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 173 HIS : +bothHN:sc= -1.16! C(o=0.21!,f=-7.3!) USER MOD Set 1.2: B 172 SER OG : rot 59:sc= 1.38 USER MOD Set 2.1: A 172 SER OG : rot 79:sc= 0.709 USER MOD Set 2.2: B 173 HIS : no HE2:sc= -1.77! C(o=-1.1!,f=-7.2!) 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 6.227 8.339 1.666 1.00 0.73 N ATOM 209 CA PRO A 167 4.928 8.803 1.161 1.00 0.67 C ATOM 210 C PRO A 167 4.311 7.829 0.161 1.00 0.55 C ATOM 211 O PRO A 167 3.098 7.623 0.150 1.00 0.58 O ATOM 212 CB PRO A 167 5.263 10.129 0.477 1.00 0.86 C ATOM 213 CG PRO A 167 6.693 9.996 0.089 1.00 0.98 C ATOM 214 CD PRO A 167 7.337 9.182 1.176 1.00 0.91 C ATOM 0 HA PRO A 167 4.192 8.895 1.960 1.00 0.67 H new ATOM 0 HB2 PRO A 167 4.629 10.298 -0.394 1.00 0.86 H new ATOM 0 HB3 PRO A 167 5.111 10.973 1.150 1.00 0.86 H new ATOM 0 HG2 PRO A 167 6.792 9.504 -0.879 1.00 0.98 H new ATOM 0 HG3 PRO A 167 7.167 10.974 -0.001 1.00 0.98 H new ATOM 0 HD2 PRO A 167 8.162 8.580 0.794 1.00 0.91 H new ATOM 0 HD3 PRO A 167 7.743 9.814 1.966 1.00 0.91 H new ATOM 222 N SER A 168 5.154 7.236 -0.680 1.00 0.55 N ATOM 223 CA SER A 168 4.686 6.285 -1.683 1.00 0.52 C ATOM 224 C SER A 168 3.810 5.212 -1.046 1.00 0.39 C ATOM 225 O SER A 168 2.700 4.945 -1.510 1.00 0.33 O ATOM 226 CB SER A 168 5.874 5.632 -2.392 1.00 0.66 C ATOM 227 OG SER A 168 6.657 6.600 -3.071 1.00 1.47 O ATOM 0 H SER A 168 6.161 7.397 -0.687 1.00 0.55 H new ATOM 0 HA SER A 168 4.090 6.831 -2.414 1.00 0.52 H new ATOM 0 HB2 SER A 168 6.491 5.105 -1.664 1.00 0.66 H new ATOM 0 HB3 SER A 168 5.514 4.888 -3.102 1.00 0.66 H new ATOM 0 HG SER A 168 7.411 6.158 -3.515 1.00 1.47 H new ATOM 233 N LEU A 169 4.314 4.602 0.020 1.00 0.40 N ATOM 234 CA LEU A 169 3.579 3.558 0.723 1.00 0.36 C ATOM 235 C LEU A 169 2.273 4.099 1.294 1.00 0.28 C ATOM 236 O LEU A 169 1.203 3.532 1.068 1.00 0.26 O ATOM 237 CB LEU A 169 4.437 2.969 1.845 1.00 0.47 C ATOM 238 CG LEU A 169 5.714 2.266 1.384 1.00 0.59 C ATOM 239 CD1 LEU A 169 6.473 1.700 2.575 1.00 0.73 C ATOM 240 CD2 LEU A 169 5.382 1.168 0.386 1.00 0.62 C ATOM 0 H LEU A 169 5.230 4.813 0.417 1.00 0.40 H new ATOM 0 HA LEU A 169 3.340 2.772 0.007 1.00 0.36 H new ATOM 0 HB2 LEU A 169 4.710 3.770 2.532 1.00 0.47 H new ATOM 0 HB3 LEU A 169 3.833 2.258 2.409 1.00 0.47 H new ATOM 0 HG LEU A 169 6.354 2.998 0.890 1.00 0.59 H new ATOM 0 HD11 LEU A 169 7.379 1.204 2.227 1.00 0.73 H new ATOM 0 HD12 LEU A 169 6.741 2.510 3.254 1.00 0.73 H new ATOM 0 HD13 LEU A 169 5.844 0.981 3.099 1.00 0.73 H new ATOM 0 HD21 LEU A 169 6.301 0.676 0.067 1.00 0.62 H new ATOM 0 HD22 LEU A 169 4.724 0.437 0.855 1.00 0.62 H new ATOM 0 HD23 LEU A 169 4.883 1.602 -0.480 1.00 0.62 H new ATOM 252 N LEU A 170 2.366 5.198 2.037 1.00 0.31 N ATOM 253 CA LEU A 170 1.190 5.812 2.642 1.00 0.33 C ATOM 254 C LEU A 170 0.110 6.070 1.597 1.00 0.26 C ATOM 255 O LEU A 170 -1.045 5.681 1.774 1.00 0.27 O ATOM 256 CB LEU A 170 1.569 7.120 3.338 1.00 0.42 C ATOM 257 CG LEU A 170 2.505 6.969 4.537 1.00 0.52 C ATOM 258 CD1 LEU A 170 2.811 8.326 5.151 1.00 0.63 C ATOM 259 CD2 LEU A 170 1.894 6.038 5.575 1.00 0.60 C ATOM 0 H LEU A 170 3.243 5.681 2.234 1.00 0.31 H new ATOM 0 HA LEU A 170 0.792 5.119 3.383 1.00 0.33 H new ATOM 0 HB2 LEU A 170 2.041 7.778 2.609 1.00 0.42 H new ATOM 0 HB3 LEU A 170 0.656 7.615 3.669 1.00 0.42 H new ATOM 0 HG LEU A 170 3.441 6.532 4.190 1.00 0.52 H new ATOM 0 HD11 LEU A 170 3.479 8.198 6.003 1.00 0.63 H new ATOM 0 HD12 LEU A 170 3.290 8.962 4.407 1.00 0.63 H new ATOM 0 HD13 LEU A 170 1.884 8.792 5.484 1.00 0.63 H new ATOM 0 HD21 LEU A 170 2.573 5.942 6.422 1.00 0.60 H new ATOM 0 HD22 LEU A 170 0.944 6.448 5.917 1.00 0.60 H new ATOM 0 HD23 LEU A 170 1.727 5.057 5.130 1.00 0.60 H new ATOM 271 N LEU A 171 0.490 6.728 0.506 1.00 0.23 N ATOM 272 CA LEU A 171 -0.451 7.036 -0.564 1.00 0.22 C ATOM 273 C LEU A 171 -1.081 5.764 -1.121 1.00 0.18 C ATOM 274 O LEU A 171 -2.284 5.717 -1.375 1.00 0.21 O ATOM 275 CB LEU A 171 0.248 7.809 -1.685 1.00 0.26 C ATOM 276 CG LEU A 171 0.770 9.192 -1.291 1.00 0.33 C ATOM 277 CD1 LEU A 171 1.408 9.883 -2.486 1.00 0.39 C ATOM 278 CD2 LEU A 171 -0.356 10.042 -0.720 1.00 0.40 C ATOM 0 H LEU A 171 1.441 7.057 0.340 1.00 0.23 H new ATOM 0 HA LEU A 171 -1.243 7.657 -0.146 1.00 0.22 H new ATOM 0 HB2 LEU A 171 1.084 7.213 -2.050 1.00 0.26 H new ATOM 0 HB3 LEU A 171 -0.449 7.924 -2.516 1.00 0.26 H new ATOM 0 HG LEU A 171 1.532 9.067 -0.522 1.00 0.33 H new ATOM 0 HD11 LEU A 171 1.773 10.865 -2.186 1.00 0.39 H new ATOM 0 HD12 LEU A 171 2.241 9.282 -2.852 1.00 0.39 H new ATOM 0 HD13 LEU A 171 0.668 9.997 -3.278 1.00 0.39 H new ATOM 0 HD21 LEU A 171 0.032 11.023 -0.445 1.00 0.40 H new ATOM 0 HD22 LEU A 171 -1.139 10.159 -1.469 1.00 0.40 H new ATOM 0 HD23 LEU A 171 -0.768 9.554 0.163 1.00 0.40 H new ATOM 290 N SER A 172 -0.263 4.733 -1.305 1.00 0.16 N ATOM 291 CA SER A 172 -0.745 3.462 -1.832 1.00 0.16 C ATOM 292 C SER A 172 -1.821 2.868 -0.928 1.00 0.15 C ATOM 293 O SER A 172 -2.907 2.517 -1.388 1.00 0.19 O ATOM 294 CB SER A 172 0.414 2.475 -1.983 1.00 0.19 C ATOM 295 OG SER A 172 1.312 2.894 -2.995 1.00 0.23 O ATOM 0 H SER A 172 0.735 4.753 -1.097 1.00 0.16 H new ATOM 0 HA SER A 172 -1.184 3.648 -2.812 1.00 0.16 H new ATOM 0 HB2 SER A 172 0.945 2.385 -1.035 1.00 0.19 H new ATOM 0 HB3 SER A 172 0.024 1.486 -2.225 1.00 0.19 H new ATOM 0 HG SER A 172 1.891 3.603 -2.646 1.00 0.23 H new ATOM 301 N HIS A 173 -1.512 2.759 0.359 1.00 0.13 N ATOM 302 CA HIS A 173 -2.455 2.209 1.327 1.00 0.17 C ATOM 303 C HIS A 173 -3.732 3.043 1.382 1.00 0.22 C ATOM 304 O HIS A 173 -4.835 2.512 1.259 1.00 0.27 O ATOM 305 CB HIS A 173 -1.813 2.140 2.715 1.00 0.20 C ATOM 306 CG HIS A 173 -0.687 1.156 2.802 1.00 0.20 C ATOM 307 ND1 HIS A 173 0.636 1.510 2.636 1.00 0.25 N ATOM 308 CD2 HIS A 173 -0.692 -0.176 3.041 1.00 0.25 C ATOM 309 CE1 HIS A 173 1.395 0.436 2.764 1.00 0.29 C ATOM 310 NE2 HIS A 173 0.614 -0.599 3.012 1.00 0.27 N ATOM 0 H HIS A 173 -0.617 3.044 0.757 1.00 0.13 H new ATOM 0 HA HIS A 173 -2.718 1.201 1.006 1.00 0.17 H new ATOM 0 HB2 HIS A 173 -1.443 3.129 2.985 1.00 0.20 H new ATOM 0 HB3 HIS A 173 -2.576 1.874 3.447 1.00 0.20 H new ATOM 0 HD1 HIS A 173 0.975 2.453 2.445 1.00 0.25 H new ATOM 0 HD2 HIS A 173 -1.561 -0.791 3.221 1.00 0.25 H new ATOM 0 HE1 HIS A 173 2.471 0.409 2.680 1.00 0.29 H new ATOM 0 HE2 HIS A 173 0.930 -1.558 3.158 1.00 0.27 H new ATOM 319 N LEU A 174 -3.574 4.350 1.561 1.00 0.23 N ATOM 320 CA LEU A 174 -4.716 5.255 1.634 1.00 0.29 C ATOM 321 C LEU A 174 -5.580 5.153 0.379 1.00 0.29 C ATOM 322 O LEU A 174 -6.792 4.953 0.463 1.00 0.34 O ATOM 323 CB LEU A 174 -4.238 6.696 1.823 1.00 0.32 C ATOM 324 CG LEU A 174 -3.509 6.968 3.139 1.00 0.36 C ATOM 325 CD1 LEU A 174 -3.035 8.412 3.199 1.00 0.41 C ATOM 326 CD2 LEU A 174 -4.414 6.653 4.321 1.00 0.47 C ATOM 0 H LEU A 174 -2.667 4.806 1.658 1.00 0.23 H new ATOM 0 HA LEU A 174 -5.323 4.963 2.491 1.00 0.29 H new ATOM 0 HB2 LEU A 174 -3.574 6.954 0.998 1.00 0.32 H new ATOM 0 HB3 LEU A 174 -5.100 7.360 1.759 1.00 0.32 H new ATOM 0 HG LEU A 174 -2.635 6.319 3.190 1.00 0.36 H new ATOM 0 HD11 LEU A 174 -2.519 8.586 4.143 1.00 0.41 H new ATOM 0 HD12 LEU A 174 -2.353 8.606 2.371 1.00 0.41 H new ATOM 0 HD13 LEU A 174 -3.893 9.080 3.126 1.00 0.41 H new ATOM 0 HD21 LEU A 174 -3.881 6.852 5.251 1.00 0.47 H new ATOM 0 HD22 LEU A 174 -5.306 7.278 4.273 1.00 0.47 H new ATOM 0 HD23 LEU A 174 -4.705 5.603 4.287 1.00 0.47 H new ATOM 338 N LEU A 175 -4.949 5.288 -0.783 1.00 0.26 N ATOM 339 CA LEU A 175 -5.664 5.214 -2.054 1.00 0.28 C ATOM 340 C LEU A 175 -6.390 3.880 -2.200 1.00 0.27 C ATOM 341 O LEU A 175 -7.576 3.842 -2.525 1.00 0.29 O ATOM 342 CB LEU A 175 -4.697 5.417 -3.220 1.00 0.30 C ATOM 343 CG LEU A 175 -4.136 6.833 -3.357 1.00 0.33 C ATOM 344 CD1 LEU A 175 -3.165 6.911 -4.524 1.00 0.37 C ATOM 345 CD2 LEU A 175 -5.265 7.838 -3.532 1.00 0.41 C ATOM 0 H LEU A 175 -3.946 5.449 -0.872 1.00 0.26 H new ATOM 0 HA LEU A 175 -6.409 6.010 -2.068 1.00 0.28 H new ATOM 0 HB2 LEU A 175 -3.865 4.722 -3.107 1.00 0.30 H new ATOM 0 HB3 LEU A 175 -5.208 5.154 -4.146 1.00 0.30 H new ATOM 0 HG LEU A 175 -3.595 7.080 -2.444 1.00 0.33 H new ATOM 0 HD11 LEU A 175 -2.776 7.926 -4.606 1.00 0.37 H new ATOM 0 HD12 LEU A 175 -2.340 6.218 -4.358 1.00 0.37 H new ATOM 0 HD13 LEU A 175 -3.682 6.645 -5.446 1.00 0.37 H new ATOM 0 HD21 LEU A 175 -4.848 8.841 -3.628 1.00 0.41 H new ATOM 0 HD22 LEU A 175 -5.833 7.594 -4.429 1.00 0.41 H new ATOM 0 HD23 LEU A 175 -5.923 7.800 -2.664 1.00 0.41 H new ATOM 357 N ALA A 176 -5.674 2.788 -1.955 1.00 0.26 N ATOM 358 CA ALA A 176 -6.259 1.455 -2.061 1.00 0.27 C ATOM 359 C ALA A 176 -7.553 1.370 -1.260 1.00 0.26 C ATOM 360 O ALA A 176 -8.595 0.964 -1.780 1.00 0.27 O ATOM 361 CB ALA A 176 -5.266 0.410 -1.579 1.00 0.27 C ATOM 0 H ALA A 176 -4.691 2.798 -1.683 1.00 0.26 H new ATOM 0 HA ALA A 176 -6.494 1.261 -3.108 1.00 0.27 H new ATOM 0 HB1 ALA A 176 -5.712 -0.581 -1.662 1.00 0.27 H new ATOM 0 HB2 ALA A 176 -4.365 0.455 -2.191 1.00 0.27 H new ATOM 0 HB3 ALA A 176 -5.008 0.606 -0.538 1.00 0.27 H new ATOM 367 N ILE A 177 -7.481 1.761 0.008 1.00 0.27 N ATOM 368 CA ILE A 177 -8.652 1.741 0.875 1.00 0.28 C ATOM 369 C ILE A 177 -9.749 2.625 0.295 1.00 0.26 C ATOM 370 O ILE A 177 -10.924 2.262 0.305 1.00 0.26 O ATOM 371 CB ILE A 177 -8.312 2.219 2.301 1.00 0.31 C ATOM 372 CG1 ILE A 177 -7.233 1.331 2.921 1.00 0.36 C ATOM 373 CG2 ILE A 177 -9.560 2.223 3.174 1.00 0.33 C ATOM 374 CD1 ILE A 177 -6.800 1.782 4.300 1.00 0.62 C ATOM 0 H ILE A 177 -6.627 2.094 0.456 1.00 0.27 H new ATOM 0 HA ILE A 177 -8.999 0.709 0.933 1.00 0.28 H new ATOM 0 HB ILE A 177 -7.929 3.238 2.239 1.00 0.31 H new ATOM 0 HG12 ILE A 177 -7.606 0.308 2.982 1.00 0.36 H new ATOM 0 HG13 ILE A 177 -6.364 1.315 2.263 1.00 0.36 H new ATOM 0 HG21 ILE A 177 -9.301 2.563 4.177 1.00 0.33 H new ATOM 0 HG22 ILE A 177 -10.303 2.894 2.744 1.00 0.33 H new ATOM 0 HG23 ILE A 177 -9.970 1.214 3.227 1.00 0.33 H new ATOM 0 HD11 ILE A 177 -6.033 1.107 4.679 1.00 0.62 H new ATOM 0 HD12 ILE A 177 -6.397 2.793 4.242 1.00 0.62 H new ATOM 0 HD13 ILE A 177 -7.658 1.771 4.972 1.00 0.62 H new ATOM 386 N GLY A 178 -9.353 3.791 -0.209 1.00 0.26 N ATOM 387 CA GLY A 178 -10.311 4.705 -0.799 1.00 0.27 C ATOM 388 C GLY A 178 -11.092 4.055 -1.921 1.00 0.26 C ATOM 389 O GLY A 178 -12.315 4.181 -1.992 1.00 0.28 O ATOM 0 H GLY A 178 -8.387 4.117 -0.219 1.00 0.26 H new ATOM 0 HA2 GLY A 178 -11.001 5.054 -0.031 1.00 0.27 H new ATOM 0 HA3 GLY A 178 -9.789 5.582 -1.181 1.00 0.27 H new ATOM 393 N LEU A 179 -10.382 3.356 -2.804 1.00 0.25 N ATOM 394 CA LEU A 179 -11.019 2.673 -3.921 1.00 0.27 C ATOM 395 C LEU A 179 -12.094 1.724 -3.409 1.00 0.26 C ATOM 396 O LEU A 179 -13.219 1.712 -3.908 1.00 0.28 O ATOM 397 CB LEU A 179 -9.983 1.896 -4.739 1.00 0.33 C ATOM 398 CG LEU A 179 -8.837 2.737 -5.304 1.00 0.36 C ATOM 399 CD1 LEU A 179 -7.980 1.905 -6.247 1.00 0.43 C ATOM 400 CD2 LEU A 179 -9.380 3.965 -6.020 1.00 0.43 C ATOM 0 H LEU A 179 -9.368 3.249 -2.766 1.00 0.25 H new ATOM 0 HA LEU A 179 -11.480 3.421 -4.565 1.00 0.27 H new ATOM 0 HB2 LEU A 179 -9.561 1.111 -4.111 1.00 0.33 H new ATOM 0 HB3 LEU A 179 -10.493 1.402 -5.566 1.00 0.33 H new ATOM 0 HG LEU A 179 -8.213 3.070 -4.475 1.00 0.36 H new ATOM 0 HD11 LEU A 179 -7.170 2.519 -6.640 1.00 0.43 H new ATOM 0 HD12 LEU A 179 -7.562 1.056 -5.706 1.00 0.43 H new ATOM 0 HD13 LEU A 179 -8.593 1.543 -7.072 1.00 0.43 H new ATOM 0 HD21 LEU A 179 -8.551 4.552 -6.416 1.00 0.43 H new ATOM 0 HD22 LEU A 179 -10.027 3.652 -6.840 1.00 0.43 H new ATOM 0 HD23 LEU A 179 -9.952 4.572 -5.318 1.00 0.43 H new ATOM 412 N GLY A 180 -11.738 0.930 -2.404 1.00 0.25 N ATOM 413 CA GLY A 180 -12.682 -0.010 -1.830 1.00 0.27 C ATOM 414 C GLY A 180 -13.958 0.666 -1.364 1.00 0.26 C ATOM 415 O GLY A 180 -15.056 0.164 -1.601 1.00 0.29 O ATOM 0 H GLY A 180 -10.812 0.921 -1.977 1.00 0.25 H new ATOM 0 HA2 GLY A 180 -12.927 -0.773 -2.569 1.00 0.27 H new ATOM 0 HA3 GLY A 180 -12.216 -0.521 -0.988 1.00 0.27 H new ATOM 419 N ILE A 181 -13.812 1.809 -0.698 1.00 0.28 N ATOM 420 CA ILE A 181 -14.961 2.557 -0.199 1.00 0.34 C ATOM 421 C ILE A 181 -15.905 2.935 -1.336 1.00 0.32 C ATOM 422 O ILE A 181 -17.104 2.666 -1.276 1.00 0.36 O ATOM 423 CB ILE A 181 -14.519 3.839 0.537 1.00 0.42 C ATOM 424 CG1 ILE A 181 -13.587 3.489 1.698 1.00 0.49 C ATOM 425 CG2 ILE A 181 -15.730 4.614 1.038 1.00 0.49 C ATOM 426 CD1 ILE A 181 -14.242 2.637 2.763 1.00 0.89 C ATOM 0 H ILE A 181 -12.909 2.237 -0.492 1.00 0.28 H new ATOM 0 HA ILE A 181 -15.484 1.907 0.502 1.00 0.34 H new ATOM 0 HB ILE A 181 -13.976 4.472 -0.165 1.00 0.42 H new ATOM 0 HG12 ILE A 181 -12.716 2.963 1.308 1.00 0.49 H new ATOM 0 HG13 ILE A 181 -13.225 4.411 2.153 1.00 0.49 H new ATOM 0 HG21 ILE A 181 -15.398 5.515 1.554 1.00 0.49 H new ATOM 0 HG22 ILE A 181 -16.359 4.892 0.193 1.00 0.49 H new ATOM 0 HG23 ILE A 181 -16.301 3.991 1.726 1.00 0.49 H new ATOM 0 HD11 ILE A 181 -13.523 2.428 3.555 1.00 0.89 H new ATOM 0 HD12 ILE A 181 -15.096 3.170 3.180 1.00 0.89 H new ATOM 0 HD13 ILE A 181 -14.579 1.699 2.322 1.00 0.89 H new ATOM 438 N TYR A 182 -15.355 3.557 -2.375 1.00 0.31 N ATOM 439 CA TYR A 182 -16.148 3.970 -3.526 1.00 0.35 C ATOM 440 C TYR A 182 -16.931 2.791 -4.095 1.00 0.36 C ATOM 441 O TYR A 182 -18.132 2.893 -4.346 1.00 0.42 O ATOM 442 CB TYR A 182 -15.243 4.566 -4.605 1.00 0.39 C ATOM 443 CG TYR A 182 -15.972 4.930 -5.880 1.00 0.51 C ATOM 444 CD1 TYR A 182 -17.129 5.698 -5.848 1.00 1.19 C ATOM 445 CD2 TYR A 182 -15.500 4.506 -7.116 1.00 1.43 C ATOM 446 CE1 TYR A 182 -17.796 6.032 -7.011 1.00 1.21 C ATOM 447 CE2 TYR A 182 -16.161 4.836 -8.284 1.00 1.56 C ATOM 448 CZ TYR A 182 -17.309 5.598 -8.226 1.00 0.81 C ATOM 449 OH TYR A 182 -17.970 5.928 -9.387 1.00 0.98 O ATOM 0 H TYR A 182 -14.363 3.786 -2.442 1.00 0.31 H new ATOM 0 HA TYR A 182 -16.857 4.729 -3.197 1.00 0.35 H new ATOM 0 HB2 TYR A 182 -14.758 5.458 -4.208 1.00 0.39 H new ATOM 0 HB3 TYR A 182 -14.454 3.852 -4.840 1.00 0.39 H new ATOM 0 HD1 TYR A 182 -17.514 6.040 -4.898 1.00 1.19 H new ATOM 0 HD2 TYR A 182 -14.602 3.909 -7.165 1.00 1.43 H new ATOM 0 HE1 TYR A 182 -18.694 6.630 -6.969 1.00 1.21 H new ATOM 0 HE2 TYR A 182 -15.781 4.499 -9.237 1.00 1.56 H new ATOM 0 HH TYR A 182 -17.495 5.545 -10.154 1.00 0.98 H new ATOM 459 N ILE A 183 -16.241 1.673 -4.293 1.00 0.35 N ATOM 460 CA ILE A 183 -16.867 0.470 -4.830 1.00 0.43 C ATOM 461 C ILE A 183 -17.963 -0.043 -3.901 1.00 0.45 C ATOM 462 O ILE A 183 -19.037 -0.443 -4.350 1.00 0.55 O ATOM 463 CB ILE A 183 -15.829 -0.648 -5.046 1.00 0.48 C ATOM 464 CG1 ILE A 183 -14.703 -0.162 -5.960 1.00 0.54 C ATOM 465 CG2 ILE A 183 -16.496 -1.885 -5.630 1.00 0.56 C ATOM 466 CD1 ILE A 183 -13.574 -1.158 -6.112 1.00 0.83 C ATOM 0 H ILE A 183 -15.246 1.575 -4.089 1.00 0.35 H new ATOM 0 HA ILE A 183 -17.308 0.742 -5.789 1.00 0.43 H new ATOM 0 HB ILE A 183 -15.398 -0.913 -4.081 1.00 0.48 H new ATOM 0 HG12 ILE A 183 -15.115 0.060 -6.944 1.00 0.54 H new ATOM 0 HG13 ILE A 183 -14.302 0.771 -5.564 1.00 0.54 H new ATOM 0 HG21 ILE A 183 -15.750 -2.666 -5.777 1.00 0.56 H new ATOM 0 HG22 ILE A 183 -17.265 -2.242 -4.944 1.00 0.56 H new ATOM 0 HG23 ILE A 183 -16.952 -1.635 -6.588 1.00 0.56 H new ATOM 0 HD11 ILE A 183 -12.812 -0.746 -6.773 1.00 0.83 H new ATOM 0 HD12 ILE A 183 -13.135 -1.362 -5.135 1.00 0.83 H new ATOM 0 HD13 ILE A 183 -13.961 -2.084 -6.537 1.00 0.83 H new ATOM 478 N GLY A 184 -17.681 -0.033 -2.603 1.00 0.40 N ATOM 479 CA GLY A 184 -18.647 -0.502 -1.628 1.00 0.46 C ATOM 480 C GLY A 184 -19.922 0.322 -1.613 1.00 0.52 C ATOM 481 O GLY A 184 -21.023 -0.229 -1.616 1.00 0.64 O ATOM 0 H GLY A 184 -16.799 0.292 -2.208 1.00 0.40 H new ATOM 0 HA2 GLY A 184 -18.895 -1.542 -1.842 1.00 0.46 H new ATOM 0 HA3 GLY A 184 -18.195 -0.480 -0.637 1.00 0.46 H new ATOM 485 N ARG A 185 -19.774 1.642 -1.595 1.00 0.48 N ATOM 486 CA ARG A 185 -20.925 2.541 -1.569 1.00 0.59 C ATOM 487 C ARG A 185 -21.786 2.380 -2.819 1.00 0.67 C ATOM 488 O ARG A 185 -23.015 2.388 -2.738 1.00 0.83 O ATOM 489 CB ARG A 185 -20.462 3.994 -1.436 1.00 0.59 C ATOM 490 CG ARG A 185 -19.590 4.464 -2.582 1.00 0.51 C ATOM 491 CD ARG A 185 -19.394 5.971 -2.555 1.00 0.85 C ATOM 492 NE ARG A 185 -18.596 6.401 -1.409 1.00 1.32 N ATOM 493 CZ ARG A 185 -18.326 7.674 -1.134 1.00 1.98 C ATOM 494 NH1 ARG A 185 -18.799 8.637 -1.913 1.00 2.27 N ATOM 495 NH2 ARG A 185 -17.586 7.983 -0.078 1.00 2.54 N ATOM 0 H ARG A 185 -18.870 2.114 -1.598 1.00 0.48 H new ATOM 0 HA ARG A 185 -21.533 2.277 -0.703 1.00 0.59 H new ATOM 0 HB2 ARG A 185 -21.337 4.640 -1.369 1.00 0.59 H new ATOM 0 HB3 ARG A 185 -19.911 4.106 -0.502 1.00 0.59 H new ATOM 0 HG2 ARG A 185 -18.620 3.969 -2.528 1.00 0.51 H new ATOM 0 HG3 ARG A 185 -20.044 4.173 -3.529 1.00 0.51 H new ATOM 0 HD2 ARG A 185 -18.906 6.289 -3.476 1.00 0.85 H new ATOM 0 HD3 ARG A 185 -20.367 6.462 -2.524 1.00 0.85 H new ATOM 0 HE ARG A 185 -18.225 5.685 -0.785 1.00 1.32 H new ATOM 0 HH11 ARG A 185 -19.371 8.402 -2.724 1.00 2.27 H new ATOM 0 HH12 ARG A 185 -18.591 9.613 -1.701 1.00 2.27 H new ATOM 0 HH21 ARG A 185 -17.223 7.244 0.524 1.00 2.54 H new ATOM 0 HH22 ARG A 185 -17.380 8.960 0.132 1.00 2.54 H new ATOM 509 N ARG A 186 -21.142 2.232 -3.971 1.00 0.63 N ATOM 510 CA ARG A 186 -21.864 2.070 -5.228 1.00 0.74 C ATOM 511 C ARG A 186 -22.590 0.725 -5.287 1.00 0.85 C ATOM 512 O ARG A 186 -23.380 0.481 -6.200 1.00 1.06 O ATOM 513 CB ARG A 186 -20.909 2.202 -6.417 1.00 0.80 C ATOM 514 CG ARG A 186 -19.774 1.192 -6.411 1.00 1.24 C ATOM 515 CD ARG A 186 -18.930 1.294 -7.671 1.00 1.58 C ATOM 516 NE ARG A 186 -19.687 0.933 -8.867 1.00 2.38 N ATOM 517 CZ ARG A 186 -19.136 0.765 -10.065 1.00 2.95 C ATOM 518 NH1 ARG A 186 -17.830 0.937 -10.226 1.00 2.93 N ATOM 519 NH2 ARG A 186 -19.889 0.429 -11.103 1.00 3.95 N ATOM 0 H ARG A 186 -20.126 2.221 -4.061 1.00 0.63 H new ATOM 0 HA ARG A 186 -22.612 2.861 -5.282 1.00 0.74 H new ATOM 0 HB2 ARG A 186 -21.477 2.090 -7.341 1.00 0.80 H new ATOM 0 HB3 ARG A 186 -20.488 3.207 -6.422 1.00 0.80 H new ATOM 0 HG2 ARG A 186 -19.145 1.356 -5.536 1.00 1.24 H new ATOM 0 HG3 ARG A 186 -20.182 0.185 -6.326 1.00 1.24 H new ATOM 0 HD2 ARG A 186 -18.553 2.312 -7.774 1.00 1.58 H new ATOM 0 HD3 ARG A 186 -18.062 0.641 -7.580 1.00 1.58 H new ATOM 0 HE ARG A 186 -20.695 0.803 -8.778 1.00 2.38 H new ATOM 0 HH11 ARG A 186 -17.248 1.198 -9.430 1.00 2.93 H new ATOM 0 HH12 ARG A 186 -17.408 0.808 -11.146 1.00 2.93 H new ATOM 0 HH21 ARG A 186 -20.894 0.299 -10.983 1.00 3.95 H new ATOM 0 HH22 ARG A 186 -19.464 0.301 -12.021 1.00 3.95 H new ATOM 775 N PRO B 167 7.168 -7.745 -2.484 1.00 0.73 N ATOM 776 CA PRO B 167 6.176 -8.552 -1.768 1.00 0.63 C ATOM 777 C PRO B 167 5.239 -7.705 -0.914 1.00 0.56 C ATOM 778 O PRO B 167 4.018 -7.800 -1.032 1.00 0.69 O ATOM 779 CB PRO B 167 7.039 -9.455 -0.891 1.00 0.87 C ATOM 780 CG PRO B 167 8.293 -9.640 -1.673 1.00 1.07 C ATOM 781 CD PRO B 167 8.512 -8.353 -2.427 1.00 0.96 C ATOM 0 HA PRO B 167 5.516 -9.093 -2.447 1.00 0.63 H new ATOM 0 HB2 PRO B 167 7.238 -8.996 0.077 1.00 0.87 H new ATOM 0 HB3 PRO B 167 6.547 -10.408 -0.697 1.00 0.87 H new ATOM 0 HG2 PRO B 167 9.135 -9.853 -1.014 1.00 1.07 H new ATOM 0 HG3 PRO B 167 8.203 -10.483 -2.359 1.00 1.07 H new ATOM 0 HD2 PRO B 167 9.223 -7.705 -1.914 1.00 0.96 H new ATOM 0 HD3 PRO B 167 8.911 -8.537 -3.425 1.00 0.96 H new ATOM 789 N SER B 168 5.819 -6.877 -0.054 1.00 0.55 N ATOM 790 CA SER B 168 5.037 -6.013 0.821 1.00 0.55 C ATOM 791 C SER B 168 4.116 -5.101 0.013 1.00 0.44 C ATOM 792 O SER B 168 2.959 -4.890 0.380 1.00 0.41 O ATOM 793 CB SER B 168 5.965 -5.173 1.700 1.00 0.72 C ATOM 794 OG SER B 168 5.227 -4.288 2.525 1.00 1.59 O ATOM 0 H SER B 168 6.829 -6.786 0.056 1.00 0.55 H new ATOM 0 HA SER B 168 4.418 -6.647 1.456 1.00 0.55 H new ATOM 0 HB2 SER B 168 6.575 -5.829 2.321 1.00 0.72 H new ATOM 0 HB3 SER B 168 6.649 -4.603 1.071 1.00 0.72 H new ATOM 0 HG SER B 168 5.844 -3.764 3.077 1.00 1.59 H new ATOM 800 N LEU B 169 4.635 -4.564 -1.086 1.00 0.46 N ATOM 801 CA LEU B 169 3.861 -3.669 -1.942 1.00 0.45 C ATOM 802 C LEU B 169 2.606 -4.357 -2.476 1.00 0.33 C ATOM 803 O LEU B 169 1.502 -3.822 -2.365 1.00 0.31 O ATOM 804 CB LEU B 169 4.718 -3.174 -3.108 1.00 0.60 C ATOM 805 CG LEU B 169 6.031 -2.503 -2.705 1.00 0.77 C ATOM 806 CD1 LEU B 169 6.677 -1.830 -3.907 1.00 1.09 C ATOM 807 CD2 LEU B 169 5.798 -1.497 -1.589 1.00 0.77 C ATOM 0 H LEU B 169 5.589 -4.732 -1.406 1.00 0.46 H new ATOM 0 HA LEU B 169 3.551 -2.817 -1.336 1.00 0.45 H new ATOM 0 HB2 LEU B 169 4.944 -4.019 -3.758 1.00 0.60 H new ATOM 0 HB3 LEU B 169 4.132 -2.468 -3.696 1.00 0.60 H new ATOM 0 HG LEU B 169 6.710 -3.271 -2.336 1.00 0.77 H new ATOM 0 HD11 LEU B 169 7.611 -1.358 -3.601 1.00 1.09 H new ATOM 0 HD12 LEU B 169 6.882 -2.576 -4.675 1.00 1.09 H new ATOM 0 HD13 LEU B 169 6.002 -1.074 -4.307 1.00 1.09 H new ATOM 0 HD21 LEU B 169 6.745 -1.030 -1.316 1.00 0.77 H new ATOM 0 HD22 LEU B 169 5.101 -0.731 -1.929 1.00 0.77 H new ATOM 0 HD23 LEU B 169 5.382 -2.007 -0.720 1.00 0.77 H new ATOM 819 N LEU B 170 2.778 -5.541 -3.056 1.00 0.34 N ATOM 820 CA LEU B 170 1.653 -6.290 -3.610 1.00 0.36 C ATOM 821 C LEU B 170 0.622 -6.604 -2.531 1.00 0.28 C ATOM 822 O LEU B 170 -0.574 -6.377 -2.718 1.00 0.32 O ATOM 823 CB LEU B 170 2.130 -7.587 -4.269 1.00 0.47 C ATOM 824 CG LEU B 170 2.860 -7.420 -5.607 1.00 0.59 C ATOM 825 CD1 LEU B 170 4.139 -6.618 -5.435 1.00 0.60 C ATOM 826 CD2 LEU B 170 3.164 -8.778 -6.222 1.00 0.72 C ATOM 0 H LEU B 170 3.682 -6.002 -3.155 1.00 0.34 H new ATOM 0 HA LEU B 170 1.184 -5.665 -4.370 1.00 0.36 H new ATOM 0 HB2 LEU B 170 2.794 -8.103 -3.575 1.00 0.47 H new ATOM 0 HB3 LEU B 170 1.266 -8.233 -4.425 1.00 0.47 H new ATOM 0 HG LEU B 170 2.204 -6.870 -6.282 1.00 0.59 H new ATOM 0 HD11 LEU B 170 4.636 -6.515 -6.399 1.00 0.60 H new ATOM 0 HD12 LEU B 170 3.899 -5.630 -5.043 1.00 0.60 H new ATOM 0 HD13 LEU B 170 4.801 -7.133 -4.739 1.00 0.60 H new ATOM 0 HD21 LEU B 170 3.682 -8.640 -7.171 1.00 0.72 H new ATOM 0 HD22 LEU B 170 3.796 -9.351 -5.544 1.00 0.72 H new ATOM 0 HD23 LEU B 170 2.232 -9.317 -6.393 1.00 0.72 H new ATOM 838 N LEU B 171 1.091 -7.129 -1.405 1.00 0.24 N ATOM 839 CA LEU B 171 0.208 -7.473 -0.297 1.00 0.26 C ATOM 840 C LEU B 171 -0.500 -6.233 0.240 1.00 0.23 C ATOM 841 O LEU B 171 -1.691 -6.269 0.546 1.00 0.29 O ATOM 842 CB LEU B 171 1.002 -8.148 0.823 1.00 0.32 C ATOM 843 CG LEU B 171 1.635 -9.490 0.448 1.00 0.38 C ATOM 844 CD1 LEU B 171 2.431 -10.052 1.616 1.00 0.47 C ATOM 845 CD2 LEU B 171 0.564 -10.477 0.007 1.00 0.50 C ATOM 0 H LEU B 171 2.077 -7.326 -1.235 1.00 0.24 H new ATOM 0 HA LEU B 171 -0.547 -8.167 -0.667 1.00 0.26 H new ATOM 0 HB2 LEU B 171 1.791 -7.470 1.149 1.00 0.32 H new ATOM 0 HB3 LEU B 171 0.341 -8.301 1.676 1.00 0.32 H new ATOM 0 HG LEU B 171 2.319 -9.327 -0.385 1.00 0.38 H new ATOM 0 HD11 LEU B 171 2.873 -11.006 1.329 1.00 0.47 H new ATOM 0 HD12 LEU B 171 3.222 -9.353 1.887 1.00 0.47 H new ATOM 0 HD13 LEU B 171 1.769 -10.200 2.469 1.00 0.47 H new ATOM 0 HD21 LEU B 171 1.030 -11.426 -0.256 1.00 0.50 H new ATOM 0 HD22 LEU B 171 -0.144 -10.634 0.821 1.00 0.50 H new ATOM 0 HD23 LEU B 171 0.037 -10.079 -0.860 1.00 0.50 H new ATOM 857 N SER B 172 0.241 -5.135 0.349 1.00 0.18 N ATOM 858 CA SER B 172 -0.313 -3.884 0.851 1.00 0.19 C ATOM 859 C SER B 172 -1.499 -3.423 0.008 1.00 0.14 C ATOM 860 O SER B 172 -2.577 -3.145 0.537 1.00 0.18 O ATOM 861 CB SER B 172 0.763 -2.797 0.861 1.00 0.23 C ATOM 862 OG SER B 172 1.784 -3.097 1.797 1.00 0.31 O ATOM 0 H SER B 172 1.228 -5.087 0.096 1.00 0.18 H new ATOM 0 HA SER B 172 -0.663 -4.060 1.868 1.00 0.19 H new ATOM 0 HB2 SER B 172 1.196 -2.700 -0.135 1.00 0.23 H new ATOM 0 HB3 SER B 172 0.311 -1.836 1.107 1.00 0.23 H new ATOM 0 HG SER B 172 2.196 -3.956 1.568 1.00 0.31 H new ATOM 868 N HIS B 173 -1.296 -3.346 -1.302 1.00 0.12 N ATOM 869 CA HIS B 173 -2.349 -2.911 -2.214 1.00 0.15 C ATOM 870 C HIS B 173 -3.543 -3.861 -2.178 1.00 0.20 C ATOM 871 O HIS B 173 -4.678 -3.431 -1.981 1.00 0.25 O ATOM 872 CB HIS B 173 -1.803 -2.808 -3.640 1.00 0.19 C ATOM 873 CG HIS B 173 -0.747 -1.757 -3.803 1.00 0.21 C ATOM 874 ND1 HIS B 173 0.595 -2.048 -3.920 1.00 0.26 N ATOM 875 CD2 HIS B 173 -0.844 -0.406 -3.869 1.00 0.25 C ATOM 876 CE1 HIS B 173 1.279 -0.925 -4.051 1.00 0.30 C ATOM 877 NE2 HIS B 173 0.430 0.085 -4.024 1.00 0.28 N ATOM 0 H HIS B 173 -0.413 -3.579 -1.757 1.00 0.12 H new ATOM 0 HA HIS B 173 -2.690 -1.928 -1.888 1.00 0.15 H new ATOM 0 HB2 HIS B 173 -1.391 -3.774 -3.933 1.00 0.19 H new ATOM 0 HB3 HIS B 173 -2.626 -2.593 -4.321 1.00 0.19 H new ATOM 0 HD1 HIS B 173 0.998 -2.985 -3.907 1.00 0.26 H new ATOM 0 HD2 HIS B 173 -1.752 0.175 -3.811 1.00 0.25 H new ATOM 0 HE1 HIS B 173 2.351 -0.847 -4.161 1.00 0.30 H new ATOM 886 N LEU B 174 -3.286 -5.151 -2.361 1.00 0.21 N ATOM 887 CA LEU B 174 -4.357 -6.142 -2.348 1.00 0.28 C ATOM 888 C LEU B 174 -5.164 -6.047 -1.057 1.00 0.28 C ATOM 889 O LEU B 174 -6.389 -5.931 -1.084 1.00 0.31 O ATOM 890 CB LEU B 174 -3.779 -7.551 -2.499 1.00 0.32 C ATOM 891 CG LEU B 174 -3.056 -7.817 -3.820 1.00 0.34 C ATOM 892 CD1 LEU B 174 -2.446 -9.209 -3.822 1.00 0.40 C ATOM 893 CD2 LEU B 174 -4.013 -7.651 -4.992 1.00 0.44 C ATOM 0 H LEU B 174 -2.354 -5.534 -2.519 1.00 0.21 H new ATOM 0 HA LEU B 174 -5.020 -5.938 -3.189 1.00 0.28 H new ATOM 0 HB2 LEU B 174 -3.084 -7.731 -1.679 1.00 0.32 H new ATOM 0 HB3 LEU B 174 -4.589 -8.273 -2.394 1.00 0.32 H new ATOM 0 HG LEU B 174 -2.251 -7.090 -3.926 1.00 0.34 H new ATOM 0 HD11 LEU B 174 -1.936 -9.381 -4.770 1.00 0.40 H new ATOM 0 HD12 LEU B 174 -1.731 -9.294 -3.004 1.00 0.40 H new ATOM 0 HD13 LEU B 174 -3.234 -9.952 -3.694 1.00 0.40 H new ATOM 0 HD21 LEU B 174 -3.483 -7.844 -5.925 1.00 0.44 H new ATOM 0 HD22 LEU B 174 -4.838 -8.356 -4.891 1.00 0.44 H new ATOM 0 HD23 LEU B 174 -4.405 -6.634 -5.001 1.00 0.44 H new ATOM 905 N LEU B 175 -4.465 -6.102 0.071 1.00 0.27 N ATOM 906 CA LEU B 175 -5.110 -6.014 1.376 1.00 0.30 C ATOM 907 C LEU B 175 -5.788 -4.661 1.560 1.00 0.27 C ATOM 908 O LEU B 175 -6.954 -4.584 1.947 1.00 0.28 O ATOM 909 CB LEU B 175 -4.085 -6.237 2.490 1.00 0.33 C ATOM 910 CG LEU B 175 -3.477 -7.640 2.542 1.00 0.38 C ATOM 911 CD1 LEU B 175 -2.454 -7.736 3.663 1.00 0.43 C ATOM 912 CD2 LEU B 175 -4.566 -8.686 2.722 1.00 0.46 C ATOM 0 H LEU B 175 -3.451 -6.207 0.108 1.00 0.27 H new ATOM 0 HA LEU B 175 -5.872 -6.792 1.429 1.00 0.30 H new ATOM 0 HB2 LEU B 175 -3.279 -5.513 2.371 1.00 0.33 H new ATOM 0 HB3 LEU B 175 -4.562 -6.029 3.448 1.00 0.33 H new ATOM 0 HG LEU B 175 -2.970 -7.831 1.596 1.00 0.38 H new ATOM 0 HD11 LEU B 175 -2.032 -8.741 3.685 1.00 0.43 H new ATOM 0 HD12 LEU B 175 -1.658 -7.012 3.492 1.00 0.43 H new ATOM 0 HD13 LEU B 175 -2.938 -7.525 4.616 1.00 0.43 H new ATOM 0 HD21 LEU B 175 -4.116 -9.678 2.757 1.00 0.46 H new ATOM 0 HD22 LEU B 175 -5.101 -8.498 3.653 1.00 0.46 H new ATOM 0 HD23 LEU B 175 -5.263 -8.633 1.886 1.00 0.46 H new ATOM 924 N ALA B 176 -5.047 -3.594 1.275 1.00 0.25 N ATOM 925 CA ALA B 176 -5.563 -2.238 1.419 1.00 0.23 C ATOM 926 C ALA B 176 -6.897 -2.064 0.698 1.00 0.20 C ATOM 927 O ALA B 176 -7.874 -1.606 1.290 1.00 0.20 O ATOM 928 CB ALA B 176 -4.545 -1.234 0.900 1.00 0.24 C ATOM 0 H ALA B 176 -4.084 -3.644 0.942 1.00 0.25 H new ATOM 0 HA ALA B 176 -5.736 -2.057 2.480 1.00 0.23 H new ATOM 0 HB1 ALA B 176 -4.940 -0.224 1.012 1.00 0.24 H new ATOM 0 HB2 ALA B 176 -3.620 -1.327 1.469 1.00 0.24 H new ATOM 0 HB3 ALA B 176 -4.345 -1.430 -0.153 1.00 0.24 H new ATOM 934 N ILE B 177 -6.935 -2.429 -0.581 1.00 0.20 N ATOM 935 CA ILE B 177 -8.159 -2.309 -1.366 1.00 0.20 C ATOM 936 C ILE B 177 -9.263 -3.183 -0.779 1.00 0.20 C ATOM 937 O ILE B 177 -10.400 -2.739 -0.611 1.00 0.20 O ATOM 938 CB ILE B 177 -7.933 -2.702 -2.841 1.00 0.24 C ATOM 939 CG1 ILE B 177 -6.842 -1.829 -3.465 1.00 0.25 C ATOM 940 CG2 ILE B 177 -9.228 -2.573 -3.631 1.00 0.26 C ATOM 941 CD1 ILE B 177 -6.497 -2.216 -4.887 1.00 0.31 C ATOM 0 H ILE B 177 -6.138 -2.808 -1.092 1.00 0.20 H new ATOM 0 HA ILE B 177 -8.460 -1.262 -1.328 1.00 0.20 H new ATOM 0 HB ILE B 177 -7.608 -3.742 -2.874 1.00 0.24 H new ATOM 0 HG12 ILE B 177 -7.167 -0.789 -3.449 1.00 0.25 H new ATOM 0 HG13 ILE B 177 -5.943 -1.892 -2.852 1.00 0.25 H new ATOM 0 HG21 ILE B 177 -9.050 -2.854 -4.669 1.00 0.26 H new ATOM 0 HG22 ILE B 177 -9.983 -3.231 -3.201 1.00 0.26 H new ATOM 0 HG23 ILE B 177 -9.579 -1.542 -3.589 1.00 0.26 H new ATOM 0 HD11 ILE B 177 -5.717 -1.555 -5.265 1.00 0.31 H new ATOM 0 HD12 ILE B 177 -6.141 -3.246 -4.908 1.00 0.31 H new ATOM 0 HD13 ILE B 177 -7.384 -2.126 -5.514 1.00 0.31 H new ATOM 953 N GLY B 178 -8.918 -4.429 -0.465 1.00 0.23 N ATOM 954 CA GLY B 178 -9.888 -5.341 0.108 1.00 0.26 C ATOM 955 C GLY B 178 -10.494 -4.795 1.384 1.00 0.24 C ATOM 956 O GLY B 178 -11.711 -4.834 1.567 1.00 0.26 O ATOM 0 H GLY B 178 -7.986 -4.821 -0.597 1.00 0.23 H new ATOM 0 HA2 GLY B 178 -10.679 -5.531 -0.617 1.00 0.26 H new ATOM 0 HA3 GLY B 178 -9.408 -6.298 0.315 1.00 0.26 H new ATOM 960 N LEU B 179 -9.643 -4.284 2.269 1.00 0.25 N ATOM 961 CA LEU B 179 -10.106 -3.717 3.528 1.00 0.28 C ATOM 962 C LEU B 179 -11.143 -2.633 3.267 1.00 0.25 C ATOM 963 O LEU B 179 -12.193 -2.593 3.908 1.00 0.29 O ATOM 964 CB LEU B 179 -8.932 -3.142 4.323 1.00 0.33 C ATOM 965 CG LEU B 179 -7.940 -4.177 4.856 1.00 0.39 C ATOM 966 CD1 LEU B 179 -6.748 -3.491 5.504 1.00 0.47 C ATOM 967 CD2 LEU B 179 -8.624 -5.107 5.847 1.00 0.43 C ATOM 0 H LEU B 179 -8.632 -4.252 2.137 1.00 0.25 H new ATOM 0 HA LEU B 179 -10.566 -4.512 4.115 1.00 0.28 H new ATOM 0 HB2 LEU B 179 -8.393 -2.439 3.688 1.00 0.33 H new ATOM 0 HB3 LEU B 179 -9.327 -2.573 5.165 1.00 0.33 H new ATOM 0 HG LEU B 179 -7.579 -4.772 4.017 1.00 0.39 H new ATOM 0 HD11 LEU B 179 -6.054 -4.244 5.877 1.00 0.47 H new ATOM 0 HD12 LEU B 179 -6.244 -2.865 4.768 1.00 0.47 H new ATOM 0 HD13 LEU B 179 -7.091 -2.871 6.333 1.00 0.47 H new ATOM 0 HD21 LEU B 179 -7.904 -5.837 6.217 1.00 0.43 H new ATOM 0 HD22 LEU B 179 -9.013 -4.525 6.683 1.00 0.43 H new ATOM 0 HD23 LEU B 179 -9.445 -5.625 5.352 1.00 0.43 H new ATOM 979 N GLY B 180 -10.841 -1.755 2.315 1.00 0.22 N ATOM 980 CA GLY B 180 -11.762 -0.689 1.974 1.00 0.23 C ATOM 981 C GLY B 180 -13.131 -1.224 1.612 1.00 0.22 C ATOM 982 O GLY B 180 -14.151 -0.668 2.019 1.00 0.27 O ATOM 0 H GLY B 180 -9.976 -1.764 1.775 1.00 0.22 H new ATOM 0 HA2 GLY B 180 -11.851 -0.002 2.816 1.00 0.23 H new ATOM 0 HA3 GLY B 180 -11.362 -0.117 1.137 1.00 0.23 H new ATOM 986 N ILE B 181 -13.154 -2.310 0.843 1.00 0.21 N ATOM 987 CA ILE B 181 -14.409 -2.928 0.435 1.00 0.27 C ATOM 988 C ILE B 181 -15.232 -3.328 1.656 1.00 0.29 C ATOM 989 O ILE B 181 -16.411 -2.995 1.759 1.00 0.35 O ATOM 990 CB ILE B 181 -14.167 -4.179 -0.436 1.00 0.34 C ATOM 991 CG1 ILE B 181 -13.360 -3.815 -1.685 1.00 0.38 C ATOM 992 CG2 ILE B 181 -15.491 -4.822 -0.826 1.00 0.44 C ATOM 993 CD1 ILE B 181 -14.092 -2.889 -2.630 1.00 0.93 C ATOM 0 H ILE B 181 -12.319 -2.778 0.491 1.00 0.21 H new ATOM 0 HA ILE B 181 -14.954 -2.189 -0.153 1.00 0.27 H new ATOM 0 HB ILE B 181 -13.593 -4.899 0.148 1.00 0.34 H new ATOM 0 HG12 ILE B 181 -12.426 -3.344 -1.379 1.00 0.38 H new ATOM 0 HG13 ILE B 181 -13.097 -4.729 -2.217 1.00 0.38 H new ATOM 0 HG21 ILE B 181 -15.301 -5.702 -1.440 1.00 0.44 H new ATOM 0 HG22 ILE B 181 -16.031 -5.117 0.074 1.00 0.44 H new ATOM 0 HG23 ILE B 181 -16.090 -4.108 -1.391 1.00 0.44 H new ATOM 0 HD11 ILE B 181 -13.460 -2.674 -3.492 1.00 0.93 H new ATOM 0 HD12 ILE B 181 -15.013 -3.365 -2.965 1.00 0.93 H new ATOM 0 HD13 ILE B 181 -14.331 -1.959 -2.115 1.00 0.93 H new ATOM 1005 N TYR B 182 -14.596 -4.043 2.579 1.00 0.31 N ATOM 1006 CA TYR B 182 -15.263 -4.499 3.793 1.00 0.40 C ATOM 1007 C TYR B 182 -15.813 -3.323 4.597 1.00 0.44 C ATOM 1008 O TYR B 182 -16.978 -3.323 4.994 1.00 0.52 O ATOM 1009 CB TYR B 182 -14.294 -5.311 4.655 1.00 0.44 C ATOM 1010 CG TYR B 182 -14.900 -5.803 5.950 1.00 0.56 C ATOM 1011 CD1 TYR B 182 -15.686 -6.948 5.978 1.00 1.42 C ATOM 1012 CD2 TYR B 182 -14.687 -5.124 7.143 1.00 1.25 C ATOM 1013 CE1 TYR B 182 -16.245 -7.400 7.158 1.00 1.52 C ATOM 1014 CE2 TYR B 182 -15.241 -5.570 8.327 1.00 1.30 C ATOM 1015 CZ TYR B 182 -16.019 -6.709 8.329 1.00 0.84 C ATOM 1016 OH TYR B 182 -16.576 -7.157 9.506 1.00 0.99 O ATOM 0 H TYR B 182 -13.617 -4.320 2.508 1.00 0.31 H new ATOM 0 HA TYR B 182 -16.100 -5.132 3.498 1.00 0.40 H new ATOM 0 HB2 TYR B 182 -13.941 -6.167 4.081 1.00 0.44 H new ATOM 0 HB3 TYR B 182 -13.422 -4.698 4.882 1.00 0.44 H new ATOM 0 HD1 TYR B 182 -15.863 -7.494 5.063 1.00 1.42 H new ATOM 0 HD2 TYR B 182 -14.078 -4.232 7.145 1.00 1.25 H new ATOM 0 HE1 TYR B 182 -16.856 -8.290 7.163 1.00 1.52 H new ATOM 0 HE2 TYR B 182 -15.066 -5.030 9.246 1.00 1.30 H new ATOM 0 HH TYR B 182 -16.319 -6.558 10.238 1.00 0.99 H new ATOM 1026 N ILE B 183 -14.972 -2.325 4.831 1.00 0.44 N ATOM 1027 CA ILE B 183 -15.379 -1.150 5.593 1.00 0.55 C ATOM 1028 C ILE B 183 -16.554 -0.435 4.927 1.00 0.56 C ATOM 1029 O ILE B 183 -17.564 -0.153 5.572 1.00 0.67 O ATOM 1030 CB ILE B 183 -14.209 -0.161 5.768 1.00 0.60 C ATOM 1031 CG1 ILE B 183 -13.032 -0.855 6.459 1.00 0.63 C ATOM 1032 CG2 ILE B 183 -14.655 1.057 6.566 1.00 0.74 C ATOM 1033 CD1 ILE B 183 -11.861 0.065 6.729 1.00 1.10 C ATOM 0 H ILE B 183 -14.006 -2.304 4.505 1.00 0.44 H new ATOM 0 HA ILE B 183 -15.692 -1.503 6.576 1.00 0.55 H new ATOM 0 HB ILE B 183 -13.886 0.176 4.783 1.00 0.60 H new ATOM 0 HG12 ILE B 183 -13.375 -1.280 7.402 1.00 0.63 H new ATOM 0 HG13 ILE B 183 -12.695 -1.686 5.839 1.00 0.63 H new ATOM 0 HG21 ILE B 183 -13.817 1.744 6.680 1.00 0.74 H new ATOM 0 HG22 ILE B 183 -15.467 1.559 6.040 1.00 0.74 H new ATOM 0 HG23 ILE B 183 -15.001 0.741 7.550 1.00 0.74 H new ATOM 0 HD11 ILE B 183 -11.065 -0.494 7.220 1.00 1.10 H new ATOM 0 HD12 ILE B 183 -11.492 0.471 5.787 1.00 1.10 H new ATOM 0 HD13 ILE B 183 -12.182 0.882 7.375 1.00 1.10 H new ATOM 1045 N GLY B 184 -16.417 -0.142 3.636 1.00 0.49 N ATOM 1046 CA GLY B 184 -17.477 0.540 2.912 1.00 0.55 C ATOM 1047 C GLY B 184 -18.764 -0.262 2.857 1.00 0.61 C ATOM 1048 O GLY B 184 -19.834 0.243 3.194 1.00 0.72 O ATOM 0 H GLY B 184 -15.592 -0.364 3.079 1.00 0.49 H new ATOM 0 HA2 GLY B 184 -17.674 1.502 3.386 1.00 0.55 H new ATOM 0 HA3 GLY B 184 -17.141 0.748 1.896 1.00 0.55 H new ATOM 1052 N ARG B 185 -18.665 -1.512 2.419 1.00 0.58 N ATOM 1053 CA ARG B 185 -19.832 -2.385 2.322 1.00 0.70 C ATOM 1054 C ARG B 185 -20.457 -2.648 3.695 1.00 0.81 C ATOM 1055 O ARG B 185 -21.579 -3.145 3.786 1.00 0.96 O ATOM 1056 CB ARG B 185 -19.448 -3.707 1.656 1.00 0.71 C ATOM 1057 CG ARG B 185 -18.479 -4.542 2.470 1.00 0.66 C ATOM 1058 CD ARG B 185 -19.208 -5.535 3.357 1.00 0.80 C ATOM 1059 NE ARG B 185 -20.043 -6.447 2.581 1.00 1.20 N ATOM 1060 CZ ARG B 185 -20.945 -7.261 3.119 1.00 1.57 C ATOM 1061 NH1 ARG B 185 -21.129 -7.274 4.432 1.00 1.68 N ATOM 1062 NH2 ARG B 185 -21.663 -8.064 2.346 1.00 2.16 N ATOM 0 H ARG B 185 -17.789 -1.945 2.125 1.00 0.58 H new ATOM 0 HA ARG B 185 -20.577 -1.876 1.710 1.00 0.70 H new ATOM 0 HB2 ARG B 185 -20.352 -4.289 1.476 1.00 0.71 H new ATOM 0 HB3 ARG B 185 -19.004 -3.498 0.683 1.00 0.71 H new ATOM 0 HG2 ARG B 185 -17.806 -5.077 1.800 1.00 0.66 H new ATOM 0 HG3 ARG B 185 -17.862 -3.888 3.086 1.00 0.66 H new ATOM 0 HD2 ARG B 185 -18.482 -6.109 3.933 1.00 0.80 H new ATOM 0 HD3 ARG B 185 -19.828 -4.995 4.073 1.00 0.80 H new ATOM 0 HE ARG B 185 -19.927 -6.460 1.568 1.00 1.20 H new ATOM 0 HH11 ARG B 185 -20.578 -6.659 5.030 1.00 1.68 H new ATOM 0 HH12 ARG B 185 -21.822 -7.899 4.844 1.00 1.68 H new ATOM 0 HH21 ARG B 185 -21.524 -8.058 1.336 1.00 2.16 H new ATOM 0 HH22 ARG B 185 -22.355 -8.688 2.762 1.00 2.16 H new