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 180:sc= 0 USER MOD Single : A 172 SER OG : rot 74:sc= 0.431 USER MOD Single : A 173 HIS : no HD1:sc= -0.399 K(o=-0.4,f=-1.3) 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 70:sc= 0.29 USER MOD Single : B 173 HIS : no HE2:sc= -2.01! C(o=-2!,f=-6.8!) USER MOD Single : B 182 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 222 N SER A 168 -5.021 8.207 -1.742 1.00 0.76 N ATOM 223 CA SER A 168 -4.438 7.712 -0.500 1.00 0.70 C ATOM 224 C SER A 168 -3.686 6.408 -0.741 1.00 0.57 C ATOM 225 O SER A 168 -2.596 6.200 -0.208 1.00 0.51 O ATOM 226 CB SER A 168 -5.528 7.500 0.553 1.00 0.82 C ATOM 227 OG SER A 168 -4.975 7.033 1.772 1.00 1.39 O ATOM 0 HA SER A 168 -3.733 8.458 -0.134 1.00 0.70 H new ATOM 0 HB2 SER A 168 -6.058 8.436 0.726 1.00 0.82 H new ATOM 0 HB3 SER A 168 -6.260 6.782 0.184 1.00 0.82 H new ATOM 0 HG SER A 168 -5.691 6.907 2.429 1.00 1.39 H new ATOM 233 N LEU A 169 -4.276 5.532 -1.548 1.00 0.58 N ATOM 234 CA LEU A 169 -3.663 4.248 -1.863 1.00 0.51 C ATOM 235 C LEU A 169 -2.287 4.444 -2.494 1.00 0.41 C ATOM 236 O LEU A 169 -1.311 3.815 -2.085 1.00 0.36 O ATOM 237 CB LEU A 169 -4.562 3.445 -2.805 1.00 0.64 C ATOM 238 CG LEU A 169 -6.004 3.268 -2.327 1.00 0.77 C ATOM 239 CD1 LEU A 169 -6.783 2.390 -3.294 1.00 1.07 C ATOM 240 CD2 LEU A 169 -6.032 2.679 -0.925 1.00 0.81 C ATOM 0 H LEU A 169 -5.179 5.689 -1.996 1.00 0.58 H new ATOM 0 HA LEU A 169 -3.541 3.693 -0.933 1.00 0.51 H new ATOM 0 HB2 LEU A 169 -4.575 3.937 -3.778 1.00 0.64 H new ATOM 0 HB3 LEU A 169 -4.120 2.459 -2.952 1.00 0.64 H new ATOM 0 HG LEU A 169 -6.480 4.248 -2.296 1.00 0.77 H new ATOM 0 HD11 LEU A 169 -7.807 2.275 -2.937 1.00 1.07 H new ATOM 0 HD12 LEU A 169 -6.792 2.854 -4.280 1.00 1.07 H new ATOM 0 HD13 LEU A 169 -6.309 1.410 -3.358 1.00 1.07 H new ATOM 0 HD21 LEU A 169 -7.066 2.560 -0.601 1.00 0.81 H new ATOM 0 HD22 LEU A 169 -5.539 1.707 -0.929 1.00 0.81 H new ATOM 0 HD23 LEU A 169 -5.511 3.347 -0.239 1.00 0.81 H new ATOM 252 N LEU A 170 -2.219 5.321 -3.490 1.00 0.46 N ATOM 253 CA LEU A 170 -0.961 5.600 -4.173 1.00 0.47 C ATOM 254 C LEU A 170 0.061 6.189 -3.204 1.00 0.38 C ATOM 255 O LEU A 170 1.213 5.759 -3.161 1.00 0.39 O ATOM 256 CB LEU A 170 -1.184 6.562 -5.343 1.00 0.60 C ATOM 257 CG LEU A 170 -1.923 5.968 -6.545 1.00 0.73 C ATOM 258 CD1 LEU A 170 -3.360 5.633 -6.183 1.00 0.88 C ATOM 259 CD2 LEU A 170 -1.879 6.928 -7.725 1.00 1.12 C ATOM 0 H LEU A 170 -3.018 5.849 -3.841 1.00 0.46 H new ATOM 0 HA LEU A 170 -0.573 4.658 -4.561 1.00 0.47 H new ATOM 0 HB2 LEU A 170 -1.745 7.424 -4.982 1.00 0.60 H new ATOM 0 HB3 LEU A 170 -0.215 6.931 -5.679 1.00 0.60 H new ATOM 0 HG LEU A 170 -1.421 5.044 -6.832 1.00 0.73 H new ATOM 0 HD11 LEU A 170 -3.866 5.212 -7.052 1.00 0.88 H new ATOM 0 HD12 LEU A 170 -3.371 4.907 -5.370 1.00 0.88 H new ATOM 0 HD13 LEU A 170 -3.876 6.539 -5.866 1.00 0.88 H new ATOM 0 HD21 LEU A 170 -2.409 6.490 -8.571 1.00 1.12 H new ATOM 0 HD22 LEU A 170 -2.354 7.869 -7.447 1.00 1.12 H new ATOM 0 HD23 LEU A 170 -0.842 7.114 -8.004 1.00 1.12 H new ATOM 271 N LEU A 171 -0.372 7.178 -2.428 1.00 0.36 N ATOM 272 CA LEU A 171 0.501 7.827 -1.456 1.00 0.37 C ATOM 273 C LEU A 171 1.140 6.801 -0.526 1.00 0.32 C ATOM 274 O LEU A 171 2.350 6.823 -0.299 1.00 0.35 O ATOM 275 CB LEU A 171 -0.285 8.854 -0.638 1.00 0.44 C ATOM 276 CG LEU A 171 -0.812 10.048 -1.435 1.00 0.54 C ATOM 277 CD1 LEU A 171 -1.697 10.922 -0.562 1.00 0.64 C ATOM 278 CD2 LEU A 171 0.345 10.859 -2.003 1.00 0.62 C ATOM 0 H LEU A 171 -1.322 7.547 -2.454 1.00 0.36 H new ATOM 0 HA LEU A 171 1.294 8.338 -2.003 1.00 0.37 H new ATOM 0 HB2 LEU A 171 -1.129 8.351 -0.165 1.00 0.44 H new ATOM 0 HB3 LEU A 171 0.355 9.225 0.163 1.00 0.44 H new ATOM 0 HG LEU A 171 -1.411 9.673 -2.265 1.00 0.54 H new ATOM 0 HD11 LEU A 171 -2.063 11.767 -1.146 1.00 0.64 H new ATOM 0 HD12 LEU A 171 -2.543 10.337 -0.200 1.00 0.64 H new ATOM 0 HD13 LEU A 171 -1.121 11.290 0.287 1.00 0.64 H new ATOM 0 HD21 LEU A 171 -0.046 11.705 -2.568 1.00 0.62 H new ATOM 0 HD22 LEU A 171 0.968 11.224 -1.187 1.00 0.62 H new ATOM 0 HD23 LEU A 171 0.942 10.229 -2.662 1.00 0.62 H new ATOM 290 N SER A 172 0.320 5.901 0.008 1.00 0.28 N ATOM 291 CA SER A 172 0.808 4.865 0.911 1.00 0.29 C ATOM 292 C SER A 172 1.840 3.984 0.218 1.00 0.25 C ATOM 293 O SER A 172 2.908 3.711 0.766 1.00 0.27 O ATOM 294 CB SER A 172 -0.356 4.009 1.415 1.00 0.35 C ATOM 295 OG SER A 172 -1.309 4.798 2.108 1.00 0.42 O ATOM 0 H SER A 172 -0.684 5.868 -0.169 1.00 0.28 H new ATOM 0 HA SER A 172 1.285 5.353 1.761 1.00 0.29 H new ATOM 0 HB2 SER A 172 -0.836 3.510 0.573 1.00 0.35 H new ATOM 0 HB3 SER A 172 0.022 3.228 2.074 1.00 0.35 H new ATOM 0 HG SER A 172 -1.822 5.331 1.465 1.00 0.42 H new ATOM 301 N HIS A 173 1.515 3.540 -0.993 1.00 0.23 N ATOM 302 CA HIS A 173 2.415 2.691 -1.764 1.00 0.24 C ATOM 303 C HIS A 173 3.754 3.384 -1.990 1.00 0.22 C ATOM 304 O HIS A 173 4.811 2.809 -1.735 1.00 0.24 O ATOM 305 CB HIS A 173 1.781 2.325 -3.107 1.00 0.31 C ATOM 306 CG HIS A 173 0.578 1.446 -2.973 1.00 0.37 C ATOM 307 ND1 HIS A 173 -0.600 1.668 -3.656 1.00 0.42 N ATOM 308 CD2 HIS A 173 0.374 0.333 -2.229 1.00 0.52 C ATOM 309 CE1 HIS A 173 -1.476 0.731 -3.335 1.00 0.48 C ATOM 310 NE2 HIS A 173 -0.909 -0.090 -2.473 1.00 0.53 N ATOM 0 H HIS A 173 0.634 3.755 -1.461 1.00 0.23 H new ATOM 0 HA HIS A 173 2.591 1.778 -1.195 1.00 0.24 H new ATOM 0 HB2 HIS A 173 1.498 3.239 -3.629 1.00 0.31 H new ATOM 0 HB3 HIS A 173 2.523 1.821 -3.726 1.00 0.31 H new ATOM 0 HD2 HIS A 173 1.088 -0.135 -1.567 1.00 0.52 H new ATOM 0 HE1 HIS A 173 -2.484 0.652 -3.714 1.00 0.48 H new ATOM 0 HE2 HIS A 173 -1.352 -0.908 -2.055 1.00 0.53 H new ATOM 319 N LEU A 174 3.702 4.621 -2.471 1.00 0.22 N ATOM 320 CA LEU A 174 4.914 5.390 -2.727 1.00 0.26 C ATOM 321 C LEU A 174 5.801 5.427 -1.487 1.00 0.24 C ATOM 322 O LEU A 174 6.991 5.120 -1.553 1.00 0.29 O ATOM 323 CB LEU A 174 4.560 6.817 -3.154 1.00 0.31 C ATOM 324 CG LEU A 174 3.807 6.928 -4.481 1.00 0.36 C ATOM 325 CD1 LEU A 174 3.408 8.372 -4.746 1.00 0.42 C ATOM 326 CD2 LEU A 174 4.660 6.391 -5.620 1.00 0.42 C ATOM 0 H LEU A 174 2.835 5.112 -2.691 1.00 0.22 H new ATOM 0 HA LEU A 174 5.461 4.902 -3.534 1.00 0.26 H new ATOM 0 HB2 LEU A 174 3.955 7.275 -2.371 1.00 0.31 H new ATOM 0 HB3 LEU A 174 5.480 7.397 -3.226 1.00 0.31 H new ATOM 0 HG LEU A 174 2.900 6.327 -4.417 1.00 0.36 H new ATOM 0 HD11 LEU A 174 2.873 8.434 -5.694 1.00 0.42 H new ATOM 0 HD12 LEU A 174 2.762 8.725 -3.942 1.00 0.42 H new ATOM 0 HD13 LEU A 174 4.302 8.994 -4.793 1.00 0.42 H new ATOM 0 HD21 LEU A 174 4.111 6.477 -6.558 1.00 0.42 H new ATOM 0 HD22 LEU A 174 5.583 6.967 -5.686 1.00 0.42 H new ATOM 0 HD23 LEU A 174 4.898 5.344 -5.434 1.00 0.42 H new ATOM 338 N LEU A 175 5.212 5.806 -0.357 1.00 0.23 N ATOM 339 CA LEU A 175 5.947 5.883 0.899 1.00 0.27 C ATOM 340 C LEU A 175 6.502 4.516 1.287 1.00 0.24 C ATOM 341 O LEU A 175 7.648 4.400 1.719 1.00 0.27 O ATOM 342 CB LEU A 175 5.043 6.415 2.013 1.00 0.32 C ATOM 343 CG LEU A 175 4.483 7.818 1.778 1.00 0.37 C ATOM 344 CD1 LEU A 175 3.547 8.217 2.910 1.00 0.46 C ATOM 345 CD2 LEU A 175 5.614 8.827 1.639 1.00 0.46 C ATOM 0 H LEU A 175 4.228 6.064 -0.286 1.00 0.23 H new ATOM 0 HA LEU A 175 6.782 6.570 0.761 1.00 0.27 H new ATOM 0 HB2 LEU A 175 4.209 5.725 2.144 1.00 0.32 H new ATOM 0 HB3 LEU A 175 5.605 6.417 2.947 1.00 0.32 H new ATOM 0 HG LEU A 175 3.913 7.810 0.849 1.00 0.37 H new ATOM 0 HD11 LEU A 175 3.158 9.218 2.725 1.00 0.46 H new ATOM 0 HD12 LEU A 175 2.719 7.511 2.963 1.00 0.46 H new ATOM 0 HD13 LEU A 175 4.093 8.208 3.854 1.00 0.46 H new ATOM 0 HD21 LEU A 175 5.197 9.820 1.472 1.00 0.46 H new ATOM 0 HD22 LEU A 175 6.211 8.832 2.551 1.00 0.46 H new ATOM 0 HD23 LEU A 175 6.245 8.552 0.794 1.00 0.46 H new ATOM 357 N ALA A 176 5.679 3.484 1.129 1.00 0.21 N ATOM 358 CA ALA A 176 6.090 2.126 1.462 1.00 0.21 C ATOM 359 C ALA A 176 7.395 1.765 0.763 1.00 0.19 C ATOM 360 O ALA A 176 8.353 1.322 1.400 1.00 0.21 O ATOM 361 CB ALA A 176 4.995 1.137 1.088 1.00 0.21 C ATOM 0 H ALA A 176 4.726 3.563 0.773 1.00 0.21 H new ATOM 0 HA ALA A 176 6.257 2.074 2.538 1.00 0.21 H new ATOM 0 HB1 ALA A 176 5.315 0.127 1.342 1.00 0.21 H new ATOM 0 HB2 ALA A 176 4.084 1.378 1.636 1.00 0.21 H new ATOM 0 HB3 ALA A 176 4.800 1.197 0.017 1.00 0.21 H new ATOM 367 N ILE A 177 7.429 1.959 -0.552 1.00 0.18 N ATOM 368 CA ILE A 177 8.622 1.659 -1.330 1.00 0.20 C ATOM 369 C ILE A 177 9.806 2.475 -0.827 1.00 0.21 C ATOM 370 O ILE A 177 10.921 1.968 -0.714 1.00 0.23 O ATOM 371 CB ILE A 177 8.407 1.939 -2.830 1.00 0.23 C ATOM 372 CG1 ILE A 177 7.229 1.116 -3.358 1.00 0.25 C ATOM 373 CG2 ILE A 177 9.672 1.625 -3.615 1.00 0.27 C ATOM 374 CD1 ILE A 177 7.001 1.268 -4.847 1.00 0.47 C ATOM 0 H ILE A 177 6.647 2.321 -1.097 1.00 0.18 H new ATOM 0 HA ILE A 177 8.831 0.597 -1.205 1.00 0.20 H new ATOM 0 HB ILE A 177 8.177 2.997 -2.959 1.00 0.23 H new ATOM 0 HG12 ILE A 177 7.401 0.064 -3.131 1.00 0.25 H new ATOM 0 HG13 ILE A 177 6.324 1.412 -2.828 1.00 0.25 H new ATOM 0 HG21 ILE A 177 9.504 1.828 -4.673 1.00 0.27 H new ATOM 0 HG22 ILE A 177 10.490 2.248 -3.252 1.00 0.27 H new ATOM 0 HG23 ILE A 177 9.930 0.574 -3.484 1.00 0.27 H new ATOM 0 HD11 ILE A 177 6.151 0.656 -5.149 1.00 0.47 H new ATOM 0 HD12 ILE A 177 6.797 2.313 -5.079 1.00 0.47 H new ATOM 0 HD13 ILE A 177 7.891 0.944 -5.386 1.00 0.47 H new ATOM 386 N GLY A 178 9.554 3.745 -0.524 1.00 0.20 N ATOM 387 CA GLY A 178 10.605 4.608 -0.023 1.00 0.23 C ATOM 388 C GLY A 178 11.257 4.038 1.219 1.00 0.22 C ATOM 389 O GLY A 178 12.479 4.086 1.367 1.00 0.23 O ATOM 0 H GLY A 178 8.641 4.190 -0.617 1.00 0.20 H new ATOM 0 HA2 GLY A 178 11.359 4.749 -0.797 1.00 0.23 H new ATOM 0 HA3 GLY A 178 10.192 5.591 0.202 1.00 0.23 H new ATOM 393 N LEU A 179 10.438 3.496 2.114 1.00 0.21 N ATOM 394 CA LEU A 179 10.940 2.903 3.346 1.00 0.23 C ATOM 395 C LEU A 179 11.878 1.747 3.030 1.00 0.21 C ATOM 396 O LEU A 179 12.989 1.676 3.552 1.00 0.24 O ATOM 397 CB LEU A 179 9.781 2.416 4.218 1.00 0.27 C ATOM 398 CG LEU A 179 8.800 3.505 4.652 1.00 0.30 C ATOM 399 CD1 LEU A 179 7.713 2.924 5.543 1.00 0.36 C ATOM 400 CD2 LEU A 179 9.534 4.630 5.365 1.00 0.36 C ATOM 0 H LEU A 179 9.424 3.456 2.008 1.00 0.21 H new ATOM 0 HA LEU A 179 11.492 3.665 3.896 1.00 0.23 H new ATOM 0 HB2 LEU A 179 9.232 1.649 3.672 1.00 0.27 H new ATOM 0 HB3 LEU A 179 10.191 1.940 5.109 1.00 0.27 H new ATOM 0 HG LEU A 179 8.326 3.915 3.760 1.00 0.30 H new ATOM 0 HD11 LEU A 179 7.025 3.715 5.841 1.00 0.36 H new ATOM 0 HD12 LEU A 179 7.167 2.155 4.996 1.00 0.36 H new ATOM 0 HD13 LEU A 179 8.167 2.484 6.431 1.00 0.36 H new ATOM 0 HD21 LEU A 179 8.820 5.396 5.667 1.00 0.36 H new ATOM 0 HD22 LEU A 179 10.037 4.235 6.248 1.00 0.36 H new ATOM 0 HD23 LEU A 179 10.272 5.067 4.692 1.00 0.36 H new ATOM 412 N GLY A 180 11.425 0.843 2.167 1.00 0.20 N ATOM 413 CA GLY A 180 12.246 -0.292 1.795 1.00 0.23 C ATOM 414 C GLY A 180 13.610 0.134 1.290 1.00 0.24 C ATOM 415 O GLY A 180 14.636 -0.346 1.773 1.00 0.28 O ATOM 0 H GLY A 180 10.508 0.877 1.721 1.00 0.20 H new ATOM 0 HA2 GLY A 180 12.367 -0.949 2.656 1.00 0.23 H new ATOM 0 HA3 GLY A 180 11.738 -0.869 1.023 1.00 0.23 H new ATOM 419 N ILE A 181 13.620 1.043 0.320 1.00 0.26 N ATOM 420 CA ILE A 181 14.867 1.542 -0.247 1.00 0.32 C ATOM 421 C ILE A 181 15.700 2.252 0.815 1.00 0.33 C ATOM 422 O ILE A 181 16.916 2.079 0.884 1.00 0.34 O ATOM 423 CB ILE A 181 14.605 2.517 -1.412 1.00 0.41 C ATOM 424 CG1 ILE A 181 13.755 1.842 -2.490 1.00 0.47 C ATOM 425 CG2 ILE A 181 15.919 3.008 -2.001 1.00 0.52 C ATOM 426 CD1 ILE A 181 13.380 2.762 -3.631 1.00 0.90 C ATOM 0 H ILE A 181 12.778 1.449 -0.089 1.00 0.26 H new ATOM 0 HA ILE A 181 15.415 0.678 -0.624 1.00 0.32 H new ATOM 0 HB ILE A 181 14.057 3.377 -1.027 1.00 0.41 H new ATOM 0 HG12 ILE A 181 14.301 0.987 -2.888 1.00 0.47 H new ATOM 0 HG13 ILE A 181 12.845 1.454 -2.033 1.00 0.47 H new ATOM 0 HG21 ILE A 181 15.715 3.695 -2.822 1.00 0.52 H new ATOM 0 HG22 ILE A 181 16.493 3.523 -1.231 1.00 0.52 H new ATOM 0 HG23 ILE A 181 16.491 2.158 -2.373 1.00 0.52 H new ATOM 0 HD11 ILE A 181 12.778 2.215 -4.357 1.00 0.90 H new ATOM 0 HD12 ILE A 181 12.806 3.605 -3.245 1.00 0.90 H new ATOM 0 HD13 ILE A 181 14.285 3.130 -4.114 1.00 0.90 H new ATOM 438 N TYR A 182 15.034 3.053 1.641 1.00 0.35 N ATOM 439 CA TYR A 182 15.707 3.792 2.701 1.00 0.42 C ATOM 440 C TYR A 182 16.542 2.853 3.566 1.00 0.40 C ATOM 441 O TYR A 182 17.705 3.130 3.858 1.00 0.46 O ATOM 442 CB TYR A 182 14.680 4.525 3.565 1.00 0.49 C ATOM 443 CG TYR A 182 15.294 5.440 4.601 1.00 0.62 C ATOM 444 CD1 TYR A 182 15.699 4.949 5.837 1.00 1.34 C ATOM 445 CD2 TYR A 182 15.466 6.794 4.345 1.00 1.16 C ATOM 446 CE1 TYR A 182 16.258 5.784 6.787 1.00 1.44 C ATOM 447 CE2 TYR A 182 16.025 7.634 5.288 1.00 1.25 C ATOM 448 CZ TYR A 182 16.418 7.125 6.506 1.00 0.93 C ATOM 449 OH TYR A 182 16.974 7.958 7.449 1.00 1.09 O ATOM 0 H TYR A 182 14.027 3.206 1.595 1.00 0.35 H new ATOM 0 HA TYR A 182 16.373 4.523 2.242 1.00 0.42 H new ATOM 0 HB2 TYR A 182 14.027 5.111 2.918 1.00 0.49 H new ATOM 0 HB3 TYR A 182 14.053 3.790 4.069 1.00 0.49 H new ATOM 0 HD1 TYR A 182 15.575 3.899 6.059 1.00 1.34 H new ATOM 0 HD2 TYR A 182 15.157 7.197 3.392 1.00 1.16 H new ATOM 0 HE1 TYR A 182 16.567 5.389 7.743 1.00 1.44 H new ATOM 0 HE2 TYR A 182 16.153 8.684 5.072 1.00 1.25 H new ATOM 0 HH TYR A 182 17.017 8.871 7.094 1.00 1.09 H new ATOM 459 N ILE A 183 15.936 1.742 3.973 1.00 0.36 N ATOM 460 CA ILE A 183 16.618 0.758 4.803 1.00 0.42 C ATOM 461 C ILE A 183 17.820 0.162 4.075 1.00 0.41 C ATOM 462 O ILE A 183 18.910 0.055 4.638 1.00 0.46 O ATOM 463 CB ILE A 183 15.664 -0.383 5.215 1.00 0.47 C ATOM 464 CG1 ILE A 183 14.445 0.181 5.946 1.00 0.56 C ATOM 465 CG2 ILE A 183 16.390 -1.392 6.093 1.00 0.58 C ATOM 466 CD1 ILE A 183 13.377 -0.855 6.225 1.00 0.80 C ATOM 0 H ILE A 183 14.972 1.501 3.740 1.00 0.36 H new ATOM 0 HA ILE A 183 16.961 1.279 5.697 1.00 0.42 H new ATOM 0 HB ILE A 183 15.323 -0.892 4.314 1.00 0.47 H new ATOM 0 HG12 ILE A 183 14.768 0.621 6.889 1.00 0.56 H new ATOM 0 HG13 ILE A 183 14.013 0.985 5.350 1.00 0.56 H new ATOM 0 HG21 ILE A 183 15.703 -2.190 6.375 1.00 0.58 H new ATOM 0 HG22 ILE A 183 17.231 -1.814 5.543 1.00 0.58 H new ATOM 0 HG23 ILE A 183 16.757 -0.895 6.991 1.00 0.58 H new ATOM 0 HD11 ILE A 183 12.542 -0.386 6.745 1.00 0.80 H new ATOM 0 HD12 ILE A 183 13.026 -1.279 5.284 1.00 0.80 H new ATOM 0 HD13 ILE A 183 13.793 -1.648 6.847 1.00 0.80 H new ATOM 478 N GLY A 184 17.612 -0.223 2.818 1.00 0.39 N ATOM 479 CA GLY A 184 18.682 -0.810 2.032 1.00 0.46 C ATOM 480 C GLY A 184 19.853 0.133 1.828 1.00 0.50 C ATOM 481 O GLY A 184 21.010 -0.265 1.963 1.00 0.55 O ATOM 0 H GLY A 184 16.720 -0.138 2.330 1.00 0.39 H new ATOM 0 HA2 GLY A 184 19.034 -1.716 2.526 1.00 0.46 H new ATOM 0 HA3 GLY A 184 18.290 -1.109 1.060 1.00 0.46 H new ATOM 485 N ARG A 185 19.559 1.384 1.495 1.00 0.53 N ATOM 486 CA ARG A 185 20.603 2.377 1.273 1.00 0.65 C ATOM 487 C ARG A 185 21.425 2.596 2.539 1.00 0.67 C ATOM 488 O ARG A 185 22.601 2.955 2.471 1.00 0.76 O ATOM 489 CB ARG A 185 19.988 3.700 0.818 1.00 0.76 C ATOM 490 CG ARG A 185 19.011 4.286 1.814 1.00 0.72 C ATOM 491 CD ARG A 185 18.727 5.749 1.524 1.00 0.81 C ATOM 492 NE ARG A 185 18.247 5.952 0.161 1.00 1.27 N ATOM 493 CZ ARG A 185 17.656 7.067 -0.251 1.00 1.59 C ATOM 494 NH1 ARG A 185 17.463 8.070 0.594 1.00 1.66 N ATOM 495 NH2 ARG A 185 17.254 7.179 -1.510 1.00 2.24 N ATOM 0 H ARG A 185 18.609 1.734 1.373 1.00 0.53 H new ATOM 0 HA ARG A 185 21.264 2.003 0.492 1.00 0.65 H new ATOM 0 HB2 ARG A 185 20.787 4.420 0.638 1.00 0.76 H new ATOM 0 HB3 ARG A 185 19.477 3.546 -0.133 1.00 0.76 H new ATOM 0 HG2 ARG A 185 18.079 3.721 1.786 1.00 0.72 H new ATOM 0 HG3 ARG A 185 19.414 4.186 2.822 1.00 0.72 H new ATOM 0 HD2 ARG A 185 17.984 6.121 2.229 1.00 0.81 H new ATOM 0 HD3 ARG A 185 19.634 6.332 1.680 1.00 0.81 H new ATOM 0 HE ARG A 185 18.372 5.196 -0.512 1.00 1.27 H new ATOM 0 HH11 ARG A 185 17.769 7.986 1.563 1.00 1.66 H new ATOM 0 HH12 ARG A 185 17.009 8.926 0.275 1.00 1.66 H new ATOM 0 HH21 ARG A 185 17.399 6.408 -2.162 1.00 2.24 H new ATOM 0 HH22 ARG A 185 16.800 8.036 -1.826 1.00 2.24 H new ATOM 509 N ARG A 186 20.802 2.377 3.693 1.00 0.63 N ATOM 510 CA ARG A 186 21.480 2.557 4.973 1.00 0.73 C ATOM 511 C ARG A 186 22.028 1.232 5.494 1.00 0.74 C ATOM 512 O ARG A 186 21.998 0.967 6.696 1.00 0.86 O ATOM 513 CB ARG A 186 20.526 3.166 6.001 1.00 0.81 C ATOM 514 CG ARG A 186 19.376 2.248 6.383 1.00 1.80 C ATOM 515 CD ARG A 186 18.515 2.864 7.473 1.00 2.20 C ATOM 516 NE ARG A 186 17.563 1.904 8.026 1.00 2.90 N ATOM 517 CZ ARG A 186 17.858 1.047 9.000 1.00 3.61 C ATOM 518 NH1 ARG A 186 19.082 1.013 9.512 1.00 3.86 N ATOM 519 NH2 ARG A 186 16.929 0.221 9.460 1.00 4.48 N ATOM 0 H ARG A 186 19.831 2.075 3.768 1.00 0.63 H new ATOM 0 HA ARG A 186 22.317 3.238 4.816 1.00 0.73 H new ATOM 0 HB2 ARG A 186 21.088 3.423 6.899 1.00 0.81 H new ATOM 0 HB3 ARG A 186 20.121 4.096 5.602 1.00 0.81 H new ATOM 0 HG2 ARG A 186 18.764 2.044 5.505 1.00 1.80 H new ATOM 0 HG3 ARG A 186 19.770 1.291 6.725 1.00 1.80 H new ATOM 0 HD2 ARG A 186 19.155 3.241 8.271 1.00 2.20 H new ATOM 0 HD3 ARG A 186 17.974 3.719 7.068 1.00 2.20 H new ATOM 0 HE ARG A 186 16.618 1.890 7.643 1.00 2.90 H new ATOM 0 HH11 ARG A 186 19.800 1.645 9.159 1.00 3.86 H new ATOM 0 HH12 ARG A 186 19.304 0.355 10.259 1.00 3.86 H new ATOM 0 HH21 ARG A 186 15.988 0.242 9.067 1.00 4.48 H new ATOM 0 HH22 ARG A 186 17.155 -0.436 10.207 1.00 4.48 H new ATOM 533 N LEU A 187 22.528 0.402 4.584 1.00 0.73 N ATOM 534 CA LEU A 187 23.083 -0.894 4.956 1.00 0.84 C ATOM 535 C LEU A 187 24.481 -0.739 5.547 1.00 1.03 C ATOM 536 O LEU A 187 24.802 -1.343 6.571 1.00 1.21 O ATOM 537 CB LEU A 187 23.131 -1.819 3.738 1.00 0.83 C ATOM 538 CG LEU A 187 21.833 -2.575 3.445 1.00 0.78 C ATOM 539 CD1 LEU A 187 21.906 -3.256 2.088 1.00 0.90 C ATOM 540 CD2 LEU A 187 21.555 -3.594 4.539 1.00 0.98 C ATOM 0 H LEU A 187 22.560 0.604 3.585 1.00 0.73 H new ATOM 0 HA LEU A 187 22.435 -1.335 5.714 1.00 0.84 H new ATOM 0 HB2 LEU A 187 23.394 -1.227 2.862 1.00 0.83 H new ATOM 0 HB3 LEU A 187 23.931 -2.545 3.884 1.00 0.83 H new ATOM 0 HG LEU A 187 21.013 -1.857 3.424 1.00 0.78 H new ATOM 0 HD11 LEU A 187 20.974 -3.788 1.897 1.00 0.90 H new ATOM 0 HD12 LEU A 187 22.061 -2.506 1.312 1.00 0.90 H new ATOM 0 HD13 LEU A 187 22.736 -3.963 2.080 1.00 0.90 H new ATOM 0 HD21 LEU A 187 20.629 -4.123 4.316 1.00 0.98 H new ATOM 0 HD22 LEU A 187 22.378 -4.307 4.589 1.00 0.98 H new ATOM 0 HD23 LEU A 187 21.459 -3.083 5.497 1.00 0.98 H new ATOM 789 N SER B 168 -6.288 -7.149 2.494 1.00 0.84 N ATOM 790 CA SER B 168 -5.461 -7.147 1.292 1.00 0.77 C ATOM 791 C SER B 168 -4.610 -5.883 1.221 1.00 0.60 C ATOM 792 O SER B 168 -3.423 -5.941 0.901 1.00 0.54 O ATOM 793 CB SER B 168 -6.339 -7.257 0.044 1.00 0.90 C ATOM 794 OG SER B 168 -5.552 -7.244 -1.136 1.00 1.54 O ATOM 0 HA SER B 168 -4.796 -8.009 1.336 1.00 0.77 H new ATOM 0 HB2 SER B 168 -6.922 -8.177 0.086 1.00 0.90 H new ATOM 0 HB3 SER B 168 -7.049 -6.430 0.021 1.00 0.90 H new ATOM 0 HG SER B 168 -6.136 -7.317 -1.920 1.00 1.54 H new ATOM 800 N LEU B 169 -5.224 -4.741 1.518 1.00 0.60 N ATOM 801 CA LEU B 169 -4.517 -3.466 1.489 1.00 0.52 C ATOM 802 C LEU B 169 -3.258 -3.527 2.345 1.00 0.44 C ATOM 803 O LEU B 169 -2.193 -3.065 1.934 1.00 0.37 O ATOM 804 CB LEU B 169 -5.426 -2.339 1.983 1.00 0.63 C ATOM 805 CG LEU B 169 -6.608 -2.014 1.070 1.00 0.72 C ATOM 806 CD1 LEU B 169 -7.429 -0.871 1.647 1.00 0.86 C ATOM 807 CD2 LEU B 169 -6.120 -1.671 -0.330 1.00 0.76 C ATOM 0 H LEU B 169 -6.207 -4.673 1.781 1.00 0.60 H new ATOM 0 HA LEU B 169 -4.229 -3.263 0.458 1.00 0.52 H new ATOM 0 HB2 LEU B 169 -5.810 -2.607 2.967 1.00 0.63 H new ATOM 0 HB3 LEU B 169 -4.826 -1.438 2.110 1.00 0.63 H new ATOM 0 HG LEU B 169 -7.247 -2.895 1.005 1.00 0.72 H new ATOM 0 HD11 LEU B 169 -8.266 -0.653 0.984 1.00 0.86 H new ATOM 0 HD12 LEU B 169 -7.808 -1.155 2.629 1.00 0.86 H new ATOM 0 HD13 LEU B 169 -6.802 0.015 1.743 1.00 0.86 H new ATOM 0 HD21 LEU B 169 -6.974 -1.442 -0.967 1.00 0.76 H new ATOM 0 HD22 LEU B 169 -5.460 -0.805 -0.283 1.00 0.76 H new ATOM 0 HD23 LEU B 169 -5.576 -2.520 -0.744 1.00 0.76 H new ATOM 819 N LEU B 170 -3.388 -4.101 3.535 1.00 0.51 N ATOM 820 CA LEU B 170 -2.259 -4.225 4.450 1.00 0.52 C ATOM 821 C LEU B 170 -1.147 -5.060 3.824 1.00 0.44 C ATOM 822 O LEU B 170 0.024 -4.686 3.870 1.00 0.40 O ATOM 823 CB LEU B 170 -2.705 -4.854 5.772 1.00 0.67 C ATOM 824 CG LEU B 170 -3.551 -3.954 6.676 1.00 0.80 C ATOM 825 CD1 LEU B 170 -4.842 -3.548 5.982 1.00 0.86 C ATOM 826 CD2 LEU B 170 -3.851 -4.655 7.991 1.00 0.93 C ATOM 0 H LEU B 170 -4.263 -4.488 3.889 1.00 0.51 H new ATOM 0 HA LEU B 170 -1.874 -3.225 4.649 1.00 0.52 H new ATOM 0 HB2 LEU B 170 -3.275 -5.757 5.551 1.00 0.67 H new ATOM 0 HB3 LEU B 170 -1.818 -5.164 6.325 1.00 0.67 H new ATOM 0 HG LEU B 170 -2.980 -3.049 6.886 1.00 0.80 H new ATOM 0 HD11 LEU B 170 -5.426 -2.909 6.644 1.00 0.86 H new ATOM 0 HD12 LEU B 170 -4.608 -3.004 5.067 1.00 0.86 H new ATOM 0 HD13 LEU B 170 -5.419 -4.440 5.737 1.00 0.86 H new ATOM 0 HD21 LEU B 170 -4.453 -4.002 8.622 1.00 0.93 H new ATOM 0 HD22 LEU B 170 -4.399 -5.577 7.795 1.00 0.93 H new ATOM 0 HD23 LEU B 170 -2.916 -4.890 8.500 1.00 0.93 H new ATOM 838 N LEU B 171 -1.524 -6.192 3.238 1.00 0.45 N ATOM 839 CA LEU B 171 -0.557 -7.075 2.598 1.00 0.45 C ATOM 840 C LEU B 171 0.182 -6.345 1.483 1.00 0.37 C ATOM 841 O LEU B 171 1.399 -6.468 1.347 1.00 0.38 O ATOM 842 CB LEU B 171 -1.259 -8.314 2.039 1.00 0.54 C ATOM 843 CG LEU B 171 -2.050 -9.125 3.067 1.00 0.65 C ATOM 844 CD1 LEU B 171 -2.703 -10.330 2.409 1.00 0.74 C ATOM 845 CD2 LEU B 171 -1.146 -9.563 4.209 1.00 0.74 C ATOM 0 H LEU B 171 -2.489 -6.518 3.193 1.00 0.45 H new ATOM 0 HA LEU B 171 0.169 -7.388 3.348 1.00 0.45 H new ATOM 0 HB2 LEU B 171 -1.937 -8.002 1.244 1.00 0.54 H new ATOM 0 HB3 LEU B 171 -0.511 -8.963 1.583 1.00 0.54 H new ATOM 0 HG LEU B 171 -2.836 -8.490 3.475 1.00 0.65 H new ATOM 0 HD11 LEU B 171 -3.261 -10.895 3.156 1.00 0.74 H new ATOM 0 HD12 LEU B 171 -3.383 -9.993 1.626 1.00 0.74 H new ATOM 0 HD13 LEU B 171 -1.934 -10.967 1.972 1.00 0.74 H new ATOM 0 HD21 LEU B 171 -1.725 -10.139 4.931 1.00 0.74 H new ATOM 0 HD22 LEU B 171 -0.338 -10.180 3.817 1.00 0.74 H new ATOM 0 HD23 LEU B 171 -0.726 -8.684 4.699 1.00 0.74 H new ATOM 857 N SER B 172 -0.562 -5.581 0.688 1.00 0.32 N ATOM 858 CA SER B 172 0.025 -4.823 -0.410 1.00 0.31 C ATOM 859 C SER B 172 1.128 -3.904 0.105 1.00 0.26 C ATOM 860 O SER B 172 2.223 -3.857 -0.455 1.00 0.30 O ATOM 861 CB SER B 172 -1.051 -4.000 -1.121 1.00 0.33 C ATOM 862 OG SER B 172 -2.078 -4.833 -1.629 1.00 0.40 O ATOM 0 H SER B 172 -1.571 -5.471 0.784 1.00 0.32 H new ATOM 0 HA SER B 172 0.459 -5.527 -1.120 1.00 0.31 H new ATOM 0 HB2 SER B 172 -1.476 -3.275 -0.427 1.00 0.33 H new ATOM 0 HB3 SER B 172 -0.601 -3.434 -1.937 1.00 0.33 H new ATOM 0 HG SER B 172 -2.599 -5.201 -0.885 1.00 0.40 H new ATOM 868 N HIS B 173 0.829 -3.175 1.176 1.00 0.22 N ATOM 869 CA HIS B 173 1.797 -2.263 1.773 1.00 0.23 C ATOM 870 C HIS B 173 3.090 -2.995 2.115 1.00 0.23 C ATOM 871 O HIS B 173 4.177 -2.566 1.731 1.00 0.25 O ATOM 872 CB HIS B 173 1.216 -1.617 3.031 1.00 0.28 C ATOM 873 CG HIS B 173 0.098 -0.660 2.752 1.00 0.28 C ATOM 874 ND1 HIS B 173 -1.229 -0.967 2.967 1.00 0.34 N ATOM 875 CD2 HIS B 173 0.116 0.609 2.278 1.00 0.36 C ATOM 876 CE1 HIS B 173 -1.978 0.069 2.635 1.00 0.35 C ATOM 877 NE2 HIS B 173 -1.186 1.038 2.215 1.00 0.36 N ATOM 0 H HIS B 173 -0.075 -3.198 1.647 1.00 0.22 H new ATOM 0 HA HIS B 173 2.021 -1.483 1.045 1.00 0.23 H new ATOM 0 HB2 HIS B 173 0.855 -2.400 3.698 1.00 0.28 H new ATOM 0 HB3 HIS B 173 2.011 -1.090 3.559 1.00 0.28 H new ATOM 0 HD1 HIS B 173 -1.578 -1.856 3.326 1.00 0.34 H new ATOM 0 HD2 HIS B 173 0.992 1.177 2.001 1.00 0.36 H new ATOM 0 HE1 HIS B 173 -3.055 0.115 2.697 1.00 0.35 H new ATOM 886 N LEU B 174 2.963 -4.101 2.840 1.00 0.24 N ATOM 887 CA LEU B 174 4.122 -4.893 3.230 1.00 0.27 C ATOM 888 C LEU B 174 4.927 -5.302 2.002 1.00 0.23 C ATOM 889 O LEU B 174 6.140 -5.102 1.946 1.00 0.24 O ATOM 890 CB LEU B 174 3.683 -6.137 4.006 1.00 0.33 C ATOM 891 CG LEU B 174 2.926 -5.855 5.305 1.00 0.40 C ATOM 892 CD1 LEU B 174 2.564 -7.157 6.003 1.00 0.48 C ATOM 893 CD2 LEU B 174 3.753 -4.968 6.222 1.00 0.47 C ATOM 0 H LEU B 174 2.070 -4.468 3.169 1.00 0.24 H new ATOM 0 HA LEU B 174 4.753 -4.281 3.875 1.00 0.27 H new ATOM 0 HB2 LEU B 174 3.051 -6.746 3.360 1.00 0.33 H new ATOM 0 HB3 LEU B 174 4.566 -6.732 4.240 1.00 0.33 H new ATOM 0 HG LEU B 174 2.004 -5.329 5.060 1.00 0.40 H new ATOM 0 HD11 LEU B 174 2.026 -6.938 6.925 1.00 0.48 H new ATOM 0 HD12 LEU B 174 1.932 -7.757 5.348 1.00 0.48 H new ATOM 0 HD13 LEU B 174 3.474 -7.710 6.236 1.00 0.48 H new ATOM 0 HD21 LEU B 174 3.199 -4.778 7.141 1.00 0.47 H new ATOM 0 HD22 LEU B 174 4.692 -5.467 6.461 1.00 0.47 H new ATOM 0 HD23 LEU B 174 3.962 -4.022 5.722 1.00 0.47 H new ATOM 905 N LEU B 175 4.242 -5.877 1.017 1.00 0.22 N ATOM 906 CA LEU B 175 4.894 -6.308 -0.214 1.00 0.23 C ATOM 907 C LEU B 175 5.618 -5.141 -0.874 1.00 0.21 C ATOM 908 O LEU B 175 6.739 -5.287 -1.362 1.00 0.23 O ATOM 909 CB LEU B 175 3.867 -6.900 -1.181 1.00 0.27 C ATOM 910 CG LEU B 175 3.148 -8.151 -0.677 1.00 0.32 C ATOM 911 CD1 LEU B 175 2.146 -8.643 -1.710 1.00 0.38 C ATOM 912 CD2 LEU B 175 4.153 -9.244 -0.345 1.00 0.38 C ATOM 0 H LEU B 175 3.238 -6.054 1.048 1.00 0.22 H new ATOM 0 HA LEU B 175 5.626 -7.075 0.038 1.00 0.23 H new ATOM 0 HB2 LEU B 175 3.122 -6.137 -1.407 1.00 0.27 H new ATOM 0 HB3 LEU B 175 4.370 -7.141 -2.118 1.00 0.27 H new ATOM 0 HG LEU B 175 2.605 -7.894 0.232 1.00 0.32 H new ATOM 0 HD11 LEU B 175 1.644 -9.534 -1.334 1.00 0.38 H new ATOM 0 HD12 LEU B 175 1.408 -7.864 -1.901 1.00 0.38 H new ATOM 0 HD13 LEU B 175 2.667 -8.884 -2.636 1.00 0.38 H new ATOM 0 HD21 LEU B 175 3.625 -10.128 0.012 1.00 0.38 H new ATOM 0 HD22 LEU B 175 4.722 -9.498 -1.239 1.00 0.38 H new ATOM 0 HD23 LEU B 175 4.833 -8.890 0.430 1.00 0.38 H new ATOM 924 N ALA B 176 4.968 -3.981 -0.886 1.00 0.21 N ATOM 925 CA ALA B 176 5.550 -2.785 -1.480 1.00 0.23 C ATOM 926 C ALA B 176 6.892 -2.460 -0.834 1.00 0.22 C ATOM 927 O ALA B 176 7.899 -2.279 -1.521 1.00 0.24 O ATOM 928 CB ALA B 176 4.594 -1.609 -1.345 1.00 0.26 C ATOM 0 H ALA B 176 4.038 -3.845 -0.491 1.00 0.21 H new ATOM 0 HA ALA B 176 5.720 -2.975 -2.540 1.00 0.23 H new ATOM 0 HB1 ALA B 176 5.042 -0.722 -1.793 1.00 0.26 H new ATOM 0 HB2 ALA B 176 3.659 -1.840 -1.855 1.00 0.26 H new ATOM 0 HB3 ALA B 176 4.395 -1.421 -0.290 1.00 0.26 H new ATOM 934 N ILE B 177 6.898 -2.387 0.493 1.00 0.20 N ATOM 935 CA ILE B 177 8.116 -2.089 1.232 1.00 0.21 C ATOM 936 C ILE B 177 9.226 -3.060 0.853 1.00 0.21 C ATOM 937 O ILE B 177 10.374 -2.662 0.654 1.00 0.22 O ATOM 938 CB ILE B 177 7.885 -2.154 2.753 1.00 0.22 C ATOM 939 CG1 ILE B 177 6.761 -1.200 3.159 1.00 0.24 C ATOM 940 CG2 ILE B 177 9.167 -1.816 3.498 1.00 0.25 C ATOM 941 CD1 ILE B 177 6.468 -1.206 4.644 1.00 0.29 C ATOM 0 H ILE B 177 6.074 -2.530 1.076 1.00 0.20 H new ATOM 0 HA ILE B 177 8.412 -1.074 0.967 1.00 0.21 H new ATOM 0 HB ILE B 177 7.590 -3.169 3.019 1.00 0.22 H new ATOM 0 HG12 ILE B 177 7.027 -0.188 2.854 1.00 0.24 H new ATOM 0 HG13 ILE B 177 5.854 -1.469 2.617 1.00 0.24 H new ATOM 0 HG21 ILE B 177 8.988 -1.866 4.572 1.00 0.25 H new ATOM 0 HG22 ILE B 177 9.945 -2.530 3.226 1.00 0.25 H new ATOM 0 HG23 ILE B 177 9.489 -0.809 3.231 1.00 0.25 H new ATOM 0 HD11 ILE B 177 5.660 -0.506 4.858 1.00 0.29 H new ATOM 0 HD12 ILE B 177 6.171 -2.208 4.952 1.00 0.29 H new ATOM 0 HD13 ILE B 177 7.362 -0.908 5.192 1.00 0.29 H new ATOM 953 N GLY B 178 8.878 -4.341 0.760 1.00 0.21 N ATOM 954 CA GLY B 178 9.857 -5.346 0.393 1.00 0.23 C ATOM 955 C GLY B 178 10.553 -5.008 -0.909 1.00 0.23 C ATOM 956 O GLY B 178 11.779 -5.077 -1.005 1.00 0.26 O ATOM 0 H GLY B 178 7.938 -4.699 0.932 1.00 0.21 H new ATOM 0 HA2 GLY B 178 10.598 -5.438 1.187 1.00 0.23 H new ATOM 0 HA3 GLY B 178 9.366 -6.315 0.301 1.00 0.23 H new ATOM 960 N LEU B 179 9.765 -4.635 -1.914 1.00 0.21 N ATOM 961 CA LEU B 179 10.310 -4.276 -3.216 1.00 0.23 C ATOM 962 C LEU B 179 11.355 -3.179 -3.072 1.00 0.24 C ATOM 963 O LEU B 179 12.475 -3.306 -3.566 1.00 0.28 O ATOM 964 CB LEU B 179 9.196 -3.806 -4.152 1.00 0.25 C ATOM 965 CG LEU B 179 8.169 -4.873 -4.531 1.00 0.27 C ATOM 966 CD1 LEU B 179 7.053 -4.265 -5.366 1.00 0.34 C ATOM 967 CD2 LEU B 179 8.840 -6.013 -5.283 1.00 0.33 C ATOM 0 H LEU B 179 8.749 -4.574 -1.850 1.00 0.21 H new ATOM 0 HA LEU B 179 10.781 -5.161 -3.642 1.00 0.23 H new ATOM 0 HB2 LEU B 179 8.674 -2.974 -3.680 1.00 0.25 H new ATOM 0 HB3 LEU B 179 9.649 -3.421 -5.065 1.00 0.25 H new ATOM 0 HG LEU B 179 7.733 -5.274 -3.616 1.00 0.27 H new ATOM 0 HD11 LEU B 179 6.331 -5.039 -5.627 1.00 0.34 H new ATOM 0 HD12 LEU B 179 6.555 -3.482 -4.793 1.00 0.34 H new ATOM 0 HD13 LEU B 179 7.472 -3.838 -6.277 1.00 0.34 H new ATOM 0 HD21 LEU B 179 8.095 -6.764 -5.545 1.00 0.33 H new ATOM 0 HD22 LEU B 179 9.302 -5.627 -6.192 1.00 0.33 H new ATOM 0 HD23 LEU B 179 9.604 -6.465 -4.651 1.00 0.33 H new ATOM 979 N GLY B 180 10.983 -2.106 -2.380 1.00 0.23 N ATOM 980 CA GLY B 180 11.900 -1.000 -2.186 1.00 0.27 C ATOM 981 C GLY B 180 13.244 -1.453 -1.654 1.00 0.29 C ATOM 982 O GLY B 180 14.290 -1.029 -2.144 1.00 0.34 O ATOM 0 H GLY B 180 10.065 -1.984 -1.952 1.00 0.23 H new ATOM 0 HA2 GLY B 180 12.043 -0.480 -3.133 1.00 0.27 H new ATOM 0 HA3 GLY B 180 11.460 -0.284 -1.492 1.00 0.27 H new ATOM 986 N ILE B 181 13.219 -2.321 -0.650 1.00 0.27 N ATOM 987 CA ILE B 181 14.447 -2.834 -0.061 1.00 0.32 C ATOM 988 C ILE B 181 15.329 -3.466 -1.129 1.00 0.37 C ATOM 989 O ILE B 181 16.520 -3.173 -1.224 1.00 0.44 O ATOM 990 CB ILE B 181 14.152 -3.880 1.026 1.00 0.34 C ATOM 991 CG1 ILE B 181 13.238 -3.291 2.098 1.00 0.32 C ATOM 992 CG2 ILE B 181 15.448 -4.383 1.643 1.00 0.42 C ATOM 993 CD1 ILE B 181 12.784 -4.308 3.119 1.00 0.67 C ATOM 0 H ILE B 181 12.364 -2.683 -0.228 1.00 0.27 H new ATOM 0 HA ILE B 181 14.966 -1.989 0.393 1.00 0.32 H new ATOM 0 HB ILE B 181 13.640 -4.725 0.566 1.00 0.34 H new ATOM 0 HG12 ILE B 181 13.762 -2.483 2.608 1.00 0.32 H new ATOM 0 HG13 ILE B 181 12.363 -2.852 1.619 1.00 0.32 H new ATOM 0 HG21 ILE B 181 15.222 -5.123 2.411 1.00 0.42 H new ATOM 0 HG22 ILE B 181 16.066 -4.839 0.870 1.00 0.42 H new ATOM 0 HG23 ILE B 181 15.986 -3.548 2.091 1.00 0.42 H new ATOM 0 HD11 ILE B 181 12.138 -3.825 3.852 1.00 0.67 H new ATOM 0 HD12 ILE B 181 12.233 -5.105 2.619 1.00 0.67 H new ATOM 0 HD13 ILE B 181 13.653 -4.730 3.624 1.00 0.67 H new ATOM 1005 N TYR B 182 14.727 -4.336 -1.931 1.00 0.36 N ATOM 1006 CA TYR B 182 15.444 -5.020 -3.000 1.00 0.42 C ATOM 1007 C TYR B 182 16.163 -4.023 -3.908 1.00 0.45 C ATOM 1008 O TYR B 182 17.316 -4.232 -4.283 1.00 0.51 O ATOM 1009 CB TYR B 182 14.474 -5.872 -3.823 1.00 0.46 C ATOM 1010 CG TYR B 182 15.152 -6.718 -4.877 1.00 0.58 C ATOM 1011 CD1 TYR B 182 15.810 -7.892 -4.533 1.00 1.20 C ATOM 1012 CD2 TYR B 182 15.131 -6.345 -6.215 1.00 1.48 C ATOM 1013 CE1 TYR B 182 16.429 -8.669 -5.492 1.00 1.25 C ATOM 1014 CE2 TYR B 182 15.748 -7.119 -7.180 1.00 1.56 C ATOM 1015 CZ TYR B 182 16.395 -8.280 -6.814 1.00 0.83 C ATOM 1016 OH TYR B 182 17.011 -9.052 -7.772 1.00 0.97 O ATOM 0 H TYR B 182 13.740 -4.585 -1.861 1.00 0.36 H new ATOM 0 HA TYR B 182 16.194 -5.667 -2.544 1.00 0.42 H new ATOM 0 HB2 TYR B 182 13.916 -6.523 -3.150 1.00 0.46 H new ATOM 0 HB3 TYR B 182 13.749 -5.217 -4.306 1.00 0.46 H new ATOM 0 HD1 TYR B 182 15.838 -8.202 -3.499 1.00 1.20 H new ATOM 0 HD2 TYR B 182 14.625 -5.436 -6.506 1.00 1.48 H new ATOM 0 HE1 TYR B 182 16.938 -9.578 -5.207 1.00 1.25 H new ATOM 0 HE2 TYR B 182 15.723 -6.815 -8.216 1.00 1.56 H new ATOM 0 HH TYR B 182 16.893 -8.637 -8.652 1.00 0.97 H new ATOM 1026 N ILE B 183 15.475 -2.945 -4.266 1.00 0.44 N ATOM 1027 CA ILE B 183 16.054 -1.921 -5.132 1.00 0.50 C ATOM 1028 C ILE B 183 17.261 -1.253 -4.477 1.00 0.52 C ATOM 1029 O ILE B 183 18.324 -1.132 -5.085 1.00 0.59 O ATOM 1030 CB ILE B 183 15.026 -0.833 -5.495 1.00 0.55 C ATOM 1031 CG1 ILE B 183 13.688 -1.466 -5.885 1.00 0.59 C ATOM 1032 CG2 ILE B 183 15.553 0.039 -6.624 1.00 0.64 C ATOM 1033 CD1 ILE B 183 13.814 -2.600 -6.878 1.00 0.83 C ATOM 0 H ILE B 183 14.517 -2.756 -3.971 1.00 0.44 H new ATOM 0 HA ILE B 183 16.370 -2.433 -6.041 1.00 0.50 H new ATOM 0 HB ILE B 183 14.865 -0.204 -4.619 1.00 0.55 H new ATOM 0 HG12 ILE B 183 13.196 -1.836 -4.985 1.00 0.59 H new ATOM 0 HG13 ILE B 183 13.042 -0.696 -6.307 1.00 0.59 H new ATOM 0 HG21 ILE B 183 14.815 0.803 -6.869 1.00 0.64 H new ATOM 0 HG22 ILE B 183 16.481 0.518 -6.311 1.00 0.64 H new ATOM 0 HG23 ILE B 183 15.742 -0.578 -7.503 1.00 0.64 H new ATOM 0 HD11 ILE B 183 12.824 -2.997 -7.105 1.00 0.83 H new ATOM 0 HD12 ILE B 183 14.276 -2.232 -7.794 1.00 0.83 H new ATOM 0 HD13 ILE B 183 14.433 -3.390 -6.452 1.00 0.83 H new ATOM 1045 N GLY B 184 17.086 -0.821 -3.231 1.00 0.50 N ATOM 1046 CA GLY B 184 18.156 -0.151 -2.514 1.00 0.57 C ATOM 1047 C GLY B 184 19.405 -0.999 -2.366 1.00 0.62 C ATOM 1048 O GLY B 184 20.503 -0.562 -2.713 1.00 0.69 O ATOM 0 H GLY B 184 16.219 -0.924 -2.704 1.00 0.50 H new ATOM 0 HA2 GLY B 184 18.412 0.771 -3.036 1.00 0.57 H new ATOM 0 HA3 GLY B 184 17.798 0.132 -1.524 1.00 0.57 H new ATOM 1052 N ARG B 185 19.244 -2.214 -1.853 1.00 0.62 N ATOM 1053 CA ARG B 185 20.376 -3.112 -1.652 1.00 0.72 C ATOM 1054 C ARG B 185 21.156 -3.326 -2.948 1.00 0.79 C ATOM 1055 O ARG B 185 22.320 -3.727 -2.919 1.00 0.88 O ATOM 1056 CB ARG B 185 19.901 -4.452 -1.086 1.00 0.77 C ATOM 1057 CG ARG B 185 18.800 -5.106 -1.897 1.00 0.72 C ATOM 1058 CD ARG B 185 19.360 -5.906 -3.062 1.00 1.02 C ATOM 1059 NE ARG B 185 20.290 -6.940 -2.617 1.00 1.43 N ATOM 1060 CZ ARG B 185 20.843 -7.834 -3.430 1.00 2.03 C ATOM 1061 NH1 ARG B 185 20.556 -7.825 -4.724 1.00 2.27 N ATOM 1062 NH2 ARG B 185 21.682 -8.741 -2.949 1.00 2.56 N ATOM 0 H ARG B 185 18.343 -2.599 -1.569 1.00 0.62 H new ATOM 0 HA ARG B 185 21.048 -2.645 -0.932 1.00 0.72 H new ATOM 0 HB2 ARG B 185 20.750 -5.133 -1.029 1.00 0.77 H new ATOM 0 HB3 ARG B 185 19.546 -4.299 -0.067 1.00 0.77 H new ATOM 0 HG2 ARG B 185 18.214 -5.762 -1.253 1.00 0.72 H new ATOM 0 HG3 ARG B 185 18.122 -4.341 -2.274 1.00 0.72 H new ATOM 0 HD2 ARG B 185 18.540 -6.368 -3.612 1.00 1.02 H new ATOM 0 HD3 ARG B 185 19.869 -5.233 -3.753 1.00 1.02 H new ATOM 0 HE ARG B 185 20.529 -6.978 -1.626 1.00 1.43 H new ATOM 0 HH11 ARG B 185 19.909 -7.131 -5.098 1.00 2.27 H new ATOM 0 HH12 ARG B 185 20.982 -8.512 -5.346 1.00 2.27 H new ATOM 0 HH21 ARG B 185 21.904 -8.753 -1.954 1.00 2.56 H new ATOM 0 HH22 ARG B 185 22.106 -9.426 -3.574 1.00 2.56 H new