USER MOD reduce.3.24.130724 H: found=0, std=0, add=333, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 333 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 Set 1.1: A 172 SER OG : rot 74:sc= 1.48 USER MOD Set 1.2: B 173 HIS : +bothHN:sc= -2.36! C(o=-0.88!,f=-6.6!) USER MOD Set 2.1: A 173 HIS : +bothHN:sc= -2.17! C(o=-0.72!,f=-7.1!) USER MOD Set 2.2: B 172 SER OG : rot 73:sc= 1.45 USER MOD Single : A 168 SER OG : rot 180:sc= 0 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 182 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 208 N PRO A 167 6.015 8.342 1.101 1.00 0.73 N ATOM 209 CA PRO A 167 4.909 8.883 0.303 1.00 0.67 C ATOM 210 C PRO A 167 4.212 7.813 -0.529 1.00 0.55 C ATOM 211 O PRO A 167 3.007 7.598 -0.401 1.00 0.58 O ATOM 212 CB PRO A 167 5.591 9.904 -0.608 1.00 0.86 C ATOM 213 CG PRO A 167 6.813 10.316 0.133 1.00 0.98 C ATOM 214 CD PRO A 167 7.264 9.099 0.895 1.00 0.91 C ATOM 0 HA PRO A 167 4.127 9.307 0.933 1.00 0.67 H new ATOM 0 HB2 PRO A 167 5.843 9.467 -1.574 1.00 0.86 H new ATOM 0 HB3 PRO A 167 4.941 10.756 -0.804 1.00 0.86 H new ATOM 0 HG2 PRO A 167 7.589 10.657 -0.552 1.00 0.98 H new ATOM 0 HG3 PRO A 167 6.599 11.143 0.810 1.00 0.98 H new ATOM 0 HD2 PRO A 167 7.996 8.521 0.331 1.00 0.91 H new ATOM 0 HD3 PRO A 167 7.731 9.368 1.842 1.00 0.91 H new ATOM 222 N SER A 168 4.979 7.141 -1.383 1.00 0.55 N ATOM 223 CA SER A 168 4.433 6.094 -2.240 1.00 0.52 C ATOM 224 C SER A 168 3.629 5.084 -1.429 1.00 0.39 C ATOM 225 O SER A 168 2.479 4.786 -1.754 1.00 0.33 O ATOM 226 CB SER A 168 5.559 5.381 -2.991 1.00 0.66 C ATOM 227 OG SER A 168 5.046 4.359 -3.829 1.00 1.47 O ATOM 0 H SER A 168 5.979 7.303 -1.500 1.00 0.55 H new ATOM 0 HA SER A 168 3.765 6.565 -2.961 1.00 0.52 H new ATOM 0 HB2 SER A 168 6.114 6.102 -3.590 1.00 0.66 H new ATOM 0 HB3 SER A 168 6.262 4.952 -2.277 1.00 0.66 H new ATOM 0 HG SER A 168 5.785 3.920 -4.299 1.00 1.47 H new ATOM 233 N LEU A 169 4.238 4.558 -0.370 1.00 0.40 N ATOM 234 CA LEU A 169 3.576 3.578 0.484 1.00 0.36 C ATOM 235 C LEU A 169 2.303 4.158 1.093 1.00 0.28 C ATOM 236 O LEU A 169 1.235 3.554 1.011 1.00 0.26 O ATOM 237 CB LEU A 169 4.522 3.113 1.594 1.00 0.47 C ATOM 238 CG LEU A 169 5.837 2.501 1.108 1.00 0.59 C ATOM 239 CD1 LEU A 169 6.600 1.885 2.272 1.00 0.73 C ATOM 240 CD2 LEU A 169 5.578 1.461 0.029 1.00 0.62 C ATOM 0 H LEU A 169 5.188 4.794 -0.083 1.00 0.40 H new ATOM 0 HA LEU A 169 3.304 2.721 -0.133 1.00 0.36 H new ATOM 0 HB2 LEU A 169 4.750 3.964 2.236 1.00 0.47 H new ATOM 0 HB3 LEU A 169 4.002 2.379 2.210 1.00 0.47 H new ATOM 0 HG LEU A 169 6.447 3.295 0.678 1.00 0.59 H new ATOM 0 HD11 LEU A 169 7.533 1.454 1.908 1.00 0.73 H new ATOM 0 HD12 LEU A 169 6.820 2.655 3.011 1.00 0.73 H new ATOM 0 HD13 LEU A 169 5.994 1.104 2.731 1.00 0.73 H new ATOM 0 HD21 LEU A 169 6.526 1.038 -0.303 1.00 0.62 H new ATOM 0 HD22 LEU A 169 4.948 0.668 0.432 1.00 0.62 H new ATOM 0 HD23 LEU A 169 5.074 1.931 -0.816 1.00 0.62 H new ATOM 252 N LEU A 170 2.426 5.331 1.705 1.00 0.31 N ATOM 253 CA LEU A 170 1.282 5.990 2.325 1.00 0.33 C ATOM 254 C LEU A 170 0.136 6.132 1.330 1.00 0.26 C ATOM 255 O LEU A 170 -1.006 5.781 1.628 1.00 0.27 O ATOM 256 CB LEU A 170 1.685 7.368 2.856 1.00 0.42 C ATOM 257 CG LEU A 170 2.633 7.350 4.057 1.00 0.52 C ATOM 258 CD1 LEU A 170 3.089 8.759 4.401 1.00 0.63 C ATOM 259 CD2 LEU A 170 1.959 6.700 5.255 1.00 0.60 C ATOM 0 H LEU A 170 3.304 5.844 1.785 1.00 0.31 H new ATOM 0 HA LEU A 170 0.945 5.373 3.158 1.00 0.33 H new ATOM 0 HB2 LEU A 170 2.157 7.927 2.048 1.00 0.42 H new ATOM 0 HB3 LEU A 170 0.782 7.911 3.134 1.00 0.42 H new ATOM 0 HG LEU A 170 3.512 6.761 3.793 1.00 0.52 H new ATOM 0 HD11 LEU A 170 3.762 8.725 5.258 1.00 0.63 H new ATOM 0 HD12 LEU A 170 3.610 9.191 3.547 1.00 0.63 H new ATOM 0 HD13 LEU A 170 2.222 9.373 4.646 1.00 0.63 H new ATOM 0 HD21 LEU A 170 2.646 6.695 6.101 1.00 0.60 H new ATOM 0 HD22 LEU A 170 1.064 7.263 5.518 1.00 0.60 H new ATOM 0 HD23 LEU A 170 1.683 5.675 5.006 1.00 0.60 H new ATOM 271 N LEU A 171 0.449 6.648 0.146 1.00 0.23 N ATOM 272 CA LEU A 171 -0.553 6.836 -0.895 1.00 0.22 C ATOM 273 C LEU A 171 -1.155 5.499 -1.320 1.00 0.18 C ATOM 274 O LEU A 171 -2.367 5.382 -1.498 1.00 0.21 O ATOM 275 CB LEU A 171 0.066 7.539 -2.104 1.00 0.26 C ATOM 276 CG LEU A 171 0.596 8.948 -1.828 1.00 0.33 C ATOM 277 CD1 LEU A 171 1.228 9.538 -3.079 1.00 0.39 C ATOM 278 CD2 LEU A 171 -0.522 9.845 -1.319 1.00 0.40 C ATOM 0 H LEU A 171 1.389 6.943 -0.116 1.00 0.23 H new ATOM 0 HA LEU A 171 -1.351 7.459 -0.490 1.00 0.22 H new ATOM 0 HB2 LEU A 171 0.884 6.926 -2.483 1.00 0.26 H new ATOM 0 HB3 LEU A 171 -0.682 7.596 -2.895 1.00 0.26 H new ATOM 0 HG LEU A 171 1.364 8.882 -1.057 1.00 0.33 H new ATOM 0 HD11 LEU A 171 1.598 10.540 -2.862 1.00 0.39 H new ATOM 0 HD12 LEU A 171 2.056 8.907 -3.401 1.00 0.39 H new ATOM 0 HD13 LEU A 171 0.483 9.591 -3.873 1.00 0.39 H new ATOM 0 HD21 LEU A 171 -0.129 10.843 -1.127 1.00 0.40 H new ATOM 0 HD22 LEU A 171 -1.311 9.903 -2.068 1.00 0.40 H new ATOM 0 HD23 LEU A 171 -0.928 9.432 -0.396 1.00 0.40 H new ATOM 290 N SER A 172 -0.301 4.494 -1.478 1.00 0.16 N ATOM 291 CA SER A 172 -0.755 3.168 -1.883 1.00 0.16 C ATOM 292 C SER A 172 -1.793 2.624 -0.908 1.00 0.15 C ATOM 293 O SER A 172 -2.880 2.211 -1.310 1.00 0.19 O ATOM 294 CB SER A 172 0.431 2.207 -1.972 1.00 0.19 C ATOM 295 OG SER A 172 1.352 2.622 -2.965 1.00 0.23 O ATOM 0 H SER A 172 0.706 4.571 -1.333 1.00 0.16 H new ATOM 0 HA SER A 172 -1.219 3.255 -2.865 1.00 0.16 H new ATOM 0 HB2 SER A 172 0.933 2.154 -1.006 1.00 0.19 H new ATOM 0 HB3 SER A 172 0.073 1.203 -2.201 1.00 0.19 H new ATOM 0 HG SER A 172 1.848 3.404 -2.645 1.00 0.23 H new ATOM 301 N HIS A 173 -1.451 2.626 0.377 1.00 0.13 N ATOM 302 CA HIS A 173 -2.354 2.128 1.409 1.00 0.17 C ATOM 303 C HIS A 173 -3.632 2.960 1.474 1.00 0.22 C ATOM 304 O HIS A 173 -4.736 2.423 1.414 1.00 0.27 O ATOM 305 CB HIS A 173 -1.660 2.139 2.771 1.00 0.20 C ATOM 306 CG HIS A 173 -0.459 1.247 2.838 1.00 0.20 C ATOM 307 ND1 HIS A 173 0.835 1.721 2.776 1.00 0.25 N ATOM 308 CD2 HIS A 173 -0.360 -0.097 2.967 1.00 0.25 C ATOM 309 CE1 HIS A 173 1.678 0.706 2.860 1.00 0.29 C ATOM 310 NE2 HIS A 173 0.978 -0.407 2.978 1.00 0.27 N ATOM 0 H HIS A 173 -0.556 2.967 0.728 1.00 0.13 H new ATOM 0 HA HIS A 173 -2.624 1.104 1.150 1.00 0.17 H new ATOM 0 HB2 HIS A 173 -1.358 3.159 3.008 1.00 0.20 H new ATOM 0 HB3 HIS A 173 -2.374 1.832 3.536 1.00 0.20 H new ATOM 0 HD1 HIS A 173 1.100 2.701 2.680 1.00 0.25 H new ATOM 0 HD2 HIS A 173 -1.180 -0.795 3.046 1.00 0.25 H new ATOM 0 HE1 HIS A 173 2.755 0.776 2.836 1.00 0.29 H new ATOM 0 HE2 HIS A 173 1.368 -1.346 3.064 1.00 0.27 H new ATOM 319 N LEU A 174 -3.473 4.274 1.593 1.00 0.23 N ATOM 320 CA LEU A 174 -4.615 5.179 1.678 1.00 0.29 C ATOM 321 C LEU A 174 -5.478 5.104 0.422 1.00 0.29 C ATOM 322 O LEU A 174 -6.691 4.911 0.503 1.00 0.34 O ATOM 323 CB LEU A 174 -4.136 6.615 1.899 1.00 0.32 C ATOM 324 CG LEU A 174 -3.394 6.853 3.215 1.00 0.36 C ATOM 325 CD1 LEU A 174 -2.934 8.299 3.313 1.00 0.41 C ATOM 326 CD2 LEU A 174 -4.278 6.490 4.398 1.00 0.47 C ATOM 0 H LEU A 174 -2.565 4.737 1.633 1.00 0.23 H new ATOM 0 HA LEU A 174 -5.225 4.869 2.526 1.00 0.29 H new ATOM 0 HB2 LEU A 174 -3.481 6.895 1.074 1.00 0.32 H new ATOM 0 HB3 LEU A 174 -4.999 7.280 1.860 1.00 0.32 H new ATOM 0 HG LEU A 174 -2.513 6.211 3.236 1.00 0.36 H new ATOM 0 HD11 LEU A 174 -2.408 8.450 4.256 1.00 0.41 H new ATOM 0 HD12 LEU A 174 -2.264 8.525 2.483 1.00 0.41 H new ATOM 0 HD13 LEU A 174 -3.800 8.960 3.270 1.00 0.41 H new ATOM 0 HD21 LEU A 174 -3.734 6.666 5.326 1.00 0.47 H new ATOM 0 HD22 LEU A 174 -5.177 7.106 4.383 1.00 0.47 H new ATOM 0 HD23 LEU A 174 -4.557 5.438 4.334 1.00 0.47 H new ATOM 338 N LEU A 175 -4.847 5.257 -0.737 1.00 0.26 N ATOM 339 CA LEU A 175 -5.563 5.211 -2.006 1.00 0.28 C ATOM 340 C LEU A 175 -6.310 3.890 -2.169 1.00 0.27 C ATOM 341 O LEU A 175 -7.481 3.875 -2.548 1.00 0.29 O ATOM 342 CB LEU A 175 -4.593 5.416 -3.173 1.00 0.30 C ATOM 343 CG LEU A 175 -4.000 6.822 -3.280 1.00 0.33 C ATOM 344 CD1 LEU A 175 -3.014 6.903 -4.436 1.00 0.37 C ATOM 345 CD2 LEU A 175 -5.107 7.852 -3.450 1.00 0.41 C ATOM 0 H LEU A 175 -3.843 5.414 -0.824 1.00 0.26 H new ATOM 0 HA LEU A 175 -6.295 6.018 -2.008 1.00 0.28 H new ATOM 0 HB2 LEU A 175 -3.777 4.700 -3.078 1.00 0.30 H new ATOM 0 HB3 LEU A 175 -5.113 5.185 -4.103 1.00 0.30 H new ATOM 0 HG LEU A 175 -3.462 7.040 -2.357 1.00 0.33 H new ATOM 0 HD11 LEU A 175 -2.604 7.911 -4.494 1.00 0.37 H new ATOM 0 HD12 LEU A 175 -2.205 6.191 -4.275 1.00 0.37 H new ATOM 0 HD13 LEU A 175 -3.526 6.665 -5.368 1.00 0.37 H new ATOM 0 HD21 LEU A 175 -4.669 8.847 -3.525 1.00 0.41 H new ATOM 0 HD22 LEU A 175 -5.670 7.634 -4.357 1.00 0.41 H new ATOM 0 HD23 LEU A 175 -5.775 7.813 -2.590 1.00 0.41 H new ATOM 357 N ALA A 176 -5.631 2.786 -1.880 1.00 0.26 N ATOM 358 CA ALA A 176 -6.240 1.466 -1.999 1.00 0.27 C ATOM 359 C ALA A 176 -7.536 1.389 -1.194 1.00 0.26 C ATOM 360 O ALA A 176 -8.586 1.010 -1.718 1.00 0.27 O ATOM 361 CB ALA A 176 -5.264 0.394 -1.542 1.00 0.27 C ATOM 0 H ALA A 176 -4.662 2.778 -1.563 1.00 0.26 H new ATOM 0 HA ALA A 176 -6.484 1.294 -3.047 1.00 0.27 H new ATOM 0 HB1 ALA A 176 -5.731 -0.587 -1.636 1.00 0.27 H new ATOM 0 HB2 ALA A 176 -4.368 0.430 -2.161 1.00 0.27 H new ATOM 0 HB3 ALA A 176 -4.993 0.569 -0.501 1.00 0.27 H new ATOM 367 N ILE A 177 -7.458 1.755 0.084 1.00 0.27 N ATOM 368 CA ILE A 177 -8.628 1.736 0.951 1.00 0.28 C ATOM 369 C ILE A 177 -9.726 2.623 0.378 1.00 0.26 C ATOM 370 O ILE A 177 -10.896 2.245 0.353 1.00 0.26 O ATOM 371 CB ILE A 177 -8.286 2.203 2.382 1.00 0.31 C ATOM 372 CG1 ILE A 177 -7.217 1.297 2.996 1.00 0.36 C ATOM 373 CG2 ILE A 177 -9.534 2.218 3.254 1.00 0.33 C ATOM 374 CD1 ILE A 177 -6.792 1.721 4.385 1.00 0.62 C ATOM 0 H ILE A 177 -6.599 2.067 0.538 1.00 0.27 H new ATOM 0 HA ILE A 177 -8.977 0.705 1.002 1.00 0.28 H new ATOM 0 HB ILE A 177 -7.893 3.218 2.328 1.00 0.31 H new ATOM 0 HG12 ILE A 177 -7.597 0.276 3.037 1.00 0.36 H new ATOM 0 HG13 ILE A 177 -6.343 1.286 2.345 1.00 0.36 H new ATOM 0 HG21 ILE A 177 -9.272 2.550 4.259 1.00 0.33 H new ATOM 0 HG22 ILE A 177 -10.268 2.901 2.826 1.00 0.33 H new ATOM 0 HG23 ILE A 177 -9.956 1.214 3.302 1.00 0.33 H new ATOM 0 HD11 ILE A 177 -6.032 1.034 4.759 1.00 0.62 H new ATOM 0 HD12 ILE A 177 -6.382 2.730 4.348 1.00 0.62 H new ATOM 0 HD13 ILE A 177 -7.655 1.704 5.051 1.00 0.62 H new ATOM 386 N GLY A 178 -9.335 3.807 -0.087 1.00 0.26 N ATOM 387 CA GLY A 178 -10.297 4.725 -0.663 1.00 0.27 C ATOM 388 C GLY A 178 -11.108 4.076 -1.766 1.00 0.26 C ATOM 389 O GLY A 178 -12.332 4.196 -1.799 1.00 0.28 O ATOM 0 H GLY A 178 -8.372 4.144 -0.074 1.00 0.26 H new ATOM 0 HA2 GLY A 178 -10.968 5.084 0.117 1.00 0.27 H new ATOM 0 HA3 GLY A 178 -9.775 5.595 -1.060 1.00 0.27 H new ATOM 393 N LEU A 179 -10.421 3.384 -2.671 1.00 0.25 N ATOM 394 CA LEU A 179 -11.085 2.704 -3.774 1.00 0.27 C ATOM 395 C LEU A 179 -12.143 1.744 -3.246 1.00 0.26 C ATOM 396 O LEU A 179 -13.290 1.760 -3.692 1.00 0.28 O ATOM 397 CB LEU A 179 -10.067 1.938 -4.623 1.00 0.33 C ATOM 398 CG LEU A 179 -8.956 2.792 -5.233 1.00 0.36 C ATOM 399 CD1 LEU A 179 -8.061 1.946 -6.126 1.00 0.43 C ATOM 400 CD2 LEU A 179 -9.548 3.954 -6.015 1.00 0.43 C ATOM 0 H LEU A 179 -9.406 3.281 -2.660 1.00 0.25 H new ATOM 0 HA LEU A 179 -11.568 3.456 -4.397 1.00 0.27 H new ATOM 0 HB2 LEU A 179 -9.611 1.164 -4.005 1.00 0.33 H new ATOM 0 HB3 LEU A 179 -10.598 1.431 -5.429 1.00 0.33 H new ATOM 0 HG LEU A 179 -8.348 3.196 -4.424 1.00 0.36 H new ATOM 0 HD11 LEU A 179 -7.276 2.571 -6.551 1.00 0.43 H new ATOM 0 HD12 LEU A 179 -7.610 1.147 -5.537 1.00 0.43 H new ATOM 0 HD13 LEU A 179 -8.655 1.512 -6.930 1.00 0.43 H new ATOM 0 HD21 LEU A 179 -8.743 4.552 -6.443 1.00 0.43 H new ATOM 0 HD22 LEU A 179 -10.180 3.569 -6.816 1.00 0.43 H new ATOM 0 HD23 LEU A 179 -10.146 4.575 -5.348 1.00 0.43 H new ATOM 412 N GLY A 180 -11.748 0.909 -2.289 1.00 0.25 N ATOM 413 CA GLY A 180 -12.677 -0.044 -1.712 1.00 0.27 C ATOM 414 C GLY A 180 -13.928 0.623 -1.175 1.00 0.26 C ATOM 415 O GLY A 180 -15.038 0.132 -1.378 1.00 0.29 O ATOM 0 H GLY A 180 -10.804 0.876 -1.904 1.00 0.25 H new ATOM 0 HA2 GLY A 180 -12.956 -0.779 -2.467 1.00 0.27 H new ATOM 0 HA3 GLY A 180 -12.183 -0.587 -0.906 1.00 0.27 H new ATOM 419 N ILE A 181 -13.749 1.745 -0.485 1.00 0.28 N ATOM 420 CA ILE A 181 -14.872 2.484 0.081 1.00 0.34 C ATOM 421 C ILE A 181 -15.809 2.984 -1.015 1.00 0.32 C ATOM 422 O ILE A 181 -17.023 2.800 -0.941 1.00 0.36 O ATOM 423 CB ILE A 181 -14.390 3.688 0.916 1.00 0.42 C ATOM 424 CG1 ILE A 181 -13.449 3.226 2.031 1.00 0.49 C ATOM 425 CG2 ILE A 181 -15.577 4.442 1.499 1.00 0.49 C ATOM 426 CD1 ILE A 181 -14.120 2.348 3.065 1.00 0.89 C ATOM 0 H ILE A 181 -12.836 2.163 -0.304 1.00 0.28 H new ATOM 0 HA ILE A 181 -15.410 1.793 0.730 1.00 0.34 H new ATOM 0 HB ILE A 181 -13.841 4.363 0.260 1.00 0.42 H new ATOM 0 HG12 ILE A 181 -12.616 2.680 1.589 1.00 0.49 H new ATOM 0 HG13 ILE A 181 -13.029 4.101 2.527 1.00 0.49 H new ATOM 0 HG21 ILE A 181 -15.218 5.288 2.085 1.00 0.49 H new ATOM 0 HG22 ILE A 181 -16.211 4.804 0.690 1.00 0.49 H new ATOM 0 HG23 ILE A 181 -16.153 3.775 2.140 1.00 0.49 H new ATOM 0 HD11 ILE A 181 -13.393 2.059 3.824 1.00 0.89 H new ATOM 0 HD12 ILE A 181 -14.936 2.898 3.535 1.00 0.89 H new ATOM 0 HD13 ILE A 181 -14.515 1.454 2.582 1.00 0.89 H new ATOM 438 N TYR A 182 -15.230 3.617 -2.032 1.00 0.31 N ATOM 439 CA TYR A 182 -16.005 4.155 -3.144 1.00 0.35 C ATOM 440 C TYR A 182 -16.843 3.070 -3.813 1.00 0.36 C ATOM 441 O TYR A 182 -18.044 3.239 -4.020 1.00 0.42 O ATOM 442 CB TYR A 182 -15.073 4.800 -4.171 1.00 0.39 C ATOM 443 CG TYR A 182 -15.797 5.617 -5.218 1.00 0.51 C ATOM 444 CD1 TYR A 182 -16.249 6.898 -4.931 1.00 1.43 C ATOM 445 CD2 TYR A 182 -16.029 5.107 -6.490 1.00 1.19 C ATOM 446 CE1 TYR A 182 -16.912 7.649 -5.882 1.00 1.56 C ATOM 447 CE2 TYR A 182 -16.692 5.853 -7.446 1.00 1.21 C ATOM 448 CZ TYR A 182 -17.131 7.123 -7.137 1.00 0.81 C ATOM 449 OH TYR A 182 -17.792 7.869 -8.085 1.00 0.98 O ATOM 0 H TYR A 182 -14.224 3.770 -2.108 1.00 0.31 H new ATOM 0 HA TYR A 182 -16.683 4.910 -2.746 1.00 0.35 H new ATOM 0 HB2 TYR A 182 -14.361 5.441 -3.651 1.00 0.39 H new ATOM 0 HB3 TYR A 182 -14.496 4.019 -4.667 1.00 0.39 H new ATOM 0 HD1 TYR A 182 -16.080 7.314 -3.949 1.00 1.43 H new ATOM 0 HD2 TYR A 182 -15.686 4.113 -6.735 1.00 1.19 H new ATOM 0 HE1 TYR A 182 -17.257 8.644 -5.643 1.00 1.56 H new ATOM 0 HE2 TYR A 182 -16.865 5.443 -8.430 1.00 1.21 H new ATOM 0 HH TYR A 182 -17.863 7.354 -8.916 1.00 0.98 H new ATOM 459 N ILE A 183 -16.200 1.957 -4.151 1.00 0.35 N ATOM 460 CA ILE A 183 -16.885 0.846 -4.801 1.00 0.43 C ATOM 461 C ILE A 183 -18.016 0.307 -3.931 1.00 0.45 C ATOM 462 O ILE A 183 -19.128 0.079 -4.409 1.00 0.55 O ATOM 463 CB ILE A 183 -15.904 -0.301 -5.124 1.00 0.48 C ATOM 464 CG1 ILE A 183 -14.773 0.204 -6.020 1.00 0.54 C ATOM 465 CG2 ILE A 183 -16.635 -1.460 -5.788 1.00 0.56 C ATOM 466 CD1 ILE A 183 -13.771 -0.867 -6.391 1.00 0.83 C ATOM 0 H ILE A 183 -15.206 1.801 -3.985 1.00 0.35 H new ATOM 0 HA ILE A 183 -17.304 1.231 -5.730 1.00 0.43 H new ATOM 0 HB ILE A 183 -15.472 -0.660 -4.190 1.00 0.48 H new ATOM 0 HG12 ILE A 183 -15.201 0.621 -6.932 1.00 0.54 H new ATOM 0 HG13 ILE A 183 -14.253 1.016 -5.512 1.00 0.54 H new ATOM 0 HG21 ILE A 183 -15.927 -2.259 -6.008 1.00 0.56 H new ATOM 0 HG22 ILE A 183 -17.408 -1.835 -5.117 1.00 0.56 H new ATOM 0 HG23 ILE A 183 -17.095 -1.117 -6.715 1.00 0.56 H new ATOM 0 HD11 ILE A 183 -12.998 -0.437 -7.027 1.00 0.83 H new ATOM 0 HD12 ILE A 183 -13.315 -1.268 -5.486 1.00 0.83 H new ATOM 0 HD13 ILE A 183 -14.278 -1.669 -6.928 1.00 0.83 H new ATOM 478 N GLY A 184 -17.725 0.105 -2.650 1.00 0.40 N ATOM 479 CA GLY A 184 -18.726 -0.411 -1.733 1.00 0.46 C ATOM 480 C GLY A 184 -19.921 0.511 -1.584 1.00 0.52 C ATOM 481 O GLY A 184 -21.067 0.068 -1.661 1.00 0.64 O ATOM 0 H GLY A 184 -16.814 0.289 -2.230 1.00 0.40 H new ATOM 0 HA2 GLY A 184 -19.066 -1.385 -2.085 1.00 0.46 H new ATOM 0 HA3 GLY A 184 -18.270 -0.567 -0.755 1.00 0.46 H new ATOM 485 N ARG A 185 -19.658 1.795 -1.368 1.00 0.48 N ATOM 486 CA ARG A 185 -20.726 2.776 -1.202 1.00 0.59 C ATOM 487 C ARG A 185 -21.631 2.815 -2.428 1.00 0.67 C ATOM 488 O ARG A 185 -22.815 3.133 -2.324 1.00 0.83 O ATOM 489 CB ARG A 185 -20.141 4.165 -0.943 1.00 0.59 C ATOM 490 CG ARG A 185 -19.324 4.703 -2.100 1.00 0.51 C ATOM 491 CD ARG A 185 -19.119 6.205 -1.989 1.00 0.85 C ATOM 492 NE ARG A 185 -18.362 6.567 -0.794 1.00 1.32 N ATOM 493 CZ ARG A 185 -18.138 7.821 -0.415 1.00 1.98 C ATOM 494 NH1 ARG A 185 -18.612 8.829 -1.136 1.00 2.27 N ATOM 495 NH2 ARG A 185 -17.439 8.070 0.685 1.00 2.54 N ATOM 0 H ARG A 185 -18.716 2.181 -1.304 1.00 0.48 H new ATOM 0 HA ARG A 185 -21.324 2.475 -0.342 1.00 0.59 H new ATOM 0 HB2 ARG A 185 -20.954 4.859 -0.729 1.00 0.59 H new ATOM 0 HB3 ARG A 185 -19.513 4.126 -0.053 1.00 0.59 H new ATOM 0 HG2 ARG A 185 -18.355 4.204 -2.125 1.00 0.51 H new ATOM 0 HG3 ARG A 185 -19.826 4.472 -3.039 1.00 0.51 H new ATOM 0 HD2 ARG A 185 -18.594 6.566 -2.874 1.00 0.85 H new ATOM 0 HD3 ARG A 185 -20.089 6.703 -1.969 1.00 0.85 H new ATOM 0 HE ARG A 185 -17.984 5.815 -0.218 1.00 1.32 H new ATOM 0 HH11 ARG A 185 -19.149 8.642 -1.983 1.00 2.27 H new ATOM 0 HH12 ARG A 185 -18.439 9.791 -0.844 1.00 2.27 H new ATOM 0 HH21 ARG A 185 -17.072 7.298 1.242 1.00 2.54 H new ATOM 0 HH22 ARG A 185 -17.268 9.033 0.974 1.00 2.54 H new ATOM 509 N ARG A 186 -21.069 2.494 -3.588 1.00 0.63 N ATOM 510 CA ARG A 186 -21.836 2.494 -4.827 1.00 0.74 C ATOM 511 C ARG A 186 -22.383 1.102 -5.127 1.00 0.85 C ATOM 512 O ARG A 186 -22.433 0.678 -6.282 1.00 1.06 O ATOM 513 CB ARG A 186 -20.977 2.984 -5.992 1.00 0.80 C ATOM 514 CG ARG A 186 -19.866 2.023 -6.387 1.00 1.24 C ATOM 515 CD ARG A 186 -19.111 2.527 -7.605 1.00 1.58 C ATOM 516 NE ARG A 186 -18.148 1.547 -8.102 1.00 2.38 N ATOM 517 CZ ARG A 186 -17.532 1.654 -9.275 1.00 2.95 C ATOM 518 NH1 ARG A 186 -17.778 2.692 -10.063 1.00 2.93 N ATOM 519 NH2 ARG A 186 -16.668 0.724 -9.662 1.00 3.95 N ATOM 0 H ARG A 186 -20.089 2.232 -3.696 1.00 0.63 H new ATOM 0 HA ARG A 186 -22.677 3.176 -4.702 1.00 0.74 H new ATOM 0 HB2 ARG A 186 -21.619 3.157 -6.856 1.00 0.80 H new ATOM 0 HB3 ARG A 186 -20.535 3.944 -5.726 1.00 0.80 H new ATOM 0 HG2 ARG A 186 -19.175 1.899 -5.553 1.00 1.24 H new ATOM 0 HG3 ARG A 186 -20.289 1.041 -6.599 1.00 1.24 H new ATOM 0 HD2 ARG A 186 -19.821 2.769 -8.396 1.00 1.58 H new ATOM 0 HD3 ARG A 186 -18.589 3.450 -7.351 1.00 1.58 H new ATOM 0 HE ARG A 186 -17.937 0.738 -7.518 1.00 2.38 H new ATOM 0 HH11 ARG A 186 -18.441 3.410 -9.769 1.00 2.93 H new ATOM 0 HH12 ARG A 186 -17.305 2.773 -10.963 1.00 2.93 H new ATOM 0 HH21 ARG A 186 -16.475 -0.076 -9.059 1.00 3.95 H new ATOM 0 HH22 ARG A 186 -16.197 0.809 -10.563 1.00 3.95 H new ATOM 775 N PRO B 167 7.156 -8.163 -2.386 1.00 0.73 N ATOM 776 CA PRO B 167 6.199 -8.962 -1.620 1.00 0.63 C ATOM 777 C PRO B 167 5.398 -8.131 -0.622 1.00 0.56 C ATOM 778 O PRO B 167 4.240 -8.436 -0.336 1.00 0.69 O ATOM 779 CB PRO B 167 7.077 -9.984 -0.881 1.00 0.87 C ATOM 780 CG PRO B 167 8.486 -9.742 -1.333 1.00 1.07 C ATOM 781 CD PRO B 167 8.411 -8.896 -2.573 1.00 0.96 C ATOM 0 HA PRO B 167 5.452 -9.416 -2.272 1.00 0.63 H new ATOM 0 HB2 PRO B 167 6.990 -9.861 0.199 1.00 0.87 H new ATOM 0 HB3 PRO B 167 6.765 -11.002 -1.112 1.00 0.87 H new ATOM 0 HG2 PRO B 167 9.059 -9.237 -0.556 1.00 1.07 H new ATOM 0 HG3 PRO B 167 8.992 -10.685 -1.540 1.00 1.07 H new ATOM 0 HD2 PRO B 167 9.265 -8.223 -2.657 1.00 0.96 H new ATOM 0 HD3 PRO B 167 8.394 -9.504 -3.478 1.00 0.96 H new ATOM 789 N SER B 168 6.017 -7.082 -0.092 1.00 0.55 N ATOM 790 CA SER B 168 5.355 -6.218 0.878 1.00 0.55 C ATOM 791 C SER B 168 4.424 -5.224 0.189 1.00 0.44 C ATOM 792 O SER B 168 3.293 -5.014 0.623 1.00 0.41 O ATOM 793 CB SER B 168 6.393 -5.466 1.713 1.00 0.72 C ATOM 794 OG SER B 168 5.768 -4.615 2.659 1.00 1.59 O ATOM 0 H SER B 168 6.974 -6.810 -0.317 1.00 0.55 H new ATOM 0 HA SER B 168 4.755 -6.850 1.533 1.00 0.55 H new ATOM 0 HB2 SER B 168 7.035 -6.180 2.230 1.00 0.72 H new ATOM 0 HB3 SER B 168 7.034 -4.877 1.057 1.00 0.72 H new ATOM 0 HG SER B 168 6.453 -4.147 3.181 1.00 1.59 H new ATOM 800 N LEU B 169 4.910 -4.615 -0.888 1.00 0.46 N ATOM 801 CA LEU B 169 4.124 -3.637 -1.635 1.00 0.45 C ATOM 802 C LEU B 169 2.866 -4.268 -2.226 1.00 0.33 C ATOM 803 O LEU B 169 1.775 -3.705 -2.130 1.00 0.31 O ATOM 804 CB LEU B 169 4.969 -3.019 -2.750 1.00 0.60 C ATOM 805 CG LEU B 169 6.282 -2.381 -2.295 1.00 0.77 C ATOM 806 CD1 LEU B 169 6.992 -1.724 -3.468 1.00 1.09 C ATOM 807 CD2 LEU B 169 6.025 -1.367 -1.189 1.00 0.77 C ATOM 0 H LEU B 169 5.844 -4.781 -1.263 1.00 0.46 H new ATOM 0 HA LEU B 169 3.817 -2.856 -0.939 1.00 0.45 H new ATOM 0 HB2 LEU B 169 5.195 -3.793 -3.484 1.00 0.60 H new ATOM 0 HB3 LEU B 169 4.373 -2.261 -3.258 1.00 0.60 H new ATOM 0 HG LEU B 169 6.928 -3.165 -1.900 1.00 0.77 H new ATOM 0 HD11 LEU B 169 7.924 -1.276 -3.124 1.00 1.09 H new ATOM 0 HD12 LEU B 169 7.209 -2.474 -4.228 1.00 1.09 H new ATOM 0 HD13 LEU B 169 6.353 -0.951 -3.893 1.00 1.09 H new ATOM 0 HD21 LEU B 169 6.970 -0.922 -0.876 1.00 0.77 H new ATOM 0 HD22 LEU B 169 5.361 -0.586 -1.559 1.00 0.77 H new ATOM 0 HD23 LEU B 169 5.560 -1.866 -0.339 1.00 0.77 H new ATOM 819 N LEU B 170 3.024 -5.440 -2.834 1.00 0.34 N ATOM 820 CA LEU B 170 1.898 -6.137 -3.450 1.00 0.36 C ATOM 821 C LEU B 170 0.799 -6.422 -2.430 1.00 0.28 C ATOM 822 O LEU B 170 -0.368 -6.100 -2.656 1.00 0.32 O ATOM 823 CB LEU B 170 2.359 -7.446 -4.100 1.00 0.47 C ATOM 824 CG LEU B 170 3.176 -7.288 -5.386 1.00 0.59 C ATOM 825 CD1 LEU B 170 4.588 -6.817 -5.078 1.00 0.60 C ATOM 826 CD2 LEU B 170 3.206 -8.598 -6.159 1.00 0.72 C ATOM 0 H LEU B 170 3.917 -5.926 -2.914 1.00 0.34 H new ATOM 0 HA LEU B 170 1.490 -5.484 -4.222 1.00 0.36 H new ATOM 0 HB2 LEU B 170 2.956 -8.001 -3.376 1.00 0.47 H new ATOM 0 HB3 LEU B 170 1.480 -8.052 -4.320 1.00 0.47 H new ATOM 0 HG LEU B 170 2.695 -6.530 -6.005 1.00 0.59 H new ATOM 0 HD11 LEU B 170 5.148 -6.713 -6.008 1.00 0.60 H new ATOM 0 HD12 LEU B 170 4.547 -5.854 -4.569 1.00 0.60 H new ATOM 0 HD13 LEU B 170 5.083 -7.546 -4.436 1.00 0.60 H new ATOM 0 HD21 LEU B 170 3.790 -8.470 -7.070 1.00 0.72 H new ATOM 0 HD22 LEU B 170 3.661 -9.374 -5.543 1.00 0.72 H new ATOM 0 HD23 LEU B 170 2.189 -8.891 -6.419 1.00 0.72 H new ATOM 838 N LEU B 171 1.176 -7.028 -1.310 1.00 0.24 N ATOM 839 CA LEU B 171 0.218 -7.356 -0.260 1.00 0.26 C ATOM 840 C LEU B 171 -0.491 -6.103 0.246 1.00 0.23 C ATOM 841 O LEU B 171 -1.701 -6.114 0.479 1.00 0.29 O ATOM 842 CB LEU B 171 0.919 -8.065 0.900 1.00 0.32 C ATOM 843 CG LEU B 171 1.497 -9.440 0.563 1.00 0.38 C ATOM 844 CD1 LEU B 171 2.214 -10.027 1.769 1.00 0.47 C ATOM 845 CD2 LEU B 171 0.398 -10.379 0.087 1.00 0.50 C ATOM 0 H LEU B 171 2.137 -7.302 -1.105 1.00 0.24 H new ATOM 0 HA LEU B 171 -0.530 -8.025 -0.685 1.00 0.26 H new ATOM 0 HB2 LEU B 171 1.726 -7.427 1.262 1.00 0.32 H new ATOM 0 HB3 LEU B 171 0.209 -8.177 1.720 1.00 0.32 H new ATOM 0 HG LEU B 171 2.221 -9.321 -0.243 1.00 0.38 H new ATOM 0 HD11 LEU B 171 2.619 -11.006 1.511 1.00 0.47 H new ATOM 0 HD12 LEU B 171 3.027 -9.365 2.067 1.00 0.47 H new ATOM 0 HD13 LEU B 171 1.511 -10.132 2.595 1.00 0.47 H new ATOM 0 HD21 LEU B 171 0.828 -11.353 -0.148 1.00 0.50 H new ATOM 0 HD22 LEU B 171 -0.349 -10.492 0.873 1.00 0.50 H new ATOM 0 HD23 LEU B 171 -0.073 -9.965 -0.805 1.00 0.50 H new ATOM 857 N SER B 172 0.268 -5.027 0.415 1.00 0.18 N ATOM 858 CA SER B 172 -0.287 -3.766 0.899 1.00 0.19 C ATOM 859 C SER B 172 -1.470 -3.314 0.045 1.00 0.14 C ATOM 860 O SER B 172 -2.547 -3.027 0.564 1.00 0.18 O ATOM 861 CB SER B 172 0.794 -2.684 0.909 1.00 0.23 C ATOM 862 OG SER B 172 1.842 -3.016 1.804 1.00 0.31 O ATOM 0 H SER B 172 1.270 -5.001 0.224 1.00 0.18 H new ATOM 0 HA SER B 172 -0.646 -3.927 1.915 1.00 0.19 H new ATOM 0 HB2 SER B 172 1.196 -2.559 -0.096 1.00 0.23 H new ATOM 0 HB3 SER B 172 0.354 -1.729 1.198 1.00 0.23 H new ATOM 0 HG SER B 172 2.378 -3.744 1.425 1.00 0.31 H new ATOM 868 N HIS B 173 -1.263 -3.255 -1.268 1.00 0.12 N ATOM 869 CA HIS B 173 -2.317 -2.832 -2.187 1.00 0.15 C ATOM 870 C HIS B 173 -3.516 -3.772 -2.126 1.00 0.20 C ATOM 871 O HIS B 173 -4.651 -3.336 -1.934 1.00 0.25 O ATOM 872 CB HIS B 173 -1.781 -2.773 -3.619 1.00 0.19 C ATOM 873 CG HIS B 173 -0.675 -1.782 -3.806 1.00 0.21 C ATOM 874 ND1 HIS B 173 0.651 -2.147 -3.919 1.00 0.26 N ATOM 875 CD2 HIS B 173 -0.703 -0.432 -3.909 1.00 0.25 C ATOM 876 CE1 HIS B 173 1.390 -1.064 -4.081 1.00 0.30 C ATOM 877 NE2 HIS B 173 0.594 -0.011 -4.080 1.00 0.28 N ATOM 0 H HIS B 173 -0.379 -3.493 -1.718 1.00 0.12 H new ATOM 0 HA HIS B 173 -2.644 -1.838 -1.881 1.00 0.15 H new ATOM 0 HB2 HIS B 173 -1.423 -3.762 -3.905 1.00 0.19 H new ATOM 0 HB3 HIS B 173 -2.599 -2.523 -4.294 1.00 0.19 H new ATOM 0 HD1 HIS B 173 1.005 -3.103 -3.883 1.00 0.26 H new ATOM 0 HD2 HIS B 173 -1.580 0.196 -3.865 1.00 0.25 H new ATOM 0 HE1 HIS B 173 2.464 -1.044 -4.195 1.00 0.30 H new ATOM 0 HE2 HIS B 173 0.893 0.958 -4.189 1.00 0.28 H new ATOM 886 N LEU B 174 -3.260 -5.066 -2.284 1.00 0.21 N ATOM 887 CA LEU B 174 -4.326 -6.060 -2.252 1.00 0.28 C ATOM 888 C LEU B 174 -5.121 -5.964 -0.955 1.00 0.28 C ATOM 889 O LEU B 174 -6.347 -5.856 -0.973 1.00 0.31 O ATOM 890 CB LEU B 174 -3.745 -7.468 -2.402 1.00 0.32 C ATOM 891 CG LEU B 174 -2.926 -7.699 -3.673 1.00 0.34 C ATOM 892 CD1 LEU B 174 -2.418 -9.131 -3.727 1.00 0.40 C ATOM 893 CD2 LEU B 174 -3.756 -7.377 -4.907 1.00 0.44 C ATOM 0 H LEU B 174 -2.327 -5.450 -2.435 1.00 0.21 H new ATOM 0 HA LEU B 174 -4.998 -5.860 -3.086 1.00 0.28 H new ATOM 0 HB2 LEU B 174 -3.114 -7.678 -1.538 1.00 0.32 H new ATOM 0 HB3 LEU B 174 -4.564 -8.187 -2.380 1.00 0.32 H new ATOM 0 HG LEU B 174 -2.065 -7.031 -3.655 1.00 0.34 H new ATOM 0 HD11 LEU B 174 -1.838 -9.277 -4.638 1.00 0.40 H new ATOM 0 HD12 LEU B 174 -1.787 -9.326 -2.860 1.00 0.40 H new ATOM 0 HD13 LEU B 174 -3.264 -9.818 -3.722 1.00 0.40 H new ATOM 0 HD21 LEU B 174 -3.158 -7.547 -5.802 1.00 0.44 H new ATOM 0 HD22 LEU B 174 -4.636 -8.020 -4.931 1.00 0.44 H new ATOM 0 HD23 LEU B 174 -4.069 -6.334 -4.873 1.00 0.44 H new ATOM 905 N LEU B 175 -4.414 -6.003 0.168 1.00 0.27 N ATOM 906 CA LEU B 175 -5.051 -5.923 1.477 1.00 0.30 C ATOM 907 C LEU B 175 -5.765 -4.588 1.667 1.00 0.27 C ATOM 908 O LEU B 175 -6.916 -4.545 2.100 1.00 0.28 O ATOM 909 CB LEU B 175 -4.015 -6.119 2.584 1.00 0.33 C ATOM 910 CG LEU B 175 -3.361 -7.501 2.619 1.00 0.38 C ATOM 911 CD1 LEU B 175 -2.367 -7.592 3.765 1.00 0.43 C ATOM 912 CD2 LEU B 175 -4.420 -8.585 2.740 1.00 0.46 C ATOM 0 H LEU B 175 -3.398 -6.090 0.198 1.00 0.27 H new ATOM 0 HA LEU B 175 -5.794 -6.718 1.534 1.00 0.30 H new ATOM 0 HB2 LEU B 175 -3.235 -5.367 2.468 1.00 0.33 H new ATOM 0 HB3 LEU B 175 -4.494 -5.936 3.546 1.00 0.33 H new ATOM 0 HG LEU B 175 -2.819 -7.652 1.685 1.00 0.38 H new ATOM 0 HD11 LEU B 175 -1.912 -8.582 3.774 1.00 0.43 H new ATOM 0 HD12 LEU B 175 -1.591 -6.837 3.635 1.00 0.43 H new ATOM 0 HD13 LEU B 175 -2.884 -7.422 4.709 1.00 0.43 H new ATOM 0 HD21 LEU B 175 -3.939 -9.563 2.764 1.00 0.46 H new ATOM 0 HD22 LEU B 175 -4.988 -8.438 3.659 1.00 0.46 H new ATOM 0 HD23 LEU B 175 -5.094 -8.533 1.885 1.00 0.46 H new ATOM 924 N ALA B 176 -5.076 -3.500 1.338 1.00 0.25 N ATOM 925 CA ALA B 176 -5.641 -2.165 1.491 1.00 0.23 C ATOM 926 C ALA B 176 -6.973 -2.027 0.758 1.00 0.20 C ATOM 927 O ALA B 176 -7.979 -1.632 1.351 1.00 0.20 O ATOM 928 CB ALA B 176 -4.653 -1.122 0.995 1.00 0.24 C ATOM 0 H ALA B 176 -4.127 -3.517 0.964 1.00 0.25 H new ATOM 0 HA ALA B 176 -5.833 -2.003 2.552 1.00 0.23 H new ATOM 0 HB1 ALA B 176 -5.084 -0.128 1.113 1.00 0.24 H new ATOM 0 HB2 ALA B 176 -3.732 -1.189 1.573 1.00 0.24 H new ATOM 0 HB3 ALA B 176 -4.434 -1.300 -0.058 1.00 0.24 H new ATOM 934 N ILE B 177 -6.981 -2.363 -0.528 1.00 0.20 N ATOM 935 CA ILE B 177 -8.198 -2.270 -1.326 1.00 0.20 C ATOM 936 C ILE B 177 -9.274 -3.205 -0.786 1.00 0.20 C ATOM 937 O ILE B 177 -10.442 -2.830 -0.680 1.00 0.20 O ATOM 938 CB ILE B 177 -7.938 -2.601 -2.809 1.00 0.24 C ATOM 939 CG1 ILE B 177 -6.859 -1.677 -3.377 1.00 0.25 C ATOM 940 CG2 ILE B 177 -9.223 -2.473 -3.613 1.00 0.26 C ATOM 941 CD1 ILE B 177 -6.565 -1.924 -4.840 1.00 0.31 C ATOM 0 H ILE B 177 -6.164 -2.700 -1.037 1.00 0.20 H new ATOM 0 HA ILE B 177 -8.542 -1.238 -1.256 1.00 0.20 H new ATOM 0 HB ILE B 177 -7.587 -3.630 -2.880 1.00 0.24 H new ATOM 0 HG12 ILE B 177 -7.173 -0.641 -3.247 1.00 0.25 H new ATOM 0 HG13 ILE B 177 -5.942 -1.806 -2.803 1.00 0.25 H new ATOM 0 HG21 ILE B 177 -9.023 -2.710 -4.658 1.00 0.26 H new ATOM 0 HG22 ILE B 177 -9.968 -3.165 -3.220 1.00 0.26 H new ATOM 0 HG23 ILE B 177 -9.599 -1.453 -3.538 1.00 0.26 H new ATOM 0 HD11 ILE B 177 -5.791 -1.234 -5.177 1.00 0.31 H new ATOM 0 HD12 ILE B 177 -6.221 -2.949 -4.974 1.00 0.31 H new ATOM 0 HD13 ILE B 177 -7.471 -1.766 -5.425 1.00 0.31 H new ATOM 953 N GLY B 178 -8.872 -4.424 -0.440 1.00 0.23 N ATOM 954 CA GLY B 178 -9.815 -5.390 0.089 1.00 0.26 C ATOM 955 C GLY B 178 -10.524 -4.877 1.327 1.00 0.24 C ATOM 956 O GLY B 178 -11.746 -4.964 1.432 1.00 0.26 O ATOM 0 H GLY B 178 -7.912 -4.759 -0.517 1.00 0.23 H new ATOM 0 HA2 GLY B 178 -10.552 -5.632 -0.676 1.00 0.26 H new ATOM 0 HA3 GLY B 178 -9.290 -6.314 0.330 1.00 0.26 H new ATOM 960 N LEU B 179 -9.751 -4.339 2.266 1.00 0.25 N ATOM 961 CA LEU B 179 -10.310 -3.801 3.498 1.00 0.28 C ATOM 962 C LEU B 179 -11.377 -2.756 3.191 1.00 0.25 C ATOM 963 O LEU B 179 -12.498 -2.833 3.696 1.00 0.29 O ATOM 964 CB LEU B 179 -9.205 -3.182 4.358 1.00 0.33 C ATOM 965 CG LEU B 179 -8.192 -4.177 4.928 1.00 0.39 C ATOM 966 CD1 LEU B 179 -7.090 -3.446 5.677 1.00 0.47 C ATOM 967 CD2 LEU B 179 -8.887 -5.178 5.841 1.00 0.43 C ATOM 0 H LEU B 179 -8.736 -4.265 2.195 1.00 0.25 H new ATOM 0 HA LEU B 179 -10.771 -4.620 4.050 1.00 0.28 H new ATOM 0 HB2 LEU B 179 -8.670 -2.445 3.759 1.00 0.33 H new ATOM 0 HB3 LEU B 179 -9.668 -2.645 5.185 1.00 0.33 H new ATOM 0 HG LEU B 179 -7.739 -4.722 4.100 1.00 0.39 H new ATOM 0 HD11 LEU B 179 -6.379 -4.170 6.075 1.00 0.47 H new ATOM 0 HD12 LEU B 179 -6.575 -2.768 4.996 1.00 0.47 H new ATOM 0 HD13 LEU B 179 -7.525 -2.875 6.497 1.00 0.47 H new ATOM 0 HD21 LEU B 179 -8.153 -5.879 6.238 1.00 0.43 H new ATOM 0 HD22 LEU B 179 -9.366 -4.648 6.665 1.00 0.43 H new ATOM 0 HD23 LEU B 179 -9.641 -5.725 5.275 1.00 0.43 H new ATOM 979 N GLY B 180 -11.024 -1.783 2.355 1.00 0.22 N ATOM 980 CA GLY B 180 -11.966 -0.742 1.994 1.00 0.23 C ATOM 981 C GLY B 180 -13.286 -1.312 1.512 1.00 0.22 C ATOM 982 O GLY B 180 -14.353 -0.808 1.862 1.00 0.27 O ATOM 0 H GLY B 180 -10.104 -1.698 1.923 1.00 0.22 H new ATOM 0 HA2 GLY B 180 -12.142 -0.098 2.856 1.00 0.23 H new ATOM 0 HA3 GLY B 180 -11.534 -0.117 1.212 1.00 0.23 H new ATOM 986 N ILE B 181 -13.211 -2.364 0.705 1.00 0.21 N ATOM 987 CA ILE B 181 -14.407 -3.011 0.182 1.00 0.27 C ATOM 988 C ILE B 181 -15.284 -3.522 1.322 1.00 0.29 C ATOM 989 O ILE B 181 -16.486 -3.274 1.349 1.00 0.35 O ATOM 990 CB ILE B 181 -14.049 -4.192 -0.749 1.00 0.34 C ATOM 991 CG1 ILE B 181 -13.248 -3.697 -1.954 1.00 0.38 C ATOM 992 CG2 ILE B 181 -15.308 -4.918 -1.210 1.00 0.44 C ATOM 993 CD1 ILE B 181 -14.066 -2.875 -2.927 1.00 0.93 C ATOM 0 H ILE B 181 -12.334 -2.787 0.399 1.00 0.21 H new ATOM 0 HA ILE B 181 -14.953 -2.263 -0.393 1.00 0.27 H new ATOM 0 HB ILE B 181 -13.435 -4.896 -0.187 1.00 0.34 H new ATOM 0 HG12 ILE B 181 -12.409 -3.098 -1.601 1.00 0.38 H new ATOM 0 HG13 ILE B 181 -12.829 -4.555 -2.479 1.00 0.38 H new ATOM 0 HG21 ILE B 181 -15.032 -5.745 -1.864 1.00 0.44 H new ATOM 0 HG22 ILE B 181 -15.844 -5.304 -0.343 1.00 0.44 H new ATOM 0 HG23 ILE B 181 -15.950 -4.224 -1.753 1.00 0.44 H new ATOM 0 HD11 ILE B 181 -13.434 -2.558 -3.756 1.00 0.93 H new ATOM 0 HD12 ILE B 181 -14.890 -3.477 -3.309 1.00 0.93 H new ATOM 0 HD13 ILE B 181 -14.464 -1.997 -2.417 1.00 0.93 H new ATOM 1005 N TYR B 182 -14.670 -4.231 2.262 1.00 0.31 N ATOM 1006 CA TYR B 182 -15.396 -4.787 3.398 1.00 0.40 C ATOM 1007 C TYR B 182 -16.230 -3.718 4.099 1.00 0.44 C ATOM 1008 O TYR B 182 -17.428 -3.896 4.315 1.00 0.52 O ATOM 1009 CB TYR B 182 -14.420 -5.419 4.393 1.00 0.44 C ATOM 1010 CG TYR B 182 -15.099 -6.096 5.562 1.00 0.56 C ATOM 1011 CD1 TYR B 182 -15.658 -5.350 6.591 1.00 1.42 C ATOM 1012 CD2 TYR B 182 -15.180 -7.480 5.635 1.00 1.25 C ATOM 1013 CE1 TYR B 182 -16.280 -5.965 7.661 1.00 1.52 C ATOM 1014 CE2 TYR B 182 -15.799 -8.103 6.702 1.00 1.30 C ATOM 1015 CZ TYR B 182 -16.347 -7.342 7.712 1.00 0.84 C ATOM 1016 OH TYR B 182 -16.963 -7.960 8.775 1.00 0.99 O ATOM 0 H TYR B 182 -13.671 -4.435 2.260 1.00 0.31 H new ATOM 0 HA TYR B 182 -16.072 -5.554 3.019 1.00 0.40 H new ATOM 0 HB2 TYR B 182 -13.803 -6.149 3.870 1.00 0.44 H new ATOM 0 HB3 TYR B 182 -13.749 -4.647 4.771 1.00 0.44 H new ATOM 0 HD1 TYR B 182 -15.606 -4.272 6.555 1.00 1.42 H new ATOM 0 HD2 TYR B 182 -14.752 -8.080 4.845 1.00 1.25 H new ATOM 0 HE1 TYR B 182 -16.711 -5.371 8.453 1.00 1.52 H new ATOM 0 HE2 TYR B 182 -15.853 -9.181 6.744 1.00 1.30 H new ATOM 0 HH TYR B 182 -16.924 -8.932 8.656 1.00 0.99 H new ATOM 1026 N ILE B 183 -15.591 -2.611 4.459 1.00 0.44 N ATOM 1027 CA ILE B 183 -16.285 -1.523 5.137 1.00 0.55 C ATOM 1028 C ILE B 183 -17.368 -0.913 4.242 1.00 0.56 C ATOM 1029 O ILE B 183 -18.524 -0.792 4.647 1.00 0.67 O ATOM 1030 CB ILE B 183 -15.299 -0.419 5.597 1.00 0.60 C ATOM 1031 CG1 ILE B 183 -14.339 -0.967 6.657 1.00 0.63 C ATOM 1032 CG2 ILE B 183 -16.047 0.792 6.147 1.00 0.74 C ATOM 1033 CD1 ILE B 183 -13.194 -1.776 6.089 1.00 1.10 C ATOM 0 H ILE B 183 -14.598 -2.444 4.294 1.00 0.44 H new ATOM 0 HA ILE B 183 -16.760 -1.950 6.020 1.00 0.55 H new ATOM 0 HB ILE B 183 -14.724 -0.101 4.727 1.00 0.60 H new ATOM 0 HG12 ILE B 183 -13.933 -0.134 7.230 1.00 0.63 H new ATOM 0 HG13 ILE B 183 -14.900 -1.590 7.354 1.00 0.63 H new ATOM 0 HG21 ILE B 183 -15.330 1.550 6.462 1.00 0.74 H new ATOM 0 HG22 ILE B 183 -16.693 1.203 5.372 1.00 0.74 H new ATOM 0 HG23 ILE B 183 -16.653 0.489 7.001 1.00 0.74 H new ATOM 0 HD11 ILE B 183 -12.559 -2.129 6.902 1.00 1.10 H new ATOM 0 HD12 ILE B 183 -13.589 -2.631 5.540 1.00 1.10 H new ATOM 0 HD13 ILE B 183 -12.607 -1.152 5.415 1.00 1.10 H new ATOM 1045 N GLY B 184 -16.983 -0.532 3.028 1.00 0.49 N ATOM 1046 CA GLY B 184 -17.925 0.073 2.102 1.00 0.55 C ATOM 1047 C GLY B 184 -19.069 -0.848 1.715 1.00 0.61 C ATOM 1048 O GLY B 184 -20.237 -0.477 1.829 1.00 0.72 O ATOM 0 H GLY B 184 -16.034 -0.631 2.668 1.00 0.49 H new ATOM 0 HA2 GLY B 184 -18.334 0.978 2.551 1.00 0.55 H new ATOM 0 HA3 GLY B 184 -17.392 0.377 1.201 1.00 0.55 H new ATOM 1052 N ARG B 185 -18.736 -2.051 1.258 1.00 0.58 N ATOM 1053 CA ARG B 185 -19.744 -3.020 0.841 1.00 0.70 C ATOM 1054 C ARG B 185 -20.758 -3.286 1.951 1.00 0.81 C ATOM 1055 O ARG B 185 -21.861 -3.766 1.689 1.00 0.96 O ATOM 1056 CB ARG B 185 -19.078 -4.327 0.407 1.00 0.71 C ATOM 1057 CG ARG B 185 -18.425 -5.088 1.544 1.00 0.66 C ATOM 1058 CD ARG B 185 -19.368 -6.116 2.141 1.00 0.80 C ATOM 1059 NE ARG B 185 -19.742 -7.142 1.171 1.00 1.20 N ATOM 1060 CZ ARG B 185 -19.010 -8.224 0.919 1.00 1.57 C ATOM 1061 NH1 ARG B 185 -17.863 -8.418 1.556 1.00 1.68 N ATOM 1062 NH2 ARG B 185 -19.424 -9.112 0.025 1.00 2.16 N ATOM 0 H ARG B 185 -17.774 -2.379 1.167 1.00 0.58 H new ATOM 0 HA ARG B 185 -20.282 -2.596 -0.007 1.00 0.70 H new ATOM 0 HB2 ARG B 185 -19.825 -4.966 -0.063 1.00 0.71 H new ATOM 0 HB3 ARG B 185 -18.325 -4.106 -0.350 1.00 0.71 H new ATOM 0 HG2 ARG B 185 -17.526 -5.586 1.181 1.00 0.66 H new ATOM 0 HG3 ARG B 185 -18.111 -4.388 2.318 1.00 0.66 H new ATOM 0 HD2 ARG B 185 -18.894 -6.587 3.002 1.00 0.80 H new ATOM 0 HD3 ARG B 185 -20.266 -5.617 2.505 1.00 0.80 H new ATOM 0 HE ARG B 185 -20.615 -7.022 0.657 1.00 1.20 H new ATOM 0 HH11 ARG B 185 -17.539 -7.736 2.242 1.00 1.68 H new ATOM 0 HH12 ARG B 185 -17.305 -9.249 1.360 1.00 1.68 H new ATOM 0 HH21 ARG B 185 -20.304 -8.966 -0.470 1.00 2.16 H new ATOM 0 HH22 ARG B 185 -18.862 -9.941 -0.168 1.00 2.16 H new