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= -1.28! C(o=-0.16!,f=-6.6!) USER MOD Set 1.2: B 172 SER OG : rot 72:sc= 1.12 USER MOD Set 2.1: A 172 SER OG : rot -124:sc= 0.414 USER MOD Set 2.2: B 173 HIS : no HE2:sc= -2.07! C(o=-1.7!,f=-8.5!) 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 6.502 8.448 1.453 1.00 0.73 N ATOM 209 CA PRO A 167 5.146 8.937 1.201 1.00 0.67 C ATOM 210 C PRO A 167 4.420 8.111 0.144 1.00 0.55 C ATOM 211 O PRO A 167 3.201 7.950 0.196 1.00 0.58 O ATOM 212 CB PRO A 167 5.375 10.365 0.710 1.00 0.86 C ATOM 213 CG PRO A 167 6.717 10.334 0.066 1.00 0.98 C ATOM 214 CD PRO A 167 7.523 9.286 0.791 1.00 0.91 C ATOM 0 HA PRO A 167 4.514 8.875 2.087 1.00 0.67 H new ATOM 0 HB2 PRO A 167 4.603 10.669 0.003 1.00 0.86 H new ATOM 0 HB3 PRO A 167 5.348 11.076 1.535 1.00 0.86 H new ATOM 0 HG2 PRO A 167 6.632 10.092 -0.993 1.00 0.98 H new ATOM 0 HG3 PRO A 167 7.201 11.309 0.133 1.00 0.98 H new ATOM 0 HD2 PRO A 167 8.133 8.703 0.101 1.00 0.91 H new ATOM 0 HD3 PRO A 167 8.203 9.735 1.515 1.00 0.91 H new ATOM 222 N SER A 168 5.177 7.588 -0.816 1.00 0.55 N ATOM 223 CA SER A 168 4.603 6.771 -1.879 1.00 0.52 C ATOM 224 C SER A 168 3.846 5.584 -1.293 1.00 0.39 C ATOM 225 O SER A 168 2.751 5.247 -1.743 1.00 0.33 O ATOM 226 CB SER A 168 5.702 6.274 -2.820 1.00 0.66 C ATOM 227 OG SER A 168 5.161 5.488 -3.868 1.00 1.47 O ATOM 0 H SER A 168 6.187 7.715 -0.879 1.00 0.55 H new ATOM 0 HA SER A 168 3.904 7.388 -2.444 1.00 0.52 H new ATOM 0 HB2 SER A 168 6.238 7.125 -3.240 1.00 0.66 H new ATOM 0 HB3 SER A 168 6.428 5.686 -2.258 1.00 0.66 H new ATOM 0 HG SER A 168 5.884 5.184 -4.456 1.00 1.47 H new ATOM 233 N LEU A 169 4.440 4.956 -0.285 1.00 0.40 N ATOM 234 CA LEU A 169 3.826 3.810 0.370 1.00 0.36 C ATOM 235 C LEU A 169 2.498 4.200 1.010 1.00 0.28 C ATOM 236 O LEU A 169 1.475 3.554 0.784 1.00 0.26 O ATOM 237 CB LEU A 169 4.768 3.241 1.433 1.00 0.47 C ATOM 238 CG LEU A 169 6.103 2.717 0.903 1.00 0.59 C ATOM 239 CD1 LEU A 169 7.000 2.285 2.053 1.00 0.73 C ATOM 240 CD2 LEU A 169 5.877 1.564 -0.062 1.00 0.62 C ATOM 0 H LEU A 169 5.348 5.223 0.096 1.00 0.40 H new ATOM 0 HA LEU A 169 3.637 3.047 -0.385 1.00 0.36 H new ATOM 0 HB2 LEU A 169 4.968 4.017 2.172 1.00 0.47 H new ATOM 0 HB3 LEU A 169 4.257 2.430 1.952 1.00 0.47 H new ATOM 0 HG LEU A 169 6.601 3.523 0.364 1.00 0.59 H new ATOM 0 HD11 LEU A 169 7.946 1.915 1.657 1.00 0.73 H new ATOM 0 HD12 LEU A 169 7.189 3.136 2.707 1.00 0.73 H new ATOM 0 HD13 LEU A 169 6.509 1.494 2.620 1.00 0.73 H new ATOM 0 HD21 LEU A 169 6.838 1.203 -0.429 1.00 0.62 H new ATOM 0 HD22 LEU A 169 5.359 0.755 0.453 1.00 0.62 H new ATOM 0 HD23 LEU A 169 5.272 1.906 -0.902 1.00 0.62 H new ATOM 252 N LEU A 170 2.526 5.262 1.808 1.00 0.31 N ATOM 253 CA LEU A 170 1.326 5.745 2.482 1.00 0.33 C ATOM 254 C LEU A 170 0.192 5.958 1.484 1.00 0.26 C ATOM 255 O LEU A 170 -0.931 5.505 1.701 1.00 0.27 O ATOM 256 CB LEU A 170 1.625 7.050 3.222 1.00 0.42 C ATOM 257 CG LEU A 170 2.712 6.951 4.294 1.00 0.52 C ATOM 258 CD1 LEU A 170 2.927 8.300 4.960 1.00 0.63 C ATOM 259 CD2 LEU A 170 2.346 5.896 5.328 1.00 0.60 C ATOM 0 H LEU A 170 3.367 5.805 2.004 1.00 0.31 H new ATOM 0 HA LEU A 170 1.013 4.990 3.203 1.00 0.33 H new ATOM 0 HB2 LEU A 170 1.922 7.804 2.493 1.00 0.42 H new ATOM 0 HB3 LEU A 170 0.706 7.404 3.689 1.00 0.42 H new ATOM 0 HG LEU A 170 3.644 6.653 3.814 1.00 0.52 H new ATOM 0 HD11 LEU A 170 3.703 8.211 5.720 1.00 0.63 H new ATOM 0 HD12 LEU A 170 3.234 9.031 4.211 1.00 0.63 H new ATOM 0 HD13 LEU A 170 1.998 8.627 5.427 1.00 0.63 H new ATOM 0 HD21 LEU A 170 3.130 5.839 6.083 1.00 0.60 H new ATOM 0 HD22 LEU A 170 1.403 6.165 5.804 1.00 0.60 H new ATOM 0 HD23 LEU A 170 2.242 4.928 4.839 1.00 0.60 H new ATOM 271 N LEU A 171 0.493 6.648 0.388 1.00 0.23 N ATOM 272 CA LEU A 171 -0.502 6.918 -0.643 1.00 0.22 C ATOM 273 C LEU A 171 -1.121 5.620 -1.150 1.00 0.18 C ATOM 274 O LEU A 171 -2.334 5.532 -1.342 1.00 0.21 O ATOM 275 CB LEU A 171 0.131 7.683 -1.808 1.00 0.26 C ATOM 276 CG LEU A 171 0.677 9.068 -1.455 1.00 0.33 C ATOM 277 CD1 LEU A 171 1.328 9.712 -2.670 1.00 0.39 C ATOM 278 CD2 LEU A 171 -0.433 9.955 -0.910 1.00 0.40 C ATOM 0 H LEU A 171 1.418 7.030 0.191 1.00 0.23 H new ATOM 0 HA LEU A 171 -1.289 7.530 -0.202 1.00 0.22 H new ATOM 0 HB2 LEU A 171 0.944 7.083 -2.218 1.00 0.26 H new ATOM 0 HB3 LEU A 171 -0.613 7.793 -2.597 1.00 0.26 H new ATOM 0 HG LEU A 171 1.436 8.952 -0.681 1.00 0.33 H new ATOM 0 HD11 LEU A 171 1.710 10.696 -2.399 1.00 0.39 H new ATOM 0 HD12 LEU A 171 2.150 9.086 -3.017 1.00 0.39 H new ATOM 0 HD13 LEU A 171 0.590 9.816 -3.466 1.00 0.39 H new ATOM 0 HD21 LEU A 171 -0.027 10.936 -0.664 1.00 0.40 H new ATOM 0 HD22 LEU A 171 -1.214 10.064 -1.662 1.00 0.40 H new ATOM 0 HD23 LEU A 171 -0.854 9.501 -0.013 1.00 0.40 H new ATOM 290 N SER A 172 -0.281 4.612 -1.364 1.00 0.16 N ATOM 291 CA SER A 172 -0.750 3.319 -1.847 1.00 0.16 C ATOM 292 C SER A 172 -1.801 2.737 -0.908 1.00 0.15 C ATOM 293 O SER A 172 -2.892 2.361 -1.337 1.00 0.19 O ATOM 294 CB SER A 172 0.424 2.349 -1.980 1.00 0.19 C ATOM 295 OG SER A 172 1.357 2.805 -2.945 1.00 0.23 O ATOM 0 H SER A 172 0.726 4.666 -1.211 1.00 0.16 H new ATOM 0 HA SER A 172 -1.206 3.466 -2.826 1.00 0.16 H new ATOM 0 HB2 SER A 172 0.919 2.238 -1.015 1.00 0.19 H new ATOM 0 HB3 SER A 172 0.055 1.363 -2.264 1.00 0.19 H new ATOM 0 HG SER A 172 1.494 2.110 -3.622 1.00 0.23 H new ATOM 301 N HIS A 173 -1.464 2.666 0.375 1.00 0.13 N ATOM 302 CA HIS A 173 -2.377 2.132 1.378 1.00 0.17 C ATOM 303 C HIS A 173 -3.642 2.979 1.467 1.00 0.22 C ATOM 304 O HIS A 173 -4.756 2.464 1.379 1.00 0.27 O ATOM 305 CB HIS A 173 -1.693 2.079 2.745 1.00 0.20 C ATOM 306 CG HIS A 173 -0.469 1.218 2.771 1.00 0.20 C ATOM 307 ND1 HIS A 173 0.800 1.705 2.540 1.00 0.25 N ATOM 308 CD2 HIS A 173 -0.322 -0.107 3.014 1.00 0.25 C ATOM 309 CE1 HIS A 173 1.673 0.718 2.636 1.00 0.29 C ATOM 310 NE2 HIS A 173 1.017 -0.391 2.925 1.00 0.27 N ATOM 0 H HIS A 173 -0.564 2.972 0.745 1.00 0.13 H new ATOM 0 HA HIS A 173 -2.655 1.122 1.077 1.00 0.17 H new ATOM 0 HB2 HIS A 173 -1.421 3.091 3.045 1.00 0.20 H new ATOM 0 HB3 HIS A 173 -2.404 1.708 3.483 1.00 0.20 H new ATOM 0 HD1 HIS A 173 1.029 2.676 2.328 1.00 0.25 H new ATOM 0 HD2 HIS A 173 -1.112 -0.809 3.236 1.00 0.25 H new ATOM 0 HE1 HIS A 173 2.741 0.804 2.501 1.00 0.29 H new ATOM 0 HE2 HIS A 173 1.438 -1.310 3.060 1.00 0.27 H new ATOM 319 N LEU A 174 -3.460 4.284 1.638 1.00 0.23 N ATOM 320 CA LEU A 174 -4.583 5.207 1.743 1.00 0.29 C ATOM 321 C LEU A 174 -5.456 5.150 0.494 1.00 0.29 C ATOM 322 O LEU A 174 -6.673 4.984 0.580 1.00 0.34 O ATOM 323 CB LEU A 174 -4.075 6.635 1.958 1.00 0.32 C ATOM 324 CG LEU A 174 -3.237 6.839 3.220 1.00 0.36 C ATOM 325 CD1 LEU A 174 -2.715 8.266 3.288 1.00 0.41 C ATOM 326 CD2 LEU A 174 -4.053 6.507 4.460 1.00 0.47 C ATOM 0 H LEU A 174 -2.544 4.727 1.707 1.00 0.23 H new ATOM 0 HA LEU A 174 -5.187 4.908 2.599 1.00 0.29 H new ATOM 0 HB2 LEU A 174 -3.479 6.927 1.093 1.00 0.32 H new ATOM 0 HB3 LEU A 174 -4.932 7.308 1.996 1.00 0.32 H new ATOM 0 HG LEU A 174 -2.383 6.163 3.180 1.00 0.36 H new ATOM 0 HD11 LEU A 174 -2.121 8.393 4.193 1.00 0.41 H new ATOM 0 HD12 LEU A 174 -2.095 8.469 2.415 1.00 0.41 H new ATOM 0 HD13 LEU A 174 -3.555 8.960 3.305 1.00 0.41 H new ATOM 0 HD21 LEU A 174 -3.441 6.658 5.349 1.00 0.47 H new ATOM 0 HD22 LEU A 174 -4.926 7.158 4.506 1.00 0.47 H new ATOM 0 HD23 LEU A 174 -4.377 5.467 4.415 1.00 0.47 H new ATOM 338 N LEU A 175 -4.826 5.289 -0.669 1.00 0.26 N ATOM 339 CA LEU A 175 -5.545 5.253 -1.935 1.00 0.28 C ATOM 340 C LEU A 175 -6.253 3.915 -2.124 1.00 0.27 C ATOM 341 O LEU A 175 -7.401 3.867 -2.568 1.00 0.29 O ATOM 342 CB LEU A 175 -4.584 5.509 -3.098 1.00 0.30 C ATOM 343 CG LEU A 175 -4.016 6.929 -3.171 1.00 0.33 C ATOM 344 CD1 LEU A 175 -3.033 7.051 -4.325 1.00 0.37 C ATOM 345 CD2 LEU A 175 -5.139 7.946 -3.314 1.00 0.41 C ATOM 0 H LEU A 175 -3.819 5.427 -0.759 1.00 0.26 H new ATOM 0 HA LEU A 175 -6.300 6.039 -1.918 1.00 0.28 H new ATOM 0 HB2 LEU A 175 -3.754 4.806 -3.025 1.00 0.30 H new ATOM 0 HB3 LEU A 175 -5.103 5.294 -4.032 1.00 0.30 H new ATOM 0 HG LEU A 175 -3.483 7.135 -2.243 1.00 0.33 H new ATOM 0 HD11 LEU A 175 -2.639 8.067 -4.362 1.00 0.37 H new ATOM 0 HD12 LEU A 175 -2.212 6.349 -4.180 1.00 0.37 H new ATOM 0 HD13 LEU A 175 -3.542 6.825 -5.262 1.00 0.37 H new ATOM 0 HD21 LEU A 175 -4.717 8.950 -3.364 1.00 0.41 H new ATOM 0 HD22 LEU A 175 -5.700 7.742 -4.226 1.00 0.41 H new ATOM 0 HD23 LEU A 175 -5.805 7.875 -2.454 1.00 0.41 H new ATOM 357 N ALA A 176 -5.566 2.829 -1.783 1.00 0.26 N ATOM 358 CA ALA A 176 -6.136 1.493 -1.914 1.00 0.27 C ATOM 359 C ALA A 176 -7.449 1.385 -1.147 1.00 0.26 C ATOM 360 O ALA A 176 -8.473 0.972 -1.696 1.00 0.27 O ATOM 361 CB ALA A 176 -5.147 0.449 -1.421 1.00 0.27 C ATOM 0 H ALA A 176 -4.615 2.848 -1.414 1.00 0.26 H new ATOM 0 HA ALA A 176 -6.343 1.311 -2.969 1.00 0.27 H new ATOM 0 HB1 ALA A 176 -5.585 -0.544 -1.524 1.00 0.27 H new ATOM 0 HB2 ALA A 176 -4.233 0.506 -2.012 1.00 0.27 H new ATOM 0 HB3 ALA A 176 -4.913 0.635 -0.373 1.00 0.27 H new ATOM 367 N ILE A 177 -7.412 1.762 0.127 1.00 0.27 N ATOM 368 CA ILE A 177 -8.598 1.719 0.969 1.00 0.28 C ATOM 369 C ILE A 177 -9.705 2.579 0.374 1.00 0.26 C ATOM 370 O ILE A 177 -10.873 2.194 0.373 1.00 0.26 O ATOM 371 CB ILE A 177 -8.287 2.199 2.401 1.00 0.31 C ATOM 372 CG1 ILE A 177 -7.198 1.325 3.026 1.00 0.36 C ATOM 373 CG2 ILE A 177 -9.545 2.180 3.258 1.00 0.33 C ATOM 374 CD1 ILE A 177 -6.772 1.782 4.404 1.00 0.62 C ATOM 0 H ILE A 177 -6.573 2.100 0.597 1.00 0.27 H new ATOM 0 HA ILE A 177 -8.930 0.682 1.016 1.00 0.28 H new ATOM 0 HB ILE A 177 -7.924 3.226 2.352 1.00 0.31 H new ATOM 0 HG12 ILE A 177 -7.559 0.298 3.088 1.00 0.36 H new ATOM 0 HG13 ILE A 177 -6.328 1.318 2.369 1.00 0.36 H new ATOM 0 HG21 ILE A 177 -9.305 2.522 4.265 1.00 0.33 H new ATOM 0 HG22 ILE A 177 -10.294 2.840 2.820 1.00 0.33 H new ATOM 0 HG23 ILE A 177 -9.939 1.165 3.304 1.00 0.33 H new ATOM 0 HD11 ILE A 177 -5.998 1.116 4.785 1.00 0.62 H new ATOM 0 HD12 ILE A 177 -6.381 2.798 4.346 1.00 0.62 H new ATOM 0 HD13 ILE A 177 -7.630 1.762 5.075 1.00 0.62 H new ATOM 386 N GLY A 178 -9.326 3.751 -0.130 1.00 0.26 N ATOM 387 CA GLY A 178 -10.293 4.647 -0.731 1.00 0.27 C ATOM 388 C GLY A 178 -11.085 3.975 -1.835 1.00 0.26 C ATOM 389 O GLY A 178 -12.306 4.121 -1.911 1.00 0.28 O ATOM 0 H GLY A 178 -8.365 4.094 -0.132 1.00 0.26 H new ATOM 0 HA2 GLY A 178 -10.977 5.009 0.037 1.00 0.27 H new ATOM 0 HA3 GLY A 178 -9.777 5.518 -1.134 1.00 0.27 H new ATOM 393 N LEU A 179 -10.389 3.237 -2.695 1.00 0.25 N ATOM 394 CA LEU A 179 -11.038 2.535 -3.796 1.00 0.27 C ATOM 395 C LEU A 179 -12.045 1.524 -3.260 1.00 0.26 C ATOM 396 O LEU A 179 -13.180 1.452 -3.729 1.00 0.28 O ATOM 397 CB LEU A 179 -10.001 1.818 -4.664 1.00 0.33 C ATOM 398 CG LEU A 179 -8.928 2.719 -5.274 1.00 0.36 C ATOM 399 CD1 LEU A 179 -8.010 1.914 -6.182 1.00 0.43 C ATOM 400 CD2 LEU A 179 -9.568 3.866 -6.043 1.00 0.43 C ATOM 0 H LEU A 179 -9.378 3.110 -2.650 1.00 0.25 H new ATOM 0 HA LEU A 179 -11.561 3.271 -4.407 1.00 0.27 H new ATOM 0 HB2 LEU A 179 -9.511 1.054 -4.060 1.00 0.33 H new ATOM 0 HB3 LEU A 179 -10.521 1.302 -5.471 1.00 0.33 H new ATOM 0 HG LEU A 179 -8.330 3.139 -4.465 1.00 0.36 H new ATOM 0 HD11 LEU A 179 -7.252 2.571 -6.608 1.00 0.43 H new ATOM 0 HD12 LEU A 179 -7.525 1.127 -5.604 1.00 0.43 H new ATOM 0 HD13 LEU A 179 -8.595 1.466 -6.985 1.00 0.43 H new ATOM 0 HD21 LEU A 179 -8.789 4.497 -6.470 1.00 0.43 H new ATOM 0 HD22 LEU A 179 -10.190 3.465 -6.843 1.00 0.43 H new ATOM 0 HD23 LEU A 179 -10.184 4.458 -5.367 1.00 0.43 H new ATOM 412 N GLY A 180 -11.616 0.744 -2.273 1.00 0.25 N ATOM 413 CA GLY A 180 -12.489 -0.254 -1.686 1.00 0.27 C ATOM 414 C GLY A 180 -13.816 0.326 -1.234 1.00 0.26 C ATOM 415 O GLY A 180 -14.878 -0.175 -1.601 1.00 0.29 O ATOM 0 H GLY A 180 -10.680 0.786 -1.870 1.00 0.25 H new ATOM 0 HA2 GLY A 180 -12.671 -1.045 -2.413 1.00 0.27 H new ATOM 0 HA3 GLY A 180 -11.988 -0.714 -0.834 1.00 0.27 H new ATOM 419 N ILE A 181 -13.757 1.387 -0.436 1.00 0.28 N ATOM 420 CA ILE A 181 -14.968 2.029 0.063 1.00 0.34 C ATOM 421 C ILE A 181 -15.808 2.579 -1.084 1.00 0.32 C ATOM 422 O ILE A 181 -17.030 2.436 -1.094 1.00 0.36 O ATOM 423 CB ILE A 181 -14.637 3.167 1.050 1.00 0.42 C ATOM 424 CG1 ILE A 181 -13.843 2.620 2.238 1.00 0.49 C ATOM 425 CG2 ILE A 181 -15.912 3.850 1.528 1.00 0.49 C ATOM 426 CD1 ILE A 181 -13.575 3.650 3.312 1.00 0.89 C ATOM 0 H ILE A 181 -12.888 1.819 -0.122 1.00 0.28 H new ATOM 0 HA ILE A 181 -15.540 1.266 0.590 1.00 0.34 H new ATOM 0 HB ILE A 181 -14.027 3.908 0.534 1.00 0.42 H new ATOM 0 HG12 ILE A 181 -14.389 1.784 2.676 1.00 0.49 H new ATOM 0 HG13 ILE A 181 -12.892 2.226 1.879 1.00 0.49 H new ATOM 0 HG21 ILE A 181 -15.658 4.650 2.223 1.00 0.49 H new ATOM 0 HG22 ILE A 181 -16.443 4.268 0.673 1.00 0.49 H new ATOM 0 HG23 ILE A 181 -16.549 3.122 2.030 1.00 0.49 H new ATOM 0 HD11 ILE A 181 -13.008 3.192 4.122 1.00 0.89 H new ATOM 0 HD12 ILE A 181 -13.002 4.475 2.890 1.00 0.89 H new ATOM 0 HD13 ILE A 181 -14.522 4.027 3.699 1.00 0.89 H new ATOM 438 N TYR A 182 -15.147 3.207 -2.050 1.00 0.31 N ATOM 439 CA TYR A 182 -15.839 3.772 -3.202 1.00 0.35 C ATOM 440 C TYR A 182 -16.743 2.730 -3.852 1.00 0.36 C ATOM 441 O TYR A 182 -17.924 2.975 -4.088 1.00 0.42 O ATOM 442 CB TYR A 182 -14.830 4.298 -4.223 1.00 0.39 C ATOM 443 CG TYR A 182 -15.466 4.770 -5.511 1.00 0.51 C ATOM 444 CD1 TYR A 182 -16.045 6.030 -5.603 1.00 1.43 C ATOM 445 CD2 TYR A 182 -15.490 3.953 -6.635 1.00 1.19 C ATOM 446 CE1 TYR A 182 -16.628 6.463 -6.778 1.00 1.56 C ATOM 447 CE2 TYR A 182 -16.072 4.379 -7.814 1.00 1.21 C ATOM 448 CZ TYR A 182 -16.639 5.634 -7.880 1.00 0.81 C ATOM 449 OH TYR A 182 -17.220 6.061 -9.052 1.00 0.98 O ATOM 0 H TYR A 182 -14.135 3.337 -2.058 1.00 0.31 H new ATOM 0 HA TYR A 182 -16.457 4.601 -2.856 1.00 0.35 H new ATOM 0 HB2 TYR A 182 -14.272 5.122 -3.779 1.00 0.39 H new ATOM 0 HB3 TYR A 182 -14.110 3.511 -4.449 1.00 0.39 H new ATOM 0 HD1 TYR A 182 -16.039 6.681 -4.742 1.00 1.43 H new ATOM 0 HD2 TYR A 182 -15.047 2.969 -6.586 1.00 1.19 H new ATOM 0 HE1 TYR A 182 -17.073 7.446 -6.833 1.00 1.56 H new ATOM 0 HE2 TYR A 182 -16.083 3.732 -8.679 1.00 1.21 H new ATOM 0 HH TYR A 182 -17.142 5.358 -9.731 1.00 0.98 H new ATOM 459 N ILE A 183 -16.174 1.572 -4.157 1.00 0.35 N ATOM 460 CA ILE A 183 -16.933 0.490 -4.771 1.00 0.43 C ATOM 461 C ILE A 183 -18.037 -0.007 -3.841 1.00 0.45 C ATOM 462 O ILE A 183 -19.186 -0.164 -4.252 1.00 0.55 O ATOM 463 CB ILE A 183 -16.017 -0.691 -5.146 1.00 0.48 C ATOM 464 CG1 ILE A 183 -14.894 -0.215 -6.070 1.00 0.54 C ATOM 465 CG2 ILE A 183 -16.825 -1.796 -5.809 1.00 0.56 C ATOM 466 CD1 ILE A 183 -13.890 -1.295 -6.413 1.00 0.83 C ATOM 0 H ILE A 183 -15.191 1.357 -3.990 1.00 0.35 H new ATOM 0 HA ILE A 183 -17.385 0.893 -5.678 1.00 0.43 H new ATOM 0 HB ILE A 183 -15.570 -1.092 -4.236 1.00 0.48 H new ATOM 0 HG12 ILE A 183 -15.332 0.168 -6.992 1.00 0.54 H new ATOM 0 HG13 ILE A 183 -14.373 0.616 -5.595 1.00 0.54 H new ATOM 0 HG21 ILE A 183 -16.165 -2.624 -6.068 1.00 0.56 H new ATOM 0 HG22 ILE A 183 -17.594 -2.147 -5.121 1.00 0.56 H new ATOM 0 HG23 ILE A 183 -17.296 -1.410 -6.713 1.00 0.56 H new ATOM 0 HD11 ILE A 183 -13.124 -0.884 -7.071 1.00 0.83 H new ATOM 0 HD12 ILE A 183 -13.424 -1.662 -5.499 1.00 0.83 H new ATOM 0 HD13 ILE A 183 -14.398 -2.117 -6.917 1.00 0.83 H new ATOM 478 N GLY A 184 -17.673 -0.254 -2.584 1.00 0.40 N ATOM 479 CA GLY A 184 -18.633 -0.745 -1.610 1.00 0.46 C ATOM 480 C GLY A 184 -19.773 0.222 -1.335 1.00 0.52 C ATOM 481 O GLY A 184 -20.942 -0.152 -1.426 1.00 0.64 O ATOM 0 H GLY A 184 -16.728 -0.122 -2.223 1.00 0.40 H new ATOM 0 HA2 GLY A 184 -19.047 -1.689 -1.965 1.00 0.46 H new ATOM 0 HA3 GLY A 184 -18.113 -0.956 -0.675 1.00 0.46 H new ATOM 485 N ARG A 185 -19.439 1.465 -0.998 1.00 0.48 N ATOM 486 CA ARG A 185 -20.457 2.469 -0.698 1.00 0.59 C ATOM 487 C ARG A 185 -21.446 2.600 -1.853 1.00 0.67 C ATOM 488 O ARG A 185 -22.586 3.022 -1.660 1.00 0.83 O ATOM 489 CB ARG A 185 -19.810 3.823 -0.395 1.00 0.59 C ATOM 490 CG ARG A 185 -19.169 4.485 -1.601 1.00 0.51 C ATOM 491 CD ARG A 185 -20.134 5.427 -2.304 1.00 0.85 C ATOM 492 NE ARG A 185 -20.524 6.547 -1.451 1.00 1.32 N ATOM 493 CZ ARG A 185 -21.330 7.528 -1.845 1.00 1.98 C ATOM 494 NH1 ARG A 185 -21.838 7.519 -3.070 1.00 2.27 N ATOM 495 NH2 ARG A 185 -21.633 8.516 -1.013 1.00 2.54 N ATOM 0 H ARG A 185 -18.478 1.800 -0.926 1.00 0.48 H new ATOM 0 HA ARG A 185 -21.003 2.141 0.187 1.00 0.59 H new ATOM 0 HB2 ARG A 185 -20.567 4.492 0.014 1.00 0.59 H new ATOM 0 HB3 ARG A 185 -19.053 3.688 0.377 1.00 0.59 H new ATOM 0 HG2 ARG A 185 -18.285 5.039 -1.285 1.00 0.51 H new ATOM 0 HG3 ARG A 185 -18.833 3.720 -2.301 1.00 0.51 H new ATOM 0 HD2 ARG A 185 -19.670 5.808 -3.214 1.00 0.85 H new ATOM 0 HD3 ARG A 185 -21.024 4.875 -2.607 1.00 0.85 H new ATOM 0 HE ARG A 185 -20.157 6.578 -0.500 1.00 1.32 H new ATOM 0 HH11 ARG A 185 -21.610 6.759 -3.711 1.00 2.27 H new ATOM 0 HH12 ARG A 185 -22.456 8.272 -3.371 1.00 2.27 H new ATOM 0 HH21 ARG A 185 -21.247 8.524 -0.069 1.00 2.54 H new ATOM 0 HH22 ARG A 185 -22.252 9.268 -1.318 1.00 2.54 H new ATOM 509 N ARG A 186 -21.002 2.236 -3.052 1.00 0.63 N ATOM 510 CA ARG A 186 -21.852 2.303 -4.234 1.00 0.74 C ATOM 511 C ARG A 186 -22.755 1.077 -4.324 1.00 0.85 C ATOM 512 O ARG A 186 -23.821 1.123 -4.934 1.00 1.06 O ATOM 513 CB ARG A 186 -20.998 2.414 -5.499 1.00 0.80 C ATOM 514 CG ARG A 186 -20.322 3.765 -5.662 1.00 1.24 C ATOM 515 CD ARG A 186 -19.408 3.791 -6.876 1.00 1.58 C ATOM 516 NE ARG A 186 -20.132 3.516 -8.117 1.00 2.38 N ATOM 517 CZ ARG A 186 -20.305 2.298 -8.628 1.00 2.95 C ATOM 518 NH1 ARG A 186 -19.823 1.227 -8.008 1.00 2.93 N ATOM 519 NH2 ARG A 186 -20.967 2.149 -9.767 1.00 3.95 N ATOM 0 H ARG A 186 -20.058 1.892 -3.230 1.00 0.63 H new ATOM 0 HA ARG A 186 -22.479 3.190 -4.149 1.00 0.74 H new ATOM 0 HB2 ARG A 186 -20.235 1.636 -5.481 1.00 0.80 H new ATOM 0 HB3 ARG A 186 -21.627 2.225 -6.369 1.00 0.80 H new ATOM 0 HG2 ARG A 186 -21.080 4.542 -5.760 1.00 1.24 H new ATOM 0 HG3 ARG A 186 -19.745 3.994 -4.766 1.00 1.24 H new ATOM 0 HD2 ARG A 186 -18.927 4.767 -6.946 1.00 1.58 H new ATOM 0 HD3 ARG A 186 -18.616 3.054 -6.748 1.00 1.58 H new ATOM 0 HE ARG A 186 -20.530 4.307 -8.623 1.00 2.38 H new ATOM 0 HH11 ARG A 186 -19.314 1.332 -7.130 1.00 2.93 H new ATOM 0 HH12 ARG A 186 -19.962 0.300 -8.409 1.00 2.93 H new ATOM 0 HH21 ARG A 186 -21.342 2.966 -10.249 1.00 3.95 H new ATOM 0 HH22 ARG A 186 -21.101 1.218 -10.161 1.00 3.95 H new ATOM 775 N PRO B 167 7.104 -8.555 -2.086 1.00 0.73 N ATOM 776 CA PRO B 167 5.751 -9.074 -1.889 1.00 0.63 C ATOM 777 C PRO B 167 4.890 -8.156 -1.029 1.00 0.56 C ATOM 778 O PRO B 167 3.687 -8.028 -1.255 1.00 0.69 O ATOM 779 CB PRO B 167 5.994 -10.403 -1.176 1.00 0.87 C ATOM 780 CG PRO B 167 7.248 -10.189 -0.401 1.00 1.07 C ATOM 781 CD PRO B 167 8.078 -9.208 -1.190 1.00 0.96 C ATOM 0 HA PRO B 167 5.206 -9.165 -2.829 1.00 0.63 H new ATOM 0 HB2 PRO B 167 5.162 -10.659 -0.521 1.00 0.87 H new ATOM 0 HB3 PRO B 167 6.103 -11.221 -1.888 1.00 0.87 H new ATOM 0 HG2 PRO B 167 7.028 -9.799 0.593 1.00 1.07 H new ATOM 0 HG3 PRO B 167 7.784 -11.128 -0.264 1.00 1.07 H new ATOM 0 HD2 PRO B 167 8.568 -8.485 -0.538 1.00 0.96 H new ATOM 0 HD3 PRO B 167 8.863 -9.712 -1.754 1.00 0.96 H new ATOM 789 N SER B 168 5.512 -7.519 -0.043 1.00 0.55 N ATOM 790 CA SER B 168 4.798 -6.613 0.851 1.00 0.55 C ATOM 791 C SER B 168 4.029 -5.558 0.063 1.00 0.44 C ATOM 792 O SER B 168 2.872 -5.265 0.365 1.00 0.41 O ATOM 793 CB SER B 168 5.777 -5.936 1.811 1.00 0.72 C ATOM 794 OG SER B 168 6.434 -6.889 2.627 1.00 1.59 O ATOM 0 H SER B 168 6.508 -7.613 0.158 1.00 0.55 H new ATOM 0 HA SER B 168 4.082 -7.201 1.425 1.00 0.55 H new ATOM 0 HB2 SER B 168 6.515 -5.369 1.243 1.00 0.72 H new ATOM 0 HB3 SER B 168 5.242 -5.223 2.438 1.00 0.72 H new ATOM 0 HG SER B 168 7.055 -6.430 3.230 1.00 1.59 H new ATOM 800 N LEU B 169 4.677 -4.992 -0.951 1.00 0.46 N ATOM 801 CA LEU B 169 4.053 -3.966 -1.778 1.00 0.45 C ATOM 802 C LEU B 169 2.727 -4.454 -2.355 1.00 0.33 C ATOM 803 O LEU B 169 1.704 -3.779 -2.239 1.00 0.31 O ATOM 804 CB LEU B 169 4.995 -3.549 -2.910 1.00 0.60 C ATOM 805 CG LEU B 169 6.274 -2.843 -2.458 1.00 0.77 C ATOM 806 CD1 LEU B 169 7.138 -2.486 -3.658 1.00 1.09 C ATOM 807 CD2 LEU B 169 5.938 -1.597 -1.651 1.00 0.77 C ATOM 0 H LEU B 169 5.633 -5.227 -1.219 1.00 0.46 H new ATOM 0 HA LEU B 169 3.852 -3.102 -1.145 1.00 0.45 H new ATOM 0 HB2 LEU B 169 5.270 -4.437 -3.480 1.00 0.60 H new ATOM 0 HB3 LEU B 169 4.454 -2.889 -3.589 1.00 0.60 H new ATOM 0 HG LEU B 169 6.837 -3.524 -1.820 1.00 0.77 H new ATOM 0 HD11 LEU B 169 8.044 -1.984 -3.318 1.00 1.09 H new ATOM 0 HD12 LEU B 169 7.407 -3.395 -4.196 1.00 1.09 H new ATOM 0 HD13 LEU B 169 6.583 -1.822 -4.321 1.00 1.09 H new ATOM 0 HD21 LEU B 169 6.860 -1.107 -1.337 1.00 0.77 H new ATOM 0 HD22 LEU B 169 5.354 -0.912 -2.266 1.00 0.77 H new ATOM 0 HD23 LEU B 169 5.359 -1.878 -0.771 1.00 0.77 H new ATOM 819 N LEU B 170 2.750 -5.628 -2.977 1.00 0.34 N ATOM 820 CA LEU B 170 1.544 -6.199 -3.568 1.00 0.36 C ATOM 821 C LEU B 170 0.489 -6.463 -2.500 1.00 0.28 C ATOM 822 O LEU B 170 -0.684 -6.131 -2.677 1.00 0.32 O ATOM 823 CB LEU B 170 1.871 -7.497 -4.311 1.00 0.47 C ATOM 824 CG LEU B 170 2.642 -7.325 -5.621 1.00 0.59 C ATOM 825 CD1 LEU B 170 4.031 -6.761 -5.360 1.00 0.60 C ATOM 826 CD2 LEU B 170 2.732 -8.652 -6.358 1.00 0.72 C ATOM 0 H LEU B 170 3.587 -6.201 -3.085 1.00 0.34 H new ATOM 0 HA LEU B 170 1.145 -5.476 -4.280 1.00 0.36 H new ATOM 0 HB2 LEU B 170 2.452 -8.139 -3.649 1.00 0.47 H new ATOM 0 HB3 LEU B 170 0.938 -8.019 -4.524 1.00 0.47 H new ATOM 0 HG LEU B 170 2.102 -6.616 -6.248 1.00 0.59 H new ATOM 0 HD11 LEU B 170 4.561 -6.647 -6.306 1.00 0.60 H new ATOM 0 HD12 LEU B 170 3.944 -5.789 -4.874 1.00 0.60 H new ATOM 0 HD13 LEU B 170 4.585 -7.442 -4.713 1.00 0.60 H new ATOM 0 HD21 LEU B 170 3.283 -8.515 -7.288 1.00 0.72 H new ATOM 0 HD22 LEU B 170 3.249 -9.381 -5.734 1.00 0.72 H new ATOM 0 HD23 LEU B 170 1.728 -9.013 -6.581 1.00 0.72 H new ATOM 838 N LEU B 171 0.909 -7.063 -1.393 1.00 0.24 N ATOM 839 CA LEU B 171 -0.002 -7.367 -0.296 1.00 0.26 C ATOM 840 C LEU B 171 -0.652 -6.095 0.238 1.00 0.23 C ATOM 841 O LEU B 171 -1.851 -6.066 0.511 1.00 0.29 O ATOM 842 CB LEU B 171 0.744 -8.084 0.831 1.00 0.32 C ATOM 843 CG LEU B 171 1.302 -9.459 0.461 1.00 0.38 C ATOM 844 CD1 LEU B 171 2.007 -10.087 1.653 1.00 0.47 C ATOM 845 CD2 LEU B 171 0.189 -10.365 -0.041 1.00 0.50 C ATOM 0 H LEU B 171 1.875 -7.349 -1.231 1.00 0.24 H new ATOM 0 HA LEU B 171 -0.785 -8.022 -0.678 1.00 0.26 H new ATOM 0 HB2 LEU B 171 1.567 -7.451 1.162 1.00 0.32 H new ATOM 0 HB3 LEU B 171 0.069 -8.198 1.679 1.00 0.32 H new ATOM 0 HG LEU B 171 2.031 -9.333 -0.340 1.00 0.38 H new ATOM 0 HD11 LEU B 171 2.398 -11.065 1.371 1.00 0.47 H new ATOM 0 HD12 LEU B 171 2.829 -9.445 1.969 1.00 0.47 H new ATOM 0 HD13 LEU B 171 1.300 -10.202 2.475 1.00 0.47 H new ATOM 0 HD21 LEU B 171 0.602 -11.340 -0.300 1.00 0.50 H new ATOM 0 HD22 LEU B 171 -0.562 -10.485 0.740 1.00 0.50 H new ATOM 0 HD23 LEU B 171 -0.272 -9.920 -0.923 1.00 0.50 H new ATOM 857 N SER B 172 0.148 -5.045 0.381 1.00 0.18 N ATOM 858 CA SER B 172 -0.347 -3.769 0.881 1.00 0.19 C ATOM 859 C SER B 172 -1.495 -3.252 0.019 1.00 0.14 C ATOM 860 O SER B 172 -2.564 -2.917 0.527 1.00 0.18 O ATOM 861 CB SER B 172 0.782 -2.737 0.911 1.00 0.23 C ATOM 862 OG SER B 172 1.808 -3.129 1.806 1.00 0.31 O ATOM 0 H SER B 172 1.143 -5.053 0.157 1.00 0.18 H new ATOM 0 HA SER B 172 -0.718 -3.926 1.894 1.00 0.19 H new ATOM 0 HB2 SER B 172 1.195 -2.616 -0.090 1.00 0.23 H new ATOM 0 HB3 SER B 172 0.385 -1.767 1.211 1.00 0.23 H new ATOM 0 HG SER B 172 2.302 -3.886 1.426 1.00 0.31 H new ATOM 868 N HIS B 173 -1.263 -3.190 -1.288 1.00 0.12 N ATOM 869 CA HIS B 173 -2.274 -2.707 -2.221 1.00 0.15 C ATOM 870 C HIS B 173 -3.510 -3.601 -2.210 1.00 0.20 C ATOM 871 O HIS B 173 -4.631 -3.123 -2.037 1.00 0.25 O ATOM 872 CB HIS B 173 -1.700 -2.639 -3.637 1.00 0.19 C ATOM 873 CG HIS B 173 -0.568 -1.670 -3.784 1.00 0.21 C ATOM 874 ND1 HIS B 173 0.755 -2.059 -3.831 1.00 0.26 N ATOM 875 CD2 HIS B 173 -0.567 -0.323 -3.908 1.00 0.25 C ATOM 876 CE1 HIS B 173 1.520 -0.992 -3.977 1.00 0.30 C ATOM 877 NE2 HIS B 173 0.743 0.074 -4.027 1.00 0.28 N ATOM 0 H HIS B 173 -0.384 -3.468 -1.725 1.00 0.12 H new ATOM 0 HA HIS B 173 -2.570 -1.708 -1.902 1.00 0.15 H new ATOM 0 HB2 HIS B 173 -1.356 -3.632 -3.928 1.00 0.19 H new ATOM 0 HB3 HIS B 173 -2.496 -2.362 -4.329 1.00 0.19 H new ATOM 0 HD1 HIS B 173 1.090 -3.020 -3.764 1.00 0.26 H new ATOM 0 HD2 HIS B 173 -1.434 0.321 -3.913 1.00 0.25 H new ATOM 0 HE1 HIS B 173 2.598 -0.992 -4.044 1.00 0.30 H new ATOM 886 N LEU B 174 -3.301 -4.901 -2.392 1.00 0.21 N ATOM 887 CA LEU B 174 -4.405 -5.856 -2.412 1.00 0.28 C ATOM 888 C LEU B 174 -5.176 -5.836 -1.098 1.00 0.28 C ATOM 889 O LEU B 174 -6.398 -5.687 -1.087 1.00 0.31 O ATOM 890 CB LEU B 174 -3.882 -7.267 -2.688 1.00 0.32 C ATOM 891 CG LEU B 174 -3.300 -7.481 -4.087 1.00 0.34 C ATOM 892 CD1 LEU B 174 -2.808 -8.912 -4.245 1.00 0.40 C ATOM 893 CD2 LEU B 174 -4.335 -7.151 -5.151 1.00 0.44 C ATOM 0 H LEU B 174 -2.380 -5.317 -2.528 1.00 0.21 H new ATOM 0 HA LEU B 174 -5.085 -5.563 -3.212 1.00 0.28 H new ATOM 0 HB2 LEU B 174 -3.114 -7.504 -1.952 1.00 0.32 H new ATOM 0 HB3 LEU B 174 -4.697 -7.976 -2.538 1.00 0.32 H new ATOM 0 HG LEU B 174 -2.451 -6.809 -4.214 1.00 0.34 H new ATOM 0 HD11 LEU B 174 -2.397 -9.047 -5.246 1.00 0.40 H new ATOM 0 HD12 LEU B 174 -2.034 -9.115 -3.505 1.00 0.40 H new ATOM 0 HD13 LEU B 174 -3.640 -9.601 -4.098 1.00 0.40 H new ATOM 0 HD21 LEU B 174 -3.904 -7.309 -6.140 1.00 0.44 H new ATOM 0 HD22 LEU B 174 -5.204 -7.798 -5.027 1.00 0.44 H new ATOM 0 HD23 LEU B 174 -4.641 -6.110 -5.051 1.00 0.44 H new ATOM 905 N LEU B 175 -4.457 -5.985 0.009 1.00 0.27 N ATOM 906 CA LEU B 175 -5.078 -5.988 1.327 1.00 0.30 C ATOM 907 C LEU B 175 -5.755 -4.650 1.617 1.00 0.27 C ATOM 908 O LEU B 175 -6.873 -4.609 2.133 1.00 0.28 O ATOM 909 CB LEU B 175 -4.038 -6.294 2.406 1.00 0.33 C ATOM 910 CG LEU B 175 -3.423 -7.692 2.331 1.00 0.38 C ATOM 911 CD1 LEU B 175 -2.466 -7.918 3.492 1.00 0.43 C ATOM 912 CD2 LEU B 175 -4.513 -8.752 2.322 1.00 0.46 C ATOM 0 H LEU B 175 -3.444 -6.105 0.019 1.00 0.27 H new ATOM 0 HA LEU B 175 -5.840 -6.767 1.338 1.00 0.30 H new ATOM 0 HB2 LEU B 175 -3.238 -5.557 2.338 1.00 0.33 H new ATOM 0 HB3 LEU B 175 -4.503 -6.170 3.384 1.00 0.33 H new ATOM 0 HG LEU B 175 -2.858 -7.771 1.402 1.00 0.38 H new ATOM 0 HD11 LEU B 175 -2.038 -8.918 3.422 1.00 0.43 H new ATOM 0 HD12 LEU B 175 -1.667 -7.178 3.454 1.00 0.43 H new ATOM 0 HD13 LEU B 175 -3.007 -7.820 4.433 1.00 0.43 H new ATOM 0 HD21 LEU B 175 -4.058 -9.741 2.268 1.00 0.46 H new ATOM 0 HD22 LEU B 175 -5.104 -8.674 3.234 1.00 0.46 H new ATOM 0 HD23 LEU B 175 -5.159 -8.602 1.457 1.00 0.46 H new ATOM 924 N ALA B 176 -5.074 -3.560 1.280 1.00 0.25 N ATOM 925 CA ALA B 176 -5.612 -2.223 1.506 1.00 0.23 C ATOM 926 C ALA B 176 -6.945 -2.037 0.786 1.00 0.20 C ATOM 927 O ALA B 176 -7.940 -1.644 1.396 1.00 0.20 O ATOM 928 CB ALA B 176 -4.612 -1.170 1.053 1.00 0.24 C ATOM 0 H ALA B 176 -4.149 -3.576 0.850 1.00 0.25 H new ATOM 0 HA ALA B 176 -5.789 -2.105 2.575 1.00 0.23 H new ATOM 0 HB1 ALA B 176 -5.026 -0.177 1.227 1.00 0.24 H new ATOM 0 HB2 ALA B 176 -3.686 -1.281 1.617 1.00 0.24 H new ATOM 0 HB3 ALA B 176 -4.407 -1.296 -0.010 1.00 0.24 H new ATOM 934 N ILE B 177 -6.962 -2.326 -0.512 1.00 0.20 N ATOM 935 CA ILE B 177 -8.180 -2.195 -1.301 1.00 0.20 C ATOM 936 C ILE B 177 -9.275 -3.100 -0.744 1.00 0.20 C ATOM 937 O ILE B 177 -10.434 -2.700 -0.646 1.00 0.20 O ATOM 938 CB ILE B 177 -7.938 -2.537 -2.789 1.00 0.24 C ATOM 939 CG1 ILE B 177 -6.904 -1.586 -3.392 1.00 0.25 C ATOM 940 CG2 ILE B 177 -9.240 -2.469 -3.577 1.00 0.26 C ATOM 941 CD1 ILE B 177 -6.526 -1.930 -4.816 1.00 0.31 C ATOM 0 H ILE B 177 -6.150 -2.651 -1.037 1.00 0.20 H new ATOM 0 HA ILE B 177 -8.496 -1.154 -1.236 1.00 0.20 H new ATOM 0 HB ILE B 177 -7.554 -3.555 -2.847 1.00 0.24 H new ATOM 0 HG12 ILE B 177 -7.297 -0.570 -3.364 1.00 0.25 H new ATOM 0 HG13 ILE B 177 -6.007 -1.598 -2.773 1.00 0.25 H new ATOM 0 HG21 ILE B 177 -9.046 -2.713 -4.621 1.00 0.26 H new ATOM 0 HG22 ILE B 177 -9.953 -3.182 -3.164 1.00 0.26 H new ATOM 0 HG23 ILE B 177 -9.654 -1.463 -3.510 1.00 0.26 H new ATOM 0 HD11 ILE B 177 -5.789 -1.214 -5.180 1.00 0.31 H new ATOM 0 HD12 ILE B 177 -6.103 -2.934 -4.848 1.00 0.31 H new ATOM 0 HD13 ILE B 177 -7.413 -1.890 -5.448 1.00 0.31 H new ATOM 953 N GLY B 178 -8.897 -4.322 -0.381 1.00 0.23 N ATOM 954 CA GLY B 178 -9.858 -5.258 0.170 1.00 0.26 C ATOM 955 C GLY B 178 -10.591 -4.681 1.363 1.00 0.24 C ATOM 956 O GLY B 178 -11.819 -4.727 1.428 1.00 0.26 O ATOM 0 H GLY B 178 -7.945 -4.679 -0.459 1.00 0.23 H new ATOM 0 HA2 GLY B 178 -10.579 -5.533 -0.600 1.00 0.26 H new ATOM 0 HA3 GLY B 178 -9.344 -6.172 0.467 1.00 0.26 H new ATOM 960 N LEU B 179 -9.835 -4.134 2.310 1.00 0.25 N ATOM 961 CA LEU B 179 -10.422 -3.536 3.501 1.00 0.28 C ATOM 962 C LEU B 179 -11.422 -2.454 3.114 1.00 0.25 C ATOM 963 O LEU B 179 -12.534 -2.407 3.638 1.00 0.29 O ATOM 964 CB LEU B 179 -9.330 -2.945 4.397 1.00 0.33 C ATOM 965 CG LEU B 179 -8.383 -3.969 5.023 1.00 0.39 C ATOM 966 CD1 LEU B 179 -7.317 -3.271 5.854 1.00 0.47 C ATOM 967 CD2 LEU B 179 -9.160 -4.960 5.876 1.00 0.43 C ATOM 0 H LEU B 179 -8.816 -4.093 2.275 1.00 0.25 H new ATOM 0 HA LEU B 179 -10.945 -4.316 4.055 1.00 0.28 H new ATOM 0 HB2 LEU B 179 -8.742 -2.240 3.810 1.00 0.33 H new ATOM 0 HB3 LEU B 179 -9.805 -2.376 5.196 1.00 0.33 H new ATOM 0 HG LEU B 179 -7.889 -4.518 4.221 1.00 0.39 H new ATOM 0 HD11 LEU B 179 -6.652 -4.015 6.292 1.00 0.47 H new ATOM 0 HD12 LEU B 179 -6.741 -2.600 5.217 1.00 0.47 H new ATOM 0 HD13 LEU B 179 -7.793 -2.697 6.649 1.00 0.47 H new ATOM 0 HD21 LEU B 179 -8.471 -5.682 6.314 1.00 0.43 H new ATOM 0 HD22 LEU B 179 -9.680 -4.426 6.671 1.00 0.43 H new ATOM 0 HD23 LEU B 179 -9.887 -5.483 5.255 1.00 0.43 H new ATOM 979 N GLY B 180 -11.017 -1.587 2.189 1.00 0.22 N ATOM 980 CA GLY B 180 -11.896 -0.523 1.741 1.00 0.23 C ATOM 981 C GLY B 180 -13.248 -1.053 1.313 1.00 0.22 C ATOM 982 O GLY B 180 -14.284 -0.474 1.638 1.00 0.27 O ATOM 0 H GLY B 180 -10.099 -1.603 1.744 1.00 0.22 H new ATOM 0 HA2 GLY B 180 -12.028 0.202 2.544 1.00 0.23 H new ATOM 0 HA3 GLY B 180 -11.432 0.005 0.908 1.00 0.23 H new ATOM 986 N ILE B 181 -13.235 -2.162 0.579 1.00 0.21 N ATOM 987 CA ILE B 181 -14.466 -2.784 0.111 1.00 0.27 C ATOM 988 C ILE B 181 -15.346 -3.185 1.289 1.00 0.29 C ATOM 989 O ILE B 181 -16.522 -2.828 1.348 1.00 0.35 O ATOM 990 CB ILE B 181 -14.174 -4.038 -0.741 1.00 0.34 C ATOM 991 CG1 ILE B 181 -13.307 -3.677 -1.949 1.00 0.38 C ATOM 992 CG2 ILE B 181 -15.475 -4.695 -1.192 1.00 0.44 C ATOM 993 CD1 ILE B 181 -14.054 -2.937 -3.037 1.00 0.93 C ATOM 0 H ILE B 181 -12.384 -2.648 0.296 1.00 0.21 H new ATOM 0 HA ILE B 181 -14.984 -2.049 -0.504 1.00 0.27 H new ATOM 0 HB ILE B 181 -13.625 -4.751 -0.125 1.00 0.34 H new ATOM 0 HG12 ILE B 181 -12.470 -3.064 -1.614 1.00 0.38 H new ATOM 0 HG13 ILE B 181 -12.885 -4.591 -2.368 1.00 0.38 H new ATOM 0 HG21 ILE B 181 -15.249 -5.577 -1.791 1.00 0.44 H new ATOM 0 HG22 ILE B 181 -16.056 -4.989 -0.318 1.00 0.44 H new ATOM 0 HG23 ILE B 181 -16.051 -3.989 -1.790 1.00 0.44 H new ATOM 0 HD11 ILE B 181 -13.374 -2.716 -3.859 1.00 0.93 H new ATOM 0 HD12 ILE B 181 -14.874 -3.556 -3.401 1.00 0.93 H new ATOM 0 HD13 ILE B 181 -14.453 -2.006 -2.635 1.00 0.93 H new ATOM 1005 N TYR B 182 -14.756 -3.917 2.229 1.00 0.31 N ATOM 1006 CA TYR B 182 -15.473 -4.388 3.409 1.00 0.40 C ATOM 1007 C TYR B 182 -16.200 -3.243 4.107 1.00 0.44 C ATOM 1008 O TYR B 182 -17.386 -3.347 4.418 1.00 0.52 O ATOM 1009 CB TYR B 182 -14.498 -5.057 4.380 1.00 0.44 C ATOM 1010 CG TYR B 182 -15.177 -5.813 5.498 1.00 0.56 C ATOM 1011 CD1 TYR B 182 -15.722 -7.072 5.277 1.00 1.25 C ATOM 1012 CD2 TYR B 182 -15.272 -5.272 6.774 1.00 1.42 C ATOM 1013 CE1 TYR B 182 -16.341 -7.770 6.295 1.00 1.30 C ATOM 1014 CE2 TYR B 182 -15.891 -5.964 7.797 1.00 1.52 C ATOM 1015 CZ TYR B 182 -16.424 -7.212 7.553 1.00 0.84 C ATOM 1016 OH TYR B 182 -17.040 -7.905 8.569 1.00 0.99 O ATOM 0 H TYR B 182 -13.776 -4.198 2.195 1.00 0.31 H new ATOM 0 HA TYR B 182 -16.218 -5.115 3.085 1.00 0.40 H new ATOM 0 HB2 TYR B 182 -13.860 -5.744 3.824 1.00 0.44 H new ATOM 0 HB3 TYR B 182 -13.848 -4.295 4.811 1.00 0.44 H new ATOM 0 HD1 TYR B 182 -15.660 -7.512 4.293 1.00 1.25 H new ATOM 0 HD2 TYR B 182 -14.855 -4.295 6.969 1.00 1.42 H new ATOM 0 HE1 TYR B 182 -16.758 -8.748 6.107 1.00 1.30 H new ATOM 0 HE2 TYR B 182 -15.957 -5.529 8.783 1.00 1.52 H new ATOM 0 HH TYR B 182 -17.013 -7.373 9.391 1.00 0.99 H new ATOM 1026 N ILE B 183 -15.482 -2.154 4.349 1.00 0.44 N ATOM 1027 CA ILE B 183 -16.059 -0.992 5.014 1.00 0.55 C ATOM 1028 C ILE B 183 -17.254 -0.444 4.237 1.00 0.56 C ATOM 1029 O ILE B 183 -18.337 -0.259 4.793 1.00 0.67 O ATOM 1030 CB ILE B 183 -15.014 0.129 5.185 1.00 0.60 C ATOM 1031 CG1 ILE B 183 -13.803 -0.385 5.966 1.00 0.63 C ATOM 1032 CG2 ILE B 183 -15.631 1.331 5.886 1.00 0.74 C ATOM 1033 CD1 ILE B 183 -12.719 0.655 6.149 1.00 1.10 C ATOM 0 H ILE B 183 -14.500 -2.051 4.095 1.00 0.44 H new ATOM 0 HA ILE B 183 -16.394 -1.324 5.997 1.00 0.55 H new ATOM 0 HB ILE B 183 -14.679 0.443 4.196 1.00 0.60 H new ATOM 0 HG12 ILE B 183 -14.132 -0.732 6.946 1.00 0.63 H new ATOM 0 HG13 ILE B 183 -13.385 -1.247 5.447 1.00 0.63 H new ATOM 0 HG21 ILE B 183 -14.879 2.112 5.998 1.00 0.74 H new ATOM 0 HG22 ILE B 183 -16.463 1.711 5.293 1.00 0.74 H new ATOM 0 HG23 ILE B 183 -15.993 1.032 6.870 1.00 0.74 H new ATOM 0 HD11 ILE B 183 -11.891 0.223 6.711 1.00 1.10 H new ATOM 0 HD12 ILE B 183 -12.362 0.984 5.173 1.00 1.10 H new ATOM 0 HD13 ILE B 183 -13.122 1.508 6.695 1.00 1.10 H new ATOM 1045 N GLY B 184 -17.049 -0.187 2.950 1.00 0.49 N ATOM 1046 CA GLY B 184 -18.115 0.342 2.116 1.00 0.55 C ATOM 1047 C GLY B 184 -19.333 -0.561 2.063 1.00 0.61 C ATOM 1048 O GLY B 184 -20.453 -0.115 2.312 1.00 0.72 O ATOM 0 H GLY B 184 -16.163 -0.335 2.468 1.00 0.49 H new ATOM 0 HA2 GLY B 184 -18.412 1.321 2.493 1.00 0.55 H new ATOM 0 HA3 GLY B 184 -17.737 0.492 1.105 1.00 0.55 H new ATOM 1052 N ARG B 185 -19.118 -1.832 1.738 1.00 0.58 N ATOM 1053 CA ARG B 185 -20.214 -2.793 1.649 1.00 0.70 C ATOM 1054 C ARG B 185 -21.011 -2.840 2.948 1.00 0.81 C ATOM 1055 O ARG B 185 -22.215 -3.092 2.941 1.00 0.96 O ATOM 1056 CB ARG B 185 -19.675 -4.187 1.328 1.00 0.71 C ATOM 1057 CG ARG B 185 -18.747 -4.733 2.395 1.00 0.66 C ATOM 1058 CD ARG B 185 -18.760 -6.251 2.425 1.00 0.80 C ATOM 1059 NE ARG B 185 -18.427 -6.830 1.127 1.00 1.20 N ATOM 1060 CZ ARG B 185 -18.513 -8.127 0.856 1.00 1.57 C ATOM 1061 NH1 ARG B 185 -18.926 -8.975 1.788 1.00 1.68 N ATOM 1062 NH2 ARG B 185 -18.187 -8.579 -0.347 1.00 2.16 N ATOM 0 H ARG B 185 -18.198 -2.221 1.532 1.00 0.58 H new ATOM 0 HA ARG B 185 -20.876 -2.468 0.847 1.00 0.70 H new ATOM 0 HB2 ARG B 185 -20.513 -4.872 1.200 1.00 0.71 H new ATOM 0 HB3 ARG B 185 -19.143 -4.153 0.377 1.00 0.71 H new ATOM 0 HG2 ARG B 185 -17.732 -4.381 2.210 1.00 0.66 H new ATOM 0 HG3 ARG B 185 -19.045 -4.347 3.370 1.00 0.66 H new ATOM 0 HD2 ARG B 185 -18.049 -6.604 3.172 1.00 0.80 H new ATOM 0 HD3 ARG B 185 -19.746 -6.598 2.734 1.00 0.80 H new ATOM 0 HE ARG B 185 -18.111 -6.203 0.387 1.00 1.20 H new ATOM 0 HH11 ARG B 185 -19.178 -8.631 2.715 1.00 1.68 H new ATOM 0 HH12 ARG B 185 -18.992 -9.971 1.578 1.00 1.68 H new ATOM 0 HH21 ARG B 185 -17.869 -7.930 -1.067 1.00 2.16 H new ATOM 0 HH22 ARG B 185 -18.254 -9.576 -0.553 1.00 2.16 H new