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 78:sc= 1.4 USER MOD Set 1.2: B 173 HIS : +bothHN:sc= -3.19! C(o=-1.8!,f=-7.1!) USER MOD Set 2.1: A 173 HIS : no HE2:sc= -1.7! C(o=-1.4!,f=-7.7!) USER MOD Set 2.2: B 172 SER OG : rot 68:sc= 0.335 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 6.014 9.127 0.751 1.00 0.73 N ATOM 209 CA PRO A 167 4.615 9.341 0.378 1.00 0.67 C ATOM 210 C PRO A 167 4.046 8.188 -0.442 1.00 0.55 C ATOM 211 O PRO A 167 2.886 7.811 -0.279 1.00 0.58 O ATOM 212 CB PRO A 167 4.684 10.611 -0.465 1.00 0.86 C ATOM 213 CG PRO A 167 6.016 10.536 -1.129 1.00 0.98 C ATOM 214 CD PRO A 167 6.936 9.840 -0.158 1.00 0.91 C ATOM 0 HA PRO A 167 3.961 9.414 1.247 1.00 0.67 H new ATOM 0 HB2 PRO A 167 3.876 10.649 -1.196 1.00 0.86 H new ATOM 0 HB3 PRO A 167 4.597 11.505 0.153 1.00 0.86 H new ATOM 0 HG2 PRO A 167 5.952 9.985 -2.067 1.00 0.98 H new ATOM 0 HG3 PRO A 167 6.387 11.532 -1.370 1.00 0.98 H new ATOM 0 HD2 PRO A 167 7.608 9.150 -0.668 1.00 0.91 H new ATOM 0 HD3 PRO A 167 7.560 10.552 0.382 1.00 0.91 H new ATOM 222 N SER A 168 4.871 7.630 -1.323 1.00 0.55 N ATOM 223 CA SER A 168 4.449 6.522 -2.176 1.00 0.52 C ATOM 224 C SER A 168 3.748 5.435 -1.367 1.00 0.39 C ATOM 225 O SER A 168 2.638 5.019 -1.700 1.00 0.33 O ATOM 226 CB SER A 168 5.654 5.930 -2.908 1.00 0.66 C ATOM 227 OG SER A 168 6.284 6.901 -3.726 1.00 1.47 O ATOM 0 H SER A 168 5.836 7.927 -1.465 1.00 0.55 H new ATOM 0 HA SER A 168 3.740 6.914 -2.906 1.00 0.52 H new ATOM 0 HB2 SER A 168 6.369 5.542 -2.183 1.00 0.66 H new ATOM 0 HB3 SER A 168 5.333 5.087 -3.521 1.00 0.66 H new ATOM 0 HG SER A 168 7.052 6.497 -4.181 1.00 1.47 H new ATOM 233 N LEU A 169 4.402 4.980 -0.305 1.00 0.40 N ATOM 234 CA LEU A 169 3.842 3.939 0.549 1.00 0.36 C ATOM 235 C LEU A 169 2.532 4.397 1.182 1.00 0.28 C ATOM 236 O LEU A 169 1.531 3.681 1.148 1.00 0.26 O ATOM 237 CB LEU A 169 4.843 3.554 1.640 1.00 0.47 C ATOM 238 CG LEU A 169 6.141 2.922 1.135 1.00 0.59 C ATOM 239 CD1 LEU A 169 7.016 2.500 2.303 1.00 0.73 C ATOM 240 CD2 LEU A 169 5.839 1.734 0.232 1.00 0.62 C ATOM 0 H LEU A 169 5.320 5.315 -0.014 1.00 0.40 H new ATOM 0 HA LEU A 169 3.637 3.067 -0.072 1.00 0.36 H new ATOM 0 HB2 LEU A 169 5.091 4.446 2.215 1.00 0.47 H new ATOM 0 HB3 LEU A 169 4.360 2.857 2.325 1.00 0.47 H new ATOM 0 HG LEU A 169 6.684 3.666 0.552 1.00 0.59 H new ATOM 0 HD11 LEU A 169 7.935 2.052 1.926 1.00 0.73 H new ATOM 0 HD12 LEU A 169 7.259 3.373 2.909 1.00 0.73 H new ATOM 0 HD13 LEU A 169 6.482 1.772 2.913 1.00 0.73 H new ATOM 0 HD21 LEU A 169 6.774 1.296 -0.118 1.00 0.62 H new ATOM 0 HD22 LEU A 169 5.275 0.987 0.790 1.00 0.62 H new ATOM 0 HD23 LEU A 169 5.251 2.067 -0.623 1.00 0.62 H new ATOM 252 N LEU A 170 2.548 5.594 1.759 1.00 0.31 N ATOM 253 CA LEU A 170 1.363 6.152 2.403 1.00 0.33 C ATOM 254 C LEU A 170 0.204 6.262 1.418 1.00 0.26 C ATOM 255 O LEU A 170 -0.911 5.826 1.703 1.00 0.27 O ATOM 256 CB LEU A 170 1.682 7.531 2.985 1.00 0.42 C ATOM 257 CG LEU A 170 2.777 7.546 4.054 1.00 0.52 C ATOM 258 CD1 LEU A 170 3.106 8.975 4.458 1.00 0.63 C ATOM 259 CD2 LEU A 170 2.347 6.732 5.266 1.00 0.60 C ATOM 0 H LEU A 170 3.369 6.198 1.794 1.00 0.31 H new ATOM 0 HA LEU A 170 1.067 5.479 3.208 1.00 0.33 H new ATOM 0 HB2 LEU A 170 1.981 8.192 2.171 1.00 0.42 H new ATOM 0 HB3 LEU A 170 0.771 7.947 3.414 1.00 0.42 H new ATOM 0 HG LEU A 170 3.676 7.092 3.636 1.00 0.52 H new ATOM 0 HD11 LEU A 170 3.886 8.967 5.219 1.00 0.63 H new ATOM 0 HD12 LEU A 170 3.455 9.529 3.586 1.00 0.63 H new ATOM 0 HD13 LEU A 170 2.213 9.455 4.859 1.00 0.63 H new ATOM 0 HD21 LEU A 170 3.137 6.753 6.017 1.00 0.60 H new ATOM 0 HD22 LEU A 170 1.436 7.158 5.686 1.00 0.60 H new ATOM 0 HD23 LEU A 170 2.160 5.701 4.964 1.00 0.60 H new ATOM 271 N LEU A 171 0.475 6.849 0.257 1.00 0.23 N ATOM 272 CA LEU A 171 -0.544 7.026 -0.772 1.00 0.22 C ATOM 273 C LEU A 171 -1.108 5.685 -1.233 1.00 0.18 C ATOM 274 O LEU A 171 -2.316 5.544 -1.421 1.00 0.21 O ATOM 275 CB LEU A 171 0.036 7.786 -1.967 1.00 0.26 C ATOM 276 CG LEU A 171 0.504 9.210 -1.661 1.00 0.33 C ATOM 277 CD1 LEU A 171 1.030 9.882 -2.921 1.00 0.39 C ATOM 278 CD2 LEU A 171 -0.631 10.022 -1.057 1.00 0.40 C ATOM 0 H LEU A 171 1.394 7.211 0.004 1.00 0.23 H new ATOM 0 HA LEU A 171 -1.359 7.605 -0.337 1.00 0.22 H new ATOM 0 HB2 LEU A 171 0.879 7.220 -2.364 1.00 0.26 H new ATOM 0 HB3 LEU A 171 -0.718 7.828 -2.753 1.00 0.26 H new ATOM 0 HG LEU A 171 1.316 9.159 -0.936 1.00 0.33 H new ATOM 0 HD11 LEU A 171 1.358 10.894 -2.684 1.00 0.39 H new ATOM 0 HD12 LEU A 171 1.871 9.311 -3.314 1.00 0.39 H new ATOM 0 HD13 LEU A 171 0.238 9.923 -3.669 1.00 0.39 H new ATOM 0 HD21 LEU A 171 -0.282 11.033 -0.845 1.00 0.40 H new ATOM 0 HD22 LEU A 171 -1.462 10.065 -1.761 1.00 0.40 H new ATOM 0 HD23 LEU A 171 -0.963 9.551 -0.132 1.00 0.40 H new ATOM 290 N SER A 172 -0.234 4.701 -1.413 1.00 0.16 N ATOM 291 CA SER A 172 -0.661 3.380 -1.860 1.00 0.16 C ATOM 292 C SER A 172 -1.718 2.797 -0.927 1.00 0.15 C ATOM 293 O SER A 172 -2.796 2.396 -1.369 1.00 0.19 O ATOM 294 CB SER A 172 0.539 2.435 -1.939 1.00 0.19 C ATOM 295 OG SER A 172 1.476 2.880 -2.905 1.00 0.23 O ATOM 0 H SER A 172 0.770 4.792 -1.257 1.00 0.16 H new ATOM 0 HA SER A 172 -1.101 3.488 -2.851 1.00 0.16 H new ATOM 0 HB2 SER A 172 1.020 2.371 -0.963 1.00 0.19 H new ATOM 0 HB3 SER A 172 0.199 1.431 -2.193 1.00 0.19 H new ATOM 0 HG SER A 172 1.998 3.623 -2.536 1.00 0.23 H new ATOM 301 N HIS A 173 -1.407 2.755 0.362 1.00 0.13 N ATOM 302 CA HIS A 173 -2.336 2.227 1.356 1.00 0.17 C ATOM 303 C HIS A 173 -3.605 3.072 1.413 1.00 0.22 C ATOM 304 O HIS A 173 -4.715 2.551 1.322 1.00 0.27 O ATOM 305 CB HIS A 173 -1.670 2.178 2.733 1.00 0.20 C ATOM 306 CG HIS A 173 -0.472 1.281 2.785 1.00 0.20 C ATOM 307 ND1 HIS A 173 0.823 1.747 2.703 1.00 0.25 N ATOM 308 CD2 HIS A 173 -0.377 -0.065 2.913 1.00 0.25 C ATOM 309 CE1 HIS A 173 1.663 0.729 2.776 1.00 0.29 C ATOM 310 NE2 HIS A 173 0.959 -0.380 2.905 1.00 0.27 N ATOM 0 H HIS A 173 -0.519 3.080 0.745 1.00 0.13 H new ATOM 0 HA HIS A 173 -2.611 1.214 1.062 1.00 0.17 H new ATOM 0 HB2 HIS A 173 -1.372 3.186 3.020 1.00 0.20 H new ATOM 0 HB3 HIS A 173 -2.400 1.840 3.469 1.00 0.20 H new ATOM 0 HD1 HIS A 173 1.091 2.726 2.602 1.00 0.25 H new ATOM 0 HD2 HIS A 173 -1.199 -0.760 3.004 1.00 0.25 H new ATOM 0 HE1 HIS A 173 2.740 0.794 2.737 1.00 0.29 H new ATOM 319 N LEU A 174 -3.430 4.382 1.561 1.00 0.23 N ATOM 320 CA LEU A 174 -4.558 5.305 1.634 1.00 0.29 C ATOM 321 C LEU A 174 -5.436 5.205 0.389 1.00 0.29 C ATOM 322 O LEU A 174 -6.652 5.033 0.486 1.00 0.34 O ATOM 323 CB LEU A 174 -4.056 6.739 1.801 1.00 0.32 C ATOM 324 CG LEU A 174 -3.293 7.012 3.098 1.00 0.36 C ATOM 325 CD1 LEU A 174 -2.716 8.419 3.094 1.00 0.41 C ATOM 326 CD2 LEU A 174 -4.203 6.811 4.301 1.00 0.47 C ATOM 0 H LEU A 174 -2.516 4.829 1.633 1.00 0.23 H new ATOM 0 HA LEU A 174 -5.161 5.030 2.500 1.00 0.29 H new ATOM 0 HB2 LEU A 174 -3.408 6.981 0.959 1.00 0.32 H new ATOM 0 HB3 LEU A 174 -4.910 7.415 1.751 1.00 0.32 H new ATOM 0 HG LEU A 174 -2.467 6.304 3.167 1.00 0.36 H new ATOM 0 HD11 LEU A 174 -2.177 8.594 4.025 1.00 0.41 H new ATOM 0 HD12 LEU A 174 -2.032 8.529 2.253 1.00 0.41 H new ATOM 0 HD13 LEU A 174 -3.525 9.144 3.001 1.00 0.41 H new ATOM 0 HD21 LEU A 174 -3.645 7.009 5.216 1.00 0.47 H new ATOM 0 HD22 LEU A 174 -5.049 7.496 4.236 1.00 0.47 H new ATOM 0 HD23 LEU A 174 -4.568 5.784 4.314 1.00 0.47 H new ATOM 338 N LEU A 175 -4.810 5.312 -0.779 1.00 0.26 N ATOM 339 CA LEU A 175 -5.532 5.241 -2.044 1.00 0.28 C ATOM 340 C LEU A 175 -6.260 3.908 -2.192 1.00 0.27 C ATOM 341 O LEU A 175 -7.448 3.874 -2.509 1.00 0.29 O ATOM 342 CB LEU A 175 -4.568 5.444 -3.215 1.00 0.30 C ATOM 343 CG LEU A 175 -3.973 6.849 -3.329 1.00 0.33 C ATOM 344 CD1 LEU A 175 -2.924 6.899 -4.429 1.00 0.37 C ATOM 345 CD2 LEU A 175 -5.068 7.870 -3.591 1.00 0.41 C ATOM 0 H LEU A 175 -3.804 5.448 -0.875 1.00 0.26 H new ATOM 0 HA LEU A 175 -6.277 6.037 -2.050 1.00 0.28 H new ATOM 0 HB2 LEU A 175 -3.752 4.727 -3.122 1.00 0.30 H new ATOM 0 HB3 LEU A 175 -5.093 5.212 -4.142 1.00 0.30 H new ATOM 0 HG LEU A 175 -3.490 7.095 -2.383 1.00 0.33 H new ATOM 0 HD11 LEU A 175 -2.513 7.906 -4.494 1.00 0.37 H new ATOM 0 HD12 LEU A 175 -2.124 6.195 -4.201 1.00 0.37 H new ATOM 0 HD13 LEU A 175 -3.382 6.632 -5.381 1.00 0.37 H new ATOM 0 HD21 LEU A 175 -4.628 8.864 -3.669 1.00 0.41 H new ATOM 0 HD22 LEU A 175 -5.579 7.625 -4.522 1.00 0.41 H new ATOM 0 HD23 LEU A 175 -5.784 7.854 -2.769 1.00 0.41 H new ATOM 357 N ALA A 176 -5.545 2.812 -1.956 1.00 0.26 N ATOM 358 CA ALA A 176 -6.130 1.481 -2.073 1.00 0.27 C ATOM 359 C ALA A 176 -7.425 1.379 -1.271 1.00 0.26 C ATOM 360 O ALA A 176 -8.470 0.989 -1.802 1.00 0.27 O ATOM 361 CB ALA A 176 -5.134 0.429 -1.608 1.00 0.27 C ATOM 0 H ALA A 176 -4.562 2.819 -1.683 1.00 0.26 H new ATOM 0 HA ALA A 176 -6.369 1.303 -3.122 1.00 0.27 H new ATOM 0 HB1 ALA A 176 -5.581 -0.561 -1.700 1.00 0.27 H new ATOM 0 HB2 ALA A 176 -4.236 0.480 -2.224 1.00 0.27 H new ATOM 0 HB3 ALA A 176 -4.870 0.613 -0.567 1.00 0.27 H new ATOM 367 N ILE A 177 -7.356 1.740 0.007 1.00 0.27 N ATOM 368 CA ILE A 177 -8.529 1.695 0.867 1.00 0.28 C ATOM 369 C ILE A 177 -9.643 2.554 0.284 1.00 0.26 C ATOM 370 O ILE A 177 -10.803 2.144 0.245 1.00 0.26 O ATOM 371 CB ILE A 177 -8.205 2.177 2.297 1.00 0.31 C ATOM 372 CG1 ILE A 177 -7.116 1.301 2.918 1.00 0.36 C ATOM 373 CG2 ILE A 177 -9.458 2.159 3.163 1.00 0.33 C ATOM 374 CD1 ILE A 177 -6.708 1.740 4.307 1.00 0.62 C ATOM 0 H ILE A 177 -6.505 2.065 0.466 1.00 0.27 H new ATOM 0 HA ILE A 177 -8.855 0.656 0.921 1.00 0.28 H new ATOM 0 HB ILE A 177 -7.839 3.202 2.242 1.00 0.31 H new ATOM 0 HG12 ILE A 177 -7.470 0.271 2.960 1.00 0.36 H new ATOM 0 HG13 ILE A 177 -6.239 1.311 2.270 1.00 0.36 H new ATOM 0 HG21 ILE A 177 -9.211 2.502 4.168 1.00 0.33 H new ATOM 0 HG22 ILE A 177 -10.210 2.819 2.729 1.00 0.33 H new ATOM 0 HG23 ILE A 177 -9.851 1.144 3.213 1.00 0.33 H new ATOM 0 HD11 ILE A 177 -5.933 1.074 4.686 1.00 0.62 H new ATOM 0 HD12 ILE A 177 -6.324 2.759 4.268 1.00 0.62 H new ATOM 0 HD13 ILE A 177 -7.573 1.703 4.969 1.00 0.62 H new ATOM 386 N GLY A 178 -9.281 3.747 -0.175 1.00 0.26 N ATOM 387 CA GLY A 178 -10.258 4.642 -0.762 1.00 0.27 C ATOM 388 C GLY A 178 -11.017 3.985 -1.896 1.00 0.26 C ATOM 389 O GLY A 178 -12.238 4.113 -1.992 1.00 0.28 O ATOM 0 H GLY A 178 -8.328 4.109 -0.151 1.00 0.26 H new ATOM 0 HA2 GLY A 178 -10.961 4.966 0.006 1.00 0.27 H new ATOM 0 HA3 GLY A 178 -9.755 5.536 -1.132 1.00 0.27 H new ATOM 393 N LEU A 179 -10.292 3.278 -2.759 1.00 0.25 N ATOM 394 CA LEU A 179 -10.910 2.590 -3.884 1.00 0.27 C ATOM 395 C LEU A 179 -11.991 1.640 -3.390 1.00 0.26 C ATOM 396 O LEU A 179 -13.134 1.688 -3.847 1.00 0.28 O ATOM 397 CB LEU A 179 -9.860 1.809 -4.679 1.00 0.33 C ATOM 398 CG LEU A 179 -8.705 2.644 -5.230 1.00 0.36 C ATOM 399 CD1 LEU A 179 -7.766 1.776 -6.054 1.00 0.43 C ATOM 400 CD2 LEU A 179 -9.234 3.802 -6.063 1.00 0.43 C ATOM 0 H LEU A 179 -9.280 3.168 -2.700 1.00 0.25 H new ATOM 0 HA LEU A 179 -11.361 3.337 -4.537 1.00 0.27 H new ATOM 0 HB2 LEU A 179 -9.449 1.029 -4.038 1.00 0.33 H new ATOM 0 HB3 LEU A 179 -10.356 1.310 -5.512 1.00 0.33 H new ATOM 0 HG LEU A 179 -8.144 3.054 -4.390 1.00 0.36 H new ATOM 0 HD11 LEU A 179 -6.949 2.387 -6.439 1.00 0.43 H new ATOM 0 HD12 LEU A 179 -7.361 0.982 -5.427 1.00 0.43 H new ATOM 0 HD13 LEU A 179 -8.314 1.337 -6.887 1.00 0.43 H new ATOM 0 HD21 LEU A 179 -8.398 4.386 -6.447 1.00 0.43 H new ATOM 0 HD22 LEU A 179 -9.819 3.413 -6.897 1.00 0.43 H new ATOM 0 HD23 LEU A 179 -9.865 4.438 -5.443 1.00 0.43 H new ATOM 412 N GLY A 180 -11.623 0.781 -2.444 1.00 0.25 N ATOM 413 CA GLY A 180 -12.576 -0.166 -1.896 1.00 0.27 C ATOM 414 C GLY A 180 -13.830 0.517 -1.389 1.00 0.26 C ATOM 415 O GLY A 180 -14.944 0.063 -1.654 1.00 0.29 O ATOM 0 H GLY A 180 -10.685 0.724 -2.048 1.00 0.25 H new ATOM 0 HA2 GLY A 180 -12.844 -0.894 -2.662 1.00 0.27 H new ATOM 0 HA3 GLY A 180 -12.109 -0.719 -1.080 1.00 0.27 H new ATOM 419 N ILE A 181 -13.648 1.613 -0.659 1.00 0.28 N ATOM 420 CA ILE A 181 -14.772 2.366 -0.117 1.00 0.34 C ATOM 421 C ILE A 181 -15.663 2.890 -1.237 1.00 0.32 C ATOM 422 O ILE A 181 -16.890 2.838 -1.146 1.00 0.36 O ATOM 423 CB ILE A 181 -14.293 3.552 0.746 1.00 0.42 C ATOM 424 CG1 ILE A 181 -13.402 3.055 1.885 1.00 0.49 C ATOM 425 CG2 ILE A 181 -15.484 4.323 1.298 1.00 0.49 C ATOM 426 CD1 ILE A 181 -14.119 2.145 2.857 1.00 0.89 C ATOM 0 H ILE A 181 -12.732 1.999 -0.430 1.00 0.28 H new ATOM 0 HA ILE A 181 -15.343 1.682 0.511 1.00 0.34 H new ATOM 0 HB ILE A 181 -13.709 4.225 0.118 1.00 0.42 H new ATOM 0 HG12 ILE A 181 -12.549 2.523 1.463 1.00 0.49 H new ATOM 0 HG13 ILE A 181 -13.006 3.914 2.427 1.00 0.49 H new ATOM 0 HG21 ILE A 181 -15.129 5.156 1.904 1.00 0.49 H new ATOM 0 HG22 ILE A 181 -16.084 4.705 0.472 1.00 0.49 H new ATOM 0 HG23 ILE A 181 -16.093 3.660 1.913 1.00 0.49 H new ATOM 0 HD11 ILE A 181 -13.427 1.830 3.639 1.00 0.89 H new ATOM 0 HD12 ILE A 181 -14.956 2.680 3.307 1.00 0.89 H new ATOM 0 HD13 ILE A 181 -14.491 1.268 2.327 1.00 0.89 H new ATOM 438 N TYR A 182 -15.037 3.395 -2.295 1.00 0.31 N ATOM 439 CA TYR A 182 -15.774 3.923 -3.435 1.00 0.35 C ATOM 440 C TYR A 182 -16.737 2.877 -3.984 1.00 0.36 C ATOM 441 O TYR A 182 -17.877 3.188 -4.329 1.00 0.42 O ATOM 442 CB TYR A 182 -14.807 4.370 -4.534 1.00 0.39 C ATOM 443 CG TYR A 182 -15.497 4.985 -5.731 1.00 0.51 C ATOM 444 CD1 TYR A 182 -15.762 6.347 -5.778 1.00 1.19 C ATOM 445 CD2 TYR A 182 -15.882 4.203 -6.814 1.00 1.43 C ATOM 446 CE1 TYR A 182 -16.393 6.913 -6.870 1.00 1.21 C ATOM 447 CE2 TYR A 182 -16.512 4.762 -7.909 1.00 1.56 C ATOM 448 CZ TYR A 182 -16.765 6.118 -7.933 1.00 0.81 C ATOM 449 OH TYR A 182 -17.392 6.679 -9.021 1.00 0.98 O ATOM 0 H TYR A 182 -14.022 3.449 -2.386 1.00 0.31 H new ATOM 0 HA TYR A 182 -16.350 4.785 -3.098 1.00 0.35 H new ATOM 0 HB2 TYR A 182 -14.106 5.093 -4.118 1.00 0.39 H new ATOM 0 HB3 TYR A 182 -14.222 3.511 -4.863 1.00 0.39 H new ATOM 0 HD1 TYR A 182 -15.471 6.974 -4.948 1.00 1.19 H new ATOM 0 HD2 TYR A 182 -15.685 3.141 -6.799 1.00 1.43 H new ATOM 0 HE1 TYR A 182 -16.594 7.974 -6.890 1.00 1.21 H new ATOM 0 HE2 TYR A 182 -16.805 4.141 -8.742 1.00 1.56 H new ATOM 0 HH TYR A 182 -17.586 5.982 -9.682 1.00 0.98 H new ATOM 459 N ILE A 183 -16.269 1.636 -4.070 1.00 0.35 N ATOM 460 CA ILE A 183 -17.096 0.546 -4.573 1.00 0.43 C ATOM 461 C ILE A 183 -18.305 0.319 -3.669 1.00 0.45 C ATOM 462 O ILE A 183 -19.445 0.303 -4.132 1.00 0.55 O ATOM 463 CB ILE A 183 -16.303 -0.775 -4.677 1.00 0.48 C ATOM 464 CG1 ILE A 183 -14.871 -0.516 -5.155 1.00 0.54 C ATOM 465 CG2 ILE A 183 -17.007 -1.744 -5.613 1.00 0.56 C ATOM 466 CD1 ILE A 183 -14.782 0.416 -6.344 1.00 0.83 C ATOM 0 H ILE A 183 -15.325 1.361 -3.799 1.00 0.35 H new ATOM 0 HA ILE A 183 -17.427 0.840 -5.569 1.00 0.43 H new ATOM 0 HB ILE A 183 -16.255 -1.222 -3.684 1.00 0.48 H new ATOM 0 HG12 ILE A 183 -14.294 -0.095 -4.332 1.00 0.54 H new ATOM 0 HG13 ILE A 183 -14.407 -1.467 -5.416 1.00 0.54 H new ATOM 0 HG21 ILE A 183 -16.435 -2.670 -5.675 1.00 0.56 H new ATOM 0 HG22 ILE A 183 -18.005 -1.959 -5.231 1.00 0.56 H new ATOM 0 HG23 ILE A 183 -17.086 -1.299 -6.605 1.00 0.56 H new ATOM 0 HD11 ILE A 183 -13.737 0.550 -6.624 1.00 0.83 H new ATOM 0 HD12 ILE A 183 -15.330 -0.012 -7.183 1.00 0.83 H new ATOM 0 HD13 ILE A 183 -15.215 1.382 -6.083 1.00 0.83 H new ATOM 478 N GLY A 184 -18.041 0.145 -2.376 1.00 0.40 N ATOM 479 CA GLY A 184 -19.108 -0.087 -1.419 1.00 0.46 C ATOM 480 C GLY A 184 -20.071 1.081 -1.296 1.00 0.52 C ATOM 481 O GLY A 184 -21.283 0.908 -1.422 1.00 0.64 O ATOM 0 H GLY A 184 -17.104 0.161 -1.974 1.00 0.40 H new ATOM 0 HA2 GLY A 184 -19.664 -0.977 -1.714 1.00 0.46 H new ATOM 0 HA3 GLY A 184 -18.671 -0.293 -0.442 1.00 0.46 H new ATOM 485 N ARG A 185 -19.534 2.272 -1.050 1.00 0.48 N ATOM 486 CA ARG A 185 -20.361 3.465 -0.898 1.00 0.59 C ATOM 487 C ARG A 185 -21.311 3.631 -2.079 1.00 0.67 C ATOM 488 O ARG A 185 -22.376 4.235 -1.949 1.00 0.83 O ATOM 489 CB ARG A 185 -19.483 4.710 -0.744 1.00 0.59 C ATOM 490 CG ARG A 185 -18.569 4.970 -1.927 1.00 0.51 C ATOM 491 CD ARG A 185 -19.251 5.817 -2.989 1.00 0.85 C ATOM 492 NE ARG A 185 -19.730 7.088 -2.450 1.00 1.32 N ATOM 493 CZ ARG A 185 -20.449 7.960 -3.150 1.00 1.98 C ATOM 494 NH1 ARG A 185 -20.765 7.700 -4.411 1.00 2.27 N ATOM 495 NH2 ARG A 185 -20.854 9.092 -2.589 1.00 2.54 N ATOM 0 H ARG A 185 -18.532 2.437 -0.952 1.00 0.48 H new ATOM 0 HA ARG A 185 -20.960 3.344 0.004 1.00 0.59 H new ATOM 0 HB2 ARG A 185 -20.125 5.579 -0.596 1.00 0.59 H new ATOM 0 HB3 ARG A 185 -18.876 4.605 0.155 1.00 0.59 H new ATOM 0 HG2 ARG A 185 -17.665 5.474 -1.585 1.00 0.51 H new ATOM 0 HG3 ARG A 185 -18.259 4.020 -2.363 1.00 0.51 H new ATOM 0 HD2 ARG A 185 -18.553 6.009 -3.804 1.00 0.85 H new ATOM 0 HD3 ARG A 185 -20.089 5.263 -3.411 1.00 0.85 H new ATOM 0 HE ARG A 185 -19.500 7.319 -1.483 1.00 1.32 H new ATOM 0 HH11 ARG A 185 -20.456 6.830 -4.845 1.00 2.27 H new ATOM 0 HH12 ARG A 185 -21.317 8.370 -4.947 1.00 2.27 H new ATOM 0 HH21 ARG A 185 -20.614 9.295 -1.619 1.00 2.54 H new ATOM 0 HH22 ARG A 185 -21.406 9.760 -3.128 1.00 2.54 H new ATOM 509 N ARG A 186 -20.923 3.093 -3.229 1.00 0.63 N ATOM 510 CA ARG A 186 -21.748 3.182 -4.426 1.00 0.74 C ATOM 511 C ARG A 186 -23.027 2.361 -4.271 1.00 0.85 C ATOM 512 O ARG A 186 -24.020 2.608 -4.956 1.00 1.06 O ATOM 513 CB ARG A 186 -20.964 2.706 -5.653 1.00 0.80 C ATOM 514 CG ARG A 186 -19.887 3.680 -6.105 1.00 1.24 C ATOM 515 CD ARG A 186 -20.322 4.470 -7.332 1.00 1.58 C ATOM 516 NE ARG A 186 -21.461 5.341 -7.055 1.00 2.38 N ATOM 517 CZ ARG A 186 -21.818 6.354 -7.836 1.00 2.95 C ATOM 518 NH1 ARG A 186 -21.125 6.626 -8.934 1.00 2.93 N ATOM 519 NH2 ARG A 186 -22.868 7.099 -7.519 1.00 3.95 N ATOM 0 H ARG A 186 -20.044 2.592 -3.357 1.00 0.63 H new ATOM 0 HA ARG A 186 -22.025 4.227 -4.567 1.00 0.74 H new ATOM 0 HB2 ARG A 186 -20.501 1.745 -5.427 1.00 0.80 H new ATOM 0 HB3 ARG A 186 -21.659 2.539 -6.476 1.00 0.80 H new ATOM 0 HG2 ARG A 186 -19.654 4.368 -5.292 1.00 1.24 H new ATOM 0 HG3 ARG A 186 -18.972 3.132 -6.330 1.00 1.24 H new ATOM 0 HD2 ARG A 186 -19.486 5.071 -7.689 1.00 1.58 H new ATOM 0 HD3 ARG A 186 -20.583 3.778 -8.133 1.00 1.58 H new ATOM 0 HE ARG A 186 -22.012 5.161 -6.216 1.00 2.38 H new ATOM 0 HH11 ARG A 186 -20.316 6.056 -9.180 1.00 2.93 H new ATOM 0 HH12 ARG A 186 -21.402 7.405 -9.532 1.00 2.93 H new ATOM 0 HH21 ARG A 186 -23.402 6.894 -6.675 1.00 3.95 H new ATOM 0 HH22 ARG A 186 -23.141 7.877 -8.120 1.00 3.95 H new ATOM 775 N PRO B 167 7.395 -8.214 -1.971 1.00 0.73 N ATOM 776 CA PRO B 167 6.059 -8.821 -2.021 1.00 0.63 C ATOM 777 C PRO B 167 5.063 -8.099 -1.121 1.00 0.56 C ATOM 778 O PRO B 167 3.904 -7.908 -1.490 1.00 0.69 O ATOM 779 CB PRO B 167 6.285 -10.256 -1.523 1.00 0.87 C ATOM 780 CG PRO B 167 7.756 -10.477 -1.614 1.00 1.07 C ATOM 781 CD PRO B 167 8.386 -9.134 -1.392 1.00 0.96 C ATOM 0 HA PRO B 167 5.633 -8.771 -3.023 1.00 0.63 H new ATOM 0 HB2 PRO B 167 5.932 -10.377 -0.499 1.00 0.87 H new ATOM 0 HB3 PRO B 167 5.741 -10.975 -2.135 1.00 0.87 H new ATOM 0 HG2 PRO B 167 8.091 -11.194 -0.865 1.00 1.07 H new ATOM 0 HG3 PRO B 167 8.031 -10.882 -2.588 1.00 1.07 H new ATOM 0 HD2 PRO B 167 8.554 -8.935 -0.333 1.00 0.96 H new ATOM 0 HD3 PRO B 167 9.353 -9.053 -1.889 1.00 0.96 H new ATOM 789 N SER B 168 5.522 -7.699 0.061 1.00 0.55 N ATOM 790 CA SER B 168 4.668 -6.997 1.015 1.00 0.55 C ATOM 791 C SER B 168 3.940 -5.837 0.345 1.00 0.44 C ATOM 792 O SER B 168 2.741 -5.645 0.544 1.00 0.41 O ATOM 793 CB SER B 168 5.500 -6.481 2.189 1.00 0.72 C ATOM 794 OG SER B 168 6.119 -7.548 2.886 1.00 1.59 O ATOM 0 H SER B 168 6.479 -7.848 0.381 1.00 0.55 H new ATOM 0 HA SER B 168 3.924 -7.702 1.386 1.00 0.55 H new ATOM 0 HB2 SER B 168 6.261 -5.792 1.824 1.00 0.72 H new ATOM 0 HB3 SER B 168 4.862 -5.919 2.871 1.00 0.72 H new ATOM 0 HG SER B 168 6.646 -7.190 3.631 1.00 1.59 H new ATOM 800 N LEU B 169 4.673 -5.067 -0.451 1.00 0.46 N ATOM 801 CA LEU B 169 4.097 -3.925 -1.151 1.00 0.45 C ATOM 802 C LEU B 169 2.860 -4.344 -1.938 1.00 0.33 C ATOM 803 O LEU B 169 1.805 -3.714 -1.840 1.00 0.31 O ATOM 804 CB LEU B 169 5.132 -3.303 -2.090 1.00 0.60 C ATOM 805 CG LEU B 169 6.479 -2.984 -1.441 1.00 0.77 C ATOM 806 CD1 LEU B 169 7.363 -2.204 -2.402 1.00 1.09 C ATOM 807 CD2 LEU B 169 6.276 -2.210 -0.149 1.00 0.77 C ATOM 0 H LEU B 169 5.667 -5.213 -0.628 1.00 0.46 H new ATOM 0 HA LEU B 169 3.800 -3.183 -0.410 1.00 0.45 H new ATOM 0 HB2 LEU B 169 5.299 -3.983 -2.925 1.00 0.60 H new ATOM 0 HB3 LEU B 169 4.719 -2.384 -2.506 1.00 0.60 H new ATOM 0 HG LEU B 169 6.979 -3.923 -1.203 1.00 0.77 H new ATOM 0 HD11 LEU B 169 8.317 -1.986 -1.923 1.00 1.09 H new ATOM 0 HD12 LEU B 169 7.535 -2.797 -3.301 1.00 1.09 H new ATOM 0 HD13 LEU B 169 6.871 -1.270 -2.672 1.00 1.09 H new ATOM 0 HD21 LEU B 169 7.245 -1.991 0.300 1.00 0.77 H new ATOM 0 HD22 LEU B 169 5.756 -1.276 -0.362 1.00 0.77 H new ATOM 0 HD23 LEU B 169 5.682 -2.807 0.543 1.00 0.77 H new ATOM 819 N LEU B 170 2.994 -5.414 -2.714 1.00 0.34 N ATOM 820 CA LEU B 170 1.884 -5.918 -3.513 1.00 0.36 C ATOM 821 C LEU B 170 0.714 -6.303 -2.616 1.00 0.28 C ATOM 822 O LEU B 170 -0.439 -5.984 -2.910 1.00 0.32 O ATOM 823 CB LEU B 170 2.324 -7.123 -4.350 1.00 0.47 C ATOM 824 CG LEU B 170 3.241 -6.800 -5.533 1.00 0.59 C ATOM 825 CD1 LEU B 170 4.548 -6.187 -5.055 1.00 0.60 C ATOM 826 CD2 LEU B 170 3.507 -8.052 -6.356 1.00 0.72 C ATOM 0 H LEU B 170 3.858 -5.948 -2.806 1.00 0.34 H new ATOM 0 HA LEU B 170 1.563 -5.125 -4.188 1.00 0.36 H new ATOM 0 HB2 LEU B 170 2.836 -7.830 -3.697 1.00 0.47 H new ATOM 0 HB3 LEU B 170 1.434 -7.626 -4.728 1.00 0.47 H new ATOM 0 HG LEU B 170 2.737 -6.070 -6.166 1.00 0.59 H new ATOM 0 HD11 LEU B 170 5.182 -5.967 -5.914 1.00 0.60 H new ATOM 0 HD12 LEU B 170 4.340 -5.265 -4.511 1.00 0.60 H new ATOM 0 HD13 LEU B 170 5.060 -6.889 -4.397 1.00 0.60 H new ATOM 0 HD21 LEU B 170 4.160 -7.805 -7.193 1.00 0.72 H new ATOM 0 HD22 LEU B 170 3.988 -8.804 -5.730 1.00 0.72 H new ATOM 0 HD23 LEU B 170 2.564 -8.445 -6.736 1.00 0.72 H new ATOM 838 N LEU B 171 1.018 -6.992 -1.521 1.00 0.24 N ATOM 839 CA LEU B 171 -0.007 -7.414 -0.576 1.00 0.26 C ATOM 840 C LEU B 171 -0.707 -6.204 0.032 1.00 0.23 C ATOM 841 O LEU B 171 -1.928 -6.196 0.192 1.00 0.29 O ATOM 842 CB LEU B 171 0.607 -8.273 0.532 1.00 0.32 C ATOM 843 CG LEU B 171 1.265 -9.570 0.059 1.00 0.38 C ATOM 844 CD1 LEU B 171 1.900 -10.302 1.231 1.00 0.47 C ATOM 845 CD2 LEU B 171 0.249 -10.460 -0.639 1.00 0.50 C ATOM 0 H LEU B 171 1.966 -7.270 -1.267 1.00 0.24 H new ATOM 0 HA LEU B 171 -0.743 -8.009 -1.116 1.00 0.26 H new ATOM 0 HB2 LEU B 171 1.352 -7.678 1.061 1.00 0.32 H new ATOM 0 HB3 LEU B 171 -0.173 -8.521 1.252 1.00 0.32 H new ATOM 0 HG LEU B 171 2.049 -9.318 -0.656 1.00 0.38 H new ATOM 0 HD11 LEU B 171 2.364 -11.223 0.877 1.00 0.47 H new ATOM 0 HD12 LEU B 171 2.658 -9.667 1.689 1.00 0.47 H new ATOM 0 HD13 LEU B 171 1.134 -10.542 1.968 1.00 0.47 H new ATOM 0 HD21 LEU B 171 0.735 -11.378 -0.969 1.00 0.50 H new ATOM 0 HD22 LEU B 171 -0.557 -10.704 0.053 1.00 0.50 H new ATOM 0 HD23 LEU B 171 -0.161 -9.936 -1.503 1.00 0.50 H new ATOM 857 N SER B 172 0.074 -5.182 0.369 1.00 0.18 N ATOM 858 CA SER B 172 -0.475 -3.966 0.954 1.00 0.19 C ATOM 859 C SER B 172 -1.578 -3.395 0.070 1.00 0.14 C ATOM 860 O SER B 172 -2.669 -3.085 0.545 1.00 0.18 O ATOM 861 CB SER B 172 0.627 -2.923 1.152 1.00 0.23 C ATOM 862 OG SER B 172 1.564 -3.348 2.128 1.00 0.31 O ATOM 0 H SER B 172 1.087 -5.173 0.247 1.00 0.18 H new ATOM 0 HA SER B 172 -0.901 -4.218 1.925 1.00 0.19 H new ATOM 0 HB2 SER B 172 1.138 -2.746 0.206 1.00 0.23 H new ATOM 0 HB3 SER B 172 0.184 -1.975 1.457 1.00 0.23 H new ATOM 0 HG SER B 172 2.065 -4.119 1.787 1.00 0.31 H new ATOM 868 N HIS B 173 -1.285 -3.259 -1.220 1.00 0.12 N ATOM 869 CA HIS B 173 -2.258 -2.733 -2.170 1.00 0.15 C ATOM 870 C HIS B 173 -3.501 -3.616 -2.213 1.00 0.20 C ATOM 871 O HIS B 173 -4.622 -3.134 -2.065 1.00 0.25 O ATOM 872 CB HIS B 173 -1.639 -2.639 -3.566 1.00 0.19 C ATOM 873 CG HIS B 173 -0.451 -1.732 -3.633 1.00 0.21 C ATOM 874 ND1 HIS B 173 0.849 -2.194 -3.621 1.00 0.26 N ATOM 875 CD2 HIS B 173 -0.368 -0.384 -3.713 1.00 0.25 C ATOM 876 CE1 HIS B 173 1.679 -1.168 -3.690 1.00 0.30 C ATOM 877 NE2 HIS B 173 0.965 -0.059 -3.749 1.00 0.28 N ATOM 0 H HIS B 173 -0.384 -3.505 -1.630 1.00 0.12 H new ATOM 0 HA HIS B 173 -2.550 -1.735 -1.842 1.00 0.15 H new ATOM 0 HB2 HIS B 173 -1.343 -3.636 -3.891 1.00 0.19 H new ATOM 0 HB3 HIS B 173 -2.395 -2.286 -4.267 1.00 0.19 H new ATOM 0 HD1 HIS B 173 1.126 -3.174 -3.567 1.00 0.26 H new ATOM 0 HD2 HIS B 173 -1.197 0.308 -3.743 1.00 0.25 H new ATOM 0 HE1 HIS B 173 2.757 -1.227 -3.697 1.00 0.30 H new ATOM 0 HE2 HIS B 173 1.343 0.886 -3.811 1.00 0.28 H new ATOM 886 N LEU B 174 -3.292 -4.914 -2.413 1.00 0.21 N ATOM 887 CA LEU B 174 -4.396 -5.865 -2.475 1.00 0.28 C ATOM 888 C LEU B 174 -5.199 -5.855 -1.179 1.00 0.28 C ATOM 889 O LEU B 174 -6.420 -5.708 -1.195 1.00 0.31 O ATOM 890 CB LEU B 174 -3.868 -7.275 -2.748 1.00 0.32 C ATOM 891 CG LEU B 174 -3.150 -7.447 -4.086 1.00 0.34 C ATOM 892 CD1 LEU B 174 -2.683 -8.884 -4.258 1.00 0.40 C ATOM 893 CD2 LEU B 174 -4.061 -7.038 -5.233 1.00 0.44 C ATOM 0 H LEU B 174 -2.369 -5.331 -2.535 1.00 0.21 H new ATOM 0 HA LEU B 174 -5.053 -5.565 -3.291 1.00 0.28 H new ATOM 0 HB2 LEU B 174 -3.183 -7.552 -1.947 1.00 0.32 H new ATOM 0 HB3 LEU B 174 -4.704 -7.974 -2.709 1.00 0.32 H new ATOM 0 HG LEU B 174 -2.274 -6.799 -4.095 1.00 0.34 H new ATOM 0 HD11 LEU B 174 -2.174 -8.989 -5.216 1.00 0.40 H new ATOM 0 HD12 LEU B 174 -1.996 -9.142 -3.452 1.00 0.40 H new ATOM 0 HD13 LEU B 174 -3.544 -9.552 -4.230 1.00 0.40 H new ATOM 0 HD21 LEU B 174 -3.535 -7.166 -6.179 1.00 0.44 H new ATOM 0 HD22 LEU B 174 -4.955 -7.661 -5.228 1.00 0.44 H new ATOM 0 HD23 LEU B 174 -4.347 -5.993 -5.116 1.00 0.44 H new ATOM 905 N LEU B 175 -4.505 -6.015 -0.058 1.00 0.27 N ATOM 906 CA LEU B 175 -5.153 -6.019 1.246 1.00 0.30 C ATOM 907 C LEU B 175 -5.822 -4.678 1.526 1.00 0.27 C ATOM 908 O LEU B 175 -6.952 -4.626 2.011 1.00 0.28 O ATOM 909 CB LEU B 175 -4.140 -6.337 2.347 1.00 0.33 C ATOM 910 CG LEU B 175 -3.513 -7.729 2.268 1.00 0.38 C ATOM 911 CD1 LEU B 175 -2.576 -7.958 3.444 1.00 0.43 C ATOM 912 CD2 LEU B 175 -4.595 -8.797 2.228 1.00 0.46 C ATOM 0 H LEU B 175 -3.494 -6.144 -0.027 1.00 0.27 H new ATOM 0 HA LEU B 175 -5.920 -6.793 1.237 1.00 0.30 H new ATOM 0 HB2 LEU B 175 -3.343 -5.594 2.312 1.00 0.33 H new ATOM 0 HB3 LEU B 175 -4.632 -6.231 3.314 1.00 0.33 H new ATOM 0 HG LEU B 175 -2.931 -7.795 1.349 1.00 0.38 H new ATOM 0 HD11 LEU B 175 -2.138 -8.954 3.372 1.00 0.43 H new ATOM 0 HD12 LEU B 175 -1.783 -7.211 3.428 1.00 0.43 H new ATOM 0 HD13 LEU B 175 -3.135 -7.874 4.376 1.00 0.43 H new ATOM 0 HD21 LEU B 175 -4.132 -9.782 2.172 1.00 0.46 H new ATOM 0 HD22 LEU B 175 -5.203 -8.733 3.130 1.00 0.46 H new ATOM 0 HD23 LEU B 175 -5.227 -8.643 1.353 1.00 0.46 H new ATOM 924 N ALA B 176 -5.118 -3.594 1.217 1.00 0.25 N ATOM 925 CA ALA B 176 -5.646 -2.254 1.437 1.00 0.23 C ATOM 926 C ALA B 176 -7.013 -2.091 0.779 1.00 0.20 C ATOM 927 O ALA B 176 -7.985 -1.700 1.429 1.00 0.20 O ATOM 928 CB ALA B 176 -4.674 -1.213 0.907 1.00 0.24 C ATOM 0 H ALA B 176 -4.181 -3.618 0.814 1.00 0.25 H new ATOM 0 HA ALA B 176 -5.768 -2.107 2.510 1.00 0.23 H new ATOM 0 HB1 ALA B 176 -5.080 -0.216 1.077 1.00 0.24 H new ATOM 0 HB2 ALA B 176 -3.720 -1.309 1.425 1.00 0.24 H new ATOM 0 HB3 ALA B 176 -4.524 -1.366 -0.162 1.00 0.24 H new ATOM 934 N ILE B 177 -7.084 -2.400 -0.512 1.00 0.20 N ATOM 935 CA ILE B 177 -8.337 -2.293 -1.247 1.00 0.20 C ATOM 936 C ILE B 177 -9.376 -3.246 -0.668 1.00 0.20 C ATOM 937 O ILE B 177 -10.532 -2.873 -0.466 1.00 0.20 O ATOM 938 CB ILE B 177 -8.150 -2.593 -2.747 1.00 0.24 C ATOM 939 CG1 ILE B 177 -7.115 -1.646 -3.353 1.00 0.25 C ATOM 940 CG2 ILE B 177 -9.477 -2.467 -3.481 1.00 0.26 C ATOM 941 CD1 ILE B 177 -6.952 -1.811 -4.848 1.00 0.31 C ATOM 0 H ILE B 177 -6.292 -2.725 -1.067 1.00 0.20 H new ATOM 0 HA ILE B 177 -8.682 -1.264 -1.145 1.00 0.20 H new ATOM 0 HB ILE B 177 -7.790 -3.616 -2.855 1.00 0.24 H new ATOM 0 HG12 ILE B 177 -7.405 -0.617 -3.138 1.00 0.25 H new ATOM 0 HG13 ILE B 177 -6.153 -1.814 -2.869 1.00 0.25 H new ATOM 0 HG21 ILE B 177 -9.329 -2.682 -4.539 1.00 0.26 H new ATOM 0 HG22 ILE B 177 -10.192 -3.175 -3.063 1.00 0.26 H new ATOM 0 HG23 ILE B 177 -9.861 -1.453 -3.367 1.00 0.26 H new ATOM 0 HD11 ILE B 177 -6.202 -1.108 -5.212 1.00 0.31 H new ATOM 0 HD12 ILE B 177 -6.632 -2.829 -5.069 1.00 0.31 H new ATOM 0 HD13 ILE B 177 -7.904 -1.614 -5.342 1.00 0.31 H new ATOM 953 N GLY B 178 -8.956 -4.479 -0.400 1.00 0.23 N ATOM 954 CA GLY B 178 -9.860 -5.462 0.164 1.00 0.26 C ATOM 955 C GLY B 178 -10.547 -4.947 1.413 1.00 0.24 C ATOM 956 O GLY B 178 -11.772 -5.009 1.529 1.00 0.26 O ATOM 0 H GLY B 178 -8.006 -4.813 -0.564 1.00 0.23 H new ATOM 0 HA2 GLY B 178 -10.611 -5.732 -0.578 1.00 0.26 H new ATOM 0 HA3 GLY B 178 -9.306 -6.370 0.402 1.00 0.26 H new ATOM 960 N LEU B 179 -9.753 -4.437 2.349 1.00 0.25 N ATOM 961 CA LEU B 179 -10.293 -3.898 3.591 1.00 0.28 C ATOM 962 C LEU B 179 -11.336 -2.829 3.288 1.00 0.25 C ATOM 963 O LEU B 179 -12.396 -2.785 3.914 1.00 0.29 O ATOM 964 CB LEU B 179 -9.172 -3.310 4.451 1.00 0.33 C ATOM 965 CG LEU B 179 -8.127 -4.318 4.932 1.00 0.39 C ATOM 966 CD1 LEU B 179 -7.018 -3.611 5.697 1.00 0.47 C ATOM 967 CD2 LEU B 179 -8.776 -5.386 5.797 1.00 0.43 C ATOM 0 H LEU B 179 -8.737 -4.386 2.271 1.00 0.25 H new ATOM 0 HA LEU B 179 -10.767 -4.709 4.145 1.00 0.28 H new ATOM 0 HB2 LEU B 179 -8.667 -2.531 3.879 1.00 0.33 H new ATOM 0 HB3 LEU B 179 -9.617 -2.828 5.322 1.00 0.33 H new ATOM 0 HG LEU B 179 -7.688 -4.803 4.060 1.00 0.39 H new ATOM 0 HD11 LEU B 179 -6.283 -4.343 6.032 1.00 0.47 H new ATOM 0 HD12 LEU B 179 -6.534 -2.883 5.046 1.00 0.47 H new ATOM 0 HD13 LEU B 179 -7.441 -3.100 6.562 1.00 0.47 H new ATOM 0 HD21 LEU B 179 -8.018 -6.095 6.130 1.00 0.43 H new ATOM 0 HD22 LEU B 179 -9.242 -4.918 6.664 1.00 0.43 H new ATOM 0 HD23 LEU B 179 -9.535 -5.912 5.217 1.00 0.43 H new ATOM 979 N GLY B 180 -11.028 -1.970 2.321 1.00 0.22 N ATOM 980 CA GLY B 180 -11.954 -0.919 1.942 1.00 0.23 C ATOM 981 C GLY B 180 -13.301 -1.472 1.522 1.00 0.22 C ATOM 982 O GLY B 180 -14.345 -0.935 1.894 1.00 0.27 O ATOM 0 H GLY B 180 -10.155 -1.983 1.794 1.00 0.22 H new ATOM 0 HA2 GLY B 180 -12.088 -0.235 2.780 1.00 0.23 H new ATOM 0 HA3 GLY B 180 -11.529 -0.340 1.123 1.00 0.23 H new ATOM 986 N ILE B 181 -13.278 -2.551 0.744 1.00 0.21 N ATOM 987 CA ILE B 181 -14.506 -3.185 0.278 1.00 0.27 C ATOM 988 C ILE B 181 -15.370 -3.612 1.458 1.00 0.29 C ATOM 989 O ILE B 181 -16.551 -3.271 1.529 1.00 0.35 O ATOM 990 CB ILE B 181 -14.202 -4.417 -0.605 1.00 0.34 C ATOM 991 CG1 ILE B 181 -13.425 -3.997 -1.853 1.00 0.38 C ATOM 992 CG2 ILE B 181 -15.490 -5.134 -0.997 1.00 0.44 C ATOM 993 CD1 ILE B 181 -14.209 -3.090 -2.777 1.00 0.93 C ATOM 0 H ILE B 181 -12.422 -3.004 0.424 1.00 0.21 H new ATOM 0 HA ILE B 181 -15.045 -2.450 -0.320 1.00 0.27 H new ATOM 0 HB ILE B 181 -13.589 -5.109 -0.027 1.00 0.34 H new ATOM 0 HG12 ILE B 181 -12.511 -3.488 -1.548 1.00 0.38 H new ATOM 0 HG13 ILE B 181 -13.125 -4.890 -2.402 1.00 0.38 H new ATOM 0 HG21 ILE B 181 -15.251 -5.997 -1.618 1.00 0.44 H new ATOM 0 HG22 ILE B 181 -16.010 -5.466 -0.098 1.00 0.44 H new ATOM 0 HG23 ILE B 181 -16.131 -4.452 -1.555 1.00 0.44 H new ATOM 0 HD11 ILE B 181 -13.596 -2.832 -3.641 1.00 0.93 H new ATOM 0 HD12 ILE B 181 -15.110 -3.603 -3.112 1.00 0.93 H new ATOM 0 HD13 ILE B 181 -14.486 -2.180 -2.245 1.00 0.93 H new ATOM 1005 N TYR B 182 -14.772 -4.353 2.385 1.00 0.31 N ATOM 1006 CA TYR B 182 -15.490 -4.825 3.563 1.00 0.40 C ATOM 1007 C TYR B 182 -16.192 -3.667 4.262 1.00 0.44 C ATOM 1008 O TYR B 182 -17.393 -3.723 4.526 1.00 0.52 O ATOM 1009 CB TYR B 182 -14.524 -5.511 4.532 1.00 0.44 C ATOM 1010 CG TYR B 182 -15.188 -6.021 5.791 1.00 0.56 C ATOM 1011 CD1 TYR B 182 -15.385 -5.184 6.883 1.00 1.42 C ATOM 1012 CD2 TYR B 182 -15.616 -7.339 5.889 1.00 1.25 C ATOM 1013 CE1 TYR B 182 -15.990 -5.647 8.035 1.00 1.52 C ATOM 1014 CE2 TYR B 182 -16.223 -7.808 7.037 1.00 1.30 C ATOM 1015 CZ TYR B 182 -16.407 -6.959 8.108 1.00 0.84 C ATOM 1016 OH TYR B 182 -17.010 -7.423 9.254 1.00 0.99 O ATOM 0 H TYR B 182 -13.794 -4.639 2.343 1.00 0.31 H new ATOM 0 HA TYR B 182 -16.242 -5.546 3.241 1.00 0.40 H new ATOM 0 HB2 TYR B 182 -14.043 -6.345 4.022 1.00 0.44 H new ATOM 0 HB3 TYR B 182 -13.737 -4.808 4.806 1.00 0.44 H new ATOM 0 HD1 TYR B 182 -15.060 -4.155 6.830 1.00 1.42 H new ATOM 0 HD2 TYR B 182 -15.472 -8.008 5.053 1.00 1.25 H new ATOM 0 HE1 TYR B 182 -16.136 -4.984 8.875 1.00 1.52 H new ATOM 0 HE2 TYR B 182 -16.552 -8.835 7.096 1.00 1.30 H new ATOM 0 HH TYR B 182 -17.244 -8.368 9.141 1.00 0.99 H new ATOM 1026 N ILE B 183 -15.432 -2.619 4.556 1.00 0.44 N ATOM 1027 CA ILE B 183 -15.978 -1.440 5.215 1.00 0.55 C ATOM 1028 C ILE B 183 -17.034 -0.768 4.342 1.00 0.56 C ATOM 1029 O ILE B 183 -18.104 -0.393 4.820 1.00 0.67 O ATOM 1030 CB ILE B 183 -14.872 -0.418 5.542 1.00 0.60 C ATOM 1031 CG1 ILE B 183 -13.789 -1.065 6.406 1.00 0.63 C ATOM 1032 CG2 ILE B 183 -15.462 0.796 6.243 1.00 0.74 C ATOM 1033 CD1 ILE B 183 -12.632 -0.141 6.717 1.00 1.10 C ATOM 0 H ILE B 183 -14.435 -2.562 4.348 1.00 0.44 H new ATOM 0 HA ILE B 183 -16.436 -1.777 6.145 1.00 0.55 H new ATOM 0 HB ILE B 183 -14.416 -0.087 4.609 1.00 0.60 H new ATOM 0 HG12 ILE B 183 -14.235 -1.403 7.341 1.00 0.63 H new ATOM 0 HG13 ILE B 183 -13.409 -1.950 5.896 1.00 0.63 H new ATOM 0 HG21 ILE B 183 -14.668 1.508 6.467 1.00 0.74 H new ATOM 0 HG22 ILE B 183 -16.200 1.268 5.594 1.00 0.74 H new ATOM 0 HG23 ILE B 183 -15.941 0.483 7.171 1.00 0.74 H new ATOM 0 HD11 ILE B 183 -11.902 -0.666 7.333 1.00 1.10 H new ATOM 0 HD12 ILE B 183 -12.160 0.177 5.787 1.00 1.10 H new ATOM 0 HD13 ILE B 183 -12.999 0.733 7.255 1.00 1.10 H new ATOM 1045 N GLY B 184 -16.721 -0.621 3.057 1.00 0.49 N ATOM 1046 CA GLY B 184 -17.643 0.011 2.131 1.00 0.55 C ATOM 1047 C GLY B 184 -18.951 -0.744 1.989 1.00 0.61 C ATOM 1048 O GLY B 184 -20.027 -0.165 2.139 1.00 0.72 O ATOM 0 H GLY B 184 -15.843 -0.930 2.641 1.00 0.49 H new ATOM 0 HA2 GLY B 184 -17.851 1.026 2.470 1.00 0.55 H new ATOM 0 HA3 GLY B 184 -17.169 0.092 1.153 1.00 0.55 H new ATOM 1052 N ARG B 185 -18.863 -2.040 1.700 1.00 0.58 N ATOM 1053 CA ARG B 185 -20.056 -2.863 1.534 1.00 0.70 C ATOM 1054 C ARG B 185 -20.974 -2.740 2.746 1.00 0.81 C ATOM 1055 O ARG B 185 -22.189 -2.909 2.637 1.00 0.96 O ATOM 1056 CB ARG B 185 -19.674 -4.329 1.317 1.00 0.71 C ATOM 1057 CG ARG B 185 -18.928 -4.945 2.486 1.00 0.66 C ATOM 1058 CD ARG B 185 -19.224 -6.430 2.615 1.00 0.80 C ATOM 1059 NE ARG B 185 -18.924 -7.163 1.388 1.00 1.20 N ATOM 1060 CZ ARG B 185 -19.179 -8.458 1.225 1.00 1.57 C ATOM 1061 NH1 ARG B 185 -19.739 -9.154 2.204 1.00 1.68 N ATOM 1062 NH2 ARG B 185 -18.877 -9.058 0.081 1.00 2.16 N ATOM 0 H ARG B 185 -17.983 -2.540 1.577 1.00 0.58 H new ATOM 0 HA ARG B 185 -20.590 -2.504 0.654 1.00 0.70 H new ATOM 0 HB2 ARG B 185 -20.579 -4.907 1.130 1.00 0.71 H new ATOM 0 HB3 ARG B 185 -19.056 -4.406 0.422 1.00 0.71 H new ATOM 0 HG2 ARG B 185 -17.856 -4.797 2.354 1.00 0.66 H new ATOM 0 HG3 ARG B 185 -19.209 -4.435 3.408 1.00 0.66 H new ATOM 0 HD2 ARG B 185 -18.639 -6.845 3.436 1.00 0.80 H new ATOM 0 HD3 ARG B 185 -20.275 -6.568 2.871 1.00 0.80 H new ATOM 0 HE ARG B 185 -18.496 -6.654 0.614 1.00 1.20 H new ATOM 0 HH11 ARG B 185 -19.975 -8.697 3.085 1.00 1.68 H new ATOM 0 HH12 ARG B 185 -19.934 -10.147 2.077 1.00 1.68 H new ATOM 0 HH21 ARG B 185 -18.448 -8.526 -0.676 1.00 2.16 H new ATOM 0 HH22 ARG B 185 -19.074 -10.051 -0.041 1.00 2.16 H new