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 : no HE2:sc= -2.33! C(o=-1.1!,f=-6!) USER MOD Set 1.2: B 172 SER OG : rot 69:sc= 1.24 USER MOD Set 2.1: A 172 SER OG : rot 72:sc= 1.17 USER MOD Set 2.2: B 173 HIS : no HE2:sc= -3.47! C(o=-2.3!,f=-6.9!) USER MOD Single : A 168 SER OG : rot 180:sc=-0.00217 USER MOD Single : A 182 TYR OH : rot 180:sc= 0 USER MOD Single : B 168 SER OG : rot 180:sc= -0.0117 USER MOD Single : B 182 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 208 N PRO A 167 6.837 8.455 0.503 1.00 0.73 N ATOM 209 CA PRO A 167 5.490 9.014 0.375 1.00 0.67 C ATOM 210 C PRO A 167 4.593 8.175 -0.529 1.00 0.55 C ATOM 211 O PRO A 167 3.368 8.209 -0.408 1.00 0.58 O ATOM 212 CB PRO A 167 5.739 10.389 -0.238 1.00 0.86 C ATOM 213 CG PRO A 167 6.984 10.223 -1.036 1.00 0.98 C ATOM 214 CD PRO A 167 7.820 9.198 -0.314 1.00 0.91 C ATOM 0 HA PRO A 167 4.968 9.047 1.331 1.00 0.67 H new ATOM 0 HB2 PRO A 167 4.904 10.700 -0.866 1.00 0.86 H new ATOM 0 HB3 PRO A 167 5.860 11.151 0.532 1.00 0.86 H new ATOM 0 HG2 PRO A 167 6.755 9.893 -2.049 1.00 0.98 H new ATOM 0 HG3 PRO A 167 7.519 11.169 -1.122 1.00 0.98 H new ATOM 0 HD2 PRO A 167 8.339 8.541 -1.012 1.00 0.91 H new ATOM 0 HD3 PRO A 167 8.582 9.669 0.307 1.00 0.91 H new ATOM 222 N SER A 168 5.209 7.423 -1.435 1.00 0.55 N ATOM 223 CA SER A 168 4.462 6.575 -2.356 1.00 0.52 C ATOM 224 C SER A 168 3.739 5.461 -1.606 1.00 0.39 C ATOM 225 O SER A 168 2.583 5.153 -1.896 1.00 0.33 O ATOM 226 CB SER A 168 5.398 5.973 -3.405 1.00 0.66 C ATOM 227 OG SER A 168 6.406 5.186 -2.795 1.00 1.47 O ATOM 0 H SER A 168 6.222 7.384 -1.551 1.00 0.55 H new ATOM 0 HA SER A 168 3.718 7.195 -2.856 1.00 0.52 H new ATOM 0 HB2 SER A 168 4.824 5.360 -4.100 1.00 0.66 H new ATOM 0 HB3 SER A 168 5.858 6.771 -3.988 1.00 0.66 H new ATOM 0 HG SER A 168 6.991 4.811 -3.486 1.00 1.47 H new ATOM 233 N LEU A 169 4.428 4.860 -0.641 1.00 0.40 N ATOM 234 CA LEU A 169 3.849 3.779 0.150 1.00 0.36 C ATOM 235 C LEU A 169 2.613 4.259 0.902 1.00 0.28 C ATOM 236 O LEU A 169 1.558 3.623 0.851 1.00 0.26 O ATOM 237 CB LEU A 169 4.881 3.228 1.136 1.00 0.47 C ATOM 238 CG LEU A 169 6.113 2.589 0.491 1.00 0.59 C ATOM 239 CD1 LEU A 169 7.040 2.022 1.555 1.00 0.73 C ATOM 240 CD2 LEU A 169 5.695 1.504 -0.489 1.00 0.62 C ATOM 0 H LEU A 169 5.386 5.102 -0.388 1.00 0.40 H new ATOM 0 HA LEU A 169 3.551 2.983 -0.532 1.00 0.36 H new ATOM 0 HB2 LEU A 169 5.209 4.039 1.787 1.00 0.47 H new ATOM 0 HB3 LEU A 169 4.396 2.487 1.771 1.00 0.47 H new ATOM 0 HG LEU A 169 6.655 3.359 -0.058 1.00 0.59 H new ATOM 0 HD11 LEU A 169 7.910 1.572 1.077 1.00 0.73 H new ATOM 0 HD12 LEU A 169 7.365 2.823 2.219 1.00 0.73 H new ATOM 0 HD13 LEU A 169 6.511 1.264 2.132 1.00 0.73 H new ATOM 0 HD21 LEU A 169 6.582 1.059 -0.939 1.00 0.62 H new ATOM 0 HD22 LEU A 169 5.131 0.735 0.039 1.00 0.62 H new ATOM 0 HD23 LEU A 169 5.071 1.939 -1.270 1.00 0.62 H new ATOM 252 N LEU A 170 2.747 5.382 1.598 1.00 0.31 N ATOM 253 CA LEU A 170 1.635 5.946 2.356 1.00 0.33 C ATOM 254 C LEU A 170 0.418 6.154 1.458 1.00 0.26 C ATOM 255 O LEU A 170 -0.687 5.720 1.783 1.00 0.27 O ATOM 256 CB LEU A 170 2.045 7.274 2.994 1.00 0.42 C ATOM 257 CG LEU A 170 3.187 7.181 4.007 1.00 0.52 C ATOM 258 CD1 LEU A 170 3.532 8.560 4.549 1.00 0.63 C ATOM 259 CD2 LEU A 170 2.816 6.238 5.141 1.00 0.60 C ATOM 0 H LEU A 170 3.612 5.919 1.654 1.00 0.31 H new ATOM 0 HA LEU A 170 1.369 5.241 3.144 1.00 0.33 H new ATOM 0 HB2 LEU A 170 2.337 7.965 2.203 1.00 0.42 H new ATOM 0 HB3 LEU A 170 1.175 7.706 3.489 1.00 0.42 H new ATOM 0 HG LEU A 170 4.066 6.781 3.501 1.00 0.52 H new ATOM 0 HD11 LEU A 170 4.346 8.475 5.268 1.00 0.63 H new ATOM 0 HD12 LEU A 170 3.839 9.207 3.728 1.00 0.63 H new ATOM 0 HD13 LEU A 170 2.658 8.987 5.040 1.00 0.63 H new ATOM 0 HD21 LEU A 170 3.640 6.183 5.853 1.00 0.60 H new ATOM 0 HD22 LEU A 170 1.924 6.609 5.646 1.00 0.60 H new ATOM 0 HD23 LEU A 170 2.618 5.245 4.738 1.00 0.60 H new ATOM 271 N LEU A 171 0.632 6.819 0.328 1.00 0.23 N ATOM 272 CA LEU A 171 -0.447 7.086 -0.618 1.00 0.22 C ATOM 273 C LEU A 171 -1.090 5.788 -1.096 1.00 0.18 C ATOM 274 O LEU A 171 -2.311 5.700 -1.219 1.00 0.21 O ATOM 275 CB LEU A 171 0.077 7.884 -1.815 1.00 0.26 C ATOM 276 CG LEU A 171 0.526 9.310 -1.497 1.00 0.33 C ATOM 277 CD1 LEU A 171 1.050 9.997 -2.749 1.00 0.39 C ATOM 278 CD2 LEU A 171 -0.621 10.107 -0.892 1.00 0.40 C ATOM 0 H LEU A 171 1.542 7.183 0.044 1.00 0.23 H new ATOM 0 HA LEU A 171 -1.206 7.676 -0.104 1.00 0.22 H new ATOM 0 HB2 LEU A 171 0.917 7.344 -2.252 1.00 0.26 H new ATOM 0 HB3 LEU A 171 -0.704 7.926 -2.574 1.00 0.26 H new ATOM 0 HG LEU A 171 1.335 9.261 -0.768 1.00 0.33 H new ATOM 0 HD11 LEU A 171 1.365 11.011 -2.503 1.00 0.39 H new ATOM 0 HD12 LEU A 171 1.900 9.439 -3.142 1.00 0.39 H new ATOM 0 HD13 LEU A 171 0.261 10.034 -3.501 1.00 0.39 H new ATOM 0 HD21 LEU A 171 -0.284 11.120 -0.672 1.00 0.40 H new ATOM 0 HD22 LEU A 171 -1.450 10.146 -1.599 1.00 0.40 H new ATOM 0 HD23 LEU A 171 -0.952 9.627 0.029 1.00 0.40 H new ATOM 290 N SER A 172 -0.265 4.782 -1.367 1.00 0.16 N ATOM 291 CA SER A 172 -0.764 3.494 -1.834 1.00 0.16 C ATOM 292 C SER A 172 -1.784 2.914 -0.859 1.00 0.15 C ATOM 293 O SER A 172 -2.895 2.557 -1.249 1.00 0.19 O ATOM 294 CB SER A 172 0.396 2.513 -2.016 1.00 0.19 C ATOM 295 OG SER A 172 1.295 2.963 -3.015 1.00 0.23 O ATOM 0 H SER A 172 0.749 4.833 -1.272 1.00 0.16 H new ATOM 0 HA SER A 172 -1.257 3.652 -2.793 1.00 0.16 H new ATOM 0 HB2 SER A 172 0.927 2.394 -1.072 1.00 0.19 H new ATOM 0 HB3 SER A 172 0.007 1.532 -2.288 1.00 0.19 H new ATOM 0 HG SER A 172 1.799 3.734 -2.679 1.00 0.23 H new ATOM 301 N HIS A 173 -1.400 2.825 0.410 1.00 0.13 N ATOM 302 CA HIS A 173 -2.283 2.290 1.441 1.00 0.17 C ATOM 303 C HIS A 173 -3.526 3.161 1.599 1.00 0.22 C ATOM 304 O HIS A 173 -4.650 2.668 1.544 1.00 0.27 O ATOM 305 CB HIS A 173 -1.539 2.190 2.774 1.00 0.20 C ATOM 306 CG HIS A 173 -0.333 1.301 2.722 1.00 0.20 C ATOM 307 ND1 HIS A 173 0.953 1.782 2.586 1.00 0.25 N ATOM 308 CD2 HIS A 173 -0.222 -0.048 2.791 1.00 0.25 C ATOM 309 CE1 HIS A 173 1.801 0.768 2.574 1.00 0.29 C ATOM 310 NE2 HIS A 173 1.114 -0.352 2.697 1.00 0.27 N ATOM 0 H HIS A 173 -0.483 3.116 0.750 1.00 0.13 H new ATOM 0 HA HIS A 173 -2.600 1.293 1.134 1.00 0.17 H new ATOM 0 HB2 HIS A 173 -1.231 3.188 3.085 1.00 0.20 H new ATOM 0 HB3 HIS A 173 -2.223 1.816 3.536 1.00 0.20 H new ATOM 0 HD1 HIS A 173 1.209 2.766 2.507 1.00 0.25 H new ATOM 0 HD2 HIS A 173 -1.033 -0.753 2.900 1.00 0.25 H new ATOM 0 HE1 HIS A 173 2.874 0.843 2.480 1.00 0.29 H new ATOM 319 N LEU A 174 -3.314 4.458 1.793 1.00 0.23 N ATOM 320 CA LEU A 174 -4.419 5.396 1.960 1.00 0.29 C ATOM 321 C LEU A 174 -5.344 5.366 0.748 1.00 0.29 C ATOM 322 O LEU A 174 -6.558 5.206 0.882 1.00 0.34 O ATOM 323 CB LEU A 174 -3.885 6.812 2.175 1.00 0.32 C ATOM 324 CG LEU A 174 -2.992 6.988 3.404 1.00 0.36 C ATOM 325 CD1 LEU A 174 -2.500 8.423 3.506 1.00 0.41 C ATOM 326 CD2 LEU A 174 -3.743 6.590 4.665 1.00 0.47 C ATOM 0 H LEU A 174 -2.388 4.884 1.839 1.00 0.23 H new ATOM 0 HA LEU A 174 -4.990 5.095 2.838 1.00 0.29 H new ATOM 0 HB2 LEU A 174 -3.322 7.110 1.290 1.00 0.32 H new ATOM 0 HB3 LEU A 174 -4.731 7.494 2.259 1.00 0.32 H new ATOM 0 HG LEU A 174 -2.125 6.336 3.297 1.00 0.36 H new ATOM 0 HD11 LEU A 174 -1.866 8.529 4.387 1.00 0.41 H new ATOM 0 HD12 LEU A 174 -1.927 8.675 2.614 1.00 0.41 H new ATOM 0 HD13 LEU A 174 -3.354 9.095 3.591 1.00 0.41 H new ATOM 0 HD21 LEU A 174 -3.094 6.721 5.531 1.00 0.47 H new ATOM 0 HD22 LEU A 174 -4.627 7.218 4.776 1.00 0.47 H new ATOM 0 HD23 LEU A 174 -4.047 5.546 4.593 1.00 0.47 H new ATOM 338 N LEU A 175 -4.760 5.524 -0.434 1.00 0.26 N ATOM 339 CA LEU A 175 -5.526 5.515 -1.676 1.00 0.28 C ATOM 340 C LEU A 175 -6.209 4.168 -1.885 1.00 0.27 C ATOM 341 O LEU A 175 -7.386 4.108 -2.243 1.00 0.29 O ATOM 342 CB LEU A 175 -4.614 5.830 -2.863 1.00 0.30 C ATOM 343 CG LEU A 175 -4.031 7.245 -2.872 1.00 0.33 C ATOM 344 CD1 LEU A 175 -3.087 7.426 -4.050 1.00 0.37 C ATOM 345 CD2 LEU A 175 -5.147 8.279 -2.915 1.00 0.41 C ATOM 0 H LEU A 175 -3.757 5.660 -0.559 1.00 0.26 H new ATOM 0 HA LEU A 175 -6.296 6.283 -1.605 1.00 0.28 H new ATOM 0 HB2 LEU A 175 -3.792 5.114 -2.870 1.00 0.30 H new ATOM 0 HB3 LEU A 175 -5.176 5.679 -3.784 1.00 0.30 H new ATOM 0 HG LEU A 175 -3.463 7.390 -1.953 1.00 0.33 H new ATOM 0 HD11 LEU A 175 -2.682 8.438 -4.040 1.00 0.37 H new ATOM 0 HD12 LEU A 175 -2.270 6.708 -3.976 1.00 0.37 H new ATOM 0 HD13 LEU A 175 -3.631 7.262 -4.980 1.00 0.37 H new ATOM 0 HD21 LEU A 175 -4.716 9.280 -2.921 1.00 0.41 H new ATOM 0 HD22 LEU A 175 -5.742 8.135 -3.817 1.00 0.41 H new ATOM 0 HD23 LEU A 175 -5.784 8.164 -2.038 1.00 0.41 H new ATOM 357 N ALA A 176 -5.467 3.089 -1.657 1.00 0.26 N ATOM 358 CA ALA A 176 -6.006 1.744 -1.821 1.00 0.27 C ATOM 359 C ALA A 176 -7.307 1.583 -1.043 1.00 0.26 C ATOM 360 O ALA A 176 -8.326 1.160 -1.594 1.00 0.27 O ATOM 361 CB ALA A 176 -4.984 0.709 -1.380 1.00 0.27 C ATOM 0 H ALA A 176 -4.492 3.120 -1.359 1.00 0.26 H new ATOM 0 HA ALA A 176 -6.224 1.587 -2.877 1.00 0.27 H new ATOM 0 HB1 ALA A 176 -5.400 -0.290 -1.508 1.00 0.27 H new ATOM 0 HB2 ALA A 176 -4.083 0.807 -1.985 1.00 0.27 H new ATOM 0 HB3 ALA A 176 -4.736 0.867 -0.330 1.00 0.27 H new ATOM 367 N ILE A 177 -7.270 1.923 0.244 1.00 0.27 N ATOM 368 CA ILE A 177 -8.455 1.823 1.086 1.00 0.28 C ATOM 369 C ILE A 177 -9.588 2.653 0.497 1.00 0.26 C ATOM 370 O ILE A 177 -10.740 2.219 0.464 1.00 0.26 O ATOM 371 CB ILE A 177 -8.167 2.292 2.527 1.00 0.31 C ATOM 372 CG1 ILE A 177 -7.072 1.430 3.155 1.00 0.36 C ATOM 373 CG2 ILE A 177 -9.434 2.240 3.371 1.00 0.33 C ATOM 374 CD1 ILE A 177 -6.704 1.851 4.559 1.00 0.62 C ATOM 0 H ILE A 177 -6.437 2.268 0.722 1.00 0.27 H new ATOM 0 HA ILE A 177 -8.748 0.774 1.121 1.00 0.28 H new ATOM 0 HB ILE A 177 -7.821 3.325 2.492 1.00 0.31 H new ATOM 0 HG12 ILE A 177 -7.402 0.391 3.171 1.00 0.36 H new ATOM 0 HG13 ILE A 177 -6.182 1.472 2.527 1.00 0.36 H new ATOM 0 HG21 ILE A 177 -9.210 2.574 4.384 1.00 0.33 H new ATOM 0 HG22 ILE A 177 -10.190 2.891 2.933 1.00 0.33 H new ATOM 0 HG23 ILE A 177 -9.809 1.217 3.401 1.00 0.33 H new ATOM 0 HD11 ILE A 177 -5.922 1.196 4.942 1.00 0.62 H new ATOM 0 HD12 ILE A 177 -6.343 2.879 4.548 1.00 0.62 H new ATOM 0 HD13 ILE A 177 -7.582 1.782 5.201 1.00 0.62 H new ATOM 386 N GLY A 178 -9.250 3.851 0.033 1.00 0.26 N ATOM 387 CA GLY A 178 -10.241 4.721 -0.564 1.00 0.27 C ATOM 388 C GLY A 178 -10.954 4.050 -1.719 1.00 0.26 C ATOM 389 O GLY A 178 -12.169 4.180 -1.869 1.00 0.28 O ATOM 0 H GLY A 178 -8.305 4.234 0.061 1.00 0.26 H new ATOM 0 HA2 GLY A 178 -10.969 5.015 0.192 1.00 0.27 H new ATOM 0 HA3 GLY A 178 -9.760 5.634 -0.915 1.00 0.27 H new ATOM 393 N LEU A 179 -10.193 3.331 -2.541 1.00 0.25 N ATOM 394 CA LEU A 179 -10.757 2.629 -3.684 1.00 0.27 C ATOM 395 C LEU A 179 -11.805 1.625 -3.220 1.00 0.26 C ATOM 396 O LEU A 179 -12.916 1.580 -3.748 1.00 0.28 O ATOM 397 CB LEU A 179 -9.657 1.907 -4.465 1.00 0.33 C ATOM 398 CG LEU A 179 -8.540 2.806 -4.995 1.00 0.36 C ATOM 399 CD1 LEU A 179 -7.543 1.992 -5.806 1.00 0.43 C ATOM 400 CD2 LEU A 179 -9.117 3.937 -5.832 1.00 0.43 C ATOM 0 H LEU A 179 -9.185 3.221 -2.434 1.00 0.25 H new ATOM 0 HA LEU A 179 -11.230 3.361 -4.339 1.00 0.27 H new ATOM 0 HB2 LEU A 179 -9.215 1.147 -3.821 1.00 0.33 H new ATOM 0 HB3 LEU A 179 -10.113 1.386 -5.307 1.00 0.33 H new ATOM 0 HG LEU A 179 -8.016 3.244 -4.145 1.00 0.36 H new ATOM 0 HD11 LEU A 179 -6.754 2.647 -6.176 1.00 0.43 H new ATOM 0 HD12 LEU A 179 -7.106 1.218 -5.175 1.00 0.43 H new ATOM 0 HD13 LEU A 179 -8.054 1.527 -6.649 1.00 0.43 H new ATOM 0 HD21 LEU A 179 -8.307 4.567 -6.201 1.00 0.43 H new ATOM 0 HD22 LEU A 179 -9.666 3.521 -6.676 1.00 0.43 H new ATOM 0 HD23 LEU A 179 -9.792 4.535 -5.220 1.00 0.43 H new ATOM 412 N GLY A 180 -11.440 0.818 -2.229 1.00 0.25 N ATOM 413 CA GLY A 180 -12.361 -0.171 -1.703 1.00 0.27 C ATOM 414 C GLY A 180 -13.680 0.446 -1.282 1.00 0.26 C ATOM 415 O GLY A 180 -14.748 -0.062 -1.625 1.00 0.29 O ATOM 0 H GLY A 180 -10.524 0.832 -1.782 1.00 0.25 H new ATOM 0 HA2 GLY A 180 -12.543 -0.935 -2.459 1.00 0.27 H new ATOM 0 HA3 GLY A 180 -11.906 -0.671 -0.848 1.00 0.27 H new ATOM 419 N ILE A 181 -13.605 1.544 -0.538 1.00 0.28 N ATOM 420 CA ILE A 181 -14.801 2.236 -0.072 1.00 0.34 C ATOM 421 C ILE A 181 -15.697 2.621 -1.245 1.00 0.32 C ATOM 422 O ILE A 181 -16.909 2.409 -1.209 1.00 0.36 O ATOM 423 CB ILE A 181 -14.440 3.507 0.724 1.00 0.42 C ATOM 424 CG1 ILE A 181 -13.538 3.158 1.909 1.00 0.49 C ATOM 425 CG2 ILE A 181 -15.701 4.209 1.203 1.00 0.49 C ATOM 426 CD1 ILE A 181 -14.232 2.336 2.974 1.00 0.89 C ATOM 0 H ILE A 181 -12.728 1.974 -0.245 1.00 0.28 H new ATOM 0 HA ILE A 181 -15.335 1.548 0.583 1.00 0.34 H new ATOM 0 HB ILE A 181 -13.896 4.185 0.066 1.00 0.42 H new ATOM 0 HG12 ILE A 181 -12.670 2.608 1.545 1.00 0.49 H new ATOM 0 HG13 ILE A 181 -13.167 4.080 2.357 1.00 0.49 H new ATOM 0 HG21 ILE A 181 -15.429 5.104 1.763 1.00 0.49 H new ATOM 0 HG22 ILE A 181 -16.310 4.490 0.344 1.00 0.49 H new ATOM 0 HG23 ILE A 181 -16.269 3.537 1.846 1.00 0.49 H new ATOM 0 HD11 ILE A 181 -13.533 2.125 3.784 1.00 0.89 H new ATOM 0 HD12 ILE A 181 -15.084 2.892 3.365 1.00 0.89 H new ATOM 0 HD13 ILE A 181 -14.579 1.398 2.541 1.00 0.89 H new ATOM 438 N TYR A 182 -15.091 3.188 -2.284 1.00 0.31 N ATOM 439 CA TYR A 182 -15.831 3.603 -3.471 1.00 0.35 C ATOM 440 C TYR A 182 -16.580 2.426 -4.087 1.00 0.36 C ATOM 441 O TYR A 182 -17.770 2.519 -4.383 1.00 0.42 O ATOM 442 CB TYR A 182 -14.878 4.215 -4.501 1.00 0.39 C ATOM 443 CG TYR A 182 -15.553 4.614 -5.794 1.00 0.51 C ATOM 444 CD1 TYR A 182 -16.368 5.738 -5.858 1.00 1.19 C ATOM 445 CD2 TYR A 182 -15.371 3.869 -6.953 1.00 1.43 C ATOM 446 CE1 TYR A 182 -16.985 6.106 -7.038 1.00 1.21 C ATOM 447 CE2 TYR A 182 -15.984 4.232 -8.137 1.00 1.56 C ATOM 448 CZ TYR A 182 -16.790 5.349 -8.175 1.00 0.81 C ATOM 449 OH TYR A 182 -17.402 5.713 -9.352 1.00 0.98 O ATOM 0 H TYR A 182 -14.088 3.371 -2.328 1.00 0.31 H new ATOM 0 HA TYR A 182 -16.561 4.354 -3.170 1.00 0.35 H new ATOM 0 HB2 TYR A 182 -14.401 5.093 -4.065 1.00 0.39 H new ATOM 0 HB3 TYR A 182 -14.087 3.499 -4.721 1.00 0.39 H new ATOM 0 HD1 TYR A 182 -16.522 6.334 -4.970 1.00 1.19 H new ATOM 0 HD2 TYR A 182 -14.741 2.993 -6.928 1.00 1.43 H new ATOM 0 HE1 TYR A 182 -17.617 6.981 -7.070 1.00 1.21 H new ATOM 0 HE2 TYR A 182 -15.832 3.643 -9.029 1.00 1.56 H new ATOM 0 HH TYR A 182 -17.161 5.076 -10.057 1.00 0.98 H new ATOM 459 N ILE A 183 -15.874 1.320 -4.284 1.00 0.35 N ATOM 460 CA ILE A 183 -16.471 0.125 -4.865 1.00 0.43 C ATOM 461 C ILE A 183 -17.583 -0.429 -3.977 1.00 0.45 C ATOM 462 O ILE A 183 -18.650 -0.806 -4.462 1.00 0.55 O ATOM 463 CB ILE A 183 -15.416 -0.976 -5.085 1.00 0.48 C ATOM 464 CG1 ILE A 183 -14.272 -0.448 -5.953 1.00 0.54 C ATOM 465 CG2 ILE A 183 -16.053 -2.201 -5.724 1.00 0.56 C ATOM 466 CD1 ILE A 183 -13.186 -1.470 -6.210 1.00 0.83 C ATOM 0 H ILE A 183 -14.886 1.226 -4.049 1.00 0.35 H new ATOM 0 HA ILE A 183 -16.892 0.420 -5.826 1.00 0.43 H new ATOM 0 HB ILE A 183 -15.008 -1.268 -4.117 1.00 0.48 H new ATOM 0 HG12 ILE A 183 -14.677 -0.112 -6.908 1.00 0.54 H new ATOM 0 HG13 ILE A 183 -13.832 0.424 -5.469 1.00 0.54 H new ATOM 0 HG21 ILE A 183 -15.295 -2.970 -5.873 1.00 0.56 H new ATOM 0 HG22 ILE A 183 -16.837 -2.586 -5.071 1.00 0.56 H new ATOM 0 HG23 ILE A 183 -16.485 -1.926 -6.686 1.00 0.56 H new ATOM 0 HD11 ILE A 183 -12.408 -1.026 -6.832 1.00 0.83 H new ATOM 0 HD12 ILE A 183 -12.754 -1.789 -5.261 1.00 0.83 H new ATOM 0 HD13 ILE A 183 -13.612 -2.333 -6.723 1.00 0.83 H new ATOM 478 N GLY A 184 -17.323 -0.474 -2.674 1.00 0.40 N ATOM 479 CA GLY A 184 -18.299 -0.996 -1.733 1.00 0.46 C ATOM 480 C GLY A 184 -19.590 -0.197 -1.695 1.00 0.52 C ATOM 481 O GLY A 184 -20.676 -0.759 -1.826 1.00 0.64 O ATOM 0 H GLY A 184 -16.450 -0.157 -2.251 1.00 0.40 H new ATOM 0 HA2 GLY A 184 -18.528 -2.029 -1.994 1.00 0.46 H new ATOM 0 HA3 GLY A 184 -17.860 -1.009 -0.736 1.00 0.46 H new ATOM 485 N ARG A 185 -19.477 1.115 -1.512 1.00 0.48 N ATOM 486 CA ARG A 185 -20.655 1.974 -1.446 1.00 0.59 C ATOM 487 C ARG A 185 -21.453 1.926 -2.747 1.00 0.67 C ATOM 488 O ARG A 185 -22.639 2.256 -2.769 1.00 0.83 O ATOM 489 CB ARG A 185 -20.249 3.415 -1.124 1.00 0.59 C ATOM 490 CG ARG A 185 -19.318 4.036 -2.150 1.00 0.51 C ATOM 491 CD ARG A 185 -20.087 4.729 -3.263 1.00 0.85 C ATOM 492 NE ARG A 185 -20.934 5.804 -2.753 1.00 1.32 N ATOM 493 CZ ARG A 185 -21.605 6.648 -3.531 1.00 1.98 C ATOM 494 NH1 ARG A 185 -21.529 6.541 -4.850 1.00 2.27 N ATOM 495 NH2 ARG A 185 -22.353 7.601 -2.988 1.00 2.54 N ATOM 0 H ARG A 185 -18.588 1.604 -1.407 1.00 0.48 H new ATOM 0 HA ARG A 185 -21.295 1.600 -0.646 1.00 0.59 H new ATOM 0 HB2 ARG A 185 -21.148 4.027 -1.046 1.00 0.59 H new ATOM 0 HB3 ARG A 185 -19.764 3.436 -0.148 1.00 0.59 H new ATOM 0 HG2 ARG A 185 -18.663 4.755 -1.658 1.00 0.51 H new ATOM 0 HG3 ARG A 185 -18.679 3.263 -2.576 1.00 0.51 H new ATOM 0 HD2 ARG A 185 -19.385 5.135 -3.991 1.00 0.85 H new ATOM 0 HD3 ARG A 185 -20.704 3.999 -3.787 1.00 0.85 H new ATOM 0 HE ARG A 185 -21.015 5.914 -1.742 1.00 1.32 H new ATOM 0 HH11 ARG A 185 -20.955 5.810 -5.270 1.00 2.27 H new ATOM 0 HH12 ARG A 185 -22.045 7.190 -5.445 1.00 2.27 H new ATOM 0 HH21 ARG A 185 -22.413 7.686 -1.973 1.00 2.54 H new ATOM 0 HH22 ARG A 185 -22.867 8.248 -3.585 1.00 2.54 H new ATOM 509 N ARG A 186 -20.801 1.513 -3.830 1.00 0.63 N ATOM 510 CA ARG A 186 -21.464 1.422 -5.127 1.00 0.74 C ATOM 511 C ARG A 186 -22.409 0.219 -5.196 1.00 0.85 C ATOM 512 O ARG A 186 -23.129 0.047 -6.178 1.00 1.06 O ATOM 513 CB ARG A 186 -20.429 1.340 -6.250 1.00 0.80 C ATOM 514 CG ARG A 186 -19.807 2.682 -6.603 1.00 1.24 C ATOM 515 CD ARG A 186 -20.838 3.637 -7.183 1.00 1.58 C ATOM 516 NE ARG A 186 -20.265 4.944 -7.492 1.00 2.38 N ATOM 517 CZ ARG A 186 -20.906 5.880 -8.184 1.00 2.95 C ATOM 518 NH1 ARG A 186 -22.126 5.644 -8.649 1.00 2.93 N ATOM 519 NH2 ARG A 186 -20.329 7.051 -8.414 1.00 3.95 N ATOM 0 H ARG A 186 -19.819 1.237 -3.836 1.00 0.63 H new ATOM 0 HA ARG A 186 -22.061 2.325 -5.254 1.00 0.74 H new ATOM 0 HB2 ARG A 186 -19.639 0.649 -5.955 1.00 0.80 H new ATOM 0 HB3 ARG A 186 -20.902 0.923 -7.139 1.00 0.80 H new ATOM 0 HG2 ARG A 186 -19.361 3.123 -5.712 1.00 1.24 H new ATOM 0 HG3 ARG A 186 -19.002 2.533 -7.322 1.00 1.24 H new ATOM 0 HD2 ARG A 186 -21.262 3.205 -8.089 1.00 1.58 H new ATOM 0 HD3 ARG A 186 -21.657 3.759 -6.474 1.00 1.58 H new ATOM 0 HE ARG A 186 -19.323 5.149 -7.159 1.00 2.38 H new ATOM 0 HH11 ARG A 186 -22.573 4.744 -8.475 1.00 2.93 H new ATOM 0 HH12 ARG A 186 -22.617 6.363 -9.180 1.00 2.93 H new ATOM 0 HH21 ARG A 186 -19.391 7.236 -8.060 1.00 3.95 H new ATOM 0 HH22 ARG A 186 -20.823 7.768 -8.946 1.00 3.95 H new ATOM 775 N PRO B 167 6.759 -8.829 -2.101 1.00 0.73 N ATOM 776 CA PRO B 167 5.343 -9.197 -2.075 1.00 0.63 C ATOM 777 C PRO B 167 4.528 -8.304 -1.146 1.00 0.56 C ATOM 778 O PRO B 167 3.328 -8.114 -1.347 1.00 0.69 O ATOM 779 CB PRO B 167 5.372 -10.630 -1.551 1.00 0.87 C ATOM 780 CG PRO B 167 6.563 -10.675 -0.655 1.00 1.07 C ATOM 781 CD PRO B 167 7.567 -9.705 -1.226 1.00 0.96 C ATOM 0 HA PRO B 167 4.871 -9.091 -3.052 1.00 0.63 H new ATOM 0 HB2 PRO B 167 4.458 -10.873 -1.009 1.00 0.87 H new ATOM 0 HB3 PRO B 167 5.460 -11.349 -2.366 1.00 0.87 H new ATOM 0 HG2 PRO B 167 6.292 -10.398 0.364 1.00 1.07 H new ATOM 0 HG3 PRO B 167 6.978 -11.682 -0.612 1.00 1.07 H new ATOM 0 HD2 PRO B 167 8.064 -9.136 -0.440 1.00 0.96 H new ATOM 0 HD3 PRO B 167 8.346 -10.221 -1.787 1.00 0.96 H new ATOM 789 N SER B 168 5.186 -7.759 -0.129 1.00 0.55 N ATOM 790 CA SER B 168 4.520 -6.885 0.830 1.00 0.55 C ATOM 791 C SER B 168 3.814 -5.737 0.119 1.00 0.44 C ATOM 792 O SER B 168 2.684 -5.384 0.457 1.00 0.41 O ATOM 793 CB SER B 168 5.531 -6.332 1.837 1.00 0.72 C ATOM 794 OG SER B 168 6.507 -5.531 1.194 1.00 1.59 O ATOM 0 H SER B 168 6.179 -7.907 0.053 1.00 0.55 H new ATOM 0 HA SER B 168 3.773 -7.474 1.362 1.00 0.55 H new ATOM 0 HB2 SER B 168 5.011 -5.741 2.591 1.00 0.72 H new ATOM 0 HB3 SER B 168 6.018 -7.156 2.357 1.00 0.72 H new ATOM 0 HG SER B 168 7.140 -5.189 1.860 1.00 1.59 H new ATOM 800 N LEU B 169 4.488 -5.156 -0.869 1.00 0.46 N ATOM 801 CA LEU B 169 3.922 -4.050 -1.630 1.00 0.45 C ATOM 802 C LEU B 169 2.616 -4.469 -2.297 1.00 0.33 C ATOM 803 O LEU B 169 1.600 -3.781 -2.189 1.00 0.31 O ATOM 804 CB LEU B 169 4.917 -3.566 -2.687 1.00 0.60 C ATOM 805 CG LEU B 169 6.270 -3.105 -2.141 1.00 0.77 C ATOM 806 CD1 LEU B 169 7.172 -2.641 -3.274 1.00 1.09 C ATOM 807 CD2 LEU B 169 6.079 -1.995 -1.118 1.00 0.77 C ATOM 0 H LEU B 169 5.425 -5.433 -1.160 1.00 0.46 H new ATOM 0 HA LEU B 169 3.714 -3.232 -0.940 1.00 0.45 H new ATOM 0 HB2 LEU B 169 5.086 -4.372 -3.401 1.00 0.60 H new ATOM 0 HB3 LEU B 169 4.465 -2.742 -3.239 1.00 0.60 H new ATOM 0 HG LEU B 169 6.750 -3.950 -1.646 1.00 0.77 H new ATOM 0 HD11 LEU B 169 8.130 -2.317 -2.867 1.00 1.09 H new ATOM 0 HD12 LEU B 169 7.333 -3.464 -3.971 1.00 1.09 H new ATOM 0 HD13 LEU B 169 6.700 -1.810 -3.798 1.00 1.09 H new ATOM 0 HD21 LEU B 169 7.051 -1.678 -0.739 1.00 0.77 H new ATOM 0 HD22 LEU B 169 5.579 -1.148 -1.589 1.00 0.77 H new ATOM 0 HD23 LEU B 169 5.470 -2.362 -0.292 1.00 0.77 H new ATOM 819 N LEU B 170 2.650 -5.608 -2.984 1.00 0.34 N ATOM 820 CA LEU B 170 1.467 -6.120 -3.665 1.00 0.36 C ATOM 821 C LEU B 170 0.357 -6.421 -2.665 1.00 0.28 C ATOM 822 O LEU B 170 -0.795 -6.037 -2.868 1.00 0.32 O ATOM 823 CB LEU B 170 1.809 -7.383 -4.462 1.00 0.47 C ATOM 824 CG LEU B 170 2.651 -7.159 -5.723 1.00 0.59 C ATOM 825 CD1 LEU B 170 3.997 -6.545 -5.372 1.00 0.60 C ATOM 826 CD2 LEU B 170 2.842 -8.469 -6.474 1.00 0.72 C ATOM 0 H LEU B 170 3.481 -6.191 -3.083 1.00 0.34 H new ATOM 0 HA LEU B 170 1.116 -5.353 -4.355 1.00 0.36 H new ATOM 0 HB2 LEU B 170 2.343 -8.071 -3.807 1.00 0.47 H new ATOM 0 HB3 LEU B 170 0.879 -7.873 -4.749 1.00 0.47 H new ATOM 0 HG LEU B 170 2.118 -6.462 -6.370 1.00 0.59 H new ATOM 0 HD11 LEU B 170 4.577 -6.395 -6.283 1.00 0.60 H new ATOM 0 HD12 LEU B 170 3.842 -5.585 -4.879 1.00 0.60 H new ATOM 0 HD13 LEU B 170 4.538 -7.214 -4.703 1.00 0.60 H new ATOM 0 HD21 LEU B 170 3.442 -8.292 -7.367 1.00 0.72 H new ATOM 0 HD22 LEU B 170 3.351 -9.186 -5.831 1.00 0.72 H new ATOM 0 HD23 LEU B 170 1.870 -8.868 -6.763 1.00 0.72 H new ATOM 838 N LEU B 171 0.712 -7.108 -1.584 1.00 0.24 N ATOM 839 CA LEU B 171 -0.253 -7.457 -0.548 1.00 0.26 C ATOM 840 C LEU B 171 -0.882 -6.204 0.051 1.00 0.23 C ATOM 841 O LEU B 171 -2.093 -6.148 0.266 1.00 0.29 O ATOM 842 CB LEU B 171 0.421 -8.281 0.550 1.00 0.32 C ATOM 843 CG LEU B 171 0.955 -9.641 0.100 1.00 0.38 C ATOM 844 CD1 LEU B 171 1.560 -10.392 1.275 1.00 0.47 C ATOM 845 CD2 LEU B 171 -0.153 -10.460 -0.545 1.00 0.50 C ATOM 0 H LEU B 171 1.661 -7.434 -1.403 1.00 0.24 H new ATOM 0 HA LEU B 171 -1.042 -8.054 -1.006 1.00 0.26 H new ATOM 0 HB2 LEU B 171 1.247 -7.702 0.963 1.00 0.32 H new ATOM 0 HB3 LEU B 171 -0.294 -8.437 1.357 1.00 0.32 H new ATOM 0 HG LEU B 171 1.738 -9.477 -0.641 1.00 0.38 H new ATOM 0 HD11 LEU B 171 1.935 -11.358 0.936 1.00 0.47 H new ATOM 0 HD12 LEU B 171 2.381 -9.811 1.694 1.00 0.47 H new ATOM 0 HD13 LEU B 171 0.798 -10.547 2.039 1.00 0.47 H new ATOM 0 HD21 LEU B 171 0.244 -11.425 -0.860 1.00 0.50 H new ATOM 0 HD22 LEU B 171 -0.957 -10.615 0.175 1.00 0.50 H new ATOM 0 HD23 LEU B 171 -0.541 -9.927 -1.413 1.00 0.50 H new ATOM 857 N SER B 172 -0.052 -5.200 0.321 1.00 0.18 N ATOM 858 CA SER B 172 -0.532 -3.948 0.891 1.00 0.19 C ATOM 859 C SER B 172 -1.651 -3.364 0.037 1.00 0.14 C ATOM 860 O SER B 172 -2.715 -3.012 0.547 1.00 0.18 O ATOM 861 CB SER B 172 0.613 -2.938 1.011 1.00 0.23 C ATOM 862 OG SER B 172 1.588 -3.374 1.943 1.00 0.31 O ATOM 0 H SER B 172 0.954 -5.230 0.154 1.00 0.18 H new ATOM 0 HA SER B 172 -0.923 -4.157 1.887 1.00 0.19 H new ATOM 0 HB2 SER B 172 1.078 -2.794 0.036 1.00 0.23 H new ATOM 0 HB3 SER B 172 0.217 -1.971 1.321 1.00 0.23 H new ATOM 0 HG SER B 172 2.062 -4.152 1.581 1.00 0.31 H new ATOM 868 N HIS B 173 -1.406 -3.268 -1.265 1.00 0.12 N ATOM 869 CA HIS B 173 -2.395 -2.727 -2.190 1.00 0.15 C ATOM 870 C HIS B 173 -3.655 -3.587 -2.205 1.00 0.20 C ATOM 871 O HIS B 173 -4.762 -3.083 -2.023 1.00 0.25 O ATOM 872 CB HIS B 173 -1.813 -2.638 -3.601 1.00 0.19 C ATOM 873 CG HIS B 173 -0.650 -1.703 -3.713 1.00 0.21 C ATOM 874 ND1 HIS B 173 0.652 -2.135 -3.866 1.00 0.26 N ATOM 875 CD2 HIS B 173 -0.597 -0.350 -3.698 1.00 0.25 C ATOM 876 CE1 HIS B 173 1.455 -1.087 -3.940 1.00 0.30 C ATOM 877 NE2 HIS B 173 0.722 0.006 -3.843 1.00 0.28 N ATOM 0 H HIS B 173 -0.532 -3.557 -1.704 1.00 0.12 H new ATOM 0 HA HIS B 173 -2.661 -1.726 -1.849 1.00 0.15 H new ATOM 0 HB2 HIS B 173 -1.500 -3.633 -3.919 1.00 0.19 H new ATOM 0 HB3 HIS B 173 -2.595 -2.315 -4.288 1.00 0.19 H new ATOM 0 HD1 HIS B 173 0.948 -3.110 -3.914 1.00 0.26 H new ATOM 0 HD2 HIS B 173 -1.435 0.323 -3.592 1.00 0.25 H new ATOM 0 HE1 HIS B 173 2.528 -1.120 -4.059 1.00 0.30 H new ATOM 886 N LEU B 174 -3.480 -4.886 -2.417 1.00 0.21 N ATOM 887 CA LEU B 174 -4.607 -5.811 -2.459 1.00 0.28 C ATOM 888 C LEU B 174 -5.393 -5.778 -1.152 1.00 0.28 C ATOM 889 O LEU B 174 -6.610 -5.601 -1.154 1.00 0.31 O ATOM 890 CB LEU B 174 -4.118 -7.234 -2.739 1.00 0.32 C ATOM 891 CG LEU B 174 -3.440 -7.432 -4.095 1.00 0.34 C ATOM 892 CD1 LEU B 174 -2.995 -8.876 -4.265 1.00 0.40 C ATOM 893 CD2 LEU B 174 -4.378 -7.025 -5.223 1.00 0.44 C ATOM 0 H LEU B 174 -2.570 -5.323 -2.562 1.00 0.21 H new ATOM 0 HA LEU B 174 -5.269 -5.497 -3.266 1.00 0.28 H new ATOM 0 HB2 LEU B 174 -3.418 -7.522 -1.955 1.00 0.32 H new ATOM 0 HB3 LEU B 174 -4.968 -7.913 -2.673 1.00 0.32 H new ATOM 0 HG LEU B 174 -2.556 -6.795 -4.134 1.00 0.34 H new ATOM 0 HD11 LEU B 174 -2.515 -8.997 -5.236 1.00 0.40 H new ATOM 0 HD12 LEU B 174 -2.289 -9.134 -3.476 1.00 0.40 H new ATOM 0 HD13 LEU B 174 -3.862 -9.533 -4.205 1.00 0.40 H new ATOM 0 HD21 LEU B 174 -3.880 -7.172 -6.181 1.00 0.44 H new ATOM 0 HD22 LEU B 174 -5.280 -7.636 -5.185 1.00 0.44 H new ATOM 0 HD23 LEU B 174 -4.647 -5.975 -5.111 1.00 0.44 H new ATOM 905 N LEU B 175 -4.688 -5.952 -0.038 1.00 0.27 N ATOM 906 CA LEU B 175 -5.323 -5.942 1.275 1.00 0.30 C ATOM 907 C LEU B 175 -5.967 -4.589 1.562 1.00 0.27 C ATOM 908 O LEU B 175 -7.108 -4.521 2.020 1.00 0.28 O ATOM 909 CB LEU B 175 -4.302 -6.278 2.364 1.00 0.33 C ATOM 910 CG LEU B 175 -3.723 -7.693 2.292 1.00 0.38 C ATOM 911 CD1 LEU B 175 -2.799 -7.953 3.470 1.00 0.43 C ATOM 912 CD2 LEU B 175 -4.842 -8.724 2.251 1.00 0.46 C ATOM 0 H LEU B 175 -3.679 -6.101 -0.018 1.00 0.27 H new ATOM 0 HA LEU B 175 -6.105 -6.701 1.275 1.00 0.30 H new ATOM 0 HB2 LEU B 175 -3.482 -5.562 2.306 1.00 0.33 H new ATOM 0 HB3 LEU B 175 -4.774 -6.143 3.337 1.00 0.33 H new ATOM 0 HG LEU B 175 -3.140 -7.781 1.375 1.00 0.38 H new ATOM 0 HD11 LEU B 175 -2.397 -8.964 3.401 1.00 0.43 H new ATOM 0 HD12 LEU B 175 -1.979 -7.235 3.455 1.00 0.43 H new ATOM 0 HD13 LEU B 175 -3.357 -7.847 4.400 1.00 0.43 H new ATOM 0 HD21 LEU B 175 -4.413 -9.725 2.200 1.00 0.46 H new ATOM 0 HD22 LEU B 175 -5.451 -8.636 3.151 1.00 0.46 H new ATOM 0 HD23 LEU B 175 -5.464 -8.551 1.373 1.00 0.46 H new ATOM 924 N ALA B 176 -5.233 -3.515 1.290 1.00 0.25 N ATOM 925 CA ALA B 176 -5.743 -2.168 1.521 1.00 0.23 C ATOM 926 C ALA B 176 -7.088 -1.969 0.829 1.00 0.20 C ATOM 927 O ALA B 176 -8.070 -1.565 1.457 1.00 0.20 O ATOM 928 CB ALA B 176 -4.737 -1.136 1.037 1.00 0.24 C ATOM 0 H ALA B 176 -4.287 -3.550 0.911 1.00 0.25 H new ATOM 0 HA ALA B 176 -5.892 -2.036 2.593 1.00 0.23 H new ATOM 0 HB1 ALA B 176 -5.129 -0.135 1.215 1.00 0.24 H new ATOM 0 HB2 ALA B 176 -3.799 -1.260 1.579 1.00 0.24 H new ATOM 0 HB3 ALA B 176 -4.561 -1.272 -0.030 1.00 0.24 H new ATOM 934 N ILE B 177 -7.130 -2.262 -0.468 1.00 0.20 N ATOM 935 CA ILE B 177 -8.357 -2.122 -1.241 1.00 0.20 C ATOM 936 C ILE B 177 -9.438 -3.051 -0.701 1.00 0.20 C ATOM 937 O ILE B 177 -10.602 -2.668 -0.590 1.00 0.20 O ATOM 938 CB ILE B 177 -8.125 -2.422 -2.736 1.00 0.24 C ATOM 939 CG1 ILE B 177 -7.060 -1.485 -3.307 1.00 0.25 C ATOM 940 CG2 ILE B 177 -9.426 -2.282 -3.515 1.00 0.26 C ATOM 941 CD1 ILE B 177 -6.702 -1.785 -4.746 1.00 0.31 C ATOM 0 H ILE B 177 -6.329 -2.597 -1.003 1.00 0.20 H new ATOM 0 HA ILE B 177 -8.683 -1.086 -1.144 1.00 0.20 H new ATOM 0 HB ILE B 177 -7.773 -3.449 -2.832 1.00 0.24 H new ATOM 0 HG12 ILE B 177 -7.416 -0.457 -3.236 1.00 0.25 H new ATOM 0 HG13 ILE B 177 -6.161 -1.554 -2.695 1.00 0.25 H new ATOM 0 HG21 ILE B 177 -9.244 -2.497 -4.568 1.00 0.26 H new ATOM 0 HG22 ILE B 177 -10.162 -2.984 -3.123 1.00 0.26 H new ATOM 0 HG23 ILE B 177 -9.804 -1.265 -3.412 1.00 0.26 H new ATOM 0 HD11 ILE B 177 -5.941 -1.082 -5.086 1.00 0.31 H new ATOM 0 HD12 ILE B 177 -6.316 -2.802 -4.821 1.00 0.31 H new ATOM 0 HD13 ILE B 177 -7.590 -1.688 -5.370 1.00 0.31 H new ATOM 953 N GLY B 178 -9.042 -4.277 -0.370 1.00 0.23 N ATOM 954 CA GLY B 178 -9.987 -5.238 0.163 1.00 0.26 C ATOM 955 C GLY B 178 -10.676 -4.723 1.409 1.00 0.24 C ATOM 956 O GLY B 178 -11.895 -4.840 1.547 1.00 0.26 O ATOM 0 H GLY B 178 -8.086 -4.620 -0.462 1.00 0.23 H new ATOM 0 HA2 GLY B 178 -10.735 -5.470 -0.595 1.00 0.26 H new ATOM 0 HA3 GLY B 178 -9.467 -6.168 0.394 1.00 0.26 H new ATOM 960 N LEU B 179 -9.894 -4.149 2.317 1.00 0.25 N ATOM 961 CA LEU B 179 -10.435 -3.602 3.553 1.00 0.28 C ATOM 962 C LEU B 179 -11.485 -2.542 3.245 1.00 0.25 C ATOM 963 O LEU B 179 -12.564 -2.532 3.837 1.00 0.29 O ATOM 964 CB LEU B 179 -9.319 -2.999 4.407 1.00 0.33 C ATOM 965 CG LEU B 179 -8.292 -4.001 4.935 1.00 0.39 C ATOM 966 CD1 LEU B 179 -7.219 -3.288 5.744 1.00 0.47 C ATOM 967 CD2 LEU B 179 -8.974 -5.069 5.774 1.00 0.43 C ATOM 0 H LEU B 179 -8.883 -4.051 2.219 1.00 0.25 H new ATOM 0 HA LEU B 179 -10.903 -4.413 4.112 1.00 0.28 H new ATOM 0 HB2 LEU B 179 -8.798 -2.245 3.817 1.00 0.33 H new ATOM 0 HB3 LEU B 179 -9.770 -2.484 5.255 1.00 0.33 H new ATOM 0 HG LEU B 179 -7.814 -4.486 4.084 1.00 0.39 H new ATOM 0 HD11 LEU B 179 -6.497 -4.017 6.112 1.00 0.47 H new ATOM 0 HD12 LEU B 179 -6.710 -2.560 5.112 1.00 0.47 H new ATOM 0 HD13 LEU B 179 -7.680 -2.776 6.589 1.00 0.47 H new ATOM 0 HD21 LEU B 179 -8.228 -5.774 6.142 1.00 0.43 H new ATOM 0 HD22 LEU B 179 -9.479 -4.601 6.619 1.00 0.43 H new ATOM 0 HD23 LEU B 179 -9.705 -5.600 5.164 1.00 0.43 H new ATOM 979 N GLY B 180 -11.160 -1.650 2.314 1.00 0.22 N ATOM 980 CA GLY B 180 -12.090 -0.603 1.939 1.00 0.23 C ATOM 981 C GLY B 180 -13.437 -1.157 1.521 1.00 0.22 C ATOM 982 O GLY B 180 -14.481 -0.644 1.923 1.00 0.27 O ATOM 0 H GLY B 180 -10.271 -1.634 1.814 1.00 0.22 H new ATOM 0 HA2 GLY B 180 -12.224 0.079 2.778 1.00 0.23 H new ATOM 0 HA3 GLY B 180 -11.668 -0.021 1.120 1.00 0.23 H new ATOM 986 N ILE B 181 -13.413 -2.211 0.712 1.00 0.21 N ATOM 987 CA ILE B 181 -14.640 -2.839 0.238 1.00 0.27 C ATOM 988 C ILE B 181 -15.468 -3.371 1.403 1.00 0.29 C ATOM 989 O ILE B 181 -16.675 -3.148 1.469 1.00 0.35 O ATOM 990 CB ILE B 181 -14.339 -3.996 -0.735 1.00 0.34 C ATOM 991 CG1 ILE B 181 -13.513 -3.491 -1.919 1.00 0.38 C ATOM 992 CG2 ILE B 181 -15.631 -4.639 -1.219 1.00 0.44 C ATOM 993 CD1 ILE B 181 -13.160 -4.573 -2.917 1.00 0.93 C ATOM 0 H ILE B 181 -12.557 -2.648 0.371 1.00 0.21 H new ATOM 0 HA ILE B 181 -15.207 -2.071 -0.288 1.00 0.27 H new ATOM 0 HB ILE B 181 -13.760 -4.752 -0.205 1.00 0.34 H new ATOM 0 HG12 ILE B 181 -14.069 -2.705 -2.430 1.00 0.38 H new ATOM 0 HG13 ILE B 181 -12.594 -3.040 -1.544 1.00 0.38 H new ATOM 0 HG21 ILE B 181 -15.397 -5.453 -1.905 1.00 0.44 H new ATOM 0 HG22 ILE B 181 -16.184 -5.031 -0.366 1.00 0.44 H new ATOM 0 HG23 ILE B 181 -16.238 -3.894 -1.734 1.00 0.44 H new ATOM 0 HD11 ILE B 181 -12.574 -4.142 -3.729 1.00 0.93 H new ATOM 0 HD12 ILE B 181 -12.577 -5.349 -2.421 1.00 0.93 H new ATOM 0 HD13 ILE B 181 -14.074 -5.008 -3.320 1.00 0.93 H new ATOM 1005 N TYR B 182 -14.807 -4.073 2.318 1.00 0.31 N ATOM 1006 CA TYR B 182 -15.481 -4.642 3.479 1.00 0.40 C ATOM 1007 C TYR B 182 -16.224 -3.566 4.264 1.00 0.44 C ATOM 1008 O TYR B 182 -17.387 -3.742 4.627 1.00 0.52 O ATOM 1009 CB TYR B 182 -14.470 -5.346 4.387 1.00 0.44 C ATOM 1010 CG TYR B 182 -15.103 -6.053 5.564 1.00 0.56 C ATOM 1011 CD1 TYR B 182 -15.689 -7.303 5.414 1.00 1.42 C ATOM 1012 CD2 TYR B 182 -15.114 -5.469 6.824 1.00 1.25 C ATOM 1013 CE1 TYR B 182 -16.269 -7.953 6.486 1.00 1.52 C ATOM 1014 CE2 TYR B 182 -15.692 -6.113 7.903 1.00 1.30 C ATOM 1015 CZ TYR B 182 -16.268 -7.353 7.728 1.00 0.84 C ATOM 1016 OH TYR B 182 -16.846 -7.996 8.799 1.00 0.99 O ATOM 0 H TYR B 182 -13.805 -4.261 2.278 1.00 0.31 H new ATOM 0 HA TYR B 182 -16.209 -5.370 3.122 1.00 0.40 H new ATOM 0 HB2 TYR B 182 -13.908 -6.071 3.798 1.00 0.44 H new ATOM 0 HB3 TYR B 182 -13.754 -4.612 4.757 1.00 0.44 H new ATOM 0 HD1 TYR B 182 -15.691 -7.775 4.443 1.00 1.42 H new ATOM 0 HD2 TYR B 182 -14.664 -4.497 6.963 1.00 1.25 H new ATOM 0 HE1 TYR B 182 -16.720 -8.925 6.353 1.00 1.52 H new ATOM 0 HE2 TYR B 182 -15.692 -5.647 8.877 1.00 1.30 H new ATOM 0 HH TYR B 182 -16.759 -7.439 9.601 1.00 0.99 H new ATOM 1026 N ILE B 183 -15.546 -2.454 4.525 1.00 0.44 N ATOM 1027 CA ILE B 183 -16.145 -1.351 5.269 1.00 0.55 C ATOM 1028 C ILE B 183 -17.360 -0.792 4.537 1.00 0.56 C ATOM 1029 O ILE B 183 -18.432 -0.636 5.121 1.00 0.67 O ATOM 1030 CB ILE B 183 -15.132 -0.212 5.501 1.00 0.60 C ATOM 1031 CG1 ILE B 183 -13.891 -0.742 6.221 1.00 0.63 C ATOM 1032 CG2 ILE B 183 -15.775 0.913 6.299 1.00 0.74 C ATOM 1033 CD1 ILE B 183 -12.831 0.312 6.458 1.00 1.10 C ATOM 0 H ILE B 183 -14.582 -2.292 4.233 1.00 0.44 H new ATOM 0 HA ILE B 183 -16.456 -1.752 6.234 1.00 0.55 H new ATOM 0 HB ILE B 183 -14.825 0.184 4.533 1.00 0.60 H new ATOM 0 HG12 ILE B 183 -14.191 -1.166 7.180 1.00 0.63 H new ATOM 0 HG13 ILE B 183 -13.460 -1.553 5.635 1.00 0.63 H new ATOM 0 HG21 ILE B 183 -15.048 1.710 6.455 1.00 0.74 H new ATOM 0 HG22 ILE B 183 -16.631 1.305 5.750 1.00 0.74 H new ATOM 0 HG23 ILE B 183 -16.107 0.531 7.264 1.00 0.74 H new ATOM 0 HD11 ILE B 183 -11.981 -0.136 6.973 1.00 1.10 H new ATOM 0 HD12 ILE B 183 -12.503 0.719 5.502 1.00 1.10 H new ATOM 0 HD13 ILE B 183 -13.245 1.113 7.071 1.00 1.10 H new ATOM 1045 N GLY B 184 -17.185 -0.492 3.255 1.00 0.49 N ATOM 1046 CA GLY B 184 -18.273 0.050 2.463 1.00 0.55 C ATOM 1047 C GLY B 184 -19.484 -0.862 2.430 1.00 0.61 C ATOM 1048 O GLY B 184 -20.603 -0.428 2.701 1.00 0.72 O ATOM 0 H GLY B 184 -16.308 -0.615 2.749 1.00 0.49 H new ATOM 0 HA2 GLY B 184 -18.564 1.019 2.868 1.00 0.55 H new ATOM 0 HA3 GLY B 184 -17.925 0.222 1.444 1.00 0.55 H new ATOM 1052 N ARG B 185 -19.260 -2.130 2.096 1.00 0.58 N ATOM 1053 CA ARG B 185 -20.344 -3.102 2.021 1.00 0.70 C ATOM 1054 C ARG B 185 -21.017 -3.287 3.378 1.00 0.81 C ATOM 1055 O ARG B 185 -22.170 -3.710 3.455 1.00 0.96 O ATOM 1056 CB ARG B 185 -19.820 -4.447 1.510 1.00 0.71 C ATOM 1057 CG ARG B 185 -18.877 -5.140 2.471 1.00 0.66 C ATOM 1058 CD ARG B 185 -18.619 -6.581 2.060 1.00 0.80 C ATOM 1059 NE ARG B 185 -17.971 -6.671 0.756 1.00 1.20 N ATOM 1060 CZ ARG B 185 -17.578 -7.816 0.206 1.00 1.57 C ATOM 1061 NH1 ARG B 185 -17.773 -8.962 0.843 1.00 1.68 N ATOM 1062 NH2 ARG B 185 -16.990 -7.816 -0.982 1.00 2.16 N ATOM 0 H ARG B 185 -18.339 -2.507 1.873 1.00 0.58 H new ATOM 0 HA ARG B 185 -21.087 -2.718 1.322 1.00 0.70 H new ATOM 0 HB2 ARG B 185 -20.667 -5.104 1.309 1.00 0.71 H new ATOM 0 HB3 ARG B 185 -19.306 -4.290 0.561 1.00 0.71 H new ATOM 0 HG2 ARG B 185 -17.932 -4.597 2.510 1.00 0.66 H new ATOM 0 HG3 ARG B 185 -19.299 -5.118 3.476 1.00 0.66 H new ATOM 0 HD2 ARG B 185 -17.993 -7.065 2.810 1.00 0.80 H new ATOM 0 HD3 ARG B 185 -19.563 -7.125 2.034 1.00 0.80 H new ATOM 0 HE ARG B 185 -17.810 -5.807 0.237 1.00 1.20 H new ATOM 0 HH11 ARG B 185 -18.225 -8.967 1.757 1.00 1.68 H new ATOM 0 HH12 ARG B 185 -17.471 -9.839 0.419 1.00 1.68 H new ATOM 0 HH21 ARG B 185 -16.838 -6.937 -1.476 1.00 2.16 H new ATOM 0 HH22 ARG B 185 -16.689 -8.695 -1.402 1.00 2.16 H new