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 36:sc= 0.0599 USER MOD Single : A 172 SER OG : rot 84:sc= 1.27 USER MOD Single : A 173 HIS : no HD1:sc= -1.81! C(o=-1.8!,f=-4!) USER MOD Single : A 182 TYR OH : rot 180:sc= 0 USER MOD Single : B 168 SER OG : rot 28:sc= 0.0524 USER MOD Single : B 172 SER OG : rot 65:sc= 1.24 USER MOD Single : B 173 HIS : no HE2:sc= -1.17 K(o=-1.2,f=-2.5!) USER MOD Single : B 182 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 222 N SER A 168 -4.891 8.629 -0.286 1.00 0.76 N ATOM 223 CA SER A 168 -4.003 8.100 0.743 1.00 0.70 C ATOM 224 C SER A 168 -3.403 6.765 0.317 1.00 0.57 C ATOM 225 O SER A 168 -2.214 6.516 0.519 1.00 0.51 O ATOM 226 CB SER A 168 -4.761 7.934 2.062 1.00 0.82 C ATOM 227 OG SER A 168 -5.287 9.173 2.508 1.00 1.39 O ATOM 0 HA SER A 168 -3.189 8.812 0.884 1.00 0.70 H new ATOM 0 HB2 SER A 168 -5.572 7.217 1.931 1.00 0.82 H new ATOM 0 HB3 SER A 168 -4.093 7.525 2.820 1.00 0.82 H new ATOM 0 HG SER A 168 -5.571 9.705 1.735 1.00 1.39 H new ATOM 233 N LEU A 169 -4.230 5.910 -0.276 1.00 0.58 N ATOM 234 CA LEU A 169 -3.775 4.600 -0.728 1.00 0.51 C ATOM 235 C LEU A 169 -2.567 4.726 -1.649 1.00 0.41 C ATOM 236 O LEU A 169 -1.545 4.075 -1.436 1.00 0.36 O ATOM 237 CB LEU A 169 -4.906 3.861 -1.445 1.00 0.64 C ATOM 238 CG LEU A 169 -6.146 3.591 -0.592 1.00 0.77 C ATOM 239 CD1 LEU A 169 -7.136 2.719 -1.349 1.00 1.07 C ATOM 240 CD2 LEU A 169 -5.755 2.939 0.725 1.00 0.81 C ATOM 0 H LEU A 169 -5.216 6.100 -0.454 1.00 0.58 H new ATOM 0 HA LEU A 169 -3.477 4.027 0.150 1.00 0.51 H new ATOM 0 HB2 LEU A 169 -5.204 4.443 -2.318 1.00 0.64 H new ATOM 0 HB3 LEU A 169 -4.522 2.909 -1.812 1.00 0.64 H new ATOM 0 HG LEU A 169 -6.628 4.544 -0.373 1.00 0.77 H new ATOM 0 HD11 LEU A 169 -8.012 2.538 -0.726 1.00 1.07 H new ATOM 0 HD12 LEU A 169 -7.441 3.225 -2.265 1.00 1.07 H new ATOM 0 HD13 LEU A 169 -6.666 1.768 -1.600 1.00 1.07 H new ATOM 0 HD21 LEU A 169 -6.650 2.754 1.319 1.00 0.81 H new ATOM 0 HD22 LEU A 169 -5.249 1.994 0.527 1.00 0.81 H new ATOM 0 HD23 LEU A 169 -5.085 3.601 1.274 1.00 0.81 H new ATOM 252 N LEU A 170 -2.686 5.570 -2.669 1.00 0.46 N ATOM 253 CA LEU A 170 -1.597 5.776 -3.617 1.00 0.47 C ATOM 254 C LEU A 170 -0.357 6.315 -2.913 1.00 0.38 C ATOM 255 O LEU A 170 0.743 5.792 -3.083 1.00 0.39 O ATOM 256 CB LEU A 170 -2.023 6.735 -4.731 1.00 0.60 C ATOM 257 CG LEU A 170 -3.013 6.161 -5.747 1.00 0.73 C ATOM 258 CD1 LEU A 170 -4.318 5.775 -5.068 1.00 0.88 C ATOM 259 CD2 LEU A 170 -3.268 7.163 -6.863 1.00 1.12 C ATOM 0 H LEU A 170 -3.523 6.121 -2.860 1.00 0.46 H new ATOM 0 HA LEU A 170 -1.353 4.810 -4.059 1.00 0.47 H new ATOM 0 HB2 LEU A 170 -2.468 7.620 -4.275 1.00 0.60 H new ATOM 0 HB3 LEU A 170 -1.131 7.065 -5.264 1.00 0.60 H new ATOM 0 HG LEU A 170 -2.576 5.262 -6.181 1.00 0.73 H new ATOM 0 HD11 LEU A 170 -5.007 5.369 -5.809 1.00 0.88 H new ATOM 0 HD12 LEU A 170 -4.122 5.023 -4.304 1.00 0.88 H new ATOM 0 HD13 LEU A 170 -4.761 6.656 -4.604 1.00 0.88 H new ATOM 0 HD21 LEU A 170 -3.974 6.740 -7.578 1.00 1.12 H new ATOM 0 HD22 LEU A 170 -3.683 8.079 -6.442 1.00 1.12 H new ATOM 0 HD23 LEU A 170 -2.330 7.389 -7.370 1.00 1.12 H new ATOM 271 N LEU A 171 -0.543 7.365 -2.120 1.00 0.36 N ATOM 272 CA LEU A 171 0.561 7.972 -1.389 1.00 0.37 C ATOM 273 C LEU A 171 1.241 6.945 -0.492 1.00 0.32 C ATOM 274 O LEU A 171 2.468 6.899 -0.402 1.00 0.35 O ATOM 275 CB LEU A 171 0.062 9.148 -0.548 1.00 0.44 C ATOM 276 CG LEU A 171 -0.619 10.265 -1.339 1.00 0.54 C ATOM 277 CD1 LEU A 171 -1.110 11.358 -0.402 1.00 0.64 C ATOM 278 CD2 LEU A 171 0.333 10.838 -2.378 1.00 0.62 C ATOM 0 H LEU A 171 -1.447 7.812 -1.968 1.00 0.36 H new ATOM 0 HA LEU A 171 1.288 8.339 -2.114 1.00 0.37 H new ATOM 0 HB2 LEU A 171 -0.639 8.771 0.197 1.00 0.44 H new ATOM 0 HB3 LEU A 171 0.907 9.571 -0.005 1.00 0.44 H new ATOM 0 HG LEU A 171 -1.481 9.845 -1.858 1.00 0.54 H new ATOM 0 HD11 LEU A 171 -1.592 12.145 -0.982 1.00 0.64 H new ATOM 0 HD12 LEU A 171 -1.826 10.937 0.304 1.00 0.64 H new ATOM 0 HD13 LEU A 171 -0.264 11.776 0.144 1.00 0.64 H new ATOM 0 HD21 LEU A 171 -0.168 11.632 -2.932 1.00 0.62 H new ATOM 0 HD22 LEU A 171 1.214 11.243 -1.880 1.00 0.62 H new ATOM 0 HD23 LEU A 171 0.636 10.050 -3.067 1.00 0.62 H new ATOM 290 N SER A 172 0.435 6.123 0.170 1.00 0.28 N ATOM 291 CA SER A 172 0.957 5.095 1.062 1.00 0.29 C ATOM 292 C SER A 172 1.860 4.126 0.307 1.00 0.25 C ATOM 293 O SER A 172 2.973 3.833 0.744 1.00 0.27 O ATOM 294 CB SER A 172 -0.194 4.331 1.722 1.00 0.35 C ATOM 295 OG SER A 172 -1.013 5.202 2.482 1.00 0.42 O ATOM 0 H SER A 172 -0.583 6.149 0.106 1.00 0.28 H new ATOM 0 HA SER A 172 1.549 5.586 1.835 1.00 0.29 H new ATOM 0 HB2 SER A 172 -0.794 3.838 0.957 1.00 0.35 H new ATOM 0 HB3 SER A 172 0.207 3.549 2.366 1.00 0.35 H new ATOM 0 HG SER A 172 -1.667 5.633 1.893 1.00 0.42 H new ATOM 301 N HIS A 173 1.377 3.630 -0.828 1.00 0.23 N ATOM 302 CA HIS A 173 2.148 2.694 -1.640 1.00 0.24 C ATOM 303 C HIS A 173 3.509 3.283 -1.999 1.00 0.22 C ATOM 304 O HIS A 173 4.543 2.651 -1.789 1.00 0.24 O ATOM 305 CB HIS A 173 1.384 2.334 -2.915 1.00 0.31 C ATOM 306 CG HIS A 173 0.124 1.565 -2.664 1.00 0.37 C ATOM 307 ND1 HIS A 173 -1.132 2.074 -2.919 1.00 0.42 N ATOM 308 CD2 HIS A 173 -0.069 0.314 -2.183 1.00 0.52 C ATOM 309 CE1 HIS A 173 -2.043 1.170 -2.605 1.00 0.48 C ATOM 310 NE2 HIS A 173 -1.424 0.094 -2.157 1.00 0.53 N ATOM 0 H HIS A 173 0.458 3.860 -1.206 1.00 0.23 H new ATOM 0 HA HIS A 173 2.303 1.788 -1.054 1.00 0.24 H new ATOM 0 HB2 HIS A 173 1.139 3.250 -3.452 1.00 0.31 H new ATOM 0 HB3 HIS A 173 2.034 1.748 -3.564 1.00 0.31 H new ATOM 0 HD2 HIS A 173 0.699 -0.381 -1.877 1.00 0.52 H new ATOM 0 HE1 HIS A 173 -3.112 1.291 -2.699 1.00 0.48 H new ATOM 0 HE2 HIS A 173 -1.879 -0.763 -1.842 1.00 0.53 H new ATOM 319 N LEU A 174 3.497 4.495 -2.542 1.00 0.22 N ATOM 320 CA LEU A 174 4.729 5.170 -2.929 1.00 0.26 C ATOM 321 C LEU A 174 5.696 5.255 -1.750 1.00 0.24 C ATOM 322 O LEU A 174 6.860 4.868 -1.859 1.00 0.29 O ATOM 323 CB LEU A 174 4.420 6.572 -3.458 1.00 0.31 C ATOM 324 CG LEU A 174 3.575 6.608 -4.733 1.00 0.36 C ATOM 325 CD1 LEU A 174 3.301 8.044 -5.151 1.00 0.42 C ATOM 326 CD2 LEU A 174 4.269 5.848 -5.853 1.00 0.42 C ATOM 0 H LEU A 174 2.648 5.030 -2.724 1.00 0.22 H new ATOM 0 HA LEU A 174 5.203 4.588 -3.720 1.00 0.26 H new ATOM 0 HB2 LEU A 174 3.901 7.132 -2.680 1.00 0.31 H new ATOM 0 HB3 LEU A 174 5.361 7.088 -3.649 1.00 0.31 H new ATOM 0 HG LEU A 174 2.621 6.123 -4.528 1.00 0.36 H new ATOM 0 HD11 LEU A 174 2.699 8.050 -6.060 1.00 0.42 H new ATOM 0 HD12 LEU A 174 2.762 8.558 -4.355 1.00 0.42 H new ATOM 0 HD13 LEU A 174 4.245 8.555 -5.338 1.00 0.42 H new ATOM 0 HD21 LEU A 174 3.654 5.884 -6.752 1.00 0.42 H new ATOM 0 HD22 LEU A 174 5.237 6.305 -6.057 1.00 0.42 H new ATOM 0 HD23 LEU A 174 4.413 4.810 -5.553 1.00 0.42 H new ATOM 338 N LEU A 175 5.205 5.762 -0.623 1.00 0.23 N ATOM 339 CA LEU A 175 6.028 5.893 0.574 1.00 0.27 C ATOM 340 C LEU A 175 6.608 4.543 0.983 1.00 0.24 C ATOM 341 O LEU A 175 7.788 4.444 1.322 1.00 0.27 O ATOM 342 CB LEU A 175 5.210 6.480 1.726 1.00 0.32 C ATOM 343 CG LEU A 175 4.776 7.935 1.537 1.00 0.37 C ATOM 344 CD1 LEU A 175 4.053 8.441 2.776 1.00 0.46 C ATOM 345 CD2 LEU A 175 5.979 8.813 1.225 1.00 0.46 C ATOM 0 H LEU A 175 4.245 6.088 -0.514 1.00 0.23 H new ATOM 0 HA LEU A 175 6.851 6.570 0.345 1.00 0.27 H new ATOM 0 HB2 LEU A 175 4.320 5.867 1.869 1.00 0.32 H new ATOM 0 HB3 LEU A 175 5.797 6.408 2.642 1.00 0.32 H new ATOM 0 HG LEU A 175 4.087 7.983 0.694 1.00 0.37 H new ATOM 0 HD11 LEU A 175 3.752 9.477 2.624 1.00 0.46 H new ATOM 0 HD12 LEU A 175 3.169 7.829 2.957 1.00 0.46 H new ATOM 0 HD13 LEU A 175 4.719 8.380 3.637 1.00 0.46 H new ATOM 0 HD21 LEU A 175 5.652 9.845 1.094 1.00 0.46 H new ATOM 0 HD22 LEU A 175 6.691 8.760 2.048 1.00 0.46 H new ATOM 0 HD23 LEU A 175 6.456 8.464 0.309 1.00 0.46 H new ATOM 357 N ALA A 176 5.777 3.506 0.943 1.00 0.21 N ATOM 358 CA ALA A 176 6.215 2.165 1.311 1.00 0.21 C ATOM 359 C ALA A 176 7.483 1.786 0.556 1.00 0.19 C ATOM 360 O ALA A 176 8.475 1.365 1.155 1.00 0.21 O ATOM 361 CB ALA A 176 5.111 1.155 1.038 1.00 0.21 C ATOM 0 H ALA A 176 4.799 3.569 0.660 1.00 0.21 H new ATOM 0 HA ALA A 176 6.438 2.157 2.378 1.00 0.21 H new ATOM 0 HB1 ALA A 176 5.452 0.158 1.318 1.00 0.21 H new ATOM 0 HB2 ALA A 176 4.228 1.414 1.623 1.00 0.21 H new ATOM 0 HB3 ALA A 176 4.860 1.168 -0.023 1.00 0.21 H new ATOM 367 N ILE A 177 7.444 1.940 -0.764 1.00 0.18 N ATOM 368 CA ILE A 177 8.593 1.624 -1.602 1.00 0.20 C ATOM 369 C ILE A 177 9.814 2.416 -1.152 1.00 0.21 C ATOM 370 O ILE A 177 10.925 1.888 -1.099 1.00 0.23 O ATOM 371 CB ILE A 177 8.306 1.925 -3.085 1.00 0.23 C ATOM 372 CG1 ILE A 177 7.085 1.134 -3.557 1.00 0.25 C ATOM 373 CG2 ILE A 177 9.521 1.594 -3.939 1.00 0.27 C ATOM 374 CD1 ILE A 177 6.756 1.346 -5.018 1.00 0.47 C ATOM 0 H ILE A 177 6.630 2.281 -1.275 1.00 0.18 H new ATOM 0 HA ILE A 177 8.792 0.557 -1.496 1.00 0.20 H new ATOM 0 HB ILE A 177 8.093 2.989 -3.191 1.00 0.23 H new ATOM 0 HG12 ILE A 177 7.260 0.072 -3.383 1.00 0.25 H new ATOM 0 HG13 ILE A 177 6.223 1.418 -2.954 1.00 0.25 H new ATOM 0 HG21 ILE A 177 9.302 1.812 -4.984 1.00 0.27 H new ATOM 0 HG22 ILE A 177 10.370 2.195 -3.613 1.00 0.27 H new ATOM 0 HG23 ILE A 177 9.763 0.537 -3.832 1.00 0.27 H new ATOM 0 HD11 ILE A 177 5.880 0.755 -5.283 1.00 0.47 H new ATOM 0 HD12 ILE A 177 6.549 2.401 -5.195 1.00 0.47 H new ATOM 0 HD13 ILE A 177 7.602 1.035 -5.630 1.00 0.47 H new ATOM 386 N GLY A 178 9.599 3.687 -0.830 1.00 0.20 N ATOM 387 CA GLY A 178 10.689 4.530 -0.378 1.00 0.23 C ATOM 388 C GLY A 178 11.308 4.021 0.908 1.00 0.22 C ATOM 389 O GLY A 178 12.531 3.995 1.049 1.00 0.23 O ATOM 0 H GLY A 178 8.690 4.148 -0.874 1.00 0.20 H new ATOM 0 HA2 GLY A 178 11.454 4.580 -1.153 1.00 0.23 H new ATOM 0 HA3 GLY A 178 10.323 5.545 -0.226 1.00 0.23 H new ATOM 393 N LEU A 179 10.460 3.610 1.848 1.00 0.21 N ATOM 394 CA LEU A 179 10.934 3.095 3.128 1.00 0.23 C ATOM 395 C LEU A 179 11.907 1.942 2.916 1.00 0.21 C ATOM 396 O LEU A 179 12.999 1.925 3.482 1.00 0.24 O ATOM 397 CB LEU A 179 9.758 2.629 3.989 1.00 0.27 C ATOM 398 CG LEU A 179 8.723 3.706 4.316 1.00 0.30 C ATOM 399 CD1 LEU A 179 7.690 3.175 5.299 1.00 0.36 C ATOM 400 CD2 LEU A 179 9.403 4.948 4.874 1.00 0.36 C ATOM 0 H LEU A 179 9.445 3.624 1.747 1.00 0.21 H new ATOM 0 HA LEU A 179 11.452 3.902 3.645 1.00 0.23 H new ATOM 0 HB2 LEU A 179 9.256 1.809 3.476 1.00 0.27 H new ATOM 0 HB3 LEU A 179 10.149 2.228 4.924 1.00 0.27 H new ATOM 0 HG LEU A 179 8.210 3.980 3.394 1.00 0.30 H new ATOM 0 HD11 LEU A 179 6.962 3.956 5.519 1.00 0.36 H new ATOM 0 HD12 LEU A 179 7.180 2.316 4.862 1.00 0.36 H new ATOM 0 HD13 LEU A 179 8.187 2.872 6.221 1.00 0.36 H new ATOM 0 HD21 LEU A 179 8.651 5.704 5.101 1.00 0.36 H new ATOM 0 HD22 LEU A 179 9.943 4.689 5.784 1.00 0.36 H new ATOM 0 HD23 LEU A 179 10.102 5.342 4.137 1.00 0.36 H new ATOM 412 N GLY A 180 11.501 0.979 2.095 1.00 0.20 N ATOM 413 CA GLY A 180 12.349 -0.164 1.821 1.00 0.23 C ATOM 414 C GLY A 180 13.701 0.240 1.267 1.00 0.24 C ATOM 415 O GLY A 180 14.740 -0.182 1.776 1.00 0.28 O ATOM 0 H GLY A 180 10.601 0.971 1.616 1.00 0.20 H new ATOM 0 HA2 GLY A 180 12.491 -0.736 2.738 1.00 0.23 H new ATOM 0 HA3 GLY A 180 11.849 -0.822 1.110 1.00 0.23 H new ATOM 419 N ILE A 181 13.688 1.056 0.220 1.00 0.26 N ATOM 420 CA ILE A 181 14.919 1.522 -0.405 1.00 0.32 C ATOM 421 C ILE A 181 15.755 2.346 0.571 1.00 0.33 C ATOM 422 O ILE A 181 16.973 2.185 0.649 1.00 0.34 O ATOM 423 CB ILE A 181 14.624 2.363 -1.662 1.00 0.41 C ATOM 424 CG1 ILE A 181 13.806 1.547 -2.664 1.00 0.47 C ATOM 425 CG2 ILE A 181 15.920 2.846 -2.298 1.00 0.52 C ATOM 426 CD1 ILE A 181 13.459 2.308 -3.926 1.00 0.90 C ATOM 0 H ILE A 181 12.836 1.409 -0.215 1.00 0.26 H new ATOM 0 HA ILE A 181 15.484 0.637 -0.697 1.00 0.32 H new ATOM 0 HB ILE A 181 14.042 3.236 -1.367 1.00 0.41 H new ATOM 0 HG12 ILE A 181 14.365 0.651 -2.932 1.00 0.47 H new ATOM 0 HG13 ILE A 181 12.885 1.216 -2.184 1.00 0.47 H new ATOM 0 HG21 ILE A 181 15.692 3.438 -3.184 1.00 0.52 H new ATOM 0 HG22 ILE A 181 16.469 3.459 -1.584 1.00 0.52 H new ATOM 0 HG23 ILE A 181 16.528 1.987 -2.582 1.00 0.52 H new ATOM 0 HD11 ILE A 181 12.879 1.667 -4.590 1.00 0.90 H new ATOM 0 HD12 ILE A 181 12.872 3.190 -3.669 1.00 0.90 H new ATOM 0 HD13 ILE A 181 14.376 2.616 -4.429 1.00 0.90 H new ATOM 438 N TYR A 182 15.094 3.232 1.312 1.00 0.35 N ATOM 439 CA TYR A 182 15.781 4.080 2.280 1.00 0.42 C ATOM 440 C TYR A 182 16.589 3.236 3.263 1.00 0.40 C ATOM 441 O TYR A 182 17.779 3.470 3.467 1.00 0.46 O ATOM 442 CB TYR A 182 14.772 4.944 3.040 1.00 0.49 C ATOM 443 CG TYR A 182 15.411 5.982 3.936 1.00 0.62 C ATOM 444 CD1 TYR A 182 15.948 7.148 3.406 1.00 1.34 C ATOM 445 CD2 TYR A 182 15.475 5.796 5.311 1.00 1.16 C ATOM 446 CE1 TYR A 182 16.532 8.099 4.221 1.00 1.44 C ATOM 447 CE2 TYR A 182 16.058 6.743 6.133 1.00 1.25 C ATOM 448 CZ TYR A 182 16.584 7.892 5.582 1.00 0.93 C ATOM 449 OH TYR A 182 17.165 8.838 6.396 1.00 1.09 O ATOM 0 H TYR A 182 14.086 3.381 1.260 1.00 0.35 H new ATOM 0 HA TYR A 182 16.467 4.730 1.736 1.00 0.42 H new ATOM 0 HB2 TYR A 182 14.124 5.447 2.322 1.00 0.49 H new ATOM 0 HB3 TYR A 182 14.136 4.297 3.645 1.00 0.49 H new ATOM 0 HD1 TYR A 182 15.909 7.314 2.340 1.00 1.34 H new ATOM 0 HD2 TYR A 182 15.063 4.897 5.745 1.00 1.16 H new ATOM 0 HE1 TYR A 182 16.946 9.000 3.793 1.00 1.44 H new ATOM 0 HE2 TYR A 182 16.101 6.583 7.200 1.00 1.25 H new ATOM 0 HH TYR A 182 17.119 8.540 7.328 1.00 1.09 H new ATOM 459 N ILE A 183 15.930 2.259 3.875 1.00 0.36 N ATOM 460 CA ILE A 183 16.586 1.377 4.832 1.00 0.42 C ATOM 461 C ILE A 183 17.692 0.564 4.161 1.00 0.41 C ATOM 462 O ILE A 183 18.813 0.486 4.666 1.00 0.46 O ATOM 463 CB ILE A 183 15.581 0.411 5.490 1.00 0.47 C ATOM 464 CG1 ILE A 183 14.463 1.196 6.179 1.00 0.56 C ATOM 465 CG2 ILE A 183 16.288 -0.494 6.488 1.00 0.58 C ATOM 466 CD1 ILE A 183 13.405 0.314 6.806 1.00 0.80 C ATOM 0 H ILE A 183 14.941 2.058 3.725 1.00 0.36 H new ATOM 0 HA ILE A 183 17.021 2.014 5.602 1.00 0.42 H new ATOM 0 HB ILE A 183 15.139 -0.213 4.713 1.00 0.47 H new ATOM 0 HG12 ILE A 183 14.898 1.832 6.950 1.00 0.56 H new ATOM 0 HG13 ILE A 183 13.991 1.855 5.451 1.00 0.56 H new ATOM 0 HG21 ILE A 183 15.564 -1.170 6.943 1.00 0.58 H new ATOM 0 HG22 ILE A 183 17.053 -1.075 5.973 1.00 0.58 H new ATOM 0 HG23 ILE A 183 16.754 0.114 7.263 1.00 0.58 H new ATOM 0 HD11 ILE A 183 12.644 0.937 7.276 1.00 0.80 H new ATOM 0 HD12 ILE A 183 12.943 -0.304 6.036 1.00 0.80 H new ATOM 0 HD13 ILE A 183 13.865 -0.327 7.558 1.00 0.80 H new ATOM 478 N GLY A 184 17.367 -0.037 3.021 1.00 0.39 N ATOM 479 CA GLY A 184 18.335 -0.846 2.299 1.00 0.46 C ATOM 480 C GLY A 184 19.542 -0.057 1.828 1.00 0.50 C ATOM 481 O GLY A 184 20.682 -0.443 2.087 1.00 0.55 O ATOM 0 H GLY A 184 16.448 0.021 2.582 1.00 0.39 H new ATOM 0 HA2 GLY A 184 18.670 -1.660 2.942 1.00 0.46 H new ATOM 0 HA3 GLY A 184 17.847 -1.301 1.437 1.00 0.46 H new ATOM 485 N ARG A 185 19.296 1.047 1.132 1.00 0.53 N ATOM 486 CA ARG A 185 20.378 1.881 0.620 1.00 0.65 C ATOM 487 C ARG A 185 21.269 2.396 1.750 1.00 0.67 C ATOM 488 O ARG A 185 22.396 2.830 1.511 1.00 0.76 O ATOM 489 CB ARG A 185 19.812 3.057 -0.178 1.00 0.76 C ATOM 490 CG ARG A 185 19.090 4.081 0.675 1.00 0.72 C ATOM 491 CD ARG A 185 19.855 5.393 0.739 1.00 0.81 C ATOM 492 NE ARG A 185 20.092 5.954 -0.588 1.00 1.27 N ATOM 493 CZ ARG A 185 20.764 7.081 -0.802 1.00 1.59 C ATOM 494 NH1 ARG A 185 21.262 7.761 0.221 1.00 1.66 N ATOM 495 NH2 ARG A 185 20.940 7.526 -2.037 1.00 2.24 N ATOM 0 H ARG A 185 18.360 1.385 0.909 1.00 0.53 H new ATOM 0 HA ARG A 185 20.990 1.263 -0.038 1.00 0.65 H new ATOM 0 HB2 ARG A 185 20.626 3.549 -0.710 1.00 0.76 H new ATOM 0 HB3 ARG A 185 19.124 2.675 -0.932 1.00 0.76 H new ATOM 0 HG2 ARG A 185 18.095 4.259 0.267 1.00 0.72 H new ATOM 0 HG3 ARG A 185 18.956 3.687 1.683 1.00 0.72 H new ATOM 0 HD2 ARG A 185 19.296 6.110 1.341 1.00 0.81 H new ATOM 0 HD3 ARG A 185 20.809 5.232 1.240 1.00 0.81 H new ATOM 0 HE ARG A 185 19.721 5.453 -1.396 1.00 1.27 H new ATOM 0 HH11 ARG A 185 21.130 7.420 1.173 1.00 1.66 H new ATOM 0 HH12 ARG A 185 21.777 8.626 0.056 1.00 1.66 H new ATOM 0 HH21 ARG A 185 20.560 7.004 -2.826 1.00 2.24 H new ATOM 0 HH22 ARG A 185 21.456 8.391 -2.199 1.00 2.24 H new ATOM 509 N ARG A 186 20.764 2.347 2.981 1.00 0.63 N ATOM 510 CA ARG A 186 21.528 2.813 4.134 1.00 0.73 C ATOM 511 C ARG A 186 21.870 1.661 5.075 1.00 0.74 C ATOM 512 O ARG A 186 21.743 1.784 6.293 1.00 0.86 O ATOM 513 CB ARG A 186 20.748 3.887 4.892 1.00 0.81 C ATOM 514 CG ARG A 186 20.550 5.169 4.099 1.00 1.80 C ATOM 515 CD ARG A 186 19.879 6.245 4.938 1.00 2.20 C ATOM 516 NE ARG A 186 19.748 7.505 4.212 1.00 2.90 N ATOM 517 CZ ARG A 186 20.713 8.417 4.135 1.00 3.61 C ATOM 518 NH1 ARG A 186 21.885 8.198 4.714 1.00 3.86 N ATOM 519 NH2 ARG A 186 20.509 9.545 3.469 1.00 4.48 N ATOM 0 H ARG A 186 19.834 1.991 3.204 1.00 0.63 H new ATOM 0 HA ARG A 186 22.460 3.240 3.763 1.00 0.73 H new ATOM 0 HB2 ARG A 186 19.773 3.488 5.170 1.00 0.81 H new ATOM 0 HB3 ARG A 186 21.273 4.120 5.818 1.00 0.81 H new ATOM 0 HG2 ARG A 186 21.515 5.531 3.744 1.00 1.80 H new ATOM 0 HG3 ARG A 186 19.943 4.963 3.217 1.00 1.80 H new ATOM 0 HD2 ARG A 186 18.892 5.901 5.247 1.00 2.20 H new ATOM 0 HD3 ARG A 186 20.458 6.409 5.847 1.00 2.20 H new ATOM 0 HE ARG A 186 18.866 7.697 3.737 1.00 2.90 H new ATOM 0 HH11 ARG A 186 22.049 7.328 5.220 1.00 3.86 H new ATOM 0 HH12 ARG A 186 22.623 8.899 4.653 1.00 3.86 H new ATOM 0 HH21 ARG A 186 19.611 9.714 3.015 1.00 4.48 H new ATOM 0 HH22 ARG A 186 21.250 10.244 3.411 1.00 4.48 H new ATOM 533 N LEU A 187 22.306 0.544 4.503 1.00 0.73 N ATOM 534 CA LEU A 187 22.672 -0.625 5.293 1.00 0.84 C ATOM 535 C LEU A 187 24.115 -0.520 5.778 1.00 1.03 C ATOM 536 O LEU A 187 24.471 -1.067 6.821 1.00 1.21 O ATOM 537 CB LEU A 187 22.491 -1.902 4.471 1.00 0.83 C ATOM 538 CG LEU A 187 21.042 -2.358 4.293 1.00 0.78 C ATOM 539 CD1 LEU A 187 20.952 -3.444 3.231 1.00 0.90 C ATOM 540 CD2 LEU A 187 20.476 -2.856 5.614 1.00 0.98 C ATOM 0 H LEU A 187 22.414 0.424 3.496 1.00 0.73 H new ATOM 0 HA LEU A 187 22.015 -0.666 6.162 1.00 0.84 H new ATOM 0 HB2 LEU A 187 22.931 -1.747 3.486 1.00 0.83 H new ATOM 0 HB3 LEU A 187 23.053 -2.705 4.948 1.00 0.83 H new ATOM 0 HG LEU A 187 20.449 -1.505 3.963 1.00 0.78 H new ATOM 0 HD11 LEU A 187 19.914 -3.757 3.117 1.00 0.90 H new ATOM 0 HD12 LEU A 187 21.320 -3.056 2.281 1.00 0.90 H new ATOM 0 HD13 LEU A 187 21.557 -4.299 3.532 1.00 0.90 H new ATOM 0 HD21 LEU A 187 19.444 -3.177 5.470 1.00 0.98 H new ATOM 0 HD22 LEU A 187 21.071 -3.697 5.971 1.00 0.98 H new ATOM 0 HD23 LEU A 187 20.507 -2.052 6.349 1.00 0.98 H new ATOM 789 N SER B 168 -6.092 -6.882 1.142 1.00 0.84 N ATOM 790 CA SER B 168 -5.207 -6.432 0.074 1.00 0.77 C ATOM 791 C SER B 168 -4.335 -5.267 0.536 1.00 0.60 C ATOM 792 O SER B 168 -3.141 -5.218 0.241 1.00 0.54 O ATOM 793 CB SER B 168 -6.026 -6.015 -1.150 1.00 0.90 C ATOM 794 OG SER B 168 -6.795 -7.100 -1.642 1.00 1.54 O ATOM 0 HA SER B 168 -4.555 -7.263 -0.195 1.00 0.77 H new ATOM 0 HB2 SER B 168 -6.685 -5.188 -0.886 1.00 0.90 H new ATOM 0 HB3 SER B 168 -5.359 -5.654 -1.932 1.00 0.90 H new ATOM 0 HG SER B 168 -7.002 -7.714 -0.907 1.00 1.54 H new ATOM 800 N LEU B 169 -4.939 -4.332 1.263 1.00 0.60 N ATOM 801 CA LEU B 169 -4.217 -3.165 1.763 1.00 0.52 C ATOM 802 C LEU B 169 -2.958 -3.579 2.517 1.00 0.44 C ATOM 803 O LEU B 169 -1.871 -3.061 2.262 1.00 0.37 O ATOM 804 CB LEU B 169 -5.118 -2.335 2.678 1.00 0.63 C ATOM 805 CG LEU B 169 -6.352 -1.735 2.002 1.00 0.72 C ATOM 806 CD1 LEU B 169 -7.203 -0.981 3.013 1.00 0.86 C ATOM 807 CD2 LEU B 169 -5.937 -0.818 0.861 1.00 0.76 C ATOM 0 H LEU B 169 -5.926 -4.359 1.519 1.00 0.60 H new ATOM 0 HA LEU B 169 -3.922 -2.561 0.905 1.00 0.52 H new ATOM 0 HB2 LEU B 169 -5.446 -2.963 3.506 1.00 0.63 H new ATOM 0 HB3 LEU B 169 -4.527 -1.525 3.106 1.00 0.63 H new ATOM 0 HG LEU B 169 -6.951 -2.548 1.591 1.00 0.72 H new ATOM 0 HD11 LEU B 169 -8.076 -0.562 2.513 1.00 0.86 H new ATOM 0 HD12 LEU B 169 -7.528 -1.665 3.797 1.00 0.86 H new ATOM 0 HD13 LEU B 169 -6.616 -0.176 3.454 1.00 0.86 H new ATOM 0 HD21 LEU B 169 -6.826 -0.399 0.390 1.00 0.76 H new ATOM 0 HD22 LEU B 169 -5.317 -0.010 1.250 1.00 0.76 H new ATOM 0 HD23 LEU B 169 -5.370 -1.387 0.124 1.00 0.76 H new ATOM 819 N LEU B 170 -3.112 -4.517 3.445 1.00 0.51 N ATOM 820 CA LEU B 170 -1.988 -4.997 4.243 1.00 0.52 C ATOM 821 C LEU B 170 -0.925 -5.645 3.362 1.00 0.44 C ATOM 822 O LEU B 170 0.253 -5.298 3.439 1.00 0.40 O ATOM 823 CB LEU B 170 -2.472 -5.992 5.300 1.00 0.67 C ATOM 824 CG LEU B 170 -3.262 -5.381 6.460 1.00 0.80 C ATOM 825 CD1 LEU B 170 -4.542 -4.729 5.961 1.00 0.86 C ATOM 826 CD2 LEU B 170 -3.576 -6.441 7.505 1.00 0.93 C ATOM 0 H LEU B 170 -4.004 -4.961 3.664 1.00 0.51 H new ATOM 0 HA LEU B 170 -1.540 -4.138 4.742 1.00 0.52 H new ATOM 0 HB2 LEU B 170 -3.096 -6.741 4.812 1.00 0.67 H new ATOM 0 HB3 LEU B 170 -1.606 -6.514 5.707 1.00 0.67 H new ATOM 0 HG LEU B 170 -2.646 -4.609 6.922 1.00 0.80 H new ATOM 0 HD11 LEU B 170 -5.086 -4.302 6.804 1.00 0.86 H new ATOM 0 HD12 LEU B 170 -4.295 -3.939 5.251 1.00 0.86 H new ATOM 0 HD13 LEU B 170 -5.164 -5.477 5.470 1.00 0.86 H new ATOM 0 HD21 LEU B 170 -4.138 -5.990 8.323 1.00 0.93 H new ATOM 0 HD22 LEU B 170 -4.169 -7.235 7.051 1.00 0.93 H new ATOM 0 HD23 LEU B 170 -2.646 -6.859 7.891 1.00 0.93 H new ATOM 838 N LEU B 171 -1.347 -6.587 2.527 1.00 0.45 N ATOM 839 CA LEU B 171 -0.427 -7.282 1.634 1.00 0.45 C ATOM 840 C LEU B 171 0.302 -6.297 0.727 1.00 0.37 C ATOM 841 O LEU B 171 1.511 -6.405 0.521 1.00 0.38 O ATOM 842 CB LEU B 171 -1.182 -8.308 0.788 1.00 0.54 C ATOM 843 CG LEU B 171 -1.887 -9.407 1.581 1.00 0.65 C ATOM 844 CD1 LEU B 171 -2.617 -10.355 0.645 1.00 0.74 C ATOM 845 CD2 LEU B 171 -0.887 -10.167 2.440 1.00 0.74 C ATOM 0 H LEU B 171 -2.319 -6.887 2.449 1.00 0.45 H new ATOM 0 HA LEU B 171 0.312 -7.798 2.247 1.00 0.45 H new ATOM 0 HB2 LEU B 171 -1.923 -7.784 0.185 1.00 0.54 H new ATOM 0 HB3 LEU B 171 -0.480 -8.774 0.097 1.00 0.54 H new ATOM 0 HG LEU B 171 -2.622 -8.942 2.238 1.00 0.65 H new ATOM 0 HD11 LEU B 171 -3.113 -11.131 1.228 1.00 0.74 H new ATOM 0 HD12 LEU B 171 -3.360 -9.800 0.072 1.00 0.74 H new ATOM 0 HD13 LEU B 171 -1.902 -10.815 -0.037 1.00 0.74 H new ATOM 0 HD21 LEU B 171 -1.405 -10.946 2.999 1.00 0.74 H new ATOM 0 HD22 LEU B 171 -0.130 -10.621 1.801 1.00 0.74 H new ATOM 0 HD23 LEU B 171 -0.409 -9.479 3.137 1.00 0.74 H new ATOM 857 N SER B 172 -0.440 -5.337 0.187 1.00 0.32 N ATOM 858 CA SER B 172 0.136 -4.335 -0.701 1.00 0.31 C ATOM 859 C SER B 172 1.268 -3.579 -0.012 1.00 0.26 C ATOM 860 O SER B 172 2.352 -3.420 -0.574 1.00 0.30 O ATOM 861 CB SER B 172 -0.941 -3.354 -1.167 1.00 0.33 C ATOM 862 OG SER B 172 -1.973 -4.025 -1.870 1.00 0.40 O ATOM 0 H SER B 172 -1.442 -5.232 0.349 1.00 0.32 H new ATOM 0 HA SER B 172 0.546 -4.851 -1.569 1.00 0.31 H new ATOM 0 HB2 SER B 172 -1.362 -2.835 -0.306 1.00 0.33 H new ATOM 0 HB3 SER B 172 -0.493 -2.595 -1.809 1.00 0.33 H new ATOM 0 HG SER B 172 -2.442 -4.633 -1.261 1.00 0.40 H new ATOM 868 N HIS B 173 1.010 -3.113 1.206 1.00 0.22 N ATOM 869 CA HIS B 173 2.012 -2.371 1.967 1.00 0.23 C ATOM 870 C HIS B 173 3.255 -3.221 2.205 1.00 0.23 C ATOM 871 O HIS B 173 4.374 -2.794 1.921 1.00 0.25 O ATOM 872 CB HIS B 173 1.433 -1.908 3.304 1.00 0.28 C ATOM 873 CG HIS B 173 0.349 -0.884 3.165 1.00 0.28 C ATOM 874 ND1 HIS B 173 -0.928 -1.068 3.651 1.00 0.34 N ATOM 875 CD2 HIS B 173 0.359 0.346 2.598 1.00 0.36 C ATOM 876 CE1 HIS B 173 -1.656 0.002 3.387 1.00 0.35 C ATOM 877 NE2 HIS B 173 -0.898 0.875 2.749 1.00 0.36 N ATOM 0 H HIS B 173 0.119 -3.235 1.687 1.00 0.22 H new ATOM 0 HA HIS B 173 2.298 -1.496 1.383 1.00 0.23 H new ATOM 0 HB2 HIS B 173 1.039 -2.772 3.839 1.00 0.28 H new ATOM 0 HB3 HIS B 173 2.236 -1.495 3.915 1.00 0.28 H new ATOM 0 HD1 HIS B 173 -1.259 -1.901 4.138 1.00 0.34 H new ATOM 0 HD2 HIS B 173 1.200 0.822 2.116 1.00 0.36 H new ATOM 0 HE1 HIS B 173 -2.695 0.140 3.649 1.00 0.35 H new ATOM 886 N LEU B 174 3.053 -4.425 2.732 1.00 0.24 N ATOM 887 CA LEU B 174 4.160 -5.333 3.006 1.00 0.27 C ATOM 888 C LEU B 174 5.024 -5.524 1.764 1.00 0.23 C ATOM 889 O LEU B 174 6.243 -5.360 1.813 1.00 0.24 O ATOM 890 CB LEU B 174 3.630 -6.685 3.489 1.00 0.33 C ATOM 891 CG LEU B 174 2.868 -6.648 4.815 1.00 0.40 C ATOM 892 CD1 LEU B 174 2.263 -8.010 5.119 1.00 0.48 C ATOM 893 CD2 LEU B 174 3.788 -6.207 5.943 1.00 0.47 C ATOM 0 H LEU B 174 2.134 -4.793 2.977 1.00 0.24 H new ATOM 0 HA LEU B 174 4.776 -4.892 3.790 1.00 0.27 H new ATOM 0 HB2 LEU B 174 2.973 -7.095 2.722 1.00 0.33 H new ATOM 0 HB3 LEU B 174 4.470 -7.372 3.590 1.00 0.33 H new ATOM 0 HG LEU B 174 2.057 -5.924 4.729 1.00 0.40 H new ATOM 0 HD11 LEU B 174 1.725 -7.966 6.066 1.00 0.48 H new ATOM 0 HD12 LEU B 174 1.573 -8.288 4.322 1.00 0.48 H new ATOM 0 HD13 LEU B 174 3.057 -8.754 5.188 1.00 0.48 H new ATOM 0 HD21 LEU B 174 3.231 -6.186 6.880 1.00 0.47 H new ATOM 0 HD22 LEU B 174 4.618 -6.908 6.030 1.00 0.47 H new ATOM 0 HD23 LEU B 174 4.175 -5.211 5.728 1.00 0.47 H new ATOM 905 N LEU B 175 4.385 -5.871 0.651 1.00 0.22 N ATOM 906 CA LEU B 175 5.095 -6.086 -0.605 1.00 0.23 C ATOM 907 C LEU B 175 5.787 -4.807 -1.067 1.00 0.21 C ATOM 908 O LEU B 175 6.960 -4.826 -1.438 1.00 0.23 O ATOM 909 CB LEU B 175 4.129 -6.576 -1.685 1.00 0.27 C ATOM 910 CG LEU B 175 3.457 -7.919 -1.393 1.00 0.32 C ATOM 911 CD1 LEU B 175 2.520 -8.304 -2.527 1.00 0.38 C ATOM 912 CD2 LEU B 175 4.504 -9.002 -1.174 1.00 0.38 C ATOM 0 H LEU B 175 3.376 -6.009 0.593 1.00 0.22 H new ATOM 0 HA LEU B 175 5.856 -6.848 -0.436 1.00 0.23 H new ATOM 0 HB2 LEU B 175 3.354 -5.823 -1.826 1.00 0.27 H new ATOM 0 HB3 LEU B 175 4.672 -6.656 -2.627 1.00 0.27 H new ATOM 0 HG LEU B 175 2.869 -7.819 -0.481 1.00 0.32 H new ATOM 0 HD11 LEU B 175 2.051 -9.262 -2.302 1.00 0.38 H new ATOM 0 HD12 LEU B 175 1.750 -7.540 -2.638 1.00 0.38 H new ATOM 0 HD13 LEU B 175 3.086 -8.386 -3.455 1.00 0.38 H new ATOM 0 HD21 LEU B 175 4.009 -9.951 -0.967 1.00 0.38 H new ATOM 0 HD22 LEU B 175 5.118 -9.101 -2.069 1.00 0.38 H new ATOM 0 HD23 LEU B 175 5.136 -8.731 -0.328 1.00 0.38 H new ATOM 924 N ALA B 176 5.055 -3.696 -1.045 1.00 0.21 N ATOM 925 CA ALA B 176 5.609 -2.414 -1.466 1.00 0.23 C ATOM 926 C ALA B 176 6.919 -2.124 -0.741 1.00 0.22 C ATOM 927 O ALA B 176 7.939 -1.835 -1.371 1.00 0.24 O ATOM 928 CB ALA B 176 4.605 -1.297 -1.216 1.00 0.26 C ATOM 0 H ALA B 176 4.082 -3.658 -0.742 1.00 0.21 H new ATOM 0 HA ALA B 176 5.817 -2.466 -2.535 1.00 0.23 H new ATOM 0 HB1 ALA B 176 5.032 -0.346 -1.535 1.00 0.26 H new ATOM 0 HB2 ALA B 176 3.694 -1.494 -1.781 1.00 0.26 H new ATOM 0 HB3 ALA B 176 4.370 -1.251 -0.153 1.00 0.26 H new ATOM 934 N ILE B 177 6.886 -2.208 0.585 1.00 0.20 N ATOM 935 CA ILE B 177 8.073 -1.962 1.390 1.00 0.21 C ATOM 936 C ILE B 177 9.170 -2.960 1.041 1.00 0.21 C ATOM 937 O ILE B 177 10.342 -2.599 0.936 1.00 0.22 O ATOM 938 CB ILE B 177 7.764 -2.050 2.897 1.00 0.22 C ATOM 939 CG1 ILE B 177 6.645 -1.074 3.267 1.00 0.24 C ATOM 940 CG2 ILE B 177 9.015 -1.762 3.711 1.00 0.25 C ATOM 941 CD1 ILE B 177 6.237 -1.143 4.723 1.00 0.29 C ATOM 0 H ILE B 177 6.052 -2.444 1.122 1.00 0.20 H new ATOM 0 HA ILE B 177 8.413 -0.951 1.165 1.00 0.21 H new ATOM 0 HB ILE B 177 7.430 -3.062 3.127 1.00 0.22 H new ATOM 0 HG12 ILE B 177 6.969 -0.059 3.037 1.00 0.24 H new ATOM 0 HG13 ILE B 177 5.774 -1.280 2.644 1.00 0.24 H new ATOM 0 HG21 ILE B 177 8.781 -1.828 4.774 1.00 0.25 H new ATOM 0 HG22 ILE B 177 9.786 -2.491 3.463 1.00 0.25 H new ATOM 0 HG23 ILE B 177 9.376 -0.760 3.481 1.00 0.25 H new ATOM 0 HD11 ILE B 177 5.440 -0.424 4.912 1.00 0.29 H new ATOM 0 HD12 ILE B 177 5.882 -2.147 4.954 1.00 0.29 H new ATOM 0 HD13 ILE B 177 7.095 -0.908 5.353 1.00 0.29 H new ATOM 953 N GLY B 178 8.781 -4.218 0.863 1.00 0.21 N ATOM 954 CA GLY B 178 9.739 -5.249 0.514 1.00 0.23 C ATOM 955 C GLY B 178 10.441 -4.947 -0.794 1.00 0.23 C ATOM 956 O GLY B 178 11.662 -5.062 -0.892 1.00 0.26 O ATOM 0 H GLY B 178 7.818 -4.542 0.954 1.00 0.21 H new ATOM 0 HA2 GLY B 178 10.478 -5.342 1.310 1.00 0.23 H new ATOM 0 HA3 GLY B 178 9.228 -6.209 0.439 1.00 0.23 H new ATOM 960 N LEU B 179 9.665 -4.558 -1.802 1.00 0.21 N ATOM 961 CA LEU B 179 10.221 -4.229 -3.107 1.00 0.23 C ATOM 962 C LEU B 179 11.312 -3.175 -2.969 1.00 0.24 C ATOM 963 O LEU B 179 12.401 -3.317 -3.522 1.00 0.28 O ATOM 964 CB LEU B 179 9.121 -3.724 -4.045 1.00 0.25 C ATOM 965 CG LEU B 179 8.058 -4.760 -4.416 1.00 0.27 C ATOM 966 CD1 LEU B 179 6.997 -4.138 -5.310 1.00 0.34 C ATOM 967 CD2 LEU B 179 8.701 -5.957 -5.101 1.00 0.33 C ATOM 0 H LEU B 179 8.651 -4.464 -1.738 1.00 0.21 H new ATOM 0 HA LEU B 179 10.657 -5.133 -3.532 1.00 0.23 H new ATOM 0 HB2 LEU B 179 8.628 -2.872 -3.576 1.00 0.25 H new ATOM 0 HB3 LEU B 179 9.585 -3.359 -4.961 1.00 0.25 H new ATOM 0 HG LEU B 179 7.576 -5.104 -3.501 1.00 0.27 H new ATOM 0 HD11 LEU B 179 6.249 -4.889 -5.564 1.00 0.34 H new ATOM 0 HD12 LEU B 179 6.518 -3.312 -4.785 1.00 0.34 H new ATOM 0 HD13 LEU B 179 7.463 -3.766 -6.223 1.00 0.34 H new ATOM 0 HD21 LEU B 179 7.932 -6.685 -5.359 1.00 0.33 H new ATOM 0 HD22 LEU B 179 9.208 -5.628 -6.008 1.00 0.33 H new ATOM 0 HD23 LEU B 179 9.424 -6.416 -4.427 1.00 0.33 H new ATOM 979 N GLY B 180 11.010 -2.117 -2.221 1.00 0.23 N ATOM 980 CA GLY B 180 11.979 -1.057 -2.019 1.00 0.27 C ATOM 981 C GLY B 180 13.281 -1.573 -1.441 1.00 0.29 C ATOM 982 O GLY B 180 14.359 -1.259 -1.942 1.00 0.34 O ATOM 0 H GLY B 180 10.115 -1.976 -1.753 1.00 0.23 H new ATOM 0 HA2 GLY B 180 12.177 -0.562 -2.970 1.00 0.27 H new ATOM 0 HA3 GLY B 180 11.559 -0.306 -1.350 1.00 0.27 H new ATOM 986 N ILE B 181 13.180 -2.373 -0.385 1.00 0.27 N ATOM 987 CA ILE B 181 14.358 -2.936 0.262 1.00 0.32 C ATOM 988 C ILE B 181 15.181 -3.756 -0.725 1.00 0.37 C ATOM 989 O ILE B 181 16.397 -3.585 -0.829 1.00 0.44 O ATOM 990 CB ILE B 181 13.970 -3.835 1.449 1.00 0.34 C ATOM 991 CG1 ILE B 181 13.107 -3.059 2.443 1.00 0.32 C ATOM 992 CG2 ILE B 181 15.214 -4.380 2.131 1.00 0.42 C ATOM 993 CD1 ILE B 181 12.514 -3.928 3.528 1.00 0.67 C ATOM 0 H ILE B 181 12.294 -2.646 0.041 1.00 0.27 H new ATOM 0 HA ILE B 181 14.951 -2.098 0.627 1.00 0.32 H new ATOM 0 HB ILE B 181 13.389 -4.677 1.073 1.00 0.34 H new ATOM 0 HG12 ILE B 181 13.710 -2.277 2.903 1.00 0.32 H new ATOM 0 HG13 ILE B 181 12.300 -2.563 1.903 1.00 0.32 H new ATOM 0 HG21 ILE B 181 14.922 -5.014 2.968 1.00 0.42 H new ATOM 0 HG22 ILE B 181 15.793 -4.966 1.417 1.00 0.42 H new ATOM 0 HG23 ILE B 181 15.821 -3.552 2.497 1.00 0.42 H new ATOM 0 HD11 ILE B 181 11.913 -3.314 4.199 1.00 0.67 H new ATOM 0 HD12 ILE B 181 11.884 -4.695 3.077 1.00 0.67 H new ATOM 0 HD13 ILE B 181 13.316 -4.403 4.092 1.00 0.67 H new ATOM 1005 N TYR B 182 14.509 -4.646 -1.447 1.00 0.36 N ATOM 1006 CA TYR B 182 15.178 -5.496 -2.425 1.00 0.42 C ATOM 1007 C TYR B 182 16.032 -4.658 -3.372 1.00 0.45 C ATOM 1008 O TYR B 182 17.184 -4.991 -3.643 1.00 0.51 O ATOM 1009 CB TYR B 182 14.147 -6.303 -3.218 1.00 0.46 C ATOM 1010 CG TYR B 182 14.759 -7.334 -4.140 1.00 0.58 C ATOM 1011 CD1 TYR B 182 15.123 -8.588 -3.665 1.00 1.20 C ATOM 1012 CD2 TYR B 182 14.971 -7.053 -5.483 1.00 1.48 C ATOM 1013 CE1 TYR B 182 15.683 -9.533 -4.504 1.00 1.25 C ATOM 1014 CE2 TYR B 182 15.529 -7.994 -6.329 1.00 1.56 C ATOM 1015 CZ TYR B 182 15.883 -9.232 -5.834 1.00 0.83 C ATOM 1016 OH TYR B 182 16.438 -10.171 -6.674 1.00 0.97 O ATOM 0 H TYR B 182 13.503 -4.797 -1.374 1.00 0.36 H new ATOM 0 HA TYR B 182 15.831 -6.186 -1.891 1.00 0.42 H new ATOM 0 HB2 TYR B 182 13.477 -6.805 -2.520 1.00 0.46 H new ATOM 0 HB3 TYR B 182 13.538 -5.618 -3.807 1.00 0.46 H new ATOM 0 HD1 TYR B 182 14.966 -8.828 -2.624 1.00 1.20 H new ATOM 0 HD2 TYR B 182 14.696 -6.084 -5.873 1.00 1.48 H new ATOM 0 HE1 TYR B 182 15.963 -10.503 -4.119 1.00 1.25 H new ATOM 0 HE2 TYR B 182 15.687 -7.761 -7.372 1.00 1.56 H new ATOM 0 HH TYR B 182 16.509 -9.800 -7.578 1.00 0.97 H new ATOM 1026 N ILE B 183 15.456 -3.569 -3.873 1.00 0.44 N ATOM 1027 CA ILE B 183 16.167 -2.679 -4.782 1.00 0.50 C ATOM 1028 C ILE B 183 17.384 -2.066 -4.098 1.00 0.52 C ATOM 1029 O ILE B 183 18.493 -2.104 -4.631 1.00 0.59 O ATOM 1030 CB ILE B 183 15.251 -1.550 -5.292 1.00 0.55 C ATOM 1031 CG1 ILE B 183 14.024 -2.136 -5.992 1.00 0.59 C ATOM 1032 CG2 ILE B 183 16.011 -0.629 -6.235 1.00 0.64 C ATOM 1033 CD1 ILE B 183 13.013 -1.092 -6.410 1.00 0.83 C ATOM 0 H ILE B 183 14.499 -3.283 -3.664 1.00 0.44 H new ATOM 0 HA ILE B 183 16.493 -3.280 -5.631 1.00 0.50 H new ATOM 0 HB ILE B 183 14.916 -0.964 -4.436 1.00 0.55 H new ATOM 0 HG12 ILE B 183 14.348 -2.690 -6.873 1.00 0.59 H new ATOM 0 HG13 ILE B 183 13.542 -2.851 -5.325 1.00 0.59 H new ATOM 0 HG21 ILE B 183 15.347 0.162 -6.585 1.00 0.64 H new ATOM 0 HG22 ILE B 183 16.857 -0.187 -5.708 1.00 0.64 H new ATOM 0 HG23 ILE B 183 16.374 -1.201 -7.088 1.00 0.64 H new ATOM 0 HD11 ILE B 183 12.169 -1.578 -6.900 1.00 0.83 H new ATOM 0 HD12 ILE B 183 12.661 -0.554 -5.530 1.00 0.83 H new ATOM 0 HD13 ILE B 183 13.479 -0.390 -7.102 1.00 0.83 H new ATOM 1045 N GLY B 184 17.167 -1.498 -2.915 1.00 0.50 N ATOM 1046 CA GLY B 184 18.255 -0.886 -2.176 1.00 0.57 C ATOM 1047 C GLY B 184 19.385 -1.858 -1.897 1.00 0.62 C ATOM 1048 O GLY B 184 20.545 -1.572 -2.197 1.00 0.69 O ATOM 0 H GLY B 184 16.257 -1.451 -2.456 1.00 0.50 H new ATOM 0 HA2 GLY B 184 18.641 -0.037 -2.740 1.00 0.57 H new ATOM 0 HA3 GLY B 184 17.875 -0.495 -1.232 1.00 0.57 H new ATOM 1052 N ARG B 185 19.049 -3.011 -1.326 1.00 0.62 N ATOM 1053 CA ARG B 185 20.046 -4.027 -1.010 1.00 0.72 C ATOM 1054 C ARG B 185 20.827 -4.423 -2.258 1.00 0.79 C ATOM 1055 O ARG B 185 22.022 -4.713 -2.191 1.00 0.88 O ATOM 1056 CB ARG B 185 19.376 -5.264 -0.407 1.00 0.77 C ATOM 1057 CG ARG B 185 18.515 -6.029 -1.392 1.00 0.72 C ATOM 1058 CD ARG B 185 18.161 -7.412 -0.870 1.00 1.02 C ATOM 1059 NE ARG B 185 17.490 -7.356 0.425 1.00 1.43 N ATOM 1060 CZ ARG B 185 17.401 -8.393 1.253 1.00 2.03 C ATOM 1061 NH1 ARG B 185 17.937 -9.558 0.920 1.00 2.27 N ATOM 1062 NH2 ARG B 185 16.774 -8.264 2.415 1.00 2.56 N ATOM 0 H ARG B 185 18.094 -3.264 -1.073 1.00 0.62 H new ATOM 0 HA ARG B 185 20.738 -3.605 -0.281 1.00 0.72 H new ATOM 0 HB2 ARG B 185 20.146 -5.930 -0.017 1.00 0.77 H new ATOM 0 HB3 ARG B 185 18.761 -4.958 0.439 1.00 0.77 H new ATOM 0 HG2 ARG B 185 17.601 -5.469 -1.589 1.00 0.72 H new ATOM 0 HG3 ARG B 185 19.042 -6.122 -2.341 1.00 0.72 H new ATOM 0 HD2 ARG B 185 17.517 -7.917 -1.590 1.00 1.02 H new ATOM 0 HD3 ARG B 185 19.069 -8.009 -0.782 1.00 1.02 H new ATOM 0 HE ARG B 185 17.066 -6.473 0.711 1.00 1.43 H new ATOM 0 HH11 ARG B 185 18.419 -9.661 0.027 1.00 2.27 H new ATOM 0 HH12 ARG B 185 17.868 -10.352 1.557 1.00 2.27 H new ATOM 0 HH21 ARG B 185 16.360 -7.369 2.674 1.00 2.56 H new ATOM 0 HH22 ARG B 185 16.706 -9.060 3.049 1.00 2.56 H new