USER MOD reduce.3.24.130724 H: found=0, std=0, add=328, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 330 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD Single : A 172 SER OG : rot 74:sc= 0.463 USER MOD Single : A 173 HIS : no HE2:sc= -0.604 K(o=-0.6,f=-2.5!) 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 172 SER OG : rot 56:sc= 1.27 USER MOD Single : B 173 HIS : no HE2:sc= -1.01! C(o=-1!,f=-3.9!) USER MOD Single : B 182 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 222 N SER A 168 -5.028 8.320 -1.971 1.00 0.76 N ATOM 223 CA SER A 168 -4.431 7.899 -0.709 1.00 0.70 C ATOM 224 C SER A 168 -3.570 6.658 -0.912 1.00 0.57 C ATOM 225 O SER A 168 -2.477 6.548 -0.356 1.00 0.51 O ATOM 226 CB SER A 168 -5.520 7.617 0.330 1.00 0.82 C ATOM 227 OG SER A 168 -4.953 7.209 1.563 1.00 1.39 O ATOM 0 HA SER A 168 -3.798 8.708 -0.344 1.00 0.70 H new ATOM 0 HB2 SER A 168 -6.123 8.512 0.482 1.00 0.82 H new ATOM 0 HB3 SER A 168 -6.189 6.841 -0.041 1.00 0.82 H new ATOM 0 HG SER A 168 -5.668 7.036 2.211 1.00 1.39 H new ATOM 233 N LEU A 169 -4.073 5.725 -1.713 1.00 0.58 N ATOM 234 CA LEU A 169 -3.356 4.489 -1.998 1.00 0.51 C ATOM 235 C LEU A 169 -1.981 4.782 -2.592 1.00 0.41 C ATOM 236 O LEU A 169 -0.993 4.138 -2.240 1.00 0.36 O ATOM 237 CB LEU A 169 -4.164 3.620 -2.963 1.00 0.64 C ATOM 238 CG LEU A 169 -5.595 3.318 -2.519 1.00 0.77 C ATOM 239 CD1 LEU A 169 -6.285 2.409 -3.525 1.00 1.07 C ATOM 240 CD2 LEU A 169 -5.602 2.687 -1.135 1.00 0.81 C ATOM 0 H LEU A 169 -4.978 5.802 -2.178 1.00 0.58 H new ATOM 0 HA LEU A 169 -3.220 3.952 -1.059 1.00 0.51 H new ATOM 0 HB2 LEU A 169 -4.198 4.116 -3.933 1.00 0.64 H new ATOM 0 HB3 LEU A 169 -3.637 2.676 -3.106 1.00 0.64 H new ATOM 0 HG LEU A 169 -6.146 4.257 -2.471 1.00 0.77 H new ATOM 0 HD11 LEU A 169 -7.303 2.205 -3.193 1.00 1.07 H new ATOM 0 HD12 LEU A 169 -6.313 2.898 -4.499 1.00 1.07 H new ATOM 0 HD13 LEU A 169 -5.735 1.472 -3.606 1.00 1.07 H new ATOM 0 HD21 LEU A 169 -6.629 2.479 -0.835 1.00 0.81 H new ATOM 0 HD22 LEU A 169 -5.035 1.757 -1.156 1.00 0.81 H new ATOM 0 HD23 LEU A 169 -5.147 3.373 -0.420 1.00 0.81 H new ATOM 252 N LEU A 170 -1.928 5.758 -3.493 1.00 0.46 N ATOM 253 CA LEU A 170 -0.673 6.133 -4.135 1.00 0.47 C ATOM 254 C LEU A 170 0.355 6.564 -3.095 1.00 0.38 C ATOM 255 O LEU A 170 1.481 6.066 -3.077 1.00 0.39 O ATOM 256 CB LEU A 170 -0.899 7.261 -5.147 1.00 0.60 C ATOM 257 CG LEU A 170 -1.626 6.857 -6.434 1.00 0.73 C ATOM 258 CD1 LEU A 170 -3.034 6.369 -6.131 1.00 0.88 C ATOM 259 CD2 LEU A 170 -1.664 8.025 -7.408 1.00 1.12 C ATOM 0 H LEU A 170 -2.737 6.302 -3.794 1.00 0.46 H new ATOM 0 HA LEU A 170 -0.291 5.260 -4.664 1.00 0.47 H new ATOM 0 HB2 LEU A 170 -1.470 8.052 -4.661 1.00 0.60 H new ATOM 0 HB3 LEU A 170 0.069 7.685 -5.415 1.00 0.60 H new ATOM 0 HG LEU A 170 -1.076 6.037 -6.895 1.00 0.73 H new ATOM 0 HD11 LEU A 170 -3.530 6.088 -7.060 1.00 0.88 H new ATOM 0 HD12 LEU A 170 -2.985 5.504 -5.470 1.00 0.88 H new ATOM 0 HD13 LEU A 170 -3.598 7.165 -5.645 1.00 0.88 H new ATOM 0 HD21 LEU A 170 -2.183 7.723 -8.318 1.00 1.12 H new ATOM 0 HD22 LEU A 170 -2.190 8.863 -6.951 1.00 1.12 H new ATOM 0 HD23 LEU A 170 -0.646 8.326 -7.654 1.00 1.12 H new ATOM 271 N LEU A 171 -0.039 7.492 -2.230 1.00 0.36 N ATOM 272 CA LEU A 171 0.849 7.988 -1.187 1.00 0.37 C ATOM 273 C LEU A 171 1.305 6.852 -0.275 1.00 0.32 C ATOM 274 O LEU A 171 2.480 6.761 0.078 1.00 0.35 O ATOM 275 CB LEU A 171 0.150 9.073 -0.363 1.00 0.44 C ATOM 276 CG LEU A 171 -0.257 10.322 -1.148 1.00 0.54 C ATOM 277 CD1 LEU A 171 -0.979 11.307 -0.242 1.00 0.64 C ATOM 278 CD2 LEU A 171 0.962 10.971 -1.784 1.00 0.62 C ATOM 0 H LEU A 171 -0.967 7.915 -2.231 1.00 0.36 H new ATOM 0 HA LEU A 171 1.728 8.419 -1.667 1.00 0.37 H new ATOM 0 HB2 LEU A 171 -0.742 8.643 0.094 1.00 0.44 H new ATOM 0 HB3 LEU A 171 0.811 9.373 0.450 1.00 0.44 H new ATOM 0 HG LEU A 171 -0.940 10.024 -1.943 1.00 0.54 H new ATOM 0 HD11 LEU A 171 -1.261 12.190 -0.816 1.00 0.64 H new ATOM 0 HD12 LEU A 171 -1.874 10.837 0.166 1.00 0.64 H new ATOM 0 HD13 LEU A 171 -0.320 11.601 0.575 1.00 0.64 H new ATOM 0 HD21 LEU A 171 0.654 11.858 -2.338 1.00 0.62 H new ATOM 0 HD22 LEU A 171 1.670 11.257 -1.006 1.00 0.62 H new ATOM 0 HD23 LEU A 171 1.437 10.264 -2.464 1.00 0.62 H new ATOM 290 N SER A 172 0.369 5.986 0.102 1.00 0.28 N ATOM 291 CA SER A 172 0.684 4.859 0.973 1.00 0.29 C ATOM 292 C SER A 172 1.693 3.925 0.312 1.00 0.25 C ATOM 293 O SER A 172 2.727 3.601 0.894 1.00 0.27 O ATOM 294 CB SER A 172 -0.591 4.087 1.322 1.00 0.35 C ATOM 295 OG SER A 172 -1.535 4.923 1.968 1.00 0.42 O ATOM 0 H SER A 172 -0.609 6.043 -0.181 1.00 0.28 H new ATOM 0 HA SER A 172 1.126 5.252 1.889 1.00 0.29 H new ATOM 0 HB2 SER A 172 -1.029 3.673 0.414 1.00 0.35 H new ATOM 0 HB3 SER A 172 -0.344 3.245 1.969 1.00 0.35 H new ATOM 0 HG SER A 172 -1.937 5.530 1.312 1.00 0.42 H new ATOM 301 N HIS A 173 1.385 3.497 -0.908 1.00 0.23 N ATOM 302 CA HIS A 173 2.267 2.601 -1.648 1.00 0.24 C ATOM 303 C HIS A 173 3.611 3.267 -1.930 1.00 0.22 C ATOM 304 O HIS A 173 4.665 2.709 -1.626 1.00 0.24 O ATOM 305 CB HIS A 173 1.611 2.174 -2.964 1.00 0.31 C ATOM 306 CG HIS A 173 0.413 1.295 -2.777 1.00 0.37 C ATOM 307 ND1 HIS A 173 -0.859 1.660 -3.167 1.00 0.42 N ATOM 308 CD2 HIS A 173 0.300 0.054 -2.245 1.00 0.52 C ATOM 309 CE1 HIS A 173 -1.702 0.683 -2.881 1.00 0.48 C ATOM 310 NE2 HIS A 173 -1.024 -0.302 -2.323 1.00 0.53 N ATOM 0 H HIS A 173 0.533 3.756 -1.405 1.00 0.23 H new ATOM 0 HA HIS A 173 2.441 1.718 -1.033 1.00 0.24 H new ATOM 0 HB2 HIS A 173 1.315 3.064 -3.519 1.00 0.31 H new ATOM 0 HB3 HIS A 173 2.346 1.648 -3.573 1.00 0.31 H new ATOM 0 HD1 HIS A 173 -1.110 2.545 -3.607 1.00 0.42 H new ATOM 0 HD2 HIS A 173 1.101 -0.543 -1.836 1.00 0.52 H new ATOM 0 HE1 HIS A 173 -2.765 0.690 -3.072 1.00 0.48 H new ATOM 319 N LEU A 174 3.564 4.463 -2.507 1.00 0.22 N ATOM 320 CA LEU A 174 4.778 5.204 -2.830 1.00 0.26 C ATOM 321 C LEU A 174 5.661 5.368 -1.598 1.00 0.24 C ATOM 322 O LEU A 174 6.851 5.056 -1.628 1.00 0.29 O ATOM 323 CB LEU A 174 4.425 6.577 -3.408 1.00 0.31 C ATOM 324 CG LEU A 174 3.770 6.549 -4.792 1.00 0.36 C ATOM 325 CD1 LEU A 174 3.367 7.952 -5.217 1.00 0.42 C ATOM 326 CD2 LEU A 174 4.715 5.930 -5.812 1.00 0.42 C ATOM 0 H LEU A 174 2.699 4.940 -2.761 1.00 0.22 H new ATOM 0 HA LEU A 174 5.332 4.635 -3.577 1.00 0.26 H new ATOM 0 HB2 LEU A 174 3.753 7.084 -2.715 1.00 0.31 H new ATOM 0 HB3 LEU A 174 5.335 7.175 -3.465 1.00 0.31 H new ATOM 0 HG LEU A 174 2.871 5.936 -4.739 1.00 0.36 H new ATOM 0 HD11 LEU A 174 2.903 7.914 -6.203 1.00 0.42 H new ATOM 0 HD12 LEU A 174 2.658 8.360 -4.497 1.00 0.42 H new ATOM 0 HD13 LEU A 174 4.251 8.588 -5.256 1.00 0.42 H new ATOM 0 HD21 LEU A 174 4.236 5.917 -6.791 1.00 0.42 H new ATOM 0 HD22 LEU A 174 5.631 6.519 -5.864 1.00 0.42 H new ATOM 0 HD23 LEU A 174 4.956 4.910 -5.512 1.00 0.42 H new ATOM 338 N LEU A 175 5.069 5.861 -0.515 1.00 0.23 N ATOM 339 CA LEU A 175 5.802 6.063 0.729 1.00 0.27 C ATOM 340 C LEU A 175 6.396 4.750 1.229 1.00 0.24 C ATOM 341 O LEU A 175 7.555 4.700 1.641 1.00 0.27 O ATOM 342 CB LEU A 175 4.883 6.666 1.795 1.00 0.32 C ATOM 343 CG LEU A 175 4.464 8.116 1.540 1.00 0.37 C ATOM 344 CD1 LEU A 175 3.391 8.544 2.529 1.00 0.46 C ATOM 345 CD2 LEU A 175 5.669 9.039 1.627 1.00 0.46 C ATOM 0 H LEU A 175 4.085 6.128 -0.474 1.00 0.23 H new ATOM 0 HA LEU A 175 6.620 6.757 0.533 1.00 0.27 H new ATOM 0 HB2 LEU A 175 3.986 6.052 1.870 1.00 0.32 H new ATOM 0 HB3 LEU A 175 5.387 6.613 2.760 1.00 0.32 H new ATOM 0 HG LEU A 175 4.049 8.184 0.534 1.00 0.37 H new ATOM 0 HD11 LEU A 175 3.106 9.577 2.332 1.00 0.46 H new ATOM 0 HD12 LEU A 175 2.518 7.900 2.420 1.00 0.46 H new ATOM 0 HD13 LEU A 175 3.779 8.462 3.544 1.00 0.46 H new ATOM 0 HD21 LEU A 175 5.354 10.066 1.443 1.00 0.46 H new ATOM 0 HD22 LEU A 175 6.111 8.967 2.621 1.00 0.46 H new ATOM 0 HD23 LEU A 175 6.406 8.746 0.880 1.00 0.46 H new ATOM 357 N ALA A 176 5.597 3.688 1.189 1.00 0.21 N ATOM 358 CA ALA A 176 6.049 2.375 1.634 1.00 0.21 C ATOM 359 C ALA A 176 7.317 1.958 0.896 1.00 0.19 C ATOM 360 O ALA A 176 8.319 1.591 1.516 1.00 0.21 O ATOM 361 CB ALA A 176 4.949 1.344 1.430 1.00 0.21 C ATOM 0 H ALA A 176 4.634 3.711 0.853 1.00 0.21 H new ATOM 0 HA ALA A 176 6.281 2.433 2.697 1.00 0.21 H new ATOM 0 HB1 ALA A 176 5.299 0.368 1.766 1.00 0.21 H new ATOM 0 HB2 ALA A 176 4.069 1.632 2.005 1.00 0.21 H new ATOM 0 HB3 ALA A 176 4.690 1.292 0.372 1.00 0.21 H new ATOM 367 N ILE A 177 7.269 2.016 -0.431 1.00 0.18 N ATOM 368 CA ILE A 177 8.419 1.654 -1.248 1.00 0.20 C ATOM 369 C ILE A 177 9.638 2.465 -0.830 1.00 0.21 C ATOM 370 O ILE A 177 10.749 1.940 -0.749 1.00 0.23 O ATOM 371 CB ILE A 177 8.145 1.880 -2.749 1.00 0.23 C ATOM 372 CG1 ILE A 177 6.934 1.061 -3.198 1.00 0.25 C ATOM 373 CG2 ILE A 177 9.372 1.512 -3.574 1.00 0.27 C ATOM 374 CD1 ILE A 177 6.603 1.225 -4.666 1.00 0.47 C ATOM 0 H ILE A 177 6.448 2.309 -0.961 1.00 0.18 H new ATOM 0 HA ILE A 177 8.610 0.592 -1.091 1.00 0.20 H new ATOM 0 HB ILE A 177 7.926 2.936 -2.907 1.00 0.23 H new ATOM 0 HG12 ILE A 177 7.122 0.007 -2.992 1.00 0.25 H new ATOM 0 HG13 ILE A 177 6.068 1.353 -2.604 1.00 0.25 H new ATOM 0 HG21 ILE A 177 9.163 1.677 -4.631 1.00 0.27 H new ATOM 0 HG22 ILE A 177 10.215 2.133 -3.270 1.00 0.27 H new ATOM 0 HG23 ILE A 177 9.618 0.462 -3.412 1.00 0.27 H new ATOM 0 HD11 ILE A 177 5.734 0.616 -4.913 1.00 0.47 H new ATOM 0 HD12 ILE A 177 6.383 2.272 -4.875 1.00 0.47 H new ATOM 0 HD13 ILE A 177 7.453 0.906 -5.269 1.00 0.47 H new ATOM 386 N GLY A 178 9.421 3.750 -0.569 1.00 0.20 N ATOM 387 CA GLY A 178 10.507 4.614 -0.152 1.00 0.23 C ATOM 388 C GLY A 178 11.181 4.107 1.106 1.00 0.22 C ATOM 389 O GLY A 178 12.407 4.135 1.217 1.00 0.23 O ATOM 0 H GLY A 178 8.512 4.207 -0.639 1.00 0.20 H new ATOM 0 HA2 GLY A 178 11.242 4.686 -0.954 1.00 0.23 H new ATOM 0 HA3 GLY A 178 10.125 5.620 0.021 1.00 0.23 H new ATOM 393 N LEU A 179 10.376 3.640 2.057 1.00 0.21 N ATOM 394 CA LEU A 179 10.902 3.115 3.310 1.00 0.23 C ATOM 395 C LEU A 179 11.846 1.953 3.042 1.00 0.21 C ATOM 396 O LEU A 179 12.960 1.908 3.566 1.00 0.24 O ATOM 397 CB LEU A 179 9.760 2.658 4.221 1.00 0.27 C ATOM 398 CG LEU A 179 8.702 3.720 4.522 1.00 0.30 C ATOM 399 CD1 LEU A 179 7.661 3.176 5.486 1.00 0.36 C ATOM 400 CD2 LEU A 179 9.354 4.974 5.086 1.00 0.36 C ATOM 0 H LEU A 179 9.359 3.615 1.982 1.00 0.21 H new ATOM 0 HA LEU A 179 11.454 3.911 3.810 1.00 0.23 H new ATOM 0 HB2 LEU A 179 9.270 1.800 3.760 1.00 0.27 H new ATOM 0 HB3 LEU A 179 10.185 2.314 5.164 1.00 0.27 H new ATOM 0 HG LEU A 179 8.200 3.983 3.591 1.00 0.30 H new ATOM 0 HD11 LEU A 179 6.916 3.945 5.689 1.00 0.36 H new ATOM 0 HD12 LEU A 179 7.174 2.307 5.043 1.00 0.36 H new ATOM 0 HD13 LEU A 179 8.145 2.885 6.418 1.00 0.36 H new ATOM 0 HD21 LEU A 179 8.587 5.720 5.295 1.00 0.36 H new ATOM 0 HD22 LEU A 179 9.881 4.727 6.008 1.00 0.36 H new ATOM 0 HD23 LEU A 179 10.062 5.374 4.360 1.00 0.36 H new ATOM 412 N GLY A 180 11.391 1.010 2.224 1.00 0.20 N ATOM 413 CA GLY A 180 12.209 -0.142 1.893 1.00 0.23 C ATOM 414 C GLY A 180 13.553 0.253 1.312 1.00 0.24 C ATOM 415 O GLY A 180 14.597 -0.216 1.769 1.00 0.28 O ATOM 0 H GLY A 180 10.471 1.023 1.784 1.00 0.20 H new ATOM 0 HA2 GLY A 180 12.366 -0.743 2.789 1.00 0.23 H new ATOM 0 HA3 GLY A 180 11.677 -0.769 1.178 1.00 0.23 H new ATOM 419 N ILE A 181 13.528 1.116 0.303 1.00 0.26 N ATOM 420 CA ILE A 181 14.752 1.578 -0.342 1.00 0.32 C ATOM 421 C ILE A 181 15.639 2.332 0.644 1.00 0.33 C ATOM 422 O ILE A 181 16.856 2.146 0.669 1.00 0.34 O ATOM 423 CB ILE A 181 14.442 2.492 -1.544 1.00 0.41 C ATOM 424 CG1 ILE A 181 13.571 1.753 -2.562 1.00 0.47 C ATOM 425 CG2 ILE A 181 15.730 2.974 -2.198 1.00 0.52 C ATOM 426 CD1 ILE A 181 13.238 2.579 -3.785 1.00 0.90 C ATOM 0 H ILE A 181 12.672 1.511 -0.087 1.00 0.26 H new ATOM 0 HA ILE A 181 15.279 0.693 -0.697 1.00 0.32 H new ATOM 0 HB ILE A 181 13.894 3.363 -1.183 1.00 0.41 H new ATOM 0 HG12 ILE A 181 14.085 0.844 -2.876 1.00 0.47 H new ATOM 0 HG13 ILE A 181 12.644 1.444 -2.079 1.00 0.47 H new ATOM 0 HG21 ILE A 181 15.490 3.618 -3.044 1.00 0.52 H new ATOM 0 HG22 ILE A 181 16.319 3.534 -1.472 1.00 0.52 H new ATOM 0 HG23 ILE A 181 16.304 2.116 -2.547 1.00 0.52 H new ATOM 0 HD11 ILE A 181 12.618 1.992 -4.463 1.00 0.90 H new ATOM 0 HD12 ILE A 181 12.696 3.475 -3.482 1.00 0.90 H new ATOM 0 HD13 ILE A 181 14.159 2.866 -4.292 1.00 0.90 H new ATOM 438 N TYR A 182 15.020 3.185 1.453 1.00 0.35 N ATOM 439 CA TYR A 182 15.747 3.971 2.443 1.00 0.42 C ATOM 440 C TYR A 182 16.549 3.066 3.372 1.00 0.40 C ATOM 441 O TYR A 182 17.732 3.295 3.614 1.00 0.46 O ATOM 442 CB TYR A 182 14.771 4.824 3.256 1.00 0.49 C ATOM 443 CG TYR A 182 15.449 5.814 4.177 1.00 0.62 C ATOM 444 CD1 TYR A 182 15.813 5.455 5.469 1.00 1.16 C ATOM 445 CD2 TYR A 182 15.721 7.110 3.755 1.00 1.34 C ATOM 446 CE1 TYR A 182 16.429 6.358 6.313 1.00 1.25 C ATOM 447 CE2 TYR A 182 16.338 8.019 4.593 1.00 1.44 C ATOM 448 CZ TYR A 182 16.690 7.639 5.871 1.00 0.93 C ATOM 449 OH TYR A 182 17.303 8.542 6.710 1.00 1.09 O ATOM 0 H TYR A 182 14.013 3.350 1.442 1.00 0.35 H new ATOM 0 HA TYR A 182 16.442 4.626 1.917 1.00 0.42 H new ATOM 0 HB2 TYR A 182 14.119 5.366 2.571 1.00 0.49 H new ATOM 0 HB3 TYR A 182 14.135 4.167 3.849 1.00 0.49 H new ATOM 0 HD1 TYR A 182 15.611 4.453 5.819 1.00 1.16 H new ATOM 0 HD2 TYR A 182 15.445 7.412 2.755 1.00 1.34 H new ATOM 0 HE1 TYR A 182 16.705 6.063 7.315 1.00 1.25 H new ATOM 0 HE2 TYR A 182 16.544 9.022 4.249 1.00 1.44 H new ATOM 0 HH TYR A 182 17.415 9.397 6.245 1.00 1.09 H new ATOM 459 N ILE A 183 15.890 2.044 3.903 1.00 0.36 N ATOM 460 CA ILE A 183 16.542 1.099 4.800 1.00 0.42 C ATOM 461 C ILE A 183 17.664 0.342 4.089 1.00 0.41 C ATOM 462 O ILE A 183 18.769 0.210 4.614 1.00 0.46 O ATOM 463 CB ILE A 183 15.528 0.088 5.375 1.00 0.47 C ATOM 464 CG1 ILE A 183 14.421 0.824 6.132 1.00 0.56 C ATOM 465 CG2 ILE A 183 16.226 -0.912 6.286 1.00 0.58 C ATOM 466 CD1 ILE A 183 13.325 -0.085 6.641 1.00 0.80 C ATOM 0 H ILE A 183 14.904 1.848 3.728 1.00 0.36 H new ATOM 0 HA ILE A 183 16.970 1.679 5.618 1.00 0.42 H new ATOM 0 HB ILE A 183 15.078 -0.462 4.548 1.00 0.47 H new ATOM 0 HG12 ILE A 183 14.861 1.355 6.976 1.00 0.56 H new ATOM 0 HG13 ILE A 183 13.982 1.576 5.476 1.00 0.56 H new ATOM 0 HG21 ILE A 183 15.494 -1.616 6.682 1.00 0.58 H new ATOM 0 HG22 ILE A 183 16.982 -1.455 5.719 1.00 0.58 H new ATOM 0 HG23 ILE A 183 16.702 -0.382 7.111 1.00 0.58 H new ATOM 0 HD11 ILE A 183 12.576 0.507 7.167 1.00 0.80 H new ATOM 0 HD12 ILE A 183 12.857 -0.597 5.800 1.00 0.80 H new ATOM 0 HD13 ILE A 183 13.750 -0.821 7.323 1.00 0.80 H new ATOM 478 N GLY A 184 17.368 -0.152 2.889 1.00 0.39 N ATOM 479 CA GLY A 184 18.352 -0.899 2.125 1.00 0.46 C ATOM 480 C GLY A 184 19.575 -0.078 1.756 1.00 0.50 C ATOM 481 O GLY A 184 20.706 -0.492 2.010 1.00 0.55 O ATOM 0 H GLY A 184 16.462 -0.048 2.432 1.00 0.39 H new ATOM 0 HA2 GLY A 184 18.667 -1.768 2.703 1.00 0.46 H new ATOM 0 HA3 GLY A 184 17.886 -1.274 1.214 1.00 0.46 H new ATOM 485 N ARG A 185 19.354 1.084 1.152 1.00 0.53 N ATOM 486 CA ARG A 185 20.456 1.951 0.746 1.00 0.65 C ATOM 487 C ARG A 185 21.275 2.402 1.951 1.00 0.67 C ATOM 488 O ARG A 185 22.447 2.756 1.818 1.00 0.76 O ATOM 489 CB ARG A 185 19.925 3.172 -0.008 1.00 0.76 C ATOM 490 CG ARG A 185 18.944 4.003 0.798 1.00 0.72 C ATOM 491 CD ARG A 185 19.416 5.440 0.946 1.00 0.81 C ATOM 492 NE ARG A 185 19.567 6.102 -0.346 1.00 1.27 N ATOM 493 CZ ARG A 185 20.038 7.337 -0.490 1.00 1.59 C ATOM 494 NH1 ARG A 185 20.399 8.040 0.575 1.00 1.66 N ATOM 495 NH2 ARG A 185 20.148 7.871 -1.699 1.00 2.24 N ATOM 0 H ARG A 185 18.426 1.447 0.933 1.00 0.53 H new ATOM 0 HA ARG A 185 21.105 1.377 0.085 1.00 0.65 H new ATOM 0 HB2 ARG A 185 20.765 3.801 -0.302 1.00 0.76 H new ATOM 0 HB3 ARG A 185 19.439 2.839 -0.925 1.00 0.76 H new ATOM 0 HG2 ARG A 185 17.969 3.988 0.312 1.00 0.72 H new ATOM 0 HG3 ARG A 185 18.815 3.559 1.785 1.00 0.72 H new ATOM 0 HD2 ARG A 185 18.703 5.995 1.556 1.00 0.81 H new ATOM 0 HD3 ARG A 185 20.369 5.456 1.475 1.00 0.81 H new ATOM 0 HE ARG A 185 19.296 5.589 -1.185 1.00 1.27 H new ATOM 0 HH11 ARG A 185 20.316 7.633 1.507 1.00 1.66 H new ATOM 0 HH12 ARG A 185 20.760 8.987 0.462 1.00 1.66 H new ATOM 0 HH21 ARG A 185 19.871 7.334 -2.521 1.00 2.24 H new ATOM 0 HH22 ARG A 185 20.510 8.819 -1.807 1.00 2.24 H new ATOM 509 N ARG A 186 20.655 2.389 3.126 1.00 0.63 N ATOM 510 CA ARG A 186 21.330 2.803 4.351 1.00 0.73 C ATOM 511 C ARG A 186 21.826 1.594 5.144 1.00 0.74 C ATOM 512 O ARG A 186 21.784 1.590 6.374 1.00 0.86 O ATOM 513 CB ARG A 186 20.387 3.641 5.217 1.00 0.81 C ATOM 514 CG ARG A 186 19.958 4.951 4.571 1.00 1.80 C ATOM 515 CD ARG A 186 21.111 5.939 4.479 1.00 2.20 C ATOM 516 NE ARG A 186 22.007 5.642 3.365 1.00 2.90 N ATOM 517 CZ ARG A 186 23.055 6.394 3.044 1.00 3.61 C ATOM 518 NH1 ARG A 186 23.328 7.486 3.745 1.00 3.86 N ATOM 519 NH2 ARG A 186 23.828 6.058 2.020 1.00 4.48 N ATOM 0 H ARG A 186 19.687 2.096 3.256 1.00 0.63 H new ATOM 0 HA ARG A 186 22.194 3.406 4.071 1.00 0.73 H new ATOM 0 HB2 ARG A 186 19.499 3.052 5.445 1.00 0.81 H new ATOM 0 HB3 ARG A 186 20.878 3.858 6.166 1.00 0.81 H new ATOM 0 HG2 ARG A 186 19.568 4.753 3.573 1.00 1.80 H new ATOM 0 HG3 ARG A 186 19.146 5.393 5.149 1.00 1.80 H new ATOM 0 HD2 ARG A 186 20.714 6.948 4.364 1.00 2.20 H new ATOM 0 HD3 ARG A 186 21.676 5.923 5.411 1.00 2.20 H new ATOM 0 HE ARG A 186 21.818 4.812 2.802 1.00 2.90 H new ATOM 0 HH11 ARG A 186 22.734 7.749 4.531 1.00 3.86 H new ATOM 0 HH12 ARG A 186 24.132 8.063 3.498 1.00 3.86 H new ATOM 0 HH21 ARG A 186 23.619 5.221 1.476 1.00 4.48 H new ATOM 0 HH22 ARG A 186 24.632 6.637 1.776 1.00 4.48 H new ATOM 533 N LEU A 187 22.296 0.573 4.434 1.00 0.73 N ATOM 534 CA LEU A 187 22.802 -0.635 5.078 1.00 0.84 C ATOM 535 C LEU A 187 24.057 -0.339 5.892 1.00 1.03 C ATOM 536 O LEU A 187 24.151 -0.710 7.062 1.00 1.21 O ATOM 537 CB LEU A 187 23.104 -1.712 4.033 1.00 0.83 C ATOM 538 CG LEU A 187 21.948 -2.666 3.733 1.00 0.78 C ATOM 539 CD1 LEU A 187 22.312 -3.600 2.589 1.00 0.90 C ATOM 540 CD2 LEU A 187 21.580 -3.462 4.977 1.00 0.98 C ATOM 0 H LEU A 187 22.337 0.558 3.415 1.00 0.73 H new ATOM 0 HA LEU A 187 22.029 -1.000 5.755 1.00 0.84 H new ATOM 0 HB2 LEU A 187 23.401 -1.223 3.105 1.00 0.83 H new ATOM 0 HB3 LEU A 187 23.959 -2.297 4.373 1.00 0.83 H new ATOM 0 HG LEU A 187 21.082 -2.077 3.433 1.00 0.78 H new ATOM 0 HD11 LEU A 187 21.478 -4.272 2.389 1.00 0.90 H new ATOM 0 HD12 LEU A 187 22.528 -3.014 1.696 1.00 0.90 H new ATOM 0 HD13 LEU A 187 23.191 -4.184 2.862 1.00 0.90 H new ATOM 0 HD21 LEU A 187 20.755 -4.137 4.747 1.00 0.98 H new ATOM 0 HD22 LEU A 187 22.442 -4.042 5.306 1.00 0.98 H new ATOM 0 HD23 LEU A 187 21.279 -2.778 5.771 1.00 0.98 H new ATOM 789 N SER B 168 -5.897 -7.640 1.757 1.00 0.84 N ATOM 790 CA SER B 168 -5.225 -7.222 0.531 1.00 0.77 C ATOM 791 C SER B 168 -4.439 -5.936 0.761 1.00 0.60 C ATOM 792 O SER B 168 -3.311 -5.792 0.288 1.00 0.54 O ATOM 793 CB SER B 168 -6.244 -7.016 -0.591 1.00 0.90 C ATOM 794 OG SER B 168 -5.608 -6.608 -1.789 1.00 1.54 O ATOM 0 HA SER B 168 -4.530 -8.009 0.238 1.00 0.77 H new ATOM 0 HB2 SER B 168 -6.792 -7.942 -0.764 1.00 0.90 H new ATOM 0 HB3 SER B 168 -6.975 -6.265 -0.290 1.00 0.90 H new ATOM 0 HG SER B 168 -6.281 -6.485 -2.491 1.00 1.54 H new ATOM 800 N LEU B 169 -5.045 -5.002 1.487 1.00 0.60 N ATOM 801 CA LEU B 169 -4.404 -3.725 1.782 1.00 0.52 C ATOM 802 C LEU B 169 -3.114 -3.921 2.574 1.00 0.44 C ATOM 803 O LEU B 169 -2.061 -3.404 2.199 1.00 0.37 O ATOM 804 CB LEU B 169 -5.356 -2.816 2.561 1.00 0.63 C ATOM 805 CG LEU B 169 -6.563 -2.308 1.770 1.00 0.72 C ATOM 806 CD1 LEU B 169 -7.426 -1.407 2.637 1.00 0.86 C ATOM 807 CD2 LEU B 169 -6.106 -1.572 0.519 1.00 0.76 C ATOM 0 H LEU B 169 -5.980 -5.105 1.882 1.00 0.60 H new ATOM 0 HA LEU B 169 -4.155 -3.254 0.831 1.00 0.52 H new ATOM 0 HB2 LEU B 169 -5.716 -3.358 3.435 1.00 0.63 H new ATOM 0 HB3 LEU B 169 -4.794 -1.957 2.928 1.00 0.63 H new ATOM 0 HG LEU B 169 -7.163 -3.165 1.464 1.00 0.72 H new ATOM 0 HD11 LEU B 169 -8.280 -1.055 2.058 1.00 0.86 H new ATOM 0 HD12 LEU B 169 -7.780 -1.966 3.503 1.00 0.86 H new ATOM 0 HD13 LEU B 169 -6.838 -0.553 2.972 1.00 0.86 H new ATOM 0 HD21 LEU B 169 -6.976 -1.217 -0.033 1.00 0.76 H new ATOM 0 HD22 LEU B 169 -5.485 -0.722 0.803 1.00 0.76 H new ATOM 0 HD23 LEU B 169 -5.529 -2.249 -0.111 1.00 0.76 H new ATOM 819 N LEU B 170 -3.201 -4.670 3.669 1.00 0.51 N ATOM 820 CA LEU B 170 -2.035 -4.923 4.511 1.00 0.52 C ATOM 821 C LEU B 170 -0.908 -5.572 3.713 1.00 0.44 C ATOM 822 O LEU B 170 0.235 -5.117 3.757 1.00 0.40 O ATOM 823 CB LEU B 170 -2.410 -5.806 5.706 1.00 0.67 C ATOM 824 CG LEU B 170 -3.223 -5.120 6.810 1.00 0.80 C ATOM 825 CD1 LEU B 170 -4.550 -4.607 6.277 1.00 0.86 C ATOM 826 CD2 LEU B 170 -3.452 -6.078 7.969 1.00 0.93 C ATOM 0 H LEU B 170 -4.062 -5.111 3.994 1.00 0.51 H new ATOM 0 HA LEU B 170 -1.681 -3.961 4.882 1.00 0.52 H new ATOM 0 HB2 LEU B 170 -2.979 -6.660 5.339 1.00 0.67 H new ATOM 0 HB3 LEU B 170 -1.493 -6.199 6.146 1.00 0.67 H new ATOM 0 HG LEU B 170 -2.651 -4.264 7.168 1.00 0.80 H new ATOM 0 HD11 LEU B 170 -5.104 -4.126 7.083 1.00 0.86 H new ATOM 0 HD12 LEU B 170 -4.368 -3.886 5.480 1.00 0.86 H new ATOM 0 HD13 LEU B 170 -5.132 -5.441 5.885 1.00 0.86 H new ATOM 0 HD21 LEU B 170 -4.030 -5.578 8.746 1.00 0.93 H new ATOM 0 HD22 LEU B 170 -3.999 -6.952 7.616 1.00 0.93 H new ATOM 0 HD23 LEU B 170 -2.491 -6.391 8.377 1.00 0.93 H new ATOM 838 N LEU B 171 -1.234 -6.638 2.988 1.00 0.45 N ATOM 839 CA LEU B 171 -0.242 -7.344 2.184 1.00 0.45 C ATOM 840 C LEU B 171 0.378 -6.417 1.143 1.00 0.37 C ATOM 841 O LEU B 171 1.594 -6.412 0.947 1.00 0.38 O ATOM 842 CB LEU B 171 -0.879 -8.554 1.494 1.00 0.54 C ATOM 843 CG LEU B 171 -1.338 -9.666 2.437 1.00 0.65 C ATOM 844 CD1 LEU B 171 -2.014 -10.782 1.655 1.00 0.74 C ATOM 845 CD2 LEU B 171 -0.160 -10.208 3.233 1.00 0.74 C ATOM 0 H LEU B 171 -2.174 -7.031 2.941 1.00 0.45 H new ATOM 0 HA LEU B 171 0.548 -7.690 2.851 1.00 0.45 H new ATOM 0 HB2 LEU B 171 -1.736 -8.213 0.914 1.00 0.54 H new ATOM 0 HB3 LEU B 171 -0.161 -8.970 0.787 1.00 0.54 H new ATOM 0 HG LEU B 171 -2.063 -9.249 3.136 1.00 0.65 H new ATOM 0 HD11 LEU B 171 -2.334 -11.565 2.342 1.00 0.74 H new ATOM 0 HD12 LEU B 171 -2.881 -10.384 1.129 1.00 0.74 H new ATOM 0 HD13 LEU B 171 -1.311 -11.198 0.933 1.00 0.74 H new ATOM 0 HD21 LEU B 171 -0.504 -10.999 3.899 1.00 0.74 H new ATOM 0 HD22 LEU B 171 0.587 -10.610 2.549 1.00 0.74 H new ATOM 0 HD23 LEU B 171 0.282 -9.404 3.822 1.00 0.74 H new ATOM 857 N SER B 172 -0.464 -5.631 0.479 1.00 0.32 N ATOM 858 CA SER B 172 0.003 -4.699 -0.543 1.00 0.31 C ATOM 859 C SER B 172 1.075 -3.771 0.017 1.00 0.26 C ATOM 860 O SER B 172 2.150 -3.625 -0.566 1.00 0.30 O ATOM 861 CB SER B 172 -1.166 -3.875 -1.085 1.00 0.33 C ATOM 862 OG SER B 172 -2.141 -4.707 -1.691 1.00 0.40 O ATOM 0 H SER B 172 -1.473 -5.621 0.630 1.00 0.32 H new ATOM 0 HA SER B 172 0.438 -5.280 -1.357 1.00 0.31 H new ATOM 0 HB2 SER B 172 -1.622 -3.308 -0.274 1.00 0.33 H new ATOM 0 HB3 SER B 172 -0.798 -3.152 -1.813 1.00 0.33 H new ATOM 0 HG SER B 172 -2.436 -5.386 -1.049 1.00 0.40 H new ATOM 868 N HIS B 173 0.776 -3.144 1.149 1.00 0.22 N ATOM 869 CA HIS B 173 1.717 -2.229 1.784 1.00 0.23 C ATOM 870 C HIS B 173 3.019 -2.941 2.137 1.00 0.23 C ATOM 871 O HIS B 173 4.106 -2.459 1.819 1.00 0.25 O ATOM 872 CB HIS B 173 1.098 -1.615 3.041 1.00 0.28 C ATOM 873 CG HIS B 173 -0.105 -0.769 2.759 1.00 0.28 C ATOM 874 ND1 HIS B 173 -1.388 -1.143 3.102 1.00 0.34 N ATOM 875 CD2 HIS B 173 -0.216 0.444 2.165 1.00 0.36 C ATOM 876 CE1 HIS B 173 -2.234 -0.200 2.729 1.00 0.35 C ATOM 877 NE2 HIS B 173 -1.549 0.774 2.160 1.00 0.36 N ATOM 0 H HIS B 173 -0.109 -3.252 1.645 1.00 0.22 H new ATOM 0 HA HIS B 173 1.943 -1.433 1.074 1.00 0.23 H new ATOM 0 HB2 HIS B 173 0.818 -2.415 3.727 1.00 0.28 H new ATOM 0 HB3 HIS B 173 1.849 -1.009 3.548 1.00 0.28 H new ATOM 0 HD1 HIS B 173 -1.643 -2.012 3.571 1.00 0.34 H new ATOM 0 HD2 HIS B 173 0.593 1.040 1.769 1.00 0.36 H new ATOM 0 HE1 HIS B 173 -3.305 -0.222 2.866 1.00 0.35 H new ATOM 886 N LEU B 174 2.903 -4.092 2.792 1.00 0.24 N ATOM 887 CA LEU B 174 4.076 -4.866 3.184 1.00 0.27 C ATOM 888 C LEU B 174 4.925 -5.223 1.968 1.00 0.23 C ATOM 889 O LEU B 174 6.132 -4.984 1.952 1.00 0.24 O ATOM 890 CB LEU B 174 3.656 -6.140 3.921 1.00 0.33 C ATOM 891 CG LEU B 174 2.989 -5.913 5.280 1.00 0.40 C ATOM 892 CD1 LEU B 174 2.680 -7.242 5.950 1.00 0.48 C ATOM 893 CD2 LEU B 174 3.874 -5.056 6.173 1.00 0.47 C ATOM 0 H LEU B 174 2.012 -4.508 3.062 1.00 0.24 H new ATOM 0 HA LEU B 174 4.675 -4.251 3.855 1.00 0.27 H new ATOM 0 HB2 LEU B 174 2.970 -6.699 3.285 1.00 0.33 H new ATOM 0 HB3 LEU B 174 4.537 -6.765 4.066 1.00 0.33 H new ATOM 0 HG LEU B 174 2.050 -5.383 5.119 1.00 0.40 H new ATOM 0 HD11 LEU B 174 2.206 -7.062 6.915 1.00 0.48 H new ATOM 0 HD12 LEU B 174 2.007 -7.820 5.318 1.00 0.48 H new ATOM 0 HD13 LEU B 174 3.605 -7.798 6.099 1.00 0.48 H new ATOM 0 HD21 LEU B 174 3.383 -4.905 7.135 1.00 0.47 H new ATOM 0 HD22 LEU B 174 4.829 -5.558 6.328 1.00 0.47 H new ATOM 0 HD23 LEU B 174 4.044 -4.090 5.697 1.00 0.47 H new ATOM 905 N LEU B 175 4.287 -5.796 0.951 1.00 0.22 N ATOM 906 CA LEU B 175 4.990 -6.181 -0.268 1.00 0.23 C ATOM 907 C LEU B 175 5.713 -4.984 -0.878 1.00 0.21 C ATOM 908 O LEU B 175 6.862 -5.093 -1.305 1.00 0.23 O ATOM 909 CB LEU B 175 4.012 -6.777 -1.284 1.00 0.27 C ATOM 910 CG LEU B 175 3.375 -8.105 -0.869 1.00 0.32 C ATOM 911 CD1 LEU B 175 2.371 -8.565 -1.914 1.00 0.38 C ATOM 912 CD2 LEU B 175 4.445 -9.164 -0.654 1.00 0.38 C ATOM 0 H LEU B 175 3.288 -6.003 0.947 1.00 0.22 H new ATOM 0 HA LEU B 175 5.731 -6.936 -0.007 1.00 0.23 H new ATOM 0 HB2 LEU B 175 3.218 -6.053 -1.469 1.00 0.27 H new ATOM 0 HB3 LEU B 175 4.537 -6.923 -2.228 1.00 0.27 H new ATOM 0 HG LEU B 175 2.846 -7.954 0.072 1.00 0.32 H new ATOM 0 HD11 LEU B 175 1.928 -9.511 -1.602 1.00 0.38 H new ATOM 0 HD12 LEU B 175 1.587 -7.815 -2.020 1.00 0.38 H new ATOM 0 HD13 LEU B 175 2.877 -8.699 -2.870 1.00 0.38 H new ATOM 0 HD21 LEU B 175 3.975 -10.102 -0.359 1.00 0.38 H new ATOM 0 HD22 LEU B 175 5.001 -9.312 -1.579 1.00 0.38 H new ATOM 0 HD23 LEU B 175 5.127 -8.838 0.131 1.00 0.38 H new ATOM 924 N ALA B 176 5.033 -3.842 -0.916 1.00 0.21 N ATOM 925 CA ALA B 176 5.615 -2.625 -1.470 1.00 0.23 C ATOM 926 C ALA B 176 6.963 -2.324 -0.824 1.00 0.22 C ATOM 927 O ALA B 176 7.964 -2.120 -1.512 1.00 0.24 O ATOM 928 CB ALA B 176 4.665 -1.452 -1.281 1.00 0.26 C ATOM 0 H ALA B 176 4.080 -3.734 -0.570 1.00 0.21 H new ATOM 0 HA ALA B 176 5.775 -2.779 -2.537 1.00 0.23 H new ATOM 0 HB1 ALA B 176 5.112 -0.550 -1.699 1.00 0.26 H new ATOM 0 HB2 ALA B 176 3.724 -1.660 -1.790 1.00 0.26 H new ATOM 0 HB3 ALA B 176 4.477 -1.304 -0.218 1.00 0.26 H new ATOM 934 N ILE B 177 6.979 -2.299 0.505 1.00 0.20 N ATOM 935 CA ILE B 177 8.204 -2.032 1.247 1.00 0.21 C ATOM 936 C ILE B 177 9.281 -3.047 0.886 1.00 0.21 C ATOM 937 O ILE B 177 10.449 -2.697 0.717 1.00 0.22 O ATOM 938 CB ILE B 177 7.961 -2.073 2.768 1.00 0.22 C ATOM 939 CG1 ILE B 177 6.821 -1.126 3.150 1.00 0.24 C ATOM 940 CG2 ILE B 177 9.233 -1.706 3.517 1.00 0.25 C ATOM 941 CD1 ILE B 177 6.534 -1.096 4.635 1.00 0.29 C ATOM 0 H ILE B 177 6.158 -2.460 1.089 1.00 0.20 H new ATOM 0 HA ILE B 177 8.537 -1.031 0.972 1.00 0.21 H new ATOM 0 HB ILE B 177 7.676 -3.087 3.048 1.00 0.22 H new ATOM 0 HG12 ILE B 177 7.068 -0.119 2.815 1.00 0.24 H new ATOM 0 HG13 ILE B 177 5.917 -1.425 2.619 1.00 0.24 H new ATOM 0 HG21 ILE B 177 9.046 -1.739 4.590 1.00 0.25 H new ATOM 0 HG22 ILE B 177 10.022 -2.415 3.264 1.00 0.25 H new ATOM 0 HG23 ILE B 177 9.545 -0.701 3.234 1.00 0.25 H new ATOM 0 HD11 ILE B 177 5.715 -0.404 4.833 1.00 0.29 H new ATOM 0 HD12 ILE B 177 6.255 -2.094 4.972 1.00 0.29 H new ATOM 0 HD13 ILE B 177 7.424 -0.767 5.171 1.00 0.29 H new ATOM 953 N GLY B 178 8.876 -4.308 0.771 1.00 0.21 N ATOM 954 CA GLY B 178 9.814 -5.357 0.423 1.00 0.23 C ATOM 955 C GLY B 178 10.524 -5.072 -0.884 1.00 0.23 C ATOM 956 O GLY B 178 11.740 -5.238 -0.988 1.00 0.26 O ATOM 0 H GLY B 178 7.916 -4.621 0.913 1.00 0.21 H new ATOM 0 HA2 GLY B 178 10.550 -5.464 1.220 1.00 0.23 H new ATOM 0 HA3 GLY B 178 9.285 -6.307 0.348 1.00 0.23 H new ATOM 960 N LEU B 179 9.762 -4.639 -1.884 1.00 0.21 N ATOM 961 CA LEU B 179 10.325 -4.320 -3.188 1.00 0.23 C ATOM 962 C LEU B 179 11.386 -3.235 -3.051 1.00 0.24 C ATOM 963 O LEU B 179 12.486 -3.355 -3.591 1.00 0.28 O ATOM 964 CB LEU B 179 9.228 -3.856 -4.148 1.00 0.25 C ATOM 965 CG LEU B 179 8.090 -4.855 -4.362 1.00 0.27 C ATOM 966 CD1 LEU B 179 7.119 -4.339 -5.412 1.00 0.34 C ATOM 967 CD2 LEU B 179 8.643 -6.214 -4.767 1.00 0.33 C ATOM 0 H LEU B 179 8.754 -4.502 -1.814 1.00 0.21 H new ATOM 0 HA LEU B 179 10.786 -5.221 -3.593 1.00 0.23 H new ATOM 0 HB2 LEU B 179 8.807 -2.924 -3.771 1.00 0.25 H new ATOM 0 HB3 LEU B 179 9.682 -3.633 -5.114 1.00 0.25 H new ATOM 0 HG LEU B 179 7.550 -4.970 -3.422 1.00 0.27 H new ATOM 0 HD11 LEU B 179 6.316 -5.062 -5.552 1.00 0.34 H new ATOM 0 HD12 LEU B 179 6.698 -3.389 -5.083 1.00 0.34 H new ATOM 0 HD13 LEU B 179 7.646 -4.195 -6.355 1.00 0.34 H new ATOM 0 HD21 LEU B 179 7.819 -6.912 -4.915 1.00 0.33 H new ATOM 0 HD22 LEU B 179 9.207 -6.116 -5.695 1.00 0.33 H new ATOM 0 HD23 LEU B 179 9.299 -6.588 -3.982 1.00 0.33 H new ATOM 979 N GLY B 180 11.047 -2.177 -2.321 1.00 0.23 N ATOM 980 CA GLY B 180 11.982 -1.088 -2.119 1.00 0.27 C ATOM 981 C GLY B 180 13.318 -1.573 -1.591 1.00 0.29 C ATOM 982 O GLY B 180 14.372 -1.170 -2.084 1.00 0.34 O ATOM 0 H GLY B 180 10.142 -2.055 -1.867 1.00 0.23 H new ATOM 0 HA2 GLY B 180 12.135 -0.562 -3.062 1.00 0.27 H new ATOM 0 HA3 GLY B 180 11.555 -0.370 -1.419 1.00 0.27 H new ATOM 986 N ILE B 181 13.273 -2.441 -0.585 1.00 0.27 N ATOM 987 CA ILE B 181 14.488 -2.986 0.010 1.00 0.32 C ATOM 988 C ILE B 181 15.337 -3.688 -1.043 1.00 0.37 C ATOM 989 O ILE B 181 16.527 -3.409 -1.184 1.00 0.44 O ATOM 990 CB ILE B 181 14.164 -3.989 1.132 1.00 0.34 C ATOM 991 CG1 ILE B 181 13.283 -3.335 2.197 1.00 0.32 C ATOM 992 CG2 ILE B 181 15.447 -4.521 1.754 1.00 0.42 C ATOM 993 CD1 ILE B 181 12.777 -4.309 3.240 1.00 0.67 C ATOM 0 H ILE B 181 12.408 -2.782 -0.165 1.00 0.27 H new ATOM 0 HA ILE B 181 15.041 -2.146 0.431 1.00 0.32 H new ATOM 0 HB ILE B 181 13.616 -4.826 0.700 1.00 0.34 H new ATOM 0 HG12 ILE B 181 13.849 -2.546 2.692 1.00 0.32 H new ATOM 0 HG13 ILE B 181 12.431 -2.859 1.711 1.00 0.32 H new ATOM 0 HG21 ILE B 181 15.201 -5.229 2.546 1.00 0.42 H new ATOM 0 HG22 ILE B 181 16.041 -5.023 0.990 1.00 0.42 H new ATOM 0 HG23 ILE B 181 16.019 -3.693 2.173 1.00 0.42 H new ATOM 0 HD11 ILE B 181 12.159 -3.778 3.964 1.00 0.67 H new ATOM 0 HD12 ILE B 181 12.184 -5.085 2.756 1.00 0.67 H new ATOM 0 HD13 ILE B 181 13.624 -4.766 3.752 1.00 0.67 H new ATOM 1005 N TYR B 182 14.713 -4.601 -1.778 1.00 0.36 N ATOM 1006 CA TYR B 182 15.405 -5.346 -2.822 1.00 0.42 C ATOM 1007 C TYR B 182 16.125 -4.394 -3.772 1.00 0.45 C ATOM 1008 O TYR B 182 17.302 -4.579 -4.081 1.00 0.51 O ATOM 1009 CB TYR B 182 14.408 -6.209 -3.598 1.00 0.46 C ATOM 1010 CG TYR B 182 15.055 -7.163 -4.578 1.00 0.58 C ATOM 1011 CD1 TYR B 182 15.701 -8.311 -4.135 1.00 1.20 C ATOM 1012 CD2 TYR B 182 15.016 -6.917 -5.944 1.00 1.48 C ATOM 1013 CE1 TYR B 182 16.290 -9.186 -5.026 1.00 1.25 C ATOM 1014 CE2 TYR B 182 15.602 -7.788 -6.842 1.00 1.56 C ATOM 1015 CZ TYR B 182 16.238 -8.921 -6.379 1.00 0.83 C ATOM 1016 OH TYR B 182 16.823 -9.791 -7.270 1.00 0.97 O ATOM 0 H TYR B 182 13.728 -4.843 -1.670 1.00 0.36 H new ATOM 0 HA TYR B 182 16.146 -5.993 -2.353 1.00 0.42 H new ATOM 0 HB2 TYR B 182 13.810 -6.782 -2.889 1.00 0.46 H new ATOM 0 HB3 TYR B 182 13.723 -5.557 -4.139 1.00 0.46 H new ATOM 0 HD1 TYR B 182 15.743 -8.522 -3.077 1.00 1.20 H new ATOM 0 HD2 TYR B 182 14.520 -6.031 -6.310 1.00 1.48 H new ATOM 0 HE1 TYR B 182 16.789 -10.073 -4.666 1.00 1.25 H new ATOM 0 HE2 TYR B 182 15.562 -7.583 -7.902 1.00 1.56 H new ATOM 0 HH TYR B 182 16.696 -9.459 -8.183 1.00 0.97 H new ATOM 1026 N ILE B 183 15.406 -3.379 -4.235 1.00 0.44 N ATOM 1027 CA ILE B 183 15.971 -2.390 -5.142 1.00 0.50 C ATOM 1028 C ILE B 183 17.112 -1.623 -4.480 1.00 0.52 C ATOM 1029 O ILE B 183 18.168 -1.419 -5.081 1.00 0.59 O ATOM 1030 CB ILE B 183 14.901 -1.387 -5.614 1.00 0.55 C ATOM 1031 CG1 ILE B 183 13.731 -2.126 -6.265 1.00 0.59 C ATOM 1032 CG2 ILE B 183 15.505 -0.383 -6.584 1.00 0.64 C ATOM 1033 CD1 ILE B 183 12.641 -1.204 -6.767 1.00 0.83 C ATOM 0 H ILE B 183 14.427 -3.220 -3.996 1.00 0.44 H new ATOM 0 HA ILE B 183 16.356 -2.935 -6.004 1.00 0.50 H new ATOM 0 HB ILE B 183 14.527 -0.844 -4.746 1.00 0.55 H new ATOM 0 HG12 ILE B 183 14.105 -2.721 -7.098 1.00 0.59 H new ATOM 0 HG13 ILE B 183 13.304 -2.822 -5.543 1.00 0.59 H new ATOM 0 HG21 ILE B 183 14.736 0.318 -6.908 1.00 0.64 H new ATOM 0 HG22 ILE B 183 16.309 0.163 -6.089 1.00 0.64 H new ATOM 0 HG23 ILE B 183 15.904 -0.909 -7.451 1.00 0.64 H new ATOM 0 HD11 ILE B 183 11.843 -1.795 -7.217 1.00 0.83 H new ATOM 0 HD12 ILE B 183 12.240 -0.627 -5.934 1.00 0.83 H new ATOM 0 HD13 ILE B 183 13.054 -0.525 -7.513 1.00 0.83 H new ATOM 1045 N GLY B 184 16.893 -1.202 -3.237 1.00 0.50 N ATOM 1046 CA GLY B 184 17.907 -0.453 -2.514 1.00 0.57 C ATOM 1047 C GLY B 184 19.209 -1.214 -2.355 1.00 0.62 C ATOM 1048 O GLY B 184 20.276 -0.706 -2.700 1.00 0.69 O ATOM 0 H GLY B 184 16.031 -1.366 -2.717 1.00 0.50 H new ATOM 0 HA2 GLY B 184 18.102 0.483 -3.038 1.00 0.57 H new ATOM 0 HA3 GLY B 184 17.523 -0.192 -1.528 1.00 0.57 H new ATOM 1052 N ARG B 185 19.128 -2.435 -1.834 1.00 0.62 N ATOM 1053 CA ARG B 185 20.319 -3.256 -1.636 1.00 0.72 C ATOM 1054 C ARG B 185 21.054 -3.487 -2.955 1.00 0.79 C ATOM 1055 O ARG B 185 22.240 -3.816 -2.961 1.00 0.88 O ATOM 1056 CB ARG B 185 19.955 -4.595 -0.984 1.00 0.77 C ATOM 1057 CG ARG B 185 18.845 -5.355 -1.687 1.00 0.72 C ATOM 1058 CD ARG B 185 19.370 -6.177 -2.852 1.00 1.02 C ATOM 1059 NE ARG B 185 20.329 -7.190 -2.421 1.00 1.43 N ATOM 1060 CZ ARG B 185 20.678 -8.236 -3.164 1.00 2.03 C ATOM 1061 NH1 ARG B 185 20.134 -8.414 -4.360 1.00 2.27 N ATOM 1062 NH2 ARG B 185 21.569 -9.107 -2.711 1.00 2.56 N ATOM 0 H ARG B 185 18.256 -2.876 -1.543 1.00 0.62 H new ATOM 0 HA ARG B 185 20.987 -2.716 -0.965 1.00 0.72 H new ATOM 0 HB2 ARG B 185 20.845 -5.223 -0.952 1.00 0.77 H new ATOM 0 HB3 ARG B 185 19.656 -4.413 0.048 1.00 0.77 H new ATOM 0 HG2 ARG B 185 18.347 -6.012 -0.974 1.00 0.72 H new ATOM 0 HG3 ARG B 185 18.095 -4.651 -2.048 1.00 0.72 H new ATOM 0 HD2 ARG B 185 18.535 -6.661 -3.359 1.00 1.02 H new ATOM 0 HD3 ARG B 185 19.843 -5.516 -3.578 1.00 1.02 H new ATOM 0 HE ARG B 185 20.755 -7.090 -1.499 1.00 1.43 H new ATOM 0 HH11 ARG B 185 19.446 -7.748 -4.712 1.00 2.27 H new ATOM 0 HH12 ARG B 185 20.403 -9.217 -4.928 1.00 2.27 H new ATOM 0 HH21 ARG B 185 21.988 -8.976 -1.791 1.00 2.56 H new ATOM 0 HH22 ARG B 185 21.835 -9.909 -3.283 1.00 2.56 H new