -6.686 1.00 0.00 C ATOM 724 CD2 TRP A 216 10.087 -1.342 -6.791 1.00 0.00 C ATOM 725 NE1 TRP A 216 11.336 0.180 -7.785 1.00 0.00 N ATOM 726 CE2 TRP A 216 10.122 -0.458 -7.893 1.00 0.00 C ATOM 727 CE3 TRP A 216 8.951 -2.149 -6.629 1.00 0.00 C ATOM 728 CZ2 TRP A 216 9.063 -0.370 -8.797 1.00 0.00 C ATOM 729 CZ3 TRP A 216 7.885 -2.064 -7.539 1.00 0.00 C ATOM 730 CH2 TRP A 216 7.941 -1.173 -8.617 1.00 0.00 C ATOM 0 H TRP A 216 12.751 -3.561 -6.313 1.00 0.00 H new ATOM 0 HA TRP A 216 13.789 -1.323 -4.840 1.00 0.00 H new ATOM 0 HB2 TRP A 216 11.119 -2.808 -4.661 1.00 0.00 H new ATOM 0 HB3 TRP A 216 11.436 -1.256 -3.911 1.00 0.00 H new ATOM 0 HD1 TRP A 216 13.035 0.085 -6.396 1.00 0.00 H new ATOM 0 HE1 TRP A 216 11.668 0.891 -8.436 1.00 0.00 H new ATOM 0 HE3 TRP A 216 8.896 -2.839 -5.800 1.00 0.00 H new ATOM 0 HZ2 TRP A 216 9.114 0.316 -9.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 216 7.016 -2.691 -7.406 1.00 0.00 H new ATOM 0 HH2 TRP A 216 7.114 -1.109 -9.309 1.00 0.00 H new ATOM 741 N SER A 217 13.976 -2.035 -2.390 1.00 0.00 N ATOM 742 CA SER A 217 14.288 -2.555 -1.022 1.00 0.00 C ATOM 743 C SER A 217 13.046 -2.448 -0.130 1.00 0.00 C ATOM 744 O SER A 217 12.843 -1.448 0.524 1.00 0.00 O ATOM 745 CB SER A 217 15.387 -1.683 -0.419 1.00 0.00 C ATOM 746 OG SER A 217 15.752 -2.192 0.851 1.00 0.00 O ATOM 0 H SER A 217 14.161 -1.041 -2.525 1.00 0.00 H new ATOM 0 HA SER A 217 14.603 -3.596 -1.088 1.00 0.00 H new ATOM 0 HB2 SER A 217 16.255 -1.666 -1.078 1.00 0.00 H new ATOM 0 HB3 SER A 217 15.038 -0.655 -0.324 1.00 0.00 H new ATOM 0 HG SER A 217 16.458 -1.633 1.237 1.00 0.00 H new ATOM 752 N ILE A 218 12.204 -3.446 -0.086 1.00 0.00 N ATOM 753 CA ILE A 218 10.983 -3.324 0.776 1.00 0.00 C ATOM 754 C ILE A 218 11.351 -3.540 2.256 1.00 0.00 C ATOM 755 O ILE A 218 12.100 -4.448 2.574 1.00 0.00 O ATOM 756 CB ILE A 218 9.954 -4.382 0.353 1.00 0.00 C ATOM 757 CG1 ILE A 218 10.364 -5.774 0.891 1.00 0.00 C ATOM 758 CG2 ILE A 218 9.876 -4.396 -1.178 1.00 0.00 C ATOM 759 CD1 ILE A 218 9.572 -6.869 0.177 1.00 0.00 C ATOM 0 H ILE A 218 12.301 -4.324 -0.596 1.00 0.00 H new ATOM 0 HA ILE A 218 10.563 -2.325 0.655 1.00 0.00 H new ATOM 0 HB ILE A 218 8.976 -4.139 0.768 1.00 0.00 H new ATOM 0 HG12 ILE A 218 11.432 -5.930 0.740 1.00 0.00 H new ATOM 0 HG13 ILE A 218 10.183 -5.825 1.965 1.00 0.00 H new ATOM 0 HG21 ILE A 218 9.149 -5.142 -1.498 1.00 0.00 H new ATOM 0 HG22 ILE A 218 9.569 -3.413 -1.536 1.00 0.00 H new ATOM 0 HG23 ILE A 218 10.855 -4.642 -1.590 1.00 0.00 H new ATOM 0 HD11 ILE A 218 9.869 -7.844 0.564 1.00 0.00 H new ATOM 0 HD12 ILE A 218 8.506 -6.719 0.350 1.00 0.00 H new ATOM 0 HD13 ILE A 218 9.775 -6.826 -0.893 1.00 0.00 H new ATOM 771 N PRO A 219 10.808 -2.753 3.167 1.00 0.00 N ATOM 772 CA PRO A 219 11.076 -2.925 4.619 1.00 0.00 C ATOM 773 C PRO A 219 10.201 -4.046 5.182 1.00 0.00 C ATOM 774 O PRO A 219 9.404 -4.616 4.470 1.00 0.00 O ATOM 775 CB PRO A 219 10.680 -1.574 5.212 1.00 0.00 C ATOM 776 CG PRO A 219 9.555 -1.112 4.347 1.00 0.00 C ATOM 777 CD PRO A 219 9.884 -1.615 2.934 1.00 0.00 C ATOM 0 HA PRO A 219 12.107 -3.197 4.844 1.00 0.00 H new ATOM 0 HB2 PRO A 219 10.369 -1.671 6.252 1.00 0.00 H new ATOM 0 HB3 PRO A 219 11.513 -0.871 5.192 1.00 0.00 H new ATOM 0 HG2 PRO A 219 8.603 -1.514 4.694 1.00 0.00 H new ATOM 0 HG3 PRO A 219 9.467 -0.026 4.365 1.00 0.00 H new ATOM 0 HD2 PRO A 219 8.986 -1.932 2.403 1.00 0.00 H new ATOM 0 HD3 PRO A 219 10.353 -0.837 2.332 1.00 0.00 H new ATOM 785 N SER A 220 10.336 -4.371 6.434 1.00 0.00 N ATOM 786 CA SER A 220 9.502 -5.468 7.007 1.00 0.00 C ATOM 787 C SER A 220 8.016 -5.116 6.878 1.00 0.00 C ATOM 788 O SER A 220 7.622 -3.983 7.053 1.00 0.00 O ATOM 789 CB SER A 220 9.850 -5.646 8.484 1.00 0.00 C ATOM 790 OG SER A 220 9.632 -4.418 9.165 1.00 0.00 O ATOM 0 H SER A 220 10.984 -3.929 7.086 1.00 0.00 H new ATOM 0 HA SER A 220 9.701 -6.392 6.464 1.00 0.00 H new ATOM 0 HB2 SER A 220 9.237 -6.433 8.923 1.00 0.00 H new ATOM 0 HB3 SER A 220 10.890 -5.956 8.591 1.00 0.00 H new ATOM 0 HG SER A 220 9.852 -4.527 10.114 1.00 0.00 H new ATOM 796 N ARG A 221 7.187 -6.078 6.571 1.00 0.00 N ATOM 797 CA ARG A 221 5.723 -5.795 6.432 1.00 0.00 C ATOM 798 C ARG A 221 5.250 -4.929 7.609 1.00 0.00 C ATOM 799 O ARG A 221 4.307 -4.170 7.499 1.00 0.00 O ATOM 800 CB ARG A 221 4.950 -7.124 6.440 1.00 0.00 C ATOM 801 CG ARG A 221 5.659 -8.175 5.543 1.00 0.00 C ATOM 802 CD ARG A 221 6.580 -9.071 6.395 1.00 0.00 C ATOM 803 NE ARG A 221 7.729 -9.566 5.569 1.00 0.00 N ATOM 804 CZ ARG A 221 7.539 -10.141 4.413 1.00 0.00 C ATOM 805 NH1 ARG A 221 6.334 -10.465 4.017 1.00 0.00 N ATOM 806 NH2 ARG A 221 8.573 -10.437 3.673 1.00 0.00 N ATOM 0 H ARG A 221 7.457 -7.048 6.410 1.00 0.00 H new ATOM 0 HA ARG A 221 5.542 -5.265 5.497 1.00 0.00 H new ATOM 0 HB2 ARG A 221 4.874 -7.501 7.460 1.00 0.00 H new ATOM 0 HB3 ARG A 221 3.933 -6.961 6.084 1.00 0.00 H new ATOM 0 HG2 ARG A 221 4.916 -8.787 5.032 1.00 0.00 H new ATOM 0 HG3 ARG A 221 6.242 -7.671 4.772 1.00 0.00 H new ATOM 0 HD2 ARG A 221 6.954 -8.510 7.252 1.00 0.00 H new ATOM 0 HD3 ARG A 221 6.015 -9.916 6.789 1.00 0.00 H new ATOM 0 HE ARG A 221 8.680 -9.451 5.918 1.00 0.00 H new ATOM 0 HH11 ARG A 221 5.531 -10.268 4.614 1.00 0.00 H new ATOM 0 HH12 ARG A 221 6.198 -10.914 3.111 1.00 0.00 H new ATOM 0 HH21 ARG A 221 9.514 -10.219 4.001 1.00 0.00 H new ATOM 0 HH22 ARG A 221 8.440 -10.887 2.767 1.00 0.00 H new ATOM 820 N ALA A 222 5.899 -5.048 8.737 1.00 0.00 N ATOM 821 CA ALA A 222 5.503 -4.246 9.933 1.00 0.00 C ATOM 822 C ALA A 222 5.610 -2.746 9.630 1.00 0.00 C ATOM 823 O ALA A 222 4.777 -1.963 10.038 1.00 0.00 O ATOM 824 CB ALA A 222 6.438 -4.597 11.090 1.00 0.00 C ATOM 0 H ALA A 222 6.693 -5.671 8.883 1.00 0.00 H new ATOM 0 HA ALA A 222 4.471 -4.476 10.196 1.00 0.00 H new ATOM 0 HB1 ALA A 222 6.160 -4.018 11.971 1.00 0.00 H new ATOM 0 HB2 ALA A 222 6.356 -5.661 11.314 1.00 0.00 H new ATOM 0 HB3 ALA A 222 7.465 -4.363 10.811 1.00 0.00 H new ATOM 830 N THR A 223 6.633 -2.336 8.930 1.00 0.00 N ATOM 831 CA THR A 223 6.785 -0.885 8.622 1.00 0.00 C ATOM 832 C THR A 223 5.678 -0.416 7.674 1.00 0.00 C ATOM 833 O THR A 223 5.147 0.665 7.819 1.00 0.00 O ATOM 834 CB THR A 223 8.141 -0.657 7.955 1.00 0.00 C ATOM 835 OG1 THR A 223 9.180 -1.071 8.836 1.00 0.00 O ATOM 836 CG2 THR A 223 8.300 0.831 7.629 1.00 0.00 C ATOM 0 H THR A 223 7.367 -2.940 8.560 1.00 0.00 H new ATOM 0 HA THR A 223 6.717 -0.319 9.551 1.00 0.00 H new ATOM 0 HB THR A 223 8.200 -1.238 7.035 1.00 0.00 H new ATOM 0 HG1 THR A 223 10.049 -0.926 8.407 1.00 0.00 H new ATOM 0 HG21 THR A 223 9.266 0.998 7.153 1.00 0.00 H new ATOM 0 HG22 THR A 223 7.504 1.142 6.953 1.00 0.00 H new ATOM 0 HG23 THR A 223 8.243 1.413 8.549 1.00 0.00 H new ATOM 844 N ALA A 224 5.336 -1.210 6.696 1.00 0.00 N ATOM 845 CA ALA A 224 4.276 -0.796 5.728 1.00 0.00 C ATOM 846 C ALA A 224 2.910 -0.677 6.423 1.00 0.00 C ATOM 847 O ALA A 224 2.271 0.351 6.377 1.00 0.00 O ATOM 848 CB ALA A 224 4.180 -1.838 4.617 1.00 0.00 C ATOM 0 H ALA A 224 5.744 -2.129 6.524 1.00 0.00 H new ATOM 0 HA ALA A 224 4.543 0.178 5.317 1.00 0.00 H new ATOM 0 HB1 ALA A 224 3.408 -1.542 3.907 1.00 0.00 H new ATOM 0 HB2 ALA A 224 5.138 -1.911 4.102 1.00 0.00 H new ATOM 0 HB3 ALA A 224 3.925 -2.806 5.047 1.00 0.00 H new ATOM 854 N PHE A 225 2.444 -1.718 7.044 1.00 0.00 N ATOM 855 CA PHE A 225 1.112 -1.653 7.717 1.00 0.00 C ATOM 856 C PHE A 225 1.092 -0.565 8.793 1.00 0.00 C ATOM 857 O PHE A 225 0.113 0.138 8.954 1.00 0.00 O ATOM 858 CB PHE A 225 0.791 -3.003 8.343 1.00 0.00 C ATOM 859 CG PHE A 225 -0.542 -2.928 9.051 1.00 0.00 C ATOM 860 CD1 PHE A 225 -1.707 -2.660 8.321 1.00 0.00 C ATOM 861 CD2 PHE A 225 -0.618 -3.146 10.432 1.00 0.00 C ATOM 862 CE1 PHE A 225 -2.941 -2.604 8.969 1.00 0.00 C ATOM 863 CE2 PHE A 225 -1.851 -3.087 11.081 1.00 0.00 C ATOM 864 CZ PHE A 225 -3.014 -2.815 10.351 1.00 0.00 C ATOM 0 H PHE A 225 2.924 -2.615 7.118 1.00 0.00 H new ATOM 0 HA PHE A 225 0.359 -1.406 6.969 1.00 0.00 H new ATOM 0 HB2 PHE A 225 0.763 -3.775 7.574 1.00 0.00 H new ATOM 0 HB3 PHE A 225 1.574 -3.284 9.048 1.00 0.00 H new ATOM 0 HD1 PHE A 225 -1.650 -2.496 7.255 1.00 0.00 H new ATOM 0 HD2 PHE A 225 0.279 -3.360 10.995 1.00 0.00 H new ATOM 0 HE1 PHE A 225 -3.839 -2.398 8.405 1.00 0.00 H new ATOM 0 HE2 PHE A 225 -1.909 -3.251 12.147 1.00 0.00 H new ATOM 0 HZ PHE A 225 -3.968 -2.768 10.854 1.00 0.00 H new ATOM 874 N ARG A 226 2.145 -0.424 9.547 1.00 0.00 N ATOM 875 CA ARG A 226 2.134 0.617 10.614 1.00 0.00 C ATOM 876 C ARG A 226 1.894 1.981 9.963 1.00 0.00 C ATOM 877 O ARG A 226 1.153 2.797 10.463 1.00 0.00 O ATOM 878 CB ARG A 226 3.482 0.621 11.343 1.00 0.00 C ATOM 879 CG ARG A 226 3.442 1.618 12.505 1.00 0.00 C ATOM 880 CD ARG A 226 4.797 1.610 13.225 1.00 0.00 C ATOM 881 NE ARG A 226 4.699 2.341 14.528 1.00 0.00 N ATOM 882 CZ ARG A 226 5.641 2.195 15.430 1.00 0.00 C ATOM 883 NH1 ARG A 226 6.697 1.472 15.160 1.00 0.00 N ATOM 884 NH2 ARG A 226 5.535 2.784 16.593 1.00 0.00 N ATOM 0 H ARG A 226 3.001 -0.974 9.474 1.00 0.00 H new ATOM 0 HA ARG A 226 1.344 0.405 11.334 1.00 0.00 H new ATOM 0 HB2 ARG A 226 3.706 -0.378 11.717 1.00 0.00 H new ATOM 0 HB3 ARG A 226 4.280 0.888 10.650 1.00 0.00 H new ATOM 0 HG2 ARG A 226 3.220 2.619 12.134 1.00 0.00 H new ATOM 0 HG3 ARG A 226 2.646 1.352 13.200 1.00 0.00 H new ATOM 0 HD2 ARG A 226 5.117 0.583 13.400 1.00 0.00 H new ATOM 0 HD3 ARG A 226 5.554 2.077 12.595 1.00 0.00 H new ATOM 0 HE ARG A 226 3.903 2.951 14.714 1.00 0.00 H new ATOM 0 HH11 ARG A 226 6.788 1.022 14.249 1.00 0.00 H new ATOM 0 HH12 ARG A 226 7.430 1.358 15.860 1.00 0.00 H new ATOM 0 HH21 ARG A 226 4.718 3.359 16.801 1.00 0.00 H new ATOM 0 HH22 ARG A 226 6.269 2.669 17.292 1.00 0.00 H new ATOM 898 N ARG A 227 2.488 2.223 8.835 1.00 0.00 N ATOM 899 CA ARG A 227 2.259 3.521 8.139 1.00 0.00 C ATOM 900 C ARG A 227 0.791 3.588 7.659 1.00 0.00 C ATOM 901 O ARG A 227 0.168 4.630 7.681 1.00 0.00 O ATOM 902 CB ARG A 227 3.208 3.631 6.937 1.00 0.00 C ATOM 903 CG ARG A 227 4.653 3.812 7.422 1.00 0.00 C ATOM 904 CD ARG A 227 5.607 3.910 6.224 1.00 0.00 C ATOM 905 NE ARG A 227 5.690 2.590 5.528 1.00 0.00 N ATOM 906 CZ ARG A 227 6.182 2.516 4.320 1.00 0.00 C ATOM 907 NH1 ARG A 227 6.540 3.598 3.688 1.00 0.00 N ATOM 908 NH2 ARG A 227 6.285 1.364 3.732 1.00 0.00 N ATOM 0 H ARG A 227 3.123 1.581 8.361 1.00 0.00 H new ATOM 0 HA ARG A 227 2.453 4.347 8.823 1.00 0.00 H new ATOM 0 HB2 ARG A 227 3.132 2.735 6.321 1.00 0.00 H new ATOM 0 HB3 ARG A 227 2.918 4.474 6.310 1.00 0.00 H new ATOM 0 HG2 ARG A 227 4.729 4.713 8.031 1.00 0.00 H new ATOM 0 HG3 ARG A 227 4.939 2.973 8.056 1.00 0.00 H new ATOM 0 HD2 ARG A 227 5.256 4.675 5.531 1.00 0.00 H new ATOM 0 HD3 ARG A 227 6.597 4.216 6.561 1.00 0.00 H new ATOM 0 HE ARG A 227 5.362 1.746 5.997 1.00 0.00 H new ATOM 0 HH11 ARG A 227 6.437 4.508 4.136 1.00 0.00 H new ATOM 0 HH12 ARG A 227 6.924 3.535 2.745 1.00 0.00 H new ATOM 0 HH21 ARG A 227 5.982 0.517 4.213 1.00 0.00 H new ATOM 0 HH22 ARG A 227 6.669 1.305 2.789 1.00 0.00 H new ATOM 922 N ILE A 228 0.244 2.482 7.206 1.00 0.00 N ATOM 923 CA ILE A 228 -1.171 2.483 6.700 1.00 0.00 C ATOM 924 C ILE A 228 -2.137 2.844 7.828 1.00 0.00 C ATOM 925 O ILE A 228 -3.106 3.552 7.622 1.00 0.00 O ATOM 926 CB ILE A 228 -1.553 1.092 6.173 1.00 0.00 C ATOM 927 CG1 ILE A 228 -0.600 0.683 5.024 1.00 0.00 C ATOM 928 CG2 ILE A 228 -3.020 1.126 5.689 1.00 0.00 C ATOM 929 CD1 ILE A 228 -1.058 1.260 3.684 1.00 0.00 C ATOM 0 H ILE A 228 0.715 1.578 7.164 1.00 0.00 H new ATOM 0 HA ILE A 228 -1.238 3.218 5.898 1.00 0.00 H new ATOM 0 HB ILE A 228 -1.458 0.352 6.968 1.00 0.00 H new ATOM 0 HG12 ILE A 228 0.409 1.031 5.245 1.00 0.00 H new ATOM 0 HG13 ILE A 228 -0.555 -0.404 4.957 1.00 0.00 H new ATOM 0 HG21 ILE A 228 -3.302 0.143 5.312 1.00 0.00 H new ATOM 0 HG22 ILE A 228 -3.671 1.397 6.520 1.00 0.00 H new ATOM 0 HG23 ILE A 228 -3.123 1.863 4.892 1.00 0.00 H new ATOM 0 HD11 ILE A 228 -0.366 0.953 2.900 1.00 0.00 H new ATOM 0 HD12 ILE A 228 -2.057 0.891 3.451 1.00 0.00 H new ATOM 0 HD13 ILE A 228 -1.078 2.348 3.744 1.00 0.00 H new ATOM 941 N GLN A 229 -1.898 2.342 9.005 1.00 0.00 N ATOM 942 CA GLN A 229 -2.810 2.625 10.145 1.00 0.00 C ATOM 943 C GLN A 229 -2.777 4.118 10.471 1.00 0.00 C ATOM 944 O GLN A 229 -3.727 4.663 11.001 1.00 0.00 O ATOM 945 CB GLN A 229 -2.357 1.818 11.368 1.00 0.00 C ATOM 946 CG GLN A 229 -2.626 0.328 11.141 1.00 0.00 C ATOM 947 CD GLN A 229 -4.133 0.086 11.104 1.00 0.00 C ATOM 948 OE1 GLN A 229 -4.643 -0.521 10.181 1.00 0.00 O ATOM 949 NE2 GLN A 229 -4.873 0.546 12.075 1.00 0.00 N ATOM 0 H GLN A 229 -1.103 1.743 9.228 1.00 0.00 H new ATOM 0 HA GLN A 229 -3.828 2.340 9.878 1.00 0.00 H new ATOM 0 HB2 GLN A 229 -1.294 1.981 11.548 1.00 0.00 H new ATOM 0 HB3 GLN A 229 -2.887 2.160 12.257 1.00 0.00 H new ATOM 0 HG2 GLN A 229 -2.171 0.003 10.205 1.00 0.00 H new ATOM 0 HG3 GLN A 229 -2.171 -0.261 11.938 1.00 0.00 H new ATOM 0 HE21 GLN A 229 -4.443 1.054 12.847 1.00 0.00 H new ATOM 0 HE22 GLN A 229 -5.882 0.397 12.062 1.00 0.00 H new ATOM 958 N GLN A 230 -1.703 4.791 10.159 1.00 0.00 N ATOM 959 CA GLN A 230 -1.638 6.253 10.453 1.00 0.00 C ATOM 960 C GLN A 230 -2.501 7.003 9.429 1.00 0.00 C ATOM 961 O GLN A 230 -2.847 8.154 9.616 1.00 0.00 O ATOM 962 CB GLN A 230 -0.188 6.748 10.365 1.00 0.00 C ATOM 963 CG GLN A 230 0.628 6.190 11.533 1.00 0.00 C ATOM 964 CD GLN A 230 0.180 6.839 12.854 1.00 0.00 C ATOM 965 OE1 GLN A 230 0.043 8.044 12.941 1.00 0.00 O ATOM 966 NE2 GLN A 230 -0.052 6.084 13.897 1.00 0.00 N ATOM 0 H GLN A 230 -0.873 4.396 9.717 1.00 0.00 H new ATOM 0 HA GLN A 230 -2.009 6.437 11.461 1.00 0.00 H new ATOM 0 HB2 GLN A 230 0.255 6.435 9.419 1.00 0.00 H new ATOM 0 HB3 GLN A 230 -0.165 7.838 10.383 1.00 0.00 H new ATOM 0 HG2 GLN A 230 0.502 5.109 11.590 1.00 0.00 H new ATOM 0 HG3 GLN A 230 1.689 6.379 11.368 1.00 0.00 H new ATOM 0 HE21 GLN A 230 0.061 5.073 13.830 1.00 0.00 H new ATOM 0 HE22 GLN A 230 -0.346 6.507 14.777 1.00 0.00 H new ATOM 975 N LEU A 231 -2.879 6.353 8.353 1.00 0.00 N ATOM 976 CA LEU A 231 -3.745 7.037 7.345 1.00 0.00 C ATOM 977 C LEU A 231 -5.129 7.251 7.978 1.00 0.00 C ATOM 978 O LEU A 231 -5.840 8.160 7.608 1.00 0.00 O ATOM 979 CB LEU A 231 -3.856 6.194 6.063 1.00 0.00 C ATOM 980 CG LEU A 231 -2.484 6.093 5.359 1.00 0.00 C ATOM 981 CD1 LEU A 231 -2.627 5.229 4.095 1.00 0.00 C ATOM 982 CD2 LEU A 231 -1.989 7.492 4.958 1.00 0.00 C ATOM 0 H LEU A 231 -2.628 5.389 8.132 1.00 0.00 H new ATOM 0 HA LEU A 231 -3.310 7.996 7.065 1.00 0.00 H new ATOM 0 HB2 LEU A 231 -4.220 5.196 6.308 1.00 0.00 H new ATOM 0 HB3 LEU A 231 -4.585 6.642 5.388 1.00 0.00 H new ATOM 0 HG LEU A 231 -1.765 5.642 6.043 1.00 0.00 H new ATOM 0 HD11 LEU A 231 -1.662 5.154 3.594 1.00 0.00 H new ATOM 0 HD12 LEU A 231 -2.970 4.232 4.372 1.00 0.00 H new ATOM 0 HD13 LEU A 231 -3.351 5.687 3.421 1.00 0.00 H new ATOM 0 HD21 LEU A 231 -1.022 7.408 4.463 1.00 0.00 H new ATOM 0 HD22 LEU A 231 -2.706 7.950 4.277 1.00 0.00 H new ATOM 0 HD23 LEU A 231 -1.888 8.111 5.849 1.00 0.00 H new ATOM 994 N ASP A 232 -5.465 6.425 8.956 1.00 0.00 N ATOM 995 CA ASP A 232 -6.759 6.527 9.722 1.00 0.00 C ATOM 996 C ASP A 232 -7.805 5.525 9.228 1.00 0.00 C ATOM 997 O ASP A 232 -7.765 5.047 8.116 1.00 0.00 O ATOM 998 CB ASP A 232 -7.346 7.942 9.684 1.00 0.00 C ATOM 999 CG ASP A 232 -6.252 8.961 10.033 1.00 0.00 C ATOM 1000 OD1 ASP A 232 -5.448 8.664 10.904 1.00 0.00 O ATOM 1001 OD2 ASP A 232 -6.238 10.022 9.429 1.00 0.00 O ATOM 0 H ASP A 232 -4.869 5.656 9.263 1.00 0.00 H new ATOM 0 HA ASP A 232 -6.508 6.284 10.755 1.00 0.00 H new ATOM 0 HB2 ASP A 232 -7.751 8.152 8.694 1.00 0.00 H new ATOM 0 HB3 ASP A 232 -8.172 8.023 10.390 1.00 0.00 H new ATOM 1006 N GLU A 233 -8.749 5.214 10.076 1.00 0.00 N ATOM 1007 CA GLU A 233 -9.831 4.258 9.706 1.00 0.00 C ATOM 1008 C GLU A 233 -10.620 4.825 8.526 1.00 0.00 C ATOM 1009 O GLU A 233 -11.053 4.099 7.653 1.00 0.00 O ATOM 1010 CB GLU A 233 -10.764 4.044 10.901 1.00 0.00 C ATOM 1011 CG GLU A 233 -11.841 3.019 10.538 1.00 0.00 C ATOM 1012 CD GLU A 233 -12.717 2.740 11.765 1.00 0.00 C ATOM 1013 OE1 GLU A 233 -12.204 2.822 12.870 1.00 0.00 O ATOM 1014 OE2 GLU A 233 -13.887 2.454 11.577 1.00 0.00 O ATOM 0 H GLU A 233 -8.816 5.588 11.023 1.00 0.00 H new ATOM 0 HA GLU A 233 -9.393 3.301 9.424 1.00 0.00 H new ATOM 0 HB2 GLU A 233 -10.193 3.697 11.762 1.00 0.00 H new ATOM 0 HB3 GLU A 233 -11.228 4.988 11.186 1.00 0.00 H new ATOM 0 HG2 GLU A 233 -12.454 3.395 9.718 1.00 0.00 H new ATOM 0 HG3 GLU A 233 -11.377 2.095 10.192 1.00 0.00 H new ATOM 1021 N ALA A 234 -10.810 6.119 8.499 1.00 0.00 N ATOM 1022 CA ALA A 234 -11.568 6.742 7.386 1.00 0.00 C ATOM 1023 C ALA A 234 -10.908 6.350 6.073 1.00 0.00 C ATOM 1024 O ALA A 234 -11.541 6.290 5.039 1.00 0.00 O ATOM 1025 CB ALA A 234 -11.509 8.258 7.551 1.00 0.00 C ATOM 0 H ALA A 234 -10.469 6.770 9.206 1.00 0.00 H new ATOM 0 HA ALA A 234 -12.606 6.409 7.391 1.00 0.00 H new ATOM 0 HB1 ALA A 234 -12.061 8.734 6.741 1.00 0.00 H new ATOM 0 HB2 ALA A 234 -11.953 8.538 8.506 1.00 0.00 H new ATOM 0 HB3 ALA A 234 -10.470 8.587 7.524 1.00 0.00 H new ATOM 1031 N MET A 235 -9.641 6.050 6.110 1.00 0.00 N ATOM 1032 CA MET A 235 -8.946 5.633 4.868 1.00 0.00 C ATOM 1033 C MET A 235 -9.646 4.378 4.354 1.00 0.00 C ATOM 1034 O MET A 235 -9.829 4.194 3.169 1.00 0.00 O ATOM 1035 CB MET A 235 -7.475 5.319 5.179 1.00 0.00 C ATOM 1036 CG MET A 235 -6.720 4.894 3.904 1.00 0.00 C ATOM 1037 SD MET A 235 -5.348 3.800 4.354 1.00 0.00 S ATOM 1038 CE MET A 235 -6.321 2.413 4.992 1.00 0.00 C ATOM 0 H MET A 235 -9.059 6.076 6.947 1.00 0.00 H new ATOM 0 HA MET A 235 -8.978 6.426 4.120 1.00 0.00 H new ATOM 0 HB2 MET A 235 -6.996 6.196 5.614 1.00 0.00 H new ATOM 0 HB3 MET A 235 -7.418 4.523 5.922 1.00 0.00 H new ATOM 0 HG2 MET A 235 -7.398 4.383 3.220 1.00 0.00 H new ATOM 0 HG3 MET A 235 -6.343 5.773 3.382 1.00 0.00 H new ATOM 0 HE1 MET A 235 -5.735 1.496 4.926 1.00 0.00 H new ATOM 0 HE2 MET A 235 -6.584 2.601 6.033 1.00 0.00 H new ATOM 0 HE3 MET A 235 -7.231 2.305 4.402 1.00 0.00 H new ATOM 1048 N VAL A 236 -10.038 3.510 5.238 1.00 0.00 N ATOM 1049 CA VAL A 236 -10.724 2.269 4.790 1.00 0.00 C ATOM 1050 C VAL A 236 -11.991 2.661 4.045 1.00 0.00 C ATOM 1051 O VAL A 236 -12.329 2.095 3.022 1.00 0.00 O ATOM 1052 CB VAL A 236 -11.075 1.418 5.997 1.00 0.00 C ATOM 1053 CG1 VAL A 236 -11.842 0.180 5.537 1.00 0.00 C ATOM 1054 CG2 VAL A 236 -9.789 0.987 6.693 1.00 0.00 C ATOM 0 H VAL A 236 -9.915 3.603 6.246 1.00 0.00 H new ATOM 0 HA VAL A 236 -10.071 1.694 4.133 1.00 0.00 H new ATOM 0 HB VAL A 236 -11.693 1.993 6.687 1.00 0.00 H new ATOM 0 HG11 VAL A 236 -12.095 -0.433 6.402 1.00 0.00 H new ATOM 0 HG12 VAL A 236 -12.756 0.486 5.029 1.00 0.00 H new ATOM 0 HG13 VAL A 236 -11.222 -0.398 4.851 1.00 0.00 H new ATOM 0 HG21 VAL A 236 -10.033 0.375 7.561 1.00 0.00 H new ATOM 0 HG22 VAL A 236 -9.177 0.408 6.001 1.00 0.00 H new ATOM 0 HG23 VAL A 236 -9.236 1.870 7.015 1.00 0.00 H new ATOM 1064 N VAL A 237 -12.679 3.647 4.537 1.00 0.00 N ATOM 1065 CA VAL A 237 -13.906 4.117 3.848 1.00 0.00 C ATOM 1066 C VAL A 237 -13.473 4.766 2.531 1.00 0.00 C ATOM 1067 O VAL A 237 -14.141 4.668 1.524 1.00 0.00 O ATOM 1068 CB VAL A 237 -14.621 5.154 4.717 1.00 0.00 C ATOM 1069 CG1 VAL A 237 -15.797 5.751 3.943 1.00 0.00 C ATOM 1070 CG2 VAL A 237 -15.144 4.494 5.993 1.00 0.00 C ATOM 0 H VAL A 237 -12.443 4.151 5.392 1.00 0.00 H new ATOM 0 HA VAL A 237 -14.587 3.286 3.666 1.00 0.00 H new ATOM 0 HB VAL A 237 -13.915 5.942 4.979 1.00 0.00 H new ATOM 0 HG11 VAL A 237 -16.304 6.489 4.564 1.00 0.00 H new ATOM 0 HG12 VAL A 237 -15.429 6.231 3.036 1.00 0.00 H new ATOM 0 HG13 VAL A 237 -16.497 4.959 3.676 1.00 0.00 H new ATOM 0 HG21 VAL A 237 -15.652 5.239 6.606 1.00 0.00 H new ATOM 0 HG22 VAL A 237 -15.844 3.701 5.732 1.00 0.00 H new ATOM 0 HG23 VAL A 237 -14.309 4.071 6.552 1.00 0.00 H new ATOM 1080 N ALA A 238 -12.346 5.436 2.554 1.00 0.00 N ATOM 1081 CA ALA A 238 -11.821 6.121 1.334 1.00 0.00 C ATOM 1082 C ALA A 238 -11.578 5.099 0.224 1.00 0.00 C ATOM 1083 O ALA A 238 -11.501 5.439 -0.939 1.00 0.00 O ATOM 1084 CB ALA A 238 -10.493 6.799 1.690 1.00 0.00 C ATOM 0 H ALA A 238 -11.759 5.538 3.382 1.00 0.00 H new ATOM 0 HA ALA A 238 -12.546 6.858 0.987 1.00 0.00 H new ATOM 0 HB1 ALA A 238 -10.095 7.304 0.810 1.00 0.00 H new ATOM 0 HB2 ALA A 238 -10.658 7.528 2.484 1.00 0.00 H new ATOM 0 HB3 ALA A 238 -9.780 6.047 2.030 1.00 0.00 H new