USER MOD reduce.3.24.130724 H: found=0, std=0, add=328, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 330 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 168 SER OG : rot -39:sc= 0.0211 USER MOD Single : A 172 SER OG : rot 80:sc= 0.272 USER MOD Single : A 173 HIS : no HE2:sc= -1.52 K(o=-1.5,f=-2.8!) 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 69:sc= 0.583 USER MOD Single : B 173 HIS : no HE2:sc= -1.76 K(o=-1.8,f=-3.8!) USER MOD Single : B 182 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 222 N SER A 168 -5.341 7.707 -1.673 1.00 0.76 N ATOM 223 CA SER A 168 -4.850 7.146 -0.419 1.00 0.70 C ATOM 224 C SER A 168 -3.915 5.965 -0.674 1.00 0.57 C ATOM 225 O SER A 168 -2.879 5.831 -0.023 1.00 0.51 O ATOM 226 CB SER A 168 -6.022 6.703 0.458 1.00 0.82 C ATOM 227 OG SER A 168 -6.750 5.654 -0.153 1.00 1.39 O ATOM 0 HA SER A 168 -4.288 7.923 0.100 1.00 0.70 H new ATOM 0 HB2 SER A 168 -5.650 6.374 1.428 1.00 0.82 H new ATOM 0 HB3 SER A 168 -6.683 7.550 0.641 1.00 0.82 H new ATOM 0 HG SER A 168 -6.818 5.821 -1.116 1.00 1.39 H new ATOM 233 N LEU A 169 -4.287 5.113 -1.625 1.00 0.58 N ATOM 234 CA LEU A 169 -3.480 3.944 -1.959 1.00 0.51 C ATOM 235 C LEU A 169 -2.097 4.348 -2.464 1.00 0.41 C ATOM 236 O LEU A 169 -1.087 3.785 -2.044 1.00 0.36 O ATOM 237 CB LEU A 169 -4.187 3.087 -3.013 1.00 0.64 C ATOM 238 CG LEU A 169 -5.526 2.490 -2.577 1.00 0.77 C ATOM 239 CD1 LEU A 169 -6.070 1.560 -3.649 1.00 1.07 C ATOM 240 CD2 LEU A 169 -5.376 1.753 -1.254 1.00 0.81 C ATOM 0 H LEU A 169 -5.140 5.210 -2.176 1.00 0.58 H new ATOM 0 HA LEU A 169 -3.354 3.360 -1.047 1.00 0.51 H new ATOM 0 HB2 LEU A 169 -4.351 3.696 -3.902 1.00 0.64 H new ATOM 0 HB3 LEU A 169 -3.522 2.273 -3.302 1.00 0.64 H new ATOM 0 HG LEU A 169 -6.237 3.304 -2.437 1.00 0.77 H new ATOM 0 HD11 LEU A 169 -7.023 1.145 -3.321 1.00 1.07 H new ATOM 0 HD12 LEU A 169 -6.216 2.117 -4.574 1.00 1.07 H new ATOM 0 HD13 LEU A 169 -5.361 0.750 -3.822 1.00 1.07 H new ATOM 0 HD21 LEU A 169 -6.338 1.335 -0.959 1.00 0.81 H new ATOM 0 HD22 LEU A 169 -4.650 0.948 -1.366 1.00 0.81 H new ATOM 0 HD23 LEU A 169 -5.032 2.448 -0.488 1.00 0.81 H new ATOM 252 N LEU A 170 -2.057 5.325 -3.365 1.00 0.46 N ATOM 253 CA LEU A 170 -0.792 5.794 -3.923 1.00 0.47 C ATOM 254 C LEU A 170 0.114 6.349 -2.828 1.00 0.38 C ATOM 255 O LEU A 170 1.270 5.949 -2.706 1.00 0.39 O ATOM 256 CB LEU A 170 -1.033 6.863 -4.992 1.00 0.60 C ATOM 257 CG LEU A 170 -1.620 6.353 -6.310 1.00 0.73 C ATOM 258 CD1 LEU A 170 -3.067 5.925 -6.126 1.00 0.88 C ATOM 259 CD2 LEU A 170 -1.513 7.422 -7.387 1.00 1.12 C ATOM 0 H LEU A 170 -2.882 5.806 -3.723 1.00 0.46 H new ATOM 0 HA LEU A 170 -0.297 4.940 -4.386 1.00 0.47 H new ATOM 0 HB2 LEU A 170 -1.705 7.617 -4.582 1.00 0.60 H new ATOM 0 HB3 LEU A 170 -0.087 7.361 -5.204 1.00 0.60 H new ATOM 0 HG LEU A 170 -1.045 5.482 -6.627 1.00 0.73 H new ATOM 0 HD11 LEU A 170 -3.464 5.566 -7.076 1.00 0.88 H new ATOM 0 HD12 LEU A 170 -3.119 5.126 -5.386 1.00 0.88 H new ATOM 0 HD13 LEU A 170 -3.657 6.775 -5.784 1.00 0.88 H new ATOM 0 HD21 LEU A 170 -1.935 7.044 -8.318 1.00 1.12 H new ATOM 0 HD22 LEU A 170 -2.062 8.310 -7.074 1.00 1.12 H new ATOM 0 HD23 LEU A 170 -0.465 7.679 -7.541 1.00 1.12 H new ATOM 271 N LEU A 171 -0.419 7.269 -2.031 1.00 0.36 N ATOM 272 CA LEU A 171 0.349 7.873 -0.950 1.00 0.37 C ATOM 273 C LEU A 171 0.979 6.802 -0.063 1.00 0.32 C ATOM 274 O LEU A 171 2.180 6.833 0.205 1.00 0.35 O ATOM 275 CB LEU A 171 -0.545 8.789 -0.112 1.00 0.44 C ATOM 276 CG LEU A 171 -1.077 10.020 -0.848 1.00 0.54 C ATOM 277 CD1 LEU A 171 -2.014 10.814 0.049 1.00 0.64 C ATOM 278 CD2 LEU A 171 0.074 10.893 -1.322 1.00 0.62 C ATOM 0 H LEU A 171 -1.376 7.611 -2.113 1.00 0.36 H new ATOM 0 HA LEU A 171 1.149 8.466 -1.393 1.00 0.37 H new ATOM 0 HB2 LEU A 171 -1.392 8.209 0.255 1.00 0.44 H new ATOM 0 HB3 LEU A 171 0.017 9.121 0.761 1.00 0.44 H new ATOM 0 HG LEU A 171 -1.638 9.685 -1.720 1.00 0.54 H new ATOM 0 HD11 LEU A 171 -2.383 11.686 -0.491 1.00 0.64 H new ATOM 0 HD12 LEU A 171 -2.855 10.186 0.342 1.00 0.64 H new ATOM 0 HD13 LEU A 171 -1.476 11.139 0.940 1.00 0.64 H new ATOM 0 HD21 LEU A 171 -0.321 11.765 -1.844 1.00 0.62 H new ATOM 0 HD22 LEU A 171 0.661 11.219 -0.463 1.00 0.62 H new ATOM 0 HD23 LEU A 171 0.709 10.322 -1.999 1.00 0.62 H new ATOM 290 N SER A 172 0.161 5.859 0.389 1.00 0.28 N ATOM 291 CA SER A 172 0.638 4.777 1.246 1.00 0.29 C ATOM 292 C SER A 172 1.672 3.920 0.522 1.00 0.25 C ATOM 293 O SER A 172 2.767 3.684 1.035 1.00 0.27 O ATOM 294 CB SER A 172 -0.534 3.907 1.701 1.00 0.35 C ATOM 295 OG SER A 172 -1.484 4.667 2.428 1.00 0.42 O ATOM 0 H SER A 172 -0.836 5.820 0.177 1.00 0.28 H new ATOM 0 HA SER A 172 1.113 5.223 2.120 1.00 0.29 H new ATOM 0 HB2 SER A 172 -1.013 3.455 0.833 1.00 0.35 H new ATOM 0 HB3 SER A 172 -0.165 3.091 2.322 1.00 0.35 H new ATOM 0 HG SER A 172 -2.055 5.161 1.803 1.00 0.42 H new ATOM 301 N HIS A 173 1.320 3.456 -0.674 1.00 0.23 N ATOM 302 CA HIS A 173 2.216 2.618 -1.466 1.00 0.24 C ATOM 303 C HIS A 173 3.522 3.344 -1.773 1.00 0.22 C ATOM 304 O HIS A 173 4.608 2.821 -1.522 1.00 0.24 O ATOM 305 CB HIS A 173 1.535 2.199 -2.768 1.00 0.31 C ATOM 306 CG HIS A 173 0.379 1.268 -2.567 1.00 0.37 C ATOM 307 ND1 HIS A 173 -0.832 1.419 -3.211 1.00 0.42 N ATOM 308 CD2 HIS A 173 0.255 0.166 -1.790 1.00 0.52 C ATOM 309 CE1 HIS A 173 -1.649 0.450 -2.839 1.00 0.48 C ATOM 310 NE2 HIS A 173 -1.014 -0.324 -1.979 1.00 0.53 N ATOM 0 H HIS A 173 0.421 3.646 -1.116 1.00 0.23 H new ATOM 0 HA HIS A 173 2.449 1.729 -0.880 1.00 0.24 H new ATOM 0 HB2 HIS A 173 1.186 3.091 -3.289 1.00 0.31 H new ATOM 0 HB3 HIS A 173 2.270 1.719 -3.414 1.00 0.31 H new ATOM 0 HD1 HIS A 173 -1.060 2.162 -3.871 1.00 0.42 H new ATOM 0 HD2 HIS A 173 1.013 -0.250 -1.142 1.00 0.52 H new ATOM 0 HE1 HIS A 173 -2.664 0.314 -3.181 1.00 0.48 H new ATOM 319 N LEU A 174 3.411 4.550 -2.322 1.00 0.22 N ATOM 320 CA LEU A 174 4.587 5.343 -2.660 1.00 0.26 C ATOM 321 C LEU A 174 5.514 5.474 -1.459 1.00 0.24 C ATOM 322 O LEU A 174 6.715 5.224 -1.557 1.00 0.29 O ATOM 323 CB LEU A 174 4.171 6.731 -3.153 1.00 0.31 C ATOM 324 CG LEU A 174 3.468 6.754 -4.511 1.00 0.36 C ATOM 325 CD1 LEU A 174 3.078 8.176 -4.884 1.00 0.42 C ATOM 326 CD2 LEU A 174 4.361 6.146 -5.583 1.00 0.42 C ATOM 0 H LEU A 174 2.521 4.998 -2.542 1.00 0.22 H new ATOM 0 HA LEU A 174 5.124 4.830 -3.458 1.00 0.26 H new ATOM 0 HB2 LEU A 174 3.510 7.180 -2.412 1.00 0.31 H new ATOM 0 HB3 LEU A 174 5.059 7.360 -3.210 1.00 0.31 H new ATOM 0 HG LEU A 174 2.560 6.156 -4.440 1.00 0.36 H new ATOM 0 HD11 LEU A 174 2.579 8.174 -5.853 1.00 0.42 H new ATOM 0 HD12 LEU A 174 2.403 8.578 -4.129 1.00 0.42 H new ATOM 0 HD13 LEU A 174 3.973 8.796 -4.938 1.00 0.42 H new ATOM 0 HD21 LEU A 174 3.845 6.170 -6.543 1.00 0.42 H new ATOM 0 HD22 LEU A 174 5.286 6.718 -5.653 1.00 0.42 H new ATOM 0 HD23 LEU A 174 4.592 5.113 -5.321 1.00 0.42 H new ATOM 338 N LEU A 175 4.949 5.870 -0.323 1.00 0.23 N ATOM 339 CA LEU A 175 5.725 6.030 0.900 1.00 0.27 C ATOM 340 C LEU A 175 6.368 4.710 1.311 1.00 0.24 C ATOM 341 O LEU A 175 7.541 4.669 1.679 1.00 0.27 O ATOM 342 CB LEU A 175 4.839 6.561 2.028 1.00 0.32 C ATOM 343 CG LEU A 175 4.394 8.016 1.869 1.00 0.37 C ATOM 344 CD1 LEU A 175 3.438 8.409 2.985 1.00 0.46 C ATOM 345 CD2 LEU A 175 5.603 8.940 1.852 1.00 0.46 C ATOM 0 H LEU A 175 3.957 6.086 -0.225 1.00 0.23 H new ATOM 0 HA LEU A 175 6.518 6.752 0.707 1.00 0.27 H new ATOM 0 HB2 LEU A 175 3.952 5.931 2.100 1.00 0.32 H new ATOM 0 HB3 LEU A 175 5.378 6.462 2.970 1.00 0.32 H new ATOM 0 HG LEU A 175 3.869 8.114 0.919 1.00 0.37 H new ATOM 0 HD11 LEU A 175 3.133 9.447 2.854 1.00 0.46 H new ATOM 0 HD12 LEU A 175 2.559 7.766 2.954 1.00 0.46 H new ATOM 0 HD13 LEU A 175 3.936 8.296 3.948 1.00 0.46 H new ATOM 0 HD21 LEU A 175 5.271 9.972 1.738 1.00 0.46 H new ATOM 0 HD22 LEU A 175 6.153 8.837 2.787 1.00 0.46 H new ATOM 0 HD23 LEU A 175 6.253 8.674 1.018 1.00 0.46 H new ATOM 357 N ALA A 176 5.593 3.632 1.243 1.00 0.21 N ATOM 358 CA ALA A 176 6.094 2.312 1.604 1.00 0.21 C ATOM 359 C ALA A 176 7.354 1.979 0.813 1.00 0.19 C ATOM 360 O ALA A 176 8.381 1.605 1.384 1.00 0.21 O ATOM 361 CB ALA A 176 5.023 1.258 1.366 1.00 0.21 C ATOM 0 H ALA A 176 4.619 3.647 0.942 1.00 0.21 H new ATOM 0 HA ALA A 176 6.348 2.318 2.664 1.00 0.21 H new ATOM 0 HB1 ALA A 176 5.411 0.277 1.640 1.00 0.21 H new ATOM 0 HB2 ALA A 176 4.148 1.485 1.975 1.00 0.21 H new ATOM 0 HB3 ALA A 176 4.742 1.256 0.313 1.00 0.21 H new ATOM 367 N ILE A 177 7.270 2.118 -0.507 1.00 0.18 N ATOM 368 CA ILE A 177 8.406 1.841 -1.374 1.00 0.20 C ATOM 369 C ILE A 177 9.622 2.644 -0.928 1.00 0.21 C ATOM 370 O ILE A 177 10.728 2.113 -0.831 1.00 0.23 O ATOM 371 CB ILE A 177 8.087 2.176 -2.845 1.00 0.23 C ATOM 372 CG1 ILE A 177 6.876 1.374 -3.320 1.00 0.25 C ATOM 373 CG2 ILE A 177 9.293 1.897 -3.730 1.00 0.27 C ATOM 374 CD1 ILE A 177 6.508 1.635 -4.765 1.00 0.47 C ATOM 0 H ILE A 177 6.428 2.420 -0.997 1.00 0.18 H new ATOM 0 HA ILE A 177 8.622 0.775 -1.299 1.00 0.20 H new ATOM 0 HB ILE A 177 7.850 3.237 -2.916 1.00 0.23 H new ATOM 0 HG12 ILE A 177 7.081 0.311 -3.192 1.00 0.25 H new ATOM 0 HG13 ILE A 177 6.021 1.612 -2.687 1.00 0.25 H new ATOM 0 HG21 ILE A 177 9.049 2.139 -4.764 1.00 0.27 H new ATOM 0 HG22 ILE A 177 10.134 2.509 -3.403 1.00 0.27 H new ATOM 0 HG23 ILE A 177 9.561 0.843 -3.658 1.00 0.27 H new ATOM 0 HD11 ILE A 177 5.640 1.033 -5.034 1.00 0.47 H new ATOM 0 HD12 ILE A 177 6.271 2.691 -4.895 1.00 0.47 H new ATOM 0 HD13 ILE A 177 7.347 1.370 -5.408 1.00 0.47 H new ATOM 386 N GLY A 178 9.406 3.927 -0.654 1.00 0.20 N ATOM 387 CA GLY A 178 10.491 4.781 -0.212 1.00 0.23 C ATOM 388 C GLY A 178 11.168 4.239 1.030 1.00 0.22 C ATOM 389 O GLY A 178 12.395 4.249 1.132 1.00 0.23 O ATOM 0 H GLY A 178 8.500 4.389 -0.730 1.00 0.20 H new ATOM 0 HA2 GLY A 178 11.225 4.879 -1.012 1.00 0.23 H new ATOM 0 HA3 GLY A 178 10.106 5.780 -0.009 1.00 0.23 H new ATOM 393 N LEU A 179 10.365 3.764 1.978 1.00 0.21 N ATOM 394 CA LEU A 179 10.897 3.207 3.214 1.00 0.23 C ATOM 395 C LEU A 179 11.894 2.096 2.911 1.00 0.21 C ATOM 396 O LEU A 179 13.020 2.106 3.406 1.00 0.24 O ATOM 397 CB LEU A 179 9.763 2.664 4.089 1.00 0.27 C ATOM 398 CG LEU A 179 8.738 3.705 4.541 1.00 0.30 C ATOM 399 CD1 LEU A 179 7.699 3.071 5.453 1.00 0.36 C ATOM 400 CD2 LEU A 179 9.431 4.863 5.241 1.00 0.36 C ATOM 0 H LEU A 179 9.347 3.754 1.913 1.00 0.21 H new ATOM 0 HA LEU A 179 11.409 4.003 3.755 1.00 0.23 H new ATOM 0 HB2 LEU A 179 9.243 1.880 3.538 1.00 0.27 H new ATOM 0 HB3 LEU A 179 10.198 2.198 4.973 1.00 0.27 H new ATOM 0 HG LEU A 179 8.227 4.092 3.659 1.00 0.30 H new ATOM 0 HD11 LEU A 179 6.978 3.827 5.764 1.00 0.36 H new ATOM 0 HD12 LEU A 179 7.182 2.275 4.917 1.00 0.36 H new ATOM 0 HD13 LEU A 179 8.192 2.656 6.332 1.00 0.36 H new ATOM 0 HD21 LEU A 179 8.687 5.595 5.556 1.00 0.36 H new ATOM 0 HD22 LEU A 179 9.968 4.492 6.114 1.00 0.36 H new ATOM 0 HD23 LEU A 179 10.135 5.334 4.555 1.00 0.36 H new ATOM 412 N GLY A 180 11.470 1.142 2.089 1.00 0.20 N ATOM 413 CA GLY A 180 12.338 0.036 1.728 1.00 0.23 C ATOM 414 C GLY A 180 13.655 0.502 1.138 1.00 0.24 C ATOM 415 O GLY A 180 14.720 0.018 1.521 1.00 0.28 O ATOM 0 H GLY A 180 10.542 1.115 1.667 1.00 0.20 H new ATOM 0 HA2 GLY A 180 12.534 -0.572 2.611 1.00 0.23 H new ATOM 0 HA3 GLY A 180 11.827 -0.603 1.008 1.00 0.23 H new ATOM 419 N ILE A 181 13.583 1.444 0.204 1.00 0.26 N ATOM 420 CA ILE A 181 14.778 1.974 -0.444 1.00 0.32 C ATOM 421 C ILE A 181 15.724 2.606 0.572 1.00 0.33 C ATOM 422 O ILE A 181 16.936 2.400 0.518 1.00 0.34 O ATOM 423 CB ILE A 181 14.419 3.022 -1.515 1.00 0.41 C ATOM 424 CG1 ILE A 181 13.461 2.424 -2.545 1.00 0.47 C ATOM 425 CG2 ILE A 181 15.678 3.540 -2.195 1.00 0.52 C ATOM 426 CD1 ILE A 181 13.995 1.176 -3.214 1.00 0.90 C ATOM 0 H ILE A 181 12.709 1.857 -0.122 1.00 0.26 H new ATOM 0 HA ILE A 181 15.276 1.131 -0.923 1.00 0.32 H new ATOM 0 HB ILE A 181 13.922 3.860 -1.027 1.00 0.41 H new ATOM 0 HG12 ILE A 181 12.516 2.188 -2.056 1.00 0.47 H new ATOM 0 HG13 ILE A 181 13.247 3.172 -3.308 1.00 0.47 H new ATOM 0 HG21 ILE A 181 15.407 4.279 -2.949 1.00 0.52 H new ATOM 0 HG22 ILE A 181 16.329 4.001 -1.452 1.00 0.52 H new ATOM 0 HG23 ILE A 181 16.201 2.711 -2.672 1.00 0.52 H new ATOM 0 HD11 ILE A 181 13.263 0.807 -3.932 1.00 0.90 H new ATOM 0 HD12 ILE A 181 14.925 1.410 -3.732 1.00 0.90 H new ATOM 0 HD13 ILE A 181 14.182 0.411 -2.461 1.00 0.90 H new ATOM 438 N TYR A 182 15.162 3.378 1.497 1.00 0.35 N ATOM 439 CA TYR A 182 15.956 4.043 2.524 1.00 0.42 C ATOM 440 C TYR A 182 16.720 3.027 3.366 1.00 0.40 C ATOM 441 O TYR A 182 17.909 3.199 3.636 1.00 0.46 O ATOM 442 CB TYR A 182 15.056 4.893 3.422 1.00 0.49 C ATOM 443 CG TYR A 182 15.817 5.712 4.439 1.00 0.62 C ATOM 444 CD1 TYR A 182 16.238 5.149 5.638 1.00 1.16 C ATOM 445 CD2 TYR A 182 16.112 7.048 4.201 1.00 1.34 C ATOM 446 CE1 TYR A 182 16.933 5.896 6.571 1.00 1.25 C ATOM 447 CE2 TYR A 182 16.807 7.801 5.129 1.00 1.44 C ATOM 448 CZ TYR A 182 17.215 7.221 6.311 1.00 0.93 C ATOM 449 OH TYR A 182 17.906 7.969 7.237 1.00 1.09 O ATOM 0 H TYR A 182 14.160 3.558 1.556 1.00 0.35 H new ATOM 0 HA TYR A 182 16.678 4.690 2.027 1.00 0.42 H new ATOM 0 HB2 TYR A 182 14.463 5.562 2.799 1.00 0.49 H new ATOM 0 HB3 TYR A 182 14.356 4.240 3.944 1.00 0.49 H new ATOM 0 HD1 TYR A 182 16.019 4.112 5.844 1.00 1.16 H new ATOM 0 HD2 TYR A 182 15.793 7.506 3.276 1.00 1.34 H new ATOM 0 HE1 TYR A 182 17.253 5.445 7.498 1.00 1.25 H new ATOM 0 HE2 TYR A 182 17.029 8.839 4.929 1.00 1.44 H new ATOM 0 HH TYR A 182 18.023 8.881 6.899 1.00 1.09 H new ATOM 459 N ILE A 183 16.030 1.970 3.779 1.00 0.36 N ATOM 460 CA ILE A 183 16.643 0.927 4.593 1.00 0.42 C ATOM 461 C ILE A 183 17.824 0.289 3.868 1.00 0.41 C ATOM 462 O ILE A 183 18.870 0.041 4.467 1.00 0.46 O ATOM 463 CB ILE A 183 15.619 -0.165 4.965 1.00 0.47 C ATOM 464 CG1 ILE A 183 14.453 0.448 5.744 1.00 0.56 C ATOM 465 CG2 ILE A 183 16.282 -1.268 5.781 1.00 0.58 C ATOM 466 CD1 ILE A 183 13.375 -0.549 6.106 1.00 0.80 C ATOM 0 H ILE A 183 15.046 1.813 3.563 1.00 0.36 H new ATOM 0 HA ILE A 183 17.001 1.401 5.507 1.00 0.42 H new ATOM 0 HB ILE A 183 15.233 -0.605 4.046 1.00 0.47 H new ATOM 0 HG12 ILE A 183 14.837 0.903 6.657 1.00 0.56 H new ATOM 0 HG13 ILE A 183 14.011 1.248 5.150 1.00 0.56 H new ATOM 0 HG21 ILE A 183 15.543 -2.028 6.033 1.00 0.58 H new ATOM 0 HG22 ILE A 183 17.084 -1.721 5.197 1.00 0.58 H new ATOM 0 HG23 ILE A 183 16.695 -0.845 6.697 1.00 0.58 H new ATOM 0 HD11 ILE A 183 12.582 -0.043 6.656 1.00 0.80 H new ATOM 0 HD12 ILE A 183 12.964 -0.986 5.196 1.00 0.80 H new ATOM 0 HD13 ILE A 183 13.802 -1.337 6.727 1.00 0.80 H new ATOM 478 N GLY A 184 17.650 0.026 2.577 1.00 0.39 N ATOM 479 CA GLY A 184 18.715 -0.577 1.797 1.00 0.46 C ATOM 480 C GLY A 184 19.955 0.292 1.740 1.00 0.50 C ATOM 481 O GLY A 184 21.061 -0.169 2.022 1.00 0.55 O ATOM 0 H GLY A 184 16.793 0.219 2.058 1.00 0.39 H new ATOM 0 HA2 GLY A 184 18.973 -1.545 2.227 1.00 0.46 H new ATOM 0 HA3 GLY A 184 18.359 -0.763 0.784 1.00 0.46 H new ATOM 485 N ARG A 185 19.772 1.556 1.372 1.00 0.53 N ATOM 486 CA ARG A 185 20.884 2.495 1.282 1.00 0.65 C ATOM 487 C ARG A 185 21.543 2.703 2.643 1.00 0.67 C ATOM 488 O ARG A 185 22.696 3.127 2.724 1.00 0.76 O ATOM 489 CB ARG A 185 20.402 3.839 0.732 1.00 0.76 C ATOM 490 CG ARG A 185 19.430 4.553 1.647 1.00 0.72 C ATOM 491 CD ARG A 185 19.233 6.000 1.237 1.00 0.81 C ATOM 492 NE ARG A 185 20.479 6.745 1.314 1.00 1.27 N ATOM 493 CZ ARG A 185 20.569 8.059 1.131 1.00 1.59 C ATOM 494 NH1 ARG A 185 19.481 8.769 0.864 1.00 1.66 N ATOM 495 NH2 ARG A 185 21.744 8.666 1.217 1.00 2.24 N ATOM 0 H ARG A 185 18.864 1.954 1.131 1.00 0.53 H new ATOM 0 HA ARG A 185 21.623 2.071 0.602 1.00 0.65 H new ATOM 0 HB2 ARG A 185 21.265 4.482 0.559 1.00 0.76 H new ATOM 0 HB3 ARG A 185 19.926 3.677 -0.235 1.00 0.76 H new ATOM 0 HG2 ARG A 185 18.470 4.037 1.632 1.00 0.72 H new ATOM 0 HG3 ARG A 185 19.798 4.512 2.672 1.00 0.72 H new ATOM 0 HD2 ARG A 185 18.844 6.042 0.220 1.00 0.81 H new ATOM 0 HD3 ARG A 185 18.488 6.465 1.883 1.00 0.81 H new ATOM 0 HE ARG A 185 21.335 6.229 1.521 1.00 1.27 H new ATOM 0 HH11 ARG A 185 18.574 8.307 0.799 1.00 1.66 H new ATOM 0 HH12 ARG A 185 19.551 9.777 0.724 1.00 1.66 H new ATOM 0 HH21 ARG A 185 22.584 8.125 1.424 1.00 2.24 H new ATOM 0 HH22 ARG A 185 21.809 9.674 1.076 1.00 2.24 H new ATOM 509 N ARG A 186 20.807 2.403 3.710 1.00 0.63 N ATOM 510 CA ARG A 186 21.325 2.572 5.063 1.00 0.73 C ATOM 511 C ARG A 186 21.912 1.267 5.594 1.00 0.74 C ATOM 512 O ARG A 186 21.705 0.910 6.754 1.00 0.86 O ATOM 513 CB ARG A 186 20.215 3.063 5.993 1.00 0.81 C ATOM 514 CG ARG A 186 20.685 4.079 7.022 1.00 1.80 C ATOM 515 CD ARG A 186 21.690 3.477 7.989 1.00 2.20 C ATOM 516 NE ARG A 186 22.252 4.484 8.888 1.00 2.90 N ATOM 517 CZ ARG A 186 23.302 5.246 8.586 1.00 3.61 C ATOM 518 NH1 ARG A 186 23.898 5.129 7.406 1.00 3.86 N ATOM 519 NH2 ARG A 186 23.751 6.132 9.463 1.00 4.48 N ATOM 0 H ARG A 186 19.854 2.043 3.664 1.00 0.63 H new ATOM 0 HA ARG A 186 22.122 3.315 5.030 1.00 0.73 H new ATOM 0 HB2 ARG A 186 19.421 3.507 5.393 1.00 0.81 H new ATOM 0 HB3 ARG A 186 19.782 2.207 6.511 1.00 0.81 H new ATOM 0 HG2 ARG A 186 21.136 4.931 6.513 1.00 1.80 H new ATOM 0 HG3 ARG A 186 19.827 4.457 7.578 1.00 1.80 H new ATOM 0 HD2 ARG A 186 21.206 2.696 8.576 1.00 2.20 H new ATOM 0 HD3 ARG A 186 22.495 3.002 7.428 1.00 2.20 H new ATOM 0 HE ARG A 186 21.814 4.610 9.800 1.00 2.90 H new ATOM 0 HH11 ARG A 186 23.552 4.453 6.725 1.00 3.86 H new ATOM 0 HH12 ARG A 186 24.702 5.715 7.180 1.00 3.86 H new ATOM 0 HH21 ARG A 186 23.293 6.230 10.369 1.00 4.48 H new ATOM 0 HH22 ARG A 186 24.555 6.716 9.232 1.00 4.48 H new ATOM 533 N LEU A 187 22.641 0.556 4.740 1.00 0.73 N ATOM 534 CA LEU A 187 23.262 -0.705 5.131 1.00 0.84 C ATOM 535 C LEU A 187 24.769 -0.542 5.295 1.00 1.03 C ATOM 536 O LEU A 187 25.395 -1.236 6.097 1.00 1.21 O ATOM 537 CB LEU A 187 22.962 -1.795 4.099 1.00 0.83 C ATOM 538 CG LEU A 187 21.511 -2.275 4.062 1.00 0.78 C ATOM 539 CD1 LEU A 187 21.339 -3.379 3.032 1.00 0.90 C ATOM 540 CD2 LEU A 187 21.076 -2.757 5.438 1.00 0.98 C ATOM 0 H LEU A 187 22.816 0.831 3.774 1.00 0.73 H new ATOM 0 HA LEU A 187 22.840 -1.003 6.091 1.00 0.84 H new ATOM 0 HB2 LEU A 187 23.229 -1.421 3.111 1.00 0.83 H new ATOM 0 HB3 LEU A 187 23.606 -2.651 4.301 1.00 0.83 H new ATOM 0 HG LEU A 187 20.878 -1.436 3.773 1.00 0.78 H new ATOM 0 HD11 LEU A 187 20.300 -3.707 3.021 1.00 0.90 H new ATOM 0 HD12 LEU A 187 21.611 -3.002 2.046 1.00 0.90 H new ATOM 0 HD13 LEU A 187 21.982 -4.220 3.289 1.00 0.90 H new ATOM 0 HD21 LEU A 187 20.041 -3.095 5.395 1.00 0.98 H new ATOM 0 HD22 LEU A 187 21.715 -3.582 5.753 1.00 0.98 H new ATOM 0 HD23 LEU A 187 21.161 -1.939 6.154 1.00 0.98 H new ATOM 789 N SER B 168 -5.734 -7.967 1.588 1.00 0.84 N ATOM 790 CA SER B 168 -4.954 -7.668 0.391 1.00 0.77 C ATOM 791 C SER B 168 -4.279 -6.306 0.511 1.00 0.60 C ATOM 792 O SER B 168 -3.101 -6.154 0.186 1.00 0.54 O ATOM 793 CB SER B 168 -5.851 -7.697 -0.848 1.00 0.90 C ATOM 794 OG SER B 168 -5.110 -7.404 -2.021 1.00 1.54 O ATOM 0 HA SER B 168 -4.182 -8.431 0.290 1.00 0.77 H new ATOM 0 HB2 SER B 168 -6.314 -8.679 -0.943 1.00 0.90 H new ATOM 0 HB3 SER B 168 -6.658 -6.973 -0.734 1.00 0.90 H new ATOM 0 HG SER B 168 -5.705 -7.430 -2.799 1.00 1.54 H new ATOM 800 N LEU B 169 -5.033 -5.318 0.983 1.00 0.60 N ATOM 801 CA LEU B 169 -4.512 -3.965 1.145 1.00 0.52 C ATOM 802 C LEU B 169 -3.254 -3.964 2.010 1.00 0.44 C ATOM 803 O LEU B 169 -2.233 -3.382 1.637 1.00 0.37 O ATOM 804 CB LEU B 169 -5.575 -3.060 1.768 1.00 0.63 C ATOM 805 CG LEU B 169 -6.839 -2.873 0.928 1.00 0.72 C ATOM 806 CD1 LEU B 169 -7.849 -2.007 1.668 1.00 0.86 C ATOM 807 CD2 LEU B 169 -6.495 -2.259 -0.421 1.00 0.76 C ATOM 0 H LEU B 169 -6.008 -5.429 1.260 1.00 0.60 H new ATOM 0 HA LEU B 169 -4.251 -3.582 0.158 1.00 0.52 H new ATOM 0 HB2 LEU B 169 -5.858 -3.472 2.737 1.00 0.63 H new ATOM 0 HB3 LEU B 169 -5.133 -2.081 1.955 1.00 0.63 H new ATOM 0 HG LEU B 169 -7.287 -3.852 0.757 1.00 0.72 H new ATOM 0 HD11 LEU B 169 -8.742 -1.885 1.055 1.00 0.86 H new ATOM 0 HD12 LEU B 169 -8.118 -2.486 2.610 1.00 0.86 H new ATOM 0 HD13 LEU B 169 -7.411 -1.029 1.870 1.00 0.86 H new ATOM 0 HD21 LEU B 169 -7.406 -2.133 -1.006 1.00 0.76 H new ATOM 0 HD22 LEU B 169 -6.024 -1.288 -0.269 1.00 0.76 H new ATOM 0 HD23 LEU B 169 -5.809 -2.916 -0.955 1.00 0.76 H new ATOM 819 N LEU B 170 -3.331 -4.619 3.164 1.00 0.51 N ATOM 820 CA LEU B 170 -2.195 -4.687 4.077 1.00 0.52 C ATOM 821 C LEU B 170 -0.989 -5.311 3.385 1.00 0.44 C ATOM 822 O LEU B 170 0.122 -4.785 3.461 1.00 0.40 O ATOM 823 CB LEU B 170 -2.554 -5.489 5.331 1.00 0.67 C ATOM 824 CG LEU B 170 -3.519 -4.796 6.297 1.00 0.80 C ATOM 825 CD1 LEU B 170 -4.910 -4.698 5.691 1.00 0.86 C ATOM 826 CD2 LEU B 170 -3.563 -5.536 7.626 1.00 0.93 C ATOM 0 H LEU B 170 -4.165 -5.109 3.489 1.00 0.51 H new ATOM 0 HA LEU B 170 -1.941 -3.670 4.376 1.00 0.52 H new ATOM 0 HB2 LEU B 170 -2.994 -6.437 5.022 1.00 0.67 H new ATOM 0 HB3 LEU B 170 -1.635 -5.724 5.868 1.00 0.67 H new ATOM 0 HG LEU B 170 -3.156 -3.784 6.478 1.00 0.80 H new ATOM 0 HD11 LEU B 170 -5.579 -4.202 6.394 1.00 0.86 H new ATOM 0 HD12 LEU B 170 -4.864 -4.122 4.766 1.00 0.86 H new ATOM 0 HD13 LEU B 170 -5.285 -5.699 5.477 1.00 0.86 H new ATOM 0 HD21 LEU B 170 -4.253 -5.031 8.301 1.00 0.93 H new ATOM 0 HD22 LEU B 170 -3.900 -6.559 7.462 1.00 0.93 H new ATOM 0 HD23 LEU B 170 -2.567 -5.549 8.068 1.00 0.93 H new ATOM 838 N LEU B 171 -1.213 -6.434 2.713 1.00 0.45 N ATOM 839 CA LEU B 171 -0.144 -7.120 2.002 1.00 0.45 C ATOM 840 C LEU B 171 0.517 -6.182 1.000 1.00 0.37 C ATOM 841 O LEU B 171 1.742 -6.117 0.907 1.00 0.38 O ATOM 842 CB LEU B 171 -0.688 -8.358 1.286 1.00 0.54 C ATOM 843 CG LEU B 171 -1.296 -9.421 2.203 1.00 0.65 C ATOM 844 CD1 LEU B 171 -1.797 -10.604 1.391 1.00 0.74 C ATOM 845 CD2 LEU B 171 -0.278 -9.874 3.238 1.00 0.74 C ATOM 0 H LEU B 171 -2.124 -6.887 2.646 1.00 0.45 H new ATOM 0 HA LEU B 171 0.604 -7.437 2.729 1.00 0.45 H new ATOM 0 HB2 LEU B 171 -1.446 -8.041 0.570 1.00 0.54 H new ATOM 0 HB3 LEU B 171 0.121 -8.813 0.714 1.00 0.54 H new ATOM 0 HG LEU B 171 -2.146 -8.981 2.725 1.00 0.65 H new ATOM 0 HD11 LEU B 171 -2.226 -11.349 2.061 1.00 0.74 H new ATOM 0 HD12 LEU B 171 -2.559 -10.266 0.688 1.00 0.74 H new ATOM 0 HD13 LEU B 171 -0.966 -11.046 0.841 1.00 0.74 H new ATOM 0 HD21 LEU B 171 -0.726 -10.630 3.882 1.00 0.74 H new ATOM 0 HD22 LEU B 171 0.591 -10.296 2.733 1.00 0.74 H new ATOM 0 HD23 LEU B 171 0.032 -9.021 3.841 1.00 0.74 H new ATOM 857 N SER B 172 -0.307 -5.453 0.254 1.00 0.32 N ATOM 858 CA SER B 172 0.194 -4.510 -0.737 1.00 0.31 C ATOM 859 C SER B 172 1.212 -3.567 -0.107 1.00 0.26 C ATOM 860 O SER B 172 2.293 -3.347 -0.655 1.00 0.30 O ATOM 861 CB SER B 172 -0.961 -3.709 -1.337 1.00 0.33 C ATOM 862 OG SER B 172 -1.891 -4.561 -1.983 1.00 0.40 O ATOM 0 H SER B 172 -1.324 -5.498 0.318 1.00 0.32 H new ATOM 0 HA SER B 172 0.684 -5.072 -1.532 1.00 0.31 H new ATOM 0 HB2 SER B 172 -1.464 -3.146 -0.551 1.00 0.33 H new ATOM 0 HB3 SER B 172 -0.572 -2.983 -2.050 1.00 0.33 H new ATOM 0 HG SER B 172 -2.357 -5.104 -1.313 1.00 0.40 H new ATOM 868 N HIS B 173 0.859 -3.011 1.048 1.00 0.22 N ATOM 869 CA HIS B 173 1.747 -2.098 1.758 1.00 0.23 C ATOM 870 C HIS B 173 3.049 -2.799 2.128 1.00 0.23 C ATOM 871 O HIS B 173 4.138 -2.295 1.854 1.00 0.25 O ATOM 872 CB HIS B 173 1.065 -1.563 3.018 1.00 0.28 C ATOM 873 CG HIS B 173 -0.130 -0.709 2.733 1.00 0.28 C ATOM 874 ND1 HIS B 173 -1.427 -1.155 2.875 1.00 0.34 N ATOM 875 CD2 HIS B 173 -0.219 0.577 2.318 1.00 0.36 C ATOM 876 CE1 HIS B 173 -2.263 -0.181 2.559 1.00 0.35 C ATOM 877 NE2 HIS B 173 -1.555 0.880 2.218 1.00 0.36 N ATOM 0 H HIS B 173 -0.034 -3.177 1.511 1.00 0.22 H new ATOM 0 HA HIS B 173 1.975 -1.261 1.099 1.00 0.23 H new ATOM 0 HB2 HIS B 173 0.761 -2.404 3.642 1.00 0.28 H new ATOM 0 HB3 HIS B 173 1.787 -0.984 3.594 1.00 0.28 H new ATOM 0 HD1 HIS B 173 -1.699 -2.091 3.177 1.00 0.34 H new ATOM 0 HD2 HIS B 173 0.606 1.240 2.105 1.00 0.36 H new ATOM 0 HE1 HIS B 173 -3.341 -0.243 2.577 1.00 0.35 H new ATOM 886 N LEU B 174 2.926 -3.965 2.753 1.00 0.24 N ATOM 887 CA LEU B 174 4.092 -4.741 3.160 1.00 0.27 C ATOM 888 C LEU B 174 4.959 -5.078 1.953 1.00 0.23 C ATOM 889 O LEU B 174 6.176 -4.894 1.978 1.00 0.24 O ATOM 890 CB LEU B 174 3.656 -6.027 3.864 1.00 0.33 C ATOM 891 CG LEU B 174 2.853 -5.822 5.148 1.00 0.40 C ATOM 892 CD1 LEU B 174 2.382 -7.157 5.701 1.00 0.48 C ATOM 893 CD2 LEU B 174 3.688 -5.081 6.182 1.00 0.47 C ATOM 0 H LEU B 174 2.031 -4.394 2.989 1.00 0.24 H new ATOM 0 HA LEU B 174 4.678 -4.139 3.854 1.00 0.27 H new ATOM 0 HB2 LEU B 174 3.058 -6.618 3.170 1.00 0.33 H new ATOM 0 HB3 LEU B 174 4.544 -6.613 4.099 1.00 0.33 H new ATOM 0 HG LEU B 174 1.976 -5.219 4.915 1.00 0.40 H new ATOM 0 HD11 LEU B 174 1.812 -6.991 6.615 1.00 0.48 H new ATOM 0 HD12 LEU B 174 1.750 -7.653 4.964 1.00 0.48 H new ATOM 0 HD13 LEU B 174 3.245 -7.785 5.921 1.00 0.48 H new ATOM 0 HD21 LEU B 174 3.103 -4.942 7.091 1.00 0.47 H new ATOM 0 HD22 LEU B 174 4.582 -5.661 6.411 1.00 0.47 H new ATOM 0 HD23 LEU B 174 3.978 -4.108 5.786 1.00 0.47 H new ATOM 905 N LEU B 175 4.324 -5.572 0.895 1.00 0.22 N ATOM 906 CA LEU B 175 5.038 -5.932 -0.324 1.00 0.23 C ATOM 907 C LEU B 175 5.795 -4.730 -0.880 1.00 0.21 C ATOM 908 O LEU B 175 6.958 -4.845 -1.266 1.00 0.23 O ATOM 909 CB LEU B 175 4.065 -6.473 -1.373 1.00 0.27 C ATOM 910 CG LEU B 175 3.412 -7.812 -1.021 1.00 0.32 C ATOM 911 CD1 LEU B 175 2.442 -8.237 -2.112 1.00 0.38 C ATOM 912 CD2 LEU B 175 4.475 -8.878 -0.804 1.00 0.38 C ATOM 0 H LEU B 175 3.317 -5.732 0.857 1.00 0.22 H new ATOM 0 HA LEU B 175 5.759 -6.712 -0.079 1.00 0.23 H new ATOM 0 HB2 LEU B 175 3.280 -5.734 -1.533 1.00 0.27 H new ATOM 0 HB3 LEU B 175 4.597 -6.583 -2.318 1.00 0.27 H new ATOM 0 HG LEU B 175 2.851 -7.690 -0.095 1.00 0.32 H new ATOM 0 HD11 LEU B 175 1.988 -9.191 -1.844 1.00 0.38 H new ATOM 0 HD12 LEU B 175 1.663 -7.482 -2.221 1.00 0.38 H new ATOM 0 HD13 LEU B 175 2.979 -8.343 -3.055 1.00 0.38 H new ATOM 0 HD21 LEU B 175 3.995 -9.825 -0.554 1.00 0.38 H new ATOM 0 HD22 LEU B 175 5.062 -8.997 -1.715 1.00 0.38 H new ATOM 0 HD23 LEU B 175 5.131 -8.577 0.013 1.00 0.38 H new ATOM 924 N ALA B 176 5.130 -3.579 -0.919 1.00 0.21 N ATOM 925 CA ALA B 176 5.751 -2.361 -1.425 1.00 0.23 C ATOM 926 C ALA B 176 7.079 -2.106 -0.724 1.00 0.22 C ATOM 927 O ALA B 176 8.112 -1.920 -1.370 1.00 0.24 O ATOM 928 CB ALA B 176 4.816 -1.174 -1.241 1.00 0.26 C ATOM 0 H ALA B 176 4.165 -3.465 -0.608 1.00 0.21 H new ATOM 0 HA ALA B 176 5.944 -2.489 -2.490 1.00 0.23 H new ATOM 0 HB1 ALA B 176 5.294 -0.272 -1.623 1.00 0.26 H new ATOM 0 HB2 ALA B 176 3.889 -1.353 -1.786 1.00 0.26 H new ATOM 0 HB3 ALA B 176 4.595 -1.046 -0.181 1.00 0.26 H new ATOM 934 N ILE B 177 7.047 -2.104 0.605 1.00 0.20 N ATOM 935 CA ILE B 177 8.253 -1.888 1.388 1.00 0.21 C ATOM 936 C ILE B 177 9.293 -2.943 1.044 1.00 0.21 C ATOM 937 O ILE B 177 10.476 -2.641 0.883 1.00 0.22 O ATOM 938 CB ILE B 177 7.965 -1.932 2.900 1.00 0.22 C ATOM 939 CG1 ILE B 177 6.841 -0.957 3.259 1.00 0.24 C ATOM 940 CG2 ILE B 177 9.225 -1.605 3.688 1.00 0.25 C ATOM 941 CD1 ILE B 177 6.528 -0.914 4.739 1.00 0.29 C ATOM 0 H ILE B 177 6.202 -2.249 1.158 1.00 0.20 H new ATOM 0 HA ILE B 177 8.632 -0.896 1.141 1.00 0.21 H new ATOM 0 HB ILE B 177 7.644 -2.940 3.163 1.00 0.22 H new ATOM 0 HG12 ILE B 177 7.118 0.043 2.925 1.00 0.24 H new ATOM 0 HG13 ILE B 177 5.940 -1.237 2.713 1.00 0.24 H new ATOM 0 HG21 ILE B 177 9.006 -1.640 4.755 1.00 0.25 H new ATOM 0 HG22 ILE B 177 10.001 -2.334 3.453 1.00 0.25 H new ATOM 0 HG23 ILE B 177 9.572 -0.607 3.421 1.00 0.25 H new ATOM 0 HD11 ILE B 177 5.722 -0.202 4.920 1.00 0.29 H new ATOM 0 HD12 ILE B 177 6.220 -1.904 5.075 1.00 0.29 H new ATOM 0 HD13 ILE B 177 7.416 -0.604 5.290 1.00 0.29 H new ATOM 953 N GLY B 178 8.837 -4.188 0.927 1.00 0.21 N ATOM 954 CA GLY B 178 9.731 -5.275 0.586 1.00 0.23 C ATOM 955 C GLY B 178 10.413 -5.041 -0.744 1.00 0.23 C ATOM 956 O GLY B 178 11.612 -5.283 -0.888 1.00 0.26 O ATOM 0 H GLY B 178 7.864 -4.460 1.063 1.00 0.21 H new ATOM 0 HA2 GLY B 178 10.484 -5.386 1.367 1.00 0.23 H new ATOM 0 HA3 GLY B 178 9.171 -6.209 0.548 1.00 0.23 H new ATOM 960 N LEU B 179 9.644 -4.569 -1.722 1.00 0.21 N ATOM 961 CA LEU B 179 10.184 -4.287 -3.045 1.00 0.23 C ATOM 962 C LEU B 179 11.372 -3.342 -2.930 1.00 0.24 C ATOM 963 O LEU B 179 12.426 -3.576 -3.521 1.00 0.28 O ATOM 964 CB LEU B 179 9.110 -3.669 -3.943 1.00 0.25 C ATOM 965 CG LEU B 179 7.949 -4.596 -4.303 1.00 0.27 C ATOM 966 CD1 LEU B 179 6.955 -3.877 -5.202 1.00 0.34 C ATOM 967 CD2 LEU B 179 8.462 -5.859 -4.977 1.00 0.33 C ATOM 0 H LEU B 179 8.648 -4.375 -1.622 1.00 0.21 H new ATOM 0 HA LEU B 179 10.514 -5.224 -3.493 1.00 0.23 H new ATOM 0 HB2 LEU B 179 8.708 -2.786 -3.446 1.00 0.25 H new ATOM 0 HB3 LEU B 179 9.582 -3.329 -4.865 1.00 0.25 H new ATOM 0 HG LEU B 179 7.439 -4.882 -3.383 1.00 0.27 H new ATOM 0 HD11 LEU B 179 6.135 -4.551 -5.449 1.00 0.34 H new ATOM 0 HD12 LEU B 179 6.563 -3.002 -4.684 1.00 0.34 H new ATOM 0 HD13 LEU B 179 7.455 -3.562 -6.118 1.00 0.34 H new ATOM 0 HD21 LEU B 179 7.621 -6.506 -5.226 1.00 0.33 H new ATOM 0 HD22 LEU B 179 8.997 -5.593 -5.889 1.00 0.33 H new ATOM 0 HD23 LEU B 179 9.136 -6.384 -4.301 1.00 0.33 H new ATOM 979 N GLY B 180 11.192 -2.270 -2.163 1.00 0.23 N ATOM 980 CA GLY B 180 12.262 -1.308 -1.973 1.00 0.27 C ATOM 981 C GLY B 180 13.515 -1.954 -1.415 1.00 0.29 C ATOM 982 O GLY B 180 14.624 -1.665 -1.862 1.00 0.34 O ATOM 0 H GLY B 180 10.326 -2.051 -1.671 1.00 0.23 H new ATOM 0 HA2 GLY B 180 12.494 -0.831 -2.925 1.00 0.27 H new ATOM 0 HA3 GLY B 180 11.927 -0.522 -1.296 1.00 0.27 H new ATOM 986 N ILE B 181 13.333 -2.830 -0.430 1.00 0.27 N ATOM 987 CA ILE B 181 14.455 -3.529 0.188 1.00 0.32 C ATOM 988 C ILE B 181 15.266 -4.283 -0.858 1.00 0.37 C ATOM 989 O ILE B 181 16.494 -4.187 -0.899 1.00 0.44 O ATOM 990 CB ILE B 181 13.971 -4.525 1.263 1.00 0.34 C ATOM 991 CG1 ILE B 181 13.163 -3.797 2.337 1.00 0.32 C ATOM 992 CG2 ILE B 181 15.153 -5.254 1.885 1.00 0.42 C ATOM 993 CD1 ILE B 181 13.935 -2.694 3.024 1.00 0.67 C ATOM 0 H ILE B 181 12.421 -3.072 -0.044 1.00 0.27 H new ATOM 0 HA ILE B 181 15.083 -2.774 0.660 1.00 0.32 H new ATOM 0 HB ILE B 181 13.326 -5.263 0.786 1.00 0.34 H new ATOM 0 HG12 ILE B 181 12.267 -3.375 1.883 1.00 0.32 H new ATOM 0 HG13 ILE B 181 12.832 -4.519 3.084 1.00 0.32 H new ATOM 0 HG21 ILE B 181 14.793 -5.952 2.641 1.00 0.42 H new ATOM 0 HG22 ILE B 181 15.691 -5.802 1.111 1.00 0.42 H new ATOM 0 HG23 ILE B 181 15.823 -4.531 2.349 1.00 0.42 H new ATOM 0 HD11 ILE B 181 13.302 -2.220 3.774 1.00 0.67 H new ATOM 0 HD12 ILE B 181 14.817 -3.114 3.507 1.00 0.67 H new ATOM 0 HD13 ILE B 181 14.243 -1.952 2.287 1.00 0.67 H new ATOM 1005 N TYR B 182 14.568 -5.034 -1.702 1.00 0.36 N ATOM 1006 CA TYR B 182 15.214 -5.812 -2.753 1.00 0.42 C ATOM 1007 C TYR B 182 16.003 -4.905 -3.690 1.00 0.45 C ATOM 1008 O TYR B 182 17.171 -5.159 -3.983 1.00 0.51 O ATOM 1009 CB TYR B 182 14.168 -6.596 -3.545 1.00 0.46 C ATOM 1010 CG TYR B 182 14.747 -7.394 -4.692 1.00 0.58 C ATOM 1011 CD1 TYR B 182 15.285 -8.657 -4.482 1.00 1.48 C ATOM 1012 CD2 TYR B 182 14.755 -6.884 -5.984 1.00 1.20 C ATOM 1013 CE1 TYR B 182 15.815 -9.390 -5.527 1.00 1.56 C ATOM 1014 CE2 TYR B 182 15.282 -7.610 -7.034 1.00 1.25 C ATOM 1015 CZ TYR B 182 15.811 -8.862 -6.801 1.00 0.83 C ATOM 1016 OH TYR B 182 16.337 -9.587 -7.844 1.00 0.97 O ATOM 0 H TYR B 182 13.552 -5.121 -1.679 1.00 0.36 H new ATOM 0 HA TYR B 182 15.907 -6.511 -2.285 1.00 0.42 H new ATOM 0 HB2 TYR B 182 13.646 -7.274 -2.869 1.00 0.46 H new ATOM 0 HB3 TYR B 182 13.425 -5.901 -3.936 1.00 0.46 H new ATOM 0 HD1 TYR B 182 15.289 -9.073 -3.485 1.00 1.48 H new ATOM 0 HD2 TYR B 182 14.342 -5.904 -6.171 1.00 1.20 H new ATOM 0 HE1 TYR B 182 16.230 -10.371 -5.347 1.00 1.56 H new ATOM 0 HE2 TYR B 182 15.280 -7.199 -8.033 1.00 1.25 H new ATOM 0 HH TYR B 182 16.255 -9.073 -8.674 1.00 0.97 H new ATOM 1026 N ILE B 183 15.351 -3.852 -4.167 1.00 0.44 N ATOM 1027 CA ILE B 183 15.985 -2.902 -5.071 1.00 0.50 C ATOM 1028 C ILE B 183 17.158 -2.191 -4.398 1.00 0.52 C ATOM 1029 O ILE B 183 18.220 -2.023 -4.995 1.00 0.59 O ATOM 1030 CB ILE B 183 14.982 -1.846 -5.565 1.00 0.55 C ATOM 1031 CG1 ILE B 183 13.761 -2.521 -6.195 1.00 0.59 C ATOM 1032 CG2 ILE B 183 15.648 -0.909 -6.562 1.00 0.64 C ATOM 1033 CD1 ILE B 183 12.690 -1.545 -6.631 1.00 0.83 C ATOM 0 H ILE B 183 14.380 -3.634 -3.942 1.00 0.44 H new ATOM 0 HA ILE B 183 16.352 -3.476 -5.921 1.00 0.50 H new ATOM 0 HB ILE B 183 14.647 -1.259 -4.710 1.00 0.55 H new ATOM 0 HG12 ILE B 183 14.083 -3.104 -7.058 1.00 0.59 H new ATOM 0 HG13 ILE B 183 13.333 -3.222 -5.478 1.00 0.59 H new ATOM 0 HG21 ILE B 183 14.926 -0.167 -6.903 1.00 0.64 H new ATOM 0 HG22 ILE B 183 16.487 -0.405 -6.083 1.00 0.64 H new ATOM 0 HG23 ILE B 183 16.009 -1.483 -7.416 1.00 0.64 H new ATOM 0 HD11 ILE B 183 11.855 -2.092 -7.068 1.00 0.83 H new ATOM 0 HD12 ILE B 183 12.340 -0.979 -5.768 1.00 0.83 H new ATOM 0 HD13 ILE B 183 13.102 -0.860 -7.372 1.00 0.83 H new ATOM 1045 N GLY B 184 16.954 -1.781 -3.150 1.00 0.50 N ATOM 1046 CA GLY B 184 17.992 -1.077 -2.418 1.00 0.57 C ATOM 1047 C GLY B 184 19.261 -1.890 -2.236 1.00 0.62 C ATOM 1048 O GLY B 184 20.351 -1.426 -2.567 1.00 0.69 O ATOM 0 H GLY B 184 16.087 -1.924 -2.632 1.00 0.50 H new ATOM 0 HA2 GLY B 184 18.234 -0.153 -2.944 1.00 0.57 H new ATOM 0 HA3 GLY B 184 17.607 -0.795 -1.438 1.00 0.57 H new ATOM 1052 N ARG B 185 19.124 -3.103 -1.711 1.00 0.62 N ATOM 1053 CA ARG B 185 20.280 -3.966 -1.485 1.00 0.72 C ATOM 1054 C ARG B 185 21.018 -4.261 -2.789 1.00 0.79 C ATOM 1055 O ARG B 185 22.176 -4.681 -2.773 1.00 0.88 O ATOM 1056 CB ARG B 185 19.850 -5.273 -0.811 1.00 0.77 C ATOM 1057 CG ARG B 185 18.765 -6.025 -1.559 1.00 0.72 C ATOM 1058 CD ARG B 185 19.345 -6.943 -2.623 1.00 1.02 C ATOM 1059 NE ARG B 185 20.224 -7.958 -2.048 1.00 1.43 N ATOM 1060 CZ ARG B 185 20.899 -8.843 -2.774 1.00 2.03 C ATOM 1061 NH1 ARG B 185 20.794 -8.836 -4.095 1.00 2.27 N ATOM 1062 NH2 ARG B 185 21.679 -9.735 -2.179 1.00 2.56 N ATOM 0 H ARG B 185 18.230 -3.510 -1.435 1.00 0.62 H new ATOM 0 HA ARG B 185 20.965 -3.436 -0.823 1.00 0.72 H new ATOM 0 HB2 ARG B 185 20.721 -5.920 -0.707 1.00 0.77 H new ATOM 0 HB3 ARG B 185 19.496 -5.051 0.196 1.00 0.77 H new ATOM 0 HG2 ARG B 185 18.177 -6.612 -0.853 1.00 0.72 H new ATOM 0 HG3 ARG B 185 18.084 -5.313 -2.025 1.00 0.72 H new ATOM 0 HD2 ARG B 185 18.533 -7.430 -3.164 1.00 1.02 H new ATOM 0 HD3 ARG B 185 19.901 -6.351 -3.349 1.00 1.02 H new ATOM 0 HE ARG B 185 20.325 -7.989 -1.034 1.00 1.43 H new ATOM 0 HH11 ARG B 185 20.195 -8.151 -4.555 1.00 2.27 H new ATOM 0 HH12 ARG B 185 21.313 -9.516 -4.651 1.00 2.27 H new ATOM 0 HH21 ARG B 185 21.762 -9.743 -1.162 1.00 2.56 H new ATOM 0 HH22 ARG B 185 22.196 -10.414 -2.738 1.00 2.56 H new