USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=7 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 180:sc= 0 USER MOD Set 1.2: A 235 MET CE :methyl -131:sc= -0.803 (180deg=-3.13!) USER MOD Single : A 186 GLN : amide:sc= -0.177 X(o=-0.18,f=-0.33) USER MOD Single : A 197 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 202 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 203 CYS SG : rot -47:sc= -1.87! USER MOD Single : A 204 TYR OH : rot -170:sc= -0.559 USER MOD Single : A 214 HIS : no HD1:sc= -2.23 K(o=-2.2,f=-0.95) 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= -0.139 USER MOD Single : A 229 GLN : amide:sc= -1.69 K(o=-1.7,f=-0.9) USER MOD Single : A 230 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD ----------------------------------------------------------------- ATOM 135 N ASP A 181 12.275 2.712 -1.388 1.00 0.00 N ATOM 136 CA ASP A 181 11.966 3.103 -2.792 1.00 0.00 C ATOM 137 C ASP A 181 10.574 3.729 -2.859 1.00 0.00 C ATOM 138 O ASP A 181 9.584 3.084 -2.583 1.00 0.00 O ATOM 139 CB ASP A 181 11.997 1.847 -3.668 1.00 0.00 C ATOM 140 CG ASP A 181 13.435 1.339 -3.801 1.00 0.00 C ATOM 141 OD1 ASP A 181 13.897 0.696 -2.878 1.00 0.00 O ATOM 142 OD2 ASP A 181 14.053 1.603 -4.824 1.00 0.00 O ATOM 0 HA ASP A 181 12.701 3.827 -3.143 1.00 0.00 H new ATOM 0 HB2 ASP A 181 11.368 1.072 -3.230 1.00 0.00 H new ATOM 0 HB3 ASP A 181 11.589 2.070 -4.654 1.00 0.00 H new ATOM 147 N GLU A 182 10.496 4.978 -3.224 1.00 0.00 N ATOM 148 CA GLU A 182 9.165 5.641 -3.329 1.00 0.00 C ATOM 149 C GLU A 182 8.283 4.920 -4.365 1.00 0.00 C ATOM 150 O GLU A 182 7.099 4.763 -4.165 1.00 0.00 O ATOM 151 CB GLU A 182 9.364 7.102 -3.754 1.00 0.00 C ATOM 152 CG GLU A 182 8.013 7.807 -3.809 1.00 0.00 C ATOM 153 CD GLU A 182 8.224 9.303 -4.063 1.00 0.00 C ATOM 154 OE1 GLU A 182 9.359 9.734 -3.992 1.00 0.00 O ATOM 155 OE2 GLU A 182 7.246 9.990 -4.321 1.00 0.00 O ATOM 0 H GLU A 182 11.295 5.569 -3.454 1.00 0.00 H new ATOM 0 HA GLU A 182 8.669 5.598 -2.359 1.00 0.00 H new ATOM 0 HB2 GLU A 182 10.022 7.610 -3.049 1.00 0.00 H new ATOM 0 HB3 GLU A 182 9.848 7.145 -4.730 1.00 0.00 H new ATOM 0 HG2 GLU A 182 7.399 7.377 -4.600 1.00 0.00 H new ATOM 0 HG3 GLU A 182 7.476 7.659 -2.872 1.00 0.00 H new ATOM 162 N ASP A 183 8.828 4.499 -5.474 1.00 0.00 N ATOM 163 CA ASP A 183 7.991 3.817 -6.503 1.00 0.00 C ATOM 164 C ASP A 183 7.334 2.564 -5.908 1.00 0.00 C ATOM 165 O ASP A 183 6.195 2.252 -6.202 1.00 0.00 O ATOM 166 CB ASP A 183 8.873 3.440 -7.691 1.00 0.00 C ATOM 167 CG ASP A 183 9.283 4.713 -8.441 1.00 0.00 C ATOM 168 OD1 ASP A 183 8.405 5.398 -8.952 1.00 0.00 O ATOM 169 OD2 ASP A 183 10.468 4.979 -8.500 1.00 0.00 O ATOM 0 H ASP A 183 9.815 4.597 -5.712 1.00 0.00 H new ATOM 0 HA ASP A 183 7.201 4.490 -6.836 1.00 0.00 H new ATOM 0 HB2 ASP A 183 9.758 2.906 -7.346 1.00 0.00 H new ATOM 0 HB3 ASP A 183 8.335 2.768 -8.359 1.00 0.00 H new ATOM 174 N ALA A 184 8.040 1.833 -5.085 1.00 0.00 N ATOM 175 CA ALA A 184 7.429 0.615 -4.492 1.00 0.00 C ATOM 176 C ALA A 184 6.382 1.035 -3.451 1.00 0.00 C ATOM 177 O ALA A 184 5.283 0.521 -3.429 1.00 0.00 O ATOM 178 CB ALA A 184 8.515 -0.238 -3.820 1.00 0.00 C ATOM 0 H ALA A 184 9.001 2.026 -4.803 1.00 0.00 H new ATOM 0 HA ALA A 184 6.952 0.027 -5.276 1.00 0.00 H new ATOM 0 HB1 ALA A 184 8.061 -1.130 -3.387 1.00 0.00 H new ATOM 0 HB2 ALA A 184 9.257 -0.532 -4.562 1.00 0.00 H new ATOM 0 HB3 ALA A 184 8.998 0.342 -3.033 1.00 0.00 H new ATOM 184 N TRP A 185 6.712 1.968 -2.596 1.00 0.00 N ATOM 185 CA TRP A 185 5.730 2.409 -1.563 1.00 0.00 C ATOM 186 C TRP A 185 4.483 2.941 -2.263 1.00 0.00 C ATOM 187 O TRP A 185 3.372 2.574 -1.936 1.00 0.00 O ATOM 188 CB TRP A 185 6.372 3.513 -0.701 1.00 0.00 C ATOM 189 CG TRP A 185 5.385 3.987 0.313 1.00 0.00 C ATOM 190 CD1 TRP A 185 4.843 5.223 0.346 1.00 0.00 C ATOM 191 CD2 TRP A 185 4.815 3.256 1.438 1.00 0.00 C ATOM 192 NE1 TRP A 185 3.970 5.296 1.419 1.00 0.00 N ATOM 193 CE2 TRP A 185 3.919 4.108 2.120 1.00 0.00 C ATOM 194 CE3 TRP A 185 4.989 1.946 1.926 1.00 0.00 C ATOM 195 CZ2 TRP A 185 3.215 3.675 3.250 1.00 0.00 C ATOM 196 CZ3 TRP A 185 4.285 1.502 3.054 1.00 0.00 C ATOM 197 CH2 TRP A 185 3.395 2.362 3.718 1.00 0.00 C ATOM 0 H TRP A 185 7.615 2.441 -2.569 1.00 0.00 H new ATOM 0 HA TRP A 185 5.450 1.574 -0.921 1.00 0.00 H new ATOM 0 HB2 TRP A 185 7.264 3.130 -0.205 1.00 0.00 H new ATOM 0 HB3 TRP A 185 6.690 4.343 -1.331 1.00 0.00 H new ATOM 0 HD1 TRP A 185 5.055 6.022 -0.349 1.00 0.00 H new ATOM 0 HE1 TRP A 185 3.430 6.127 1.662 1.00 0.00 H new ATOM 0 HE3 TRP A 185 5.673 1.276 1.425 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 2.538 4.345 3.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 4.428 0.494 3.414 1.00 0.00 H new ATOM 0 HH2 TRP A 185 2.851 2.016 4.585 1.00 0.00 H new ATOM 208 N GLN A 186 4.646 3.781 -3.236 1.00 0.00 N ATOM 209 CA GLN A 186 3.463 4.313 -3.964 1.00 0.00 C ATOM 210 C GLN A 186 2.701 3.144 -4.599 1.00 0.00 C ATOM 211 O GLN A 186 1.484 3.130 -4.636 1.00 0.00 O ATOM 212 CB GLN A 186 3.928 5.289 -5.049 1.00 0.00 C ATOM 213 CG GLN A 186 4.470 6.554 -4.394 1.00 0.00 C ATOM 214 CD GLN A 186 3.333 7.317 -3.718 1.00 0.00 C ATOM 215 OE1 GLN A 186 2.330 7.610 -4.338 1.00 0.00 O ATOM 216 NE2 GLN A 186 3.453 7.662 -2.467 1.00 0.00 N ATOM 0 H GLN A 186 5.549 4.126 -3.563 1.00 0.00 H new ATOM 0 HA GLN A 186 2.806 4.840 -3.273 1.00 0.00 H new ATOM 0 HB2 GLN A 186 4.699 4.826 -5.664 1.00 0.00 H new ATOM 0 HB3 GLN A 186 3.098 5.536 -5.711 1.00 0.00 H new ATOM 0 HG2 GLN A 186 5.233 6.296 -3.660 1.00 0.00 H new ATOM 0 HG3 GLN A 186 4.949 7.185 -5.143 1.00 0.00 H new ATOM 0 HE21 GLN A 186 4.296 7.415 -1.948 1.00 0.00 H new ATOM 0 HE22 GLN A 186 2.704 8.179 -2.006 1.00 0.00 H new ATOM 225 N PHE A 187 3.422 2.183 -5.123 1.00 0.00 N ATOM 226 CA PHE A 187 2.767 1.020 -5.785 1.00 0.00 C ATOM 227 C PHE A 187 1.843 0.315 -4.786 1.00 0.00 C ATOM 228 O PHE A 187 0.699 0.022 -5.083 1.00 0.00 O ATOM 229 CB PHE A 187 3.861 0.063 -6.281 1.00 0.00 C ATOM 230 CG PHE A 187 3.270 -0.965 -7.215 1.00 0.00 C ATOM 231 CD1 PHE A 187 2.599 -2.082 -6.696 1.00 0.00 C ATOM 232 CD2 PHE A 187 3.408 -0.806 -8.599 1.00 0.00 C ATOM 233 CE1 PHE A 187 2.070 -3.029 -7.565 1.00 0.00 C ATOM 234 CE2 PHE A 187 2.873 -1.762 -9.473 1.00 0.00 C ATOM 235 CZ PHE A 187 2.203 -2.876 -8.953 1.00 0.00 C ATOM 0 H PHE A 187 4.442 2.157 -5.119 1.00 0.00 H new ATOM 0 HA PHE A 187 2.166 1.351 -6.632 1.00 0.00 H new ATOM 0 HB2 PHE A 187 4.641 0.625 -6.794 1.00 0.00 H new ATOM 0 HB3 PHE A 187 4.332 -0.434 -5.433 1.00 0.00 H new ATOM 0 HD1 PHE A 187 2.494 -2.205 -5.628 1.00 0.00 H new ATOM 0 HD2 PHE A 187 3.928 0.055 -8.994 1.00 0.00 H new ATOM 0 HE1 PHE A 187 1.552 -3.890 -7.168 1.00 0.00 H new ATOM 0 HE2 PHE A 187 2.977 -1.640 -10.541 1.00 0.00 H new ATOM 0 HZ PHE A 187 1.789 -3.617 -9.620 1.00 0.00 H new ATOM 245 N LEU A 188 2.327 0.041 -3.601 1.00 0.00 N ATOM 246 CA LEU A 188 1.468 -0.630 -2.573 1.00 0.00 C ATOM 247 C LEU A 188 0.238 0.230 -2.270 1.00 0.00 C ATOM 248 O LEU A 188 -0.885 -0.234 -2.262 1.00 0.00 O ATOM 249 CB LEU A 188 2.285 -0.823 -1.282 1.00 0.00 C ATOM 250 CG LEU A 188 1.443 -1.505 -0.192 1.00 0.00 C ATOM 251 CD1 LEU A 188 1.028 -2.908 -0.648 1.00 0.00 C ATOM 252 CD2 LEU A 188 2.288 -1.598 1.083 1.00 0.00 C ATOM 0 H LEU A 188 3.278 0.252 -3.299 1.00 0.00 H new ATOM 0 HA LEU A 188 1.140 -1.596 -2.956 1.00 0.00 H new ATOM 0 HB2 LEU A 188 3.169 -1.425 -1.494 1.00 0.00 H new ATOM 0 HB3 LEU A 188 2.637 0.144 -0.922 1.00 0.00 H new ATOM 0 HG LEU A 188 0.540 -0.925 -0.002 1.00 0.00 H new ATOM 0 HD11 LEU A 188 0.432 -3.382 0.132 1.00 0.00 H new ATOM 0 HD12 LEU A 188 0.438 -2.834 -1.562 1.00 0.00 H new ATOM 0 HD13 LEU A 188 1.919 -3.507 -0.839 1.00 0.00 H new ATOM 0 HD21 LEU A 188 1.708 -2.080 1.870 1.00 0.00 H new ATOM 0 HD22 LEU A 188 3.185 -2.184 0.883 1.00 0.00 H new ATOM 0 HD23 LEU A 188 2.573 -0.596 1.404 1.00 0.00 H new ATOM 264 N ILE A 189 0.452 1.481 -2.007 1.00 0.00 N ATOM 265 CA ILE A 189 -0.686 2.396 -1.683 1.00 0.00 C ATOM 266 C ILE A 189 -1.677 2.443 -2.846 1.00 0.00 C ATOM 267 O ILE A 189 -2.880 2.431 -2.643 1.00 0.00 O ATOM 268 CB ILE A 189 -0.154 3.810 -1.428 1.00 0.00 C ATOM 269 CG1 ILE A 189 0.821 3.833 -0.243 1.00 0.00 C ATOM 270 CG2 ILE A 189 -1.337 4.752 -1.148 1.00 0.00 C ATOM 271 CD1 ILE A 189 0.158 3.258 1.027 1.00 0.00 C ATOM 0 H ILE A 189 1.372 1.921 -2.000 1.00 0.00 H new ATOM 0 HA ILE A 189 -1.191 2.021 -0.793 1.00 0.00 H new ATOM 0 HB ILE A 189 0.387 4.142 -2.314 1.00 0.00 H new ATOM 0 HG12 ILE A 189 1.711 3.253 -0.488 1.00 0.00 H new ATOM 0 HG13 ILE A 189 1.148 4.856 -0.056 1.00 0.00 H new ATOM 0 HG21 ILE A 189 -0.964 5.760 -0.966 1.00 0.00 H new ATOM 0 HG22 ILE A 189 -2.005 4.762 -2.009 1.00 0.00 H new ATOM 0 HG23 ILE A 189 -1.881 4.402 -0.271 1.00 0.00 H new ATOM 0 HD11 ILE A 189 0.869 3.285 1.853 1.00 0.00 H new ATOM 0 HD12 ILE A 189 -0.718 3.855 1.282 1.00 0.00 H new ATOM 0 HD13 ILE A 189 -0.146 2.227 0.844 1.00 0.00 H new ATOM 283 N ALA A 190 -1.194 2.493 -4.064 1.00 0.00 N ATOM 284 CA ALA A 190 -2.120 2.543 -5.224 1.00 0.00 C ATOM 285 C ALA A 190 -3.002 1.289 -5.238 1.00 0.00 C ATOM 286 O ALA A 190 -4.179 1.361 -5.511 1.00 0.00 O ATOM 287 CB ALA A 190 -1.307 2.619 -6.531 1.00 0.00 C ATOM 0 H ALA A 190 -0.201 2.501 -4.298 1.00 0.00 H new ATOM 0 HA ALA A 190 -2.754 3.426 -5.140 1.00 0.00 H new ATOM 0 HB1 ALA A 190 -1.988 2.656 -7.381 1.00 0.00 H new ATOM 0 HB2 ALA A 190 -0.688 3.516 -6.523 1.00 0.00 H new ATOM 0 HB3 ALA A 190 -0.669 1.739 -6.614 1.00 0.00 H new ATOM 293 N ASP A 191 -2.438 0.143 -4.959 1.00 0.00 N ATOM 294 CA ASP A 191 -3.252 -1.109 -4.970 1.00 0.00 C ATOM 295 C ASP A 191 -4.221 -1.117 -3.784 1.00 0.00 C ATOM 296 O ASP A 191 -5.357 -1.516 -3.897 1.00 0.00 O ATOM 297 CB ASP A 191 -2.316 -2.309 -4.872 1.00 0.00 C ATOM 298 CG ASP A 191 -1.514 -2.420 -6.168 1.00 0.00 C ATOM 299 OD1 ASP A 191 -2.005 -3.052 -7.086 1.00 0.00 O ATOM 300 OD2 ASP A 191 -0.428 -1.864 -6.224 1.00 0.00 O ATOM 0 H ASP A 191 -1.453 0.020 -4.725 1.00 0.00 H new ATOM 0 HA ASP A 191 -3.827 -1.160 -5.895 1.00 0.00 H new ATOM 0 HB2 ASP A 191 -1.644 -2.194 -4.022 1.00 0.00 H new ATOM 0 HB3 ASP A 191 -2.889 -3.221 -4.704 1.00 0.00 H new ATOM 305 N TYR A 192 -3.776 -0.674 -2.648 1.00 0.00 N ATOM 306 CA TYR A 192 -4.662 -0.646 -1.439 1.00 0.00 C ATOM 307 C TYR A 192 -5.892 0.241 -1.694 1.00 0.00 C ATOM 308 O TYR A 192 -6.977 -0.056 -1.250 1.00 0.00 O ATOM 309 CB TYR A 192 -3.876 -0.097 -0.234 1.00 0.00 C ATOM 310 CG TYR A 192 -4.646 -0.352 1.040 1.00 0.00 C ATOM 311 CD1 TYR A 192 -5.716 0.480 1.391 1.00 0.00 C ATOM 312 CD2 TYR A 192 -4.296 -1.425 1.865 1.00 0.00 C ATOM 313 CE1 TYR A 192 -6.436 0.247 2.567 1.00 0.00 C ATOM 314 CE2 TYR A 192 -5.010 -1.663 3.044 1.00 0.00 C ATOM 315 CZ TYR A 192 -6.082 -0.825 3.399 1.00 0.00 C ATOM 316 OH TYR A 192 -6.782 -1.057 4.569 1.00 0.00 O ATOM 0 H TYR A 192 -2.830 -0.325 -2.495 1.00 0.00 H new ATOM 0 HA TYR A 192 -4.997 -1.662 -1.228 1.00 0.00 H new ATOM 0 HB2 TYR A 192 -2.897 -0.573 -0.179 1.00 0.00 H new ATOM 0 HB3 TYR A 192 -3.704 0.972 -0.357 1.00 0.00 H new ATOM 0 HD1 TYR A 192 -5.987 1.306 0.750 1.00 0.00 H new ATOM 0 HD2 TYR A 192 -3.474 -2.070 1.592 1.00 0.00 H new ATOM 0 HE1 TYR A 192 -7.262 0.890 2.833 1.00 0.00 H new ATOM 0 HE2 TYR A 192 -4.738 -2.491 3.682 1.00 0.00 H new ATOM 0 HH TYR A 192 -6.407 -1.839 5.025 1.00 0.00 H new ATOM 326 N LEU A 193 -5.716 1.343 -2.368 1.00 0.00 N ATOM 327 CA LEU A 193 -6.866 2.273 -2.611 1.00 0.00 C ATOM 328 C LEU A 193 -7.760 1.775 -3.769 1.00 0.00 C ATOM 329 O LEU A 193 -8.753 2.402 -4.104 1.00 0.00 O ATOM 330 CB LEU A 193 -6.310 3.653 -2.968 1.00 0.00 C ATOM 331 CG LEU A 193 -5.474 4.200 -1.809 1.00 0.00 C ATOM 332 CD1 LEU A 193 -4.760 5.456 -2.283 1.00 0.00 C ATOM 333 CD2 LEU A 193 -6.376 4.529 -0.599 1.00 0.00 C ATOM 0 H LEU A 193 -4.826 1.645 -2.764 1.00 0.00 H new ATOM 0 HA LEU A 193 -7.474 2.318 -1.707 1.00 0.00 H new ATOM 0 HB2 LEU A 193 -5.698 3.585 -3.868 1.00 0.00 H new ATOM 0 HB3 LEU A 193 -7.129 4.337 -3.190 1.00 0.00 H new ATOM 0 HG LEU A 193 -4.748 3.451 -1.495 1.00 0.00 H new ATOM 0 HD11 LEU A 193 -4.158 5.861 -1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 193 -4.113 5.211 -3.126 1.00 0.00 H new ATOM 0 HD13 LEU A 193 -5.496 6.197 -2.594 1.00 0.00 H new ATOM 0 HD21 LEU A 193 -5.765 4.917 0.216 1.00 0.00 H new ATOM 0 HD22 LEU A 193 -7.113 5.278 -0.888 1.00 0.00 H new ATOM 0 HD23 LEU A 193 -6.888 3.625 -0.270 1.00 0.00 H new ATOM 345 N ARG A 194 -7.436 0.660 -4.377 1.00 0.00 N ATOM 346 CA ARG A 194 -8.290 0.148 -5.488 1.00 0.00 C ATOM 347 C ARG A 194 -9.612 -0.400 -4.905 1.00 0.00 C ATOM 348 O ARG A 194 -9.595 -1.170 -3.959 1.00 0.00 O ATOM 349 CB ARG A 194 -7.552 -0.984 -6.223 1.00 0.00 C ATOM 350 CG ARG A 194 -6.477 -0.393 -7.147 1.00 0.00 C ATOM 351 CD ARG A 194 -7.108 0.292 -8.379 1.00 0.00 C ATOM 352 NE ARG A 194 -6.200 0.112 -9.564 1.00 0.00 N ATOM 353 CZ ARG A 194 -4.910 0.341 -9.480 1.00 0.00 C ATOM 354 NH1 ARG A 194 -4.403 0.933 -8.430 1.00 0.00 N ATOM 355 NH2 ARG A 194 -4.131 0.022 -10.481 1.00 0.00 N ATOM 0 H ARG A 194 -6.622 0.087 -4.152 1.00 0.00 H new ATOM 0 HA ARG A 194 -8.503 0.958 -6.186 1.00 0.00 H new ATOM 0 HB2 ARG A 194 -7.092 -1.659 -5.501 1.00 0.00 H new ATOM 0 HB3 ARG A 194 -8.260 -1.574 -6.805 1.00 0.00 H new ATOM 0 HG2 ARG A 194 -5.877 0.330 -6.594 1.00 0.00 H new ATOM 0 HG3 ARG A 194 -5.802 -1.184 -7.474 1.00 0.00 H new ATOM 0 HD2 ARG A 194 -8.087 -0.139 -8.588 1.00 0.00 H new ATOM 0 HD3 ARG A 194 -7.262 1.353 -8.181 1.00 0.00 H new ATOM 0 HE ARG A 194 -6.595 -0.195 -10.453 1.00 0.00 H new ATOM 0 HH11 ARG A 194 -5.011 1.222 -7.664 1.00 0.00 H new ATOM 0 HH12 ARG A 194 -3.399 1.105 -8.377 1.00 0.00 H new ATOM 0 HH21 ARG A 194 -4.527 -0.402 -11.320 1.00 0.00 H new ATOM 0 HH22 ARG A 194 -3.128 0.197 -10.422 1.00 0.00 H new ATOM 369 N PRO A 195 -10.757 -0.013 -5.447 1.00 0.00 N ATOM 370 CA PRO A 195 -12.083 -0.481 -4.937 1.00 0.00 C ATOM 371 C PRO A 195 -12.076 -1.964 -4.531 1.00 0.00 C ATOM 372 O PRO A 195 -12.558 -2.333 -3.472 1.00 0.00 O ATOM 373 CB PRO A 195 -13.017 -0.255 -6.121 1.00 0.00 C ATOM 374 CG PRO A 195 -12.442 0.916 -6.851 1.00 0.00 C ATOM 375 CD PRO A 195 -10.926 0.905 -6.599 1.00 0.00 C ATOM 0 HA PRO A 195 -12.378 0.052 -4.033 1.00 0.00 H new ATOM 0 HB2 PRO A 195 -13.062 -1.136 -6.762 1.00 0.00 H new ATOM 0 HB3 PRO A 195 -14.034 -0.051 -5.787 1.00 0.00 H new ATOM 0 HG2 PRO A 195 -12.656 0.848 -7.918 1.00 0.00 H new ATOM 0 HG3 PRO A 195 -12.885 1.847 -6.496 1.00 0.00 H new ATOM 0 HD2 PRO A 195 -10.379 0.552 -7.473 1.00 0.00 H new ATOM 0 HD3 PRO A 195 -10.553 1.903 -6.371 1.00 0.00 H new ATOM 383 N GLU A 196 -11.516 -2.807 -5.356 1.00 0.00 N ATOM 384 CA GLU A 196 -11.458 -4.253 -5.009 1.00 0.00 C ATOM 385 C GLU A 196 -10.605 -4.427 -3.751 1.00 0.00 C ATOM 386 O GLU A 196 -10.926 -5.195 -2.866 1.00 0.00 O ATOM 387 CB GLU A 196 -10.821 -5.019 -6.170 1.00 0.00 C ATOM 388 CG GLU A 196 -10.797 -6.513 -5.866 1.00 0.00 C ATOM 389 CD GLU A 196 -10.185 -7.260 -7.056 1.00 0.00 C ATOM 390 OE1 GLU A 196 -9.918 -6.621 -8.058 1.00 0.00 O ATOM 391 OE2 GLU A 196 -9.983 -8.456 -6.939 1.00 0.00 O ATOM 0 H GLU A 196 -11.098 -2.557 -6.252 1.00 0.00 H new ATOM 0 HA GLU A 196 -12.462 -4.637 -4.827 1.00 0.00 H new ATOM 0 HB2 GLU A 196 -11.382 -4.836 -7.087 1.00 0.00 H new ATOM 0 HB3 GLU A 196 -9.806 -4.659 -6.340 1.00 0.00 H new ATOM 0 HG2 GLU A 196 -10.216 -6.703 -4.964 1.00 0.00 H new ATOM 0 HG3 GLU A 196 -11.808 -6.874 -5.676 1.00 0.00 H new ATOM 398 N LYS A 197 -9.534 -3.696 -3.662 1.00 0.00 N ATOM 399 CA LYS A 197 -8.651 -3.788 -2.474 1.00 0.00 C ATOM 400 C LYS A 197 -8.450 -5.248 -2.051 1.00 0.00 C ATOM 401 O LYS A 197 -9.000 -5.691 -1.059 1.00 0.00 O ATOM 402 CB LYS A 197 -9.264 -3.003 -1.308 1.00 0.00 C ATOM 403 CG LYS A 197 -8.272 -2.959 -0.141 1.00 0.00 C ATOM 404 CD LYS A 197 -8.725 -1.913 0.873 1.00 0.00 C ATOM 405 CE LYS A 197 -10.051 -2.333 1.508 1.00 0.00 C ATOM 406 NZ LYS A 197 -10.280 -1.504 2.724 1.00 0.00 N ATOM 0 H LYS A 197 -9.230 -3.030 -4.372 1.00 0.00 H new ATOM 0 HA LYS A 197 -7.682 -3.364 -2.738 1.00 0.00 H new ATOM 0 HB2 LYS A 197 -9.510 -1.990 -1.628 1.00 0.00 H new ATOM 0 HB3 LYS A 197 -10.195 -3.472 -0.990 1.00 0.00 H new ATOM 0 HG2 LYS A 197 -8.209 -3.938 0.334 1.00 0.00 H new ATOM 0 HG3 LYS A 197 -7.274 -2.718 -0.507 1.00 0.00 H new ATOM 0 HD2 LYS A 197 -7.966 -1.792 1.646 1.00 0.00 H new ATOM 0 HD3 LYS A 197 -8.838 -0.946 0.383 1.00 0.00 H new ATOM 0 HE2 LYS A 197 -10.869 -2.199 0.800 1.00 0.00 H new ATOM 0 HE3 LYS A 197 -10.026 -3.391 1.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 197 -11.180 -1.779 3.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 197 -9.502 -1.654 3.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 197 -10.318 -0.500 2.457 1.00 0.00 H new ATOM 420 N PRO A 198 -7.655 -5.978 -2.799 1.00 0.00 N ATOM 421 CA PRO A 198 -7.356 -7.412 -2.501 1.00 0.00 C ATOM 422 C PRO A 198 -6.932 -7.593 -1.040 1.00 0.00 C ATOM 423 O PRO A 198 -6.948 -6.661 -0.260 1.00 0.00 O ATOM 424 CB PRO A 198 -6.193 -7.735 -3.454 1.00 0.00 C ATOM 425 CG PRO A 198 -6.377 -6.802 -4.606 1.00 0.00 C ATOM 426 CD PRO A 198 -6.945 -5.512 -4.009 1.00 0.00 C ATOM 0 HA PRO A 198 -8.218 -8.065 -2.640 1.00 0.00 H new ATOM 0 HB2 PRO A 198 -5.229 -7.580 -2.969 1.00 0.00 H new ATOM 0 HB3 PRO A 198 -6.224 -8.775 -3.778 1.00 0.00 H new ATOM 0 HG2 PRO A 198 -5.430 -6.615 -5.113 1.00 0.00 H new ATOM 0 HG3 PRO A 198 -7.057 -7.223 -5.346 1.00 0.00 H new ATOM 0 HD2 PRO A 198 -6.156 -4.802 -3.763 1.00 0.00 H new ATOM 0 HD3 PRO A 198 -7.620 -5.011 -4.703 1.00 0.00 H new ATOM 434 N ALA A 199 -6.551 -8.774 -0.662 1.00 0.00 N ATOM 435 CA ALA A 199 -6.125 -8.994 0.749 1.00 0.00 C ATOM 436 C ALA A 199 -4.789 -8.278 0.985 1.00 0.00 C ATOM 437 O ALA A 199 -3.926 -8.276 0.137 1.00 0.00 O ATOM 438 CB ALA A 199 -5.970 -10.500 0.997 1.00 0.00 C ATOM 0 H ALA A 199 -6.514 -9.597 -1.263 1.00 0.00 H new ATOM 0 HA ALA A 199 -6.871 -8.594 1.436 1.00 0.00 H new ATOM 0 HB1 ALA A 199 -5.658 -10.669 2.028 1.00 0.00 H new ATOM 0 HB2 ALA A 199 -6.923 -10.998 0.820 1.00 0.00 H new ATOM 0 HB3 ALA A 199 -5.218 -10.905 0.320 1.00 0.00 H new ATOM 444 N PHE A 200 -4.621 -7.664 2.126 1.00 0.00 N ATOM 445 CA PHE A 200 -3.345 -6.946 2.407 1.00 0.00 C ATOM 446 C PHE A 200 -2.161 -7.934 2.379 1.00 0.00 C ATOM 447 O PHE A 200 -1.136 -7.658 1.792 1.00 0.00 O ATOM 448 CB PHE A 200 -3.433 -6.287 3.786 1.00 0.00 C ATOM 449 CG PHE A 200 -2.158 -5.519 4.051 1.00 0.00 C ATOM 450 CD1 PHE A 200 -1.830 -4.412 3.249 1.00 0.00 C ATOM 451 CD2 PHE A 200 -1.297 -5.907 5.095 1.00 0.00 C ATOM 452 CE1 PHE A 200 -0.652 -3.696 3.498 1.00 0.00 C ATOM 453 CE2 PHE A 200 -0.125 -5.187 5.335 1.00 0.00 C ATOM 454 CZ PHE A 200 0.195 -4.084 4.541 1.00 0.00 C ATOM 0 H PHE A 200 -5.312 -7.629 2.875 1.00 0.00 H new ATOM 0 HA PHE A 200 -3.185 -6.185 1.643 1.00 0.00 H new ATOM 0 HB2 PHE A 200 -4.291 -5.616 3.828 1.00 0.00 H new ATOM 0 HB3 PHE A 200 -3.582 -7.044 4.556 1.00 0.00 H new ATOM 0 HD1 PHE A 200 -2.484 -4.114 2.443 1.00 0.00 H new ATOM 0 HD2 PHE A 200 -1.543 -6.760 5.710 1.00 0.00 H new ATOM 0 HE1 PHE A 200 -0.398 -2.844 2.884 1.00 0.00 H new ATOM 0 HE2 PHE A 200 0.535 -5.484 6.136 1.00 0.00 H new ATOM 0 HZ PHE A 200 1.101 -3.528 4.733 1.00 0.00 H new ATOM 464 N ARG A 201 -2.296 -9.081 3.008 1.00 0.00 N ATOM 465 CA ARG A 201 -1.183 -10.080 3.006 1.00 0.00 C ATOM 466 C ARG A 201 -0.895 -10.527 1.566 1.00 0.00 C ATOM 467 O ARG A 201 0.244 -10.690 1.161 1.00 0.00 O ATOM 468 CB ARG A 201 -1.597 -11.297 3.855 1.00 0.00 C ATOM 469 CG ARG A 201 -1.641 -10.902 5.334 1.00 0.00 C ATOM 470 CD ARG A 201 -2.000 -12.135 6.178 1.00 0.00 C ATOM 471 NE ARG A 201 -3.318 -12.672 5.726 1.00 0.00 N ATOM 472 CZ ARG A 201 -3.704 -13.856 6.105 1.00 0.00 C ATOM 473 NH1 ARG A 201 -2.977 -14.552 6.925 1.00 0.00 N ATOM 474 NH2 ARG A 201 -4.829 -14.342 5.664 1.00 0.00 N ATOM 0 H ARG A 201 -3.130 -9.365 3.522 1.00 0.00 H new ATOM 0 HA ARG A 201 -0.284 -9.630 3.426 1.00 0.00 H new ATOM 0 HB2 ARG A 201 -2.574 -11.660 3.536 1.00 0.00 H new ATOM 0 HB3 ARG A 201 -0.890 -12.113 3.707 1.00 0.00 H new ATOM 0 HG2 ARG A 201 -0.675 -10.503 5.645 1.00 0.00 H new ATOM 0 HG3 ARG A 201 -2.377 -10.113 5.490 1.00 0.00 H new ATOM 0 HD2 ARG A 201 -1.228 -12.898 6.076 1.00 0.00 H new ATOM 0 HD3 ARG A 201 -2.045 -11.867 7.234 1.00 0.00 H new ATOM 0 HE ARG A 201 -3.916 -12.111 5.120 1.00 0.00 H new ATOM 0 HH11 ARG A 201 -2.098 -14.172 7.276 1.00 0.00 H new ATOM 0 HH12 ARG A 201 -3.285 -15.479 7.218 1.00 0.00 H new ATOM 0 HH21 ARG A 201 -5.405 -13.795 5.024 1.00 0.00 H new ATOM 0 HH22 ARG A 201 -5.134 -15.269 5.959 1.00 0.00 H new ATOM 488 N LYS A 202 -1.930 -10.721 0.792 1.00 0.00 N ATOM 489 CA LYS A 202 -1.751 -11.162 -0.621 1.00 0.00 C ATOM 490 C LYS A 202 -1.156 -10.017 -1.464 1.00 0.00 C ATOM 491 O LYS A 202 -0.291 -10.229 -2.285 1.00 0.00 O ATOM 492 CB LYS A 202 -3.119 -11.557 -1.187 1.00 0.00 C ATOM 493 CG LYS A 202 -2.927 -12.255 -2.537 1.00 0.00 C ATOM 494 CD LYS A 202 -4.283 -12.738 -3.072 1.00 0.00 C ATOM 495 CE LYS A 202 -4.116 -13.322 -4.484 1.00 0.00 C ATOM 496 NZ LYS A 202 -5.392 -13.160 -5.219 1.00 0.00 N ATOM 0 H LYS A 202 -2.899 -10.591 1.082 1.00 0.00 H new ATOM 0 HA LYS A 202 -1.069 -12.012 -0.655 1.00 0.00 H new ATOM 0 HB2 LYS A 202 -3.635 -12.220 -0.492 1.00 0.00 H new ATOM 0 HB3 LYS A 202 -3.744 -10.672 -1.308 1.00 0.00 H new ATOM 0 HG2 LYS A 202 -2.469 -11.569 -3.249 1.00 0.00 H new ATOM 0 HG3 LYS A 202 -2.248 -13.100 -2.426 1.00 0.00 H new ATOM 0 HD2 LYS A 202 -4.698 -13.493 -2.404 1.00 0.00 H new ATOM 0 HD3 LYS A 202 -4.990 -11.909 -3.094 1.00 0.00 H new ATOM 0 HE2 LYS A 202 -3.309 -12.812 -5.011 1.00 0.00 H new ATOM 0 HE3 LYS A 202 -3.844 -14.376 -4.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 202 -5.293 -13.552 -6.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 202 -6.149 -13.665 -4.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 202 -5.631 -12.150 -5.281 1.00 0.00 H new ATOM 510 N CYS A 203 -1.602 -8.806 -1.272 1.00 0.00 N ATOM 511 CA CYS A 203 -1.043 -7.677 -2.072 1.00 0.00 C ATOM 512 C CYS A 203 0.456 -7.518 -1.770 1.00 0.00 C ATOM 513 O CYS A 203 1.264 -7.267 -2.647 1.00 0.00 O ATOM 514 CB CYS A 203 -1.791 -6.393 -1.705 1.00 0.00 C ATOM 515 SG CYS A 203 -1.202 -5.787 -0.106 1.00 0.00 S ATOM 0 H CYS A 203 -2.325 -8.549 -0.600 1.00 0.00 H new ATOM 0 HA CYS A 203 -1.165 -7.880 -3.136 1.00 0.00 H new ATOM 0 HB2 CYS A 203 -1.634 -5.636 -2.473 1.00 0.00 H new ATOM 0 HB3 CYS A 203 -2.863 -6.584 -1.661 1.00 0.00 H new ATOM 0 HG CYS A 203 -1.163 -6.770 0.743 1.00 0.00 H new ATOM 521 N TYR A 204 0.837 -7.665 -0.533 1.00 0.00 N ATOM 522 CA TYR A 204 2.281 -7.533 -0.187 1.00 0.00 C ATOM 523 C TYR A 204 3.068 -8.584 -0.970 1.00 0.00 C ATOM 524 O TYR A 204 4.150 -8.333 -1.458 1.00 0.00 O ATOM 525 CB TYR A 204 2.495 -7.771 1.306 1.00 0.00 C ATOM 526 CG TYR A 204 3.909 -7.410 1.686 1.00 0.00 C ATOM 527 CD1 TYR A 204 4.959 -8.287 1.398 1.00 0.00 C ATOM 528 CD2 TYR A 204 4.163 -6.201 2.335 1.00 0.00 C ATOM 529 CE1 TYR A 204 6.266 -7.955 1.760 1.00 0.00 C ATOM 530 CE2 TYR A 204 5.472 -5.867 2.701 1.00 0.00 C ATOM 531 CZ TYR A 204 6.527 -6.749 2.412 1.00 0.00 C ATOM 532 OH TYR A 204 7.811 -6.430 2.773 1.00 0.00 O ATOM 0 H TYR A 204 0.216 -7.870 0.250 1.00 0.00 H new ATOM 0 HA TYR A 204 2.619 -6.528 -0.439 1.00 0.00 H new ATOM 0 HB2 TYR A 204 1.790 -7.173 1.883 1.00 0.00 H new ATOM 0 HB3 TYR A 204 2.300 -8.816 1.548 1.00 0.00 H new ATOM 0 HD1 TYR A 204 4.759 -9.222 0.895 1.00 0.00 H new ATOM 0 HD2 TYR A 204 3.351 -5.524 2.555 1.00 0.00 H new ATOM 0 HE1 TYR A 204 7.076 -8.633 1.535 1.00 0.00 H new ATOM 0 HE2 TYR A 204 5.671 -4.933 3.205 1.00 0.00 H new ATOM 0 HH TYR A 204 7.801 -5.638 3.350 1.00 0.00 H new ATOM 542 N GLU A 205 2.531 -9.768 -1.088 1.00 0.00 N ATOM 543 CA GLU A 205 3.247 -10.831 -1.844 1.00 0.00 C ATOM 544 C GLU A 205 3.452 -10.366 -3.286 1.00 0.00 C ATOM 545 O GLU A 205 4.505 -10.532 -3.862 1.00 0.00 O ATOM 546 CB GLU A 205 2.410 -12.109 -1.849 1.00 0.00 C ATOM 547 CG GLU A 205 2.389 -12.704 -0.438 1.00 0.00 C ATOM 548 CD GLU A 205 1.465 -13.921 -0.407 1.00 0.00 C ATOM 549 OE1 GLU A 205 0.897 -14.235 -1.444 1.00 0.00 O ATOM 550 OE2 GLU A 205 1.344 -14.522 0.655 1.00 0.00 O ATOM 0 H GLU A 205 1.631 -10.043 -0.695 1.00 0.00 H new ATOM 0 HA GLU A 205 4.210 -11.027 -1.372 1.00 0.00 H new ATOM 0 HB2 GLU A 205 1.394 -11.891 -2.180 1.00 0.00 H new ATOM 0 HB3 GLU A 205 2.827 -12.828 -2.554 1.00 0.00 H new ATOM 0 HG2 GLU A 205 3.397 -12.993 -0.139 1.00 0.00 H new ATOM 0 HG3 GLU A 205 2.046 -11.957 0.277 1.00 0.00 H new ATOM 557 N ARG A 206 2.454 -9.764 -3.866 1.00 0.00 N ATOM 558 CA ARG A 206 2.600 -9.265 -5.261 1.00 0.00 C ATOM 559 C ARG A 206 3.724 -8.242 -5.281 1.00 0.00 C ATOM 560 O ARG A 206 4.509 -8.198 -6.204 1.00 0.00 O ATOM 561 CB ARG A 206 1.301 -8.611 -5.730 1.00 0.00 C ATOM 562 CG ARG A 206 1.385 -8.309 -7.219 1.00 0.00 C ATOM 563 CD ARG A 206 0.082 -7.655 -7.670 1.00 0.00 C ATOM 564 NE ARG A 206 0.099 -7.453 -9.142 1.00 0.00 N ATOM 565 CZ ARG A 206 -1.015 -7.229 -9.778 1.00 0.00 C ATOM 566 NH1 ARG A 206 -2.131 -7.105 -9.116 1.00 0.00 N ATOM 567 NH2 ARG A 206 -1.012 -7.115 -11.074 1.00 0.00 N ATOM 0 H ARG A 206 1.545 -9.596 -3.436 1.00 0.00 H new ATOM 0 HA ARG A 206 2.826 -10.095 -5.930 1.00 0.00 H new ATOM 0 HB2 ARG A 206 0.458 -9.272 -5.531 1.00 0.00 H new ATOM 0 HB3 ARG A 206 1.124 -7.691 -5.172 1.00 0.00 H new ATOM 0 HG2 ARG A 206 2.227 -7.648 -7.422 1.00 0.00 H new ATOM 0 HG3 ARG A 206 1.559 -9.227 -7.780 1.00 0.00 H new ATOM 0 HD2 ARG A 206 -0.765 -8.281 -7.390 1.00 0.00 H new ATOM 0 HD3 ARG A 206 -0.048 -6.698 -7.165 1.00 0.00 H new ATOM 0 HE ARG A 206 0.981 -7.490 -9.653 1.00 0.00 H new ATOM 0 HH11 ARG A 206 -2.132 -7.183 -8.099 1.00 0.00 H new ATOM 0 HH12 ARG A 206 -3.003 -6.930 -9.615 1.00 0.00 H new ATOM 0 HH21 ARG A 206 -0.137 -7.201 -11.592 1.00 0.00 H new ATOM 0 HH22 ARG A 206 -1.884 -6.940 -11.573 1.00 0.00 H new ATOM 581 N LEU A 207 3.794 -7.415 -4.273 1.00 0.00 N ATOM 582 CA LEU A 207 4.874 -6.389 -4.222 1.00 0.00 C ATOM 583 C LEU A 207 6.240 -7.097 -4.207 1.00 0.00 C ATOM 584 O LEU A 207 7.182 -6.651 -4.833 1.00 0.00 O ATOM 585 CB LEU A 207 4.711 -5.515 -2.969 1.00 0.00 C ATOM 586 CG LEU A 207 5.804 -4.438 -2.912 1.00 0.00 C ATOM 587 CD1 LEU A 207 5.604 -3.416 -4.044 1.00 0.00 C ATOM 588 CD2 LEU A 207 5.716 -3.722 -1.571 1.00 0.00 C ATOM 0 H LEU A 207 3.150 -7.406 -3.482 1.00 0.00 H new ATOM 0 HA LEU A 207 4.811 -5.746 -5.100 1.00 0.00 H new ATOM 0 HB2 LEU A 207 3.728 -5.043 -2.974 1.00 0.00 H new ATOM 0 HB3 LEU A 207 4.761 -6.138 -2.076 1.00 0.00 H new ATOM 0 HG LEU A 207 6.780 -4.908 -3.029 1.00 0.00 H new ATOM 0 HD11 LEU A 207 6.386 -2.658 -3.992 1.00 0.00 H new ATOM 0 HD12 LEU A 207 5.655 -3.925 -5.007 1.00 0.00 H new ATOM 0 HD13 LEU A 207 4.629 -2.940 -3.937 1.00 0.00 H new ATOM 0 HD21 LEU A 207 6.487 -2.954 -1.517 1.00 0.00 H new ATOM 0 HD22 LEU A 207 4.735 -3.258 -1.470 1.00 0.00 H new ATOM 0 HD23 LEU A 207 5.863 -4.441 -0.765 1.00 0.00 H new ATOM 600 N GLU A 208 6.369 -8.185 -3.484 1.00 0.00 N ATOM 601 CA GLU A 208 7.688 -8.882 -3.446 1.00 0.00 C ATOM 602 C GLU A 208 8.082 -9.275 -4.865 1.00 0.00 C ATOM 603 O GLU A 208 9.219 -9.148 -5.261 1.00 0.00 O ATOM 604 CB GLU A 208 7.559 -10.155 -2.603 1.00 0.00 C ATOM 605 CG GLU A 208 7.537 -9.799 -1.110 1.00 0.00 C ATOM 606 CD GLU A 208 8.978 -9.668 -0.598 1.00 0.00 C ATOM 607 OE1 GLU A 208 9.790 -9.077 -1.297 1.00 0.00 O ATOM 608 OE2 GLU A 208 9.245 -10.181 0.475 1.00 0.00 O ATOM 0 H GLU A 208 5.629 -8.613 -2.928 1.00 0.00 H new ATOM 0 HA GLU A 208 8.441 -8.222 -3.015 1.00 0.00 H new ATOM 0 HB2 GLU A 208 6.646 -10.687 -2.871 1.00 0.00 H new ATOM 0 HB3 GLU A 208 8.392 -10.825 -2.813 1.00 0.00 H new ATOM 0 HG2 GLU A 208 6.998 -8.865 -0.955 1.00 0.00 H new ATOM 0 HG3 GLU A 208 7.008 -10.569 -0.549 1.00 0.00 H new ATOM 615 N LEU A 209 7.152 -9.724 -5.649 1.00 0.00 N ATOM 616 CA LEU A 209 7.488 -10.089 -7.045 1.00 0.00 C ATOM 617 C LEU A 209 7.809 -8.797 -7.806 1.00 0.00 C ATOM 618 O LEU A 209 8.725 -8.732 -8.597 1.00 0.00 O ATOM 619 CB LEU A 209 6.290 -10.776 -7.688 1.00 0.00 C ATOM 620 CG LEU A 209 5.995 -12.088 -6.954 1.00 0.00 C ATOM 621 CD1 LEU A 209 4.700 -12.688 -7.509 1.00 0.00 C ATOM 622 CD2 LEU A 209 7.158 -13.081 -7.146 1.00 0.00 C ATOM 0 H LEU A 209 6.175 -9.854 -5.385 1.00 0.00 H new ATOM 0 HA LEU A 209 8.342 -10.766 -7.070 1.00 0.00 H new ATOM 0 HB2 LEU A 209 5.419 -10.122 -7.649 1.00 0.00 H new ATOM 0 HB3 LEU A 209 6.493 -10.974 -8.740 1.00 0.00 H new ATOM 0 HG LEU A 209 5.883 -11.890 -5.888 1.00 0.00 H new ATOM 0 HD11 LEU A 209 4.481 -13.623 -6.993 1.00 0.00 H new ATOM 0 HD12 LEU A 209 3.879 -11.988 -7.355 1.00 0.00 H new ATOM 0 HD13 LEU A 209 4.816 -12.881 -8.575 1.00 0.00 H new ATOM 0 HD21 LEU A 209 6.935 -14.009 -6.619 1.00 0.00 H new ATOM 0 HD22 LEU A 209 7.287 -13.289 -8.208 1.00 0.00 H new ATOM 0 HD23 LEU A 209 8.075 -12.649 -6.747 1.00 0.00 H new ATOM 634 N ALA A 210 7.060 -7.764 -7.553 1.00 0.00 N ATOM 635 CA ALA A 210 7.321 -6.467 -8.241 1.00 0.00 C ATOM 636 C ALA A 210 8.676 -5.912 -7.780 1.00 0.00 C ATOM 637 O ALA A 210 9.490 -5.479 -8.574 1.00 0.00 O ATOM 638 CB ALA A 210 6.215 -5.474 -7.880 1.00 0.00 C ATOM 0 H ALA A 210 6.277 -7.759 -6.899 1.00 0.00 H new ATOM 0 HA ALA A 210 7.338 -6.619 -9.320 1.00 0.00 H new ATOM 0 HB1 ALA A 210 6.401 -4.524 -8.381 1.00 0.00 H new ATOM 0 HB2 ALA A 210 5.251 -5.870 -8.201 1.00 0.00 H new ATOM 0 HB3 ALA A 210 6.203 -5.319 -6.801 1.00 0.00 H new ATOM 644 N ALA A 211 8.921 -5.924 -6.495 1.00 0.00 N ATOM 645 CA ALA A 211 10.215 -5.402 -5.960 1.00 0.00 C ATOM 646 C ALA A 211 11.372 -6.178 -6.585 1.00 0.00 C ATOM 647 O ALA A 211 12.396 -5.616 -6.914 1.00 0.00 O ATOM 648 CB ALA A 211 10.233 -5.561 -4.441 1.00 0.00 C ATOM 0 H ALA A 211 8.275 -6.276 -5.788 1.00 0.00 H new ATOM 0 HA ALA A 211 10.321 -4.346 -6.209 1.00 0.00 H new ATOM 0 HB1 ALA A 211 11.176 -5.181 -4.047 1.00 0.00 H new ATOM 0 HB2 ALA A 211 9.406 -5.000 -4.007 1.00 0.00 H new ATOM 0 HB3 ALA A 211 10.131 -6.615 -4.184 1.00 0.00 H new ATOM 654 N ARG A 212 11.229 -7.456 -6.762 1.00 0.00 N ATOM 655 CA ARG A 212 12.333 -8.227 -7.378 1.00 0.00 C ATOM 656 C ARG A 212 12.555 -7.722 -8.823 1.00 0.00 C ATOM 657 O ARG A 212 13.673 -7.561 -9.281 1.00 0.00 O ATOM 658 CB ARG A 212 11.951 -9.722 -7.401 1.00 0.00 C ATOM 659 CG ARG A 212 13.135 -10.577 -7.893 1.00 0.00 C ATOM 660 CD ARG A 212 13.996 -11.038 -6.702 1.00 0.00 C ATOM 661 NE ARG A 212 14.666 -9.868 -6.074 1.00 0.00 N ATOM 662 CZ ARG A 212 15.169 -9.979 -4.879 1.00 0.00 C ATOM 663 NH1 ARG A 212 15.120 -11.124 -4.250 1.00 0.00 N ATOM 664 NH2 ARG A 212 15.725 -8.943 -4.312 1.00 0.00 N ATOM 0 H ARG A 212 10.402 -7.996 -6.509 1.00 0.00 H new ATOM 0 HA ARG A 212 13.250 -8.096 -6.803 1.00 0.00 H new ATOM 0 HB2 ARG A 212 11.654 -10.042 -6.402 1.00 0.00 H new ATOM 0 HB3 ARG A 212 11.091 -9.873 -8.053 1.00 0.00 H new ATOM 0 HG2 ARG A 212 12.763 -11.444 -8.439 1.00 0.00 H new ATOM 0 HG3 ARG A 212 13.744 -10.000 -8.589 1.00 0.00 H new ATOM 0 HD2 ARG A 212 13.372 -11.547 -5.968 1.00 0.00 H new ATOM 0 HD3 ARG A 212 14.743 -11.757 -7.039 1.00 0.00 H new ATOM 0 HE ARG A 212 14.731 -8.983 -6.577 1.00 0.00 H new ATOM 0 HH11 ARG A 212 14.687 -11.933 -4.696 1.00 0.00 H new ATOM 0 HH12 ARG A 212 15.515 -11.209 -3.313 1.00 0.00 H new ATOM 0 HH21 ARG A 212 15.764 -8.051 -4.805 1.00 0.00 H new ATOM 0 HH22 ARG A 212 16.121 -9.025 -3.375 1.00 0.00 H new ATOM 678 N GLU A 213 11.494 -7.468 -9.537 1.00 0.00 N ATOM 679 CA GLU A 213 11.638 -6.981 -10.937 1.00 0.00 C ATOM 680 C GLU A 213 12.409 -5.641 -10.959 1.00 0.00 C ATOM 681 O GLU A 213 13.352 -5.475 -11.703 1.00 0.00 O ATOM 682 CB GLU A 213 10.237 -6.788 -11.525 1.00 0.00 C ATOM 683 CG GLU A 213 10.332 -6.436 -13.016 1.00 0.00 C ATOM 684 CD GLU A 213 10.808 -7.655 -13.814 1.00 0.00 C ATOM 685 OE1 GLU A 213 12.005 -7.869 -13.886 1.00 0.00 O ATOM 686 OE2 GLU A 213 9.961 -8.350 -14.351 1.00 0.00 O ATOM 0 H GLU A 213 10.533 -7.577 -9.212 1.00 0.00 H new ATOM 0 HA GLU A 213 12.197 -7.707 -11.528 1.00 0.00 H new ATOM 0 HB2 GLU A 213 9.652 -7.698 -11.395 1.00 0.00 H new ATOM 0 HB3 GLU A 213 9.716 -5.995 -10.989 1.00 0.00 H new ATOM 0 HG2 GLU A 213 9.360 -6.108 -13.383 1.00 0.00 H new ATOM 0 HG3 GLU A 213 11.023 -5.605 -13.159 1.00 0.00 H new ATOM 693 N HIS A 214 12.008 -4.683 -10.156 1.00 0.00 N ATOM 694 CA HIS A 214 12.720 -3.352 -10.149 1.00 0.00 C ATOM 695 C HIS A 214 13.825 -3.345 -9.077 1.00 0.00 C ATOM 696 O HIS A 214 14.577 -2.395 -8.944 1.00 0.00 O ATOM 697 CB HIS A 214 11.705 -2.258 -9.827 1.00 0.00 C ATOM 698 CG HIS A 214 10.735 -2.092 -10.971 1.00 0.00 C ATOM 699 ND1 HIS A 214 11.072 -1.421 -12.134 1.00 0.00 N ATOM 700 CD2 HIS A 214 9.433 -2.499 -11.142 1.00 0.00 C ATOM 701 CE1 HIS A 214 10.003 -1.445 -12.949 1.00 0.00 C ATOM 702 NE2 HIS A 214 8.976 -2.092 -12.393 1.00 0.00 N ATOM 0 H HIS A 214 11.225 -4.759 -9.507 1.00 0.00 H new ATOM 0 HA HIS A 214 13.173 -3.178 -11.125 1.00 0.00 H new ATOM 0 HB2 HIS A 214 11.163 -2.511 -8.916 1.00 0.00 H new ATOM 0 HB3 HIS A 214 12.222 -1.317 -9.639 1.00 0.00 H new ATOM 0 HD2 HIS A 214 8.853 -3.050 -10.417 1.00 0.00 H new ATOM 0 HE1 HIS A 214 9.978 -0.997 -13.931 1.00 0.00 H new ATOM 0 HE2 HIS A 214 8.054 -2.254 -12.798 1.00 0.00 H new ATOM 710 N GLY A 215 13.911 -4.391 -8.301 1.00 0.00 N ATOM 711 CA GLY A 215 14.945 -4.468 -7.226 1.00 0.00 C ATOM 712 C GLY A 215 14.628 -3.481 -6.094 1.00 0.00 C ATOM 713 O GLY A 215 15.504 -3.102 -5.334 1.00 0.00 O ATOM 0 H GLY A 215 13.302 -5.206 -8.366 1.00 0.00 H new ATOM 0 HA2 GLY A 215 14.989 -5.482 -6.829 1.00 0.00 H new ATOM 0 HA3 GLY A 215 15.927 -4.247 -7.643 1.00 0.00 H new ATOM 717 N TRP A 216 13.394 -3.066 -5.966 1.00 0.00 N ATOM 718 CA TRP A 216 13.031 -2.095 -4.870 1.00 0.00 C ATOM 719 C TRP A 216 13.261 -2.730 -3.493 1.00 0.00 C ATOM 720 O TRP A 216 12.933 -3.878 -3.265 1.00 0.00 O ATOM 721 CB TRP A 216 11.540 -1.715 -4.925 1.00 0.00 C ATOM 722 CG TRP A 216 11.168 -0.997 -6.192 1.00 0.00 C ATOM 723 CD1 TRP A 216 11.902 -0.029 -6.799 1.00 0.00 C ATOM 724 CD2 TRP A 216 9.950 -1.150 -6.986 1.00 0.00 C ATOM 725 NE1 TRP A 216 11.219 0.421 -7.913 1.00 0.00 N ATOM 726 CE2 TRP A 216 10.010 -0.244 -8.080 1.00 0.00 C ATOM 727 CE3 TRP A 216 8.805 -1.983 -6.875 1.00 0.00 C ATOM 728 CZ2 TRP A 216 8.977 -0.167 -9.022 1.00 0.00 C ATOM 729 CZ3 TRP A 216 7.771 -1.898 -7.831 1.00 0.00 C ATOM 730 CH2 TRP A 216 7.859 -0.995 -8.898 1.00 0.00 C ATOM 0 H TRP A 216 12.620 -3.351 -6.566 1.00 0.00 H new ATOM 0 HA TRP A 216 13.658 -1.215 -5.017 1.00 0.00 H new ATOM 0 HB2 TRP A 216 10.936 -2.618 -4.834 1.00 0.00 H new ATOM 0 HB3 TRP A 216 11.299 -1.083 -4.070 1.00 0.00 H new ATOM 0 HD1 TRP A 216 12.864 0.331 -6.465 1.00 0.00 H new ATOM 0 HE1 TRP A 216 11.561 1.152 -8.537 1.00 0.00 H new ATOM 0 HE3 TRP A 216 8.726 -2.683 -6.057 1.00 0.00 H new ATOM 0 HZ2 TRP A 216 9.045 0.531 -9.843 1.00 0.00 H new ATOM 0 HZ3 TRP A 216 6.904 -2.535 -7.739 1.00 0.00 H new ATOM 0 HH2 TRP A 216 7.062 -0.939 -9.625 1.00 0.00 H new ATOM 741 N SER A 217 13.767 -1.970 -2.553 1.00 0.00 N ATOM 742 CA SER A 217 13.953 -2.508 -1.174 1.00 0.00 C ATOM 743 C SER A 217 12.636 -2.265 -0.416 1.00 0.00 C ATOM 744 O SER A 217 12.278 -1.139 -0.134 1.00 0.00 O ATOM 745 CB SER A 217 15.114 -1.774 -0.474 1.00 0.00 C ATOM 746 OG SER A 217 15.241 -2.246 0.867 1.00 0.00 O ATOM 0 H SER A 217 14.058 -1.001 -2.683 1.00 0.00 H new ATOM 0 HA SER A 217 14.196 -3.570 -1.198 1.00 0.00 H new ATOM 0 HB2 SER A 217 16.044 -1.941 -1.018 1.00 0.00 H new ATOM 0 HB3 SER A 217 14.932 -0.699 -0.476 1.00 0.00 H new ATOM 0 HG SER A 217 15.980 -1.779 1.309 1.00 0.00 H new ATOM 752 N ILE A 218 11.888 -3.298 -0.109 1.00 0.00 N ATOM 753 CA ILE A 218 10.576 -3.082 0.593 1.00 0.00 C ATOM 754 C ILE A 218 10.789 -3.094 2.118 1.00 0.00 C ATOM 755 O ILE A 218 11.665 -3.773 2.608 1.00 0.00 O ATOM 756 CB ILE A 218 9.592 -4.199 0.192 1.00 0.00 C ATOM 757 CG1 ILE A 218 9.990 -5.529 0.880 1.00 0.00 C ATOM 758 CG2 ILE A 218 9.633 -4.351 -1.326 1.00 0.00 C ATOM 759 CD1 ILE A 218 9.206 -6.695 0.278 1.00 0.00 C ATOM 0 H ILE A 218 12.122 -4.270 -0.310 1.00 0.00 H new ATOM 0 HA ILE A 218 10.165 -2.115 0.302 1.00 0.00 H new ATOM 0 HB ILE A 218 8.581 -3.943 0.510 1.00 0.00 H new ATOM 0 HG12 ILE A 218 11.060 -5.702 0.761 1.00 0.00 H new ATOM 0 HG13 ILE A 218 9.795 -5.465 1.950 1.00 0.00 H new ATOM 0 HG21 ILE A 218 8.943 -5.137 -1.632 1.00 0.00 H new ATOM 0 HG22 ILE A 218 9.342 -3.411 -1.794 1.00 0.00 H new ATOM 0 HG23 ILE A 218 10.644 -4.614 -1.638 1.00 0.00 H new ATOM 0 HD11 ILE A 218 9.497 -7.622 0.772 1.00 0.00 H new ATOM 0 HD12 ILE A 218 8.138 -6.527 0.420 1.00 0.00 H new ATOM 0 HD13 ILE A 218 9.423 -6.768 -0.788 1.00 0.00 H new ATOM 771 N PRO A 219 9.998 -2.362 2.869 1.00 0.00 N ATOM 772 CA PRO A 219 10.131 -2.323 4.352 1.00 0.00 C ATOM 773 C PRO A 219 9.590 -3.592 5.002 1.00 0.00 C ATOM 774 O PRO A 219 8.990 -4.420 4.359 1.00 0.00 O ATOM 775 CB PRO A 219 9.288 -1.105 4.753 1.00 0.00 C ATOM 776 CG PRO A 219 8.233 -1.022 3.697 1.00 0.00 C ATOM 777 CD PRO A 219 8.902 -1.490 2.403 1.00 0.00 C ATOM 0 HA PRO A 219 11.170 -2.255 4.674 1.00 0.00 H new ATOM 0 HB2 PRO A 219 8.851 -1.233 5.743 1.00 0.00 H new ATOM 0 HB3 PRO A 219 9.891 -0.197 4.785 1.00 0.00 H new ATOM 0 HG2 PRO A 219 7.380 -1.652 3.946 1.00 0.00 H new ATOM 0 HG3 PRO A 219 7.858 -0.003 3.597 1.00 0.00 H new ATOM 0 HD2 PRO A 219 8.204 -2.031 1.765 1.00 0.00 H new ATOM 0 HD3 PRO A 219 9.280 -0.649 1.821 1.00 0.00 H new ATOM 785 N SER A 220 9.803 -3.755 6.272 1.00 0.00 N ATOM 786 CA SER A 220 9.301 -4.973 6.958 1.00 0.00 C ATOM 787 C SER A 220 7.776 -5.028 6.865 1.00 0.00 C ATOM 788 O SER A 220 7.101 -4.026 6.968 1.00 0.00 O ATOM 789 CB SER A 220 9.718 -4.945 8.424 1.00 0.00 C ATOM 790 OG SER A 220 9.250 -6.118 9.064 1.00 0.00 O ATOM 0 H SER A 220 10.304 -3.096 6.868 1.00 0.00 H new ATOM 0 HA SER A 220 9.725 -5.854 6.476 1.00 0.00 H new ATOM 0 HB2 SER A 220 10.803 -4.881 8.505 1.00 0.00 H new ATOM 0 HB3 SER A 220 9.309 -4.061 8.914 1.00 0.00 H new ATOM 0 HG SER A 220 9.517 -6.105 10.007 1.00 0.00 H new ATOM 796 N ARG A 221 7.224 -6.191 6.677 1.00 0.00 N ATOM 797 CA ARG A 221 5.741 -6.300 6.571 1.00 0.00 C ATOM 798 C ARG A 221 5.088 -5.560 7.748 1.00 0.00 C ATOM 799 O ARG A 221 4.139 -4.817 7.570 1.00 0.00 O ATOM 800 CB ARG A 221 5.358 -7.781 6.649 1.00 0.00 C ATOM 801 CG ARG A 221 5.825 -8.545 5.391 1.00 0.00 C ATOM 802 CD ARG A 221 5.681 -10.057 5.626 1.00 0.00 C ATOM 803 NE ARG A 221 6.067 -10.796 4.378 1.00 0.00 N ATOM 804 CZ ARG A 221 5.395 -10.647 3.278 1.00 0.00 C ATOM 805 NH1 ARG A 221 4.242 -10.007 3.278 1.00 0.00 N ATOM 806 NH2 ARG A 221 5.844 -11.181 2.184 1.00 0.00 N ATOM 0 H ARG A 221 7.732 -7.071 6.592 1.00 0.00 H new ATOM 0 HA ARG A 221 5.403 -5.864 5.631 1.00 0.00 H new ATOM 0 HB2 ARG A 221 5.805 -8.229 7.537 1.00 0.00 H new ATOM 0 HB3 ARG A 221 4.277 -7.875 6.755 1.00 0.00 H new ATOM 0 HG2 ARG A 221 5.232 -8.242 4.528 1.00 0.00 H new ATOM 0 HG3 ARG A 221 6.863 -8.298 5.167 1.00 0.00 H new ATOM 0 HD2 ARG A 221 6.314 -10.369 6.457 1.00 0.00 H new ATOM 0 HD3 ARG A 221 4.654 -10.297 5.901 1.00 0.00 H new ATOM 0 HE ARG A 221 6.870 -11.425 4.395 1.00 0.00 H new ATOM 0 HH11 ARG A 221 3.871 -9.624 4.148 1.00 0.00 H new ATOM 0 HH12 ARG A 221 3.721 -9.895 2.408 1.00 0.00 H new ATOM 0 HH21 ARG A 221 6.716 -11.711 2.195 1.00 0.00 H new ATOM 0 HH22 ARG A 221 5.325 -11.071 1.313 1.00 0.00 H new ATOM 820 N ALA A 222 5.580 -5.746 8.942 1.00 0.00 N ATOM 821 CA ALA A 222 4.977 -5.043 10.115 1.00 0.00 C ATOM 822 C ALA A 222 5.071 -3.521 9.933 1.00 0.00 C ATOM 823 O ALA A 222 4.167 -2.781 10.282 1.00 0.00 O ATOM 824 CB ALA A 222 5.730 -5.430 11.383 1.00 0.00 C ATOM 0 H ALA A 222 6.371 -6.352 9.158 1.00 0.00 H new ATOM 0 HA ALA A 222 3.930 -5.335 10.193 1.00 0.00 H new ATOM 0 HB1 ALA A 222 5.290 -4.917 12.238 1.00 0.00 H new ATOM 0 HB2 ALA A 222 5.662 -6.508 11.532 1.00 0.00 H new ATOM 0 HB3 ALA A 222 6.777 -5.142 11.287 1.00 0.00 H new ATOM 830 N THR A 223 6.172 -3.044 9.409 1.00 0.00 N ATOM 831 CA THR A 223 6.342 -1.576 9.219 1.00 0.00 C ATOM 832 C THR A 223 5.323 -1.028 8.217 1.00 0.00 C ATOM 833 O THR A 223 4.795 0.056 8.387 1.00 0.00 O ATOM 834 CB THR A 223 7.749 -1.312 8.683 1.00 0.00 C ATOM 835 OG1 THR A 223 8.708 -1.791 9.618 1.00 0.00 O ATOM 836 CG2 THR A 223 7.947 0.190 8.458 1.00 0.00 C ATOM 0 H THR A 223 6.962 -3.613 9.104 1.00 0.00 H new ATOM 0 HA THR A 223 6.189 -1.080 10.177 1.00 0.00 H new ATOM 0 HB THR A 223 7.878 -1.832 7.734 1.00 0.00 H new ATOM 0 HG1 THR A 223 9.611 -1.624 9.275 1.00 0.00 H new ATOM 0 HG21 THR A 223 8.952 0.371 8.076 1.00 0.00 H new ATOM 0 HG22 THR A 223 7.214 0.549 7.736 1.00 0.00 H new ATOM 0 HG23 THR A 223 7.817 0.720 9.402 1.00 0.00 H new ATOM 844 N ALA A 224 5.057 -1.739 7.157 1.00 0.00 N ATOM 845 CA ALA A 224 4.103 -1.227 6.139 1.00 0.00 C ATOM 846 C ALA A 224 2.720 -1.004 6.759 1.00 0.00 C ATOM 847 O ALA A 224 2.167 0.070 6.674 1.00 0.00 O ATOM 848 CB ALA A 224 3.993 -2.237 4.992 1.00 0.00 C ATOM 0 H ALA A 224 5.460 -2.653 6.953 1.00 0.00 H new ATOM 0 HA ALA A 224 4.472 -0.274 5.760 1.00 0.00 H new ATOM 0 HB1 ALA A 224 3.294 -1.863 4.244 1.00 0.00 H new ATOM 0 HB2 ALA A 224 4.973 -2.377 4.535 1.00 0.00 H new ATOM 0 HB3 ALA A 224 3.634 -3.190 5.380 1.00 0.00 H new ATOM 854 N PHE A 225 2.155 -2.002 7.368 1.00 0.00 N ATOM 855 CA PHE A 225 0.795 -1.843 7.973 1.00 0.00 C ATOM 856 C PHE A 225 0.781 -0.735 9.032 1.00 0.00 C ATOM 857 O PHE A 225 -0.166 0.019 9.125 1.00 0.00 O ATOM 858 CB PHE A 225 0.352 -3.156 8.607 1.00 0.00 C ATOM 859 CG PHE A 225 -1.012 -2.970 9.233 1.00 0.00 C ATOM 860 CD1 PHE A 225 -2.124 -2.691 8.426 1.00 0.00 C ATOM 861 CD2 PHE A 225 -1.163 -3.073 10.619 1.00 0.00 C ATOM 862 CE1 PHE A 225 -3.386 -2.514 9.001 1.00 0.00 C ATOM 863 CE2 PHE A 225 -2.428 -2.896 11.194 1.00 0.00 C ATOM 864 CZ PHE A 225 -3.537 -2.615 10.385 1.00 0.00 C ATOM 0 H PHE A 225 2.572 -2.927 7.477 1.00 0.00 H new ATOM 0 HA PHE A 225 0.105 -1.565 7.176 1.00 0.00 H new ATOM 0 HB2 PHE A 225 0.316 -3.943 7.854 1.00 0.00 H new ATOM 0 HB3 PHE A 225 1.072 -3.470 9.362 1.00 0.00 H new ATOM 0 HD1 PHE A 225 -2.005 -2.612 7.355 1.00 0.00 H new ATOM 0 HD2 PHE A 225 -0.308 -3.288 11.243 1.00 0.00 H new ATOM 0 HE1 PHE A 225 -4.241 -2.300 8.377 1.00 0.00 H new ATOM 0 HE2 PHE A 225 -2.549 -2.976 12.264 1.00 0.00 H new ATOM 0 HZ PHE A 225 -4.510 -2.476 10.833 1.00 0.00 H new ATOM 874 N ARG A 226 1.792 -0.633 9.849 1.00 0.00 N ATOM 875 CA ARG A 226 1.786 0.421 10.901 1.00 0.00 C ATOM 876 C ARG A 226 1.682 1.796 10.254 1.00 0.00 C ATOM 877 O ARG A 226 0.983 2.669 10.735 1.00 0.00 O ATOM 878 CB ARG A 226 3.079 0.324 11.715 1.00 0.00 C ATOM 879 CG ARG A 226 3.080 1.378 12.825 1.00 0.00 C ATOM 880 CD ARG A 226 4.376 1.263 13.642 1.00 0.00 C ATOM 881 NE ARG A 226 4.363 2.246 14.761 1.00 0.00 N ATOM 882 CZ ARG A 226 5.209 2.123 15.746 1.00 0.00 C ATOM 883 NH1 ARG A 226 6.090 1.162 15.740 1.00 0.00 N ATOM 884 NH2 ARG A 226 5.185 2.968 16.743 1.00 0.00 N ATOM 0 H ARG A 226 2.618 -1.231 9.834 1.00 0.00 H new ATOM 0 HA ARG A 226 0.929 0.277 11.559 1.00 0.00 H new ATOM 0 HB2 ARG A 226 3.172 -0.672 12.148 1.00 0.00 H new ATOM 0 HB3 ARG A 226 3.940 0.470 11.063 1.00 0.00 H new ATOM 0 HG2 ARG A 226 2.997 2.376 12.394 1.00 0.00 H new ATOM 0 HG3 ARG A 226 2.215 1.239 13.474 1.00 0.00 H new ATOM 0 HD2 ARG A 226 4.478 0.252 14.037 1.00 0.00 H new ATOM 0 HD3 ARG A 226 5.238 1.443 12.999 1.00 0.00 H new ATOM 0 HE ARG A 226 3.693 3.015 14.757 1.00 0.00 H new ATOM 0 HH11 ARG A 226 6.120 0.502 14.963 1.00 0.00 H new ATOM 0 HH12 ARG A 226 6.750 1.070 16.513 1.00 0.00 H new ATOM 0 HH21 ARG A 226 4.503 3.727 16.752 1.00 0.00 H new ATOM 0 HH22 ARG A 226 5.848 2.869 17.512 1.00 0.00 H new ATOM 898 N ARG A 227 2.378 1.992 9.167 1.00 0.00 N ATOM 899 CA ARG A 227 2.319 3.307 8.468 1.00 0.00 C ATOM 900 C ARG A 227 0.916 3.490 7.865 1.00 0.00 C ATOM 901 O ARG A 227 0.355 4.564 7.884 1.00 0.00 O ATOM 902 CB ARG A 227 3.403 3.379 7.386 1.00 0.00 C ATOM 903 CG ARG A 227 4.784 3.467 8.047 1.00 0.00 C ATOM 904 CD ARG A 227 5.880 3.553 6.976 1.00 0.00 C ATOM 905 NE ARG A 227 7.217 3.603 7.630 1.00 0.00 N ATOM 906 CZ ARG A 227 8.292 3.418 6.919 1.00 0.00 C ATOM 907 NH1 ARG A 227 8.193 3.190 5.645 1.00 0.00 N ATOM 908 NH2 ARG A 227 9.467 3.493 7.476 1.00 0.00 N ATOM 0 H ARG A 227 2.985 1.297 8.733 1.00 0.00 H new ATOM 0 HA ARG A 227 2.506 4.114 9.176 1.00 0.00 H new ATOM 0 HB2 ARG A 227 3.351 2.499 6.745 1.00 0.00 H new ATOM 0 HB3 ARG A 227 3.238 4.248 6.748 1.00 0.00 H new ATOM 0 HG2 ARG A 227 4.830 4.342 8.695 1.00 0.00 H new ATOM 0 HG3 ARG A 227 4.950 2.594 8.678 1.00 0.00 H new ATOM 0 HD2 ARG A 227 5.821 2.691 6.312 1.00 0.00 H new ATOM 0 HD3 ARG A 227 5.732 4.440 6.361 1.00 0.00 H new ATOM 0 HE ARG A 227 7.290 3.782 8.632 1.00 0.00 H new ATOM 0 HH11 ARG A 227 7.274 3.156 5.203 1.00 0.00 H new ATOM 0 HH12 ARG A 227 9.034 3.045 5.086 1.00 0.00 H new ATOM 0 HH21 ARG A 227 9.547 3.697 8.472 1.00 0.00 H new ATOM 0 HH22 ARG A 227 10.307 3.348 6.916 1.00 0.00 H new ATOM 922 N ILE A 228 0.338 2.428 7.359 1.00 0.00 N ATOM 923 CA ILE A 228 -1.039 2.519 6.773 1.00 0.00 C ATOM 924 C ILE A 228 -2.014 2.991 7.863 1.00 0.00 C ATOM 925 O ILE A 228 -2.919 3.774 7.615 1.00 0.00 O ATOM 926 CB ILE A 228 -1.465 1.130 6.275 1.00 0.00 C ATOM 927 CG1 ILE A 228 -0.484 0.633 5.175 1.00 0.00 C ATOM 928 CG2 ILE A 228 -2.913 1.214 5.744 1.00 0.00 C ATOM 929 CD1 ILE A 228 -0.931 1.090 3.784 1.00 0.00 C ATOM 0 H ILE A 228 0.760 1.500 7.326 1.00 0.00 H new ATOM 0 HA ILE A 228 -1.046 3.224 5.942 1.00 0.00 H new ATOM 0 HB ILE A 228 -1.432 0.410 7.093 1.00 0.00 H new ATOM 0 HG12 ILE A 228 0.518 1.011 5.380 1.00 0.00 H new ATOM 0 HG13 ILE A 228 -0.426 -0.455 5.201 1.00 0.00 H new ATOM 0 HG21 ILE A 228 -3.227 0.233 5.387 1.00 0.00 H new ATOM 0 HG22 ILE A 228 -3.576 1.538 6.546 1.00 0.00 H new ATOM 0 HG23 ILE A 228 -2.959 1.930 4.924 1.00 0.00 H new ATOM 0 HD11 ILE A 228 -0.225 0.727 3.037 1.00 0.00 H new ATOM 0 HD12 ILE A 228 -1.922 0.690 3.571 1.00 0.00 H new ATOM 0 HD13 ILE A 228 -0.965 2.179 3.752 1.00 0.00 H new ATOM 941 N GLN A 229 -1.848 2.509 9.065 1.00 0.00 N ATOM 942 CA GLN A 229 -2.770 2.913 10.161 1.00 0.00 C ATOM 943 C GLN A 229 -2.643 4.420 10.397 1.00 0.00 C ATOM 944 O GLN A 229 -3.564 5.063 10.857 1.00 0.00 O ATOM 945 CB GLN A 229 -2.405 2.169 11.441 1.00 0.00 C ATOM 946 CG GLN A 229 -2.756 0.680 11.295 1.00 0.00 C ATOM 947 CD GLN A 229 -2.469 -0.034 12.622 1.00 0.00 C ATOM 948 OE1 GLN A 229 -3.350 -0.618 13.217 1.00 0.00 O ATOM 949 NE2 GLN A 229 -1.276 0.002 13.125 1.00 0.00 N ATOM 0 H GLN A 229 -1.114 1.854 9.334 1.00 0.00 H new ATOM 0 HA GLN A 229 -3.795 2.668 9.881 1.00 0.00 H new ATOM 0 HB2 GLN A 229 -1.341 2.283 11.648 1.00 0.00 H new ATOM 0 HB3 GLN A 229 -2.942 2.597 12.287 1.00 0.00 H new ATOM 0 HG2 GLN A 229 -3.806 0.566 11.025 1.00 0.00 H new ATOM 0 HG3 GLN A 229 -2.170 0.232 10.492 1.00 0.00 H new ATOM 0 HE21 GLN A 229 -0.529 0.491 12.632 1.00 0.00 H new ATOM 0 HE22 GLN A 229 -1.083 -0.458 14.015 1.00 0.00 H new ATOM 958 N GLN A 230 -1.512 4.991 10.074 1.00 0.00 N ATOM 959 CA GLN A 230 -1.335 6.450 10.281 1.00 0.00 C ATOM 960 C GLN A 230 -2.210 7.205 9.286 1.00 0.00 C ATOM 961 O GLN A 230 -2.583 8.343 9.510 1.00 0.00 O ATOM 962 CB GLN A 230 0.134 6.835 10.068 1.00 0.00 C ATOM 963 CG GLN A 230 0.305 8.328 10.333 1.00 0.00 C ATOM 964 CD GLN A 230 1.772 8.718 10.122 1.00 0.00 C ATOM 965 OE1 GLN A 230 2.395 8.302 9.163 1.00 0.00 O ATOM 966 NE2 GLN A 230 2.354 9.495 10.989 1.00 0.00 N ATOM 0 H GLN A 230 -0.707 4.507 9.677 1.00 0.00 H new ATOM 0 HA GLN A 230 -1.625 6.709 11.299 1.00 0.00 H new ATOM 0 HB2 GLN A 230 0.774 6.259 10.737 1.00 0.00 H new ATOM 0 HB3 GLN A 230 0.441 6.597 9.050 1.00 0.00 H new ATOM 0 HG2 GLN A 230 -0.335 8.903 9.664 1.00 0.00 H new ATOM 0 HG3 GLN A 230 -0.003 8.565 11.351 1.00 0.00 H new ATOM 0 HE21 GLN A 230 1.832 9.844 11.793 1.00 0.00 H new ATOM 0 HE22 GLN A 230 3.332 9.755 10.865 1.00 0.00 H new ATOM 975 N LEU A 231 -2.557 6.579 8.195 1.00 0.00 N ATOM 976 CA LEU A 231 -3.421 7.271 7.199 1.00 0.00 C ATOM 977 C LEU A 231 -4.754 7.627 7.866 1.00 0.00 C ATOM 978 O LEU A 231 -5.281 8.687 7.632 1.00 0.00 O ATOM 979 CB LEU A 231 -3.669 6.382 5.976 1.00 0.00 C ATOM 980 CG LEU A 231 -2.330 6.044 5.299 1.00 0.00 C ATOM 981 CD1 LEU A 231 -2.575 5.097 4.108 1.00 0.00 C ATOM 982 CD2 LEU A 231 -1.651 7.335 4.812 1.00 0.00 C ATOM 0 H LEU A 231 -2.282 5.627 7.952 1.00 0.00 H new ATOM 0 HA LEU A 231 -2.918 8.176 6.858 1.00 0.00 H new ATOM 0 HB2 LEU A 231 -4.176 5.466 6.278 1.00 0.00 H new ATOM 0 HB3 LEU A 231 -4.325 6.892 5.271 1.00 0.00 H new ATOM 0 HG LEU A 231 -1.678 5.550 6.019 1.00 0.00 H new ATOM 0 HD11 LEU A 231 -1.624 4.859 3.630 1.00 0.00 H new ATOM 0 HD12 LEU A 231 -3.042 4.179 4.464 1.00 0.00 H new ATOM 0 HD13 LEU A 231 -3.232 5.582 3.386 1.00 0.00 H new ATOM 0 HD21 LEU A 231 -0.703 7.089 4.333 1.00 0.00 H new ATOM 0 HD22 LEU A 231 -2.299 7.839 4.095 1.00 0.00 H new ATOM 0 HD23 LEU A 231 -1.469 7.993 5.662 1.00 0.00 H new ATOM 994 N ASP A 232 -5.262 6.736 8.711 1.00 0.00 N ATOM 995 CA ASP A 232 -6.548 6.946 9.481 1.00 0.00 C ATOM 996 C ASP A 232 -7.614 5.964 9.012 1.00 0.00 C ATOM 997 O ASP A 232 -7.607 5.516 7.884 1.00 0.00 O ATOM 998 CB ASP A 232 -7.115 8.363 9.348 1.00 0.00 C ATOM 999 CG ASP A 232 -8.290 8.540 10.298 1.00 0.00 C ATOM 1000 OD1 ASP A 232 -9.382 8.138 9.933 1.00 0.00 O ATOM 1001 OD2 ASP A 232 -8.080 9.090 11.372 1.00 0.00 O ATOM 0 H ASP A 232 -4.817 5.838 8.903 1.00 0.00 H new ATOM 0 HA ASP A 232 -6.293 6.782 10.528 1.00 0.00 H new ATOM 0 HB2 ASP A 232 -6.341 9.097 9.572 1.00 0.00 H new ATOM 0 HB3 ASP A 232 -7.436 8.541 8.322 1.00 0.00 H new ATOM 1006 N GLU A 233 -8.540 5.643 9.875 1.00 0.00 N ATOM 1007 CA GLU A 233 -9.624 4.704 9.494 1.00 0.00 C ATOM 1008 C GLU A 233 -10.392 5.309 8.314 1.00 0.00 C ATOM 1009 O GLU A 233 -10.885 4.608 7.459 1.00 0.00 O ATOM 1010 CB GLU A 233 -10.562 4.495 10.691 1.00 0.00 C ATOM 1011 CG GLU A 233 -9.822 3.714 11.790 1.00 0.00 C ATOM 1012 CD GLU A 233 -8.741 4.609 12.389 1.00 0.00 C ATOM 1013 OE1 GLU A 233 -9.106 5.568 13.049 1.00 0.00 O ATOM 1014 OE2 GLU A 233 -7.570 4.325 12.177 1.00 0.00 O ATOM 0 H GLU A 233 -8.589 5.995 10.831 1.00 0.00 H new ATOM 0 HA GLU A 233 -9.210 3.738 9.205 1.00 0.00 H new ATOM 0 HB2 GLU A 233 -10.897 5.458 11.077 1.00 0.00 H new ATOM 0 HB3 GLU A 233 -11.452 3.949 10.378 1.00 0.00 H new ATOM 0 HG2 GLU A 233 -10.521 3.398 12.564 1.00 0.00 H new ATOM 0 HG3 GLU A 233 -9.376 2.810 11.375 1.00 0.00 H new ATOM 1021 N ALA A 234 -10.481 6.613 8.247 1.00 0.00 N ATOM 1022 CA ALA A 234 -11.200 7.245 7.114 1.00 0.00 C ATOM 1023 C ALA A 234 -10.550 6.771 5.819 1.00 0.00 C ATOM 1024 O ALA A 234 -11.195 6.623 4.802 1.00 0.00 O ATOM 1025 CB ALA A 234 -11.069 8.763 7.211 1.00 0.00 C ATOM 0 H ALA A 234 -10.086 7.261 8.929 1.00 0.00 H new ATOM 0 HA ALA A 234 -12.255 6.973 7.137 1.00 0.00 H new ATOM 0 HB1 ALA A 234 -11.597 9.228 6.378 1.00 0.00 H new ATOM 0 HB2 ALA A 234 -11.500 9.106 8.151 1.00 0.00 H new ATOM 0 HB3 ALA A 234 -10.016 9.040 7.172 1.00 0.00 H new ATOM 1031 N MET A 235 -9.275 6.503 5.863 1.00 0.00 N ATOM 1032 CA MET A 235 -8.576 6.009 4.643 1.00 0.00 C ATOM 1033 C MET A 235 -9.232 4.709 4.212 1.00 0.00 C ATOM 1034 O MET A 235 -9.328 4.415 3.040 1.00 0.00 O ATOM 1035 CB MET A 235 -7.098 5.757 4.951 1.00 0.00 C ATOM 1036 CG MET A 235 -6.371 5.344 3.659 1.00 0.00 C ATOM 1037 SD MET A 235 -6.728 3.609 3.237 1.00 0.00 S ATOM 1038 CE MET A 235 -6.031 2.799 4.699 1.00 0.00 C ATOM 0 H MET A 235 -8.687 6.604 6.690 1.00 0.00 H new ATOM 0 HA MET A 235 -8.646 6.753 3.849 1.00 0.00 H new ATOM 0 HB2 MET A 235 -6.643 6.656 5.366 1.00 0.00 H new ATOM 0 HB3 MET A 235 -7.000 4.974 5.703 1.00 0.00 H new ATOM 0 HG2 MET A 235 -6.681 5.993 2.840 1.00 0.00 H new ATOM 0 HG3 MET A 235 -5.296 5.478 3.783 1.00 0.00 H new ATOM 0 HE1 MET A 235 -5.382 1.981 4.387 1.00 0.00 H new ATOM 0 HE2 MET A 235 -5.453 3.522 5.275 1.00 0.00 H new ATOM 0 HE3 MET A 235 -6.838 2.406 5.317 1.00 0.00 H new ATOM 1048 N VAL A 236 -9.700 3.932 5.141 1.00 0.00 N ATOM 1049 CA VAL A 236 -10.355 2.646 4.755 1.00 0.00 C ATOM 1050 C VAL A 236 -11.550 2.969 3.853 1.00 0.00 C ATOM 1051 O VAL A 236 -11.823 2.283 2.882 1.00 0.00 O ATOM 1052 CB VAL A 236 -10.830 1.895 6.008 1.00 0.00 C ATOM 1053 CG1 VAL A 236 -11.685 0.699 5.593 1.00 0.00 C ATOM 1054 CG2 VAL A 236 -9.612 1.404 6.789 1.00 0.00 C ATOM 0 H VAL A 236 -9.661 4.123 6.142 1.00 0.00 H new ATOM 0 HA VAL A 236 -9.645 2.010 4.226 1.00 0.00 H new ATOM 0 HB VAL A 236 -11.423 2.563 6.633 1.00 0.00 H new ATOM 0 HG11 VAL A 236 -12.022 0.166 6.482 1.00 0.00 H new ATOM 0 HG12 VAL A 236 -12.550 1.048 5.030 1.00 0.00 H new ATOM 0 HG13 VAL A 236 -11.094 0.028 4.970 1.00 0.00 H new ATOM 0 HG21 VAL A 236 -9.942 0.870 7.680 1.00 0.00 H new ATOM 0 HG22 VAL A 236 -9.023 0.734 6.162 1.00 0.00 H new ATOM 0 HG23 VAL A 236 -9.000 2.257 7.083 1.00 0.00 H new ATOM 1064 N VAL A 237 -12.253 4.018 4.162 1.00 0.00 N ATOM 1065 CA VAL A 237 -13.416 4.433 3.340 1.00 0.00 C ATOM 1066 C VAL A 237 -12.900 4.946 2.001 1.00 0.00 C ATOM 1067 O VAL A 237 -13.624 4.994 1.037 1.00 0.00 O ATOM 1068 CB VAL A 237 -14.180 5.545 4.075 1.00 0.00 C ATOM 1069 CG1 VAL A 237 -15.308 6.073 3.177 1.00 0.00 C ATOM 1070 CG2 VAL A 237 -14.773 4.989 5.377 1.00 0.00 C ATOM 0 H VAL A 237 -12.066 4.617 4.966 1.00 0.00 H new ATOM 0 HA VAL A 237 -14.090 3.592 3.174 1.00 0.00 H new ATOM 0 HB VAL A 237 -13.495 6.360 4.311 1.00 0.00 H new ATOM 0 HG11 VAL A 237 -15.850 6.862 3.699 1.00 0.00 H new ATOM 0 HG12 VAL A 237 -14.883 6.473 2.256 1.00 0.00 H new ATOM 0 HG13 VAL A 237 -15.993 5.260 2.937 1.00 0.00 H new ATOM 0 HG21 VAL A 237 -15.314 5.779 5.897 1.00 0.00 H new ATOM 0 HG22 VAL A 237 -15.457 4.172 5.146 1.00 0.00 H new ATOM 0 HG23 VAL A 237 -13.969 4.620 6.014 1.00 0.00 H new ATOM 1080 N ALA A 238 -11.652 5.331 1.929 1.00 0.00 N ATOM 1081 CA ALA A 238 -11.110 5.848 0.644 1.00 0.00 C ATOM 1082 C ALA A 238 -11.229 4.769 -0.436 1.00 0.00 C ATOM 1083 O ALA A 238 -11.551 5.054 -1.576 1.00 0.00 O ATOM 1084 CB ALA A 238 -9.644 6.239 0.826 1.00 0.00 C ATOM 0 H ALA A 238 -10.989 5.309 2.704 1.00 0.00 H new ATOM 0 HA ALA A 238 -11.680 6.725 0.338 1.00 0.00 H new ATOM 0 HB1 ALA A 238 -9.249 6.618 -0.117 1.00 0.00 H new ATOM 0 HB2 ALA A 238 -9.566 7.013 1.589 1.00 0.00 H new ATOM 0 HB3 ALA A 238 -9.070 5.365 1.135 1.00 0.00 H new