USER MOD reduce.3.24.130724 H: found=0, std=0, add=137, rem=0, adj=2 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+ -109:sc= -1.43 (180deg=-3.62!) USER MOD Single : A 173 GLN : amide:sc= -0.968 K(o=-0.97,f=-2.3) USER MOD Single : A 181 GLN : amide:sc= -1.39! X(o=-1.4!,f=-1.1) USER MOD Single : A 182 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 264 N LYS A 169 -11.285 -5.744 -1.252 1.00 0.00 N ATOM 265 CA LYS A 169 -10.473 -6.360 -0.208 1.00 0.00 C ATOM 266 C LYS A 169 -9.244 -7.099 -0.732 1.00 0.00 C ATOM 267 O LYS A 169 -8.118 -6.825 -0.298 1.00 0.00 O ATOM 268 CB LYS A 169 -11.353 -7.311 0.545 1.00 0.00 C ATOM 269 CG LYS A 169 -10.801 -7.831 1.833 1.00 0.00 C ATOM 270 CD LYS A 169 -11.790 -8.770 2.530 1.00 0.00 C ATOM 271 CE LYS A 169 -13.154 -8.114 2.863 1.00 0.00 C ATOM 272 NZ LYS A 169 -14.079 -7.980 1.694 1.00 0.00 N ATOM 0 HA LYS A 169 -10.086 -5.564 0.428 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -12.300 -6.812 0.753 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -11.575 -8.160 -0.102 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -9.868 -8.361 1.642 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -10.565 -6.996 2.492 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -11.962 -9.638 1.893 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -11.339 -9.136 3.453 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -13.648 -8.704 3.635 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -12.974 -7.125 3.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -14.156 -6.978 1.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -13.706 -8.526 0.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -15.019 -8.343 1.952 1.00 0.00 H new ATOM 286 N GLU A 170 -9.443 -8.012 -1.646 1.00 0.00 N ATOM 287 CA GLU A 170 -8.350 -8.759 -2.200 1.00 0.00 C ATOM 288 C GLU A 170 -7.452 -7.914 -3.096 1.00 0.00 C ATOM 289 O GLU A 170 -6.233 -8.119 -3.108 1.00 0.00 O ATOM 290 CB GLU A 170 -8.793 -10.063 -2.873 1.00 0.00 C ATOM 291 CG GLU A 170 -9.987 -9.951 -3.803 1.00 0.00 C ATOM 292 CD GLU A 170 -11.292 -9.952 -3.044 1.00 0.00 C ATOM 293 OE1 GLU A 170 -11.820 -11.041 -2.760 1.00 0.00 O ATOM 294 OE2 GLU A 170 -11.794 -8.872 -2.698 1.00 0.00 O ATOM 0 H GLU A 170 -10.359 -8.256 -2.023 1.00 0.00 H new ATOM 0 HA GLU A 170 -7.737 -9.057 -1.349 1.00 0.00 H new ATOM 0 HB2 GLU A 170 -7.951 -10.462 -3.439 1.00 0.00 H new ATOM 0 HB3 GLU A 170 -9.028 -10.790 -2.096 1.00 0.00 H new ATOM 0 HG2 GLU A 170 -9.907 -9.034 -4.388 1.00 0.00 H new ATOM 0 HG3 GLU A 170 -9.977 -10.781 -4.509 1.00 0.00 H new ATOM 301 N ALA A 171 -8.019 -6.948 -3.817 1.00 0.00 N ATOM 302 CA ALA A 171 -7.186 -6.049 -4.609 1.00 0.00 C ATOM 303 C ALA A 171 -6.376 -5.154 -3.687 1.00 0.00 C ATOM 304 O ALA A 171 -5.228 -4.830 -3.966 1.00 0.00 O ATOM 305 CB ALA A 171 -7.997 -5.213 -5.569 1.00 0.00 C ATOM 0 H ALA A 171 -9.022 -6.771 -3.869 1.00 0.00 H new ATOM 0 HA ALA A 171 -6.515 -6.664 -5.209 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -7.332 -4.561 -6.135 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -8.535 -5.867 -6.256 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -8.711 -4.607 -5.011 1.00 0.00 H new ATOM 311 N ALA A 172 -6.987 -4.771 -2.580 1.00 0.00 N ATOM 312 CA ALA A 172 -6.343 -3.980 -1.553 1.00 0.00 C ATOM 313 C ALA A 172 -5.217 -4.778 -0.925 1.00 0.00 C ATOM 314 O ALA A 172 -4.153 -4.249 -0.634 1.00 0.00 O ATOM 315 CB ALA A 172 -7.349 -3.545 -0.496 1.00 0.00 C ATOM 0 H ALA A 172 -7.957 -5.005 -2.369 1.00 0.00 H new ATOM 0 HA ALA A 172 -5.928 -3.081 -2.009 1.00 0.00 H new ATOM 0 HB1 ALA A 172 -6.843 -2.952 0.266 1.00 0.00 H new ATOM 0 HB2 ALA A 172 -8.131 -2.946 -0.963 1.00 0.00 H new ATOM 0 HB3 ALA A 172 -7.794 -4.426 -0.033 1.00 0.00 H new ATOM 321 N GLN A 173 -5.450 -6.064 -0.763 1.00 0.00 N ATOM 322 CA GLN A 173 -4.461 -6.965 -0.215 1.00 0.00 C ATOM 323 C GLN A 173 -3.268 -7.000 -1.165 1.00 0.00 C ATOM 324 O GLN A 173 -2.162 -6.641 -0.782 1.00 0.00 O ATOM 325 CB GLN A 173 -5.081 -8.379 -0.032 1.00 0.00 C ATOM 326 CG GLN A 173 -4.280 -9.398 0.815 1.00 0.00 C ATOM 327 CD GLN A 173 -2.930 -9.803 0.240 1.00 0.00 C ATOM 328 OE1 GLN A 173 -1.901 -9.210 0.542 1.00 0.00 O ATOM 329 NE2 GLN A 173 -2.923 -10.801 -0.585 1.00 0.00 N ATOM 0 H GLN A 173 -6.332 -6.513 -1.008 1.00 0.00 H new ATOM 0 HA GLN A 173 -4.128 -6.622 0.765 1.00 0.00 H new ATOM 0 HB2 GLN A 173 -6.064 -8.260 0.423 1.00 0.00 H new ATOM 0 HB3 GLN A 173 -5.237 -8.810 -1.021 1.00 0.00 H new ATOM 0 HG2 GLN A 173 -4.122 -8.976 1.807 1.00 0.00 H new ATOM 0 HG3 GLN A 173 -4.886 -10.295 0.943 1.00 0.00 H new ATOM 0 HE21 GLN A 173 -3.795 -11.276 -0.818 1.00 0.00 H new ATOM 0 HE22 GLN A 173 -2.045 -11.112 -1.002 1.00 0.00 H new ATOM 338 N LEU A 174 -3.506 -7.356 -2.419 1.00 0.00 N ATOM 339 CA LEU A 174 -2.422 -7.469 -3.378 1.00 0.00 C ATOM 340 C LEU A 174 -1.733 -6.129 -3.677 1.00 0.00 C ATOM 341 O LEU A 174 -0.532 -6.107 -3.962 1.00 0.00 O ATOM 342 CB LEU A 174 -2.866 -8.224 -4.643 1.00 0.00 C ATOM 343 CG LEU A 174 -4.042 -7.648 -5.433 1.00 0.00 C ATOM 344 CD1 LEU A 174 -3.621 -6.524 -6.370 1.00 0.00 C ATOM 345 CD2 LEU A 174 -4.780 -8.740 -6.166 1.00 0.00 C ATOM 0 H LEU A 174 -4.431 -7.569 -2.792 1.00 0.00 H new ATOM 0 HA LEU A 174 -1.648 -8.075 -2.908 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -2.010 -8.289 -5.314 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -3.122 -9.243 -4.354 1.00 0.00 H new ATOM 0 HG LEU A 174 -4.727 -7.201 -4.712 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -4.494 -6.151 -6.906 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -3.178 -5.714 -5.791 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -2.890 -6.901 -7.085 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -5.612 -8.307 -6.721 1.00 0.00 H new ATOM 0 HD22 LEU A 174 -4.101 -9.236 -6.859 1.00 0.00 H new ATOM 0 HD23 LEU A 174 -5.161 -9.467 -5.448 1.00 0.00 H new ATOM 357 N ARG A 175 -2.470 -5.010 -3.581 1.00 0.00 N ATOM 358 CA ARG A 175 -1.859 -3.708 -3.807 1.00 0.00 C ATOM 359 C ARG A 175 -0.897 -3.389 -2.662 1.00 0.00 C ATOM 360 O ARG A 175 0.118 -2.746 -2.859 1.00 0.00 O ATOM 361 CB ARG A 175 -2.892 -2.564 -4.006 1.00 0.00 C ATOM 362 CG ARG A 175 -3.572 -2.115 -2.739 1.00 0.00 C ATOM 363 CD ARG A 175 -4.611 -1.024 -2.973 1.00 0.00 C ATOM 364 NE ARG A 175 -5.760 -1.470 -3.787 1.00 0.00 N ATOM 365 CZ ARG A 175 -7.054 -1.145 -3.544 1.00 0.00 C ATOM 366 NH1 ARG A 175 -7.379 -0.410 -2.471 1.00 0.00 N ATOM 367 NH2 ARG A 175 -8.006 -1.556 -4.371 1.00 0.00 N ATOM 0 H ARG A 175 -3.464 -4.988 -3.354 1.00 0.00 H new ATOM 0 HA ARG A 175 -1.308 -3.769 -4.746 1.00 0.00 H new ATOM 0 HB2 ARG A 175 -2.387 -1.709 -4.456 1.00 0.00 H new ATOM 0 HB3 ARG A 175 -3.651 -2.895 -4.714 1.00 0.00 H new ATOM 0 HG2 ARG A 175 -4.054 -2.972 -2.269 1.00 0.00 H new ATOM 0 HG3 ARG A 175 -2.820 -1.749 -2.040 1.00 0.00 H new ATOM 0 HD2 ARG A 175 -4.975 -0.667 -2.010 1.00 0.00 H new ATOM 0 HD3 ARG A 175 -4.133 -0.178 -3.466 1.00 0.00 H new ATOM 0 HE ARG A 175 -5.566 -2.066 -4.591 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -6.651 -0.092 -1.831 1.00 0.00 H new ATOM 0 HH12 ARG A 175 -8.354 -0.169 -2.294 1.00 0.00 H new ATOM 0 HH21 ARG A 175 -7.764 -2.116 -5.189 1.00 0.00 H new ATOM 0 HH22 ARG A 175 -8.980 -1.312 -4.189 1.00 0.00 H new ATOM 381 N GLU A 176 -1.207 -3.880 -1.472 1.00 0.00 N ATOM 382 CA GLU A 176 -0.342 -3.686 -0.339 1.00 0.00 C ATOM 383 C GLU A 176 0.770 -4.720 -0.323 1.00 0.00 C ATOM 384 O GLU A 176 1.888 -4.435 0.106 1.00 0.00 O ATOM 385 CB GLU A 176 -1.112 -3.690 0.972 1.00 0.00 C ATOM 386 CG GLU A 176 -2.043 -2.502 1.136 1.00 0.00 C ATOM 387 CD GLU A 176 -2.547 -2.369 2.545 1.00 0.00 C ATOM 388 OE1 GLU A 176 -1.773 -1.896 3.410 1.00 0.00 O ATOM 389 OE2 GLU A 176 -3.705 -2.700 2.821 1.00 0.00 O ATOM 0 H GLU A 176 -2.053 -4.414 -1.275 1.00 0.00 H new ATOM 0 HA GLU A 176 0.110 -2.700 -0.442 1.00 0.00 H new ATOM 0 HB2 GLU A 176 -1.695 -4.609 1.038 1.00 0.00 H new ATOM 0 HB3 GLU A 176 -0.403 -3.702 1.800 1.00 0.00 H new ATOM 0 HG2 GLU A 176 -1.519 -1.590 0.851 1.00 0.00 H new ATOM 0 HG3 GLU A 176 -2.889 -2.609 0.457 1.00 0.00 H new ATOM 396 N GLU A 177 0.466 -5.900 -0.811 1.00 0.00 N ATOM 397 CA GLU A 177 1.415 -6.992 -0.923 1.00 0.00 C ATOM 398 C GLU A 177 2.539 -6.566 -1.871 1.00 0.00 C ATOM 399 O GLU A 177 3.726 -6.685 -1.547 1.00 0.00 O ATOM 400 CB GLU A 177 0.667 -8.219 -1.441 1.00 0.00 C ATOM 401 CG GLU A 177 1.327 -9.587 -1.242 1.00 0.00 C ATOM 402 CD GLU A 177 2.571 -9.811 -2.050 1.00 0.00 C ATOM 403 OE1 GLU A 177 2.480 -9.842 -3.299 1.00 0.00 O ATOM 404 OE2 GLU A 177 3.643 -10.043 -1.463 1.00 0.00 O ATOM 0 H GLU A 177 -0.467 -6.136 -1.149 1.00 0.00 H new ATOM 0 HA GLU A 177 1.862 -7.241 0.039 1.00 0.00 H new ATOM 0 HB2 GLU A 177 -0.311 -8.244 -0.960 1.00 0.00 H new ATOM 0 HB3 GLU A 177 0.494 -8.081 -2.508 1.00 0.00 H new ATOM 0 HG2 GLU A 177 1.570 -9.707 -0.186 1.00 0.00 H new ATOM 0 HG3 GLU A 177 0.604 -10.363 -1.492 1.00 0.00 H new ATOM 411 N ARG A 178 2.156 -6.003 -3.019 1.00 0.00 N ATOM 412 CA ARG A 178 3.130 -5.500 -3.978 1.00 0.00 C ATOM 413 C ARG A 178 3.884 -4.303 -3.384 1.00 0.00 C ATOM 414 O ARG A 178 5.067 -4.145 -3.625 1.00 0.00 O ATOM 415 CB ARG A 178 2.472 -5.113 -5.333 1.00 0.00 C ATOM 416 CG ARG A 178 1.583 -3.880 -5.267 1.00 0.00 C ATOM 417 CD ARG A 178 0.902 -3.544 -6.585 1.00 0.00 C ATOM 418 NE ARG A 178 0.096 -2.315 -6.451 1.00 0.00 N ATOM 419 CZ ARG A 178 -0.850 -1.880 -7.311 1.00 0.00 C ATOM 420 NH1 ARG A 178 -1.145 -2.581 -8.414 1.00 0.00 N ATOM 421 NH2 ARG A 178 -1.494 -0.744 -7.054 1.00 0.00 N ATOM 0 H ARG A 178 1.183 -5.886 -3.302 1.00 0.00 H new ATOM 0 HA ARG A 178 3.836 -6.304 -4.183 1.00 0.00 H new ATOM 0 HB2 ARG A 178 3.257 -4.941 -6.069 1.00 0.00 H new ATOM 0 HB3 ARG A 178 1.879 -5.955 -5.690 1.00 0.00 H new ATOM 0 HG2 ARG A 178 0.820 -4.034 -4.503 1.00 0.00 H new ATOM 0 HG3 ARG A 178 2.183 -3.027 -4.951 1.00 0.00 H new ATOM 0 HD2 ARG A 178 1.652 -3.411 -7.365 1.00 0.00 H new ATOM 0 HD3 ARG A 178 0.264 -4.372 -6.893 1.00 0.00 H new ATOM 0 HE ARG A 178 0.271 -1.738 -5.628 1.00 0.00 H new ATOM 0 HH11 ARG A 178 -0.653 -3.453 -8.611 1.00 0.00 H new ATOM 0 HH12 ARG A 178 -1.861 -2.243 -9.057 1.00 0.00 H new ATOM 0 HH21 ARG A 178 -1.271 -0.210 -6.214 1.00 0.00 H new ATOM 0 HH22 ARG A 178 -2.210 -0.407 -7.697 1.00 0.00 H new ATOM 435 N LEU A 179 3.184 -3.500 -2.572 1.00 0.00 N ATOM 436 CA LEU A 179 3.752 -2.311 -1.938 1.00 0.00 C ATOM 437 C LEU A 179 4.874 -2.707 -0.983 1.00 0.00 C ATOM 438 O LEU A 179 5.963 -2.131 -1.028 1.00 0.00 O ATOM 439 CB LEU A 179 2.615 -1.513 -1.209 1.00 0.00 C ATOM 440 CG LEU A 179 2.942 -0.145 -0.528 1.00 0.00 C ATOM 441 CD1 LEU A 179 3.718 -0.299 0.780 1.00 0.00 C ATOM 442 CD2 LEU A 179 3.692 0.766 -1.486 1.00 0.00 C ATOM 0 H LEU A 179 2.204 -3.661 -2.338 1.00 0.00 H new ATOM 0 HA LEU A 179 4.188 -1.660 -2.696 1.00 0.00 H new ATOM 0 HB2 LEU A 179 1.825 -1.333 -1.938 1.00 0.00 H new ATOM 0 HB3 LEU A 179 2.199 -2.167 -0.443 1.00 0.00 H new ATOM 0 HG LEU A 179 1.985 0.310 -0.274 1.00 0.00 H new ATOM 0 HD11 LEU A 179 3.915 0.686 1.204 1.00 0.00 H new ATOM 0 HD12 LEU A 179 3.130 -0.887 1.485 1.00 0.00 H new ATOM 0 HD13 LEU A 179 4.663 -0.805 0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 179 3.910 1.713 -0.992 1.00 0.00 H new ATOM 0 HD22 LEU A 179 4.626 0.290 -1.785 1.00 0.00 H new ATOM 0 HD23 LEU A 179 3.079 0.950 -2.368 1.00 0.00 H new ATOM 454 N ARG A 180 4.605 -3.705 -0.149 1.00 0.00 N ATOM 455 CA ARG A 180 5.573 -4.169 0.840 1.00 0.00 C ATOM 456 C ARG A 180 6.872 -4.596 0.216 1.00 0.00 C ATOM 457 O ARG A 180 7.913 -4.063 0.565 1.00 0.00 O ATOM 458 CB ARG A 180 5.021 -5.284 1.737 1.00 0.00 C ATOM 459 CG ARG A 180 4.389 -4.812 3.045 1.00 0.00 C ATOM 460 CD ARG A 180 3.236 -3.856 2.837 1.00 0.00 C ATOM 461 NE ARG A 180 2.621 -3.475 4.106 1.00 0.00 N ATOM 462 CZ ARG A 180 1.429 -2.911 4.242 1.00 0.00 C ATOM 463 NH1 ARG A 180 0.783 -2.469 3.184 1.00 0.00 N ATOM 464 NH2 ARG A 180 0.913 -2.741 5.447 1.00 0.00 N ATOM 0 H ARG A 180 3.720 -4.211 -0.138 1.00 0.00 H new ATOM 0 HA ARG A 180 5.771 -3.304 1.474 1.00 0.00 H new ATOM 0 HB2 ARG A 180 4.276 -5.846 1.174 1.00 0.00 H new ATOM 0 HB3 ARG A 180 5.831 -5.974 1.972 1.00 0.00 H new ATOM 0 HG2 ARG A 180 4.038 -5.679 3.605 1.00 0.00 H new ATOM 0 HG3 ARG A 180 5.151 -4.326 3.655 1.00 0.00 H new ATOM 0 HD2 ARG A 180 3.590 -2.964 2.321 1.00 0.00 H new ATOM 0 HD3 ARG A 180 2.488 -4.320 2.194 1.00 0.00 H new ATOM 0 HE ARG A 180 3.152 -3.658 4.957 1.00 0.00 H new ATOM 0 HH11 ARG A 180 1.199 -2.560 2.257 1.00 0.00 H new ATOM 0 HH12 ARG A 180 -0.134 -2.035 3.291 1.00 0.00 H new ATOM 0 HH21 ARG A 180 1.432 -3.044 6.271 1.00 0.00 H new ATOM 0 HH22 ARG A 180 -0.004 -2.307 5.553 1.00 0.00 H new ATOM 478 N GLN A 181 6.815 -5.507 -0.734 1.00 0.00 N ATOM 479 CA GLN A 181 8.019 -6.013 -1.357 1.00 0.00 C ATOM 480 C GLN A 181 8.741 -4.926 -2.148 1.00 0.00 C ATOM 481 O GLN A 181 9.958 -4.814 -2.073 1.00 0.00 O ATOM 482 CB GLN A 181 7.722 -7.235 -2.219 1.00 0.00 C ATOM 483 CG GLN A 181 6.765 -7.000 -3.372 1.00 0.00 C ATOM 484 CD GLN A 181 6.606 -8.232 -4.223 1.00 0.00 C ATOM 485 OE1 GLN A 181 7.517 -9.048 -4.329 1.00 0.00 O ATOM 486 NE2 GLN A 181 5.463 -8.399 -4.822 1.00 0.00 N ATOM 0 H GLN A 181 5.949 -5.911 -1.090 1.00 0.00 H new ATOM 0 HA GLN A 181 8.693 -6.330 -0.562 1.00 0.00 H new ATOM 0 HB2 GLN A 181 8.662 -7.613 -2.621 1.00 0.00 H new ATOM 0 HB3 GLN A 181 7.311 -8.017 -1.581 1.00 0.00 H new ATOM 0 HG2 GLN A 181 5.793 -6.699 -2.982 1.00 0.00 H new ATOM 0 HG3 GLN A 181 7.131 -6.178 -3.987 1.00 0.00 H new ATOM 0 HE21 GLN A 181 4.725 -7.703 -4.715 1.00 0.00 H new ATOM 0 HE22 GLN A 181 5.305 -9.226 -5.399 1.00 0.00 H new ATOM 495 N TYR A 182 7.968 -4.099 -2.840 1.00 0.00 N ATOM 496 CA TYR A 182 8.480 -2.995 -3.660 1.00 0.00 C ATOM 497 C TYR A 182 9.326 -2.043 -2.822 1.00 0.00 C ATOM 498 O TYR A 182 10.392 -1.593 -3.254 1.00 0.00 O ATOM 499 CB TYR A 182 7.291 -2.254 -4.300 1.00 0.00 C ATOM 500 CG TYR A 182 7.620 -1.049 -5.154 1.00 0.00 C ATOM 501 CD1 TYR A 182 8.196 -1.191 -6.408 1.00 0.00 C ATOM 502 CD2 TYR A 182 7.327 0.235 -4.712 1.00 0.00 C ATOM 503 CE1 TYR A 182 8.478 -0.091 -7.190 1.00 0.00 C ATOM 504 CE2 TYR A 182 7.602 1.336 -5.491 1.00 0.00 C ATOM 505 CZ TYR A 182 8.178 1.168 -6.730 1.00 0.00 C ATOM 506 OH TYR A 182 8.457 2.268 -7.506 1.00 0.00 O ATOM 0 H TYR A 182 6.951 -4.173 -2.851 1.00 0.00 H new ATOM 0 HA TYR A 182 9.121 -3.395 -4.445 1.00 0.00 H new ATOM 0 HB2 TYR A 182 6.738 -2.965 -4.914 1.00 0.00 H new ATOM 0 HB3 TYR A 182 6.621 -1.933 -3.502 1.00 0.00 H new ATOM 0 HD1 TYR A 182 8.427 -2.179 -6.778 1.00 0.00 H new ATOM 0 HD2 TYR A 182 6.876 0.372 -3.740 1.00 0.00 H new ATOM 0 HE1 TYR A 182 8.933 -0.219 -8.161 1.00 0.00 H new ATOM 0 HE2 TYR A 182 7.367 2.327 -5.132 1.00 0.00 H new ATOM 0 HH TYR A 182 8.181 3.081 -7.033 1.00 0.00 H new ATOM 516 N ALA A 183 8.862 -1.760 -1.632 1.00 0.00 N ATOM 517 CA ALA A 183 9.561 -0.870 -0.734 1.00 0.00 C ATOM 518 C ALA A 183 10.674 -1.597 0.026 1.00 0.00 C ATOM 519 O ALA A 183 11.792 -1.091 0.139 1.00 0.00 O ATOM 520 CB ALA A 183 8.577 -0.237 0.238 1.00 0.00 C ATOM 0 H ALA A 183 7.992 -2.137 -1.257 1.00 0.00 H new ATOM 0 HA ALA A 183 10.030 -0.087 -1.330 1.00 0.00 H new ATOM 0 HB1 ALA A 183 9.111 0.433 0.912 1.00 0.00 H new ATOM 0 HB2 ALA A 183 7.829 0.328 -0.318 1.00 0.00 H new ATOM 0 HB3 ALA A 183 8.085 -1.018 0.818 1.00 0.00 H new ATOM 526 N GLU A 184 10.373 -2.792 0.506 1.00 0.00 N ATOM 527 CA GLU A 184 11.286 -3.559 1.348 1.00 0.00 C ATOM 528 C GLU A 184 12.544 -4.000 0.606 1.00 0.00 C ATOM 529 O GLU A 184 13.643 -3.979 1.180 1.00 0.00 O ATOM 530 CB GLU A 184 10.592 -4.788 1.924 1.00 0.00 C ATOM 531 CG GLU A 184 11.424 -5.532 2.950 1.00 0.00 C ATOM 532 CD GLU A 184 10.800 -6.821 3.376 1.00 0.00 C ATOM 533 OE1 GLU A 184 9.720 -6.797 4.003 1.00 0.00 O ATOM 534 OE2 GLU A 184 11.378 -7.892 3.097 1.00 0.00 O ATOM 0 H GLU A 184 9.486 -3.262 0.324 1.00 0.00 H new ATOM 0 HA GLU A 184 11.587 -2.889 2.154 1.00 0.00 H new ATOM 0 HB2 GLU A 184 9.652 -4.482 2.384 1.00 0.00 H new ATOM 0 HB3 GLU A 184 10.342 -5.468 1.110 1.00 0.00 H new ATOM 0 HG2 GLU A 184 12.412 -5.731 2.535 1.00 0.00 H new ATOM 0 HG3 GLU A 184 11.568 -4.897 3.824 1.00 0.00 H new