USER MOD reduce.3.24.130724 H: found=0, std=0, add=333, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 333 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 173 HIS : +bothHN:sc= -2.6! C(o=-2.2!,f=-6.4!) USER MOD Set 1.2: B 172 SER OG : rot 73:sc= 0.353 USER MOD Set 2.1: A 172 SER OG : rot -114:sc= 0.218 USER MOD Set 2.2: B 173 HIS : no HE2:sc= -1.87! C(o=-1.7!,f=-7.1!) USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD Single : A 182 TYR OH : rot 180:sc= 0 USER MOD Single : B 168 SER OG : rot 180:sc= 0 USER MOD Single : B 182 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 208 N PRO A 167 5.719 8.799 2.292 1.00 0.73 N ATOM 209 CA PRO A 167 4.588 9.334 1.524 1.00 0.67 C ATOM 210 C PRO A 167 4.166 8.405 0.391 1.00 0.55 C ATOM 211 O PRO A 167 3.036 8.473 -0.091 1.00 0.58 O ATOM 212 CB PRO A 167 5.120 10.656 0.958 1.00 0.86 C ATOM 213 CG PRO A 167 6.602 10.530 1.014 1.00 0.98 C ATOM 214 CD PRO A 167 6.897 9.680 2.215 1.00 0.91 C ATOM 0 HA PRO A 167 3.701 9.452 2.146 1.00 0.67 H new ATOM 0 HB2 PRO A 167 4.776 10.815 -0.064 1.00 0.86 H new ATOM 0 HB3 PRO A 167 4.774 11.505 1.547 1.00 0.86 H new ATOM 0 HG2 PRO A 167 6.990 10.070 0.105 1.00 0.98 H new ATOM 0 HG3 PRO A 167 7.074 11.508 1.102 1.00 0.98 H new ATOM 0 HD2 PRO A 167 7.819 9.112 2.091 1.00 0.91 H new ATOM 0 HD3 PRO A 167 7.012 10.281 3.117 1.00 0.91 H new ATOM 222 N SER A 168 5.080 7.537 -0.030 1.00 0.55 N ATOM 223 CA SER A 168 4.798 6.597 -1.107 1.00 0.52 C ATOM 224 C SER A 168 3.886 5.473 -0.624 1.00 0.39 C ATOM 225 O SER A 168 2.846 5.203 -1.226 1.00 0.33 O ATOM 226 CB SER A 168 6.101 6.011 -1.652 1.00 0.66 C ATOM 227 OG SER A 168 5.849 5.080 -2.690 1.00 1.47 O ATOM 0 H SER A 168 6.021 7.466 0.358 1.00 0.55 H new ATOM 0 HA SER A 168 4.288 7.138 -1.904 1.00 0.52 H new ATOM 0 HB2 SER A 168 6.736 6.814 -2.026 1.00 0.66 H new ATOM 0 HB3 SER A 168 6.648 5.522 -0.846 1.00 0.66 H new ATOM 0 HG SER A 168 6.699 4.722 -3.022 1.00 1.47 H new ATOM 233 N LEU A 169 4.281 4.824 0.466 1.00 0.40 N ATOM 234 CA LEU A 169 3.496 3.730 1.030 1.00 0.36 C ATOM 235 C LEU A 169 2.127 4.221 1.485 1.00 0.28 C ATOM 236 O LEU A 169 1.105 3.596 1.199 1.00 0.26 O ATOM 237 CB LEU A 169 4.239 3.088 2.200 1.00 0.47 C ATOM 238 CG LEU A 169 5.586 2.458 1.842 1.00 0.59 C ATOM 239 CD1 LEU A 169 6.169 1.733 3.044 1.00 0.73 C ATOM 240 CD2 LEU A 169 5.431 1.506 0.666 1.00 0.62 C ATOM 0 H LEU A 169 5.138 5.035 0.976 1.00 0.40 H new ATOM 0 HA LEU A 169 3.351 2.982 0.251 1.00 0.36 H new ATOM 0 HB2 LEU A 169 4.401 3.845 2.967 1.00 0.47 H new ATOM 0 HB3 LEU A 169 3.601 2.321 2.639 1.00 0.47 H new ATOM 0 HG LEU A 169 6.274 3.252 1.553 1.00 0.59 H new ATOM 0 HD11 LEU A 169 7.127 1.290 2.772 1.00 0.73 H new ATOM 0 HD12 LEU A 169 6.314 2.441 3.860 1.00 0.73 H new ATOM 0 HD13 LEU A 169 5.484 0.947 3.363 1.00 0.73 H new ATOM 0 HD21 LEU A 169 6.399 1.066 0.424 1.00 0.62 H new ATOM 0 HD22 LEU A 169 4.728 0.715 0.928 1.00 0.62 H new ATOM 0 HD23 LEU A 169 5.055 2.054 -0.198 1.00 0.62 H new ATOM 252 N LEU A 170 2.111 5.346 2.195 1.00 0.31 N ATOM 253 CA LEU A 170 0.863 5.917 2.687 1.00 0.33 C ATOM 254 C LEU A 170 -0.147 6.059 1.553 1.00 0.26 C ATOM 255 O LEU A 170 -1.282 5.592 1.659 1.00 0.27 O ATOM 256 CB LEU A 170 1.120 7.281 3.331 1.00 0.42 C ATOM 257 CG LEU A 170 1.951 7.247 4.614 1.00 0.52 C ATOM 258 CD1 LEU A 170 2.138 8.652 5.167 1.00 0.63 C ATOM 259 CD2 LEU A 170 1.293 6.348 5.650 1.00 0.60 C ATOM 0 H LEU A 170 2.946 5.878 2.441 1.00 0.31 H new ATOM 0 HA LEU A 170 0.451 5.243 3.438 1.00 0.33 H new ATOM 0 HB2 LEU A 170 1.626 7.918 2.606 1.00 0.42 H new ATOM 0 HB3 LEU A 170 0.160 7.748 3.551 1.00 0.42 H new ATOM 0 HG LEU A 170 2.933 6.838 4.378 1.00 0.52 H new ATOM 0 HD11 LEU A 170 2.732 8.608 6.080 1.00 0.63 H new ATOM 0 HD12 LEU A 170 2.652 9.268 4.429 1.00 0.63 H new ATOM 0 HD13 LEU A 170 1.164 9.088 5.388 1.00 0.63 H new ATOM 0 HD21 LEU A 170 1.897 6.335 6.557 1.00 0.60 H new ATOM 0 HD22 LEU A 170 0.298 6.728 5.882 1.00 0.60 H new ATOM 0 HD23 LEU A 170 1.211 5.336 5.254 1.00 0.60 H new ATOM 271 N LEU A 171 0.273 6.701 0.470 1.00 0.23 N ATOM 272 CA LEU A 171 -0.595 6.898 -0.684 1.00 0.22 C ATOM 273 C LEU A 171 -1.093 5.560 -1.220 1.00 0.18 C ATOM 274 O LEU A 171 -2.271 5.409 -1.542 1.00 0.21 O ATOM 275 CB LEU A 171 0.144 7.657 -1.788 1.00 0.26 C ATOM 276 CG LEU A 171 0.475 9.116 -1.466 1.00 0.33 C ATOM 277 CD1 LEU A 171 1.362 9.711 -2.547 1.00 0.39 C ATOM 278 CD2 LEU A 171 -0.803 9.929 -1.316 1.00 0.40 C ATOM 0 H LEU A 171 1.209 7.094 0.367 1.00 0.23 H new ATOM 0 HA LEU A 171 -1.454 7.488 -0.363 1.00 0.22 H new ATOM 0 HB2 LEU A 171 1.073 7.131 -2.010 1.00 0.26 H new ATOM 0 HB3 LEU A 171 -0.462 7.630 -2.694 1.00 0.26 H new ATOM 0 HG LEU A 171 1.017 9.148 -0.521 1.00 0.33 H new ATOM 0 HD11 LEU A 171 1.588 10.749 -2.302 1.00 0.39 H new ATOM 0 HD12 LEU A 171 2.290 9.143 -2.610 1.00 0.39 H new ATOM 0 HD13 LEU A 171 0.845 9.669 -3.506 1.00 0.39 H new ATOM 0 HD21 LEU A 171 -0.551 10.964 -1.087 1.00 0.40 H new ATOM 0 HD22 LEU A 171 -1.370 9.891 -2.246 1.00 0.40 H new ATOM 0 HD23 LEU A 171 -1.405 9.515 -0.507 1.00 0.40 H new ATOM 290 N SER A 172 -0.190 4.590 -1.310 1.00 0.16 N ATOM 291 CA SER A 172 -0.543 3.266 -1.806 1.00 0.16 C ATOM 292 C SER A 172 -1.661 2.657 -0.968 1.00 0.15 C ATOM 293 O SER A 172 -2.686 2.228 -1.498 1.00 0.19 O ATOM 294 CB SER A 172 0.682 2.350 -1.788 1.00 0.19 C ATOM 295 OG SER A 172 1.669 2.802 -2.699 1.00 0.23 O ATOM 0 H SER A 172 0.790 4.696 -1.046 1.00 0.16 H new ATOM 0 HA SER A 172 -0.895 3.368 -2.832 1.00 0.16 H new ATOM 0 HB2 SER A 172 1.100 2.315 -0.782 1.00 0.19 H new ATOM 0 HB3 SER A 172 0.384 1.333 -2.044 1.00 0.19 H new ATOM 0 HG SER A 172 1.773 2.147 -3.420 1.00 0.23 H new ATOM 301 N HIS A 173 -1.458 2.626 0.345 1.00 0.13 N ATOM 302 CA HIS A 173 -2.451 2.076 1.259 1.00 0.17 C ATOM 303 C HIS A 173 -3.744 2.886 1.204 1.00 0.22 C ATOM 304 O HIS A 173 -4.827 2.331 1.021 1.00 0.27 O ATOM 305 CB HIS A 173 -1.904 2.058 2.688 1.00 0.20 C ATOM 306 CG HIS A 173 -0.704 1.178 2.858 1.00 0.20 C ATOM 307 ND1 HIS A 173 0.582 1.666 2.951 1.00 0.25 N ATOM 308 CD2 HIS A 173 -0.600 -0.170 2.957 1.00 0.25 C ATOM 309 CE1 HIS A 173 1.425 0.658 3.099 1.00 0.29 C ATOM 310 NE2 HIS A 173 0.733 -0.466 3.106 1.00 0.27 N ATOM 0 H HIS A 173 -0.614 2.976 0.799 1.00 0.13 H new ATOM 0 HA HIS A 173 -2.670 1.054 0.950 1.00 0.17 H new ATOM 0 HB2 HIS A 173 -1.643 3.075 2.981 1.00 0.20 H new ATOM 0 HB3 HIS A 173 -2.690 1.722 3.365 1.00 0.20 H new ATOM 0 HD1 HIS A 173 0.843 2.651 2.912 1.00 0.25 H new ATOM 0 HD2 HIS A 173 -1.414 -0.879 2.925 1.00 0.25 H new ATOM 0 HE1 HIS A 173 2.497 0.740 3.197 1.00 0.29 H new ATOM 0 HE2 HIS A 173 1.125 -1.403 3.206 1.00 0.27 H new ATOM 319 N LEU A 174 -3.619 4.201 1.363 1.00 0.23 N ATOM 320 CA LEU A 174 -4.776 5.090 1.335 1.00 0.29 C ATOM 321 C LEU A 174 -5.527 4.973 0.012 1.00 0.29 C ATOM 322 O LEU A 174 -6.739 4.757 -0.006 1.00 0.34 O ATOM 323 CB LEU A 174 -4.340 6.538 1.558 1.00 0.32 C ATOM 324 CG LEU A 174 -3.708 6.823 2.923 1.00 0.36 C ATOM 325 CD1 LEU A 174 -3.229 8.264 2.996 1.00 0.41 C ATOM 326 CD2 LEU A 174 -4.698 6.532 4.040 1.00 0.47 C ATOM 0 H LEU A 174 -2.728 4.674 1.513 1.00 0.23 H new ATOM 0 HA LEU A 174 -5.447 4.790 2.140 1.00 0.29 H new ATOM 0 HB2 LEU A 174 -3.626 6.810 0.781 1.00 0.32 H new ATOM 0 HB3 LEU A 174 -5.208 7.186 1.434 1.00 0.32 H new ATOM 0 HG LEU A 174 -2.847 6.167 3.048 1.00 0.36 H new ATOM 0 HD11 LEU A 174 -2.782 8.450 3.973 1.00 0.41 H new ATOM 0 HD12 LEU A 174 -2.486 8.440 2.218 1.00 0.41 H new ATOM 0 HD13 LEU A 174 -4.074 8.936 2.850 1.00 0.41 H new ATOM 0 HD21 LEU A 174 -4.232 6.740 5.003 1.00 0.47 H new ATOM 0 HD22 LEU A 174 -5.579 7.163 3.919 1.00 0.47 H new ATOM 0 HD23 LEU A 174 -4.994 5.484 4.000 1.00 0.47 H new ATOM 338 N LEU A 175 -4.804 5.115 -1.094 1.00 0.26 N ATOM 339 CA LEU A 175 -5.412 5.022 -2.416 1.00 0.28 C ATOM 340 C LEU A 175 -6.188 3.718 -2.564 1.00 0.27 C ATOM 341 O LEU A 175 -7.352 3.720 -2.963 1.00 0.29 O ATOM 342 CB LEU A 175 -4.343 5.125 -3.507 1.00 0.30 C ATOM 343 CG LEU A 175 -3.733 6.516 -3.687 1.00 0.33 C ATOM 344 CD1 LEU A 175 -2.556 6.463 -4.649 1.00 0.37 C ATOM 345 CD2 LEU A 175 -4.786 7.496 -4.183 1.00 0.41 C ATOM 0 H LEU A 175 -3.800 5.294 -1.101 1.00 0.26 H new ATOM 0 HA LEU A 175 -6.108 5.853 -2.527 1.00 0.28 H new ATOM 0 HB2 LEU A 175 -3.543 4.421 -3.278 1.00 0.30 H new ATOM 0 HB3 LEU A 175 -4.781 4.812 -4.455 1.00 0.30 H new ATOM 0 HG LEU A 175 -3.368 6.861 -2.720 1.00 0.33 H new ATOM 0 HD11 LEU A 175 -2.135 7.462 -4.764 1.00 0.37 H new ATOM 0 HD12 LEU A 175 -1.794 5.791 -4.254 1.00 0.37 H new ATOM 0 HD13 LEU A 175 -2.895 6.098 -5.619 1.00 0.37 H new ATOM 0 HD21 LEU A 175 -4.337 8.481 -4.306 1.00 0.41 H new ATOM 0 HD22 LEU A 175 -5.179 7.154 -5.140 1.00 0.41 H new ATOM 0 HD23 LEU A 175 -5.598 7.556 -3.458 1.00 0.41 H new ATOM 357 N ALA A 176 -5.537 2.606 -2.239 1.00 0.26 N ATOM 358 CA ALA A 176 -6.172 1.297 -2.333 1.00 0.27 C ATOM 359 C ALA A 176 -7.490 1.281 -1.566 1.00 0.26 C ATOM 360 O ALA A 176 -8.533 0.905 -2.106 1.00 0.27 O ATOM 361 CB ALA A 176 -5.236 0.220 -1.808 1.00 0.27 C ATOM 0 H ALA A 176 -4.572 2.585 -1.909 1.00 0.26 H new ATOM 0 HA ALA A 176 -6.387 1.091 -3.382 1.00 0.27 H new ATOM 0 HB1 ALA A 176 -5.722 -0.753 -1.884 1.00 0.27 H new ATOM 0 HB2 ALA A 176 -4.320 0.215 -2.398 1.00 0.27 H new ATOM 0 HB3 ALA A 176 -4.994 0.425 -0.765 1.00 0.27 H new ATOM 367 N ILE A 177 -7.440 1.695 -0.304 1.00 0.27 N ATOM 368 CA ILE A 177 -8.634 1.737 0.527 1.00 0.28 C ATOM 369 C ILE A 177 -9.688 2.634 -0.110 1.00 0.26 C ATOM 370 O ILE A 177 -10.870 2.290 -0.146 1.00 0.26 O ATOM 371 CB ILE A 177 -8.318 2.244 1.950 1.00 0.31 C ATOM 372 CG1 ILE A 177 -7.307 1.318 2.629 1.00 0.36 C ATOM 373 CG2 ILE A 177 -9.590 2.340 2.780 1.00 0.33 C ATOM 374 CD1 ILE A 177 -6.851 1.813 3.984 1.00 0.62 C ATOM 0 H ILE A 177 -6.588 2.005 0.163 1.00 0.27 H new ATOM 0 HA ILE A 177 -9.016 0.719 0.604 1.00 0.28 H new ATOM 0 HB ILE A 177 -7.883 3.241 1.873 1.00 0.31 H new ATOM 0 HG12 ILE A 177 -7.751 0.329 2.743 1.00 0.36 H new ATOM 0 HG13 ILE A 177 -6.438 1.204 1.981 1.00 0.36 H new ATOM 0 HG21 ILE A 177 -9.346 2.699 3.780 1.00 0.33 H new ATOM 0 HG22 ILE A 177 -10.283 3.034 2.304 1.00 0.33 H new ATOM 0 HG23 ILE A 177 -10.053 1.356 2.851 1.00 0.33 H new ATOM 0 HD11 ILE A 177 -6.136 1.108 4.407 1.00 0.62 H new ATOM 0 HD12 ILE A 177 -6.377 2.789 3.874 1.00 0.62 H new ATOM 0 HD13 ILE A 177 -7.711 1.900 4.648 1.00 0.62 H new ATOM 386 N GLY A 178 -9.251 3.781 -0.622 1.00 0.26 N ATOM 387 CA GLY A 178 -10.169 4.701 -1.261 1.00 0.27 C ATOM 388 C GLY A 178 -11.006 4.015 -2.321 1.00 0.26 C ATOM 389 O GLY A 178 -12.214 4.234 -2.408 1.00 0.28 O ATOM 0 H GLY A 178 -8.278 4.088 -0.605 1.00 0.26 H new ATOM 0 HA2 GLY A 178 -10.824 5.142 -0.509 1.00 0.27 H new ATOM 0 HA3 GLY A 178 -9.608 5.519 -1.714 1.00 0.27 H new ATOM 393 N LEU A 179 -10.360 3.181 -3.131 1.00 0.25 N ATOM 394 CA LEU A 179 -11.056 2.447 -4.179 1.00 0.27 C ATOM 395 C LEU A 179 -12.096 1.524 -3.562 1.00 0.26 C ATOM 396 O LEU A 179 -13.222 1.422 -4.049 1.00 0.28 O ATOM 397 CB LEU A 179 -10.069 1.629 -5.016 1.00 0.33 C ATOM 398 CG LEU A 179 -8.994 2.445 -5.734 1.00 0.36 C ATOM 399 CD1 LEU A 179 -8.078 1.533 -6.536 1.00 0.43 C ATOM 400 CD2 LEU A 179 -9.632 3.490 -6.637 1.00 0.43 C ATOM 0 H LEU A 179 -9.358 2.998 -3.081 1.00 0.25 H new ATOM 0 HA LEU A 179 -11.551 3.166 -4.832 1.00 0.27 H new ATOM 0 HB2 LEU A 179 -9.579 0.904 -4.366 1.00 0.33 H new ATOM 0 HB3 LEU A 179 -10.630 1.062 -5.759 1.00 0.33 H new ATOM 0 HG LEU A 179 -8.394 2.960 -4.983 1.00 0.36 H new ATOM 0 HD11 LEU A 179 -7.319 2.132 -7.040 1.00 0.43 H new ATOM 0 HD12 LEU A 179 -7.594 0.823 -5.866 1.00 0.43 H new ATOM 0 HD13 LEU A 179 -8.664 0.990 -7.278 1.00 0.43 H new ATOM 0 HD21 LEU A 179 -8.852 4.061 -7.140 1.00 0.43 H new ATOM 0 HD22 LEU A 179 -10.256 2.995 -7.381 1.00 0.43 H new ATOM 0 HD23 LEU A 179 -10.245 4.163 -6.038 1.00 0.43 H new ATOM 412 N GLY A 180 -11.704 0.850 -2.484 1.00 0.25 N ATOM 413 CA GLY A 180 -12.614 -0.051 -1.804 1.00 0.27 C ATOM 414 C GLY A 180 -13.837 0.668 -1.270 1.00 0.26 C ATOM 415 O GLY A 180 -14.962 0.196 -1.433 1.00 0.29 O ATOM 0 H GLY A 180 -10.773 0.913 -2.071 1.00 0.25 H new ATOM 0 HA2 GLY A 180 -12.927 -0.836 -2.492 1.00 0.27 H new ATOM 0 HA3 GLY A 180 -12.092 -0.539 -0.980 1.00 0.27 H new ATOM 419 N ILE A 181 -13.617 1.812 -0.631 1.00 0.28 N ATOM 420 CA ILE A 181 -14.713 2.599 -0.076 1.00 0.34 C ATOM 421 C ILE A 181 -15.683 3.030 -1.171 1.00 0.32 C ATOM 422 O ILE A 181 -16.900 2.915 -1.019 1.00 0.36 O ATOM 423 CB ILE A 181 -14.196 3.856 0.652 1.00 0.42 C ATOM 424 CG1 ILE A 181 -13.199 3.468 1.746 1.00 0.49 C ATOM 425 CG2 ILE A 181 -15.357 4.642 1.243 1.00 0.49 C ATOM 426 CD1 ILE A 181 -13.788 2.570 2.811 1.00 0.89 C ATOM 0 H ILE A 181 -12.691 2.215 -0.485 1.00 0.28 H new ATOM 0 HA ILE A 181 -15.229 1.960 0.641 1.00 0.34 H new ATOM 0 HB ILE A 181 -13.684 4.489 -0.072 1.00 0.42 H new ATOM 0 HG12 ILE A 181 -12.348 2.964 1.288 1.00 0.49 H new ATOM 0 HG13 ILE A 181 -12.818 4.374 2.217 1.00 0.49 H new ATOM 0 HG21 ILE A 181 -14.975 5.526 1.753 1.00 0.49 H new ATOM 0 HG22 ILE A 181 -16.033 4.947 0.445 1.00 0.49 H new ATOM 0 HG23 ILE A 181 -15.895 4.016 1.955 1.00 0.49 H new ATOM 0 HD11 ILE A 181 -13.024 2.336 3.553 1.00 0.89 H new ATOM 0 HD12 ILE A 181 -14.621 3.079 3.296 1.00 0.89 H new ATOM 0 HD13 ILE A 181 -14.144 1.647 2.353 1.00 0.89 H new ATOM 438 N TYR A 182 -15.134 3.525 -2.276 1.00 0.31 N ATOM 439 CA TYR A 182 -15.945 3.973 -3.402 1.00 0.35 C ATOM 440 C TYR A 182 -16.890 2.868 -3.864 1.00 0.36 C ATOM 441 O TYR A 182 -18.089 3.089 -4.028 1.00 0.42 O ATOM 442 CB TYR A 182 -15.042 4.415 -4.558 1.00 0.39 C ATOM 443 CG TYR A 182 -15.785 4.697 -5.845 1.00 0.51 C ATOM 444 CD1 TYR A 182 -16.678 5.757 -5.939 1.00 1.19 C ATOM 445 CD2 TYR A 182 -15.589 3.902 -6.968 1.00 1.43 C ATOM 446 CE1 TYR A 182 -17.355 6.016 -7.117 1.00 1.21 C ATOM 447 CE2 TYR A 182 -16.262 4.155 -8.148 1.00 1.56 C ATOM 448 CZ TYR A 182 -17.144 5.212 -8.217 1.00 0.81 C ATOM 449 OH TYR A 182 -17.815 5.468 -9.390 1.00 0.98 O ATOM 0 H TYR A 182 -14.129 3.626 -2.415 1.00 0.31 H new ATOM 0 HA TYR A 182 -16.546 4.822 -3.076 1.00 0.35 H new ATOM 0 HB2 TYR A 182 -14.500 5.312 -4.259 1.00 0.39 H new ATOM 0 HB3 TYR A 182 -14.299 3.639 -4.742 1.00 0.39 H new ATOM 0 HD1 TYR A 182 -16.846 6.388 -5.079 1.00 1.19 H new ATOM 0 HD2 TYR A 182 -14.899 3.073 -6.918 1.00 1.43 H new ATOM 0 HE1 TYR A 182 -18.046 6.844 -7.175 1.00 1.21 H new ATOM 0 HE2 TYR A 182 -16.098 3.528 -9.012 1.00 1.56 H new ATOM 0 HH TYR A 182 -17.552 4.810 -10.067 1.00 0.98 H new ATOM 459 N ILE A 183 -16.340 1.680 -4.080 1.00 0.35 N ATOM 460 CA ILE A 183 -17.133 0.541 -4.522 1.00 0.43 C ATOM 461 C ILE A 183 -18.184 0.161 -3.480 1.00 0.45 C ATOM 462 O ILE A 183 -19.351 -0.048 -3.812 1.00 0.55 O ATOM 463 CB ILE A 183 -16.241 -0.679 -4.816 1.00 0.48 C ATOM 464 CG1 ILE A 183 -15.186 -0.319 -5.864 1.00 0.54 C ATOM 465 CG2 ILE A 183 -17.083 -1.855 -5.288 1.00 0.56 C ATOM 466 CD1 ILE A 183 -14.200 -1.434 -6.139 1.00 0.83 C ATOM 0 H ILE A 183 -15.347 1.480 -3.956 1.00 0.35 H new ATOM 0 HA ILE A 183 -17.637 0.841 -5.441 1.00 0.43 H new ATOM 0 HB ILE A 183 -15.734 -0.970 -3.896 1.00 0.48 H new ATOM 0 HG12 ILE A 183 -15.687 -0.051 -6.794 1.00 0.54 H new ATOM 0 HG13 ILE A 183 -14.640 0.563 -5.530 1.00 0.54 H new ATOM 0 HG21 ILE A 183 -16.435 -2.708 -5.491 1.00 0.56 H new ATOM 0 HG22 ILE A 183 -17.802 -2.122 -4.514 1.00 0.56 H new ATOM 0 HG23 ILE A 183 -17.615 -1.579 -6.198 1.00 0.56 H new ATOM 0 HD11 ILE A 183 -13.482 -1.108 -6.892 1.00 0.83 H new ATOM 0 HD12 ILE A 183 -13.672 -1.688 -5.220 1.00 0.83 H new ATOM 0 HD13 ILE A 183 -14.735 -2.311 -6.504 1.00 0.83 H new ATOM 478 N GLY A 184 -17.762 0.072 -2.223 1.00 0.40 N ATOM 479 CA GLY A 184 -18.679 -0.286 -1.153 1.00 0.46 C ATOM 480 C GLY A 184 -19.800 0.721 -0.972 1.00 0.52 C ATOM 481 O GLY A 184 -20.976 0.354 -0.965 1.00 0.64 O ATOM 0 H GLY A 184 -16.801 0.241 -1.925 1.00 0.40 H new ATOM 0 HA2 GLY A 184 -19.108 -1.266 -1.362 1.00 0.46 H new ATOM 0 HA3 GLY A 184 -18.123 -0.374 -0.220 1.00 0.46 H new ATOM 485 N ARG A 185 -19.439 1.993 -0.824 1.00 0.48 N ATOM 486 CA ARG A 185 -20.429 3.051 -0.637 1.00 0.59 C ATOM 487 C ARG A 185 -21.359 3.162 -1.845 1.00 0.67 C ATOM 488 O ARG A 185 -22.415 3.788 -1.766 1.00 0.83 O ATOM 489 CB ARG A 185 -19.734 4.390 -0.379 1.00 0.59 C ATOM 490 CG ARG A 185 -19.056 4.972 -1.605 1.00 0.51 C ATOM 491 CD ARG A 185 -19.964 5.949 -2.335 1.00 0.85 C ATOM 492 NE ARG A 185 -20.230 7.144 -1.539 1.00 1.32 N ATOM 493 CZ ARG A 185 -21.056 8.114 -1.915 1.00 1.98 C ATOM 494 NH1 ARG A 185 -21.700 8.030 -3.071 1.00 2.27 N ATOM 495 NH2 ARG A 185 -21.237 9.171 -1.135 1.00 2.54 N ATOM 0 H ARG A 185 -18.471 2.316 -0.830 1.00 0.48 H new ATOM 0 HA ARG A 185 -21.035 2.792 0.231 1.00 0.59 H new ATOM 0 HB2 ARG A 185 -20.468 5.105 -0.007 1.00 0.59 H new ATOM 0 HB3 ARG A 185 -18.991 4.258 0.408 1.00 0.59 H new ATOM 0 HG2 ARG A 185 -18.138 5.480 -1.308 1.00 0.51 H new ATOM 0 HG3 ARG A 185 -18.770 4.166 -2.281 1.00 0.51 H new ATOM 0 HD2 ARG A 185 -19.502 6.237 -3.279 1.00 0.85 H new ATOM 0 HD3 ARG A 185 -20.906 5.457 -2.578 1.00 0.85 H new ATOM 0 HE ARG A 185 -19.754 7.239 -0.642 1.00 1.32 H new ATOM 0 HH11 ARG A 185 -21.562 7.219 -3.674 1.00 2.27 H new ATOM 0 HH12 ARG A 185 -22.334 8.776 -3.357 1.00 2.27 H new ATOM 0 HH21 ARG A 185 -20.742 9.239 -0.246 1.00 2.54 H new ATOM 0 HH22 ARG A 185 -21.871 9.916 -1.424 1.00 2.54 H new ATOM 509 N ARG A 186 -20.962 2.555 -2.963 1.00 0.63 N ATOM 510 CA ARG A 186 -21.772 2.587 -4.177 1.00 0.74 C ATOM 511 C ARG A 186 -22.701 1.376 -4.247 1.00 0.85 C ATOM 512 O ARG A 186 -23.170 1.005 -5.324 1.00 1.06 O ATOM 513 CB ARG A 186 -20.874 2.625 -5.415 1.00 0.80 C ATOM 514 CG ARG A 186 -20.144 3.945 -5.602 1.00 1.24 C ATOM 515 CD ARG A 186 -20.845 4.834 -6.617 1.00 1.58 C ATOM 516 NE ARG A 186 -22.209 5.167 -6.212 1.00 2.38 N ATOM 517 CZ ARG A 186 -23.144 5.592 -7.057 1.00 2.95 C ATOM 518 NH1 ARG A 186 -22.863 5.731 -8.346 1.00 2.93 N ATOM 519 NH2 ARG A 186 -24.360 5.880 -6.613 1.00 3.95 N ATOM 0 H ARG A 186 -20.088 2.037 -3.052 1.00 0.63 H new ATOM 0 HA ARG A 186 -22.382 3.490 -4.150 1.00 0.74 H new ATOM 0 HB2 ARG A 186 -20.141 1.821 -5.345 1.00 0.80 H new ATOM 0 HB3 ARG A 186 -21.481 2.427 -6.299 1.00 0.80 H new ATOM 0 HG2 ARG A 186 -20.080 4.464 -4.646 1.00 1.24 H new ATOM 0 HG3 ARG A 186 -19.122 3.753 -5.930 1.00 1.24 H new ATOM 0 HD2 ARG A 186 -20.273 5.752 -6.749 1.00 1.58 H new ATOM 0 HD3 ARG A 186 -20.868 4.331 -7.584 1.00 1.58 H new ATOM 0 HE ARG A 186 -22.458 5.068 -5.228 1.00 2.38 H new ATOM 0 HH11 ARG A 186 -21.928 5.512 -8.691 1.00 2.93 H new ATOM 0 HH12 ARG A 186 -23.582 6.057 -8.992 1.00 2.93 H new ATOM 0 HH21 ARG A 186 -24.579 5.776 -5.622 1.00 3.95 H new ATOM 0 HH22 ARG A 186 -25.076 6.206 -7.262 1.00 3.95 H new ATOM 775 N PRO B 167 7.342 -7.866 -2.899 1.00 0.73 N ATOM 776 CA PRO B 167 6.085 -8.554 -2.576 1.00 0.63 C ATOM 777 C PRO B 167 5.275 -7.832 -1.503 1.00 0.56 C ATOM 778 O PRO B 167 4.060 -7.682 -1.628 1.00 0.69 O ATOM 779 CB PRO B 167 6.533 -9.933 -2.068 1.00 0.87 C ATOM 780 CG PRO B 167 7.999 -9.814 -1.822 1.00 1.07 C ATOM 781 CD PRO B 167 8.498 -8.765 -2.771 1.00 0.96 C ATOM 0 HA PRO B 167 5.427 -8.601 -3.444 1.00 0.63 H new ATOM 0 HB2 PRO B 167 6.003 -10.205 -1.155 1.00 0.87 H new ATOM 0 HB3 PRO B 167 6.321 -10.709 -2.803 1.00 0.87 H new ATOM 0 HG2 PRO B 167 8.199 -9.531 -0.789 1.00 1.07 H new ATOM 0 HG3 PRO B 167 8.501 -10.766 -1.994 1.00 1.07 H new ATOM 0 HD2 PRO B 167 9.372 -8.246 -2.377 1.00 0.96 H new ATOM 0 HD3 PRO B 167 8.786 -9.192 -3.731 1.00 0.96 H new ATOM 789 N SER B 168 5.951 -7.390 -0.450 1.00 0.55 N ATOM 790 CA SER B 168 5.286 -6.689 0.643 1.00 0.55 C ATOM 791 C SER B 168 4.411 -5.556 0.116 1.00 0.44 C ATOM 792 O SER B 168 3.282 -5.370 0.570 1.00 0.41 O ATOM 793 CB SER B 168 6.320 -6.136 1.626 1.00 0.72 C ATOM 794 OG SER B 168 7.079 -7.181 2.211 1.00 1.59 O ATOM 0 H SER B 168 6.957 -7.504 -0.329 1.00 0.55 H new ATOM 0 HA SER B 168 4.647 -7.404 1.161 1.00 0.55 H new ATOM 0 HB2 SER B 168 6.985 -5.445 1.108 1.00 0.72 H new ATOM 0 HB3 SER B 168 5.816 -5.567 2.407 1.00 0.72 H new ATOM 0 HG SER B 168 7.733 -6.801 2.834 1.00 1.59 H new ATOM 800 N LEU B 169 4.937 -4.804 -0.843 1.00 0.46 N ATOM 801 CA LEU B 169 4.205 -3.686 -1.428 1.00 0.45 C ATOM 802 C LEU B 169 2.929 -4.161 -2.119 1.00 0.33 C ATOM 803 O LEU B 169 1.867 -3.555 -1.964 1.00 0.31 O ATOM 804 CB LEU B 169 5.091 -2.933 -2.422 1.00 0.60 C ATOM 805 CG LEU B 169 6.363 -2.331 -1.821 1.00 0.77 C ATOM 806 CD1 LEU B 169 7.045 -1.414 -2.823 1.00 1.09 C ATOM 807 CD2 LEU B 169 6.044 -1.580 -0.538 1.00 0.77 C ATOM 0 H LEU B 169 5.869 -4.948 -1.233 1.00 0.46 H new ATOM 0 HA LEU B 169 3.922 -3.012 -0.620 1.00 0.45 H new ATOM 0 HB2 LEU B 169 5.373 -3.615 -3.225 1.00 0.60 H new ATOM 0 HB3 LEU B 169 4.506 -2.132 -2.874 1.00 0.60 H new ATOM 0 HG LEU B 169 7.048 -3.144 -1.580 1.00 0.77 H new ATOM 0 HD11 LEU B 169 7.947 -0.995 -2.378 1.00 1.09 H new ATOM 0 HD12 LEU B 169 7.310 -1.982 -3.714 1.00 1.09 H new ATOM 0 HD13 LEU B 169 6.367 -0.606 -3.097 1.00 1.09 H new ATOM 0 HD21 LEU B 169 6.961 -1.159 -0.125 1.00 0.77 H new ATOM 0 HD22 LEU B 169 5.340 -0.776 -0.752 1.00 0.77 H new ATOM 0 HD23 LEU B 169 5.602 -2.266 0.185 1.00 0.77 H new ATOM 819 N LEU B 170 3.033 -5.248 -2.878 1.00 0.34 N ATOM 820 CA LEU B 170 1.879 -5.793 -3.586 1.00 0.36 C ATOM 821 C LEU B 170 0.785 -6.199 -2.605 1.00 0.28 C ATOM 822 O LEU B 170 -0.377 -5.825 -2.763 1.00 0.32 O ATOM 823 CB LEU B 170 2.281 -6.995 -4.445 1.00 0.47 C ATOM 824 CG LEU B 170 3.089 -6.665 -5.703 1.00 0.59 C ATOM 825 CD1 LEU B 170 4.453 -6.101 -5.339 1.00 0.60 C ATOM 826 CD2 LEU B 170 3.240 -7.902 -6.575 1.00 0.72 C ATOM 0 H LEU B 170 3.900 -5.767 -3.018 1.00 0.34 H new ATOM 0 HA LEU B 170 1.492 -5.012 -4.240 1.00 0.36 H new ATOM 0 HB2 LEU B 170 2.863 -7.681 -3.830 1.00 0.47 H new ATOM 0 HB3 LEU B 170 1.376 -7.525 -4.744 1.00 0.47 H new ATOM 0 HG LEU B 170 2.547 -5.905 -6.266 1.00 0.59 H new ATOM 0 HD11 LEU B 170 5.008 -5.875 -6.249 1.00 0.60 H new ATOM 0 HD12 LEU B 170 4.326 -5.189 -4.755 1.00 0.60 H new ATOM 0 HD13 LEU B 170 5.005 -6.834 -4.751 1.00 0.60 H new ATOM 0 HD21 LEU B 170 3.817 -7.651 -7.465 1.00 0.72 H new ATOM 0 HD22 LEU B 170 3.757 -8.681 -6.015 1.00 0.72 H new ATOM 0 HD23 LEU B 170 2.254 -8.261 -6.870 1.00 0.72 H new ATOM 838 N LEU B 171 1.166 -6.966 -1.588 1.00 0.24 N ATOM 839 CA LEU B 171 0.219 -7.421 -0.579 1.00 0.26 C ATOM 840 C LEU B 171 -0.540 -6.244 0.025 1.00 0.23 C ATOM 841 O LEU B 171 -1.752 -6.312 0.228 1.00 0.29 O ATOM 842 CB LEU B 171 0.948 -8.194 0.522 1.00 0.32 C ATOM 843 CG LEU B 171 1.713 -9.431 0.043 1.00 0.38 C ATOM 844 CD1 LEU B 171 2.435 -10.096 1.206 1.00 0.47 C ATOM 845 CD2 LEU B 171 0.769 -10.414 -0.633 1.00 0.50 C ATOM 0 H LEU B 171 2.124 -7.285 -1.442 1.00 0.24 H new ATOM 0 HA LEU B 171 -0.500 -8.083 -1.062 1.00 0.26 H new ATOM 0 HB2 LEU B 171 1.648 -7.520 1.016 1.00 0.32 H new ATOM 0 HB3 LEU B 171 0.220 -8.503 1.272 1.00 0.32 H new ATOM 0 HG LEU B 171 2.458 -9.113 -0.687 1.00 0.38 H new ATOM 0 HD11 LEU B 171 2.973 -10.973 0.847 1.00 0.47 H new ATOM 0 HD12 LEU B 171 3.141 -9.392 1.646 1.00 0.47 H new ATOM 0 HD13 LEU B 171 1.708 -10.400 1.960 1.00 0.47 H new ATOM 0 HD21 LEU B 171 1.330 -11.287 -0.967 1.00 0.50 H new ATOM 0 HD22 LEU B 171 0.001 -10.726 0.074 1.00 0.50 H new ATOM 0 HD23 LEU B 171 0.299 -9.935 -1.492 1.00 0.50 H new ATOM 857 N SER B 172 0.182 -5.163 0.309 1.00 0.18 N ATOM 858 CA SER B 172 -0.426 -3.971 0.890 1.00 0.19 C ATOM 859 C SER B 172 -1.531 -3.427 -0.010 1.00 0.14 C ATOM 860 O SER B 172 -2.641 -3.155 0.450 1.00 0.18 O ATOM 861 CB SER B 172 0.632 -2.892 1.126 1.00 0.23 C ATOM 862 OG SER B 172 1.575 -3.305 2.100 1.00 0.31 O ATOM 0 H SER B 172 1.186 -5.089 0.146 1.00 0.18 H new ATOM 0 HA SER B 172 -0.867 -4.252 1.847 1.00 0.19 H new ATOM 0 HB2 SER B 172 1.145 -2.671 0.190 1.00 0.23 H new ATOM 0 HB3 SER B 172 0.149 -1.970 1.451 1.00 0.23 H new ATOM 0 HG SER B 172 2.166 -3.986 1.715 1.00 0.31 H new ATOM 868 N HIS B 173 -1.221 -3.268 -1.293 1.00 0.12 N ATOM 869 CA HIS B 173 -2.193 -2.755 -2.255 1.00 0.15 C ATOM 870 C HIS B 173 -3.433 -3.642 -2.309 1.00 0.20 C ATOM 871 O HIS B 173 -4.556 -3.161 -2.167 1.00 0.25 O ATOM 872 CB HIS B 173 -1.567 -2.662 -3.647 1.00 0.19 C ATOM 873 CG HIS B 173 -0.460 -1.659 -3.749 1.00 0.21 C ATOM 874 ND1 HIS B 173 0.875 -2.008 -3.738 1.00 0.26 N ATOM 875 CD2 HIS B 173 -0.494 -0.311 -3.878 1.00 0.25 C ATOM 876 CE1 HIS B 173 1.612 -0.917 -3.857 1.00 0.30 C ATOM 877 NE2 HIS B 173 0.806 0.124 -3.944 1.00 0.28 N ATOM 0 H HIS B 173 -0.307 -3.486 -1.691 1.00 0.12 H new ATOM 0 HA HIS B 173 -2.492 -1.759 -1.927 1.00 0.15 H new ATOM 0 HB2 HIS B 173 -1.183 -3.643 -3.928 1.00 0.19 H new ATOM 0 HB3 HIS B 173 -2.344 -2.406 -4.368 1.00 0.19 H new ATOM 0 HD1 HIS B 173 1.236 -2.958 -3.652 1.00 0.26 H new ATOM 0 HD2 HIS B 173 -1.379 0.306 -3.921 1.00 0.25 H new ATOM 0 HE1 HIS B 173 2.691 -0.883 -3.879 1.00 0.30 H new ATOM 886 N LEU B 174 -3.223 -4.938 -2.511 1.00 0.21 N ATOM 887 CA LEU B 174 -4.329 -5.886 -2.590 1.00 0.28 C ATOM 888 C LEU B 174 -5.143 -5.890 -1.300 1.00 0.28 C ATOM 889 O LEU B 174 -6.364 -5.740 -1.326 1.00 0.31 O ATOM 890 CB LEU B 174 -3.803 -7.293 -2.881 1.00 0.32 C ATOM 891 CG LEU B 174 -3.019 -7.435 -4.187 1.00 0.34 C ATOM 892 CD1 LEU B 174 -2.570 -8.874 -4.387 1.00 0.40 C ATOM 893 CD2 LEU B 174 -3.861 -6.970 -5.367 1.00 0.44 C ATOM 0 H LEU B 174 -2.299 -5.356 -2.623 1.00 0.21 H new ATOM 0 HA LEU B 174 -4.982 -5.573 -3.405 1.00 0.28 H new ATOM 0 HB2 LEU B 174 -3.162 -7.603 -2.055 1.00 0.32 H new ATOM 0 HB3 LEU B 174 -4.647 -7.982 -2.905 1.00 0.32 H new ATOM 0 HG LEU B 174 -2.132 -6.804 -4.126 1.00 0.34 H new ATOM 0 HD11 LEU B 174 -2.014 -8.955 -5.321 1.00 0.40 H new ATOM 0 HD12 LEU B 174 -1.931 -9.174 -3.557 1.00 0.40 H new ATOM 0 HD13 LEU B 174 -3.443 -9.525 -4.427 1.00 0.40 H new ATOM 0 HD21 LEU B 174 -3.288 -7.078 -6.288 1.00 0.44 H new ATOM 0 HD22 LEU B 174 -4.765 -7.575 -5.429 1.00 0.44 H new ATOM 0 HD23 LEU B 174 -4.133 -5.924 -5.230 1.00 0.44 H new ATOM 905 N LEU B 175 -4.461 -6.065 -0.173 1.00 0.27 N ATOM 906 CA LEU B 175 -5.126 -6.086 1.125 1.00 0.30 C ATOM 907 C LEU B 175 -5.798 -4.746 1.416 1.00 0.27 C ATOM 908 O LEU B 175 -6.925 -4.700 1.909 1.00 0.28 O ATOM 909 CB LEU B 175 -4.123 -6.422 2.231 1.00 0.33 C ATOM 910 CG LEU B 175 -3.480 -7.806 2.121 1.00 0.38 C ATOM 911 CD1 LEU B 175 -2.477 -8.019 3.244 1.00 0.43 C ATOM 912 CD2 LEU B 175 -4.544 -8.891 2.141 1.00 0.46 C ATOM 0 H LEU B 175 -3.450 -6.194 -0.132 1.00 0.27 H new ATOM 0 HA LEU B 175 -5.896 -6.857 1.098 1.00 0.30 H new ATOM 0 HB2 LEU B 175 -3.334 -5.670 2.226 1.00 0.33 H new ATOM 0 HB3 LEU B 175 -4.628 -6.348 3.194 1.00 0.33 H new ATOM 0 HG LEU B 175 -2.949 -7.864 1.171 1.00 0.38 H new ATOM 0 HD11 LEU B 175 -2.030 -9.009 3.150 1.00 0.43 H new ATOM 0 HD12 LEU B 175 -1.696 -7.261 3.183 1.00 0.43 H new ATOM 0 HD13 LEU B 175 -2.985 -7.941 4.205 1.00 0.43 H new ATOM 0 HD21 LEU B 175 -4.068 -9.869 2.062 1.00 0.46 H new ATOM 0 HD22 LEU B 175 -5.104 -8.834 3.075 1.00 0.46 H new ATOM 0 HD23 LEU B 175 -5.224 -8.749 1.301 1.00 0.46 H new ATOM 924 N ALA B 176 -5.099 -3.658 1.106 1.00 0.25 N ATOM 925 CA ALA B 176 -5.625 -2.318 1.339 1.00 0.23 C ATOM 926 C ALA B 176 -7.011 -2.150 0.721 1.00 0.20 C ATOM 927 O ALA B 176 -7.958 -1.745 1.399 1.00 0.20 O ATOM 928 CB ALA B 176 -4.668 -1.274 0.783 1.00 0.24 C ATOM 0 H ALA B 176 -4.167 -3.679 0.693 1.00 0.25 H new ATOM 0 HA ALA B 176 -5.720 -2.176 2.416 1.00 0.23 H new ATOM 0 HB1 ALA B 176 -5.072 -0.278 0.963 1.00 0.24 H new ATOM 0 HB2 ALA B 176 -3.700 -1.368 1.276 1.00 0.24 H new ATOM 0 HB3 ALA B 176 -4.545 -1.427 -0.289 1.00 0.24 H new ATOM 934 N ILE B 177 -7.130 -2.468 -0.564 1.00 0.20 N ATOM 935 CA ILE B 177 -8.406 -2.349 -1.257 1.00 0.20 C ATOM 936 C ILE B 177 -9.450 -3.259 -0.620 1.00 0.20 C ATOM 937 O ILE B 177 -10.600 -2.864 -0.430 1.00 0.20 O ATOM 938 CB ILE B 177 -8.279 -2.691 -2.755 1.00 0.24 C ATOM 939 CG1 ILE B 177 -7.205 -1.821 -3.409 1.00 0.25 C ATOM 940 CG2 ILE B 177 -9.616 -2.499 -3.456 1.00 0.26 C ATOM 941 CD1 ILE B 177 -7.100 -2.010 -4.906 1.00 0.31 C ATOM 0 H ILE B 177 -6.362 -2.808 -1.143 1.00 0.20 H new ATOM 0 HA ILE B 177 -8.722 -1.310 -1.167 1.00 0.20 H new ATOM 0 HB ILE B 177 -7.984 -3.736 -2.850 1.00 0.24 H new ATOM 0 HG12 ILE B 177 -7.420 -0.773 -3.198 1.00 0.25 H new ATOM 0 HG13 ILE B 177 -6.240 -2.046 -2.954 1.00 0.25 H new ATOM 0 HG21 ILE B 177 -9.511 -2.744 -4.513 1.00 0.26 H new ATOM 0 HG22 ILE B 177 -10.361 -3.154 -3.004 1.00 0.26 H new ATOM 0 HG23 ILE B 177 -9.935 -1.462 -3.354 1.00 0.26 H new ATOM 0 HD11 ILE B 177 -6.318 -1.361 -5.301 1.00 0.31 H new ATOM 0 HD12 ILE B 177 -6.854 -3.049 -5.125 1.00 0.31 H new ATOM 0 HD13 ILE B 177 -8.052 -1.756 -5.372 1.00 0.31 H new ATOM 953 N GLY B 178 -9.040 -4.480 -0.291 1.00 0.23 N ATOM 954 CA GLY B 178 -9.952 -5.421 0.332 1.00 0.26 C ATOM 955 C GLY B 178 -10.609 -4.835 1.565 1.00 0.24 C ATOM 956 O GLY B 178 -11.831 -4.888 1.713 1.00 0.26 O ATOM 0 H GLY B 178 -8.096 -4.834 -0.444 1.00 0.23 H new ATOM 0 HA2 GLY B 178 -10.719 -5.712 -0.385 1.00 0.26 H new ATOM 0 HA3 GLY B 178 -9.410 -6.327 0.605 1.00 0.26 H new ATOM 960 N LEU B 179 -9.793 -4.274 2.451 1.00 0.25 N ATOM 961 CA LEU B 179 -10.300 -3.664 3.672 1.00 0.28 C ATOM 962 C LEU B 179 -11.335 -2.599 3.339 1.00 0.25 C ATOM 963 O LEU B 179 -12.405 -2.545 3.945 1.00 0.29 O ATOM 964 CB LEU B 179 -9.154 -3.050 4.479 1.00 0.33 C ATOM 965 CG LEU B 179 -8.106 -4.049 4.973 1.00 0.39 C ATOM 966 CD1 LEU B 179 -7.059 -3.347 5.823 1.00 0.47 C ATOM 967 CD2 LEU B 179 -8.770 -5.168 5.760 1.00 0.43 C ATOM 0 H LEU B 179 -8.779 -4.230 2.346 1.00 0.25 H new ATOM 0 HA LEU B 179 -10.774 -4.439 4.274 1.00 0.28 H new ATOM 0 HB2 LEU B 179 -8.658 -2.299 3.864 1.00 0.33 H new ATOM 0 HB3 LEU B 179 -9.573 -2.530 5.340 1.00 0.33 H new ATOM 0 HG LEU B 179 -7.608 -4.485 4.107 1.00 0.39 H new ATOM 0 HD11 LEU B 179 -6.322 -4.073 6.166 1.00 0.47 H new ATOM 0 HD12 LEU B 179 -6.563 -2.579 5.229 1.00 0.47 H new ATOM 0 HD13 LEU B 179 -7.540 -2.885 6.685 1.00 0.47 H new ATOM 0 HD21 LEU B 179 -8.011 -5.870 6.105 1.00 0.43 H new ATOM 0 HD22 LEU B 179 -9.293 -4.748 6.619 1.00 0.43 H new ATOM 0 HD23 LEU B 179 -9.483 -5.689 5.121 1.00 0.43 H new ATOM 979 N GLY B 180 -11.010 -1.753 2.366 1.00 0.22 N ATOM 980 CA GLY B 180 -11.928 -0.707 1.959 1.00 0.23 C ATOM 981 C GLY B 180 -13.295 -1.258 1.600 1.00 0.22 C ATOM 982 O GLY B 180 -14.320 -0.679 1.960 1.00 0.27 O ATOM 0 H GLY B 180 -10.128 -1.774 1.853 1.00 0.22 H new ATOM 0 HA2 GLY B 180 -12.030 0.019 2.765 1.00 0.23 H new ATOM 0 HA3 GLY B 180 -11.515 -0.176 1.102 1.00 0.23 H new ATOM 986 N ILE B 181 -13.305 -2.381 0.889 1.00 0.21 N ATOM 987 CA ILE B 181 -14.551 -3.019 0.482 1.00 0.27 C ATOM 988 C ILE B 181 -15.389 -3.397 1.698 1.00 0.29 C ATOM 989 O ILE B 181 -16.566 -3.048 1.787 1.00 0.35 O ATOM 990 CB ILE B 181 -14.283 -4.284 -0.361 1.00 0.34 C ATOM 991 CG1 ILE B 181 -13.470 -3.930 -1.607 1.00 0.38 C ATOM 992 CG2 ILE B 181 -15.593 -4.955 -0.751 1.00 0.44 C ATOM 993 CD1 ILE B 181 -14.205 -3.023 -2.569 1.00 0.93 C ATOM 0 H ILE B 181 -12.463 -2.868 0.583 1.00 0.21 H new ATOM 0 HA ILE B 181 -15.099 -2.298 -0.125 1.00 0.27 H new ATOM 0 HB ILE B 181 -13.706 -4.985 0.242 1.00 0.34 H new ATOM 0 HG12 ILE B 181 -12.542 -3.446 -1.301 1.00 0.38 H new ATOM 0 HG13 ILE B 181 -13.195 -4.849 -2.125 1.00 0.38 H new ATOM 0 HG21 ILE B 181 -15.383 -5.845 -1.345 1.00 0.44 H new ATOM 0 HG22 ILE B 181 -16.138 -5.239 0.149 1.00 0.44 H new ATOM 0 HG23 ILE B 181 -16.197 -4.262 -1.337 1.00 0.44 H new ATOM 0 HD11 ILE B 181 -13.569 -2.813 -3.429 1.00 0.93 H new ATOM 0 HD12 ILE B 181 -15.119 -3.513 -2.904 1.00 0.93 H new ATOM 0 HD13 ILE B 181 -14.457 -2.089 -2.068 1.00 0.93 H new ATOM 1005 N TYR B 182 -14.773 -4.110 2.635 1.00 0.31 N ATOM 1006 CA TYR B 182 -15.460 -4.534 3.848 1.00 0.40 C ATOM 1007 C TYR B 182 -16.068 -3.337 4.573 1.00 0.44 C ATOM 1008 O TYR B 182 -17.249 -3.344 4.921 1.00 0.52 O ATOM 1009 CB TYR B 182 -14.490 -5.272 4.774 1.00 0.44 C ATOM 1010 CG TYR B 182 -15.166 -5.955 5.940 1.00 0.56 C ATOM 1011 CD1 TYR B 182 -15.627 -7.260 5.830 1.00 1.42 C ATOM 1012 CD2 TYR B 182 -15.341 -5.298 7.152 1.00 1.25 C ATOM 1013 CE1 TYR B 182 -16.244 -7.892 6.893 1.00 1.52 C ATOM 1014 CE2 TYR B 182 -15.957 -5.922 8.220 1.00 1.30 C ATOM 1015 CZ TYR B 182 -16.406 -7.220 8.085 1.00 0.84 C ATOM 1016 OH TYR B 182 -17.019 -7.845 9.146 1.00 0.99 O ATOM 0 H TYR B 182 -13.799 -4.406 2.577 1.00 0.31 H new ATOM 0 HA TYR B 182 -16.266 -5.211 3.565 1.00 0.40 H new ATOM 0 HB2 TYR B 182 -13.944 -6.017 4.195 1.00 0.44 H new ATOM 0 HB3 TYR B 182 -13.755 -4.563 5.156 1.00 0.44 H new ATOM 0 HD1 TYR B 182 -15.501 -7.790 4.898 1.00 1.42 H new ATOM 0 HD2 TYR B 182 -14.990 -4.283 7.261 1.00 1.25 H new ATOM 0 HE1 TYR B 182 -16.597 -8.907 6.790 1.00 1.52 H new ATOM 0 HE2 TYR B 182 -16.086 -5.397 9.155 1.00 1.30 H new ATOM 0 HH TYR B 182 -17.053 -7.233 9.911 1.00 0.99 H new ATOM 1026 N ILE B 183 -15.252 -2.311 4.797 1.00 0.44 N ATOM 1027 CA ILE B 183 -15.705 -1.105 5.482 1.00 0.55 C ATOM 1028 C ILE B 183 -16.816 -0.408 4.702 1.00 0.56 C ATOM 1029 O ILE B 183 -17.831 -0.008 5.271 1.00 0.67 O ATOM 1030 CB ILE B 183 -14.545 -0.113 5.693 1.00 0.60 C ATOM 1031 CG1 ILE B 183 -13.398 -0.791 6.444 1.00 0.63 C ATOM 1032 CG2 ILE B 183 -15.030 1.117 6.446 1.00 0.74 C ATOM 1033 CD1 ILE B 183 -12.200 0.108 6.661 1.00 1.10 C ATOM 0 H ILE B 183 -14.272 -2.291 4.514 1.00 0.44 H new ATOM 0 HA ILE B 183 -16.090 -1.420 6.452 1.00 0.55 H new ATOM 0 HB ILE B 183 -14.176 0.207 4.719 1.00 0.60 H new ATOM 0 HG12 ILE B 183 -13.762 -1.136 7.411 1.00 0.63 H new ATOM 0 HG13 ILE B 183 -13.083 -1.674 5.888 1.00 0.63 H new ATOM 0 HG21 ILE B 183 -14.199 1.808 6.587 1.00 0.74 H new ATOM 0 HG22 ILE B 183 -15.817 1.608 5.873 1.00 0.74 H new ATOM 0 HG23 ILE B 183 -15.422 0.817 7.418 1.00 0.74 H new ATOM 0 HD11 ILE B 183 -11.427 -0.440 7.199 1.00 1.10 H new ATOM 0 HD12 ILE B 183 -11.810 0.433 5.697 1.00 1.10 H new ATOM 0 HD13 ILE B 183 -12.500 0.979 7.244 1.00 1.10 H new ATOM 1045 N GLY B 184 -16.614 -0.268 3.396 1.00 0.49 N ATOM 1046 CA GLY B 184 -17.603 0.382 2.556 1.00 0.55 C ATOM 1047 C GLY B 184 -18.968 -0.270 2.657 1.00 0.61 C ATOM 1048 O GLY B 184 -19.974 0.410 2.862 1.00 0.72 O ATOM 0 H GLY B 184 -15.782 -0.594 2.904 1.00 0.49 H new ATOM 0 HA2 GLY B 184 -17.683 1.431 2.840 1.00 0.55 H new ATOM 0 HA3 GLY B 184 -17.268 0.357 1.519 1.00 0.55 H new ATOM 1052 N ARG B 185 -19.001 -1.589 2.513 1.00 0.58 N ATOM 1053 CA ARG B 185 -20.250 -2.336 2.586 1.00 0.70 C ATOM 1054 C ARG B 185 -20.916 -2.170 3.952 1.00 0.81 C ATOM 1055 O ARG B 185 -22.110 -2.427 4.101 1.00 0.96 O ATOM 1056 CB ARG B 185 -19.999 -3.817 2.301 1.00 0.71 C ATOM 1057 CG ARG B 185 -19.022 -4.464 3.260 1.00 0.66 C ATOM 1058 CD ARG B 185 -19.090 -5.981 3.180 1.00 0.80 C ATOM 1059 NE ARG B 185 -18.806 -6.468 1.835 1.00 1.20 N ATOM 1060 CZ ARG B 185 -18.852 -7.751 1.492 1.00 1.57 C ATOM 1061 NH1 ARG B 185 -19.159 -8.670 2.398 1.00 1.68 N ATOM 1062 NH2 ARG B 185 -18.589 -8.117 0.245 1.00 2.16 N ATOM 0 H ARG B 185 -18.176 -2.164 2.345 1.00 0.58 H new ATOM 0 HA ARG B 185 -20.925 -1.936 1.829 1.00 0.70 H new ATOM 0 HB2 ARG B 185 -20.947 -4.352 2.346 1.00 0.71 H new ATOM 0 HB3 ARG B 185 -19.621 -3.923 1.284 1.00 0.71 H new ATOM 0 HG2 ARG B 185 -18.010 -4.131 3.031 1.00 0.66 H new ATOM 0 HG3 ARG B 185 -19.241 -4.141 4.278 1.00 0.66 H new ATOM 0 HD2 ARG B 185 -18.376 -6.414 3.881 1.00 0.80 H new ATOM 0 HD3 ARG B 185 -20.081 -6.317 3.486 1.00 0.80 H new ATOM 0 HE ARG B 185 -18.558 -5.786 1.118 1.00 1.20 H new ATOM 0 HH11 ARG B 185 -19.360 -8.392 3.359 1.00 1.68 H new ATOM 0 HH12 ARG B 185 -19.194 -9.655 2.134 1.00 1.68 H new ATOM 0 HH21 ARG B 185 -18.351 -7.413 -0.454 1.00 2.16 H new ATOM 0 HH22 ARG B 185 -18.625 -9.102 -0.016 1.00 2.16 H new