USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 588 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 27 CYS SG : rot 102:sc= -4.17! USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.0167 K(o=-0.017,f=-1.2) USER MOD Single : A 46 MET CE :methyl -166:sc= -0.723 (180deg=-0.921) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -28:sc= 0.0337 USER MOD Single : A 63 GLN : amide:sc= -0.0475 K(o=-0.048,f=-0.89) USER MOD Single : A 66 SER OG : rot 180:sc=-0.00487 USER MOD Single : A 67 GLN : amide:sc= -0.265 K(o=-0.27,f=-3.5!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 HIS : no HD1:sc= -2.18 X(o=-2.2,f=-2.5!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS : no HD1:sc= -0.873 X(o=-0.87,f=-0.76) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -151:sc= -0.377 (180deg=-1.4!) USER MOD Single : A 91 SER OG : rot 31:sc= 0.134 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 167 N GLY A 16 -0.758 9.255 0.239 1.00 0.00 N ATOM 168 CA GLY A 16 -1.018 7.837 0.078 1.00 0.00 C ATOM 169 C GLY A 16 0.042 6.975 0.734 1.00 0.00 C ATOM 170 O GLY A 16 0.398 5.915 0.218 1.00 0.00 O ATOM 0 HA2 GLY A 16 -1.992 7.598 0.506 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.070 7.599 -0.984 1.00 0.00 H new ATOM 174 N PHE A 17 0.551 7.429 1.874 1.00 0.00 N ATOM 175 CA PHE A 17 1.580 6.693 2.600 1.00 0.00 C ATOM 176 C PHE A 17 0.965 5.553 3.407 1.00 0.00 C ATOM 177 O PHE A 17 -0.085 5.713 4.029 1.00 0.00 O ATOM 178 CB PHE A 17 2.350 7.634 3.530 1.00 0.00 C ATOM 179 CG PHE A 17 3.783 7.831 3.129 1.00 0.00 C ATOM 180 CD1 PHE A 17 4.754 6.915 3.504 1.00 0.00 C ATOM 181 CD2 PHE A 17 4.162 8.931 2.376 1.00 0.00 C ATOM 182 CE1 PHE A 17 6.074 7.093 3.137 1.00 0.00 C ATOM 183 CE2 PHE A 17 5.480 9.114 2.007 1.00 0.00 C ATOM 184 CZ PHE A 17 6.438 8.196 2.387 1.00 0.00 C ATOM 0 H PHE A 17 0.268 8.304 2.316 1.00 0.00 H new ATOM 0 HA PHE A 17 2.271 6.268 1.872 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.850 8.602 3.549 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.316 7.237 4.545 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.475 6.052 4.090 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.418 9.653 2.074 1.00 0.00 H new ATOM 0 HE1 PHE A 17 6.820 6.372 3.435 1.00 0.00 H new ATOM 0 HE2 PHE A 17 5.761 9.976 1.421 1.00 0.00 H new ATOM 0 HZ PHE A 17 7.469 8.339 2.099 1.00 0.00 H new ATOM 194 N VAL A 18 1.628 4.400 3.391 1.00 0.00 N ATOM 195 CA VAL A 18 1.149 3.233 4.121 1.00 0.00 C ATOM 196 C VAL A 18 2.266 2.605 4.946 1.00 0.00 C ATOM 197 O VAL A 18 3.433 2.639 4.557 1.00 0.00 O ATOM 198 CB VAL A 18 0.572 2.171 3.165 1.00 0.00 C ATOM 199 CG1 VAL A 18 -0.600 2.741 2.381 1.00 0.00 C ATOM 200 CG2 VAL A 18 1.652 1.657 2.227 1.00 0.00 C ATOM 0 H VAL A 18 2.498 4.250 2.880 1.00 0.00 H new ATOM 0 HA VAL A 18 0.359 3.579 4.788 1.00 0.00 H new ATOM 0 HB VAL A 18 0.208 1.331 3.757 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.995 1.978 1.711 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.381 3.057 3.072 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.265 3.598 1.797 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.227 0.908 1.559 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.048 2.485 1.639 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.457 1.209 2.810 1.00 0.00 H new ATOM 210 N ARG A 19 1.899 2.031 6.087 1.00 0.00 N ATOM 211 CA ARG A 19 2.870 1.394 6.969 1.00 0.00 C ATOM 212 C ARG A 19 2.653 -0.115 7.018 1.00 0.00 C ATOM 213 O ARG A 19 1.526 -0.587 7.174 1.00 0.00 O ATOM 214 CB ARG A 19 2.773 1.981 8.379 1.00 0.00 C ATOM 215 CG ARG A 19 3.612 1.239 9.406 1.00 0.00 C ATOM 216 CD ARG A 19 2.907 1.161 10.751 1.00 0.00 C ATOM 217 NE ARG A 19 3.605 1.928 11.780 1.00 0.00 N ATOM 218 CZ ARG A 19 3.626 3.255 11.820 1.00 0.00 C ATOM 219 NH1 ARG A 19 2.990 3.961 10.894 1.00 0.00 N ATOM 220 NH2 ARG A 19 4.282 3.881 12.789 1.00 0.00 N ATOM 0 H ARG A 19 0.936 1.994 6.422 1.00 0.00 H new ATOM 0 HA ARG A 19 3.866 1.587 6.571 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.087 3.025 8.351 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.731 1.970 8.697 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.823 0.232 9.046 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.571 1.742 9.526 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.888 1.535 10.649 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.834 0.119 11.062 1.00 0.00 H new ATOM 0 HE ARG A 19 4.104 1.416 12.508 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.483 3.484 10.148 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.008 4.980 10.928 1.00 0.00 H new ATOM 0 HH21 ARG A 19 4.771 3.343 13.504 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.297 4.900 12.818 1.00 0.00 H new ATOM 234 N LEU A 20 3.739 -0.869 6.884 1.00 0.00 N ATOM 235 CA LEU A 20 3.667 -2.326 6.913 1.00 0.00 C ATOM 236 C LEU A 20 4.300 -2.877 8.187 1.00 0.00 C ATOM 237 O LEU A 20 5.278 -2.329 8.694 1.00 0.00 O ATOM 238 CB LEU A 20 4.368 -2.915 5.687 1.00 0.00 C ATOM 239 CG LEU A 20 4.295 -2.081 4.407 1.00 0.00 C ATOM 240 CD1 LEU A 20 5.052 -2.765 3.281 1.00 0.00 C ATOM 241 CD2 LEU A 20 2.845 -1.840 4.009 1.00 0.00 C ATOM 0 H LEU A 20 4.679 -0.496 6.754 1.00 0.00 H new ATOM 0 HA LEU A 20 2.616 -2.614 6.897 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.418 -3.073 5.935 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.937 -3.895 5.483 1.00 0.00 H new ATOM 0 HG LEU A 20 4.764 -1.116 4.598 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.989 -2.157 2.378 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.097 -2.885 3.566 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.613 -3.744 3.090 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.812 -1.245 3.096 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.351 -2.796 3.837 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.332 -1.306 4.809 1.00 0.00 H new ATOM 253 N ARG A 21 3.735 -3.965 8.699 1.00 0.00 N ATOM 254 CA ARG A 21 4.243 -4.592 9.913 1.00 0.00 C ATOM 255 C ARG A 21 4.209 -6.113 9.796 1.00 0.00 C ATOM 256 O ARG A 21 3.166 -6.701 9.517 1.00 0.00 O ATOM 257 CB ARG A 21 3.424 -4.144 11.125 1.00 0.00 C ATOM 258 CG ARG A 21 4.163 -3.180 12.037 1.00 0.00 C ATOM 259 CD ARG A 21 3.464 -3.038 13.380 1.00 0.00 C ATOM 260 NE ARG A 21 3.982 -1.909 14.150 1.00 0.00 N ATOM 261 CZ ARG A 21 3.644 -1.663 15.410 1.00 0.00 C ATOM 262 NH1 ARG A 21 2.794 -2.461 16.041 1.00 0.00 N ATOM 263 NH2 ARG A 21 4.158 -0.617 16.044 1.00 0.00 N ATOM 0 H ARG A 21 2.924 -4.431 8.292 1.00 0.00 H new ATOM 0 HA ARG A 21 5.278 -4.279 10.047 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.506 -3.670 10.777 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.131 -5.023 11.700 1.00 0.00 H new ATOM 0 HG2 ARG A 21 5.183 -3.533 12.192 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.233 -2.204 11.557 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.394 -2.907 13.220 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.590 -3.956 13.953 1.00 0.00 H new ATOM 0 HE ARG A 21 4.639 -1.276 13.694 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.397 -3.267 15.558 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.537 -2.269 17.009 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.814 -0.001 15.563 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.898 -0.429 17.012 1.00 0.00 H new ATOM 277 N GLY A 22 5.361 -6.744 10.009 1.00 0.00 N ATOM 278 CA GLY A 22 5.441 -8.191 9.922 1.00 0.00 C ATOM 279 C GLY A 22 6.056 -8.660 8.619 1.00 0.00 C ATOM 280 O GLY A 22 5.673 -9.700 8.082 1.00 0.00 O ATOM 0 H GLY A 22 6.239 -6.279 10.240 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.032 -8.570 10.756 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.441 -8.614 10.021 1.00 0.00 H new ATOM 284 N LEU A 23 7.012 -7.891 8.107 1.00 0.00 N ATOM 285 CA LEU A 23 7.681 -8.233 6.858 1.00 0.00 C ATOM 286 C LEU A 23 8.547 -9.477 7.025 1.00 0.00 C ATOM 287 O LEU A 23 9.162 -9.699 8.069 1.00 0.00 O ATOM 288 CB LEU A 23 8.539 -7.061 6.378 1.00 0.00 C ATOM 289 CG LEU A 23 7.802 -5.744 6.134 1.00 0.00 C ATOM 290 CD1 LEU A 23 8.786 -4.589 6.049 1.00 0.00 C ATOM 291 CD2 LEU A 23 6.965 -5.828 4.866 1.00 0.00 C ATOM 0 H LEU A 23 7.340 -7.027 8.538 1.00 0.00 H new ATOM 0 HA LEU A 23 6.915 -8.445 6.112 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.322 -6.884 7.115 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.033 -7.354 5.452 1.00 0.00 H new ATOM 0 HG LEU A 23 7.133 -5.563 6.976 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.243 -3.660 5.875 1.00 0.00 H new ATOM 0 HD12 LEU A 23 9.342 -4.515 6.984 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.481 -4.762 5.227 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.448 -4.882 4.708 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.614 -6.033 4.015 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.233 -6.630 4.966 1.00 0.00 H new ATOM 303 N PRO A 24 8.599 -10.309 5.975 1.00 0.00 N ATOM 304 CA PRO A 24 9.389 -11.544 5.981 1.00 0.00 C ATOM 305 C PRO A 24 10.890 -11.271 5.964 1.00 0.00 C ATOM 306 O PRO A 24 11.326 -10.159 5.671 1.00 0.00 O ATOM 307 CB PRO A 24 8.960 -12.246 4.691 1.00 0.00 C ATOM 308 CG PRO A 24 8.497 -11.148 3.797 1.00 0.00 C ATOM 309 CD PRO A 24 7.892 -10.107 4.699 1.00 0.00 C ATOM 0 HA PRO A 24 9.216 -12.134 6.881 1.00 0.00 H new ATOM 0 HB2 PRO A 24 9.789 -12.796 4.245 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.164 -12.966 4.878 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.327 -10.734 3.225 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.765 -11.513 3.077 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.045 -9.100 4.310 1.00 0.00 H new ATOM 0 HD3 PRO A 24 6.817 -10.246 4.809 1.00 0.00 H new ATOM 317 N PHE A 25 11.675 -12.296 6.282 1.00 0.00 N ATOM 318 CA PHE A 25 13.128 -12.167 6.305 1.00 0.00 C ATOM 319 C PHE A 25 13.675 -11.939 4.898 1.00 0.00 C ATOM 320 O PHE A 25 13.695 -12.851 4.073 1.00 0.00 O ATOM 321 CB PHE A 25 13.762 -13.418 6.915 1.00 0.00 C ATOM 322 CG PHE A 25 14.897 -13.118 7.852 1.00 0.00 C ATOM 323 CD1 PHE A 25 14.657 -12.558 9.095 1.00 0.00 C ATOM 324 CD2 PHE A 25 16.205 -13.397 7.487 1.00 0.00 C ATOM 325 CE1 PHE A 25 15.700 -12.280 9.959 1.00 0.00 C ATOM 326 CE2 PHE A 25 17.253 -13.122 8.347 1.00 0.00 C ATOM 327 CZ PHE A 25 16.999 -12.563 9.585 1.00 0.00 C ATOM 0 H PHE A 25 11.330 -13.224 6.527 1.00 0.00 H new ATOM 0 HA PHE A 25 13.383 -11.303 6.919 1.00 0.00 H new ATOM 0 HB2 PHE A 25 12.997 -13.979 7.452 1.00 0.00 H new ATOM 0 HB3 PHE A 25 14.124 -14.061 6.112 1.00 0.00 H new ATOM 0 HD1 PHE A 25 13.643 -12.336 9.393 1.00 0.00 H new ATOM 0 HD2 PHE A 25 16.408 -13.834 6.520 1.00 0.00 H new ATOM 0 HE1 PHE A 25 15.499 -11.842 10.926 1.00 0.00 H new ATOM 0 HE2 PHE A 25 18.268 -13.344 8.051 1.00 0.00 H new ATOM 0 HZ PHE A 25 17.815 -12.348 10.259 1.00 0.00 H new ATOM 337 N GLY A 26 14.118 -10.714 4.634 1.00 0.00 N ATOM 338 CA GLY A 26 14.660 -10.388 3.327 1.00 0.00 C ATOM 339 C GLY A 26 13.710 -9.544 2.501 1.00 0.00 C ATOM 340 O GLY A 26 13.914 -9.365 1.299 1.00 0.00 O ATOM 0 H GLY A 26 14.112 -9.942 5.301 1.00 0.00 H new ATOM 0 HA2 GLY A 26 15.602 -9.854 3.450 1.00 0.00 H new ATOM 0 HA3 GLY A 26 14.884 -11.309 2.789 1.00 0.00 H new ATOM 344 N CYS A 27 12.669 -9.027 3.143 1.00 0.00 N ATOM 345 CA CYS A 27 11.682 -8.200 2.458 1.00 0.00 C ATOM 346 C CYS A 27 12.327 -6.941 1.890 1.00 0.00 C ATOM 347 O CYS A 27 13.038 -6.224 2.595 1.00 0.00 O ATOM 348 CB CYS A 27 10.551 -7.821 3.415 1.00 0.00 C ATOM 349 SG CYS A 27 9.573 -6.399 2.875 1.00 0.00 S ATOM 0 H CYS A 27 12.486 -9.166 4.137 1.00 0.00 H new ATOM 0 HA CYS A 27 11.270 -8.779 1.632 1.00 0.00 H new ATOM 0 HB2 CYS A 27 9.889 -8.679 3.536 1.00 0.00 H new ATOM 0 HB3 CYS A 27 10.976 -7.605 4.395 1.00 0.00 H new ATOM 0 HG CYS A 27 8.451 -6.813 2.365 1.00 0.00 H new ATOM 355 N SER A 28 12.077 -6.678 0.612 1.00 0.00 N ATOM 356 CA SER A 28 12.638 -5.508 -0.053 1.00 0.00 C ATOM 357 C SER A 28 11.662 -4.947 -1.084 1.00 0.00 C ATOM 358 O SER A 28 10.604 -5.525 -1.334 1.00 0.00 O ATOM 359 CB SER A 28 13.962 -5.865 -0.730 1.00 0.00 C ATOM 360 OG SER A 28 14.914 -6.314 0.219 1.00 0.00 O ATOM 0 H SER A 28 11.489 -7.260 0.015 1.00 0.00 H new ATOM 0 HA SER A 28 12.819 -4.744 0.703 1.00 0.00 H new ATOM 0 HB2 SER A 28 13.795 -6.641 -1.477 1.00 0.00 H new ATOM 0 HB3 SER A 28 14.352 -4.994 -1.257 1.00 0.00 H new ATOM 0 HG SER A 28 15.751 -6.538 -0.238 1.00 0.00 H new ATOM 366 N LYS A 29 12.026 -3.817 -1.680 1.00 0.00 N ATOM 367 CA LYS A 29 11.186 -3.178 -2.685 1.00 0.00 C ATOM 368 C LYS A 29 10.867 -4.142 -3.822 1.00 0.00 C ATOM 369 O LYS A 29 9.749 -4.164 -4.335 1.00 0.00 O ATOM 370 CB LYS A 29 11.877 -1.929 -3.238 1.00 0.00 C ATOM 371 CG LYS A 29 11.886 -0.759 -2.270 1.00 0.00 C ATOM 372 CD LYS A 29 13.177 0.037 -2.371 1.00 0.00 C ATOM 373 CE LYS A 29 13.818 0.235 -1.005 1.00 0.00 C ATOM 374 NZ LYS A 29 15.303 0.130 -1.070 1.00 0.00 N ATOM 0 H LYS A 29 12.898 -3.325 -1.484 1.00 0.00 H new ATOM 0 HA LYS A 29 10.250 -2.887 -2.208 1.00 0.00 H new ATOM 0 HB2 LYS A 29 12.905 -2.179 -3.502 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.377 -1.625 -4.158 1.00 0.00 H new ATOM 0 HG2 LYS A 29 11.038 -0.107 -2.478 1.00 0.00 H new ATOM 0 HG3 LYS A 29 11.763 -1.127 -1.251 1.00 0.00 H new ATOM 0 HD2 LYS A 29 13.874 -0.481 -3.030 1.00 0.00 H new ATOM 0 HD3 LYS A 29 12.973 1.008 -2.823 1.00 0.00 H new ATOM 0 HE2 LYS A 29 13.540 1.213 -0.611 1.00 0.00 H new ATOM 0 HE3 LYS A 29 13.431 -0.511 -0.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 15.703 0.271 -0.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 15.569 -0.812 -1.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 15.675 0.858 -1.713 1.00 0.00 H new ATOM 388 N GLU A 30 11.858 -4.938 -4.212 1.00 0.00 N ATOM 389 CA GLU A 30 11.682 -5.906 -5.288 1.00 0.00 C ATOM 390 C GLU A 30 10.473 -6.800 -5.025 1.00 0.00 C ATOM 391 O GLU A 30 9.804 -7.246 -5.956 1.00 0.00 O ATOM 392 CB GLU A 30 12.939 -6.763 -5.445 1.00 0.00 C ATOM 393 CG GLU A 30 13.893 -6.255 -6.514 1.00 0.00 C ATOM 394 CD GLU A 30 13.755 -7.007 -7.823 1.00 0.00 C ATOM 395 OE1 GLU A 30 14.011 -8.229 -7.836 1.00 0.00 O ATOM 396 OE2 GLU A 30 13.391 -6.374 -8.836 1.00 0.00 O ATOM 0 H GLU A 30 12.791 -4.931 -3.799 1.00 0.00 H new ATOM 0 HA GLU A 30 11.510 -5.354 -6.212 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.464 -6.802 -4.490 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.644 -7.784 -5.688 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.708 -5.195 -6.687 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.918 -6.345 -6.154 1.00 0.00 H new ATOM 403 N GLU A 31 10.202 -7.056 -3.749 1.00 0.00 N ATOM 404 CA GLU A 31 9.075 -7.898 -3.363 1.00 0.00 C ATOM 405 C GLU A 31 7.813 -7.062 -3.167 1.00 0.00 C ATOM 406 O GLU A 31 6.712 -7.493 -3.509 1.00 0.00 O ATOM 407 CB GLU A 31 9.398 -8.662 -2.077 1.00 0.00 C ATOM 408 CG GLU A 31 10.270 -9.886 -2.299 1.00 0.00 C ATOM 409 CD GLU A 31 10.220 -10.856 -1.134 1.00 0.00 C ATOM 410 OE1 GLU A 31 10.562 -10.445 -0.006 1.00 0.00 O ATOM 411 OE2 GLU A 31 9.841 -12.026 -1.352 1.00 0.00 O ATOM 0 H GLU A 31 10.746 -6.693 -2.966 1.00 0.00 H new ATOM 0 HA GLU A 31 8.896 -8.612 -4.167 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.900 -7.990 -1.381 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.466 -8.971 -1.604 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.949 -10.397 -3.207 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.301 -9.569 -2.459 1.00 0.00 H new ATOM 418 N ILE A 32 7.983 -5.865 -2.617 1.00 0.00 N ATOM 419 CA ILE A 32 6.859 -4.968 -2.377 1.00 0.00 C ATOM 420 C ILE A 32 6.204 -4.545 -3.688 1.00 0.00 C ATOM 421 O ILE A 32 5.034 -4.839 -3.933 1.00 0.00 O ATOM 422 CB ILE A 32 7.297 -3.710 -1.605 1.00 0.00 C ATOM 423 CG1 ILE A 32 7.876 -4.097 -0.243 1.00 0.00 C ATOM 424 CG2 ILE A 32 6.124 -2.757 -1.437 1.00 0.00 C ATOM 425 CD1 ILE A 32 8.432 -2.923 0.533 1.00 0.00 C ATOM 0 H ILE A 32 8.888 -5.493 -2.329 1.00 0.00 H new ATOM 0 HA ILE A 32 6.138 -5.520 -1.775 1.00 0.00 H new ATOM 0 HB ILE A 32 8.073 -3.202 -2.177 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.098 -4.578 0.350 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.667 -4.833 -0.389 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.449 -1.873 -0.889 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.753 -2.460 -2.418 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.328 -3.254 -0.883 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.825 -3.272 1.488 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.232 -2.454 -0.040 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.639 -2.196 0.711 1.00 0.00 H new ATOM 437 N VAL A 33 6.967 -3.854 -4.528 1.00 0.00 N ATOM 438 CA VAL A 33 6.463 -3.391 -5.815 1.00 0.00 C ATOM 439 C VAL A 33 5.476 -4.390 -6.409 1.00 0.00 C ATOM 440 O VAL A 33 4.443 -4.005 -6.957 1.00 0.00 O ATOM 441 CB VAL A 33 7.609 -3.161 -6.818 1.00 0.00 C ATOM 442 CG1 VAL A 33 7.057 -2.909 -8.213 1.00 0.00 C ATOM 443 CG2 VAL A 33 8.487 -2.003 -6.366 1.00 0.00 C ATOM 0 H VAL A 33 7.937 -3.602 -4.340 1.00 0.00 H new ATOM 0 HA VAL A 33 5.954 -2.444 -5.634 1.00 0.00 H new ATOM 0 HB VAL A 33 8.223 -4.061 -6.854 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.882 -2.749 -8.907 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.474 -3.772 -8.535 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.419 -2.025 -8.198 1.00 0.00 H new ATOM 0 HG21 VAL A 33 9.292 -1.854 -7.086 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.887 -1.096 -6.300 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.912 -2.229 -5.388 1.00 0.00 H new ATOM 453 N GLN A 34 5.801 -5.674 -6.295 1.00 0.00 N ATOM 454 CA GLN A 34 4.943 -6.729 -6.822 1.00 0.00 C ATOM 455 C GLN A 34 3.786 -7.014 -5.871 1.00 0.00 C ATOM 456 O GLN A 34 2.648 -7.200 -6.299 1.00 0.00 O ATOM 457 CB GLN A 34 5.753 -8.005 -7.057 1.00 0.00 C ATOM 458 CG GLN A 34 6.232 -8.166 -8.491 1.00 0.00 C ATOM 459 CD GLN A 34 5.595 -9.351 -9.189 1.00 0.00 C ATOM 460 OE1 GLN A 34 6.038 -10.489 -9.034 1.00 0.00 O ATOM 461 NE2 GLN A 34 4.548 -9.089 -9.963 1.00 0.00 N ATOM 0 H GLN A 34 6.652 -6.009 -5.843 1.00 0.00 H new ATOM 0 HA GLN A 34 4.533 -6.389 -7.773 1.00 0.00 H new ATOM 0 HB2 GLN A 34 6.617 -8.005 -6.392 1.00 0.00 H new ATOM 0 HB3 GLN A 34 5.143 -8.867 -6.787 1.00 0.00 H new ATOM 0 HG2 GLN A 34 6.008 -7.257 -9.049 1.00 0.00 H new ATOM 0 HG3 GLN A 34 7.315 -8.285 -8.497 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.215 -8.130 -10.062 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.077 -9.847 -10.458 1.00 0.00 H new ATOM 470 N PHE A 35 4.085 -7.049 -4.576 1.00 0.00 N ATOM 471 CA PHE A 35 3.071 -7.313 -3.564 1.00 0.00 C ATOM 472 C PHE A 35 1.883 -6.369 -3.724 1.00 0.00 C ATOM 473 O PHE A 35 0.783 -6.649 -3.247 1.00 0.00 O ATOM 474 CB PHE A 35 3.667 -7.166 -2.162 1.00 0.00 C ATOM 475 CG PHE A 35 2.638 -6.927 -1.095 1.00 0.00 C ATOM 476 CD1 PHE A 35 1.945 -7.987 -0.532 1.00 0.00 C ATOM 477 CD2 PHE A 35 2.365 -5.643 -0.653 1.00 0.00 C ATOM 478 CE1 PHE A 35 0.997 -7.769 0.450 1.00 0.00 C ATOM 479 CE2 PHE A 35 1.418 -5.419 0.329 1.00 0.00 C ATOM 480 CZ PHE A 35 0.734 -6.484 0.882 1.00 0.00 C ATOM 0 H PHE A 35 5.022 -6.898 -4.204 1.00 0.00 H new ATOM 0 HA PHE A 35 2.720 -8.336 -3.697 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.229 -8.068 -1.918 1.00 0.00 H new ATOM 0 HB3 PHE A 35 4.377 -6.339 -2.163 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.148 -8.994 -0.864 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.898 -4.807 -1.081 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.462 -8.603 0.879 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.213 -4.413 0.663 1.00 0.00 H new ATOM 0 HZ PHE A 35 -0.005 -6.312 1.651 1.00 0.00 H new ATOM 490 N PHE A 36 2.113 -5.247 -4.398 1.00 0.00 N ATOM 491 CA PHE A 36 1.064 -4.259 -4.621 1.00 0.00 C ATOM 492 C PHE A 36 0.626 -4.251 -6.083 1.00 0.00 C ATOM 493 O PHE A 36 0.261 -3.209 -6.627 1.00 0.00 O ATOM 494 CB PHE A 36 1.550 -2.866 -4.215 1.00 0.00 C ATOM 495 CG PHE A 36 1.496 -2.621 -2.734 1.00 0.00 C ATOM 496 CD1 PHE A 36 0.335 -2.866 -2.020 1.00 0.00 C ATOM 497 CD2 PHE A 36 2.607 -2.144 -2.056 1.00 0.00 C ATOM 498 CE1 PHE A 36 0.282 -2.642 -0.657 1.00 0.00 C ATOM 499 CE2 PHE A 36 2.559 -1.918 -0.694 1.00 0.00 C ATOM 500 CZ PHE A 36 1.395 -2.166 0.007 1.00 0.00 C ATOM 0 H PHE A 36 3.017 -4.999 -4.800 1.00 0.00 H new ATOM 0 HA PHE A 36 0.207 -4.531 -4.005 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.575 -2.733 -4.560 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.943 -2.116 -4.722 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.539 -3.237 -2.534 1.00 0.00 H new ATOM 0 HD2 PHE A 36 3.520 -1.947 -2.598 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.629 -2.839 -0.112 1.00 0.00 H new ATOM 0 HE2 PHE A 36 3.432 -1.547 -0.177 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.356 -1.988 1.072 1.00 0.00 H new ATOM 510 N SER A 37 0.667 -5.420 -6.713 1.00 0.00 N ATOM 511 CA SER A 37 0.279 -5.548 -8.113 1.00 0.00 C ATOM 512 C SER A 37 -1.029 -4.812 -8.384 1.00 0.00 C ATOM 513 O SER A 37 -1.931 -4.798 -7.548 1.00 0.00 O ATOM 514 CB SER A 37 0.135 -7.023 -8.492 1.00 0.00 C ATOM 515 OG SER A 37 -1.080 -7.559 -8.000 1.00 0.00 O ATOM 0 H SER A 37 0.965 -6.292 -6.276 1.00 0.00 H new ATOM 0 HA SER A 37 1.062 -5.098 -8.723 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.170 -7.128 -9.576 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.975 -7.589 -8.090 1.00 0.00 H new ATOM 0 HG SER A 37 -1.149 -8.502 -8.257 1.00 0.00 H new ATOM 521 N GLY A 38 -1.124 -4.199 -9.560 1.00 0.00 N ATOM 522 CA GLY A 38 -2.324 -3.469 -9.922 1.00 0.00 C ATOM 523 C GLY A 38 -2.292 -2.029 -9.448 1.00 0.00 C ATOM 524 O GLY A 38 -2.943 -1.161 -10.031 1.00 0.00 O ATOM 0 H GLY A 38 -0.390 -4.195 -10.269 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.445 -3.489 -11.005 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.193 -3.970 -9.495 1.00 0.00 H new ATOM 528 N LEU A 39 -1.533 -1.774 -8.387 1.00 0.00 N ATOM 529 CA LEU A 39 -1.420 -0.429 -7.834 1.00 0.00 C ATOM 530 C LEU A 39 -0.198 0.289 -8.398 1.00 0.00 C ATOM 531 O LEU A 39 0.796 -0.343 -8.752 1.00 0.00 O ATOM 532 CB LEU A 39 -1.331 -0.490 -6.308 1.00 0.00 C ATOM 533 CG LEU A 39 -2.456 -1.246 -5.600 1.00 0.00 C ATOM 534 CD1 LEU A 39 -1.967 -1.815 -4.277 1.00 0.00 C ATOM 535 CD2 LEU A 39 -3.655 -0.334 -5.380 1.00 0.00 C ATOM 0 H LEU A 39 -0.987 -2.480 -7.893 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.311 0.131 -8.117 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.382 -0.954 -6.038 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.308 0.530 -5.924 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.767 -2.075 -6.236 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.781 -2.349 -3.788 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.140 -2.502 -4.460 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.629 -1.002 -3.634 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.446 -0.888 -4.875 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.358 0.516 -4.765 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.021 0.025 -6.342 1.00 0.00 H new ATOM 547 N GLU A 40 -0.281 1.615 -8.473 1.00 0.00 N ATOM 548 CA GLU A 40 0.820 2.418 -8.992 1.00 0.00 C ATOM 549 C GLU A 40 1.509 3.187 -7.869 1.00 0.00 C ATOM 550 O GLU A 40 0.885 3.995 -7.180 1.00 0.00 O ATOM 551 CB GLU A 40 0.310 3.395 -10.055 1.00 0.00 C ATOM 552 CG GLU A 40 1.221 4.593 -10.267 1.00 0.00 C ATOM 553 CD GLU A 40 0.869 5.379 -11.515 1.00 0.00 C ATOM 554 OE1 GLU A 40 -0.328 5.675 -11.711 1.00 0.00 O ATOM 555 OE2 GLU A 40 1.790 5.698 -12.295 1.00 0.00 O ATOM 0 H GLU A 40 -1.097 2.154 -8.182 1.00 0.00 H new ATOM 0 HA GLU A 40 1.546 1.743 -9.446 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.196 2.864 -11.000 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.680 3.748 -9.767 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.160 5.250 -9.399 1.00 0.00 H new ATOM 0 HG3 GLU A 40 2.254 4.252 -10.336 1.00 0.00 H new ATOM 562 N ILE A 41 2.801 2.930 -7.689 1.00 0.00 N ATOM 563 CA ILE A 41 3.575 3.597 -6.649 1.00 0.00 C ATOM 564 C ILE A 41 4.653 4.488 -7.255 1.00 0.00 C ATOM 565 O ILE A 41 5.163 4.214 -8.341 1.00 0.00 O ATOM 566 CB ILE A 41 4.237 2.580 -5.700 1.00 0.00 C ATOM 567 CG1 ILE A 41 3.231 1.504 -5.289 1.00 0.00 C ATOM 568 CG2 ILE A 41 4.797 3.286 -4.475 1.00 0.00 C ATOM 569 CD1 ILE A 41 3.848 0.133 -5.121 1.00 0.00 C ATOM 0 H ILE A 41 3.333 2.265 -8.250 1.00 0.00 H new ATOM 0 HA ILE A 41 2.877 4.211 -6.079 1.00 0.00 H new ATOM 0 HB ILE A 41 5.061 2.098 -6.225 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.759 1.798 -4.352 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.443 1.449 -6.040 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.261 2.554 -3.814 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.542 4.018 -4.786 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.990 3.792 -3.946 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.077 -0.580 -4.829 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.296 -0.182 -6.063 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.617 0.172 -4.349 1.00 0.00 H new ATOM 581 N VAL A 42 4.998 5.557 -6.543 1.00 0.00 N ATOM 582 CA VAL A 42 6.019 6.489 -7.008 1.00 0.00 C ATOM 583 C VAL A 42 7.412 5.884 -6.883 1.00 0.00 C ATOM 584 O VAL A 42 7.692 5.086 -5.987 1.00 0.00 O ATOM 585 CB VAL A 42 5.971 7.811 -6.220 1.00 0.00 C ATOM 586 CG1 VAL A 42 4.700 8.581 -6.544 1.00 0.00 C ATOM 587 CG2 VAL A 42 6.078 7.545 -4.726 1.00 0.00 C ATOM 0 H VAL A 42 4.585 5.799 -5.642 1.00 0.00 H new ATOM 0 HA VAL A 42 5.809 6.693 -8.058 1.00 0.00 H new ATOM 0 HB VAL A 42 6.823 8.422 -6.518 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.684 9.512 -5.978 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.672 8.805 -7.610 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.832 7.979 -6.276 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.042 8.490 -4.185 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.248 6.914 -4.409 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.020 7.040 -4.513 1.00 0.00 H new ATOM 597 N PRO A 43 8.310 6.272 -7.800 1.00 0.00 N ATOM 598 CA PRO A 43 9.691 5.781 -7.813 1.00 0.00 C ATOM 599 C PRO A 43 10.508 6.319 -6.643 1.00 0.00 C ATOM 600 O PRO A 43 10.638 7.530 -6.469 1.00 0.00 O ATOM 601 CB PRO A 43 10.244 6.311 -9.139 1.00 0.00 C ATOM 602 CG PRO A 43 9.417 7.513 -9.440 1.00 0.00 C ATOM 603 CD PRO A 43 8.047 7.220 -8.895 1.00 0.00 C ATOM 0 HA PRO A 43 9.739 4.696 -7.719 1.00 0.00 H new ATOM 0 HB2 PRO A 43 11.300 6.568 -9.053 1.00 0.00 H new ATOM 0 HB3 PRO A 43 10.161 5.565 -9.929 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.840 8.404 -8.975 1.00 0.00 H new ATOM 0 HG3 PRO A 43 9.378 7.701 -10.513 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.556 8.124 -8.534 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.397 6.786 -9.655 1.00 0.00 H new ATOM 611 N ASN A 44 11.058 5.411 -5.843 1.00 0.00 N ATOM 612 CA ASN A 44 11.863 5.795 -4.690 1.00 0.00 C ATOM 613 C ASN A 44 10.975 6.230 -3.528 1.00 0.00 C ATOM 614 O ASN A 44 11.410 6.964 -2.641 1.00 0.00 O ATOM 615 CB ASN A 44 12.823 6.926 -5.065 1.00 0.00 C ATOM 616 CG ASN A 44 14.075 6.928 -4.209 1.00 0.00 C ATOM 617 OD1 ASN A 44 14.145 6.241 -3.190 1.00 0.00 O ATOM 618 ND2 ASN A 44 15.070 7.704 -4.620 1.00 0.00 N ATOM 0 H ASN A 44 10.961 4.404 -5.973 1.00 0.00 H new ATOM 0 HA ASN A 44 12.442 4.926 -4.377 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.103 6.829 -6.114 1.00 0.00 H new ATOM 0 HB3 ASN A 44 12.312 7.883 -4.959 1.00 0.00 H new ATOM 0 HD21 ASN A 44 15.937 7.748 -4.085 1.00 0.00 H new ATOM 0 HD22 ASN A 44 14.968 8.257 -5.471 1.00 0.00 H new ATOM 625 N GLY A 45 9.727 5.771 -3.539 1.00 0.00 N ATOM 626 CA GLY A 45 8.797 6.123 -2.482 1.00 0.00 C ATOM 627 C GLY A 45 8.626 5.011 -1.466 1.00 0.00 C ATOM 628 O GLY A 45 7.533 4.804 -0.941 1.00 0.00 O ATOM 0 H GLY A 45 9.344 5.161 -4.261 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.150 7.022 -1.976 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.828 6.363 -2.920 1.00 0.00 H new ATOM 632 N MET A 46 9.711 4.293 -1.190 1.00 0.00 N ATOM 633 CA MET A 46 9.675 3.195 -0.230 1.00 0.00 C ATOM 634 C MET A 46 10.774 3.352 0.816 1.00 0.00 C ATOM 635 O MET A 46 11.900 3.734 0.496 1.00 0.00 O ATOM 636 CB MET A 46 9.828 1.855 -0.952 1.00 0.00 C ATOM 637 CG MET A 46 8.806 1.638 -2.055 1.00 0.00 C ATOM 638 SD MET A 46 9.465 2.002 -3.693 1.00 0.00 S ATOM 639 CE MET A 46 8.525 0.856 -4.699 1.00 0.00 C ATOM 0 H MET A 46 10.624 4.452 -1.617 1.00 0.00 H new ATOM 0 HA MET A 46 8.710 3.218 0.277 1.00 0.00 H new ATOM 0 HB2 MET A 46 10.829 1.794 -1.379 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.742 1.048 -0.224 1.00 0.00 H new ATOM 0 HG2 MET A 46 8.462 0.604 -2.028 1.00 0.00 H new ATOM 0 HG3 MET A 46 7.937 2.269 -1.869 1.00 0.00 H new ATOM 0 HE1 MET A 46 8.982 0.778 -5.686 1.00 0.00 H new ATOM 0 HE2 MET A 46 8.519 -0.125 -4.224 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.501 1.216 -4.801 1.00 0.00 H new ATOM 649 N THR A 47 10.440 3.055 2.068 1.00 0.00 N ATOM 650 CA THR A 47 11.397 3.164 3.161 1.00 0.00 C ATOM 651 C THR A 47 11.441 1.882 3.984 1.00 0.00 C ATOM 652 O THR A 47 10.406 1.382 4.429 1.00 0.00 O ATOM 653 CB THR A 47 11.058 4.345 4.089 1.00 0.00 C ATOM 654 OG1 THR A 47 11.195 5.581 3.379 1.00 0.00 O ATOM 655 CG2 THR A 47 11.966 4.352 5.310 1.00 0.00 C ATOM 0 H THR A 47 9.513 2.737 2.350 1.00 0.00 H new ATOM 0 HA THR A 47 12.374 3.336 2.709 1.00 0.00 H new ATOM 0 HB THR A 47 10.027 4.231 4.424 1.00 0.00 H new ATOM 0 HG1 THR A 47 10.976 6.327 3.976 1.00 0.00 H new ATOM 0 HG21 THR A 47 11.708 5.195 5.951 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.838 3.422 5.864 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.004 4.444 4.991 1.00 0.00 H new ATOM 663 N LEU A 48 12.643 1.353 4.185 1.00 0.00 N ATOM 664 CA LEU A 48 12.822 0.129 4.956 1.00 0.00 C ATOM 665 C LEU A 48 13.946 0.285 5.975 1.00 0.00 C ATOM 666 O LEU A 48 15.121 0.074 5.677 1.00 0.00 O ATOM 667 CB LEU A 48 13.123 -1.046 4.024 1.00 0.00 C ATOM 668 CG LEU A 48 11.942 -1.957 3.687 1.00 0.00 C ATOM 669 CD1 LEU A 48 11.754 -2.054 2.181 1.00 0.00 C ATOM 670 CD2 LEU A 48 12.146 -3.338 4.291 1.00 0.00 C ATOM 0 H LEU A 48 13.509 1.754 3.824 1.00 0.00 H new ATOM 0 HA LEU A 48 11.895 -0.070 5.493 1.00 0.00 H new ATOM 0 HB2 LEU A 48 13.528 -0.650 3.093 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.906 -1.653 4.479 1.00 0.00 H new ATOM 0 HG LEU A 48 11.039 -1.523 4.117 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.909 -2.707 1.961 1.00 0.00 H new ATOM 0 HD12 LEU A 48 11.562 -1.061 1.774 1.00 0.00 H new ATOM 0 HD13 LEU A 48 12.656 -2.464 1.727 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.296 -3.973 4.041 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.059 -3.779 3.891 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.229 -3.253 5.374 1.00 0.00 H new ATOM 682 N PRO A 49 13.579 0.663 7.208 1.00 0.00 N ATOM 683 CA PRO A 49 14.540 0.854 8.297 1.00 0.00 C ATOM 684 C PRO A 49 15.145 -0.462 8.774 1.00 0.00 C ATOM 685 O PRO A 49 14.747 -1.538 8.327 1.00 0.00 O ATOM 686 CB PRO A 49 13.700 1.490 9.407 1.00 0.00 C ATOM 687 CG PRO A 49 12.307 1.041 9.131 1.00 0.00 C ATOM 688 CD PRO A 49 12.195 0.933 7.634 1.00 0.00 C ATOM 0 HA PRO A 49 15.390 1.462 7.987 1.00 0.00 H new ATOM 0 HB2 PRO A 49 14.033 1.164 10.392 1.00 0.00 H new ATOM 0 HB3 PRO A 49 13.777 2.577 9.388 1.00 0.00 H new ATOM 0 HG2 PRO A 49 12.105 0.082 9.608 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.582 1.753 9.526 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.519 0.130 7.338 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.810 1.852 7.192 1.00 0.00 H new ATOM 696 N VAL A 50 16.108 -0.370 9.686 1.00 0.00 N ATOM 697 CA VAL A 50 16.766 -1.554 10.226 1.00 0.00 C ATOM 698 C VAL A 50 17.196 -1.333 11.672 1.00 0.00 C ATOM 699 O VAL A 50 17.037 -0.241 12.218 1.00 0.00 O ATOM 700 CB VAL A 50 17.998 -1.942 9.388 1.00 0.00 C ATOM 701 CG1 VAL A 50 17.573 -2.520 8.047 1.00 0.00 C ATOM 702 CG2 VAL A 50 18.909 -0.739 9.194 1.00 0.00 C ATOM 0 H VAL A 50 16.450 0.513 10.066 1.00 0.00 H new ATOM 0 HA VAL A 50 16.039 -2.366 10.187 1.00 0.00 H new ATOM 0 HB VAL A 50 18.555 -2.709 9.926 1.00 0.00 H new ATOM 0 HG11 VAL A 50 18.458 -2.788 7.469 1.00 0.00 H new ATOM 0 HG12 VAL A 50 16.963 -3.409 8.211 1.00 0.00 H new ATOM 0 HG13 VAL A 50 16.993 -1.778 7.498 1.00 0.00 H new ATOM 0 HG21 VAL A 50 19.775 -1.030 8.600 1.00 0.00 H new ATOM 0 HG22 VAL A 50 18.364 0.051 8.678 1.00 0.00 H new ATOM 0 HG23 VAL A 50 19.242 -0.374 10.166 1.00 0.00 H new ATOM 803 N THR A 57 13.599 -4.400 10.542 1.00 0.00 N ATOM 804 CA THR A 57 12.789 -4.278 11.747 1.00 0.00 C ATOM 805 C THR A 57 11.363 -4.758 11.503 1.00 0.00 C ATOM 806 O THR A 57 10.472 -4.534 12.322 1.00 0.00 O ATOM 807 CB THR A 57 12.749 -2.823 12.252 1.00 0.00 C ATOM 808 OG1 THR A 57 12.157 -1.976 11.260 1.00 0.00 O ATOM 809 CG2 THR A 57 14.149 -2.326 12.581 1.00 0.00 C ATOM 0 HA THR A 57 13.256 -4.906 12.506 1.00 0.00 H new ATOM 0 HB THR A 57 12.147 -2.793 13.160 1.00 0.00 H new ATOM 0 HG1 THR A 57 12.311 -2.357 10.370 1.00 0.00 H new ATOM 0 HG21 THR A 57 14.096 -1.297 12.935 1.00 0.00 H new ATOM 0 HG22 THR A 57 14.585 -2.955 13.357 1.00 0.00 H new ATOM 0 HG23 THR A 57 14.770 -2.370 11.686 1.00 0.00 H new ATOM 817 N GLY A 58 11.152 -5.422 10.369 1.00 0.00 N ATOM 818 CA GLY A 58 9.832 -5.923 10.038 1.00 0.00 C ATOM 819 C GLY A 58 8.847 -4.811 9.738 1.00 0.00 C ATOM 820 O GLY A 58 7.636 -5.025 9.756 1.00 0.00 O ATOM 0 H GLY A 58 11.872 -5.621 9.675 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.904 -6.583 9.174 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.456 -6.523 10.867 1.00 0.00 H new ATOM 824 N GLU A 59 9.369 -3.620 9.462 1.00 0.00 N ATOM 825 CA GLU A 59 8.526 -2.470 9.159 1.00 0.00 C ATOM 826 C GLU A 59 8.982 -1.784 7.874 1.00 0.00 C ATOM 827 O GLU A 59 10.171 -1.768 7.555 1.00 0.00 O ATOM 828 CB GLU A 59 8.550 -1.472 10.318 1.00 0.00 C ATOM 829 CG GLU A 59 7.757 -1.931 11.531 1.00 0.00 C ATOM 830 CD GLU A 59 8.165 -1.209 12.801 1.00 0.00 C ATOM 831 OE1 GLU A 59 9.384 -1.095 13.053 1.00 0.00 O ATOM 832 OE2 GLU A 59 7.267 -0.757 13.542 1.00 0.00 O ATOM 0 H GLU A 59 10.370 -3.427 9.442 1.00 0.00 H new ATOM 0 HA GLU A 59 7.506 -2.828 9.018 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.584 -1.297 10.615 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.152 -0.518 9.973 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.695 -1.767 11.349 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.896 -3.004 11.667 1.00 0.00 H new ATOM 839 N ALA A 60 8.030 -1.218 7.141 1.00 0.00 N ATOM 840 CA ALA A 60 8.334 -0.529 5.892 1.00 0.00 C ATOM 841 C ALA A 60 7.230 0.458 5.528 1.00 0.00 C ATOM 842 O ALA A 60 6.057 0.230 5.823 1.00 0.00 O ATOM 843 CB ALA A 60 8.536 -1.536 4.770 1.00 0.00 C ATOM 0 H ALA A 60 7.041 -1.223 7.390 1.00 0.00 H new ATOM 0 HA ALA A 60 9.257 0.034 6.030 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.762 -1.008 3.844 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.364 -2.199 5.021 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.627 -2.123 4.640 1.00 0.00 H new ATOM 849 N PHE A 61 7.614 1.556 4.885 1.00 0.00 N ATOM 850 CA PHE A 61 6.657 2.580 4.482 1.00 0.00 C ATOM 851 C PHE A 61 6.630 2.731 2.963 1.00 0.00 C ATOM 852 O PHE A 61 7.675 2.813 2.318 1.00 0.00 O ATOM 853 CB PHE A 61 7.006 3.920 5.133 1.00 0.00 C ATOM 854 CG PHE A 61 7.042 3.866 6.633 1.00 0.00 C ATOM 855 CD1 PHE A 61 5.886 4.056 7.374 1.00 0.00 C ATOM 856 CD2 PHE A 61 8.231 3.626 7.303 1.00 0.00 C ATOM 857 CE1 PHE A 61 5.916 4.006 8.756 1.00 0.00 C ATOM 858 CE2 PHE A 61 8.266 3.575 8.684 1.00 0.00 C ATOM 859 CZ PHE A 61 7.107 3.766 9.410 1.00 0.00 C ATOM 0 H PHE A 61 8.581 1.759 4.632 1.00 0.00 H new ATOM 0 HA PHE A 61 5.667 2.269 4.817 1.00 0.00 H new ATOM 0 HB2 PHE A 61 7.977 4.251 4.766 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.276 4.667 4.822 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.952 4.245 6.867 1.00 0.00 H new ATOM 0 HD2 PHE A 61 9.141 3.477 6.740 1.00 0.00 H new ATOM 0 HE1 PHE A 61 5.008 4.155 9.322 1.00 0.00 H new ATOM 0 HE2 PHE A 61 9.199 3.386 9.195 1.00 0.00 H new ATOM 0 HZ PHE A 61 7.133 3.728 10.489 1.00 0.00 H new ATOM 869 N VAL A 62 5.427 2.768 2.400 1.00 0.00 N ATOM 870 CA VAL A 62 5.262 2.909 0.958 1.00 0.00 C ATOM 871 C VAL A 62 4.465 4.163 0.616 1.00 0.00 C ATOM 872 O VAL A 62 3.538 4.535 1.336 1.00 0.00 O ATOM 873 CB VAL A 62 4.555 1.682 0.351 1.00 0.00 C ATOM 874 CG1 VAL A 62 4.487 1.801 -1.165 1.00 0.00 C ATOM 875 CG2 VAL A 62 5.264 0.402 0.762 1.00 0.00 C ATOM 0 H VAL A 62 4.552 2.702 2.920 1.00 0.00 H new ATOM 0 HA VAL A 62 6.262 2.990 0.531 1.00 0.00 H new ATOM 0 HB VAL A 62 3.535 1.645 0.735 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.985 0.926 -1.577 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.931 2.699 -1.435 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.497 1.864 -1.571 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.751 -0.455 0.324 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.295 0.427 0.408 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.255 0.314 1.848 1.00 0.00 H new ATOM 885 N GLN A 63 4.831 4.809 -0.486 1.00 0.00 N ATOM 886 CA GLN A 63 4.149 6.021 -0.923 1.00 0.00 C ATOM 887 C GLN A 63 3.466 5.807 -2.269 1.00 0.00 C ATOM 888 O GLN A 63 4.125 5.729 -3.306 1.00 0.00 O ATOM 889 CB GLN A 63 5.141 7.182 -1.020 1.00 0.00 C ATOM 890 CG GLN A 63 4.498 8.498 -1.431 1.00 0.00 C ATOM 891 CD GLN A 63 5.517 9.597 -1.662 1.00 0.00 C ATOM 892 OE1 GLN A 63 6.704 9.427 -1.383 1.00 0.00 O ATOM 893 NE2 GLN A 63 5.058 10.732 -2.175 1.00 0.00 N ATOM 0 H GLN A 63 5.596 4.513 -1.093 1.00 0.00 H new ATOM 0 HA GLN A 63 3.386 6.264 -0.184 1.00 0.00 H new ATOM 0 HB2 GLN A 63 5.631 7.312 -0.055 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.918 6.926 -1.740 1.00 0.00 H new ATOM 0 HG2 GLN A 63 3.919 8.347 -2.342 1.00 0.00 H new ATOM 0 HG3 GLN A 63 3.798 8.813 -0.657 1.00 0.00 H new ATOM 0 HE21 GLN A 63 4.066 10.830 -2.391 1.00 0.00 H new ATOM 0 HE22 GLN A 63 5.697 11.507 -2.353 1.00 0.00 H new ATOM 902 N PHE A 64 2.141 5.711 -2.246 1.00 0.00 N ATOM 903 CA PHE A 64 1.368 5.503 -3.465 1.00 0.00 C ATOM 904 C PHE A 64 1.235 6.804 -4.252 1.00 0.00 C ATOM 905 O PHE A 64 1.384 7.894 -3.701 1.00 0.00 O ATOM 906 CB PHE A 64 -0.020 4.956 -3.127 1.00 0.00 C ATOM 907 CG PHE A 64 -0.029 3.481 -2.837 1.00 0.00 C ATOM 908 CD1 PHE A 64 0.232 2.564 -3.842 1.00 0.00 C ATOM 909 CD2 PHE A 64 -0.298 3.014 -1.561 1.00 0.00 C ATOM 910 CE1 PHE A 64 0.225 1.207 -3.579 1.00 0.00 C ATOM 911 CE2 PHE A 64 -0.306 1.659 -1.292 1.00 0.00 C ATOM 912 CZ PHE A 64 -0.045 0.754 -2.303 1.00 0.00 C ATOM 0 H PHE A 64 1.580 5.774 -1.397 1.00 0.00 H new ATOM 0 HA PHE A 64 1.897 4.777 -4.082 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -0.412 5.491 -2.262 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.694 5.159 -3.959 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.443 2.913 -4.842 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.504 3.717 -0.767 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.431 0.502 -4.371 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.516 1.307 -0.293 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.052 -0.306 -2.095 1.00 0.00 H new ATOM 922 N ALA A 65 0.956 6.679 -5.546 1.00 0.00 N ATOM 923 CA ALA A 65 0.802 7.843 -6.410 1.00 0.00 C ATOM 924 C ALA A 65 -0.204 8.830 -5.828 1.00 0.00 C ATOM 925 O ALA A 65 -0.059 10.043 -5.984 1.00 0.00 O ATOM 926 CB ALA A 65 0.375 7.412 -7.805 1.00 0.00 C ATOM 0 H ALA A 65 0.832 5.784 -6.018 1.00 0.00 H new ATOM 0 HA ALA A 65 1.767 8.345 -6.476 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.264 8.291 -8.439 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.131 6.752 -8.229 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -0.577 6.884 -7.747 1.00 0.00 H new ATOM 932 N SER A 66 -1.222 8.303 -5.156 1.00 0.00 N ATOM 933 CA SER A 66 -2.256 9.138 -4.554 1.00 0.00 C ATOM 934 C SER A 66 -3.025 8.366 -3.487 1.00 0.00 C ATOM 935 O SER A 66 -2.916 7.143 -3.391 1.00 0.00 O ATOM 936 CB SER A 66 -3.220 9.646 -5.627 1.00 0.00 C ATOM 937 OG SER A 66 -4.029 10.697 -5.130 1.00 0.00 O ATOM 0 H SER A 66 -1.353 7.301 -5.014 1.00 0.00 H new ATOM 0 HA SER A 66 -1.769 9.991 -4.080 1.00 0.00 H new ATOM 0 HB2 SER A 66 -2.655 9.995 -6.491 1.00 0.00 H new ATOM 0 HB3 SER A 66 -3.852 8.827 -5.969 1.00 0.00 H new ATOM 0 HG SER A 66 -4.635 11.005 -5.836 1.00 0.00 H new ATOM 943 N GLN A 67 -3.802 9.088 -2.687 1.00 0.00 N ATOM 944 CA GLN A 67 -4.589 8.471 -1.626 1.00 0.00 C ATOM 945 C GLN A 67 -5.545 7.428 -2.194 1.00 0.00 C ATOM 946 O GLN A 67 -5.670 6.328 -1.655 1.00 0.00 O ATOM 947 CB GLN A 67 -5.376 9.538 -0.861 1.00 0.00 C ATOM 948 CG GLN A 67 -5.704 9.141 0.570 1.00 0.00 C ATOM 949 CD GLN A 67 -7.047 8.448 0.690 1.00 0.00 C ATOM 950 OE1 GLN A 67 -7.715 8.186 -0.311 1.00 0.00 O ATOM 951 NE2 GLN A 67 -7.453 8.149 1.918 1.00 0.00 N ATOM 0 H GLN A 67 -3.904 10.101 -2.753 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.903 7.973 -0.941 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -4.801 10.464 -0.850 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -6.304 9.745 -1.394 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -4.924 8.480 0.948 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -5.701 10.031 1.200 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -6.868 8.384 2.720 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -8.350 7.684 2.060 1.00 0.00 H new ATOM 960 N GLU A 68 -6.219 7.780 -3.285 1.00 0.00 N ATOM 961 CA GLU A 68 -7.164 6.873 -3.924 1.00 0.00 C ATOM 962 C GLU A 68 -6.533 5.504 -4.157 1.00 0.00 C ATOM 963 O GLU A 68 -7.190 4.473 -4.010 1.00 0.00 O ATOM 964 CB GLU A 68 -7.646 7.458 -5.255 1.00 0.00 C ATOM 965 CG GLU A 68 -6.539 8.101 -6.073 1.00 0.00 C ATOM 966 CD GLU A 68 -6.781 7.997 -7.566 1.00 0.00 C ATOM 967 OE1 GLU A 68 -7.788 8.560 -8.044 1.00 0.00 O ATOM 968 OE2 GLU A 68 -5.965 7.352 -8.256 1.00 0.00 O ATOM 0 H GLU A 68 -6.128 8.686 -3.744 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.018 6.751 -3.258 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.109 6.666 -5.844 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.419 8.201 -5.057 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.451 9.151 -5.795 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.589 7.626 -5.829 1.00 0.00 H new ATOM 975 N ILE A 69 -5.255 5.502 -4.520 1.00 0.00 N ATOM 976 CA ILE A 69 -4.534 4.261 -4.773 1.00 0.00 C ATOM 977 C ILE A 69 -4.117 3.593 -3.467 1.00 0.00 C ATOM 978 O ILE A 69 -3.951 2.374 -3.406 1.00 0.00 O ATOM 979 CB ILE A 69 -3.282 4.503 -5.635 1.00 0.00 C ATOM 980 CG1 ILE A 69 -3.684 4.880 -7.062 1.00 0.00 C ATOM 981 CG2 ILE A 69 -2.395 3.266 -5.639 1.00 0.00 C ATOM 982 CD1 ILE A 69 -2.513 5.279 -7.934 1.00 0.00 C ATOM 0 H ILE A 69 -4.697 6.347 -4.646 1.00 0.00 H new ATOM 0 HA ILE A 69 -5.215 3.604 -5.314 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.717 5.331 -5.206 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.198 4.035 -7.521 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.396 5.704 -7.025 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.514 3.452 -6.253 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.085 3.037 -4.619 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.950 2.422 -6.048 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.872 5.533 -8.931 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.012 6.143 -7.497 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.810 4.448 -8.002 1.00 0.00 H new ATOM 994 N ALA A 70 -3.951 4.397 -2.423 1.00 0.00 N ATOM 995 CA ALA A 70 -3.558 3.884 -1.117 1.00 0.00 C ATOM 996 C ALA A 70 -4.661 3.024 -0.509 1.00 0.00 C ATOM 997 O ALA A 70 -4.397 1.948 0.026 1.00 0.00 O ATOM 998 CB ALA A 70 -3.207 5.032 -0.181 1.00 0.00 C ATOM 0 H ALA A 70 -4.083 5.408 -2.456 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.677 3.257 -1.253 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.915 4.633 0.791 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.380 5.604 -0.601 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.074 5.682 -0.061 1.00 0.00 H new ATOM 1004 N GLU A 71 -5.897 3.506 -0.596 1.00 0.00 N ATOM 1005 CA GLU A 71 -7.039 2.780 -0.054 1.00 0.00 C ATOM 1006 C GLU A 71 -7.148 1.392 -0.677 1.00 0.00 C ATOM 1007 O GLU A 71 -7.407 0.407 0.015 1.00 0.00 O ATOM 1008 CB GLU A 71 -8.332 3.563 -0.298 1.00 0.00 C ATOM 1009 CG GLU A 71 -8.547 4.703 0.683 1.00 0.00 C ATOM 1010 CD GLU A 71 -10.008 4.898 1.038 1.00 0.00 C ATOM 1011 OE1 GLU A 71 -10.846 4.924 0.113 1.00 0.00 O ATOM 1012 OE2 GLU A 71 -10.314 5.026 2.242 1.00 0.00 O ATOM 0 H GLU A 71 -6.133 4.395 -1.036 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.888 2.666 1.019 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -8.318 3.964 -1.311 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -9.178 2.879 -0.238 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.979 4.507 1.592 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -8.155 5.625 0.254 1.00 0.00 H new ATOM 1019 N LYS A 72 -6.948 1.321 -1.989 1.00 0.00 N ATOM 1020 CA LYS A 72 -7.021 0.054 -2.706 1.00 0.00 C ATOM 1021 C LYS A 72 -6.039 -0.959 -2.126 1.00 0.00 C ATOM 1022 O LYS A 72 -6.332 -2.152 -2.058 1.00 0.00 O ATOM 1023 CB LYS A 72 -6.729 0.269 -4.194 1.00 0.00 C ATOM 1024 CG LYS A 72 -7.632 1.302 -4.847 1.00 0.00 C ATOM 1025 CD LYS A 72 -7.704 1.107 -6.352 1.00 0.00 C ATOM 1026 CE LYS A 72 -6.762 2.053 -7.083 1.00 0.00 C ATOM 1027 NZ LYS A 72 -7.119 2.188 -8.522 1.00 0.00 N ATOM 0 H LYS A 72 -6.734 2.126 -2.577 1.00 0.00 H new ATOM 0 HA LYS A 72 -8.031 -0.340 -2.592 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.691 0.580 -4.311 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.838 -0.680 -4.718 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.633 1.232 -4.422 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.261 2.303 -4.626 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.450 0.076 -6.599 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.726 1.274 -6.693 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.791 3.034 -6.608 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.739 1.687 -6.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.454 2.840 -8.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.067 1.257 -8.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.086 2.562 -8.606 1.00 0.00 H new ATOM 1041 N ALA A 73 -4.874 -0.473 -1.710 1.00 0.00 N ATOM 1042 CA ALA A 73 -3.850 -1.336 -1.132 1.00 0.00 C ATOM 1043 C ALA A 73 -4.176 -1.678 0.318 1.00 0.00 C ATOM 1044 O ALA A 73 -3.804 -2.743 0.814 1.00 0.00 O ATOM 1045 CB ALA A 73 -2.486 -0.671 -1.225 1.00 0.00 C ATOM 0 H ALA A 73 -4.616 0.512 -1.762 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.828 -2.265 -1.702 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.731 -1.326 -0.790 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.244 -0.483 -2.271 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.504 0.273 -0.681 1.00 0.00 H new ATOM 1051 N LEU A 74 -4.872 -0.771 0.994 1.00 0.00 N ATOM 1052 CA LEU A 74 -5.246 -0.977 2.389 1.00 0.00 C ATOM 1053 C LEU A 74 -5.992 -2.296 2.563 1.00 0.00 C ATOM 1054 O LEU A 74 -5.799 -3.004 3.551 1.00 0.00 O ATOM 1055 CB LEU A 74 -6.116 0.182 2.881 1.00 0.00 C ATOM 1056 CG LEU A 74 -5.408 1.237 3.732 1.00 0.00 C ATOM 1057 CD1 LEU A 74 -6.350 2.390 4.045 1.00 0.00 C ATOM 1058 CD2 LEU A 74 -4.877 0.616 5.016 1.00 0.00 C ATOM 0 H LEU A 74 -5.189 0.114 0.599 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.333 -1.015 2.983 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.552 0.677 2.013 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.941 -0.230 3.461 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.564 1.629 3.164 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.829 3.131 4.651 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.683 2.851 3.115 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.214 2.015 4.593 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.376 1.381 5.610 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.705 0.198 5.588 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.169 -0.176 4.771 1.00 0.00 H new ATOM 1070 N LYS A 75 -6.842 -2.622 1.595 1.00 0.00 N ATOM 1071 CA LYS A 75 -7.614 -3.858 1.638 1.00 0.00 C ATOM 1072 C LYS A 75 -6.693 -5.074 1.649 1.00 0.00 C ATOM 1073 O LYS A 75 -7.120 -6.185 1.967 1.00 0.00 O ATOM 1074 CB LYS A 75 -8.562 -3.933 0.439 1.00 0.00 C ATOM 1075 CG LYS A 75 -9.506 -2.747 0.335 1.00 0.00 C ATOM 1076 CD LYS A 75 -10.870 -3.068 0.921 1.00 0.00 C ATOM 1077 CE LYS A 75 -11.984 -2.372 0.154 1.00 0.00 C ATOM 1078 NZ LYS A 75 -12.520 -3.227 -0.942 1.00 0.00 N ATOM 0 H LYS A 75 -7.014 -2.047 0.770 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.200 -3.860 2.557 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.973 -3.999 -0.476 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.149 -4.849 0.507 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.077 -1.892 0.857 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.617 -2.459 -0.711 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.031 -4.146 0.901 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.900 -2.761 1.966 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.790 -2.113 0.840 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.609 -1.438 -0.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.277 -2.718 -1.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.756 -3.454 -1.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.901 -4.107 -0.541 1.00 0.00 H new ATOM 1092 N LYS A 76 -5.430 -4.857 1.302 1.00 0.00 N ATOM 1093 CA LYS A 76 -4.448 -5.935 1.274 1.00 0.00 C ATOM 1094 C LYS A 76 -3.797 -6.113 2.642 1.00 0.00 C ATOM 1095 O LYS A 76 -2.619 -6.461 2.739 1.00 0.00 O ATOM 1096 CB LYS A 76 -3.375 -5.648 0.221 1.00 0.00 C ATOM 1097 CG LYS A 76 -3.941 -5.219 -1.122 1.00 0.00 C ATOM 1098 CD LYS A 76 -2.858 -4.666 -2.033 1.00 0.00 C ATOM 1099 CE LYS A 76 -2.040 -5.782 -2.666 1.00 0.00 C ATOM 1100 NZ LYS A 76 -2.257 -5.862 -4.138 1.00 0.00 N ATOM 0 H LYS A 76 -5.061 -3.944 1.036 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.966 -6.858 1.014 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -2.712 -4.867 0.593 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.767 -6.542 0.081 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.423 -6.070 -1.603 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -4.710 -4.462 -0.969 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.314 -4.059 -2.815 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.201 -4.010 -1.462 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.982 -5.617 -2.463 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.308 -6.734 -2.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.683 -6.634 -4.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -3.262 -6.045 -4.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.978 -4.963 -4.579 1.00 0.00 H new ATOM 1114 N HIS A 77 -4.570 -5.874 3.696 1.00 0.00 N ATOM 1115 CA HIS A 77 -4.068 -6.010 5.060 1.00 0.00 C ATOM 1116 C HIS A 77 -3.963 -7.480 5.455 1.00 0.00 C ATOM 1117 O HIS A 77 -4.741 -8.316 4.993 1.00 0.00 O ATOM 1118 CB HIS A 77 -4.981 -5.271 6.038 1.00 0.00 C ATOM 1119 CG HIS A 77 -4.806 -5.700 7.462 1.00 0.00 C ATOM 1120 ND1 HIS A 77 -3.974 -5.047 8.347 1.00 0.00 N ATOM 1121 CD2 HIS A 77 -5.363 -6.721 8.154 1.00 0.00 C ATOM 1122 CE1 HIS A 77 -4.025 -5.650 9.521 1.00 0.00 C ATOM 1123 NE2 HIS A 77 -4.861 -6.669 9.431 1.00 0.00 N ATOM 0 H HIS A 77 -5.546 -5.585 3.633 1.00 0.00 H new ATOM 0 HA HIS A 77 -3.072 -5.569 5.101 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -4.789 -4.201 5.963 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -6.019 -5.430 5.744 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -6.071 -7.442 7.773 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -3.476 -5.359 10.405 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -5.095 -7.312 10.187 1.00 0.00 H new ATOM 1131 N LYS A 78 -2.997 -7.790 6.313 1.00 0.00 N ATOM 1132 CA LYS A 78 -2.789 -9.157 6.772 1.00 0.00 C ATOM 1133 C LYS A 78 -2.339 -10.054 5.623 1.00 0.00 C ATOM 1134 O LYS A 78 -2.238 -11.271 5.778 1.00 0.00 O ATOM 1135 CB LYS A 78 -4.075 -9.710 7.390 1.00 0.00 C ATOM 1136 CG LYS A 78 -4.037 -9.787 8.906 1.00 0.00 C ATOM 1137 CD LYS A 78 -2.986 -10.774 9.388 1.00 0.00 C ATOM 1138 CE LYS A 78 -3.057 -10.971 10.895 1.00 0.00 C ATOM 1139 NZ LYS A 78 -1.702 -11.111 11.499 1.00 0.00 N ATOM 0 H LYS A 78 -2.345 -7.111 6.705 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.005 -9.144 7.529 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.913 -9.082 7.087 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.262 -10.706 6.989 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.825 -8.800 9.316 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.016 -10.085 9.281 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.128 -11.732 8.888 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.994 -10.415 9.113 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.571 -10.124 11.349 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.648 -11.859 11.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.792 -11.243 12.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.221 -11.934 11.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.146 -10.253 11.308 1.00 0.00 H new ATOM 1153 N GLU A 79 -2.067 -9.445 4.474 1.00 0.00 N ATOM 1154 CA GLU A 79 -1.627 -10.189 3.299 1.00 0.00 C ATOM 1155 C GLU A 79 -0.207 -10.716 3.491 1.00 0.00 C ATOM 1156 O GLU A 79 0.747 -9.942 3.572 1.00 0.00 O ATOM 1157 CB GLU A 79 -1.692 -9.305 2.053 1.00 0.00 C ATOM 1158 CG GLU A 79 -3.104 -9.082 1.537 1.00 0.00 C ATOM 1159 CD GLU A 79 -3.393 -9.868 0.273 1.00 0.00 C ATOM 1160 OE1 GLU A 79 -3.742 -11.061 0.383 1.00 0.00 O ATOM 1161 OE2 GLU A 79 -3.271 -9.288 -0.826 1.00 0.00 O ATOM 0 H GLU A 79 -2.143 -8.438 4.331 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.297 -11.038 3.166 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.240 -8.339 2.279 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.093 -9.760 1.264 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.818 -9.367 2.309 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.252 -8.020 1.342 1.00 0.00 H new ATOM 1168 N ARG A 80 -0.076 -12.036 3.562 1.00 0.00 N ATOM 1169 CA ARG A 80 1.226 -12.666 3.745 1.00 0.00 C ATOM 1170 C ARG A 80 1.980 -12.750 2.421 1.00 0.00 C ATOM 1171 O ARG A 80 1.381 -12.961 1.367 1.00 0.00 O ATOM 1172 CB ARG A 80 1.060 -14.066 4.340 1.00 0.00 C ATOM 1173 CG ARG A 80 0.372 -15.046 3.404 1.00 0.00 C ATOM 1174 CD ARG A 80 1.380 -15.922 2.677 1.00 0.00 C ATOM 1175 NE ARG A 80 1.157 -15.930 1.234 1.00 0.00 N ATOM 1176 CZ ARG A 80 1.829 -16.706 0.390 1.00 0.00 C ATOM 1177 NH1 ARG A 80 2.758 -17.535 0.844 1.00 0.00 N ATOM 1178 NH2 ARG A 80 1.569 -16.655 -0.910 1.00 0.00 N ATOM 0 H ARG A 80 -0.856 -12.690 3.496 1.00 0.00 H new ATOM 0 HA ARG A 80 1.805 -12.052 4.435 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.042 -14.458 4.605 1.00 0.00 H new ATOM 0 HB3 ARG A 80 0.485 -13.994 5.263 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -0.314 -15.674 3.973 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.226 -14.497 2.677 1.00 0.00 H new ATOM 0 HD2 ARG A 80 2.388 -15.565 2.886 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.317 -16.941 3.059 1.00 0.00 H new ATOM 0 HE ARG A 80 0.446 -15.306 0.853 1.00 0.00 H new ATOM 0 HH11 ARG A 80 2.959 -17.578 1.843 1.00 0.00 H new ATOM 0 HH12 ARG A 80 3.272 -18.130 0.194 1.00 0.00 H new ATOM 0 HH21 ARG A 80 0.853 -16.020 -1.262 1.00 0.00 H new ATOM 0 HH22 ARG A 80 2.085 -17.251 -1.557 1.00 0.00 H new ATOM 1192 N ILE A 81 3.296 -12.583 2.486 1.00 0.00 N ATOM 1193 CA ILE A 81 4.132 -12.641 1.292 1.00 0.00 C ATOM 1194 C ILE A 81 5.119 -13.802 1.367 1.00 0.00 C ATOM 1195 O ILE A 81 6.245 -13.643 1.837 1.00 0.00 O ATOM 1196 CB ILE A 81 4.914 -11.330 1.088 1.00 0.00 C ATOM 1197 CG1 ILE A 81 3.948 -10.164 0.864 1.00 0.00 C ATOM 1198 CG2 ILE A 81 5.874 -11.463 -0.085 1.00 0.00 C ATOM 1199 CD1 ILE A 81 4.583 -8.806 1.066 1.00 0.00 C ATOM 0 H ILE A 81 3.807 -12.407 3.351 1.00 0.00 H new ATOM 0 HA ILE A 81 3.462 -12.791 0.445 1.00 0.00 H new ATOM 0 HB ILE A 81 5.496 -11.127 1.987 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.549 -10.223 -0.149 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.104 -10.266 1.546 1.00 0.00 H new ATOM 0 HG21 ILE A 81 6.419 -10.528 -0.217 1.00 0.00 H new ATOM 0 HG22 ILE A 81 6.579 -12.270 0.112 1.00 0.00 H new ATOM 0 HG23 ILE A 81 5.312 -11.686 -0.992 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.841 -8.027 0.891 1.00 0.00 H new ATOM 0 HD12 ILE A 81 4.957 -8.727 2.087 1.00 0.00 H new ATOM 0 HD13 ILE A 81 5.410 -8.683 0.366 1.00 0.00 H new ATOM 1211 N GLY A 82 4.687 -14.969 0.899 1.00 0.00 N ATOM 1212 CA GLY A 82 5.545 -16.139 0.921 1.00 0.00 C ATOM 1213 C GLY A 82 5.292 -17.021 2.127 1.00 0.00 C ATOM 1214 O GLY A 82 5.042 -18.219 1.989 1.00 0.00 O ATOM 0 H GLY A 82 3.759 -15.125 0.505 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.387 -16.719 0.011 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.588 -15.821 0.920 1.00 0.00 H new ATOM 1218 N HIS A 83 5.359 -16.429 3.315 1.00 0.00 N ATOM 1219 CA HIS A 83 5.137 -17.170 4.552 1.00 0.00 C ATOM 1220 C HIS A 83 5.214 -16.244 5.762 1.00 0.00 C ATOM 1221 O HIS A 83 5.830 -16.580 6.774 1.00 0.00 O ATOM 1222 CB HIS A 83 6.162 -18.295 4.690 1.00 0.00 C ATOM 1223 CG HIS A 83 7.522 -17.819 5.098 1.00 0.00 C ATOM 1224 ND1 HIS A 83 8.317 -17.030 4.293 1.00 0.00 N ATOM 1225 CD2 HIS A 83 8.227 -18.024 6.237 1.00 0.00 C ATOM 1226 CE1 HIS A 83 9.452 -16.772 4.918 1.00 0.00 C ATOM 1227 NE2 HIS A 83 9.422 -17.363 6.099 1.00 0.00 N ATOM 0 H HIS A 83 5.565 -15.439 3.448 1.00 0.00 H new ATOM 0 HA HIS A 83 4.138 -17.603 4.511 1.00 0.00 H new ATOM 0 HB2 HIS A 83 5.802 -19.015 5.425 1.00 0.00 H new ATOM 0 HB3 HIS A 83 6.241 -18.822 3.739 1.00 0.00 H new ATOM 0 HD2 HIS A 83 7.908 -18.600 7.093 1.00 0.00 H new ATOM 0 HE1 HIS A 83 10.266 -16.179 4.529 1.00 0.00 H new ATOM 0 HE2 HIS A 83 10.166 -17.333 6.796 1.00 0.00 H new ATOM 1235 N ARG A 84 4.588 -15.077 5.650 1.00 0.00 N ATOM 1236 CA ARG A 84 4.590 -14.102 6.733 1.00 0.00 C ATOM 1237 C ARG A 84 3.521 -13.036 6.507 1.00 0.00 C ATOM 1238 O ARG A 84 3.645 -12.198 5.613 1.00 0.00 O ATOM 1239 CB ARG A 84 5.965 -13.442 6.853 1.00 0.00 C ATOM 1240 CG ARG A 84 6.806 -13.992 7.993 1.00 0.00 C ATOM 1241 CD ARG A 84 6.598 -13.197 9.273 1.00 0.00 C ATOM 1242 NE ARG A 84 7.478 -13.650 10.347 1.00 0.00 N ATOM 1243 CZ ARG A 84 7.368 -13.244 11.607 1.00 0.00 C ATOM 1244 NH1 ARG A 84 6.420 -12.382 11.949 1.00 0.00 N ATOM 1245 NH2 ARG A 84 8.207 -13.700 12.529 1.00 0.00 N ATOM 0 H ARG A 84 4.073 -14.784 4.820 1.00 0.00 H new ATOM 0 HA ARG A 84 4.365 -14.628 7.661 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.506 -13.576 5.916 1.00 0.00 H new ATOM 0 HB3 ARG A 84 5.833 -12.369 6.995 1.00 0.00 H new ATOM 0 HG2 ARG A 84 6.547 -15.037 8.166 1.00 0.00 H new ATOM 0 HG3 ARG A 84 7.860 -13.966 7.715 1.00 0.00 H new ATOM 0 HD2 ARG A 84 6.779 -12.140 9.077 1.00 0.00 H new ATOM 0 HD3 ARG A 84 5.560 -13.288 9.592 1.00 0.00 H new ATOM 0 HE ARG A 84 8.217 -14.314 10.117 1.00 0.00 H new ATOM 0 HH11 ARG A 84 5.773 -12.029 11.244 1.00 0.00 H new ATOM 0 HH12 ARG A 84 6.338 -12.072 12.917 1.00 0.00 H new ATOM 0 HH21 ARG A 84 8.938 -14.363 12.270 1.00 0.00 H new ATOM 0 HH22 ARG A 84 8.121 -13.387 13.496 1.00 0.00 H new ATOM 1259 N TYR A 85 2.473 -13.076 7.321 1.00 0.00 N ATOM 1260 CA TYR A 85 1.380 -12.116 7.208 1.00 0.00 C ATOM 1261 C TYR A 85 1.902 -10.684 7.298 1.00 0.00 C ATOM 1262 O TYR A 85 2.802 -10.389 8.083 1.00 0.00 O ATOM 1263 CB TYR A 85 0.342 -12.362 8.303 1.00 0.00 C ATOM 1264 CG TYR A 85 -0.341 -13.707 8.200 1.00 0.00 C ATOM 1265 CD1 TYR A 85 -1.237 -13.976 7.173 1.00 0.00 C ATOM 1266 CD2 TYR A 85 -0.092 -14.708 9.130 1.00 0.00 C ATOM 1267 CE1 TYR A 85 -1.864 -15.203 7.074 1.00 0.00 C ATOM 1268 CE2 TYR A 85 -0.712 -15.939 9.038 1.00 0.00 C ATOM 1269 CZ TYR A 85 -1.598 -16.182 8.009 1.00 0.00 C ATOM 1270 OH TYR A 85 -2.220 -17.406 7.915 1.00 0.00 O ATOM 0 H TYR A 85 2.356 -13.762 8.066 1.00 0.00 H new ATOM 0 HA TYR A 85 0.910 -12.252 6.234 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.827 -12.284 9.276 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.413 -11.577 8.259 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -1.447 -13.212 6.439 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.598 -14.521 9.939 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -2.558 -15.395 6.269 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -0.504 -16.707 9.768 1.00 0.00 H new ATOM 0 HH TYR A 85 -1.922 -17.982 8.650 1.00 0.00 H new ATOM 1280 N ILE A 86 1.328 -9.801 6.488 1.00 0.00 N ATOM 1281 CA ILE A 86 1.732 -8.401 6.476 1.00 0.00 C ATOM 1282 C ILE A 86 0.601 -7.498 6.955 1.00 0.00 C ATOM 1283 O ILE A 86 -0.506 -7.537 6.420 1.00 0.00 O ATOM 1284 CB ILE A 86 2.170 -7.953 5.068 1.00 0.00 C ATOM 1285 CG1 ILE A 86 3.067 -9.015 4.428 1.00 0.00 C ATOM 1286 CG2 ILE A 86 2.891 -6.616 5.139 1.00 0.00 C ATOM 1287 CD1 ILE A 86 4.503 -8.956 4.899 1.00 0.00 C ATOM 0 H ILE A 86 0.582 -10.030 5.832 1.00 0.00 H new ATOM 0 HA ILE A 86 2.578 -8.311 7.157 1.00 0.00 H new ATOM 0 HB ILE A 86 1.282 -7.832 4.448 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.661 -10.002 4.648 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.043 -8.895 3.345 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.194 -6.313 4.137 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.223 -5.864 5.559 1.00 0.00 H new ATOM 0 HG23 ILE A 86 3.773 -6.712 5.772 1.00 0.00 H new ATOM 0 HD11 ILE A 86 5.081 -9.737 4.404 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.926 -7.982 4.655 1.00 0.00 H new ATOM 0 HD13 ILE A 86 4.539 -9.107 5.978 1.00 0.00 H new ATOM 1299 N GLU A 87 0.888 -6.685 7.966 1.00 0.00 N ATOM 1300 CA GLU A 87 -0.105 -5.771 8.517 1.00 0.00 C ATOM 1301 C GLU A 87 0.080 -4.364 7.958 1.00 0.00 C ATOM 1302 O GLU A 87 1.080 -3.702 8.236 1.00 0.00 O ATOM 1303 CB GLU A 87 -0.013 -5.741 10.045 1.00 0.00 C ATOM 1304 CG GLU A 87 -0.415 -7.049 10.704 1.00 0.00 C ATOM 1305 CD GLU A 87 0.765 -7.785 11.310 1.00 0.00 C ATOM 1306 OE1 GLU A 87 1.370 -7.253 12.264 1.00 0.00 O ATOM 1307 OE2 GLU A 87 1.084 -8.892 10.828 1.00 0.00 O ATOM 0 H GLU A 87 1.800 -6.641 8.420 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.092 -6.132 8.227 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.009 -5.497 10.334 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -0.651 -4.942 10.423 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -1.151 -6.848 11.482 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.898 -7.690 9.966 1.00 0.00 H new ATOM 1314 N ILE A 88 -0.890 -3.915 7.168 1.00 0.00 N ATOM 1315 CA ILE A 88 -0.834 -2.587 6.570 1.00 0.00 C ATOM 1316 C ILE A 88 -1.686 -1.594 7.354 1.00 0.00 C ATOM 1317 O ILE A 88 -2.813 -1.900 7.744 1.00 0.00 O ATOM 1318 CB ILE A 88 -1.308 -2.609 5.105 1.00 0.00 C ATOM 1319 CG1 ILE A 88 -0.411 -3.524 4.269 1.00 0.00 C ATOM 1320 CG2 ILE A 88 -1.319 -1.201 4.531 1.00 0.00 C ATOM 1321 CD1 ILE A 88 -1.172 -4.367 3.269 1.00 0.00 C ATOM 0 H ILE A 88 -1.724 -4.451 6.927 1.00 0.00 H new ATOM 0 HA ILE A 88 0.209 -2.271 6.601 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.324 -3.001 5.074 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.320 -2.915 3.737 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.147 -4.181 4.936 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.656 -1.233 3.495 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.996 -0.576 5.114 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.313 -0.783 4.572 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.473 -4.991 2.712 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.884 -5.002 3.796 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.708 -3.716 2.578 1.00 0.00 H new ATOM 1333 N PHE A 89 -1.141 -0.404 7.580 1.00 0.00 N ATOM 1334 CA PHE A 89 -1.851 0.635 8.316 1.00 0.00 C ATOM 1335 C PHE A 89 -1.564 2.013 7.726 1.00 0.00 C ATOM 1336 O PHE A 89 -0.419 2.464 7.701 1.00 0.00 O ATOM 1337 CB PHE A 89 -1.452 0.607 9.792 1.00 0.00 C ATOM 1338 CG PHE A 89 -1.757 -0.699 10.471 1.00 0.00 C ATOM 1339 CD1 PHE A 89 -3.066 -1.104 10.666 1.00 0.00 C ATOM 1340 CD2 PHE A 89 -0.732 -1.520 10.914 1.00 0.00 C ATOM 1341 CE1 PHE A 89 -3.350 -2.305 11.289 1.00 0.00 C ATOM 1342 CE2 PHE A 89 -1.009 -2.721 11.537 1.00 0.00 C ATOM 1343 CZ PHE A 89 -2.320 -3.114 11.727 1.00 0.00 C ATOM 0 H PHE A 89 -0.209 -0.135 7.264 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.920 0.439 8.232 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.384 0.810 9.875 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.971 1.410 10.316 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.875 -0.474 10.327 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.295 -1.217 10.770 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.376 -2.610 11.433 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.201 -3.353 11.876 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.539 -4.051 12.217 1.00 0.00 H new ATOM 1353 N LYS A 90 -2.613 2.678 7.253 1.00 0.00 N ATOM 1354 CA LYS A 90 -2.476 4.004 6.664 1.00 0.00 C ATOM 1355 C LYS A 90 -1.482 4.850 7.452 1.00 0.00 C ATOM 1356 O LYS A 90 -1.513 4.874 8.683 1.00 0.00 O ATOM 1357 CB LYS A 90 -3.835 4.706 6.617 1.00 0.00 C ATOM 1358 CG LYS A 90 -4.275 5.089 5.213 1.00 0.00 C ATOM 1359 CD LYS A 90 -3.804 6.486 4.844 1.00 0.00 C ATOM 1360 CE LYS A 90 -3.524 6.603 3.353 1.00 0.00 C ATOM 1361 NZ LYS A 90 -3.018 7.955 2.989 1.00 0.00 N ATOM 0 H LYS A 90 -3.568 2.319 7.266 1.00 0.00 H new ATOM 0 HA LYS A 90 -2.099 3.886 5.648 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -4.587 4.053 7.059 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.792 5.604 7.233 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -3.878 4.369 4.497 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -5.362 5.040 5.145 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.562 7.215 5.131 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.901 6.727 5.405 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.792 5.850 3.061 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -4.436 6.394 2.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -3.293 8.177 2.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -3.426 8.663 3.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.981 7.971 3.069 1.00 0.00 H new ATOM 1375 N SER A 91 -0.603 5.544 6.736 1.00 0.00 N ATOM 1376 CA SER A 91 0.402 6.389 7.370 1.00 0.00 C ATOM 1377 C SER A 91 0.599 7.682 6.583 1.00 0.00 C ATOM 1378 O SER A 91 -0.125 7.955 5.626 1.00 0.00 O ATOM 1379 CB SER A 91 1.731 5.640 7.484 1.00 0.00 C ATOM 1380 OG SER A 91 2.622 6.312 8.359 1.00 0.00 O ATOM 0 H SER A 91 -0.567 5.538 5.717 1.00 0.00 H new ATOM 0 HA SER A 91 0.050 6.643 8.370 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.552 4.629 7.849 1.00 0.00 H new ATOM 0 HB3 SER A 91 2.186 5.547 6.498 1.00 0.00 H new ATOM 0 HG SER A 91 2.110 6.779 9.052 1.00 0.00 H new ATOM 1386 N SER A 92 1.584 8.472 6.994 1.00 0.00 N ATOM 1387 CA SER A 92 1.876 9.739 6.332 1.00 0.00 C ATOM 1388 C SER A 92 3.382 9.949 6.201 1.00 0.00 C ATOM 1389 O SER A 92 4.170 9.342 6.926 1.00 0.00 O ATOM 1390 CB SER A 92 1.252 10.900 7.107 1.00 0.00 C ATOM 1391 OG SER A 92 0.955 11.986 6.247 1.00 0.00 O ATOM 0 H SER A 92 2.194 8.258 7.783 1.00 0.00 H new ATOM 0 HA SER A 92 1.443 9.706 5.332 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.340 10.563 7.601 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.936 11.228 7.890 1.00 0.00 H new ATOM 0 HG SER A 92 0.555 12.715 6.766 1.00 0.00 H new ATOM 1397 N ARG A 93 3.773 10.814 5.270 1.00 0.00 N ATOM 1398 CA ARG A 93 5.183 11.105 5.043 1.00 0.00 C ATOM 1399 C ARG A 93 5.814 11.742 6.278 1.00 0.00 C ATOM 1400 O ARG A 93 6.987 11.516 6.575 1.00 0.00 O ATOM 1401 CB ARG A 93 5.346 12.033 3.838 1.00 0.00 C ATOM 1402 CG ARG A 93 6.779 12.484 3.606 1.00 0.00 C ATOM 1403 CD ARG A 93 7.556 11.472 2.780 1.00 0.00 C ATOM 1404 NE ARG A 93 8.998 11.588 2.985 1.00 0.00 N ATOM 1405 CZ ARG A 93 9.760 12.472 2.352 1.00 0.00 C ATOM 1406 NH1 ARG A 93 9.223 13.313 1.478 1.00 0.00 N ATOM 1407 NH2 ARG A 93 11.064 12.517 2.592 1.00 0.00 N ATOM 0 H ARG A 93 3.133 11.325 4.662 1.00 0.00 H new ATOM 0 HA ARG A 93 5.694 10.164 4.841 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.986 11.522 2.945 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.716 12.911 3.979 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.780 13.448 3.097 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.275 12.630 4.565 1.00 0.00 H new ATOM 0 HD2 ARG A 93 7.233 10.465 3.043 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.328 11.615 1.724 1.00 0.00 H new ATOM 0 HE ARG A 93 9.443 10.956 3.650 1.00 0.00 H new ATOM 0 HH11 ARG A 93 8.221 13.282 1.290 1.00 0.00 H new ATOM 0 HH12 ARG A 93 9.812 13.991 0.994 1.00 0.00 H new ATOM 0 HH21 ARG A 93 11.482 11.872 3.263 1.00 0.00 H new ATOM 0 HH22 ARG A 93 11.649 13.196 2.105 1.00 0.00 H new