USER MOD reduce.3.24.130724 H: found=0, std=0, add=328, rem=0, adj=7 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 31:sc= 0.0649 USER MOD Single : A 172 SER OG : rot 55:sc= 1.21 USER MOD Single : A 173 HIS : no HE2:sc= -1.8! C(o=-1.8!,f=-3.5!) USER MOD Single : A 182 TYR OH : rot 150:sc= -0.814 USER MOD Single : B 168 SER OG : rot 180:sc= 0 USER MOD Single : B 172 SER OG : rot 70:sc= 1.24 USER MOD Single : B 173 HIS : no HD1:sc= -3.34! C(o=-3.3!,f=-5.2!) USER MOD Single : B 182 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 222 N SER A 168 -4.881 8.197 -0.086 1.00 0.76 N ATOM 223 CA SER A 168 -4.088 7.490 0.913 1.00 0.70 C ATOM 224 C SER A 168 -3.403 6.276 0.298 1.00 0.57 C ATOM 225 O SER A 168 -2.228 6.017 0.557 1.00 0.51 O ATOM 226 CB SER A 168 -4.972 7.051 2.083 1.00 0.82 C ATOM 227 OG SER A 168 -5.581 8.167 2.710 1.00 1.39 O ATOM 0 HA SER A 168 -3.323 8.172 1.283 1.00 0.70 H new ATOM 0 HB2 SER A 168 -5.741 6.367 1.725 1.00 0.82 H new ATOM 0 HB3 SER A 168 -4.372 6.504 2.810 1.00 0.82 H new ATOM 0 HG SER A 168 -5.730 8.873 2.047 1.00 1.39 H new ATOM 233 N LEU A 169 -4.146 5.536 -0.519 1.00 0.58 N ATOM 234 CA LEU A 169 -3.613 4.349 -1.173 1.00 0.51 C ATOM 235 C LEU A 169 -2.390 4.695 -2.018 1.00 0.41 C ATOM 236 O LEU A 169 -1.367 4.016 -1.950 1.00 0.36 O ATOM 237 CB LEU A 169 -4.684 3.694 -2.047 1.00 0.64 C ATOM 238 CG LEU A 169 -5.941 3.240 -1.302 1.00 0.77 C ATOM 239 CD1 LEU A 169 -6.908 2.554 -2.256 1.00 1.07 C ATOM 240 CD2 LEU A 169 -5.572 2.312 -0.154 1.00 0.81 C ATOM 0 H LEU A 169 -5.120 5.739 -0.743 1.00 0.58 H new ATOM 0 HA LEU A 169 -3.309 3.645 -0.398 1.00 0.51 H new ATOM 0 HB2 LEU A 169 -4.976 4.399 -2.826 1.00 0.64 H new ATOM 0 HB3 LEU A 169 -4.245 2.831 -2.547 1.00 0.64 H new ATOM 0 HG LEU A 169 -6.434 4.120 -0.888 1.00 0.77 H new ATOM 0 HD11 LEU A 169 -7.796 2.238 -1.709 1.00 1.07 H new ATOM 0 HD12 LEU A 169 -7.196 3.249 -3.044 1.00 1.07 H new ATOM 0 HD13 LEU A 169 -6.425 1.683 -2.699 1.00 1.07 H new ATOM 0 HD21 LEU A 169 -6.477 1.998 0.366 1.00 0.81 H new ATOM 0 HD22 LEU A 169 -5.056 1.435 -0.546 1.00 0.81 H new ATOM 0 HD23 LEU A 169 -4.918 2.837 0.542 1.00 0.81 H new ATOM 252 N LEU A 170 -2.504 5.756 -2.812 1.00 0.46 N ATOM 253 CA LEU A 170 -1.403 6.186 -3.667 1.00 0.47 C ATOM 254 C LEU A 170 -0.181 6.544 -2.829 1.00 0.38 C ATOM 255 O LEU A 170 0.927 6.075 -3.096 1.00 0.39 O ATOM 256 CB LEU A 170 -1.820 7.385 -4.524 1.00 0.60 C ATOM 257 CG LEU A 170 -2.806 7.072 -5.654 1.00 0.73 C ATOM 258 CD1 LEU A 170 -4.133 6.586 -5.094 1.00 0.88 C ATOM 259 CD2 LEU A 170 -3.014 8.298 -6.530 1.00 1.12 C ATOM 0 H LEU A 170 -3.344 6.331 -2.881 1.00 0.46 H new ATOM 0 HA LEU A 170 -1.145 5.358 -4.327 1.00 0.47 H new ATOM 0 HB2 LEU A 170 -2.266 8.138 -3.874 1.00 0.60 H new ATOM 0 HB3 LEU A 170 -0.924 7.829 -4.958 1.00 0.60 H new ATOM 0 HG LEU A 170 -2.383 6.275 -6.266 1.00 0.73 H new ATOM 0 HD11 LEU A 170 -4.817 6.370 -5.915 1.00 0.88 H new ATOM 0 HD12 LEU A 170 -3.971 5.681 -4.509 1.00 0.88 H new ATOM 0 HD13 LEU A 170 -4.564 7.358 -4.456 1.00 0.88 H new ATOM 0 HD21 LEU A 170 -3.717 8.060 -7.328 1.00 1.12 H new ATOM 0 HD22 LEU A 170 -3.413 9.113 -5.926 1.00 1.12 H new ATOM 0 HD23 LEU A 170 -2.061 8.601 -6.964 1.00 1.12 H new ATOM 271 N LEU A 171 -0.388 7.379 -1.814 1.00 0.36 N ATOM 272 CA LEU A 171 0.698 7.793 -0.933 1.00 0.37 C ATOM 273 C LEU A 171 1.294 6.589 -0.214 1.00 0.32 C ATOM 274 O LEU A 171 2.514 6.457 -0.107 1.00 0.35 O ATOM 275 CB LEU A 171 0.195 8.817 0.089 1.00 0.44 C ATOM 276 CG LEU A 171 -0.308 10.135 -0.503 1.00 0.54 C ATOM 277 CD1 LEU A 171 -0.859 11.037 0.591 1.00 0.64 C ATOM 278 CD2 LEU A 171 0.807 10.839 -1.262 1.00 0.62 C ATOM 0 H LEU A 171 -1.296 7.781 -1.582 1.00 0.36 H new ATOM 0 HA LEU A 171 1.475 8.255 -1.542 1.00 0.37 H new ATOM 0 HB2 LEU A 171 -0.612 8.365 0.666 1.00 0.44 H new ATOM 0 HB3 LEU A 171 1.002 9.036 0.788 1.00 0.44 H new ATOM 0 HG LEU A 171 -1.114 9.911 -1.202 1.00 0.54 H new ATOM 0 HD11 LEU A 171 -1.212 11.969 0.150 1.00 0.64 H new ATOM 0 HD12 LEU A 171 -1.687 10.536 1.093 1.00 0.64 H new ATOM 0 HD13 LEU A 171 -0.073 11.252 1.315 1.00 0.64 H new ATOM 0 HD21 LEU A 171 0.431 11.775 -1.676 1.00 0.62 H new ATOM 0 HD22 LEU A 171 1.633 11.049 -0.583 1.00 0.62 H new ATOM 0 HD23 LEU A 171 1.157 10.198 -2.072 1.00 0.62 H new ATOM 290 N SER A 172 0.426 5.710 0.277 1.00 0.28 N ATOM 291 CA SER A 172 0.865 4.514 0.985 1.00 0.29 C ATOM 292 C SER A 172 1.865 3.722 0.148 1.00 0.25 C ATOM 293 O SER A 172 2.935 3.351 0.630 1.00 0.27 O ATOM 294 CB SER A 172 -0.336 3.631 1.334 1.00 0.35 C ATOM 295 OG SER A 172 -1.230 4.304 2.203 1.00 0.42 O ATOM 0 H SER A 172 -0.586 5.804 0.197 1.00 0.28 H new ATOM 0 HA SER A 172 1.356 4.828 1.906 1.00 0.29 H new ATOM 0 HB2 SER A 172 -0.858 3.345 0.421 1.00 0.35 H new ATOM 0 HB3 SER A 172 0.010 2.711 1.805 1.00 0.35 H new ATOM 0 HG SER A 172 -1.492 5.160 1.804 1.00 0.42 H new ATOM 301 N HIS A 173 1.510 3.468 -1.106 1.00 0.23 N ATOM 302 CA HIS A 173 2.380 2.720 -2.009 1.00 0.24 C ATOM 303 C HIS A 173 3.726 3.418 -2.164 1.00 0.22 C ATOM 304 O HIS A 173 4.779 2.794 -2.033 1.00 0.24 O ATOM 305 CB HIS A 173 1.718 2.558 -3.379 1.00 0.31 C ATOM 306 CG HIS A 173 0.441 1.776 -3.341 1.00 0.37 C ATOM 307 ND1 HIS A 173 -0.777 2.306 -3.710 1.00 0.42 N ATOM 308 CD2 HIS A 173 0.198 0.494 -2.980 1.00 0.52 C ATOM 309 CE1 HIS A 173 -1.714 1.384 -3.578 1.00 0.48 C ATOM 310 NE2 HIS A 173 -1.149 0.275 -3.138 1.00 0.53 N ATOM 0 H HIS A 173 0.628 3.768 -1.521 1.00 0.23 H new ATOM 0 HA HIS A 173 2.546 1.733 -1.577 1.00 0.24 H new ATOM 0 HB2 HIS A 173 1.517 3.545 -3.795 1.00 0.31 H new ATOM 0 HB3 HIS A 173 2.417 2.064 -4.054 1.00 0.31 H new ATOM 0 HD1 HIS A 173 -0.931 3.261 -4.034 1.00 0.42 H new ATOM 0 HD2 HIS A 173 0.927 -0.223 -2.633 1.00 0.52 H new ATOM 0 HE1 HIS A 173 -2.764 1.515 -3.794 1.00 0.48 H new ATOM 319 N LEU A 174 3.684 4.717 -2.442 1.00 0.22 N ATOM 320 CA LEU A 174 4.901 5.501 -2.618 1.00 0.26 C ATOM 321 C LEU A 174 5.735 5.509 -1.341 1.00 0.24 C ATOM 322 O LEU A 174 6.948 5.306 -1.380 1.00 0.29 O ATOM 323 CB LEU A 174 4.553 6.934 -3.026 1.00 0.31 C ATOM 324 CG LEU A 174 3.743 7.060 -4.317 1.00 0.36 C ATOM 325 CD1 LEU A 174 3.431 8.519 -4.611 1.00 0.42 C ATOM 326 CD2 LEU A 174 4.494 6.429 -5.480 1.00 0.42 C ATOM 0 H LEU A 174 2.820 5.249 -2.550 1.00 0.22 H new ATOM 0 HA LEU A 174 5.491 5.038 -3.409 1.00 0.26 H new ATOM 0 HB2 LEU A 174 3.992 7.400 -2.216 1.00 0.31 H new ATOM 0 HB3 LEU A 174 5.479 7.499 -3.139 1.00 0.31 H new ATOM 0 HG LEU A 174 2.801 6.528 -4.186 1.00 0.36 H new ATOM 0 HD11 LEU A 174 2.854 8.589 -5.533 1.00 0.42 H new ATOM 0 HD12 LEU A 174 2.853 8.940 -3.789 1.00 0.42 H new ATOM 0 HD13 LEU A 174 4.362 9.075 -4.722 1.00 0.42 H new ATOM 0 HD21 LEU A 174 3.903 6.527 -6.391 1.00 0.42 H new ATOM 0 HD22 LEU A 174 5.451 6.934 -5.612 1.00 0.42 H new ATOM 0 HD23 LEU A 174 4.666 5.373 -5.272 1.00 0.42 H new ATOM 338 N LEU A 175 5.076 5.744 -0.211 1.00 0.23 N ATOM 339 CA LEU A 175 5.759 5.777 1.078 1.00 0.27 C ATOM 340 C LEU A 175 6.396 4.427 1.395 1.00 0.24 C ATOM 341 O LEU A 175 7.556 4.357 1.801 1.00 0.27 O ATOM 342 CB LEU A 175 4.781 6.165 2.191 1.00 0.32 C ATOM 343 CG LEU A 175 4.255 7.599 2.124 1.00 0.37 C ATOM 344 CD1 LEU A 175 3.294 7.867 3.272 1.00 0.46 C ATOM 345 CD2 LEU A 175 5.408 8.591 2.151 1.00 0.46 C ATOM 0 H LEU A 175 4.072 5.914 -0.161 1.00 0.23 H new ATOM 0 HA LEU A 175 6.549 6.526 1.020 1.00 0.27 H new ATOM 0 HB2 LEU A 175 3.932 5.482 2.161 1.00 0.32 H new ATOM 0 HB3 LEU A 175 5.274 6.020 3.153 1.00 0.32 H new ATOM 0 HG LEU A 175 3.715 7.725 1.186 1.00 0.37 H new ATOM 0 HD11 LEU A 175 2.929 8.892 3.209 1.00 0.46 H new ATOM 0 HD12 LEU A 175 2.452 7.178 3.210 1.00 0.46 H new ATOM 0 HD13 LEU A 175 3.811 7.724 4.221 1.00 0.46 H new ATOM 0 HD21 LEU A 175 5.015 9.607 2.103 1.00 0.46 H new ATOM 0 HD22 LEU A 175 5.975 8.465 3.073 1.00 0.46 H new ATOM 0 HD23 LEU A 175 6.061 8.413 1.296 1.00 0.46 H new ATOM 357 N ALA A 176 5.632 3.356 1.205 1.00 0.21 N ATOM 358 CA ALA A 176 6.120 2.008 1.476 1.00 0.21 C ATOM 359 C ALA A 176 7.430 1.735 0.743 1.00 0.19 C ATOM 360 O ALA A 176 8.419 1.321 1.350 1.00 0.21 O ATOM 361 CB ALA A 176 5.071 0.981 1.082 1.00 0.21 C ATOM 0 H ALA A 176 4.671 3.395 0.864 1.00 0.21 H new ATOM 0 HA ALA A 176 6.312 1.928 2.546 1.00 0.21 H new ATOM 0 HB1 ALA A 176 5.447 -0.021 1.289 1.00 0.21 H new ATOM 0 HB2 ALA A 176 4.160 1.153 1.656 1.00 0.21 H new ATOM 0 HB3 ALA A 176 4.852 1.074 0.018 1.00 0.21 H new ATOM 367 N ILE A 177 7.433 1.971 -0.565 1.00 0.18 N ATOM 368 CA ILE A 177 8.623 1.752 -1.376 1.00 0.20 C ATOM 369 C ILE A 177 9.771 2.636 -0.903 1.00 0.21 C ATOM 370 O ILE A 177 10.916 2.192 -0.820 1.00 0.23 O ATOM 371 CB ILE A 177 8.347 2.029 -2.869 1.00 0.23 C ATOM 372 CG1 ILE A 177 7.227 1.119 -3.377 1.00 0.25 C ATOM 373 CG2 ILE A 177 9.612 1.831 -3.694 1.00 0.27 C ATOM 374 CD1 ILE A 177 6.972 1.250 -4.864 1.00 0.47 C ATOM 0 H ILE A 177 6.625 2.314 -1.085 1.00 0.18 H new ATOM 0 HA ILE A 177 8.902 0.705 -1.261 1.00 0.20 H new ATOM 0 HB ILE A 177 8.029 3.066 -2.976 1.00 0.23 H new ATOM 0 HG12 ILE A 177 7.479 0.083 -3.149 1.00 0.25 H new ATOM 0 HG13 ILE A 177 6.309 1.350 -2.837 1.00 0.25 H new ATOM 0 HG21 ILE A 177 9.397 2.031 -4.744 1.00 0.27 H new ATOM 0 HG22 ILE A 177 10.385 2.516 -3.345 1.00 0.27 H new ATOM 0 HG23 ILE A 177 9.961 0.804 -3.584 1.00 0.27 H new ATOM 0 HD11 ILE A 177 6.166 0.577 -5.156 1.00 0.47 H new ATOM 0 HD12 ILE A 177 6.689 2.277 -5.096 1.00 0.47 H new ATOM 0 HD13 ILE A 177 7.877 0.991 -5.413 1.00 0.47 H new ATOM 386 N GLY A 178 9.456 3.889 -0.594 1.00 0.20 N ATOM 387 CA GLY A 178 10.473 4.812 -0.130 1.00 0.23 C ATOM 388 C GLY A 178 11.218 4.284 1.079 1.00 0.22 C ATOM 389 O GLY A 178 12.446 4.359 1.142 1.00 0.23 O ATOM 0 H GLY A 178 8.516 4.281 -0.657 1.00 0.20 H new ATOM 0 HA2 GLY A 178 11.182 5.004 -0.936 1.00 0.23 H new ATOM 0 HA3 GLY A 178 10.008 5.766 0.120 1.00 0.23 H new ATOM 393 N LEU A 179 10.475 3.746 2.041 1.00 0.21 N ATOM 394 CA LEU A 179 11.074 3.200 3.253 1.00 0.23 C ATOM 395 C LEU A 179 11.997 2.032 2.922 1.00 0.21 C ATOM 396 O LEU A 179 13.121 1.957 3.418 1.00 0.24 O ATOM 397 CB LEU A 179 9.986 2.741 4.226 1.00 0.27 C ATOM 398 CG LEU A 179 8.997 3.828 4.652 1.00 0.30 C ATOM 399 CD1 LEU A 179 8.006 3.279 5.666 1.00 0.36 C ATOM 400 CD2 LEU A 179 9.738 5.028 5.222 1.00 0.36 C ATOM 0 H LEU A 179 9.458 3.677 2.005 1.00 0.21 H new ATOM 0 HA LEU A 179 11.663 3.988 3.723 1.00 0.23 H new ATOM 0 HB2 LEU A 179 9.429 1.925 3.766 1.00 0.27 H new ATOM 0 HB3 LEU A 179 10.465 2.337 5.118 1.00 0.27 H new ATOM 0 HG LEU A 179 8.442 4.154 3.772 1.00 0.30 H new ATOM 0 HD11 LEU A 179 7.310 4.066 5.958 1.00 0.36 H new ATOM 0 HD12 LEU A 179 7.452 2.451 5.222 1.00 0.36 H new ATOM 0 HD13 LEU A 179 8.544 2.926 6.546 1.00 0.36 H new ATOM 0 HD21 LEU A 179 9.019 5.791 5.520 1.00 0.36 H new ATOM 0 HD22 LEU A 179 10.319 4.718 6.091 1.00 0.36 H new ATOM 0 HD23 LEU A 179 10.407 5.436 4.465 1.00 0.36 H new ATOM 412 N GLY A 180 11.514 1.122 2.083 1.00 0.20 N ATOM 413 CA GLY A 180 12.311 -0.031 1.704 1.00 0.23 C ATOM 414 C GLY A 180 13.633 0.361 1.075 1.00 0.24 C ATOM 415 O GLY A 180 14.693 -0.099 1.503 1.00 0.28 O ATOM 0 H GLY A 180 10.587 1.161 1.659 1.00 0.20 H new ATOM 0 HA2 GLY A 180 12.499 -0.645 2.585 1.00 0.23 H new ATOM 0 HA3 GLY A 180 11.746 -0.645 1.003 1.00 0.23 H new ATOM 419 N ILE A 181 13.574 1.213 0.056 1.00 0.26 N ATOM 420 CA ILE A 181 14.777 1.667 -0.631 1.00 0.32 C ATOM 421 C ILE A 181 15.694 2.439 0.313 1.00 0.33 C ATOM 422 O ILE A 181 16.908 2.237 0.317 1.00 0.34 O ATOM 423 CB ILE A 181 14.432 2.555 -1.844 1.00 0.41 C ATOM 424 CG1 ILE A 181 13.529 1.795 -2.818 1.00 0.47 C ATOM 425 CG2 ILE A 181 15.702 3.016 -2.544 1.00 0.52 C ATOM 426 CD1 ILE A 181 13.200 2.579 -4.070 1.00 0.90 C ATOM 0 H ILE A 181 12.706 1.602 -0.312 1.00 0.26 H new ATOM 0 HA ILE A 181 15.296 0.775 -0.982 1.00 0.32 H new ATOM 0 HB ILE A 181 13.896 3.435 -1.489 1.00 0.41 H new ATOM 0 HG12 ILE A 181 14.016 0.862 -3.100 1.00 0.47 H new ATOM 0 HG13 ILE A 181 12.602 1.530 -2.310 1.00 0.47 H new ATOM 0 HG21 ILE A 181 15.440 3.641 -3.398 1.00 0.52 H new ATOM 0 HG22 ILE A 181 16.314 3.590 -1.848 1.00 0.52 H new ATOM 0 HG23 ILE A 181 16.263 2.147 -2.889 1.00 0.52 H new ATOM 0 HD11 ILE A 181 12.557 1.981 -4.715 1.00 0.90 H new ATOM 0 HD12 ILE A 181 12.685 3.500 -3.798 1.00 0.90 H new ATOM 0 HD13 ILE A 181 14.121 2.822 -4.600 1.00 0.90 H new ATOM 438 N TYR A 182 15.107 3.324 1.113 1.00 0.35 N ATOM 439 CA TYR A 182 15.875 4.123 2.061 1.00 0.42 C ATOM 440 C TYR A 182 16.746 3.229 2.937 1.00 0.40 C ATOM 441 O TYR A 182 17.947 3.454 3.072 1.00 0.46 O ATOM 442 CB TYR A 182 14.940 4.959 2.935 1.00 0.49 C ATOM 443 CG TYR A 182 15.665 5.920 3.852 1.00 0.62 C ATOM 444 CD1 TYR A 182 16.091 7.159 3.392 1.00 1.34 C ATOM 445 CD2 TYR A 182 15.920 5.588 5.177 1.00 1.16 C ATOM 446 CE1 TYR A 182 16.752 8.042 4.225 1.00 1.44 C ATOM 447 CE2 TYR A 182 16.581 6.465 6.017 1.00 1.25 C ATOM 448 CZ TYR A 182 16.993 7.690 5.536 1.00 0.93 C ATOM 449 OH TYR A 182 17.651 8.566 6.369 1.00 1.09 O ATOM 0 H TYR A 182 14.103 3.506 1.124 1.00 0.35 H new ATOM 0 HA TYR A 182 16.522 4.793 1.495 1.00 0.42 H new ATOM 0 HB2 TYR A 182 14.264 5.523 2.293 1.00 0.49 H new ATOM 0 HB3 TYR A 182 14.324 4.290 3.537 1.00 0.49 H new ATOM 0 HD1 TYR A 182 15.903 7.438 2.366 1.00 1.34 H new ATOM 0 HD2 TYR A 182 15.597 4.630 5.557 1.00 1.16 H new ATOM 0 HE1 TYR A 182 17.078 9.002 3.851 1.00 1.44 H new ATOM 0 HE2 TYR A 182 16.774 6.192 7.044 1.00 1.25 H new ATOM 0 HH TYR A 182 17.346 8.433 7.291 1.00 1.09 H new ATOM 459 N ILE A 183 16.128 2.223 3.542 1.00 0.36 N ATOM 460 CA ILE A 183 16.848 1.291 4.400 1.00 0.42 C ATOM 461 C ILE A 183 17.905 0.521 3.612 1.00 0.41 C ATOM 462 O ILE A 183 19.052 0.401 4.043 1.00 0.46 O ATOM 463 CB ILE A 183 15.886 0.290 5.070 1.00 0.47 C ATOM 464 CG1 ILE A 183 14.821 1.037 5.877 1.00 0.56 C ATOM 465 CG2 ILE A 183 16.656 -0.672 5.962 1.00 0.58 C ATOM 466 CD1 ILE A 183 13.749 0.133 6.447 1.00 0.80 C ATOM 0 H ILE A 183 15.130 2.031 3.455 1.00 0.36 H new ATOM 0 HA ILE A 183 17.339 1.883 5.172 1.00 0.42 H new ATOM 0 HB ILE A 183 15.388 -0.289 4.292 1.00 0.47 H new ATOM 0 HG12 ILE A 183 15.305 1.573 6.694 1.00 0.56 H new ATOM 0 HG13 ILE A 183 14.352 1.786 5.239 1.00 0.56 H new ATOM 0 HG21 ILE A 183 15.962 -1.372 6.427 1.00 0.58 H new ATOM 0 HG22 ILE A 183 17.380 -1.224 5.362 1.00 0.58 H new ATOM 0 HG23 ILE A 183 17.179 -0.111 6.736 1.00 0.58 H new ATOM 0 HD11 ILE A 183 13.029 0.730 7.006 1.00 0.80 H new ATOM 0 HD12 ILE A 183 13.239 -0.384 5.634 1.00 0.80 H new ATOM 0 HD13 ILE A 183 14.207 -0.600 7.112 1.00 0.80 H new ATOM 478 N GLY A 184 17.508 0.002 2.454 1.00 0.39 N ATOM 479 CA GLY A 184 18.423 -0.759 1.621 1.00 0.46 C ATOM 480 C GLY A 184 19.609 0.051 1.128 1.00 0.50 C ATOM 481 O GLY A 184 20.758 -0.359 1.293 1.00 0.55 O ATOM 0 H GLY A 184 16.565 0.095 2.076 1.00 0.39 H new ATOM 0 HA2 GLY A 184 18.788 -1.617 2.186 1.00 0.46 H new ATOM 0 HA3 GLY A 184 17.879 -1.152 0.762 1.00 0.46 H new ATOM 485 N ARG A 185 19.338 1.201 0.520 1.00 0.53 N ATOM 486 CA ARG A 185 20.403 2.052 -0.004 1.00 0.65 C ATOM 487 C ARG A 185 21.406 2.421 1.088 1.00 0.67 C ATOM 488 O ARG A 185 22.538 2.805 0.795 1.00 0.76 O ATOM 489 CB ARG A 185 19.823 3.323 -0.628 1.00 0.76 C ATOM 490 CG ARG A 185 19.155 4.245 0.374 1.00 0.72 C ATOM 491 CD ARG A 185 19.829 5.607 0.415 1.00 0.81 C ATOM 492 NE ARG A 185 19.943 6.203 -0.913 1.00 1.27 N ATOM 493 CZ ARG A 185 20.584 7.342 -1.157 1.00 1.59 C ATOM 494 NH1 ARG A 185 21.169 8.002 -0.166 1.00 1.66 N ATOM 495 NH2 ARG A 185 20.644 7.820 -2.393 1.00 2.24 N ATOM 0 H ARG A 185 18.396 1.565 0.378 1.00 0.53 H new ATOM 0 HA ARG A 185 20.926 1.485 -0.774 1.00 0.65 H new ATOM 0 HB2 ARG A 185 20.622 3.867 -1.132 1.00 0.76 H new ATOM 0 HB3 ARG A 185 19.097 3.043 -1.391 1.00 0.76 H new ATOM 0 HG2 ARG A 185 18.104 4.366 0.114 1.00 0.72 H new ATOM 0 HG3 ARG A 185 19.188 3.792 1.365 1.00 0.72 H new ATOM 0 HD2 ARG A 185 19.260 6.273 1.063 1.00 0.81 H new ATOM 0 HD3 ARG A 185 20.822 5.507 0.853 1.00 0.81 H new ATOM 0 HE ARG A 185 19.507 5.719 -1.697 1.00 1.27 H new ATOM 0 HH11 ARG A 185 21.128 7.636 0.785 1.00 1.66 H new ATOM 0 HH12 ARG A 185 21.660 8.876 -0.355 1.00 1.66 H new ATOM 0 HH21 ARG A 185 20.198 7.314 -3.158 1.00 2.24 H new ATOM 0 HH22 ARG A 185 21.136 8.694 -2.578 1.00 2.24 H new ATOM 509 N ARG A 186 20.989 2.304 2.346 1.00 0.63 N ATOM 510 CA ARG A 186 21.861 2.631 3.468 1.00 0.73 C ATOM 511 C ARG A 186 22.262 1.373 4.235 1.00 0.74 C ATOM 512 O ARG A 186 22.259 1.359 5.466 1.00 0.86 O ATOM 513 CB ARG A 186 21.170 3.618 4.412 1.00 0.81 C ATOM 514 CG ARG A 186 20.702 4.893 3.726 1.00 1.80 C ATOM 515 CD ARG A 186 20.184 5.907 4.733 1.00 2.20 C ATOM 516 NE ARG A 186 21.251 6.429 5.583 1.00 2.90 N ATOM 517 CZ ARG A 186 21.038 7.072 6.727 1.00 3.61 C ATOM 518 NH1 ARG A 186 19.800 7.259 7.163 1.00 3.86 N ATOM 519 NH2 ARG A 186 22.061 7.526 7.436 1.00 4.48 N ATOM 0 H ARG A 186 20.057 1.987 2.612 1.00 0.63 H new ATOM 0 HA ARG A 186 22.763 3.093 3.067 1.00 0.73 H new ATOM 0 HB2 ARG A 186 20.312 3.127 4.872 1.00 0.81 H new ATOM 0 HB3 ARG A 186 21.857 3.880 5.217 1.00 0.81 H new ATOM 0 HG2 ARG A 186 21.527 5.328 3.161 1.00 1.80 H new ATOM 0 HG3 ARG A 186 19.916 4.655 3.010 1.00 1.80 H new ATOM 0 HD2 ARG A 186 19.706 6.731 4.204 1.00 2.20 H new ATOM 0 HD3 ARG A 186 19.420 5.442 5.355 1.00 2.20 H new ATOM 0 HE ARG A 186 22.216 6.292 5.281 1.00 2.90 H new ATOM 0 HH11 ARG A 186 19.010 6.909 6.621 1.00 3.86 H new ATOM 0 HH12 ARG A 186 19.638 7.752 8.041 1.00 3.86 H new ATOM 0 HH21 ARG A 186 23.015 7.383 7.104 1.00 4.48 H new ATOM 0 HH22 ARG A 186 21.895 8.019 8.313 1.00 4.48 H new ATOM 533 N LEU A 187 22.607 0.319 3.502 1.00 0.73 N ATOM 534 CA LEU A 187 23.015 -0.938 4.119 1.00 0.84 C ATOM 535 C LEU A 187 24.429 -0.836 4.684 1.00 1.03 C ATOM 536 O LEU A 187 24.737 -1.422 5.722 1.00 1.21 O ATOM 537 CB LEU A 187 22.945 -2.081 3.102 1.00 0.83 C ATOM 538 CG LEU A 187 21.576 -2.750 2.966 1.00 0.78 C ATOM 539 CD1 LEU A 187 21.597 -3.784 1.852 1.00 0.90 C ATOM 540 CD2 LEU A 187 21.165 -3.394 4.283 1.00 0.98 C ATOM 0 H LEU A 187 22.612 0.310 2.482 1.00 0.73 H new ATOM 0 HA LEU A 187 22.328 -1.147 4.939 1.00 0.84 H new ATOM 0 HB2 LEU A 187 23.242 -1.696 2.126 1.00 0.83 H new ATOM 0 HB3 LEU A 187 23.676 -2.840 3.381 1.00 0.83 H new ATOM 0 HG LEU A 187 20.842 -1.985 2.712 1.00 0.78 H new ATOM 0 HD11 LEU A 187 20.615 -4.250 1.769 1.00 0.90 H new ATOM 0 HD12 LEU A 187 21.849 -3.298 0.909 1.00 0.90 H new ATOM 0 HD13 LEU A 187 22.343 -4.547 2.077 1.00 0.90 H new ATOM 0 HD21 LEU A 187 20.189 -3.865 4.169 1.00 0.98 H new ATOM 0 HD22 LEU A 187 21.901 -4.147 4.565 1.00 0.98 H new ATOM 0 HD23 LEU A 187 21.111 -2.631 5.060 1.00 0.98 H new ATOM 789 N SER B 168 -6.153 -7.320 0.779 1.00 0.84 N ATOM 790 CA SER B 168 -5.105 -7.167 -0.223 1.00 0.77 C ATOM 791 C SER B 168 -4.311 -5.889 0.025 1.00 0.60 C ATOM 792 O SER B 168 -3.086 -5.875 -0.085 1.00 0.54 O ATOM 793 CB SER B 168 -5.709 -7.140 -1.627 1.00 0.90 C ATOM 794 OG SER B 168 -4.702 -6.988 -2.614 1.00 1.54 O ATOM 0 HA SER B 168 -4.431 -8.020 -0.145 1.00 0.77 H new ATOM 0 HB2 SER B 168 -6.262 -8.062 -1.806 1.00 0.90 H new ATOM 0 HB3 SER B 168 -6.424 -6.320 -1.703 1.00 0.90 H new ATOM 0 HG SER B 168 -5.114 -6.975 -3.503 1.00 1.54 H new ATOM 800 N LEU B 169 -5.022 -4.818 0.360 1.00 0.60 N ATOM 801 CA LEU B 169 -4.390 -3.531 0.627 1.00 0.52 C ATOM 802 C LEU B 169 -3.280 -3.682 1.663 1.00 0.44 C ATOM 803 O LEU B 169 -2.202 -3.105 1.519 1.00 0.37 O ATOM 804 CB LEU B 169 -5.430 -2.524 1.116 1.00 0.63 C ATOM 805 CG LEU B 169 -6.627 -2.326 0.186 1.00 0.72 C ATOM 806 CD1 LEU B 169 -7.582 -1.290 0.757 1.00 0.86 C ATOM 807 CD2 LEU B 169 -6.159 -1.917 -1.203 1.00 0.76 C ATOM 0 H LEU B 169 -6.038 -4.816 0.453 1.00 0.60 H new ATOM 0 HA LEU B 169 -3.951 -3.164 -0.301 1.00 0.52 H new ATOM 0 HB2 LEU B 169 -5.796 -2.847 2.090 1.00 0.63 H new ATOM 0 HB3 LEU B 169 -4.940 -1.561 1.263 1.00 0.63 H new ATOM 0 HG LEU B 169 -7.161 -3.273 0.104 1.00 0.72 H new ATOM 0 HD11 LEU B 169 -8.428 -1.163 0.081 1.00 0.86 H new ATOM 0 HD12 LEU B 169 -7.942 -1.624 1.730 1.00 0.86 H new ATOM 0 HD13 LEU B 169 -7.062 -0.339 0.870 1.00 0.86 H new ATOM 0 HD21 LEU B 169 -7.024 -1.780 -1.853 1.00 0.76 H new ATOM 0 HD22 LEU B 169 -5.602 -0.982 -1.139 1.00 0.76 H new ATOM 0 HD23 LEU B 169 -5.516 -2.695 -1.614 1.00 0.76 H new ATOM 819 N LEU B 170 -3.553 -4.460 2.706 1.00 0.51 N ATOM 820 CA LEU B 170 -2.572 -4.688 3.761 1.00 0.52 C ATOM 821 C LEU B 170 -1.335 -5.379 3.202 1.00 0.44 C ATOM 822 O LEU B 170 -0.209 -4.919 3.397 1.00 0.40 O ATOM 823 CB LEU B 170 -3.178 -5.535 4.885 1.00 0.67 C ATOM 824 CG LEU B 170 -4.211 -4.822 5.761 1.00 0.80 C ATOM 825 CD1 LEU B 170 -5.456 -4.477 4.957 1.00 0.86 C ATOM 826 CD2 LEU B 170 -4.572 -5.681 6.963 1.00 0.93 C ATOM 0 H LEU B 170 -4.442 -4.941 2.843 1.00 0.51 H new ATOM 0 HA LEU B 170 -2.280 -3.720 4.167 1.00 0.52 H new ATOM 0 HB2 LEU B 170 -3.647 -6.414 4.442 1.00 0.67 H new ATOM 0 HB3 LEU B 170 -2.370 -5.892 5.523 1.00 0.67 H new ATOM 0 HG LEU B 170 -3.771 -3.892 6.120 1.00 0.80 H new ATOM 0 HD11 LEU B 170 -6.176 -3.971 5.600 1.00 0.86 H new ATOM 0 HD12 LEU B 170 -5.185 -3.821 4.130 1.00 0.86 H new ATOM 0 HD13 LEU B 170 -5.900 -5.391 4.564 1.00 0.86 H new ATOM 0 HD21 LEU B 170 -5.307 -5.159 7.575 1.00 0.93 H new ATOM 0 HD22 LEU B 170 -4.990 -6.628 6.621 1.00 0.93 H new ATOM 0 HD23 LEU B 170 -3.677 -5.873 7.555 1.00 0.93 H new ATOM 838 N LEU B 171 -1.555 -6.485 2.500 1.00 0.45 N ATOM 839 CA LEU B 171 -0.464 -7.242 1.901 1.00 0.45 C ATOM 840 C LEU B 171 0.321 -6.372 0.928 1.00 0.37 C ATOM 841 O LEU B 171 1.551 -6.418 0.890 1.00 0.38 O ATOM 842 CB LEU B 171 -1.010 -8.476 1.179 1.00 0.54 C ATOM 843 CG LEU B 171 -1.849 -9.416 2.046 1.00 0.65 C ATOM 844 CD1 LEU B 171 -2.384 -10.574 1.217 1.00 0.74 C ATOM 845 CD2 LEU B 171 -1.030 -9.934 3.218 1.00 0.74 C ATOM 0 H LEU B 171 -2.481 -6.877 2.332 1.00 0.45 H new ATOM 0 HA LEU B 171 0.207 -7.566 2.696 1.00 0.45 H new ATOM 0 HB2 LEU B 171 -1.617 -8.146 0.336 1.00 0.54 H new ATOM 0 HB3 LEU B 171 -0.171 -9.038 0.767 1.00 0.54 H new ATOM 0 HG LEU B 171 -2.697 -8.855 2.439 1.00 0.65 H new ATOM 0 HD11 LEU B 171 -2.978 -11.232 1.851 1.00 0.74 H new ATOM 0 HD12 LEU B 171 -3.007 -10.187 0.411 1.00 0.74 H new ATOM 0 HD13 LEU B 171 -1.550 -11.134 0.794 1.00 0.74 H new ATOM 0 HD21 LEU B 171 -1.643 -10.601 3.824 1.00 0.74 H new ATOM 0 HD22 LEU B 171 -0.163 -10.478 2.844 1.00 0.74 H new ATOM 0 HD23 LEU B 171 -0.696 -9.095 3.828 1.00 0.74 H new ATOM 857 N SER B 172 -0.399 -5.579 0.139 1.00 0.32 N ATOM 858 CA SER B 172 0.229 -4.694 -0.834 1.00 0.31 C ATOM 859 C SER B 172 1.261 -3.794 -0.163 1.00 0.26 C ATOM 860 O SER B 172 2.383 -3.649 -0.648 1.00 0.30 O ATOM 861 CB SER B 172 -0.831 -3.842 -1.536 1.00 0.33 C ATOM 862 OG SER B 172 -1.797 -4.656 -2.179 1.00 0.40 O ATOM 0 H SER B 172 -1.418 -5.532 0.155 1.00 0.32 H new ATOM 0 HA SER B 172 0.739 -5.310 -1.575 1.00 0.31 H new ATOM 0 HB2 SER B 172 -1.322 -3.195 -0.809 1.00 0.33 H new ATOM 0 HB3 SER B 172 -0.353 -3.192 -2.269 1.00 0.33 H new ATOM 0 HG SER B 172 -2.348 -5.105 -1.504 1.00 0.40 H new ATOM 868 N HIS B 173 0.874 -3.191 0.958 1.00 0.22 N ATOM 869 CA HIS B 173 1.770 -2.308 1.698 1.00 0.23 C ATOM 870 C HIS B 173 3.015 -3.060 2.150 1.00 0.23 C ATOM 871 O HIS B 173 4.136 -2.572 2.003 1.00 0.25 O ATOM 872 CB HIS B 173 1.052 -1.713 2.912 1.00 0.28 C ATOM 873 CG HIS B 173 -0.117 -0.850 2.552 1.00 0.28 C ATOM 874 ND1 HIS B 173 -1.407 -1.123 2.956 1.00 0.34 N ATOM 875 CD2 HIS B 173 -0.187 0.291 1.826 1.00 0.36 C ATOM 876 CE1 HIS B 173 -2.219 -0.189 2.494 1.00 0.35 C ATOM 877 NE2 HIS B 173 -1.504 0.681 1.806 1.00 0.36 N ATOM 0 H HIS B 173 -0.052 -3.297 1.373 1.00 0.22 H new ATOM 0 HA HIS B 173 2.073 -1.499 1.034 1.00 0.23 H new ATOM 0 HB2 HIS B 173 0.710 -2.524 3.555 1.00 0.28 H new ATOM 0 HB3 HIS B 173 1.763 -1.124 3.492 1.00 0.28 H new ATOM 0 HD2 HIS B 173 0.639 0.800 1.351 1.00 0.36 H new ATOM 0 HE1 HIS B 173 -3.286 -0.145 2.652 1.00 0.35 H new ATOM 0 HE2 HIS B 173 -1.870 1.509 1.336 1.00 0.36 H new ATOM 886 N LEU B 174 2.810 -4.251 2.704 1.00 0.24 N ATOM 887 CA LEU B 174 3.917 -5.075 3.173 1.00 0.27 C ATOM 888 C LEU B 174 4.898 -5.354 2.039 1.00 0.23 C ATOM 889 O LEU B 174 6.106 -5.163 2.189 1.00 0.24 O ATOM 890 CB LEU B 174 3.392 -6.395 3.744 1.00 0.33 C ATOM 891 CG LEU B 174 2.436 -6.257 4.930 1.00 0.40 C ATOM 892 CD1 LEU B 174 2.012 -7.628 5.434 1.00 0.48 C ATOM 893 CD2 LEU B 174 3.084 -5.453 6.047 1.00 0.47 C ATOM 0 H LEU B 174 1.888 -4.666 2.839 1.00 0.24 H new ATOM 0 HA LEU B 174 4.439 -4.530 3.960 1.00 0.27 H new ATOM 0 HB2 LEU B 174 2.883 -6.939 2.949 1.00 0.33 H new ATOM 0 HB3 LEU B 174 4.243 -7.003 4.052 1.00 0.33 H new ATOM 0 HG LEU B 174 1.546 -5.723 4.596 1.00 0.40 H new ATOM 0 HD11 LEU B 174 1.332 -7.511 6.278 1.00 0.48 H new ATOM 0 HD12 LEU B 174 1.508 -8.170 4.634 1.00 0.48 H new ATOM 0 HD13 LEU B 174 2.892 -8.187 5.752 1.00 0.48 H new ATOM 0 HD21 LEU B 174 2.389 -5.365 6.882 1.00 0.47 H new ATOM 0 HD22 LEU B 174 3.990 -5.958 6.380 1.00 0.47 H new ATOM 0 HD23 LEU B 174 3.337 -4.459 5.680 1.00 0.47 H new ATOM 905 N LEU B 175 4.369 -5.806 0.907 1.00 0.22 N ATOM 906 CA LEU B 175 5.195 -6.111 -0.256 1.00 0.23 C ATOM 907 C LEU B 175 5.916 -4.863 -0.754 1.00 0.21 C ATOM 908 O LEU B 175 7.096 -4.913 -1.101 1.00 0.23 O ATOM 909 CB LEU B 175 4.336 -6.700 -1.377 1.00 0.27 C ATOM 910 CG LEU B 175 3.623 -8.006 -1.025 1.00 0.32 C ATOM 911 CD1 LEU B 175 2.801 -8.502 -2.205 1.00 0.38 C ATOM 912 CD2 LEU B 175 4.629 -9.061 -0.593 1.00 0.38 C ATOM 0 H LEU B 175 3.372 -5.969 0.770 1.00 0.22 H new ATOM 0 HA LEU B 175 5.943 -6.845 0.043 1.00 0.23 H new ATOM 0 HB2 LEU B 175 3.588 -5.962 -1.668 1.00 0.27 H new ATOM 0 HB3 LEU B 175 4.969 -6.872 -2.247 1.00 0.27 H new ATOM 0 HG LEU B 175 2.945 -7.815 -0.193 1.00 0.32 H new ATOM 0 HD11 LEU B 175 2.301 -9.432 -1.935 1.00 0.38 H new ATOM 0 HD12 LEU B 175 2.055 -7.753 -2.469 1.00 0.38 H new ATOM 0 HD13 LEU B 175 3.457 -8.677 -3.058 1.00 0.38 H new ATOM 0 HD21 LEU B 175 4.105 -9.984 -0.346 1.00 0.38 H new ATOM 0 HD22 LEU B 175 5.331 -9.249 -1.405 1.00 0.38 H new ATOM 0 HD23 LEU B 175 5.173 -8.708 0.283 1.00 0.38 H new ATOM 924 N ALA B 176 5.201 -3.742 -0.783 1.00 0.21 N ATOM 925 CA ALA B 176 5.777 -2.484 -1.240 1.00 0.23 C ATOM 926 C ALA B 176 7.083 -2.184 -0.513 1.00 0.22 C ATOM 927 O ALA B 176 8.108 -1.919 -1.141 1.00 0.24 O ATOM 928 CB ALA B 176 4.785 -1.348 -1.041 1.00 0.26 C ATOM 0 H ALA B 176 4.224 -3.680 -0.496 1.00 0.21 H new ATOM 0 HA ALA B 176 5.997 -2.577 -2.304 1.00 0.23 H new ATOM 0 HB1 ALA B 176 5.228 -0.414 -1.386 1.00 0.26 H new ATOM 0 HB2 ALA B 176 3.879 -1.553 -1.611 1.00 0.26 H new ATOM 0 HB3 ALA B 176 4.537 -1.263 0.017 1.00 0.26 H new ATOM 934 N ILE B 177 7.039 -2.232 0.815 1.00 0.20 N ATOM 935 CA ILE B 177 8.222 -1.969 1.625 1.00 0.21 C ATOM 936 C ILE B 177 9.333 -2.957 1.292 1.00 0.21 C ATOM 937 O ILE B 177 10.488 -2.571 1.099 1.00 0.22 O ATOM 938 CB ILE B 177 7.907 -2.053 3.131 1.00 0.22 C ATOM 939 CG1 ILE B 177 6.707 -1.168 3.475 1.00 0.24 C ATOM 940 CG2 ILE B 177 9.123 -1.645 3.948 1.00 0.25 C ATOM 941 CD1 ILE B 177 6.352 -1.170 4.946 1.00 0.29 C ATOM 0 H ILE B 177 6.199 -2.450 1.351 1.00 0.20 H new ATOM 0 HA ILE B 177 8.551 -0.956 1.392 1.00 0.21 H new ATOM 0 HB ILE B 177 7.655 -3.085 3.377 1.00 0.22 H new ATOM 0 HG12 ILE B 177 6.919 -0.145 3.163 1.00 0.24 H new ATOM 0 HG13 ILE B 177 5.843 -1.503 2.901 1.00 0.24 H new ATOM 0 HG21 ILE B 177 8.886 -1.709 5.010 1.00 0.25 H new ATOM 0 HG22 ILE B 177 9.954 -2.312 3.721 1.00 0.25 H new ATOM 0 HG23 ILE B 177 9.401 -0.621 3.700 1.00 0.25 H new ATOM 0 HD11 ILE B 177 5.493 -0.521 5.114 1.00 0.29 H new ATOM 0 HD12 ILE B 177 6.107 -2.185 5.260 1.00 0.29 H new ATOM 0 HD13 ILE B 177 7.200 -0.806 5.526 1.00 0.29 H new ATOM 953 N GLY B 178 8.975 -4.236 1.222 1.00 0.21 N ATOM 954 CA GLY B 178 9.951 -5.259 0.902 1.00 0.23 C ATOM 955 C GLY B 178 10.657 -4.980 -0.409 1.00 0.23 C ATOM 956 O GLY B 178 11.878 -5.100 -0.504 1.00 0.26 O ATOM 0 H GLY B 178 8.028 -4.580 1.381 1.00 0.21 H new ATOM 0 HA2 GLY B 178 10.687 -5.321 1.704 1.00 0.23 H new ATOM 0 HA3 GLY B 178 9.456 -6.228 0.848 1.00 0.23 H new ATOM 960 N LEU B 179 9.883 -4.605 -1.424 1.00 0.21 N ATOM 961 CA LEU B 179 10.440 -4.297 -2.735 1.00 0.23 C ATOM 962 C LEU B 179 11.518 -3.226 -2.618 1.00 0.24 C ATOM 963 O LEU B 179 12.628 -3.389 -3.123 1.00 0.28 O ATOM 964 CB LEU B 179 9.339 -3.826 -3.687 1.00 0.25 C ATOM 965 CG LEU B 179 8.297 -4.887 -4.048 1.00 0.27 C ATOM 966 CD1 LEU B 179 7.255 -4.308 -4.993 1.00 0.34 C ATOM 967 CD2 LEU B 179 8.969 -6.100 -4.673 1.00 0.33 C ATOM 0 H LEU B 179 8.870 -4.508 -1.363 1.00 0.21 H new ATOM 0 HA LEU B 179 10.888 -5.205 -3.137 1.00 0.23 H new ATOM 0 HB2 LEU B 179 8.828 -2.976 -3.235 1.00 0.25 H new ATOM 0 HB3 LEU B 179 9.803 -3.467 -4.606 1.00 0.25 H new ATOM 0 HG LEU B 179 7.795 -5.204 -3.134 1.00 0.27 H new ATOM 0 HD11 LEU B 179 6.521 -5.075 -5.240 1.00 0.34 H new ATOM 0 HD12 LEU B 179 6.754 -3.468 -4.512 1.00 0.34 H new ATOM 0 HD13 LEU B 179 7.742 -3.965 -5.906 1.00 0.34 H new ATOM 0 HD21 LEU B 179 8.214 -6.845 -4.924 1.00 0.33 H new ATOM 0 HD22 LEU B 179 9.496 -5.798 -5.578 1.00 0.33 H new ATOM 0 HD23 LEU B 179 9.679 -6.527 -3.965 1.00 0.33 H new ATOM 979 N GLY B 180 11.182 -2.129 -1.945 1.00 0.23 N ATOM 980 CA GLY B 180 12.136 -1.051 -1.769 1.00 0.27 C ATOM 981 C GLY B 180 13.457 -1.546 -1.213 1.00 0.29 C ATOM 982 O GLY B 180 14.523 -1.164 -1.695 1.00 0.34 O ATOM 0 H GLY B 180 10.269 -1.969 -1.520 1.00 0.23 H new ATOM 0 HA2 GLY B 180 12.307 -0.559 -2.726 1.00 0.27 H new ATOM 0 HA3 GLY B 180 11.717 -0.303 -1.096 1.00 0.27 H new ATOM 986 N ILE B 181 13.384 -2.396 -0.194 1.00 0.27 N ATOM 987 CA ILE B 181 14.581 -2.952 0.424 1.00 0.32 C ATOM 988 C ILE B 181 15.375 -3.780 -0.581 1.00 0.37 C ATOM 989 O ILE B 181 16.576 -3.575 -0.763 1.00 0.44 O ATOM 990 CB ILE B 181 14.228 -3.844 1.629 1.00 0.34 C ATOM 991 CG1 ILE B 181 13.390 -3.064 2.643 1.00 0.32 C ATOM 992 CG2 ILE B 181 15.493 -4.380 2.279 1.00 0.42 C ATOM 993 CD1 ILE B 181 12.880 -3.918 3.782 1.00 0.67 C ATOM 0 H ILE B 181 12.508 -2.714 0.221 1.00 0.27 H new ATOM 0 HA ILE B 181 15.183 -2.110 0.766 1.00 0.32 H new ATOM 0 HB ILE B 181 13.638 -4.690 1.275 1.00 0.34 H new ATOM 0 HG12 ILE B 181 13.990 -2.249 3.049 1.00 0.32 H new ATOM 0 HG13 ILE B 181 12.542 -2.610 2.130 1.00 0.32 H new ATOM 0 HG21 ILE B 181 15.227 -5.008 3.129 1.00 0.42 H new ATOM 0 HG22 ILE B 181 16.053 -4.969 1.553 1.00 0.42 H new ATOM 0 HG23 ILE B 181 16.107 -3.547 2.622 1.00 0.42 H new ATOM 0 HD11 ILE B 181 12.294 -3.302 4.464 1.00 0.67 H new ATOM 0 HD12 ILE B 181 12.254 -4.717 3.385 1.00 0.67 H new ATOM 0 HD13 ILE B 181 13.724 -4.351 4.319 1.00 0.67 H new ATOM 1005 N TYR B 182 14.692 -4.716 -1.228 1.00 0.36 N ATOM 1006 CA TYR B 182 15.322 -5.584 -2.216 1.00 0.42 C ATOM 1007 C TYR B 182 15.921 -4.772 -3.362 1.00 0.45 C ATOM 1008 O TYR B 182 17.085 -4.946 -3.716 1.00 0.51 O ATOM 1009 CB TYR B 182 14.302 -6.585 -2.763 1.00 0.46 C ATOM 1010 CG TYR B 182 14.926 -7.748 -3.501 1.00 0.58 C ATOM 1011 CD1 TYR B 182 15.311 -7.629 -4.830 1.00 1.20 C ATOM 1012 CD2 TYR B 182 15.129 -8.966 -2.866 1.00 1.48 C ATOM 1013 CE1 TYR B 182 15.882 -8.692 -5.505 1.00 1.25 C ATOM 1014 CE2 TYR B 182 15.700 -10.033 -3.532 1.00 1.56 C ATOM 1015 CZ TYR B 182 16.074 -9.891 -4.851 1.00 0.83 C ATOM 1016 OH TYR B 182 16.643 -10.951 -5.519 1.00 0.97 O ATOM 0 H TYR B 182 13.698 -4.894 -1.086 1.00 0.36 H new ATOM 0 HA TYR B 182 16.130 -6.125 -1.724 1.00 0.42 H new ATOM 0 HB2 TYR B 182 13.704 -6.969 -1.936 1.00 0.46 H new ATOM 0 HB3 TYR B 182 13.619 -6.064 -3.435 1.00 0.46 H new ATOM 0 HD1 TYR B 182 15.162 -6.691 -5.344 1.00 1.20 H new ATOM 0 HD2 TYR B 182 14.835 -9.081 -1.833 1.00 1.48 H new ATOM 0 HE1 TYR B 182 16.176 -8.584 -6.539 1.00 1.25 H new ATOM 0 HE2 TYR B 182 15.852 -10.973 -3.022 1.00 1.56 H new ATOM 0 HH TYR B 182 16.709 -11.721 -4.916 1.00 0.97 H new ATOM 1026 N ILE B 183 15.113 -3.895 -3.945 1.00 0.44 N ATOM 1027 CA ILE B 183 15.562 -3.056 -5.052 1.00 0.50 C ATOM 1028 C ILE B 183 16.692 -2.121 -4.628 1.00 0.52 C ATOM 1029 O ILE B 183 17.727 -2.040 -5.290 1.00 0.59 O ATOM 1030 CB ILE B 183 14.399 -2.219 -5.623 1.00 0.55 C ATOM 1031 CG1 ILE B 183 13.268 -3.136 -6.093 1.00 0.59 C ATOM 1032 CG2 ILE B 183 14.881 -1.338 -6.767 1.00 0.64 C ATOM 1033 CD1 ILE B 183 12.078 -2.387 -6.649 1.00 0.83 C ATOM 0 H ILE B 183 14.142 -3.745 -3.670 1.00 0.44 H new ATOM 0 HA ILE B 183 15.935 -3.729 -5.824 1.00 0.50 H new ATOM 0 HB ILE B 183 14.018 -1.572 -4.832 1.00 0.55 H new ATOM 0 HG12 ILE B 183 13.652 -3.811 -6.857 1.00 0.59 H new ATOM 0 HG13 ILE B 183 12.940 -3.754 -5.257 1.00 0.59 H new ATOM 0 HG21 ILE B 183 14.045 -0.756 -7.155 1.00 0.64 H new ATOM 0 HG22 ILE B 183 15.656 -0.663 -6.405 1.00 0.64 H new ATOM 0 HG23 ILE B 183 15.288 -1.964 -7.562 1.00 0.64 H new ATOM 0 HD11 ILE B 183 11.314 -3.099 -6.963 1.00 0.83 H new ATOM 0 HD12 ILE B 183 11.669 -1.732 -5.880 1.00 0.83 H new ATOM 0 HD13 ILE B 183 12.392 -1.790 -7.505 1.00 0.83 H new ATOM 1045 N GLY B 184 16.487 -1.416 -3.520 1.00 0.50 N ATOM 1046 CA GLY B 184 17.488 -0.483 -3.032 1.00 0.57 C ATOM 1047 C GLY B 184 18.847 -1.121 -2.812 1.00 0.62 C ATOM 1048 O GLY B 184 19.857 -0.630 -3.315 1.00 0.69 O ATOM 0 H GLY B 184 15.643 -1.474 -2.950 1.00 0.50 H new ATOM 0 HA2 GLY B 184 17.590 0.335 -3.745 1.00 0.57 H new ATOM 0 HA3 GLY B 184 17.143 -0.048 -2.094 1.00 0.57 H new ATOM 1052 N ARG B 185 18.876 -2.217 -2.064 1.00 0.62 N ATOM 1053 CA ARG B 185 20.129 -2.908 -1.774 1.00 0.72 C ATOM 1054 C ARG B 185 20.909 -3.199 -3.052 1.00 0.79 C ATOM 1055 O ARG B 185 22.139 -3.241 -3.043 1.00 0.88 O ATOM 1056 CB ARG B 185 19.856 -4.216 -1.029 1.00 0.77 C ATOM 1057 CG ARG B 185 19.073 -5.228 -1.847 1.00 0.72 C ATOM 1058 CD ARG B 185 19.680 -6.616 -1.746 1.00 1.02 C ATOM 1059 NE ARG B 185 19.996 -6.976 -0.366 1.00 1.43 N ATOM 1060 CZ ARG B 185 20.720 -8.038 -0.030 1.00 2.03 C ATOM 1061 NH1 ARG B 185 21.201 -8.841 -0.967 1.00 2.27 N ATOM 1062 NH2 ARG B 185 20.963 -8.298 1.248 1.00 2.56 N ATOM 0 H ARG B 185 18.050 -2.646 -1.648 1.00 0.62 H new ATOM 0 HA ARG B 185 20.731 -2.252 -1.145 1.00 0.72 H new ATOM 0 HB2 ARG B 185 20.806 -4.659 -0.730 1.00 0.77 H new ATOM 0 HB3 ARG B 185 19.305 -3.996 -0.115 1.00 0.77 H new ATOM 0 HG2 ARG B 185 18.040 -5.256 -1.501 1.00 0.72 H new ATOM 0 HG3 ARG B 185 19.051 -4.915 -2.891 1.00 0.72 H new ATOM 0 HD2 ARG B 185 18.986 -7.346 -2.161 1.00 1.02 H new ATOM 0 HD3 ARG B 185 20.587 -6.660 -2.349 1.00 1.02 H new ATOM 0 HE ARG B 185 19.641 -6.379 0.381 1.00 1.43 H new ATOM 0 HH11 ARG B 185 21.016 -8.645 -1.951 1.00 2.27 H new ATOM 0 HH12 ARG B 185 21.756 -9.655 -0.705 1.00 2.27 H new ATOM 0 HH21 ARG B 185 20.594 -7.682 1.973 1.00 2.56 H new ATOM 0 HH22 ARG B 185 21.519 -9.113 1.506 1.00 2.56 H new