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 172 SER OG : rot 74:sc= 0.57 USER MOD Set 1.2: B 173 HIS : +bothHN:sc= -2.4! C(o=-1.8!,f=-7.6!) USER MOD Set 2.1: A 173 HIS : no HE2:sc= -1.54! C(o=-1.2!,f=-6.7!) USER MOD Set 2.2: B 172 SER OG : rot 73:sc= 0.305 USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD Single : A 182 TYR OH : rot 180:sc= 0.0419 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 6.131 8.366 1.737 1.00 0.73 N ATOM 209 CA PRO A 167 5.043 9.027 1.005 1.00 0.67 C ATOM 210 C PRO A 167 4.392 8.108 -0.022 1.00 0.55 C ATOM 211 O PRO A 167 3.167 7.986 -0.073 1.00 0.58 O ATOM 212 CB PRO A 167 5.736 10.199 0.308 1.00 0.86 C ATOM 213 CG PRO A 167 6.946 10.468 1.132 1.00 0.98 C ATOM 214 CD PRO A 167 7.386 9.134 1.667 1.00 0.91 C ATOM 0 HA PRO A 167 4.234 9.329 1.670 1.00 0.67 H new ATOM 0 HB2 PRO A 167 6.004 9.947 -0.718 1.00 0.86 H new ATOM 0 HB3 PRO A 167 5.086 11.073 0.262 1.00 0.86 H new ATOM 0 HG2 PRO A 167 7.732 10.927 0.533 1.00 0.98 H new ATOM 0 HG3 PRO A 167 6.720 11.159 1.944 1.00 0.98 H new ATOM 0 HD2 PRO A 167 8.113 8.657 1.010 1.00 0.91 H new ATOM 0 HD3 PRO A 167 7.855 9.228 2.646 1.00 0.91 H new ATOM 222 N SER A 168 5.217 7.465 -0.840 1.00 0.55 N ATOM 223 CA SER A 168 4.721 6.558 -1.870 1.00 0.52 C ATOM 224 C SER A 168 3.871 5.449 -1.255 1.00 0.39 C ATOM 225 O SER A 168 2.755 5.189 -1.706 1.00 0.33 O ATOM 226 CB SER A 168 5.889 5.951 -2.649 1.00 0.66 C ATOM 227 OG SER A 168 5.429 5.126 -3.705 1.00 1.47 O ATOM 0 H SER A 168 6.233 7.554 -0.811 1.00 0.55 H new ATOM 0 HA SER A 168 4.096 7.131 -2.555 1.00 0.52 H new ATOM 0 HB2 SER A 168 6.513 6.748 -3.053 1.00 0.66 H new ATOM 0 HB3 SER A 168 6.515 5.367 -1.974 1.00 0.66 H new ATOM 0 HG SER A 168 6.197 4.753 -4.187 1.00 1.47 H new ATOM 233 N LEU A 169 4.405 4.800 -0.226 1.00 0.40 N ATOM 234 CA LEU A 169 3.695 3.717 0.447 1.00 0.36 C ATOM 235 C LEU A 169 2.399 4.219 1.076 1.00 0.28 C ATOM 236 O LEU A 169 1.338 3.622 0.893 1.00 0.26 O ATOM 237 CB LEU A 169 4.585 3.083 1.518 1.00 0.47 C ATOM 238 CG LEU A 169 5.923 2.543 1.009 1.00 0.59 C ATOM 239 CD1 LEU A 169 6.637 1.764 2.103 1.00 0.73 C ATOM 240 CD2 LEU A 169 5.712 1.673 -0.221 1.00 0.62 C ATOM 0 H LEU A 169 5.327 5.004 0.161 1.00 0.40 H new ATOM 0 HA LEU A 169 3.444 2.964 -0.300 1.00 0.36 H new ATOM 0 HB2 LEU A 169 4.780 3.825 2.293 1.00 0.47 H new ATOM 0 HB3 LEU A 169 4.036 2.267 1.989 1.00 0.47 H new ATOM 0 HG LEU A 169 6.551 3.388 0.728 1.00 0.59 H new ATOM 0 HD11 LEU A 169 7.586 1.388 1.722 1.00 0.73 H new ATOM 0 HD12 LEU A 169 6.822 2.419 2.955 1.00 0.73 H new ATOM 0 HD13 LEU A 169 6.015 0.926 2.418 1.00 0.73 H new ATOM 0 HD21 LEU A 169 6.674 1.297 -0.570 1.00 0.62 H new ATOM 0 HD22 LEU A 169 5.065 0.834 0.034 1.00 0.62 H new ATOM 0 HD23 LEU A 169 5.246 2.264 -1.009 1.00 0.62 H new ATOM 252 N LEU A 170 2.489 5.319 1.819 1.00 0.31 N ATOM 253 CA LEU A 170 1.319 5.896 2.469 1.00 0.33 C ATOM 254 C LEU A 170 0.192 6.108 1.464 1.00 0.26 C ATOM 255 O LEU A 170 -0.938 5.674 1.682 1.00 0.27 O ATOM 256 CB LEU A 170 1.677 7.223 3.141 1.00 0.42 C ATOM 257 CG LEU A 170 2.583 7.106 4.369 1.00 0.52 C ATOM 258 CD1 LEU A 170 2.859 8.478 4.963 1.00 0.63 C ATOM 259 CD2 LEU A 170 1.954 6.189 5.407 1.00 0.60 C ATOM 0 H LEU A 170 3.358 5.826 1.985 1.00 0.31 H new ATOM 0 HA LEU A 170 0.978 5.196 3.232 1.00 0.33 H new ATOM 0 HB2 LEU A 170 2.167 7.863 2.407 1.00 0.42 H new ATOM 0 HB3 LEU A 170 0.755 7.723 3.436 1.00 0.42 H new ATOM 0 HG LEU A 170 3.533 6.672 4.057 1.00 0.52 H new ATOM 0 HD11 LEU A 170 3.505 8.374 5.835 1.00 0.63 H new ATOM 0 HD12 LEU A 170 3.352 9.104 4.219 1.00 0.63 H new ATOM 0 HD13 LEU A 170 1.919 8.941 5.261 1.00 0.63 H new ATOM 0 HD21 LEU A 170 2.611 6.116 6.274 1.00 0.60 H new ATOM 0 HD22 LEU A 170 0.990 6.595 5.715 1.00 0.60 H new ATOM 0 HD23 LEU A 170 1.810 5.198 4.977 1.00 0.60 H new ATOM 271 N LEU A 171 0.511 6.777 0.361 1.00 0.23 N ATOM 272 CA LEU A 171 -0.473 7.046 -0.682 1.00 0.22 C ATOM 273 C LEU A 171 -1.100 5.750 -1.184 1.00 0.18 C ATOM 274 O LEU A 171 -2.310 5.676 -1.397 1.00 0.21 O ATOM 275 CB LEU A 171 0.177 7.797 -1.845 1.00 0.26 C ATOM 276 CG LEU A 171 0.676 9.203 -1.509 1.00 0.33 C ATOM 277 CD1 LEU A 171 1.362 9.828 -2.713 1.00 0.39 C ATOM 278 CD2 LEU A 171 -0.478 10.076 -1.039 1.00 0.40 C ATOM 0 H LEU A 171 1.443 7.143 0.166 1.00 0.23 H new ATOM 0 HA LEU A 171 -1.260 7.667 -0.254 1.00 0.22 H new ATOM 0 HB2 LEU A 171 1.017 7.208 -2.214 1.00 0.26 H new ATOM 0 HB3 LEU A 171 -0.544 7.869 -2.659 1.00 0.26 H new ATOM 0 HG LEU A 171 1.404 9.128 -0.701 1.00 0.33 H new ATOM 0 HD11 LEU A 171 1.710 10.828 -2.455 1.00 0.39 H new ATOM 0 HD12 LEU A 171 2.212 9.213 -3.008 1.00 0.39 H new ATOM 0 HD13 LEU A 171 0.656 9.892 -3.541 1.00 0.39 H new ATOM 0 HD21 LEU A 171 -0.107 11.074 -0.804 1.00 0.40 H new ATOM 0 HD22 LEU A 171 -1.227 10.144 -1.828 1.00 0.40 H new ATOM 0 HD23 LEU A 171 -0.927 9.637 -0.149 1.00 0.40 H new ATOM 290 N SER A 172 -0.270 4.729 -1.372 1.00 0.16 N ATOM 291 CA SER A 172 -0.748 3.435 -1.851 1.00 0.16 C ATOM 292 C SER A 172 -1.803 2.864 -0.910 1.00 0.15 C ATOM 293 O SER A 172 -2.895 2.493 -1.338 1.00 0.19 O ATOM 294 CB SER A 172 0.420 2.456 -1.986 1.00 0.19 C ATOM 295 OG SER A 172 1.328 2.880 -2.987 1.00 0.23 O ATOM 0 H SER A 172 0.735 4.771 -1.201 1.00 0.16 H new ATOM 0 HA SER A 172 -1.204 3.582 -2.830 1.00 0.16 H new ATOM 0 HB2 SER A 172 0.940 2.371 -1.032 1.00 0.19 H new ATOM 0 HB3 SER A 172 0.041 1.464 -2.231 1.00 0.19 H new ATOM 0 HG SER A 172 1.846 3.643 -2.657 1.00 0.23 H new ATOM 301 N HIS A 173 -1.469 2.793 0.375 1.00 0.13 N ATOM 302 CA HIS A 173 -2.394 2.268 1.373 1.00 0.17 C ATOM 303 C HIS A 173 -3.647 3.133 1.456 1.00 0.22 C ATOM 304 O HIS A 173 -4.766 2.631 1.365 1.00 0.27 O ATOM 305 CB HIS A 173 -1.714 2.198 2.743 1.00 0.20 C ATOM 306 CG HIS A 173 -0.534 1.276 2.779 1.00 0.20 C ATOM 307 ND1 HIS A 173 0.767 1.711 2.641 1.00 0.25 N ATOM 308 CD2 HIS A 173 -0.463 -0.068 2.938 1.00 0.25 C ATOM 309 CE1 HIS A 173 1.587 0.677 2.714 1.00 0.29 C ATOM 310 NE2 HIS A 173 0.866 -0.415 2.895 1.00 0.27 N ATOM 0 H HIS A 173 -0.568 3.091 0.748 1.00 0.13 H new ATOM 0 HA HIS A 173 -2.687 1.262 1.071 1.00 0.17 H new ATOM 0 HB2 HIS A 173 -1.392 3.199 3.031 1.00 0.20 H new ATOM 0 HB3 HIS A 173 -2.443 1.872 3.485 1.00 0.20 H new ATOM 0 HD1 HIS A 173 1.052 2.681 2.504 1.00 0.25 H new ATOM 0 HD2 HIS A 173 -1.296 -0.741 3.073 1.00 0.25 H new ATOM 0 HE1 HIS A 173 2.664 0.718 2.639 1.00 0.29 H new ATOM 319 N LEU A 174 -3.449 4.437 1.624 1.00 0.23 N ATOM 320 CA LEU A 174 -4.563 5.374 1.717 1.00 0.29 C ATOM 321 C LEU A 174 -5.432 5.316 0.464 1.00 0.29 C ATOM 322 O LEU A 174 -6.650 5.164 0.549 1.00 0.34 O ATOM 323 CB LEU A 174 -4.042 6.797 1.930 1.00 0.32 C ATOM 324 CG LEU A 174 -3.281 7.019 3.238 1.00 0.36 C ATOM 325 CD1 LEU A 174 -2.728 8.434 3.302 1.00 0.41 C ATOM 326 CD2 LEU A 174 -4.182 6.743 4.432 1.00 0.47 C ATOM 0 H LEU A 174 -2.528 4.868 1.698 1.00 0.23 H new ATOM 0 HA LEU A 174 -5.176 5.088 2.572 1.00 0.29 H new ATOM 0 HB2 LEU A 174 -3.387 7.056 1.098 1.00 0.32 H new ATOM 0 HB3 LEU A 174 -4.886 7.485 1.897 1.00 0.32 H new ATOM 0 HG LEU A 174 -2.443 6.322 3.270 1.00 0.36 H new ATOM 0 HD11 LEU A 174 -2.190 8.572 4.240 1.00 0.41 H new ATOM 0 HD12 LEU A 174 -2.048 8.597 2.466 1.00 0.41 H new ATOM 0 HD13 LEU A 174 -3.549 9.148 3.246 1.00 0.41 H new ATOM 0 HD21 LEU A 174 -3.624 6.906 5.354 1.00 0.47 H new ATOM 0 HD22 LEU A 174 -5.040 7.415 4.403 1.00 0.47 H new ATOM 0 HD23 LEU A 174 -4.529 5.710 4.395 1.00 0.47 H new ATOM 338 N LEU A 175 -4.798 5.441 -0.697 1.00 0.26 N ATOM 339 CA LEU A 175 -5.515 5.399 -1.967 1.00 0.28 C ATOM 340 C LEU A 175 -6.238 4.068 -2.142 1.00 0.27 C ATOM 341 O LEU A 175 -7.394 4.029 -2.561 1.00 0.29 O ATOM 342 CB LEU A 175 -4.551 5.633 -3.132 1.00 0.30 C ATOM 343 CG LEU A 175 -3.983 7.051 -3.223 1.00 0.33 C ATOM 344 CD1 LEU A 175 -2.969 7.151 -4.352 1.00 0.37 C ATOM 345 CD2 LEU A 175 -5.105 8.060 -3.422 1.00 0.41 C ATOM 0 H LEU A 175 -3.790 5.572 -0.785 1.00 0.26 H new ATOM 0 HA LEU A 175 -6.260 6.195 -1.960 1.00 0.28 H new ATOM 0 HB2 LEU A 175 -3.722 4.930 -3.046 1.00 0.30 H new ATOM 0 HB3 LEU A 175 -5.068 5.404 -4.064 1.00 0.30 H new ATOM 0 HG LEU A 175 -3.475 7.279 -2.286 1.00 0.33 H new ATOM 0 HD11 LEU A 175 -2.577 8.167 -4.400 1.00 0.37 H new ATOM 0 HD12 LEU A 175 -2.151 6.455 -4.169 1.00 0.37 H new ATOM 0 HD13 LEU A 175 -3.452 6.903 -5.297 1.00 0.37 H new ATOM 0 HD21 LEU A 175 -4.685 9.064 -3.485 1.00 0.41 H new ATOM 0 HD22 LEU A 175 -5.640 7.832 -4.344 1.00 0.41 H new ATOM 0 HD23 LEU A 175 -5.795 8.008 -2.580 1.00 0.41 H new ATOM 357 N ALA A 176 -5.549 2.978 -1.818 1.00 0.26 N ATOM 358 CA ALA A 176 -6.131 1.647 -1.937 1.00 0.27 C ATOM 359 C ALA A 176 -7.457 1.566 -1.184 1.00 0.26 C ATOM 360 O ALA A 176 -8.477 1.156 -1.741 1.00 0.27 O ATOM 361 CB ALA A 176 -5.160 0.600 -1.417 1.00 0.27 C ATOM 0 H ALA A 176 -4.590 2.991 -1.472 1.00 0.26 H new ATOM 0 HA ALA A 176 -6.326 1.450 -2.991 1.00 0.27 H new ATOM 0 HB1 ALA A 176 -5.607 -0.390 -1.512 1.00 0.27 H new ATOM 0 HB2 ALA A 176 -4.238 0.639 -1.997 1.00 0.27 H new ATOM 0 HB3 ALA A 176 -4.938 0.799 -0.369 1.00 0.27 H new ATOM 367 N ILE A 177 -7.437 1.961 0.086 1.00 0.27 N ATOM 368 CA ILE A 177 -8.641 1.938 0.903 1.00 0.28 C ATOM 369 C ILE A 177 -9.748 2.741 0.230 1.00 0.26 C ATOM 370 O ILE A 177 -10.892 2.296 0.152 1.00 0.26 O ATOM 371 CB ILE A 177 -8.385 2.502 2.317 1.00 0.31 C ATOM 372 CG1 ILE A 177 -7.314 1.674 3.030 1.00 0.36 C ATOM 373 CG2 ILE A 177 -9.673 2.516 3.128 1.00 0.33 C ATOM 374 CD1 ILE A 177 -6.975 2.188 4.414 1.00 0.62 C ATOM 0 H ILE A 177 -6.604 2.299 0.567 1.00 0.27 H new ATOM 0 HA ILE A 177 -8.947 0.897 1.003 1.00 0.28 H new ATOM 0 HB ILE A 177 -8.028 3.528 2.222 1.00 0.31 H new ATOM 0 HG12 ILE A 177 -7.656 0.642 3.108 1.00 0.36 H new ATOM 0 HG13 ILE A 177 -6.409 1.665 2.423 1.00 0.36 H new ATOM 0 HG21 ILE A 177 -9.473 2.917 4.122 1.00 0.33 H new ATOM 0 HG22 ILE A 177 -10.412 3.141 2.627 1.00 0.33 H new ATOM 0 HG23 ILE A 177 -10.058 1.500 3.217 1.00 0.33 H new ATOM 0 HD11 ILE A 177 -6.209 1.553 4.860 1.00 0.62 H new ATOM 0 HD12 ILE A 177 -6.603 3.210 4.342 1.00 0.62 H new ATOM 0 HD13 ILE A 177 -7.869 2.171 5.037 1.00 0.62 H new ATOM 386 N GLY A 178 -9.395 3.926 -0.260 1.00 0.26 N ATOM 387 CA GLY A 178 -10.368 4.764 -0.930 1.00 0.27 C ATOM 388 C GLY A 178 -11.084 4.020 -2.038 1.00 0.26 C ATOM 389 O GLY A 178 -12.299 4.144 -2.195 1.00 0.28 O ATOM 0 H GLY A 178 -8.455 4.318 -0.204 1.00 0.26 H new ATOM 0 HA2 GLY A 178 -11.097 5.125 -0.205 1.00 0.27 H new ATOM 0 HA3 GLY A 178 -9.869 5.640 -1.344 1.00 0.27 H new ATOM 393 N LEU A 179 -10.328 3.242 -2.806 1.00 0.25 N ATOM 394 CA LEU A 179 -10.898 2.465 -3.898 1.00 0.27 C ATOM 395 C LEU A 179 -11.958 1.511 -3.364 1.00 0.26 C ATOM 396 O LEU A 179 -13.062 1.426 -3.901 1.00 0.28 O ATOM 397 CB LEU A 179 -9.807 1.674 -4.623 1.00 0.33 C ATOM 398 CG LEU A 179 -8.642 2.508 -5.159 1.00 0.36 C ATOM 399 CD1 LEU A 179 -7.653 1.623 -5.903 1.00 0.43 C ATOM 400 CD2 LEU A 179 -9.152 3.619 -6.064 1.00 0.43 C ATOM 0 H LEU A 179 -9.320 3.134 -2.692 1.00 0.25 H new ATOM 0 HA LEU A 179 -11.359 3.154 -4.606 1.00 0.27 H new ATOM 0 HB2 LEU A 179 -9.411 0.923 -3.940 1.00 0.33 H new ATOM 0 HB3 LEU A 179 -10.262 1.138 -5.456 1.00 0.33 H new ATOM 0 HG LEU A 179 -8.127 2.965 -4.314 1.00 0.36 H new ATOM 0 HD11 LEU A 179 -6.830 2.232 -6.278 1.00 0.43 H new ATOM 0 HD12 LEU A 179 -7.263 0.864 -5.225 1.00 0.43 H new ATOM 0 HD13 LEU A 179 -8.156 1.138 -6.740 1.00 0.43 H new ATOM 0 HD21 LEU A 179 -8.309 4.201 -6.436 1.00 0.43 H new ATOM 0 HD22 LEU A 179 -9.692 3.184 -6.905 1.00 0.43 H new ATOM 0 HD23 LEU A 179 -9.822 4.269 -5.500 1.00 0.43 H new ATOM 412 N GLY A 180 -11.608 0.794 -2.300 1.00 0.25 N ATOM 413 CA GLY A 180 -12.539 -0.143 -1.700 1.00 0.27 C ATOM 414 C GLY A 180 -13.819 0.529 -1.243 1.00 0.26 C ATOM 415 O GLY A 180 -14.915 0.036 -1.507 1.00 0.29 O ATOM 0 H GLY A 180 -10.697 0.846 -1.844 1.00 0.25 H new ATOM 0 HA2 GLY A 180 -12.779 -0.925 -2.421 1.00 0.27 H new ATOM 0 HA3 GLY A 180 -12.063 -0.630 -0.849 1.00 0.27 H new ATOM 419 N ILE A 181 -13.678 1.658 -0.555 1.00 0.28 N ATOM 420 CA ILE A 181 -14.830 2.401 -0.059 1.00 0.34 C ATOM 421 C ILE A 181 -15.739 2.833 -1.205 1.00 0.32 C ATOM 422 O ILE A 181 -16.950 2.618 -1.166 1.00 0.36 O ATOM 423 CB ILE A 181 -14.395 3.651 0.731 1.00 0.42 C ATOM 424 CG1 ILE A 181 -13.452 3.258 1.869 1.00 0.49 C ATOM 425 CG2 ILE A 181 -15.613 4.384 1.272 1.00 0.49 C ATOM 426 CD1 ILE A 181 -14.067 2.293 2.858 1.00 0.89 C ATOM 0 H ILE A 181 -12.776 2.078 -0.329 1.00 0.28 H new ATOM 0 HA ILE A 181 -15.376 1.731 0.605 1.00 0.34 H new ATOM 0 HB ILE A 181 -13.861 4.322 0.058 1.00 0.42 H new ATOM 0 HG12 ILE A 181 -12.553 2.809 1.446 1.00 0.49 H new ATOM 0 HG13 ILE A 181 -13.140 4.158 2.398 1.00 0.49 H new ATOM 0 HG21 ILE A 181 -15.291 5.265 1.828 1.00 0.49 H new ATOM 0 HG22 ILE A 181 -16.251 4.691 0.443 1.00 0.49 H new ATOM 0 HG23 ILE A 181 -16.172 3.722 1.934 1.00 0.49 H new ATOM 0 HD11 ILE A 181 -13.341 2.059 3.637 1.00 0.89 H new ATOM 0 HD12 ILE A 181 -14.949 2.747 3.309 1.00 0.89 H new ATOM 0 HD13 ILE A 181 -14.354 1.377 2.342 1.00 0.89 H new ATOM 438 N TYR A 182 -15.146 3.443 -2.227 1.00 0.31 N ATOM 439 CA TYR A 182 -15.900 3.905 -3.386 1.00 0.35 C ATOM 440 C TYR A 182 -16.764 2.785 -3.955 1.00 0.36 C ATOM 441 O TYR A 182 -17.958 2.966 -4.193 1.00 0.42 O ATOM 442 CB TYR A 182 -14.947 4.428 -4.462 1.00 0.39 C ATOM 443 CG TYR A 182 -15.639 4.822 -5.748 1.00 0.51 C ATOM 444 CD1 TYR A 182 -16.338 6.019 -5.844 1.00 1.43 C ATOM 445 CD2 TYR A 182 -15.593 3.997 -6.863 1.00 1.19 C ATOM 446 CE1 TYR A 182 -16.972 6.382 -7.019 1.00 1.56 C ATOM 447 CE2 TYR A 182 -16.223 4.353 -8.041 1.00 1.21 C ATOM 448 CZ TYR A 182 -16.911 5.546 -8.113 1.00 0.81 C ATOM 449 OH TYR A 182 -17.541 5.903 -9.283 1.00 0.98 O ATOM 0 H TYR A 182 -14.144 3.629 -2.275 1.00 0.31 H new ATOM 0 HA TYR A 182 -16.555 4.715 -3.065 1.00 0.35 H new ATOM 0 HB2 TYR A 182 -14.409 5.291 -4.070 1.00 0.39 H new ATOM 0 HB3 TYR A 182 -14.203 3.661 -4.680 1.00 0.39 H new ATOM 0 HD1 TYR A 182 -16.387 6.676 -4.988 1.00 1.43 H new ATOM 0 HD2 TYR A 182 -15.056 3.061 -6.810 1.00 1.19 H new ATOM 0 HE1 TYR A 182 -17.512 7.316 -7.079 1.00 1.56 H new ATOM 0 HE2 TYR A 182 -16.177 3.700 -8.900 1.00 1.21 H new ATOM 0 HH TYR A 182 -17.400 5.205 -9.956 1.00 0.98 H new ATOM 459 N ILE A 183 -16.151 1.628 -4.176 1.00 0.35 N ATOM 460 CA ILE A 183 -16.863 0.477 -4.714 1.00 0.43 C ATOM 461 C ILE A 183 -17.969 0.019 -3.765 1.00 0.45 C ATOM 462 O ILE A 183 -19.076 -0.301 -4.195 1.00 0.55 O ATOM 463 CB ILE A 183 -15.902 -0.699 -4.980 1.00 0.48 C ATOM 464 CG1 ILE A 183 -14.794 -0.269 -5.943 1.00 0.54 C ATOM 465 CG2 ILE A 183 -16.661 -1.893 -5.538 1.00 0.56 C ATOM 466 CD1 ILE A 183 -13.739 -1.332 -6.166 1.00 0.83 C ATOM 0 H ILE A 183 -15.162 1.463 -3.990 1.00 0.35 H new ATOM 0 HA ILE A 183 -17.310 0.791 -5.657 1.00 0.43 H new ATOM 0 HB ILE A 183 -15.446 -0.996 -4.036 1.00 0.48 H new ATOM 0 HG12 ILE A 183 -15.240 -0.005 -6.902 1.00 0.54 H new ATOM 0 HG13 ILE A 183 -14.316 0.630 -5.555 1.00 0.54 H new ATOM 0 HG21 ILE A 183 -15.966 -2.713 -5.719 1.00 0.56 H new ATOM 0 HG22 ILE A 183 -17.418 -2.210 -4.821 1.00 0.56 H new ATOM 0 HG23 ILE A 183 -17.143 -1.612 -6.474 1.00 0.56 H new ATOM 0 HD11 ILE A 183 -12.986 -0.957 -6.859 1.00 0.83 H new ATOM 0 HD12 ILE A 183 -13.266 -1.580 -5.216 1.00 0.83 H new ATOM 0 HD13 ILE A 183 -14.205 -2.225 -6.584 1.00 0.83 H new ATOM 478 N GLY A 184 -17.658 -0.008 -2.473 1.00 0.40 N ATOM 479 CA GLY A 184 -18.631 -0.434 -1.481 1.00 0.46 C ATOM 480 C GLY A 184 -19.856 0.461 -1.431 1.00 0.52 C ATOM 481 O GLY A 184 -20.985 -0.020 -1.513 1.00 0.64 O ATOM 0 H GLY A 184 -16.749 0.258 -2.094 1.00 0.40 H new ATOM 0 HA2 GLY A 184 -18.942 -1.455 -1.700 1.00 0.46 H new ATOM 0 HA3 GLY A 184 -18.158 -0.449 -0.499 1.00 0.46 H new ATOM 485 N ARG A 185 -19.636 1.764 -1.291 1.00 0.48 N ATOM 486 CA ARG A 185 -20.738 2.717 -1.228 1.00 0.59 C ATOM 487 C ARG A 185 -21.546 2.706 -2.523 1.00 0.67 C ATOM 488 O ARG A 185 -22.722 3.068 -2.535 1.00 0.83 O ATOM 489 CB ARG A 185 -20.212 4.127 -0.942 1.00 0.59 C ATOM 490 CG ARG A 185 -19.164 4.606 -1.928 1.00 0.51 C ATOM 491 CD ARG A 185 -19.793 5.282 -3.136 1.00 0.85 C ATOM 492 NE ARG A 185 -20.541 6.479 -2.760 1.00 1.32 N ATOM 493 CZ ARG A 185 -21.186 7.247 -3.631 1.00 1.98 C ATOM 494 NH1 ARG A 185 -21.180 6.941 -4.921 1.00 2.27 N ATOM 495 NH2 ARG A 185 -21.840 8.322 -3.212 1.00 2.54 N ATOM 0 H ARG A 185 -18.709 2.183 -1.219 1.00 0.48 H new ATOM 0 HA ARG A 185 -21.397 2.417 -0.413 1.00 0.59 H new ATOM 0 HB2 ARG A 185 -21.049 4.825 -0.950 1.00 0.59 H new ATOM 0 HB3 ARG A 185 -19.788 4.149 0.062 1.00 0.59 H new ATOM 0 HG2 ARG A 185 -18.489 5.303 -1.431 1.00 0.51 H new ATOM 0 HG3 ARG A 185 -18.561 3.760 -2.258 1.00 0.51 H new ATOM 0 HD2 ARG A 185 -19.014 5.550 -3.849 1.00 0.85 H new ATOM 0 HD3 ARG A 185 -20.459 4.581 -3.639 1.00 0.85 H new ATOM 0 HE ARG A 185 -20.570 6.739 -1.774 1.00 1.32 H new ATOM 0 HH11 ARG A 185 -20.679 6.114 -5.247 1.00 2.27 H new ATOM 0 HH12 ARG A 185 -21.676 7.532 -5.588 1.00 2.27 H new ATOM 0 HH21 ARG A 185 -21.848 8.560 -2.220 1.00 2.54 H new ATOM 0 HH22 ARG A 185 -22.335 8.911 -3.882 1.00 2.54 H new ATOM 509 N ARG A 186 -20.907 2.284 -3.611 1.00 0.63 N ATOM 510 CA ARG A 186 -21.571 2.222 -4.909 1.00 0.74 C ATOM 511 C ARG A 186 -22.631 1.126 -4.930 1.00 0.85 C ATOM 512 O ARG A 186 -23.695 1.291 -5.527 1.00 1.06 O ATOM 513 CB ARG A 186 -20.549 1.977 -6.021 1.00 0.80 C ATOM 514 CG ARG A 186 -19.872 3.245 -6.517 1.00 1.24 C ATOM 515 CD ARG A 186 -20.877 4.205 -7.133 1.00 1.58 C ATOM 516 NE ARG A 186 -20.230 5.367 -7.735 1.00 2.38 N ATOM 517 CZ ARG A 186 -20.853 6.222 -8.540 1.00 2.95 C ATOM 518 NH1 ARG A 186 -22.134 6.043 -8.835 1.00 2.93 N ATOM 519 NH2 ARG A 186 -20.198 7.256 -9.050 1.00 3.95 N ATOM 0 H ARG A 186 -19.933 1.981 -3.619 1.00 0.63 H new ATOM 0 HA ARG A 186 -22.061 3.180 -5.080 1.00 0.74 H new ATOM 0 HB2 ARG A 186 -19.787 1.287 -5.657 1.00 0.80 H new ATOM 0 HB3 ARG A 186 -21.047 1.489 -6.859 1.00 0.80 H new ATOM 0 HG2 ARG A 186 -19.360 3.734 -5.688 1.00 1.24 H new ATOM 0 HG3 ARG A 186 -19.112 2.989 -7.255 1.00 1.24 H new ATOM 0 HD2 ARG A 186 -21.459 3.682 -7.891 1.00 1.58 H new ATOM 0 HD3 ARG A 186 -21.577 4.537 -6.366 1.00 1.58 H new ATOM 0 HE ARG A 186 -19.245 5.532 -7.526 1.00 2.38 H new ATOM 0 HH11 ARG A 186 -22.641 5.249 -8.444 1.00 2.93 H new ATOM 0 HH12 ARG A 186 -22.612 6.699 -9.453 1.00 2.93 H new ATOM 0 HH21 ARG A 186 -19.213 7.397 -8.825 1.00 3.95 H new ATOM 0 HH22 ARG A 186 -20.679 7.910 -9.667 1.00 3.95 H new ATOM 775 N PRO B 167 7.599 -8.697 -2.402 1.00 0.73 N ATOM 776 CA PRO B 167 6.354 -9.382 -2.091 1.00 0.63 C ATOM 777 C PRO B 167 5.623 -8.752 -0.908 1.00 0.56 C ATOM 778 O PRO B 167 4.836 -9.414 -0.230 1.00 0.69 O ATOM 779 CB PRO B 167 6.812 -10.802 -1.741 1.00 0.87 C ATOM 780 CG PRO B 167 8.288 -10.719 -1.465 1.00 1.07 C ATOM 781 CD PRO B 167 8.714 -9.283 -1.656 1.00 0.96 C ATOM 0 HA PRO B 167 5.646 -9.337 -2.918 1.00 0.63 H new ATOM 0 HB2 PRO B 167 6.275 -11.179 -0.871 1.00 0.87 H new ATOM 0 HB3 PRO B 167 6.609 -11.489 -2.563 1.00 0.87 H new ATOM 0 HG2 PRO B 167 8.506 -11.050 -0.450 1.00 1.07 H new ATOM 0 HG3 PRO B 167 8.840 -11.374 -2.139 1.00 1.07 H new ATOM 0 HD2 PRO B 167 8.869 -8.779 -0.702 1.00 0.96 H new ATOM 0 HD3 PRO B 167 9.650 -9.211 -2.210 1.00 0.96 H new ATOM 789 N SER B 168 5.886 -7.472 -0.664 1.00 0.55 N ATOM 790 CA SER B 168 5.251 -6.756 0.437 1.00 0.55 C ATOM 791 C SER B 168 4.332 -5.657 -0.087 1.00 0.44 C ATOM 792 O SER B 168 3.217 -5.480 0.404 1.00 0.41 O ATOM 793 CB SER B 168 6.312 -6.151 1.358 1.00 0.72 C ATOM 794 OG SER B 168 7.143 -7.157 1.912 1.00 1.59 O ATOM 0 H SER B 168 6.535 -6.909 -1.214 1.00 0.55 H new ATOM 0 HA SER B 168 4.651 -7.469 1.003 1.00 0.55 H new ATOM 0 HB2 SER B 168 6.920 -5.440 0.799 1.00 0.72 H new ATOM 0 HB3 SER B 168 5.827 -5.594 2.160 1.00 0.72 H new ATOM 0 HG SER B 168 7.813 -6.743 2.495 1.00 1.59 H new ATOM 800 N LEU B 169 4.811 -4.920 -1.083 1.00 0.46 N ATOM 801 CA LEU B 169 4.035 -3.837 -1.675 1.00 0.45 C ATOM 802 C LEU B 169 2.746 -4.366 -2.296 1.00 0.33 C ATOM 803 O LEU B 169 1.684 -3.761 -2.156 1.00 0.31 O ATOM 804 CB LEU B 169 4.864 -3.110 -2.736 1.00 0.60 C ATOM 805 CG LEU B 169 6.186 -2.526 -2.236 1.00 0.77 C ATOM 806 CD1 LEU B 169 6.927 -1.841 -3.373 1.00 1.09 C ATOM 807 CD2 LEU B 169 5.939 -1.553 -1.094 1.00 0.77 C ATOM 0 H LEU B 169 5.733 -5.053 -1.497 1.00 0.46 H new ATOM 0 HA LEU B 169 3.774 -3.136 -0.883 1.00 0.45 H new ATOM 0 HB2 LEU B 169 5.076 -3.805 -3.549 1.00 0.60 H new ATOM 0 HB3 LEU B 169 4.263 -2.303 -3.155 1.00 0.60 H new ATOM 0 HG LEU B 169 6.807 -3.341 -1.864 1.00 0.77 H new ATOM 0 HD11 LEU B 169 7.866 -1.431 -3.001 1.00 1.09 H new ATOM 0 HD12 LEU B 169 7.135 -2.565 -4.161 1.00 1.09 H new ATOM 0 HD13 LEU B 169 6.313 -1.035 -3.774 1.00 1.09 H new ATOM 0 HD21 LEU B 169 6.890 -1.147 -0.750 1.00 0.77 H new ATOM 0 HD22 LEU B 169 5.301 -0.740 -1.440 1.00 0.77 H new ATOM 0 HD23 LEU B 169 5.448 -2.074 -0.272 1.00 0.77 H new ATOM 819 N LEU B 170 2.849 -5.501 -2.980 1.00 0.34 N ATOM 820 CA LEU B 170 1.691 -6.111 -3.624 1.00 0.36 C ATOM 821 C LEU B 170 0.617 -6.460 -2.599 1.00 0.28 C ATOM 822 O LEU B 170 -0.560 -6.159 -2.794 1.00 0.32 O ATOM 823 CB LEU B 170 2.105 -7.366 -4.397 1.00 0.47 C ATOM 824 CG LEU B 170 2.884 -7.113 -5.690 1.00 0.59 C ATOM 825 CD1 LEU B 170 4.108 -6.250 -5.426 1.00 0.60 C ATOM 826 CD2 LEU B 170 3.291 -8.433 -6.328 1.00 0.72 C ATOM 0 H LEU B 170 3.721 -6.016 -3.103 1.00 0.34 H new ATOM 0 HA LEU B 170 1.277 -5.386 -4.324 1.00 0.36 H new ATOM 0 HB2 LEU B 170 2.713 -7.991 -3.743 1.00 0.47 H new ATOM 0 HB3 LEU B 170 1.208 -7.936 -4.639 1.00 0.47 H new ATOM 0 HG LEU B 170 2.234 -6.576 -6.381 1.00 0.59 H new ATOM 0 HD11 LEU B 170 4.645 -6.084 -6.360 1.00 0.60 H new ATOM 0 HD12 LEU B 170 3.795 -5.291 -5.013 1.00 0.60 H new ATOM 0 HD13 LEU B 170 4.763 -6.755 -4.716 1.00 0.60 H new ATOM 0 HD21 LEU B 170 3.844 -8.238 -7.247 1.00 0.72 H new ATOM 0 HD22 LEU B 170 3.921 -8.992 -5.637 1.00 0.72 H new ATOM 0 HD23 LEU B 170 2.399 -9.016 -6.558 1.00 0.72 H new ATOM 838 N LEU B 171 1.029 -7.094 -1.508 1.00 0.24 N ATOM 839 CA LEU B 171 0.096 -7.479 -0.456 1.00 0.26 C ATOM 840 C LEU B 171 -0.584 -6.250 0.139 1.00 0.23 C ATOM 841 O LEU B 171 -1.788 -6.260 0.399 1.00 0.29 O ATOM 842 CB LEU B 171 0.820 -8.262 0.641 1.00 0.32 C ATOM 843 CG LEU B 171 1.517 -9.540 0.169 1.00 0.38 C ATOM 844 CD1 LEU B 171 2.053 -10.327 1.356 1.00 0.47 C ATOM 845 CD2 LEU B 171 0.565 -10.395 -0.653 1.00 0.50 C ATOM 0 H LEU B 171 1.999 -7.352 -1.329 1.00 0.24 H new ATOM 0 HA LEU B 171 -0.669 -8.118 -0.898 1.00 0.26 H new ATOM 0 HB2 LEU B 171 1.562 -7.610 1.103 1.00 0.32 H new ATOM 0 HB3 LEU B 171 0.099 -8.524 1.416 1.00 0.32 H new ATOM 0 HG LEU B 171 2.359 -9.258 -0.464 1.00 0.38 H new ATOM 0 HD11 LEU B 171 2.545 -11.232 1.000 1.00 0.47 H new ATOM 0 HD12 LEU B 171 2.770 -9.716 1.904 1.00 0.47 H new ATOM 0 HD13 LEU B 171 1.228 -10.598 2.015 1.00 0.47 H new ATOM 0 HD21 LEU B 171 1.078 -11.299 -0.980 1.00 0.50 H new ATOM 0 HD22 LEU B 171 -0.297 -10.667 -0.044 1.00 0.50 H new ATOM 0 HD23 LEU B 171 0.231 -9.832 -1.525 1.00 0.50 H new ATOM 857 N SER B 172 0.192 -5.193 0.351 1.00 0.18 N ATOM 858 CA SER B 172 -0.339 -3.957 0.915 1.00 0.19 C ATOM 859 C SER B 172 -1.518 -3.445 0.093 1.00 0.14 C ATOM 860 O SER B 172 -2.586 -3.157 0.633 1.00 0.18 O ATOM 861 CB SER B 172 0.753 -2.886 0.979 1.00 0.23 C ATOM 862 OG SER B 172 1.765 -3.242 1.906 1.00 0.31 O ATOM 0 H SER B 172 1.190 -5.167 0.141 1.00 0.18 H new ATOM 0 HA SER B 172 -0.687 -4.172 1.925 1.00 0.19 H new ATOM 0 HB2 SER B 172 1.192 -2.751 -0.009 1.00 0.23 H new ATOM 0 HB3 SER B 172 0.313 -1.931 1.265 1.00 0.23 H new ATOM 0 HG SER B 172 2.309 -3.967 1.534 1.00 0.31 H new ATOM 868 N HIS B 173 -1.317 -3.334 -1.218 1.00 0.12 N ATOM 869 CA HIS B 173 -2.363 -2.854 -2.114 1.00 0.15 C ATOM 870 C HIS B 173 -3.576 -3.777 -2.087 1.00 0.20 C ATOM 871 O HIS B 173 -4.702 -3.330 -1.872 1.00 0.25 O ATOM 872 CB HIS B 173 -1.828 -2.744 -3.544 1.00 0.19 C ATOM 873 CG HIS B 173 -0.706 -1.764 -3.692 1.00 0.21 C ATOM 874 ND1 HIS B 173 0.618 -2.140 -3.778 1.00 0.26 N ATOM 875 CD2 HIS B 173 -0.717 -0.413 -3.775 1.00 0.25 C ATOM 876 CE1 HIS B 173 1.373 -1.062 -3.907 1.00 0.30 C ATOM 877 NE2 HIS B 173 0.586 -0.002 -3.908 1.00 0.28 N ATOM 0 H HIS B 173 -0.440 -3.570 -1.682 1.00 0.12 H new ATOM 0 HA HIS B 173 -2.673 -1.868 -1.769 1.00 0.15 H new ATOM 0 HB2 HIS B 173 -1.487 -3.726 -3.872 1.00 0.19 H new ATOM 0 HB3 HIS B 173 -2.643 -2.453 -4.206 1.00 0.19 H new ATOM 0 HD1 HIS B 173 0.961 -3.100 -3.747 1.00 0.26 H new ATOM 0 HD2 HIS B 173 -1.589 0.223 -3.743 1.00 0.25 H new ATOM 0 HE1 HIS B 173 2.449 -1.051 -3.996 1.00 0.30 H new ATOM 0 HE2 HIS B 173 0.896 0.966 -3.994 1.00 0.28 H new ATOM 886 N LEU B 174 -3.342 -5.068 -2.297 1.00 0.21 N ATOM 887 CA LEU B 174 -4.422 -6.047 -2.301 1.00 0.28 C ATOM 888 C LEU B 174 -5.216 -5.983 -1.000 1.00 0.28 C ATOM 889 O LEU B 174 -6.441 -5.854 -1.014 1.00 0.31 O ATOM 890 CB LEU B 174 -3.862 -7.455 -2.506 1.00 0.32 C ATOM 891 CG LEU B 174 -3.170 -7.686 -3.851 1.00 0.34 C ATOM 892 CD1 LEU B 174 -2.639 -9.107 -3.942 1.00 0.40 C ATOM 893 CD2 LEU B 174 -4.129 -7.398 -4.997 1.00 0.44 C ATOM 0 H LEU B 174 -2.416 -5.460 -2.466 1.00 0.21 H new ATOM 0 HA LEU B 174 -5.093 -5.810 -3.126 1.00 0.28 H new ATOM 0 HB2 LEU B 174 -3.151 -7.667 -1.707 1.00 0.32 H new ATOM 0 HB3 LEU B 174 -4.677 -8.172 -2.406 1.00 0.32 H new ATOM 0 HG LEU B 174 -2.326 -7.001 -3.927 1.00 0.34 H new ATOM 0 HD11 LEU B 174 -2.150 -9.252 -4.906 1.00 0.40 H new ATOM 0 HD12 LEU B 174 -1.920 -9.279 -3.141 1.00 0.40 H new ATOM 0 HD13 LEU B 174 -3.465 -9.811 -3.845 1.00 0.40 H new ATOM 0 HD21 LEU B 174 -3.622 -7.567 -5.947 1.00 0.44 H new ATOM 0 HD22 LEU B 174 -4.992 -8.059 -4.924 1.00 0.44 H new ATOM 0 HD23 LEU B 174 -4.461 -6.361 -4.942 1.00 0.44 H new ATOM 905 N LEU B 175 -4.512 -6.075 0.123 1.00 0.27 N ATOM 906 CA LEU B 175 -5.153 -6.023 1.431 1.00 0.30 C ATOM 907 C LEU B 175 -5.836 -4.678 1.651 1.00 0.27 C ATOM 908 O LEU B 175 -6.974 -4.617 2.120 1.00 0.28 O ATOM 909 CB LEU B 175 -4.127 -6.275 2.537 1.00 0.33 C ATOM 910 CG LEU B 175 -3.456 -7.649 2.498 1.00 0.38 C ATOM 911 CD1 LEU B 175 -2.501 -7.810 3.673 1.00 0.43 C ATOM 912 CD2 LEU B 175 -4.503 -8.754 2.505 1.00 0.46 C ATOM 0 H LEU B 175 -3.498 -6.186 0.153 1.00 0.27 H new ATOM 0 HA LEU B 175 -5.912 -6.804 1.465 1.00 0.30 H new ATOM 0 HB2 LEU B 175 -3.354 -5.509 2.476 1.00 0.33 H new ATOM 0 HB3 LEU B 175 -4.619 -6.155 3.502 1.00 0.33 H new ATOM 0 HG LEU B 175 -2.881 -7.726 1.575 1.00 0.38 H new ATOM 0 HD11 LEU B 175 -2.033 -8.793 3.629 1.00 0.43 H new ATOM 0 HD12 LEU B 175 -1.732 -7.039 3.625 1.00 0.43 H new ATOM 0 HD13 LEU B 175 -3.054 -7.713 4.607 1.00 0.43 H new ATOM 0 HD21 LEU B 175 -4.008 -9.725 2.477 1.00 0.46 H new ATOM 0 HD22 LEU B 175 -5.104 -8.680 3.411 1.00 0.46 H new ATOM 0 HD23 LEU B 175 -5.147 -8.650 1.632 1.00 0.46 H new ATOM 924 N ALA B 176 -5.137 -3.601 1.309 1.00 0.25 N ATOM 925 CA ALA B 176 -5.675 -2.255 1.477 1.00 0.23 C ATOM 926 C ALA B 176 -7.025 -2.107 0.779 1.00 0.20 C ATOM 927 O ALA B 176 -8.010 -1.690 1.393 1.00 0.20 O ATOM 928 CB ALA B 176 -4.687 -1.227 0.949 1.00 0.24 C ATOM 0 H ALA B 176 -4.197 -3.633 0.914 1.00 0.25 H new ATOM 0 HA ALA B 176 -5.831 -2.082 2.542 1.00 0.23 H new ATOM 0 HB1 ALA B 176 -5.099 -0.226 1.079 1.00 0.24 H new ATOM 0 HB2 ALA B 176 -3.749 -1.308 1.499 1.00 0.24 H new ATOM 0 HB3 ALA B 176 -4.504 -1.409 -0.110 1.00 0.24 H new ATOM 934 N ILE B 177 -7.068 -2.456 -0.503 1.00 0.20 N ATOM 935 CA ILE B 177 -8.302 -2.362 -1.274 1.00 0.20 C ATOM 936 C ILE B 177 -9.370 -3.277 -0.689 1.00 0.20 C ATOM 937 O ILE B 177 -10.536 -2.896 -0.577 1.00 0.20 O ATOM 938 CB ILE B 177 -8.077 -2.724 -2.756 1.00 0.24 C ATOM 939 CG1 ILE B 177 -7.010 -1.819 -3.371 1.00 0.25 C ATOM 940 CG2 ILE B 177 -9.381 -2.608 -3.532 1.00 0.26 C ATOM 941 CD1 ILE B 177 -6.744 -2.108 -4.832 1.00 0.31 C ATOM 0 H ILE B 177 -6.266 -2.805 -1.028 1.00 0.20 H new ATOM 0 HA ILE B 177 -8.637 -1.326 -1.219 1.00 0.20 H new ATOM 0 HB ILE B 177 -7.729 -3.755 -2.812 1.00 0.24 H new ATOM 0 HG12 ILE B 177 -7.321 -0.780 -3.265 1.00 0.25 H new ATOM 0 HG13 ILE B 177 -6.082 -1.933 -2.811 1.00 0.25 H new ATOM 0 HG21 ILE B 177 -9.207 -2.866 -4.577 1.00 0.26 H new ATOM 0 HG22 ILE B 177 -10.119 -3.289 -3.108 1.00 0.26 H new ATOM 0 HG23 ILE B 177 -9.753 -1.585 -3.468 1.00 0.26 H new ATOM 0 HD11 ILE B 177 -5.976 -1.429 -5.203 1.00 0.31 H new ATOM 0 HD12 ILE B 177 -6.403 -3.137 -4.943 1.00 0.31 H new ATOM 0 HD13 ILE B 177 -7.661 -1.966 -5.404 1.00 0.31 H new ATOM 953 N GLY B 178 -8.965 -4.489 -0.319 1.00 0.23 N ATOM 954 CA GLY B 178 -9.900 -5.436 0.258 1.00 0.26 C ATOM 955 C GLY B 178 -10.605 -4.866 1.471 1.00 0.24 C ATOM 956 O GLY B 178 -11.824 -4.978 1.600 1.00 0.26 O ATOM 0 H GLY B 178 -8.008 -4.831 -0.409 1.00 0.23 H new ATOM 0 HA2 GLY B 178 -10.639 -5.719 -0.492 1.00 0.26 H new ATOM 0 HA3 GLY B 178 -9.368 -6.345 0.541 1.00 0.26 H new ATOM 960 N LEU B 179 -9.833 -4.252 2.363 1.00 0.25 N ATOM 961 CA LEU B 179 -10.391 -3.650 3.567 1.00 0.28 C ATOM 962 C LEU B 179 -11.445 -2.613 3.201 1.00 0.25 C ATOM 963 O LEU B 179 -12.544 -2.606 3.756 1.00 0.29 O ATOM 964 CB LEU B 179 -9.284 -3.002 4.402 1.00 0.33 C ATOM 965 CG LEU B 179 -8.248 -3.971 4.971 1.00 0.39 C ATOM 966 CD1 LEU B 179 -7.169 -3.214 5.731 1.00 0.47 C ATOM 967 CD2 LEU B 179 -8.918 -4.996 5.874 1.00 0.43 C ATOM 0 H LEU B 179 -8.821 -4.159 2.274 1.00 0.25 H new ATOM 0 HA LEU B 179 -10.862 -4.435 4.159 1.00 0.28 H new ATOM 0 HB2 LEU B 179 -8.769 -2.265 3.785 1.00 0.33 H new ATOM 0 HB3 LEU B 179 -9.744 -2.460 5.228 1.00 0.33 H new ATOM 0 HG LEU B 179 -7.777 -4.498 4.141 1.00 0.39 H new ATOM 0 HD11 LEU B 179 -6.440 -3.920 6.129 1.00 0.47 H new ATOM 0 HD12 LEU B 179 -6.669 -2.518 5.057 1.00 0.47 H new ATOM 0 HD13 LEU B 179 -7.623 -2.660 6.553 1.00 0.47 H new ATOM 0 HD21 LEU B 179 -8.166 -5.678 6.271 1.00 0.43 H new ATOM 0 HD22 LEU B 179 -9.415 -4.485 6.698 1.00 0.43 H new ATOM 0 HD23 LEU B 179 -9.653 -5.560 5.301 1.00 0.43 H new ATOM 979 N GLY B 180 -11.103 -1.737 2.260 1.00 0.22 N ATOM 980 CA GLY B 180 -12.036 -0.712 1.832 1.00 0.23 C ATOM 981 C GLY B 180 -13.374 -1.289 1.414 1.00 0.22 C ATOM 982 O GLY B 180 -14.426 -0.755 1.766 1.00 0.27 O ATOM 0 H GLY B 180 -10.199 -1.719 1.788 1.00 0.22 H new ATOM 0 HA2 GLY B 180 -12.188 -0.000 2.644 1.00 0.23 H new ATOM 0 HA3 GLY B 180 -11.606 -0.158 0.998 1.00 0.23 H new ATOM 986 N ILE B 181 -13.334 -2.383 0.658 1.00 0.21 N ATOM 987 CA ILE B 181 -14.552 -3.039 0.192 1.00 0.27 C ATOM 988 C ILE B 181 -15.408 -3.502 1.368 1.00 0.29 C ATOM 989 O ILE B 181 -16.607 -3.230 1.422 1.00 0.35 O ATOM 990 CB ILE B 181 -14.227 -4.254 -0.702 1.00 0.34 C ATOM 991 CG1 ILE B 181 -13.384 -3.822 -1.903 1.00 0.38 C ATOM 992 CG2 ILE B 181 -15.508 -4.934 -1.166 1.00 0.44 C ATOM 993 CD1 ILE B 181 -14.114 -2.898 -2.852 1.00 0.93 C ATOM 0 H ILE B 181 -12.471 -2.834 0.355 1.00 0.21 H new ATOM 0 HA ILE B 181 -15.106 -2.305 -0.392 1.00 0.27 H new ATOM 0 HB ILE B 181 -13.652 -4.970 -0.115 1.00 0.34 H new ATOM 0 HG12 ILE B 181 -12.483 -3.324 -1.544 1.00 0.38 H new ATOM 0 HG13 ILE B 181 -13.062 -4.709 -2.448 1.00 0.38 H new ATOM 0 HG21 ILE B 181 -15.259 -5.788 -1.795 1.00 0.44 H new ATOM 0 HG22 ILE B 181 -16.074 -5.275 -0.299 1.00 0.44 H new ATOM 0 HG23 ILE B 181 -16.109 -4.226 -1.737 1.00 0.44 H new ATOM 0 HD11 ILE B 181 -13.456 -2.633 -3.679 1.00 0.93 H new ATOM 0 HD12 ILE B 181 -15.000 -3.401 -3.240 1.00 0.93 H new ATOM 0 HD13 ILE B 181 -14.413 -1.994 -2.322 1.00 0.93 H new ATOM 1005 N TYR B 182 -14.779 -4.202 2.307 1.00 0.31 N ATOM 1006 CA TYR B 182 -15.478 -4.708 3.484 1.00 0.40 C ATOM 1007 C TYR B 182 -16.099 -3.567 4.283 1.00 0.44 C ATOM 1008 O TYR B 182 -17.268 -3.627 4.665 1.00 0.52 O ATOM 1009 CB TYR B 182 -14.511 -5.501 4.367 1.00 0.44 C ATOM 1010 CG TYR B 182 -15.180 -6.208 5.524 1.00 0.56 C ATOM 1011 CD1 TYR B 182 -15.353 -5.575 6.749 1.00 1.25 C ATOM 1012 CD2 TYR B 182 -15.635 -7.515 5.392 1.00 1.42 C ATOM 1013 CE1 TYR B 182 -15.959 -6.223 7.808 1.00 1.30 C ATOM 1014 CE2 TYR B 182 -16.242 -8.169 6.446 1.00 1.52 C ATOM 1015 CZ TYR B 182 -16.401 -7.519 7.652 1.00 0.84 C ATOM 1016 OH TYR B 182 -17.004 -8.169 8.704 1.00 0.99 O ATOM 0 H TYR B 182 -13.786 -4.432 2.276 1.00 0.31 H new ATOM 0 HA TYR B 182 -16.280 -5.366 3.149 1.00 0.40 H new ATOM 0 HB2 TYR B 182 -13.994 -6.238 3.753 1.00 0.44 H new ATOM 0 HB3 TYR B 182 -13.752 -4.823 4.758 1.00 0.44 H new ATOM 0 HD1 TYR B 182 -15.008 -4.559 6.875 1.00 1.25 H new ATOM 0 HD2 TYR B 182 -15.512 -8.027 4.449 1.00 1.42 H new ATOM 0 HE1 TYR B 182 -16.086 -5.716 8.753 1.00 1.30 H new ATOM 0 HE2 TYR B 182 -16.590 -9.184 6.327 1.00 1.52 H new ATOM 0 HH TYR B 182 -17.257 -9.074 8.427 1.00 0.99 H new ATOM 1026 N ILE B 183 -15.308 -2.529 4.535 1.00 0.44 N ATOM 1027 CA ILE B 183 -15.778 -1.373 5.291 1.00 0.55 C ATOM 1028 C ILE B 183 -16.929 -0.675 4.571 1.00 0.56 C ATOM 1029 O ILE B 183 -17.927 -0.308 5.189 1.00 0.67 O ATOM 1030 CB ILE B 183 -14.639 -0.360 5.530 1.00 0.60 C ATOM 1031 CG1 ILE B 183 -13.495 -1.021 6.299 1.00 0.63 C ATOM 1032 CG2 ILE B 183 -15.152 0.860 6.283 1.00 0.74 C ATOM 1033 CD1 ILE B 183 -12.319 -0.101 6.550 1.00 1.10 C ATOM 0 H ILE B 183 -14.338 -2.464 4.227 1.00 0.44 H new ATOM 0 HA ILE B 183 -16.131 -1.744 6.253 1.00 0.55 H new ATOM 0 HB ILE B 183 -14.263 -0.029 4.562 1.00 0.60 H new ATOM 0 HG12 ILE B 183 -13.873 -1.382 7.255 1.00 0.63 H new ATOM 0 HG13 ILE B 183 -13.151 -1.893 5.742 1.00 0.63 H new ATOM 0 HG21 ILE B 183 -14.333 1.561 6.441 1.00 0.74 H new ATOM 0 HG22 ILE B 183 -15.936 1.344 5.701 1.00 0.74 H new ATOM 0 HG23 ILE B 183 -15.555 0.550 7.247 1.00 0.74 H new ATOM 0 HD11 ILE B 183 -11.547 -0.639 7.100 1.00 1.10 H new ATOM 0 HD12 ILE B 183 -11.914 0.241 5.597 1.00 1.10 H new ATOM 0 HD13 ILE B 183 -12.648 0.759 7.134 1.00 1.10 H new ATOM 1045 N GLY B 184 -16.779 -0.492 3.264 1.00 0.49 N ATOM 1046 CA GLY B 184 -17.809 0.168 2.482 1.00 0.55 C ATOM 1047 C GLY B 184 -19.126 -0.586 2.483 1.00 0.61 C ATOM 1048 O GLY B 184 -20.187 0.007 2.682 1.00 0.72 O ATOM 0 H GLY B 184 -15.962 -0.789 2.731 1.00 0.49 H new ATOM 0 HA2 GLY B 184 -17.970 1.171 2.876 1.00 0.55 H new ATOM 0 HA3 GLY B 184 -17.462 0.281 1.455 1.00 0.55 H new ATOM 1052 N ARG B 185 -19.060 -1.893 2.256 1.00 0.58 N ATOM 1053 CA ARG B 185 -20.257 -2.728 2.221 1.00 0.70 C ATOM 1054 C ARG B 185 -20.986 -2.738 3.566 1.00 0.81 C ATOM 1055 O ARG B 185 -22.133 -3.176 3.649 1.00 0.96 O ATOM 1056 CB ARG B 185 -19.900 -4.157 1.812 1.00 0.71 C ATOM 1057 CG ARG B 185 -18.959 -4.853 2.773 1.00 0.66 C ATOM 1058 CD ARG B 185 -18.921 -6.352 2.527 1.00 0.80 C ATOM 1059 NE ARG B 185 -18.513 -6.673 1.162 1.00 1.20 N ATOM 1060 CZ ARG B 185 -18.660 -7.876 0.615 1.00 1.57 C ATOM 1061 NH1 ARG B 185 -19.206 -8.862 1.313 1.00 1.68 N ATOM 1062 NH2 ARG B 185 -18.263 -8.092 -0.632 1.00 2.16 N ATOM 0 H ARG B 185 -18.189 -2.399 2.093 1.00 0.58 H new ATOM 0 HA ARG B 185 -20.930 -2.297 1.480 1.00 0.70 H new ATOM 0 HB2 ARG B 185 -20.817 -4.741 1.730 1.00 0.71 H new ATOM 0 HB3 ARG B 185 -19.444 -4.138 0.822 1.00 0.71 H new ATOM 0 HG2 ARG B 185 -17.956 -4.440 2.665 1.00 0.66 H new ATOM 0 HG3 ARG B 185 -19.275 -4.659 3.798 1.00 0.66 H new ATOM 0 HD2 ARG B 185 -18.231 -6.817 3.230 1.00 0.80 H new ATOM 0 HD3 ARG B 185 -19.906 -6.776 2.720 1.00 0.80 H new ATOM 0 HE ARG B 185 -18.093 -5.935 0.598 1.00 1.20 H new ATOM 0 HH11 ARG B 185 -19.514 -8.699 2.271 1.00 1.68 H new ATOM 0 HH12 ARG B 185 -19.318 -9.784 0.892 1.00 1.68 H new ATOM 0 HH21 ARG B 185 -17.844 -7.335 -1.172 1.00 2.16 H new ATOM 0 HH22 ARG B 185 -18.376 -9.015 -1.051 1.00 2.16 H new