USER MOD reduce.3.24.130724 H: found=0, std=0, add=137, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 138 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 173 GLN : amide:sc=-0.00212 K(o=-0.0021,f=-0.83) USER MOD Single : A 181 GLN : amide:sc= -1.34 X(o=-1.3,f=-1.5) USER MOD Single : A 182 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 264 N LYS A 169 -11.001 -7.002 -0.517 1.00 0.00 N ATOM 265 CA LYS A 169 -9.850 -7.435 0.220 1.00 0.00 C ATOM 266 C LYS A 169 -8.787 -7.982 -0.723 1.00 0.00 C ATOM 267 O LYS A 169 -7.595 -7.942 -0.415 1.00 0.00 O ATOM 268 CB LYS A 169 -10.265 -8.460 1.271 1.00 0.00 C ATOM 269 CG LYS A 169 -9.206 -8.745 2.313 1.00 0.00 C ATOM 270 CD LYS A 169 -9.757 -9.623 3.409 1.00 0.00 C ATOM 271 CE LYS A 169 -8.775 -9.763 4.549 1.00 0.00 C ATOM 272 NZ LYS A 169 -9.358 -10.501 5.681 1.00 0.00 N ATOM 0 HA LYS A 169 -9.410 -6.583 0.739 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -11.165 -8.105 1.772 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -10.526 -9.392 0.770 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -8.351 -9.233 1.845 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -8.846 -7.808 2.738 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -10.691 -9.201 3.781 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -9.991 -10.608 3.005 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -7.882 -10.280 4.199 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -8.461 -8.774 4.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -8.656 -10.577 6.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -10.196 -9.994 6.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -9.635 -11.454 5.369 1.00 0.00 H new ATOM 286 N GLU A 170 -9.227 -8.461 -1.879 1.00 0.00 N ATOM 287 CA GLU A 170 -8.333 -8.912 -2.917 1.00 0.00 C ATOM 288 C GLU A 170 -7.413 -7.771 -3.321 1.00 0.00 C ATOM 289 O GLU A 170 -6.177 -7.877 -3.196 1.00 0.00 O ATOM 290 CB GLU A 170 -9.118 -9.392 -4.136 1.00 0.00 C ATOM 291 CG GLU A 170 -8.229 -9.702 -5.318 1.00 0.00 C ATOM 292 CD GLU A 170 -8.973 -10.173 -6.522 1.00 0.00 C ATOM 293 OE1 GLU A 170 -9.385 -9.337 -7.348 1.00 0.00 O ATOM 294 OE2 GLU A 170 -9.150 -11.380 -6.693 1.00 0.00 O ATOM 0 H GLU A 170 -10.216 -8.545 -2.116 1.00 0.00 H new ATOM 0 HA GLU A 170 -7.744 -9.746 -2.534 1.00 0.00 H new ATOM 0 HB2 GLU A 170 -9.685 -10.284 -3.870 1.00 0.00 H new ATOM 0 HB3 GLU A 170 -9.841 -8.628 -4.421 1.00 0.00 H new ATOM 0 HG2 GLU A 170 -7.662 -8.808 -5.579 1.00 0.00 H new ATOM 0 HG3 GLU A 170 -7.506 -10.464 -5.027 1.00 0.00 H new ATOM 301 N ALA A 171 -8.024 -6.683 -3.770 1.00 0.00 N ATOM 302 CA ALA A 171 -7.301 -5.486 -4.179 1.00 0.00 C ATOM 303 C ALA A 171 -6.502 -4.933 -3.025 1.00 0.00 C ATOM 304 O ALA A 171 -5.349 -4.555 -3.200 1.00 0.00 O ATOM 305 CB ALA A 171 -8.253 -4.426 -4.703 1.00 0.00 C ATOM 0 H ALA A 171 -9.037 -6.605 -3.861 1.00 0.00 H new ATOM 0 HA ALA A 171 -6.620 -5.765 -4.983 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -7.687 -3.544 -5.001 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -8.795 -4.817 -5.564 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -8.962 -4.155 -3.921 1.00 0.00 H new ATOM 311 N ALA A 172 -7.117 -4.936 -1.836 1.00 0.00 N ATOM 312 CA ALA A 172 -6.490 -4.436 -0.614 1.00 0.00 C ATOM 313 C ALA A 172 -5.157 -5.124 -0.371 1.00 0.00 C ATOM 314 O ALA A 172 -4.138 -4.466 -0.143 1.00 0.00 O ATOM 315 CB ALA A 172 -7.410 -4.643 0.573 1.00 0.00 C ATOM 0 H ALA A 172 -8.065 -5.286 -1.698 1.00 0.00 H new ATOM 0 HA ALA A 172 -6.308 -3.368 -0.736 1.00 0.00 H new ATOM 0 HB1 ALA A 172 -6.930 -4.266 1.476 1.00 0.00 H new ATOM 0 HB2 ALA A 172 -8.344 -4.106 0.407 1.00 0.00 H new ATOM 0 HB3 ALA A 172 -7.619 -5.706 0.690 1.00 0.00 H new ATOM 321 N GLN A 173 -5.163 -6.438 -0.457 1.00 0.00 N ATOM 322 CA GLN A 173 -3.959 -7.214 -0.289 1.00 0.00 C ATOM 323 C GLN A 173 -2.928 -6.892 -1.342 1.00 0.00 C ATOM 324 O GLN A 173 -1.863 -6.393 -1.019 1.00 0.00 O ATOM 325 CB GLN A 173 -4.251 -8.691 -0.332 1.00 0.00 C ATOM 326 CG GLN A 173 -4.954 -9.236 0.880 1.00 0.00 C ATOM 327 CD GLN A 173 -5.199 -10.716 0.752 1.00 0.00 C ATOM 328 OE1 GLN A 173 -5.394 -11.237 -0.350 1.00 0.00 O ATOM 329 NE2 GLN A 173 -5.169 -11.404 1.855 1.00 0.00 N ATOM 0 H GLN A 173 -5.999 -6.992 -0.644 1.00 0.00 H new ATOM 0 HA GLN A 173 -3.558 -6.948 0.689 1.00 0.00 H new ATOM 0 HB2 GLN A 173 -4.860 -8.900 -1.211 1.00 0.00 H new ATOM 0 HB3 GLN A 173 -3.311 -9.228 -0.460 1.00 0.00 H new ATOM 0 HG2 GLN A 173 -4.355 -9.040 1.769 1.00 0.00 H new ATOM 0 HG3 GLN A 173 -5.904 -8.719 1.015 1.00 0.00 H new ATOM 0 HE21 GLN A 173 -5.005 -10.934 2.745 1.00 0.00 H new ATOM 0 HE22 GLN A 173 -5.310 -12.414 1.830 1.00 0.00 H new ATOM 338 N LEU A 174 -3.266 -7.135 -2.605 1.00 0.00 N ATOM 339 CA LEU A 174 -2.313 -6.990 -3.691 1.00 0.00 C ATOM 340 C LEU A 174 -1.712 -5.591 -3.806 1.00 0.00 C ATOM 341 O LEU A 174 -0.544 -5.463 -4.125 1.00 0.00 O ATOM 342 CB LEU A 174 -2.881 -7.533 -5.022 1.00 0.00 C ATOM 343 CG LEU A 174 -4.187 -6.920 -5.549 1.00 0.00 C ATOM 344 CD1 LEU A 174 -3.958 -5.618 -6.314 1.00 0.00 C ATOM 345 CD2 LEU A 174 -4.948 -7.927 -6.383 1.00 0.00 C ATOM 0 H LEU A 174 -4.196 -7.434 -2.898 1.00 0.00 H new ATOM 0 HA LEU A 174 -1.460 -7.619 -3.436 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -2.117 -7.404 -5.789 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -3.038 -8.605 -4.906 1.00 0.00 H new ATOM 0 HG LEU A 174 -4.795 -6.660 -4.682 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -4.914 -5.229 -6.664 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -3.487 -4.887 -5.656 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -3.309 -5.808 -7.169 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -5.870 -7.475 -6.748 1.00 0.00 H new ATOM 0 HD22 LEU A 174 -4.335 -8.235 -7.230 1.00 0.00 H new ATOM 0 HD23 LEU A 174 -5.188 -8.798 -5.773 1.00 0.00 H new ATOM 357 N ARG A 175 -2.491 -4.547 -3.492 1.00 0.00 N ATOM 358 CA ARG A 175 -1.970 -3.185 -3.558 1.00 0.00 C ATOM 359 C ARG A 175 -0.895 -2.970 -2.483 1.00 0.00 C ATOM 360 O ARG A 175 0.166 -2.395 -2.747 1.00 0.00 O ATOM 361 CB ARG A 175 -3.087 -2.128 -3.451 1.00 0.00 C ATOM 362 CG ARG A 175 -3.817 -2.115 -2.137 1.00 0.00 C ATOM 363 CD ARG A 175 -4.907 -1.080 -2.115 1.00 0.00 C ATOM 364 NE ARG A 175 -5.642 -1.093 -0.845 1.00 0.00 N ATOM 365 CZ ARG A 175 -6.740 -0.379 -0.598 1.00 0.00 C ATOM 366 NH1 ARG A 175 -7.219 0.450 -1.510 1.00 0.00 N ATOM 367 NH2 ARG A 175 -7.351 -0.482 0.575 1.00 0.00 N ATOM 0 H ARG A 175 -3.464 -4.621 -3.196 1.00 0.00 H new ATOM 0 HA ARG A 175 -1.511 -3.056 -4.538 1.00 0.00 H new ATOM 0 HB2 ARG A 175 -2.653 -1.142 -3.620 1.00 0.00 H new ATOM 0 HB3 ARG A 175 -3.808 -2.300 -4.250 1.00 0.00 H new ATOM 0 HG2 ARG A 175 -4.246 -3.099 -1.950 1.00 0.00 H new ATOM 0 HG3 ARG A 175 -3.111 -1.917 -1.331 1.00 0.00 H new ATOM 0 HD2 ARG A 175 -4.474 -0.092 -2.275 1.00 0.00 H new ATOM 0 HD3 ARG A 175 -5.599 -1.262 -2.938 1.00 0.00 H new ATOM 0 HE ARG A 175 -5.288 -1.691 -0.098 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -6.748 0.546 -2.409 1.00 0.00 H new ATOM 0 HH12 ARG A 175 -8.060 0.993 -1.314 1.00 0.00 H new ATOM 0 HH21 ARG A 175 -6.981 -1.108 1.290 1.00 0.00 H new ATOM 0 HH22 ARG A 175 -8.191 0.065 0.762 1.00 0.00 H new ATOM 381 N GLU A 176 -1.157 -3.500 -1.304 1.00 0.00 N ATOM 382 CA GLU A 176 -0.254 -3.400 -0.192 1.00 0.00 C ATOM 383 C GLU A 176 0.975 -4.261 -0.482 1.00 0.00 C ATOM 384 O GLU A 176 2.111 -3.779 -0.463 1.00 0.00 O ATOM 385 CB GLU A 176 -0.970 -3.888 1.086 1.00 0.00 C ATOM 386 CG GLU A 176 -0.148 -3.812 2.367 1.00 0.00 C ATOM 387 CD GLU A 176 0.159 -2.401 2.806 1.00 0.00 C ATOM 388 OE1 GLU A 176 0.989 -1.740 2.182 1.00 0.00 O ATOM 389 OE2 GLU A 176 -0.379 -1.953 3.839 1.00 0.00 O ATOM 0 H GLU A 176 -2.013 -4.015 -1.097 1.00 0.00 H new ATOM 0 HA GLU A 176 0.060 -2.367 -0.043 1.00 0.00 H new ATOM 0 HB2 GLU A 176 -1.877 -3.299 1.221 1.00 0.00 H new ATOM 0 HB3 GLU A 176 -1.281 -4.922 0.935 1.00 0.00 H new ATOM 0 HG2 GLU A 176 -0.687 -4.323 3.165 1.00 0.00 H new ATOM 0 HG3 GLU A 176 0.789 -4.350 2.220 1.00 0.00 H new ATOM 396 N GLU A 177 0.725 -5.514 -0.839 1.00 0.00 N ATOM 397 CA GLU A 177 1.773 -6.493 -1.074 1.00 0.00 C ATOM 398 C GLU A 177 2.759 -6.068 -2.152 1.00 0.00 C ATOM 399 O GLU A 177 3.966 -6.251 -1.980 1.00 0.00 O ATOM 400 CB GLU A 177 1.197 -7.872 -1.400 1.00 0.00 C ATOM 401 CG GLU A 177 0.321 -8.457 -0.303 1.00 0.00 C ATOM 402 CD GLU A 177 0.998 -8.469 1.039 1.00 0.00 C ATOM 403 OE1 GLU A 177 2.064 -9.096 1.172 1.00 0.00 O ATOM 404 OE2 GLU A 177 0.466 -7.883 1.999 1.00 0.00 O ATOM 0 H GLU A 177 -0.217 -5.880 -0.974 1.00 0.00 H new ATOM 0 HA GLU A 177 2.327 -6.556 -0.138 1.00 0.00 H new ATOM 0 HB2 GLU A 177 0.613 -7.802 -2.317 1.00 0.00 H new ATOM 0 HB3 GLU A 177 2.019 -8.559 -1.598 1.00 0.00 H new ATOM 0 HG2 GLU A 177 -0.601 -7.880 -0.234 1.00 0.00 H new ATOM 0 HG3 GLU A 177 0.041 -9.475 -0.573 1.00 0.00 H new ATOM 411 N ARG A 178 2.259 -5.484 -3.243 1.00 0.00 N ATOM 412 CA ARG A 178 3.128 -5.047 -4.335 1.00 0.00 C ATOM 413 C ARG A 178 4.070 -3.932 -3.891 1.00 0.00 C ATOM 414 O ARG A 178 5.247 -3.928 -4.257 1.00 0.00 O ATOM 415 CB ARG A 178 2.331 -4.645 -5.592 1.00 0.00 C ATOM 416 CG ARG A 178 1.390 -3.464 -5.422 1.00 0.00 C ATOM 417 CD ARG A 178 0.540 -3.272 -6.654 1.00 0.00 C ATOM 418 NE ARG A 178 -0.500 -2.246 -6.476 1.00 0.00 N ATOM 419 CZ ARG A 178 -1.642 -2.203 -7.180 1.00 0.00 C ATOM 420 NH1 ARG A 178 -1.854 -3.071 -8.158 1.00 0.00 N ATOM 421 NH2 ARG A 178 -2.557 -1.277 -6.909 1.00 0.00 N ATOM 0 H ARG A 178 1.266 -5.304 -3.392 1.00 0.00 H new ATOM 0 HA ARG A 178 3.740 -5.906 -4.611 1.00 0.00 H new ATOM 0 HB2 ARG A 178 3.037 -4.412 -6.389 1.00 0.00 H new ATOM 0 HB3 ARG A 178 1.749 -5.506 -5.922 1.00 0.00 H new ATOM 0 HG2 ARG A 178 0.750 -3.626 -4.555 1.00 0.00 H new ATOM 0 HG3 ARG A 178 1.966 -2.559 -5.228 1.00 0.00 H new ATOM 0 HD2 ARG A 178 1.180 -2.993 -7.491 1.00 0.00 H new ATOM 0 HD3 ARG A 178 0.068 -4.219 -6.915 1.00 0.00 H new ATOM 0 HE ARG A 178 -0.343 -1.523 -5.774 1.00 0.00 H new ATOM 0 HH11 ARG A 178 -1.149 -3.774 -8.378 1.00 0.00 H new ATOM 0 HH12 ARG A 178 -2.723 -3.036 -8.691 1.00 0.00 H new ATOM 0 HH21 ARG A 178 -2.391 -0.599 -6.166 1.00 0.00 H new ATOM 0 HH22 ARG A 178 -3.425 -1.245 -7.445 1.00 0.00 H new ATOM 435 N LEU A 179 3.572 -3.023 -3.067 1.00 0.00 N ATOM 436 CA LEU A 179 4.396 -1.935 -2.578 1.00 0.00 C ATOM 437 C LEU A 179 5.395 -2.450 -1.558 1.00 0.00 C ATOM 438 O LEU A 179 6.571 -2.059 -1.562 1.00 0.00 O ATOM 439 CB LEU A 179 3.542 -0.819 -1.972 1.00 0.00 C ATOM 440 CG LEU A 179 2.513 -0.166 -2.901 1.00 0.00 C ATOM 441 CD1 LEU A 179 1.788 0.954 -2.180 1.00 0.00 C ATOM 442 CD2 LEU A 179 3.172 0.354 -4.174 1.00 0.00 C ATOM 0 H LEU A 179 2.610 -3.018 -2.727 1.00 0.00 H new ATOM 0 HA LEU A 179 4.939 -1.517 -3.426 1.00 0.00 H new ATOM 0 HB2 LEU A 179 3.014 -1.224 -1.109 1.00 0.00 H new ATOM 0 HB3 LEU A 179 4.210 -0.041 -1.602 1.00 0.00 H new ATOM 0 HG LEU A 179 1.786 -0.926 -3.188 1.00 0.00 H new ATOM 0 HD11 LEU A 179 1.060 1.408 -2.852 1.00 0.00 H new ATOM 0 HD12 LEU A 179 1.274 0.552 -1.307 1.00 0.00 H new ATOM 0 HD13 LEU A 179 2.508 1.708 -1.862 1.00 0.00 H new ATOM 0 HD21 LEU A 179 2.417 0.812 -4.813 1.00 0.00 H new ATOM 0 HD22 LEU A 179 3.927 1.096 -3.916 1.00 0.00 H new ATOM 0 HD23 LEU A 179 3.643 -0.474 -4.704 1.00 0.00 H new ATOM 454 N ARG A 180 4.943 -3.363 -0.716 1.00 0.00 N ATOM 455 CA ARG A 180 5.789 -3.938 0.318 1.00 0.00 C ATOM 456 C ARG A 180 6.909 -4.776 -0.284 1.00 0.00 C ATOM 457 O ARG A 180 8.039 -4.708 0.173 1.00 0.00 O ATOM 458 CB ARG A 180 4.981 -4.775 1.316 1.00 0.00 C ATOM 459 CG ARG A 180 3.875 -4.016 2.031 1.00 0.00 C ATOM 460 CD ARG A 180 4.395 -2.835 2.834 1.00 0.00 C ATOM 461 NE ARG A 180 3.289 -2.106 3.447 1.00 0.00 N ATOM 462 CZ ARG A 180 3.290 -1.540 4.651 1.00 0.00 C ATOM 463 NH1 ARG A 180 4.414 -1.450 5.366 1.00 0.00 N ATOM 464 NH2 ARG A 180 2.151 -1.042 5.136 1.00 0.00 N ATOM 0 H ARG A 180 3.989 -3.724 -0.728 1.00 0.00 H new ATOM 0 HA ARG A 180 6.234 -3.103 0.860 1.00 0.00 H new ATOM 0 HB2 ARG A 180 4.540 -5.620 0.788 1.00 0.00 H new ATOM 0 HB3 ARG A 180 5.662 -5.185 2.061 1.00 0.00 H new ATOM 0 HG2 ARG A 180 3.152 -3.660 1.297 1.00 0.00 H new ATOM 0 HG3 ARG A 180 3.345 -4.697 2.697 1.00 0.00 H new ATOM 0 HD2 ARG A 180 5.079 -3.186 3.606 1.00 0.00 H new ATOM 0 HD3 ARG A 180 4.962 -2.168 2.185 1.00 0.00 H new ATOM 0 HE ARG A 180 2.433 -2.022 2.899 1.00 0.00 H new ATOM 0 HH11 ARG A 180 5.288 -1.818 4.991 1.00 0.00 H new ATOM 0 HH12 ARG A 180 4.399 -1.013 6.288 1.00 0.00 H new ATOM 0 HH21 ARG A 180 1.294 -1.098 4.585 1.00 0.00 H new ATOM 0 HH22 ARG A 180 2.137 -0.605 6.058 1.00 0.00 H new ATOM 478 N GLN A 181 6.608 -5.549 -1.319 1.00 0.00 N ATOM 479 CA GLN A 181 7.634 -6.368 -1.927 1.00 0.00 C ATOM 480 C GLN A 181 8.688 -5.500 -2.599 1.00 0.00 C ATOM 481 O GLN A 181 9.884 -5.686 -2.383 1.00 0.00 O ATOM 482 CB GLN A 181 7.029 -7.460 -2.870 1.00 0.00 C ATOM 483 CG GLN A 181 6.322 -6.999 -4.166 1.00 0.00 C ATOM 484 CD GLN A 181 7.268 -6.643 -5.318 1.00 0.00 C ATOM 485 OE1 GLN A 181 8.362 -7.202 -5.444 1.00 0.00 O ATOM 486 NE2 GLN A 181 6.857 -5.723 -6.158 1.00 0.00 N ATOM 0 H GLN A 181 5.683 -5.623 -1.743 1.00 0.00 H new ATOM 0 HA GLN A 181 8.143 -6.922 -1.139 1.00 0.00 H new ATOM 0 HB2 GLN A 181 7.834 -8.138 -3.154 1.00 0.00 H new ATOM 0 HB3 GLN A 181 6.313 -8.041 -2.289 1.00 0.00 H new ATOM 0 HG2 GLN A 181 5.649 -7.789 -4.498 1.00 0.00 H new ATOM 0 HG3 GLN A 181 5.705 -6.130 -3.938 1.00 0.00 H new ATOM 0 HE21 GLN A 181 5.947 -5.281 -6.025 1.00 0.00 H new ATOM 0 HE22 GLN A 181 7.447 -5.450 -6.944 1.00 0.00 H new ATOM 495 N TYR A 182 8.232 -4.496 -3.309 1.00 0.00 N ATOM 496 CA TYR A 182 9.109 -3.655 -4.074 1.00 0.00 C ATOM 497 C TYR A 182 9.957 -2.734 -3.204 1.00 0.00 C ATOM 498 O TYR A 182 11.179 -2.817 -3.215 1.00 0.00 O ATOM 499 CB TYR A 182 8.320 -2.852 -5.115 1.00 0.00 C ATOM 500 CG TYR A 182 9.188 -1.935 -5.935 1.00 0.00 C ATOM 501 CD1 TYR A 182 10.122 -2.452 -6.810 1.00 0.00 C ATOM 502 CD2 TYR A 182 9.098 -0.560 -5.805 1.00 0.00 C ATOM 503 CE1 TYR A 182 10.941 -1.628 -7.541 1.00 0.00 C ATOM 504 CE2 TYR A 182 9.918 0.270 -6.530 1.00 0.00 C ATOM 505 CZ TYR A 182 10.838 -0.274 -7.397 1.00 0.00 C ATOM 506 OH TYR A 182 11.672 0.552 -8.117 1.00 0.00 O ATOM 0 H TYR A 182 7.246 -4.243 -3.370 1.00 0.00 H new ATOM 0 HA TYR A 182 9.803 -4.316 -4.592 1.00 0.00 H new ATOM 0 HB2 TYR A 182 7.801 -3.542 -5.780 1.00 0.00 H new ATOM 0 HB3 TYR A 182 7.556 -2.262 -4.608 1.00 0.00 H new ATOM 0 HD1 TYR A 182 10.210 -3.523 -6.921 1.00 0.00 H new ATOM 0 HD2 TYR A 182 8.374 -0.135 -5.125 1.00 0.00 H new ATOM 0 HE1 TYR A 182 11.663 -2.048 -8.226 1.00 0.00 H new ATOM 0 HE2 TYR A 182 9.841 1.342 -6.420 1.00 0.00 H new ATOM 0 HH TYR A 182 11.471 1.487 -7.902 1.00 0.00 H new ATOM 516 N ALA A 183 9.316 -1.873 -2.460 1.00 0.00 N ATOM 517 CA ALA A 183 10.037 -0.876 -1.702 1.00 0.00 C ATOM 518 C ALA A 183 10.561 -1.420 -0.384 1.00 0.00 C ATOM 519 O ALA A 183 11.711 -1.182 -0.016 1.00 0.00 O ATOM 520 CB ALA A 183 9.163 0.348 -1.468 1.00 0.00 C ATOM 0 H ALA A 183 8.302 -1.838 -2.360 1.00 0.00 H new ATOM 0 HA ALA A 183 10.905 -0.585 -2.294 1.00 0.00 H new ATOM 0 HB1 ALA A 183 9.721 1.089 -0.896 1.00 0.00 H new ATOM 0 HB2 ALA A 183 8.870 0.775 -2.427 1.00 0.00 H new ATOM 0 HB3 ALA A 183 8.271 0.057 -0.913 1.00 0.00 H new ATOM 526 N GLU A 184 9.752 -2.197 0.295 1.00 0.00 N ATOM 527 CA GLU A 184 10.083 -2.603 1.642 1.00 0.00 C ATOM 528 C GLU A 184 11.021 -3.824 1.678 1.00 0.00 C ATOM 529 O GLU A 184 11.860 -3.936 2.584 1.00 0.00 O ATOM 530 CB GLU A 184 8.807 -2.811 2.454 1.00 0.00 C ATOM 531 CG GLU A 184 9.012 -2.904 3.949 1.00 0.00 C ATOM 532 CD GLU A 184 7.706 -2.995 4.686 1.00 0.00 C ATOM 533 OE1 GLU A 184 6.967 -1.982 4.731 1.00 0.00 O ATOM 534 OE2 GLU A 184 7.396 -4.059 5.241 1.00 0.00 O ATOM 0 H GLU A 184 8.866 -2.559 -0.058 1.00 0.00 H new ATOM 0 HA GLU A 184 10.649 -1.798 2.110 1.00 0.00 H new ATOM 0 HB2 GLU A 184 8.123 -1.988 2.246 1.00 0.00 H new ATOM 0 HB3 GLU A 184 8.320 -3.724 2.111 1.00 0.00 H new ATOM 0 HG2 GLU A 184 9.621 -3.778 4.179 1.00 0.00 H new ATOM 0 HG3 GLU A 184 9.565 -2.031 4.295 1.00 0.00 H new