USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 504 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 351 TYR OH : rot -18:sc= 1.62 USER MOD Set 1.2: A 363 LYS NZ :NH3+ 155:sc= 0.325 (180deg=0) USER MOD Set 2.1: A 328 THR OG1 : rot -174:sc= 2.78 USER MOD Set 2.2: A 354 TYR OH : rot 152:sc= -1.48! USER MOD Single : A 321 THR OG1 : rot 180:sc= 0.0203 USER MOD Single : A 326 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 330 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 331 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 335 SER OG : rot -37:sc= 1.13 USER MOD Single : A 337 ASN : amide:sc= -0.134 X(o=-0.13,f=-0.0063) USER MOD Single : A 342 THR OG1 : rot 61:sc= -0.313 USER MOD Single : A 343 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 344 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 345 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 347 CYS SG : rot 180:sc= 0 USER MOD Single : A 348 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00125) USER MOD Single : A 349 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0807) USER MOD Single : A 353 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 356 THR OG1 : rot 180:sc= 0 USER MOD Single : A 357 TYR OH : rot 180:sc= 0 USER MOD Single : A 360 THR OG1 : rot -71:sc= 1.15 USER MOD Single : A 367 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 368 THR OG1 : rot 106:sc= 0.867 USER MOD Single : A 369 THR OG1 : rot 180:sc= 0 USER MOD Single : A 371 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 375 SER OG : rot 180:sc= 0 USER MOD Single : A 378 HIS :FLIP no HD1:sc= -0.082 F(o=-1.3,f=-0.082) USER MOD ----------------------------------------------------------------- ATOM 203 N PRO A 320 11.747 1.997 -7.140 1.00 0.00 N ATOM 204 CA PRO A 320 12.059 0.656 -6.589 1.00 0.00 C ATOM 205 C PRO A 320 12.035 -0.394 -7.702 1.00 0.00 C ATOM 206 O PRO A 320 11.109 -0.461 -8.485 1.00 0.00 O ATOM 207 CB PRO A 320 10.933 0.409 -5.590 1.00 0.00 C ATOM 208 CG PRO A 320 9.799 1.259 -6.066 1.00 0.00 C ATOM 209 CD PRO A 320 10.400 2.447 -6.773 1.00 0.00 C ATOM 0 HA PRO A 320 13.048 0.598 -6.134 1.00 0.00 H new ATOM 0 HB2 PRO A 320 10.653 -0.644 -5.564 1.00 0.00 H new ATOM 0 HB3 PRO A 320 11.235 0.684 -4.579 1.00 0.00 H new ATOM 0 HG2 PRO A 320 9.153 0.696 -6.740 1.00 0.00 H new ATOM 0 HG3 PRO A 320 9.182 1.582 -5.228 1.00 0.00 H new ATOM 0 HD2 PRO A 320 9.818 2.725 -7.652 1.00 0.00 H new ATOM 0 HD3 PRO A 320 10.434 3.322 -6.124 1.00 0.00 H new ATOM 217 N THR A 321 13.046 -1.217 -7.777 1.00 0.00 N ATOM 218 CA THR A 321 13.073 -2.262 -8.839 1.00 0.00 C ATOM 219 C THR A 321 11.854 -3.177 -8.705 1.00 0.00 C ATOM 220 O THR A 321 11.137 -3.131 -7.725 1.00 0.00 O ATOM 221 CB THR A 321 14.363 -3.046 -8.594 1.00 0.00 C ATOM 222 OG1 THR A 321 15.441 -2.134 -8.413 1.00 0.00 O ATOM 223 CG2 THR A 321 14.644 -3.954 -9.794 1.00 0.00 C ATOM 0 H THR A 321 13.851 -1.211 -7.151 1.00 0.00 H new ATOM 0 HA THR A 321 13.043 -1.835 -9.841 1.00 0.00 H new ATOM 0 HB THR A 321 14.256 -3.659 -7.699 1.00 0.00 H new ATOM 0 HG1 THR A 321 16.269 -2.634 -8.254 1.00 0.00 H new ATOM 0 HG21 THR A 321 15.563 -4.513 -9.620 1.00 0.00 H new ATOM 0 HG22 THR A 321 13.816 -4.650 -9.926 1.00 0.00 H new ATOM 0 HG23 THR A 321 14.753 -3.346 -10.692 1.00 0.00 H new ATOM 231 N ASP A 322 11.613 -4.008 -9.681 1.00 0.00 N ATOM 232 CA ASP A 322 10.439 -4.924 -9.604 1.00 0.00 C ATOM 233 C ASP A 322 10.494 -5.747 -8.314 1.00 0.00 C ATOM 234 O ASP A 322 9.479 -6.079 -7.735 1.00 0.00 O ATOM 235 CB ASP A 322 10.565 -5.832 -10.828 1.00 0.00 C ATOM 236 CG ASP A 322 9.318 -6.711 -10.943 1.00 0.00 C ATOM 237 OD1 ASP A 322 9.101 -7.517 -10.053 1.00 0.00 O ATOM 238 OD2 ASP A 322 8.601 -6.562 -11.919 1.00 0.00 O ATOM 0 H ASP A 322 12.176 -4.093 -10.527 1.00 0.00 H new ATOM 0 HA ASP A 322 9.492 -4.384 -9.594 1.00 0.00 H new ATOM 0 HB2 ASP A 322 10.683 -5.231 -11.729 1.00 0.00 H new ATOM 0 HB3 ASP A 322 11.455 -6.455 -10.742 1.00 0.00 H new ATOM 243 N GLU A 323 11.672 -6.077 -7.859 1.00 0.00 N ATOM 244 CA GLU A 323 11.786 -6.877 -6.605 1.00 0.00 C ATOM 245 C GLU A 323 11.229 -6.083 -5.422 1.00 0.00 C ATOM 246 O GLU A 323 10.553 -6.617 -4.565 1.00 0.00 O ATOM 247 CB GLU A 323 13.284 -7.127 -6.426 1.00 0.00 C ATOM 248 CG GLU A 323 13.556 -8.633 -6.441 1.00 0.00 C ATOM 249 CD GLU A 323 13.644 -9.151 -5.004 1.00 0.00 C ATOM 250 OE1 GLU A 323 14.233 -8.466 -4.184 1.00 0.00 O ATOM 251 OE2 GLU A 323 13.119 -10.222 -4.747 1.00 0.00 O ATOM 0 H GLU A 323 12.558 -5.829 -8.299 1.00 0.00 H new ATOM 0 HA GLU A 323 11.223 -7.809 -6.657 1.00 0.00 H new ATOM 0 HB2 GLU A 323 13.843 -6.638 -7.224 1.00 0.00 H new ATOM 0 HB3 GLU A 323 13.626 -6.694 -5.486 1.00 0.00 H new ATOM 0 HG2 GLU A 323 12.761 -9.151 -6.977 1.00 0.00 H new ATOM 0 HG3 GLU A 323 14.486 -8.840 -6.971 1.00 0.00 H new ATOM 258 N GLU A 324 11.505 -4.808 -5.367 1.00 0.00 N ATOM 259 CA GLU A 324 10.988 -3.982 -4.240 1.00 0.00 C ATOM 260 C GLU A 324 9.458 -3.946 -4.276 1.00 0.00 C ATOM 261 O GLU A 324 8.797 -4.216 -3.293 1.00 0.00 O ATOM 262 CB GLU A 324 11.566 -2.586 -4.475 1.00 0.00 C ATOM 263 CG GLU A 324 12.956 -2.493 -3.843 1.00 0.00 C ATOM 264 CD GLU A 324 12.818 -2.245 -2.340 1.00 0.00 C ATOM 265 OE1 GLU A 324 12.632 -3.208 -1.614 1.00 0.00 O ATOM 266 OE2 GLU A 324 12.903 -1.095 -1.939 1.00 0.00 O ATOM 0 H GLU A 324 12.066 -4.304 -6.054 1.00 0.00 H new ATOM 0 HA GLU A 324 11.274 -4.380 -3.267 1.00 0.00 H new ATOM 0 HB2 GLU A 324 11.627 -2.382 -5.544 1.00 0.00 H new ATOM 0 HB3 GLU A 324 10.908 -1.832 -4.044 1.00 0.00 H new ATOM 0 HG2 GLU A 324 13.510 -3.415 -4.021 1.00 0.00 H new ATOM 0 HG3 GLU A 324 13.524 -1.685 -4.305 1.00 0.00 H new ATOM 273 N LEU A 325 8.892 -3.615 -5.405 1.00 0.00 N ATOM 274 CA LEU A 325 7.405 -3.564 -5.504 1.00 0.00 C ATOM 275 C LEU A 325 6.808 -4.934 -5.177 1.00 0.00 C ATOM 276 O LEU A 325 5.954 -5.062 -4.322 1.00 0.00 O ATOM 277 CB LEU A 325 7.120 -3.184 -6.958 1.00 0.00 C ATOM 278 CG LEU A 325 7.462 -1.709 -7.173 1.00 0.00 C ATOM 279 CD1 LEU A 325 7.213 -1.334 -8.636 1.00 0.00 C ATOM 280 CD2 LEU A 325 6.579 -0.846 -6.268 1.00 0.00 C ATOM 0 H LEU A 325 9.393 -3.378 -6.261 1.00 0.00 H new ATOM 0 HA LEU A 325 6.966 -2.853 -4.804 1.00 0.00 H new ATOM 0 HB2 LEU A 325 7.709 -3.807 -7.631 1.00 0.00 H new ATOM 0 HB3 LEU A 325 6.071 -3.364 -7.194 1.00 0.00 H new ATOM 0 HG LEU A 325 8.511 -1.539 -6.929 1.00 0.00 H new ATOM 0 HD11 LEU A 325 7.457 -0.283 -8.789 1.00 0.00 H new ATOM 0 HD12 LEU A 325 7.840 -1.949 -9.281 1.00 0.00 H new ATOM 0 HD13 LEU A 325 6.164 -1.503 -8.881 1.00 0.00 H new ATOM 0 HD21 LEU A 325 6.821 0.206 -6.420 1.00 0.00 H new ATOM 0 HD22 LEU A 325 5.531 -1.016 -6.513 1.00 0.00 H new ATOM 0 HD23 LEU A 325 6.756 -1.113 -5.226 1.00 0.00 H new ATOM 292 N LYS A 326 7.252 -5.962 -5.847 1.00 0.00 N ATOM 293 CA LYS A 326 6.711 -7.323 -5.570 1.00 0.00 C ATOM 294 C LYS A 326 6.735 -7.603 -4.066 1.00 0.00 C ATOM 295 O LYS A 326 5.769 -8.061 -3.494 1.00 0.00 O ATOM 296 CB LYS A 326 7.647 -8.281 -6.308 1.00 0.00 C ATOM 297 CG LYS A 326 7.235 -9.724 -6.014 1.00 0.00 C ATOM 298 CD LYS A 326 6.826 -10.415 -7.315 1.00 0.00 C ATOM 299 CE LYS A 326 7.902 -10.185 -8.378 1.00 0.00 C ATOM 300 NZ LYS A 326 8.415 -11.544 -8.706 1.00 0.00 N ATOM 0 H LYS A 326 7.966 -5.918 -6.574 1.00 0.00 H new ATOM 0 HA LYS A 326 5.677 -7.431 -5.898 1.00 0.00 H new ATOM 0 HB2 LYS A 326 7.607 -8.091 -7.381 1.00 0.00 H new ATOM 0 HB3 LYS A 326 8.677 -8.114 -5.993 1.00 0.00 H new ATOM 0 HG2 LYS A 326 8.062 -10.261 -5.549 1.00 0.00 H new ATOM 0 HG3 LYS A 326 6.406 -9.739 -5.306 1.00 0.00 H new ATOM 0 HD2 LYS A 326 6.691 -11.483 -7.145 1.00 0.00 H new ATOM 0 HD3 LYS A 326 5.869 -10.024 -7.661 1.00 0.00 H new ATOM 0 HE2 LYS A 326 7.488 -9.696 -9.260 1.00 0.00 H new ATOM 0 HE3 LYS A 326 8.698 -9.543 -8.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 326 9.158 -11.469 -9.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 326 8.809 -11.982 -7.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 326 7.637 -12.131 -9.068 1.00 0.00 H new ATOM 314 N GLU A 327 7.836 -7.329 -3.420 1.00 0.00 N ATOM 315 CA GLU A 327 7.924 -7.579 -1.953 1.00 0.00 C ATOM 316 C GLU A 327 6.764 -6.888 -1.229 1.00 0.00 C ATOM 317 O GLU A 327 6.041 -7.502 -0.469 1.00 0.00 O ATOM 318 CB GLU A 327 9.261 -6.972 -1.530 1.00 0.00 C ATOM 319 CG GLU A 327 9.610 -7.441 -0.116 1.00 0.00 C ATOM 320 CD GLU A 327 9.866 -8.948 -0.127 1.00 0.00 C ATOM 321 OE1 GLU A 327 10.927 -9.346 -0.577 1.00 0.00 O ATOM 322 OE2 GLU A 327 8.995 -9.681 0.315 1.00 0.00 O ATOM 0 H GLU A 327 8.679 -6.943 -3.845 1.00 0.00 H new ATOM 0 HA GLU A 327 7.863 -8.639 -1.708 1.00 0.00 H new ATOM 0 HB2 GLU A 327 10.044 -7.270 -2.227 1.00 0.00 H new ATOM 0 HB3 GLU A 327 9.204 -5.884 -1.560 1.00 0.00 H new ATOM 0 HG2 GLU A 327 10.493 -6.914 0.246 1.00 0.00 H new ATOM 0 HG3 GLU A 327 8.795 -7.205 0.568 1.00 0.00 H new ATOM 329 N THR A 328 6.579 -5.617 -1.456 1.00 0.00 N ATOM 330 CA THR A 328 5.466 -4.892 -0.779 1.00 0.00 C ATOM 331 C THR A 328 4.151 -5.655 -0.955 1.00 0.00 C ATOM 332 O THR A 328 3.456 -5.947 0.001 1.00 0.00 O ATOM 333 CB THR A 328 5.395 -3.535 -1.480 1.00 0.00 C ATOM 334 OG1 THR A 328 6.574 -2.793 -1.194 1.00 0.00 O ATOM 335 CG2 THR A 328 4.171 -2.764 -0.983 1.00 0.00 C ATOM 0 H THR A 328 7.150 -5.048 -2.081 1.00 0.00 H new ATOM 0 HA THR A 328 5.632 -4.790 0.293 1.00 0.00 H new ATOM 0 HB THR A 328 5.313 -3.686 -2.556 1.00 0.00 H new ATOM 0 HG1 THR A 328 6.489 -1.889 -1.563 1.00 0.00 H new ATOM 0 HG21 THR A 328 4.122 -1.797 -1.484 1.00 0.00 H new ATOM 0 HG22 THR A 328 3.268 -3.333 -1.204 1.00 0.00 H new ATOM 0 HG23 THR A 328 4.249 -2.612 0.093 1.00 0.00 H new ATOM 343 N ILE A 329 3.801 -5.978 -2.169 1.00 0.00 N ATOM 344 CA ILE A 329 2.529 -6.717 -2.409 1.00 0.00 C ATOM 345 C ILE A 329 2.584 -8.102 -1.761 1.00 0.00 C ATOM 346 O ILE A 329 1.718 -8.472 -0.993 1.00 0.00 O ATOM 347 CB ILE A 329 2.430 -6.845 -3.926 1.00 0.00 C ATOM 348 CG1 ILE A 329 2.571 -5.460 -4.564 1.00 0.00 C ATOM 349 CG2 ILE A 329 1.073 -7.444 -4.296 1.00 0.00 C ATOM 350 CD1 ILE A 329 3.567 -5.532 -5.722 1.00 0.00 C ATOM 0 H ILE A 329 4.341 -5.762 -3.007 1.00 0.00 H new ATOM 0 HA ILE A 329 1.669 -6.202 -1.981 1.00 0.00 H new ATOM 0 HB ILE A 329 3.225 -7.494 -4.291 1.00 0.00 H new ATOM 0 HG12 ILE A 329 1.602 -5.113 -4.924 1.00 0.00 H new ATOM 0 HG13 ILE A 329 2.912 -4.739 -3.821 1.00 0.00 H new ATOM 0 HG21 ILE A 329 0.999 -7.537 -5.380 1.00 0.00 H new ATOM 0 HG22 ILE A 329 0.974 -8.429 -3.840 1.00 0.00 H new ATOM 0 HG23 ILE A 329 0.277 -6.794 -3.933 1.00 0.00 H new ATOM 0 HD11 ILE A 329 3.668 -4.547 -6.177 1.00 0.00 H new ATOM 0 HD12 ILE A 329 4.537 -5.860 -5.348 1.00 0.00 H new ATOM 0 HD13 ILE A 329 3.207 -6.241 -6.468 1.00 0.00 H new ATOM 362 N LYS A 330 3.594 -8.870 -2.062 1.00 0.00 N ATOM 363 CA LYS A 330 3.700 -10.228 -1.461 1.00 0.00 C ATOM 364 C LYS A 330 3.369 -10.160 0.030 1.00 0.00 C ATOM 365 O LYS A 330 2.924 -11.123 0.623 1.00 0.00 O ATOM 366 CB LYS A 330 5.156 -10.644 -1.675 1.00 0.00 C ATOM 367 CG LYS A 330 5.453 -11.902 -0.858 1.00 0.00 C ATOM 368 CD LYS A 330 6.117 -11.504 0.460 1.00 0.00 C ATOM 369 CE LYS A 330 7.463 -12.219 0.592 1.00 0.00 C ATOM 370 NZ LYS A 330 7.854 -12.046 2.018 1.00 0.00 N ATOM 0 H LYS A 330 4.350 -8.616 -2.698 1.00 0.00 H new ATOM 0 HA LYS A 330 3.008 -10.941 -1.910 1.00 0.00 H new ATOM 0 HB2 LYS A 330 5.340 -10.833 -2.733 1.00 0.00 H new ATOM 0 HB3 LYS A 330 5.824 -9.837 -1.375 1.00 0.00 H new ATOM 0 HG2 LYS A 330 4.531 -12.449 -0.663 1.00 0.00 H new ATOM 0 HG3 LYS A 330 6.106 -12.569 -1.421 1.00 0.00 H new ATOM 0 HD2 LYS A 330 6.262 -10.424 0.494 1.00 0.00 H new ATOM 0 HD3 LYS A 330 5.471 -11.766 1.298 1.00 0.00 H new ATOM 0 HE2 LYS A 330 7.376 -13.274 0.332 1.00 0.00 H new ATOM 0 HE3 LYS A 330 8.207 -11.786 -0.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 330 8.769 -12.511 2.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 330 7.936 -11.032 2.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 330 7.131 -12.474 2.631 1.00 0.00 H new ATOM 384 N LYS A 331 3.571 -9.022 0.636 1.00 0.00 N ATOM 385 CA LYS A 331 3.256 -8.882 2.086 1.00 0.00 C ATOM 386 C LYS A 331 1.763 -8.603 2.263 1.00 0.00 C ATOM 387 O LYS A 331 1.158 -8.991 3.242 1.00 0.00 O ATOM 388 CB LYS A 331 4.088 -7.689 2.559 1.00 0.00 C ATOM 389 CG LYS A 331 5.515 -8.148 2.865 1.00 0.00 C ATOM 390 CD LYS A 331 6.475 -6.965 2.718 1.00 0.00 C ATOM 391 CE LYS A 331 7.764 -7.256 3.489 1.00 0.00 C ATOM 392 NZ LYS A 331 8.343 -5.916 3.790 1.00 0.00 N ATOM 0 H LYS A 331 3.941 -8.183 0.189 1.00 0.00 H new ATOM 0 HA LYS A 331 3.485 -9.783 2.655 1.00 0.00 H new ATOM 0 HB2 LYS A 331 4.101 -6.915 1.792 1.00 0.00 H new ATOM 0 HB3 LYS A 331 3.638 -7.249 3.449 1.00 0.00 H new ATOM 0 HG2 LYS A 331 5.570 -8.551 3.876 1.00 0.00 H new ATOM 0 HG3 LYS A 331 5.804 -8.951 2.186 1.00 0.00 H new ATOM 0 HD2 LYS A 331 6.699 -6.793 1.665 1.00 0.00 H new ATOM 0 HD3 LYS A 331 6.009 -6.055 3.097 1.00 0.00 H new ATOM 0 HE2 LYS A 331 7.560 -7.812 4.404 1.00 0.00 H new ATOM 0 HE3 LYS A 331 8.451 -7.859 2.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 331 9.231 -6.032 4.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 331 8.533 -5.412 2.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 331 7.669 -5.367 4.361 1.00 0.00 H new ATOM 406 N LEU A 332 1.163 -7.934 1.314 1.00 0.00 N ATOM 407 CA LEU A 332 -0.292 -7.632 1.418 1.00 0.00 C ATOM 408 C LEU A 332 -1.102 -8.929 1.345 1.00 0.00 C ATOM 409 O LEU A 332 -1.884 -9.236 2.222 1.00 0.00 O ATOM 410 CB LEU A 332 -0.599 -6.741 0.214 1.00 0.00 C ATOM 411 CG LEU A 332 0.142 -5.413 0.361 1.00 0.00 C ATOM 412 CD1 LEU A 332 0.113 -4.663 -0.974 1.00 0.00 C ATOM 413 CD2 LEU A 332 -0.541 -4.564 1.436 1.00 0.00 C ATOM 0 H LEU A 332 1.619 -7.584 0.471 1.00 0.00 H new ATOM 0 HA LEU A 332 -0.549 -7.146 2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 332 -0.296 -7.239 -0.707 1.00 0.00 H new ATOM 0 HB3 LEU A 332 -1.672 -6.565 0.143 1.00 0.00 H new ATOM 0 HG LEU A 332 1.176 -5.604 0.650 1.00 0.00 H new ATOM 0 HD11 LEU A 332 0.641 -3.715 -0.870 1.00 0.00 H new ATOM 0 HD12 LEU A 332 0.598 -5.267 -1.741 1.00 0.00 H new ATOM 0 HD13 LEU A 332 -0.921 -4.472 -1.262 1.00 0.00 H new ATOM 0 HD21 LEU A 332 -0.013 -3.616 1.541 1.00 0.00 H new ATOM 0 HD22 LEU A 332 -1.574 -4.373 1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 332 -0.523 -5.097 2.387 1.00 0.00 H new ATOM 425 N LEU A 333 -0.918 -9.693 0.303 1.00 0.00 N ATOM 426 CA LEU A 333 -1.675 -10.971 0.173 1.00 0.00 C ATOM 427 C LEU A 333 -1.313 -11.914 1.324 1.00 0.00 C ATOM 428 O LEU A 333 -2.152 -12.621 1.848 1.00 0.00 O ATOM 429 CB LEU A 333 -1.225 -11.560 -1.165 1.00 0.00 C ATOM 430 CG LEU A 333 -1.552 -10.579 -2.289 1.00 0.00 C ATOM 431 CD1 LEU A 333 -0.700 -10.908 -3.515 1.00 0.00 C ATOM 432 CD2 LEU A 333 -3.034 -10.697 -2.652 1.00 0.00 C ATOM 0 H LEU A 333 -0.277 -9.488 -0.463 1.00 0.00 H new ATOM 0 HA LEU A 333 -2.754 -10.822 0.210 1.00 0.00 H new ATOM 0 HB2 LEU A 333 -0.154 -11.762 -1.144 1.00 0.00 H new ATOM 0 HB3 LEU A 333 -1.725 -12.512 -1.342 1.00 0.00 H new ATOM 0 HG LEU A 333 -1.338 -9.562 -1.959 1.00 0.00 H new ATOM 0 HD11 LEU A 333 -0.932 -10.209 -4.318 1.00 0.00 H new ATOM 0 HD12 LEU A 333 0.356 -10.826 -3.257 1.00 0.00 H new ATOM 0 HD13 LEU A 333 -0.915 -11.924 -3.845 1.00 0.00 H new ATOM 0 HD21 LEU A 333 -3.269 -9.997 -3.454 1.00 0.00 H new ATOM 0 HD22 LEU A 333 -3.248 -11.713 -2.983 1.00 0.00 H new ATOM 0 HD23 LEU A 333 -3.642 -10.464 -1.778 1.00 0.00 H new ATOM 444 N ALA A 334 -0.071 -11.928 1.722 1.00 0.00 N ATOM 445 CA ALA A 334 0.344 -12.823 2.840 1.00 0.00 C ATOM 446 C ALA A 334 -0.308 -12.364 4.147 1.00 0.00 C ATOM 447 O ALA A 334 -0.237 -13.034 5.157 1.00 0.00 O ATOM 448 CB ALA A 334 1.864 -12.682 2.918 1.00 0.00 C ATOM 0 H ALA A 334 0.675 -11.359 1.322 1.00 0.00 H new ATOM 0 HA ALA A 334 0.041 -13.858 2.679 1.00 0.00 H new ATOM 0 HB1 ALA A 334 2.247 -13.313 3.720 1.00 0.00 H new ATOM 0 HB2 ALA A 334 2.307 -12.990 1.971 1.00 0.00 H new ATOM 0 HB3 ALA A 334 2.123 -11.642 3.118 1.00 0.00 H new ATOM 454 N SER A 335 -0.941 -11.223 4.133 1.00 0.00 N ATOM 455 CA SER A 335 -1.598 -10.716 5.372 1.00 0.00 C ATOM 456 C SER A 335 -3.047 -10.319 5.074 1.00 0.00 C ATOM 457 O SER A 335 -3.621 -9.484 5.744 1.00 0.00 O ATOM 458 CB SER A 335 -0.781 -9.492 5.780 1.00 0.00 C ATOM 459 OG SER A 335 -1.364 -8.903 6.934 1.00 0.00 O ATOM 0 H SER A 335 -1.032 -10.619 3.316 1.00 0.00 H new ATOM 0 HA SER A 335 -1.629 -11.467 6.162 1.00 0.00 H new ATOM 0 HB2 SER A 335 0.250 -9.780 5.986 1.00 0.00 H new ATOM 0 HB3 SER A 335 -0.753 -8.770 4.964 1.00 0.00 H new ATOM 0 HG SER A 335 -2.340 -8.960 6.872 1.00 0.00 H new ATOM 465 N ALA A 336 -3.640 -10.911 4.075 1.00 0.00 N ATOM 466 CA ALA A 336 -5.051 -10.568 3.735 1.00 0.00 C ATOM 467 C ALA A 336 -5.690 -11.702 2.929 1.00 0.00 C ATOM 468 O ALA A 336 -5.118 -12.763 2.772 1.00 0.00 O ATOM 469 CB ALA A 336 -4.957 -9.297 2.890 1.00 0.00 C ATOM 0 H ALA A 336 -3.209 -11.618 3.479 1.00 0.00 H new ATOM 0 HA ALA A 336 -5.667 -10.422 4.623 1.00 0.00 H new ATOM 0 HB1 ALA A 336 -5.958 -8.979 2.599 1.00 0.00 H new ATOM 0 HB2 ALA A 336 -4.480 -8.508 3.472 1.00 0.00 H new ATOM 0 HB3 ALA A 336 -4.365 -9.497 1.997 1.00 0.00 H new ATOM 475 N ASN A 337 -6.869 -11.486 2.415 1.00 0.00 N ATOM 476 CA ASN A 337 -7.540 -12.553 1.619 1.00 0.00 C ATOM 477 C ASN A 337 -7.499 -12.203 0.130 1.00 0.00 C ATOM 478 O ASN A 337 -7.858 -11.115 -0.273 1.00 0.00 O ATOM 479 CB ASN A 337 -8.982 -12.581 2.126 1.00 0.00 C ATOM 480 CG ASN A 337 -9.250 -13.914 2.827 1.00 0.00 C ATOM 481 OD1 ASN A 337 -10.268 -14.537 2.602 1.00 0.00 O ATOM 482 ND2 ASN A 337 -8.371 -14.380 3.671 1.00 0.00 N ATOM 0 H ASN A 337 -7.397 -10.618 2.511 1.00 0.00 H new ATOM 0 HA ASN A 337 -7.052 -13.521 1.731 1.00 0.00 H new ATOM 0 HB2 ASN A 337 -9.152 -11.754 2.816 1.00 0.00 H new ATOM 0 HB3 ASN A 337 -9.674 -12.450 1.294 1.00 0.00 H new ATOM 0 HD21 ASN A 337 -8.538 -15.269 4.143 1.00 0.00 H new ATOM 0 HD22 ASN A 337 -7.517 -13.856 3.859 1.00 0.00 H new ATOM 489 N LEU A 338 -7.060 -13.117 -0.690 1.00 0.00 N ATOM 490 CA LEU A 338 -6.992 -12.839 -2.153 1.00 0.00 C ATOM 491 C LEU A 338 -8.395 -12.589 -2.713 1.00 0.00 C ATOM 492 O LEU A 338 -8.631 -11.625 -3.411 1.00 0.00 O ATOM 493 CB LEU A 338 -6.381 -14.099 -2.763 1.00 0.00 C ATOM 494 CG LEU A 338 -4.855 -14.016 -2.682 1.00 0.00 C ATOM 495 CD1 LEU A 338 -4.435 -13.575 -1.277 1.00 0.00 C ATOM 496 CD2 LEU A 338 -4.252 -15.388 -2.986 1.00 0.00 C ATOM 0 H LEU A 338 -6.745 -14.046 -0.410 1.00 0.00 H new ATOM 0 HA LEU A 338 -6.403 -11.950 -2.380 1.00 0.00 H new ATOM 0 HB2 LEU A 338 -6.737 -14.982 -2.232 1.00 0.00 H new ATOM 0 HB3 LEU A 338 -6.696 -14.203 -3.801 1.00 0.00 H new ATOM 0 HG LEU A 338 -4.495 -13.290 -3.411 1.00 0.00 H new ATOM 0 HD11 LEU A 338 -3.348 -13.517 -1.224 1.00 0.00 H new ATOM 0 HD12 LEU A 338 -4.862 -12.596 -1.060 1.00 0.00 H new ATOM 0 HD13 LEU A 338 -4.796 -14.298 -0.546 1.00 0.00 H new ATOM 0 HD21 LEU A 338 -3.165 -15.329 -2.928 1.00 0.00 H new ATOM 0 HD22 LEU A 338 -4.615 -16.114 -2.259 1.00 0.00 H new ATOM 0 HD23 LEU A 338 -4.546 -15.701 -3.988 1.00 0.00 H new ATOM 508 N GLU A 339 -9.328 -13.448 -2.408 1.00 0.00 N ATOM 509 CA GLU A 339 -10.714 -13.253 -2.923 1.00 0.00 C ATOM 510 C GLU A 339 -11.338 -12.008 -2.287 1.00 0.00 C ATOM 511 O GLU A 339 -12.412 -11.579 -2.661 1.00 0.00 O ATOM 512 CB GLU A 339 -11.477 -14.510 -2.504 1.00 0.00 C ATOM 513 CG GLU A 339 -11.861 -15.314 -3.748 1.00 0.00 C ATOM 514 CD GLU A 339 -13.083 -14.676 -4.413 1.00 0.00 C ATOM 515 OE1 GLU A 339 -13.281 -13.488 -4.225 1.00 0.00 O ATOM 516 OE2 GLU A 339 -13.799 -15.388 -5.097 1.00 0.00 O ATOM 0 H GLU A 339 -9.192 -14.275 -1.826 1.00 0.00 H new ATOM 0 HA GLU A 339 -10.738 -13.107 -4.003 1.00 0.00 H new ATOM 0 HB2 GLU A 339 -10.861 -15.118 -1.841 1.00 0.00 H new ATOM 0 HB3 GLU A 339 -12.372 -14.236 -1.945 1.00 0.00 H new ATOM 0 HG2 GLU A 339 -11.026 -15.341 -4.448 1.00 0.00 H new ATOM 0 HG3 GLU A 339 -12.081 -16.346 -3.473 1.00 0.00 H new ATOM 523 N GLU A 340 -10.673 -11.424 -1.327 1.00 0.00 N ATOM 524 CA GLU A 340 -11.227 -10.207 -0.666 1.00 0.00 C ATOM 525 C GLU A 340 -10.377 -8.981 -1.012 1.00 0.00 C ATOM 526 O GLU A 340 -10.686 -7.872 -0.624 1.00 0.00 O ATOM 527 CB GLU A 340 -11.156 -10.504 0.833 1.00 0.00 C ATOM 528 CG GLU A 340 -11.976 -9.464 1.600 1.00 0.00 C ATOM 529 CD GLU A 340 -11.331 -9.211 2.965 1.00 0.00 C ATOM 530 OE1 GLU A 340 -10.391 -8.436 3.018 1.00 0.00 O ATOM 531 OE2 GLU A 340 -11.790 -9.796 3.932 1.00 0.00 O ATOM 0 H GLU A 340 -9.770 -11.737 -0.972 1.00 0.00 H new ATOM 0 HA GLU A 340 -12.244 -9.988 -0.991 1.00 0.00 H new ATOM 0 HB2 GLU A 340 -11.538 -11.505 1.035 1.00 0.00 H new ATOM 0 HB3 GLU A 340 -10.119 -10.485 1.169 1.00 0.00 H new ATOM 0 HG2 GLU A 340 -12.027 -8.535 1.032 1.00 0.00 H new ATOM 0 HG3 GLU A 340 -13.000 -9.816 1.729 1.00 0.00 H new ATOM 538 N VAL A 341 -9.308 -9.170 -1.737 1.00 0.00 N ATOM 539 CA VAL A 341 -8.441 -8.012 -2.102 1.00 0.00 C ATOM 540 C VAL A 341 -8.547 -7.719 -3.602 1.00 0.00 C ATOM 541 O VAL A 341 -8.515 -8.616 -4.423 1.00 0.00 O ATOM 542 CB VAL A 341 -7.022 -8.447 -1.737 1.00 0.00 C ATOM 543 CG1 VAL A 341 -6.516 -9.461 -2.764 1.00 0.00 C ATOM 544 CG2 VAL A 341 -6.099 -7.227 -1.730 1.00 0.00 C ATOM 0 H VAL A 341 -8.997 -10.074 -2.092 1.00 0.00 H new ATOM 0 HA VAL A 341 -8.733 -7.100 -1.582 1.00 0.00 H new ATOM 0 HB VAL A 341 -7.028 -8.905 -0.748 1.00 0.00 H new ATOM 0 HG11 VAL A 341 -5.504 -9.770 -2.502 1.00 0.00 H new ATOM 0 HG12 VAL A 341 -7.172 -10.332 -2.769 1.00 0.00 H new ATOM 0 HG13 VAL A 341 -6.511 -9.005 -3.754 1.00 0.00 H new ATOM 0 HG21 VAL A 341 -5.087 -7.538 -1.470 1.00 0.00 H new ATOM 0 HG22 VAL A 341 -6.095 -6.768 -2.719 1.00 0.00 H new ATOM 0 HG23 VAL A 341 -6.457 -6.504 -0.997 1.00 0.00 H new ATOM 554 N THR A 342 -8.671 -6.472 -3.966 1.00 0.00 N ATOM 555 CA THR A 342 -8.776 -6.123 -5.412 1.00 0.00 C ATOM 556 C THR A 342 -7.818 -4.978 -5.748 1.00 0.00 C ATOM 557 O THR A 342 -7.059 -4.525 -4.914 1.00 0.00 O ATOM 558 CB THR A 342 -10.228 -5.683 -5.609 1.00 0.00 C ATOM 559 OG1 THR A 342 -10.382 -5.141 -6.913 1.00 0.00 O ATOM 560 CG2 THR A 342 -10.589 -4.623 -4.568 1.00 0.00 C ATOM 0 H THR A 342 -8.704 -5.679 -3.325 1.00 0.00 H new ATOM 0 HA THR A 342 -8.513 -6.959 -6.060 1.00 0.00 H new ATOM 0 HB THR A 342 -10.888 -6.542 -5.491 1.00 0.00 H new ATOM 0 HG1 THR A 342 -10.166 -5.826 -7.580 1.00 0.00 H new ATOM 0 HG21 THR A 342 -11.624 -4.311 -4.710 1.00 0.00 H new ATOM 0 HG22 THR A 342 -10.470 -5.040 -3.568 1.00 0.00 H new ATOM 0 HG23 THR A 342 -9.931 -3.761 -4.683 1.00 0.00 H new ATOM 568 N MET A 343 -7.845 -4.505 -6.964 1.00 0.00 N ATOM 569 CA MET A 343 -6.935 -3.390 -7.352 1.00 0.00 C ATOM 570 C MET A 343 -7.109 -2.207 -6.394 1.00 0.00 C ATOM 571 O MET A 343 -6.203 -1.423 -6.189 1.00 0.00 O ATOM 572 CB MET A 343 -7.366 -3.000 -8.767 1.00 0.00 C ATOM 573 CG MET A 343 -6.779 -1.633 -9.123 1.00 0.00 C ATOM 574 SD MET A 343 -7.907 -0.330 -8.570 1.00 0.00 S ATOM 575 CE MET A 343 -7.897 0.642 -10.097 1.00 0.00 C ATOM 0 H MET A 343 -8.458 -4.843 -7.706 1.00 0.00 H new ATOM 0 HA MET A 343 -5.885 -3.681 -7.311 1.00 0.00 H new ATOM 0 HB2 MET A 343 -7.027 -3.750 -9.481 1.00 0.00 H new ATOM 0 HB3 MET A 343 -8.454 -2.968 -8.831 1.00 0.00 H new ATOM 0 HG2 MET A 343 -5.804 -1.510 -8.651 1.00 0.00 H new ATOM 0 HG3 MET A 343 -6.623 -1.561 -10.199 1.00 0.00 H new ATOM 0 HE1 MET A 343 -8.541 1.513 -9.978 1.00 0.00 H new ATOM 0 HE2 MET A 343 -6.880 0.969 -10.313 1.00 0.00 H new ATOM 0 HE3 MET A 343 -8.264 0.029 -10.921 1.00 0.00 H new ATOM 585 N LYS A 344 -8.266 -2.074 -5.807 1.00 0.00 N ATOM 586 CA LYS A 344 -8.500 -0.942 -4.865 1.00 0.00 C ATOM 587 C LYS A 344 -7.537 -1.030 -3.678 1.00 0.00 C ATOM 588 O LYS A 344 -6.821 -0.096 -3.378 1.00 0.00 O ATOM 589 CB LYS A 344 -9.945 -1.114 -4.395 1.00 0.00 C ATOM 590 CG LYS A 344 -10.626 0.254 -4.323 1.00 0.00 C ATOM 591 CD LYS A 344 -11.472 0.336 -3.050 1.00 0.00 C ATOM 592 CE LYS A 344 -12.531 1.428 -3.210 1.00 0.00 C ATOM 593 NZ LYS A 344 -13.794 0.815 -2.711 1.00 0.00 N ATOM 0 H LYS A 344 -9.060 -2.700 -5.938 1.00 0.00 H new ATOM 0 HA LYS A 344 -8.334 0.027 -5.335 1.00 0.00 H new ATOM 0 HB2 LYS A 344 -10.486 -1.766 -5.081 1.00 0.00 H new ATOM 0 HB3 LYS A 344 -9.965 -1.594 -3.417 1.00 0.00 H new ATOM 0 HG2 LYS A 344 -9.877 1.046 -4.326 1.00 0.00 H new ATOM 0 HG3 LYS A 344 -11.254 0.406 -5.201 1.00 0.00 H new ATOM 0 HD2 LYS A 344 -11.951 -0.624 -2.856 1.00 0.00 H new ATOM 0 HD3 LYS A 344 -10.836 0.554 -2.192 1.00 0.00 H new ATOM 0 HE2 LYS A 344 -12.271 2.318 -2.637 1.00 0.00 H new ATOM 0 HE3 LYS A 344 -12.626 1.736 -4.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 344 -14.569 1.504 -2.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 344 -14.020 -0.026 -3.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 344 -13.676 0.538 -1.716 1.00 0.00 H new ATOM 607 N GLN A 345 -7.516 -2.143 -2.999 1.00 0.00 N ATOM 608 CA GLN A 345 -6.603 -2.288 -1.830 1.00 0.00 C ATOM 609 C GLN A 345 -5.152 -2.423 -2.302 1.00 0.00 C ATOM 610 O GLN A 345 -4.231 -2.000 -1.635 1.00 0.00 O ATOM 611 CB GLN A 345 -7.059 -3.569 -1.129 1.00 0.00 C ATOM 612 CG GLN A 345 -7.325 -3.276 0.349 1.00 0.00 C ATOM 613 CD GLN A 345 -8.783 -2.851 0.533 1.00 0.00 C ATOM 614 OE1 GLN A 345 -9.325 -2.131 -0.282 1.00 0.00 O ATOM 615 NE2 GLN A 345 -9.446 -3.270 1.576 1.00 0.00 N ATOM 0 H GLN A 345 -8.092 -2.960 -3.203 1.00 0.00 H new ATOM 0 HA GLN A 345 -6.641 -1.423 -1.168 1.00 0.00 H new ATOM 0 HB2 GLN A 345 -7.962 -3.953 -1.603 1.00 0.00 H new ATOM 0 HB3 GLN A 345 -6.295 -4.341 -1.226 1.00 0.00 H new ATOM 0 HG2 GLN A 345 -7.115 -4.161 0.949 1.00 0.00 H new ATOM 0 HG3 GLN A 345 -6.659 -2.488 0.700 1.00 0.00 H new ATOM 0 HE21 GLN A 345 -8.991 -3.874 2.260 1.00 0.00 H new ATOM 0 HE22 GLN A 345 -10.419 -2.993 1.707 1.00 0.00 H new ATOM 624 N ILE A 346 -4.942 -3.015 -3.446 1.00 0.00 N ATOM 625 CA ILE A 346 -3.549 -3.183 -3.957 1.00 0.00 C ATOM 626 C ILE A 346 -3.000 -1.848 -4.473 1.00 0.00 C ATOM 627 O ILE A 346 -1.815 -1.588 -4.403 1.00 0.00 O ATOM 628 CB ILE A 346 -3.667 -4.191 -5.102 1.00 0.00 C ATOM 629 CG1 ILE A 346 -4.036 -5.567 -4.537 1.00 0.00 C ATOM 630 CG2 ILE A 346 -2.332 -4.286 -5.844 1.00 0.00 C ATOM 631 CD1 ILE A 346 -3.125 -5.900 -3.354 1.00 0.00 C ATOM 0 H ILE A 346 -5.674 -3.390 -4.050 1.00 0.00 H new ATOM 0 HA ILE A 346 -2.866 -3.523 -3.179 1.00 0.00 H new ATOM 0 HB ILE A 346 -4.442 -3.862 -5.794 1.00 0.00 H new ATOM 0 HG12 ILE A 346 -5.078 -5.572 -4.218 1.00 0.00 H new ATOM 0 HG13 ILE A 346 -3.935 -6.328 -5.311 1.00 0.00 H new ATOM 0 HG21 ILE A 346 -2.419 -5.005 -6.659 1.00 0.00 H new ATOM 0 HG22 ILE A 346 -2.070 -3.308 -6.249 1.00 0.00 H new ATOM 0 HG23 ILE A 346 -1.554 -4.613 -5.154 1.00 0.00 H new ATOM 0 HD11 ILE A 346 -3.390 -6.879 -2.955 1.00 0.00 H new ATOM 0 HD12 ILE A 346 -2.087 -5.913 -3.686 1.00 0.00 H new ATOM 0 HD13 ILE A 346 -3.248 -5.146 -2.577 1.00 0.00 H new ATOM 643 N CYS A 347 -3.846 -1.006 -4.997 1.00 0.00 N ATOM 644 CA CYS A 347 -3.364 0.305 -5.525 1.00 0.00 C ATOM 645 C CYS A 347 -3.111 1.294 -4.384 1.00 0.00 C ATOM 646 O CYS A 347 -2.126 2.006 -4.377 1.00 0.00 O ATOM 647 CB CYS A 347 -4.492 0.806 -6.427 1.00 0.00 C ATOM 648 SG CYS A 347 -4.064 2.441 -7.076 1.00 0.00 S ATOM 0 H CYS A 347 -4.850 -1.167 -5.083 1.00 0.00 H new ATOM 0 HA CYS A 347 -2.420 0.204 -6.061 1.00 0.00 H new ATOM 0 HB2 CYS A 347 -4.653 0.108 -7.248 1.00 0.00 H new ATOM 0 HB3 CYS A 347 -5.425 0.858 -5.866 1.00 0.00 H new ATOM 0 HG CYS A 347 -5.022 2.867 -7.845 1.00 0.00 H new ATOM 654 N LYS A 348 -3.993 1.356 -3.425 1.00 0.00 N ATOM 655 CA LYS A 348 -3.798 2.314 -2.296 1.00 0.00 C ATOM 656 C LYS A 348 -2.703 1.816 -1.346 1.00 0.00 C ATOM 657 O LYS A 348 -1.794 2.545 -1.000 1.00 0.00 O ATOM 658 CB LYS A 348 -5.147 2.363 -1.579 1.00 0.00 C ATOM 659 CG LYS A 348 -5.187 3.578 -0.650 1.00 0.00 C ATOM 660 CD LYS A 348 -6.157 4.620 -1.213 1.00 0.00 C ATOM 661 CE LYS A 348 -5.426 5.500 -2.230 1.00 0.00 C ATOM 662 NZ LYS A 348 -5.942 5.062 -3.557 1.00 0.00 N ATOM 0 H LYS A 348 -4.838 0.788 -3.372 1.00 0.00 H new ATOM 0 HA LYS A 348 -3.484 3.297 -2.646 1.00 0.00 H new ATOM 0 HB2 LYS A 348 -5.956 2.422 -2.307 1.00 0.00 H new ATOM 0 HB3 LYS A 348 -5.300 1.448 -1.006 1.00 0.00 H new ATOM 0 HG2 LYS A 348 -5.501 3.275 0.349 1.00 0.00 H new ATOM 0 HG3 LYS A 348 -4.190 4.008 -0.554 1.00 0.00 H new ATOM 0 HD2 LYS A 348 -7.005 4.125 -1.687 1.00 0.00 H new ATOM 0 HD3 LYS A 348 -6.557 5.234 -0.406 1.00 0.00 H new ATOM 0 HE2 LYS A 348 -5.629 6.557 -2.056 1.00 0.00 H new ATOM 0 HE3 LYS A 348 -4.346 5.368 -2.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 348 -5.500 5.631 -4.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 348 -5.713 4.058 -3.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 348 -6.974 5.190 -3.588 1.00 0.00 H new ATOM 676 N LYS A 349 -2.781 0.586 -0.917 1.00 0.00 N ATOM 677 CA LYS A 349 -1.743 0.058 0.014 1.00 0.00 C ATOM 678 C LYS A 349 -0.367 0.107 -0.651 1.00 0.00 C ATOM 679 O LYS A 349 0.535 0.776 -0.184 1.00 0.00 O ATOM 680 CB LYS A 349 -2.153 -1.387 0.297 1.00 0.00 C ATOM 681 CG LYS A 349 -3.366 -1.399 1.228 1.00 0.00 C ATOM 682 CD LYS A 349 -2.895 -1.553 2.676 1.00 0.00 C ATOM 683 CE LYS A 349 -3.225 -2.963 3.175 1.00 0.00 C ATOM 684 NZ LYS A 349 -2.122 -3.316 4.116 1.00 0.00 N ATOM 0 H LYS A 349 -3.516 -0.075 -1.170 1.00 0.00 H new ATOM 0 HA LYS A 349 -1.675 0.644 0.930 1.00 0.00 H new ATOM 0 HB2 LYS A 349 -2.392 -1.898 -0.636 1.00 0.00 H new ATOM 0 HB3 LYS A 349 -1.325 -1.929 0.754 1.00 0.00 H new ATOM 0 HG2 LYS A 349 -3.934 -0.475 1.115 1.00 0.00 H new ATOM 0 HG3 LYS A 349 -4.034 -2.218 0.962 1.00 0.00 H new ATOM 0 HD2 LYS A 349 -1.822 -1.375 2.741 1.00 0.00 H new ATOM 0 HD3 LYS A 349 -3.380 -0.809 3.308 1.00 0.00 H new ATOM 0 HE2 LYS A 349 -4.192 -2.986 3.677 1.00 0.00 H new ATOM 0 HE3 LYS A 349 -3.278 -3.671 2.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 349 -2.217 -4.311 4.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 349 -1.206 -3.179 3.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 349 -2.173 -2.705 4.956 1.00 0.00 H new ATOM 698 N VAL A 350 -0.193 -0.594 -1.738 1.00 0.00 N ATOM 699 CA VAL A 350 1.131 -0.576 -2.420 1.00 0.00 C ATOM 700 C VAL A 350 1.640 0.865 -2.513 1.00 0.00 C ATOM 701 O VAL A 350 2.791 1.146 -2.247 1.00 0.00 O ATOM 702 CB VAL A 350 0.878 -1.170 -3.811 1.00 0.00 C ATOM 703 CG1 VAL A 350 0.291 -0.105 -4.743 1.00 0.00 C ATOM 704 CG2 VAL A 350 2.200 -1.679 -4.389 1.00 0.00 C ATOM 0 H VAL A 350 -0.905 -1.175 -2.181 1.00 0.00 H new ATOM 0 HA VAL A 350 1.890 -1.146 -1.884 1.00 0.00 H new ATOM 0 HB VAL A 350 0.169 -1.993 -3.724 1.00 0.00 H new ATOM 0 HG11 VAL A 350 0.116 -0.539 -5.727 1.00 0.00 H new ATOM 0 HG12 VAL A 350 -0.652 0.257 -4.333 1.00 0.00 H new ATOM 0 HG13 VAL A 350 0.991 0.726 -4.832 1.00 0.00 H new ATOM 0 HG21 VAL A 350 2.026 -2.102 -5.378 1.00 0.00 H new ATOM 0 HG22 VAL A 350 2.905 -0.852 -4.468 1.00 0.00 H new ATOM 0 HG23 VAL A 350 2.612 -2.446 -3.734 1.00 0.00 H new ATOM 714 N TYR A 351 0.784 1.781 -2.873 1.00 0.00 N ATOM 715 CA TYR A 351 1.212 3.205 -2.966 1.00 0.00 C ATOM 716 C TYR A 351 1.690 3.680 -1.593 1.00 0.00 C ATOM 717 O TYR A 351 2.714 4.320 -1.465 1.00 0.00 O ATOM 718 CB TYR A 351 -0.040 3.967 -3.397 1.00 0.00 C ATOM 719 CG TYR A 351 0.068 4.345 -4.856 1.00 0.00 C ATOM 720 CD1 TYR A 351 0.860 3.583 -5.726 1.00 0.00 C ATOM 721 CD2 TYR A 351 -0.626 5.460 -5.338 1.00 0.00 C ATOM 722 CE1 TYR A 351 0.955 3.938 -7.077 1.00 0.00 C ATOM 723 CE2 TYR A 351 -0.531 5.815 -6.690 1.00 0.00 C ATOM 724 CZ TYR A 351 0.260 5.054 -7.558 1.00 0.00 C ATOM 725 OH TYR A 351 0.355 5.403 -8.890 1.00 0.00 O ATOM 0 H TYR A 351 -0.193 1.605 -3.107 1.00 0.00 H new ATOM 0 HA TYR A 351 2.033 3.356 -3.667 1.00 0.00 H new ATOM 0 HB2 TYR A 351 -0.925 3.351 -3.236 1.00 0.00 H new ATOM 0 HB3 TYR A 351 -0.160 4.863 -2.788 1.00 0.00 H new ATOM 0 HD1 TYR A 351 1.397 2.723 -5.354 1.00 0.00 H new ATOM 0 HD2 TYR A 351 -1.235 6.048 -4.667 1.00 0.00 H new ATOM 0 HE1 TYR A 351 1.564 3.351 -7.748 1.00 0.00 H new ATOM 0 HE2 TYR A 351 -1.068 6.675 -7.062 1.00 0.00 H new ATOM 0 HH TYR A 351 1.145 4.978 -9.284 1.00 0.00 H new ATOM 735 N GLU A 352 0.956 3.357 -0.563 1.00 0.00 N ATOM 736 CA GLU A 352 1.368 3.771 0.807 1.00 0.00 C ATOM 737 C GLU A 352 2.864 3.515 0.991 1.00 0.00 C ATOM 738 O GLU A 352 3.577 4.313 1.565 1.00 0.00 O ATOM 739 CB GLU A 352 0.549 2.892 1.751 1.00 0.00 C ATOM 740 CG GLU A 352 0.004 3.744 2.898 1.00 0.00 C ATOM 741 CD GLU A 352 -1.478 4.040 2.654 1.00 0.00 C ATOM 742 OE1 GLU A 352 -1.881 4.030 1.503 1.00 0.00 O ATOM 743 OE2 GLU A 352 -2.182 4.272 3.623 1.00 0.00 O ATOM 0 H GLU A 352 0.088 2.824 -0.612 1.00 0.00 H new ATOM 0 HA GLU A 352 1.196 4.831 0.996 1.00 0.00 H new ATOM 0 HB2 GLU A 352 -0.273 2.425 1.209 1.00 0.00 H new ATOM 0 HB3 GLU A 352 1.169 2.087 2.145 1.00 0.00 H new ATOM 0 HG2 GLU A 352 0.130 3.221 3.846 1.00 0.00 H new ATOM 0 HG3 GLU A 352 0.565 4.676 2.971 1.00 0.00 H new ATOM 750 N ASN A 353 3.342 2.398 0.508 1.00 0.00 N ATOM 751 CA ASN A 353 4.792 2.081 0.647 1.00 0.00 C ATOM 752 C ASN A 353 5.588 2.748 -0.480 1.00 0.00 C ATOM 753 O ASN A 353 6.788 2.924 -0.385 1.00 0.00 O ATOM 754 CB ASN A 353 4.877 0.556 0.533 1.00 0.00 C ATOM 755 CG ASN A 353 4.633 -0.076 1.905 1.00 0.00 C ATOM 756 OD1 ASN A 353 3.512 -0.386 2.254 1.00 0.00 O ATOM 757 ND2 ASN A 353 5.646 -0.283 2.702 1.00 0.00 N ATOM 0 H ASN A 353 2.789 1.691 0.023 1.00 0.00 H new ATOM 0 HA ASN A 353 5.206 2.443 1.588 1.00 0.00 H new ATOM 0 HB2 ASN A 353 4.139 0.193 -0.182 1.00 0.00 H new ATOM 0 HB3 ASN A 353 5.857 0.264 0.156 1.00 0.00 H new ATOM 0 HD21 ASN A 353 5.496 -0.705 3.618 1.00 0.00 H new ATOM 0 HD22 ASN A 353 6.587 -0.022 2.408 1.00 0.00 H new ATOM 764 N TYR A 354 4.931 3.122 -1.545 1.00 0.00 N ATOM 765 CA TYR A 354 5.652 3.777 -2.676 1.00 0.00 C ATOM 766 C TYR A 354 5.017 5.133 -3.005 1.00 0.00 C ATOM 767 O TYR A 354 4.753 5.430 -4.153 1.00 0.00 O ATOM 768 CB TYR A 354 5.492 2.815 -3.853 1.00 0.00 C ATOM 769 CG TYR A 354 6.257 1.545 -3.575 1.00 0.00 C ATOM 770 CD1 TYR A 354 7.600 1.607 -3.182 1.00 0.00 C ATOM 771 CD2 TYR A 354 5.624 0.303 -3.710 1.00 0.00 C ATOM 772 CE1 TYR A 354 8.309 0.428 -2.924 1.00 0.00 C ATOM 773 CE2 TYR A 354 6.333 -0.876 -3.452 1.00 0.00 C ATOM 774 CZ TYR A 354 7.677 -0.814 -3.059 1.00 0.00 C ATOM 775 OH TYR A 354 8.376 -1.975 -2.805 1.00 0.00 O ATOM 0 H TYR A 354 3.927 3.003 -1.681 1.00 0.00 H new ATOM 0 HA TYR A 354 6.698 3.969 -2.439 1.00 0.00 H new ATOM 0 HB2 TYR A 354 4.437 2.589 -4.011 1.00 0.00 H new ATOM 0 HB3 TYR A 354 5.859 3.280 -4.768 1.00 0.00 H new ATOM 0 HD1 TYR A 354 8.089 2.565 -3.078 1.00 0.00 H new ATOM 0 HD2 TYR A 354 4.589 0.255 -4.013 1.00 0.00 H new ATOM 0 HE1 TYR A 354 9.344 0.476 -2.621 1.00 0.00 H new ATOM 0 HE2 TYR A 354 5.844 -1.834 -3.556 1.00 0.00 H new ATOM 0 HH TYR A 354 7.755 -2.672 -2.506 1.00 0.00 H new ATOM 785 N PRO A 355 4.793 5.914 -1.982 1.00 0.00 N ATOM 786 CA PRO A 355 4.183 7.253 -2.166 1.00 0.00 C ATOM 787 C PRO A 355 5.212 8.239 -2.728 1.00 0.00 C ATOM 788 O PRO A 355 5.012 8.838 -3.766 1.00 0.00 O ATOM 789 CB PRO A 355 3.771 7.655 -0.753 1.00 0.00 C ATOM 790 CG PRO A 355 4.682 6.886 0.152 1.00 0.00 C ATOM 791 CD PRO A 355 5.080 5.626 -0.572 1.00 0.00 C ATOM 0 HA PRO A 355 3.349 7.249 -2.867 1.00 0.00 H new ATOM 0 HB2 PRO A 355 3.879 8.729 -0.601 1.00 0.00 H new ATOM 0 HB3 PRO A 355 2.726 7.410 -0.562 1.00 0.00 H new ATOM 0 HG2 PRO A 355 5.562 7.478 0.404 1.00 0.00 H new ATOM 0 HG3 PRO A 355 4.180 6.647 1.089 1.00 0.00 H new ATOM 0 HD2 PRO A 355 6.134 5.395 -0.419 1.00 0.00 H new ATOM 0 HD3 PRO A 355 4.511 4.767 -0.217 1.00 0.00 H new ATOM 799 N THR A 356 6.309 8.411 -2.043 1.00 0.00 N ATOM 800 CA THR A 356 7.352 9.359 -2.530 1.00 0.00 C ATOM 801 C THR A 356 7.646 9.110 -4.011 1.00 0.00 C ATOM 802 O THR A 356 8.125 9.978 -4.714 1.00 0.00 O ATOM 803 CB THR A 356 8.587 9.061 -1.678 1.00 0.00 C ATOM 804 OG1 THR A 356 9.617 9.983 -2.003 1.00 0.00 O ATOM 805 CG2 THR A 356 9.068 7.635 -1.952 1.00 0.00 C ATOM 0 H THR A 356 6.529 7.936 -1.167 1.00 0.00 H new ATOM 0 HA THR A 356 7.038 10.399 -2.442 1.00 0.00 H new ATOM 0 HB THR A 356 8.333 9.157 -0.622 1.00 0.00 H new ATOM 0 HG1 THR A 356 10.409 9.795 -1.457 1.00 0.00 H new ATOM 0 HG21 THR A 356 9.948 7.425 -1.344 1.00 0.00 H new ATOM 0 HG22 THR A 356 8.276 6.929 -1.701 1.00 0.00 H new ATOM 0 HG23 THR A 356 9.323 7.533 -3.007 1.00 0.00 H new ATOM 813 N TYR A 357 7.362 7.931 -4.489 1.00 0.00 N ATOM 814 CA TYR A 357 7.627 7.629 -5.925 1.00 0.00 C ATOM 815 C TYR A 357 6.333 7.741 -6.736 1.00 0.00 C ATOM 816 O TYR A 357 5.263 7.405 -6.268 1.00 0.00 O ATOM 817 CB TYR A 357 8.144 6.190 -5.942 1.00 0.00 C ATOM 818 CG TYR A 357 9.231 6.031 -4.907 1.00 0.00 C ATOM 819 CD1 TYR A 357 10.384 6.820 -4.977 1.00 0.00 C ATOM 820 CD2 TYR A 357 9.087 5.092 -3.878 1.00 0.00 C ATOM 821 CE1 TYR A 357 11.394 6.670 -4.019 1.00 0.00 C ATOM 822 CE2 TYR A 357 10.096 4.942 -2.920 1.00 0.00 C ATOM 823 CZ TYR A 357 11.250 5.732 -2.990 1.00 0.00 C ATOM 824 OH TYR A 357 12.246 5.584 -2.045 1.00 0.00 O ATOM 0 H TYR A 357 6.959 7.165 -3.950 1.00 0.00 H new ATOM 0 HA TYR A 357 8.342 8.324 -6.366 1.00 0.00 H new ATOM 0 HB2 TYR A 357 7.328 5.497 -5.737 1.00 0.00 H new ATOM 0 HB3 TYR A 357 8.530 5.943 -6.931 1.00 0.00 H new ATOM 0 HD1 TYR A 357 10.495 7.545 -5.770 1.00 0.00 H new ATOM 0 HD2 TYR A 357 8.197 4.483 -3.824 1.00 0.00 H new ATOM 0 HE1 TYR A 357 12.285 7.278 -4.074 1.00 0.00 H new ATOM 0 HE2 TYR A 357 9.985 4.217 -2.127 1.00 0.00 H new ATOM 0 HH TYR A 357 11.986 4.892 -1.402 1.00 0.00 H new ATOM 834 N ASP A 358 6.424 8.205 -7.953 1.00 0.00 N ATOM 835 CA ASP A 358 5.204 8.333 -8.800 1.00 0.00 C ATOM 836 C ASP A 358 4.993 7.045 -9.596 1.00 0.00 C ATOM 837 O ASP A 358 4.833 7.064 -10.801 1.00 0.00 O ATOM 838 CB ASP A 358 5.494 9.504 -9.739 1.00 0.00 C ATOM 839 CG ASP A 358 5.059 10.812 -9.077 1.00 0.00 C ATOM 840 OD1 ASP A 358 4.072 10.790 -8.359 1.00 0.00 O ATOM 841 OD2 ASP A 358 5.720 11.813 -9.297 1.00 0.00 O ATOM 0 H ASP A 358 7.293 8.502 -8.398 1.00 0.00 H new ATOM 0 HA ASP A 358 4.302 8.501 -8.212 1.00 0.00 H new ATOM 0 HB2 ASP A 358 6.558 9.540 -9.974 1.00 0.00 H new ATOM 0 HB3 ASP A 358 4.964 9.368 -10.681 1.00 0.00 H new ATOM 846 N LEU A 359 5.004 5.925 -8.932 1.00 0.00 N ATOM 847 CA LEU A 359 4.818 4.628 -9.640 1.00 0.00 C ATOM 848 C LEU A 359 3.707 4.731 -10.689 1.00 0.00 C ATOM 849 O LEU A 359 2.541 4.842 -10.367 1.00 0.00 O ATOM 850 CB LEU A 359 4.423 3.640 -8.547 1.00 0.00 C ATOM 851 CG LEU A 359 5.426 2.486 -8.511 1.00 0.00 C ATOM 852 CD1 LEU A 359 5.523 1.851 -9.899 1.00 0.00 C ATOM 853 CD2 LEU A 359 6.800 3.015 -8.096 1.00 0.00 C ATOM 0 H LEU A 359 5.135 5.851 -7.923 1.00 0.00 H new ATOM 0 HA LEU A 359 5.719 4.323 -10.172 1.00 0.00 H new ATOM 0 HB2 LEU A 359 4.397 4.143 -7.580 1.00 0.00 H new ATOM 0 HB3 LEU A 359 3.420 3.257 -8.734 1.00 0.00 H new ATOM 0 HG LEU A 359 5.092 1.739 -7.791 1.00 0.00 H new ATOM 0 HD11 LEU A 359 6.238 1.028 -9.874 1.00 0.00 H new ATOM 0 HD12 LEU A 359 4.545 1.473 -10.195 1.00 0.00 H new ATOM 0 HD13 LEU A 359 5.856 2.599 -10.619 1.00 0.00 H new ATOM 0 HD21 LEU A 359 7.514 2.192 -8.071 1.00 0.00 H new ATOM 0 HD22 LEU A 359 7.134 3.763 -8.815 1.00 0.00 H new ATOM 0 HD23 LEU A 359 6.732 3.467 -7.107 1.00 0.00 H new ATOM 865 N THR A 360 4.064 4.675 -11.941 1.00 0.00 N ATOM 866 CA THR A 360 3.036 4.747 -13.020 1.00 0.00 C ATOM 867 C THR A 360 3.076 3.452 -13.835 1.00 0.00 C ATOM 868 O THR A 360 2.125 2.695 -13.870 1.00 0.00 O ATOM 869 CB THR A 360 3.435 5.945 -13.886 1.00 0.00 C ATOM 870 OG1 THR A 360 4.655 6.496 -13.409 1.00 0.00 O ATOM 871 CG2 THR A 360 2.336 7.007 -13.826 1.00 0.00 C ATOM 0 H THR A 360 5.026 4.582 -12.266 1.00 0.00 H new ATOM 0 HA THR A 360 2.024 4.863 -12.631 1.00 0.00 H new ATOM 0 HB THR A 360 3.567 5.617 -14.917 1.00 0.00 H new ATOM 0 HG1 THR A 360 4.498 6.946 -12.553 1.00 0.00 H new ATOM 0 HG21 THR A 360 2.620 7.860 -14.442 1.00 0.00 H new ATOM 0 HG22 THR A 360 1.402 6.586 -14.198 1.00 0.00 H new ATOM 0 HG23 THR A 360 2.202 7.334 -12.795 1.00 0.00 H new ATOM 879 N GLU A 361 4.185 3.183 -14.468 1.00 0.00 N ATOM 880 CA GLU A 361 4.302 1.927 -15.260 1.00 0.00 C ATOM 881 C GLU A 361 4.430 0.743 -14.302 1.00 0.00 C ATOM 882 O GLU A 361 3.605 -0.150 -14.287 1.00 0.00 O ATOM 883 CB GLU A 361 5.577 2.092 -16.088 1.00 0.00 C ATOM 884 CG GLU A 361 5.434 3.305 -17.009 1.00 0.00 C ATOM 885 CD GLU A 361 6.238 4.475 -16.440 1.00 0.00 C ATOM 886 OE1 GLU A 361 5.853 4.982 -15.398 1.00 0.00 O ATOM 887 OE2 GLU A 361 7.223 4.847 -17.055 1.00 0.00 O ATOM 0 H GLU A 361 5.014 3.778 -14.471 1.00 0.00 H new ATOM 0 HA GLU A 361 3.436 1.745 -15.897 1.00 0.00 H new ATOM 0 HB2 GLU A 361 6.436 2.221 -15.430 1.00 0.00 H new ATOM 0 HB3 GLU A 361 5.759 1.194 -16.678 1.00 0.00 H new ATOM 0 HG2 GLU A 361 5.789 3.059 -18.010 1.00 0.00 H new ATOM 0 HG3 GLU A 361 4.384 3.583 -17.102 1.00 0.00 H new ATOM 894 N ARG A 362 5.449 0.739 -13.485 1.00 0.00 N ATOM 895 CA ARG A 362 5.612 -0.376 -12.515 1.00 0.00 C ATOM 896 C ARG A 362 4.368 -0.451 -11.628 1.00 0.00 C ATOM 897 O ARG A 362 4.071 -1.470 -11.038 1.00 0.00 O ATOM 898 CB ARG A 362 6.851 -0.020 -11.691 1.00 0.00 C ATOM 899 CG ARG A 362 8.029 -0.886 -12.145 1.00 0.00 C ATOM 900 CD ARG A 362 9.255 0.000 -12.379 1.00 0.00 C ATOM 901 NE ARG A 362 9.182 0.384 -13.816 1.00 0.00 N ATOM 902 CZ ARG A 362 10.241 0.845 -14.424 1.00 0.00 C ATOM 903 NH1 ARG A 362 10.837 1.916 -13.976 1.00 0.00 N ATOM 904 NH2 ARG A 362 10.706 0.233 -15.479 1.00 0.00 N ATOM 0 H ARG A 362 6.172 1.458 -13.449 1.00 0.00 H new ATOM 0 HA ARG A 362 5.729 -1.346 -12.999 1.00 0.00 H new ATOM 0 HB2 ARG A 362 7.093 1.036 -11.814 1.00 0.00 H new ATOM 0 HB3 ARG A 362 6.655 -0.180 -10.631 1.00 0.00 H new ATOM 0 HG2 ARG A 362 8.251 -1.640 -11.390 1.00 0.00 H new ATOM 0 HG3 ARG A 362 7.771 -1.418 -13.061 1.00 0.00 H new ATOM 0 HD2 ARG A 362 9.236 0.878 -11.734 1.00 0.00 H new ATOM 0 HD3 ARG A 362 10.178 -0.537 -12.160 1.00 0.00 H new ATOM 0 HE ARG A 362 8.304 0.287 -14.326 1.00 0.00 H new ATOM 0 HH11 ARG A 362 10.475 2.393 -13.150 1.00 0.00 H new ATOM 0 HH12 ARG A 362 11.665 2.276 -14.452 1.00 0.00 H new ATOM 0 HH21 ARG A 362 10.242 -0.605 -15.828 1.00 0.00 H new ATOM 0 HH22 ARG A 362 11.534 0.593 -15.954 1.00 0.00 H new ATOM 918 N LYS A 363 3.626 0.623 -11.549 1.00 0.00 N ATOM 919 CA LYS A 363 2.387 0.610 -10.722 1.00 0.00 C ATOM 920 C LYS A 363 1.398 -0.383 -11.328 1.00 0.00 C ATOM 921 O LYS A 363 0.945 -1.306 -10.677 1.00 0.00 O ATOM 922 CB LYS A 363 1.836 2.035 -10.801 1.00 0.00 C ATOM 923 CG LYS A 363 0.447 2.081 -10.161 1.00 0.00 C ATOM 924 CD LYS A 363 -0.554 2.675 -11.153 1.00 0.00 C ATOM 925 CE LYS A 363 -1.616 3.471 -10.391 1.00 0.00 C ATOM 926 NZ LYS A 363 -1.597 4.827 -11.008 1.00 0.00 N ATOM 0 H LYS A 363 3.825 1.505 -12.021 1.00 0.00 H new ATOM 0 HA LYS A 363 2.568 0.312 -9.689 1.00 0.00 H new ATOM 0 HB2 LYS A 363 2.507 2.725 -10.289 1.00 0.00 H new ATOM 0 HB3 LYS A 363 1.780 2.358 -11.841 1.00 0.00 H new ATOM 0 HG2 LYS A 363 0.135 1.078 -9.871 1.00 0.00 H new ATOM 0 HG3 LYS A 363 0.474 2.682 -9.252 1.00 0.00 H new ATOM 0 HD2 LYS A 363 -0.039 3.322 -11.863 1.00 0.00 H new ATOM 0 HD3 LYS A 363 -1.025 1.880 -11.731 1.00 0.00 H new ATOM 0 HE2 LYS A 363 -2.599 3.008 -10.484 1.00 0.00 H new ATOM 0 HE3 LYS A 363 -1.386 3.518 -9.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 363 -2.521 5.285 -10.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 363 -0.855 5.402 -10.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 363 -1.402 4.742 -12.026 1.00 0.00 H new ATOM 940 N ASP A 364 1.075 -0.212 -12.583 1.00 0.00 N ATOM 941 CA ASP A 364 0.136 -1.162 -13.238 1.00 0.00 C ATOM 942 C ASP A 364 0.661 -2.587 -13.054 1.00 0.00 C ATOM 943 O ASP A 364 -0.095 -3.528 -12.908 1.00 0.00 O ATOM 944 CB ASP A 364 0.135 -0.770 -14.716 1.00 0.00 C ATOM 945 CG ASP A 364 -0.126 0.732 -14.844 1.00 0.00 C ATOM 946 OD1 ASP A 364 -1.137 1.183 -14.331 1.00 0.00 O ATOM 947 OD2 ASP A 364 0.690 1.406 -15.452 1.00 0.00 O ATOM 0 H ASP A 364 1.420 0.541 -13.178 1.00 0.00 H new ATOM 0 HA ASP A 364 -0.869 -1.124 -12.819 1.00 0.00 H new ATOM 0 HB2 ASP A 364 1.092 -1.024 -15.171 1.00 0.00 H new ATOM 0 HB3 ASP A 364 -0.631 -1.330 -15.252 1.00 0.00 H new ATOM 952 N PHE A 365 1.958 -2.747 -13.042 1.00 0.00 N ATOM 953 CA PHE A 365 2.544 -4.103 -12.849 1.00 0.00 C ATOM 954 C PHE A 365 2.129 -4.641 -11.475 1.00 0.00 C ATOM 955 O PHE A 365 1.750 -5.787 -11.334 1.00 0.00 O ATOM 956 CB PHE A 365 4.063 -3.888 -12.933 1.00 0.00 C ATOM 957 CG PHE A 365 4.790 -4.951 -12.140 1.00 0.00 C ATOM 958 CD1 PHE A 365 4.749 -6.287 -12.555 1.00 0.00 C ATOM 959 CD2 PHE A 365 5.506 -4.596 -10.990 1.00 0.00 C ATOM 960 CE1 PHE A 365 5.424 -7.269 -11.819 1.00 0.00 C ATOM 961 CE2 PHE A 365 6.180 -5.578 -10.255 1.00 0.00 C ATOM 962 CZ PHE A 365 6.139 -6.914 -10.669 1.00 0.00 C ATOM 0 H PHE A 365 2.637 -1.995 -13.158 1.00 0.00 H new ATOM 0 HA PHE A 365 2.207 -4.829 -13.589 1.00 0.00 H new ATOM 0 HB2 PHE A 365 4.384 -3.919 -13.974 1.00 0.00 H new ATOM 0 HB3 PHE A 365 4.319 -2.900 -12.549 1.00 0.00 H new ATOM 0 HD1 PHE A 365 4.197 -6.561 -13.442 1.00 0.00 H new ATOM 0 HD2 PHE A 365 5.538 -3.565 -10.670 1.00 0.00 H new ATOM 0 HE1 PHE A 365 5.393 -8.300 -12.139 1.00 0.00 H new ATOM 0 HE2 PHE A 365 6.732 -5.304 -9.368 1.00 0.00 H new ATOM 0 HZ PHE A 365 6.659 -7.671 -10.101 1.00 0.00 H new ATOM 972 N ILE A 366 2.186 -3.815 -10.465 1.00 0.00 N ATOM 973 CA ILE A 366 1.785 -4.274 -9.105 1.00 0.00 C ATOM 974 C ILE A 366 0.359 -4.826 -9.151 1.00 0.00 C ATOM 975 O ILE A 366 0.129 -5.998 -8.932 1.00 0.00 O ATOM 976 CB ILE A 366 1.851 -3.025 -8.226 1.00 0.00 C ATOM 977 CG1 ILE A 366 3.293 -2.511 -8.179 1.00 0.00 C ATOM 978 CG2 ILE A 366 1.387 -3.372 -6.810 1.00 0.00 C ATOM 979 CD1 ILE A 366 3.325 -1.140 -7.503 1.00 0.00 C ATOM 0 H ILE A 366 2.492 -2.844 -10.523 1.00 0.00 H new ATOM 0 HA ILE A 366 2.428 -5.067 -8.724 1.00 0.00 H new ATOM 0 HB ILE A 366 1.203 -2.253 -8.641 1.00 0.00 H new ATOM 0 HG12 ILE A 366 3.923 -3.213 -7.632 1.00 0.00 H new ATOM 0 HG13 ILE A 366 3.698 -2.440 -9.189 1.00 0.00 H new ATOM 0 HG21 ILE A 366 1.434 -2.481 -6.183 1.00 0.00 H new ATOM 0 HG22 ILE A 366 0.361 -3.739 -6.843 1.00 0.00 H new ATOM 0 HG23 ILE A 366 2.035 -4.143 -6.394 1.00 0.00 H new ATOM 0 HD11 ILE A 366 4.351 -0.775 -7.470 1.00 0.00 H new ATOM 0 HD12 ILE A 366 2.709 -0.441 -8.069 1.00 0.00 H new ATOM 0 HD13 ILE A 366 2.937 -1.226 -6.488 1.00 0.00 H new ATOM 991 N LYS A 367 -0.601 -3.991 -9.444 1.00 0.00 N ATOM 992 CA LYS A 367 -2.007 -4.478 -9.513 1.00 0.00 C ATOM 993 C LYS A 367 -2.053 -5.793 -10.294 1.00 0.00 C ATOM 994 O LYS A 367 -2.712 -6.737 -9.905 1.00 0.00 O ATOM 995 CB LYS A 367 -2.776 -3.384 -10.254 1.00 0.00 C ATOM 996 CG LYS A 367 -4.132 -3.930 -10.706 1.00 0.00 C ATOM 997 CD LYS A 367 -4.143 -4.077 -12.228 1.00 0.00 C ATOM 998 CE LYS A 367 -3.893 -2.713 -12.873 1.00 0.00 C ATOM 999 NZ LYS A 367 -4.590 -2.775 -14.188 1.00 0.00 N ATOM 0 H LYS A 367 -0.473 -2.998 -9.638 1.00 0.00 H new ATOM 0 HA LYS A 367 -2.433 -4.668 -8.528 1.00 0.00 H new ATOM 0 HB2 LYS A 367 -2.918 -2.521 -9.604 1.00 0.00 H new ATOM 0 HB3 LYS A 367 -2.204 -3.043 -11.117 1.00 0.00 H new ATOM 0 HG2 LYS A 367 -4.322 -4.895 -10.236 1.00 0.00 H new ATOM 0 HG3 LYS A 367 -4.930 -3.258 -10.389 1.00 0.00 H new ATOM 0 HD2 LYS A 367 -3.376 -4.786 -12.541 1.00 0.00 H new ATOM 0 HD3 LYS A 367 -5.101 -4.478 -12.559 1.00 0.00 H new ATOM 0 HE2 LYS A 367 -4.287 -1.906 -12.255 1.00 0.00 H new ATOM 0 HE3 LYS A 367 -2.827 -2.526 -13.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 367 -4.464 -1.873 -14.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 367 -4.189 -3.548 -14.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 367 -5.604 -2.947 -14.036 1.00 0.00 H new ATOM 1013 N THR A 368 -1.350 -5.860 -11.391 1.00 0.00 N ATOM 1014 CA THR A 368 -1.343 -7.110 -12.200 1.00 0.00 C ATOM 1015 C THR A 368 -0.758 -8.266 -11.381 1.00 0.00 C ATOM 1016 O THR A 368 -1.054 -9.419 -11.622 1.00 0.00 O ATOM 1017 CB THR A 368 -0.451 -6.801 -13.404 1.00 0.00 C ATOM 1018 OG1 THR A 368 -0.796 -5.526 -13.933 1.00 0.00 O ATOM 1019 CG2 THR A 368 -0.644 -7.877 -14.475 1.00 0.00 C ATOM 0 H THR A 368 -0.779 -5.101 -11.762 1.00 0.00 H new ATOM 0 HA THR A 368 -2.346 -7.410 -12.504 1.00 0.00 H new ATOM 0 HB THR A 368 0.593 -6.791 -13.092 1.00 0.00 H new ATOM 0 HG1 THR A 368 -0.107 -4.873 -13.688 1.00 0.00 H new ATOM 0 HG21 THR A 368 -0.008 -7.656 -15.332 1.00 0.00 H new ATOM 0 HG22 THR A 368 -0.375 -8.851 -14.065 1.00 0.00 H new ATOM 0 HG23 THR A 368 -1.687 -7.892 -14.792 1.00 0.00 H new ATOM 1027 N THR A 369 0.069 -7.969 -10.415 1.00 0.00 N ATOM 1028 CA THR A 369 0.665 -9.059 -9.591 1.00 0.00 C ATOM 1029 C THR A 369 -0.418 -9.704 -8.720 1.00 0.00 C ATOM 1030 O THR A 369 -0.503 -10.911 -8.608 1.00 0.00 O ATOM 1031 CB THR A 369 1.755 -8.373 -8.744 1.00 0.00 C ATOM 1032 OG1 THR A 369 2.883 -9.233 -8.654 1.00 0.00 O ATOM 1033 CG2 THR A 369 1.245 -8.063 -7.330 1.00 0.00 C ATOM 0 H THR A 369 0.356 -7.024 -10.162 1.00 0.00 H new ATOM 0 HA THR A 369 1.090 -9.863 -10.192 1.00 0.00 H new ATOM 0 HB THR A 369 2.027 -7.434 -9.226 1.00 0.00 H new ATOM 0 HG1 THR A 369 3.581 -8.802 -8.118 1.00 0.00 H new ATOM 0 HG21 THR A 369 2.035 -7.580 -6.756 1.00 0.00 H new ATOM 0 HG22 THR A 369 0.383 -7.399 -7.392 1.00 0.00 H new ATOM 0 HG23 THR A 369 0.954 -8.990 -6.837 1.00 0.00 H new ATOM 1041 N VAL A 370 -1.251 -8.906 -8.112 1.00 0.00 N ATOM 1042 CA VAL A 370 -2.332 -9.472 -7.258 1.00 0.00 C ATOM 1043 C VAL A 370 -3.382 -10.153 -8.139 1.00 0.00 C ATOM 1044 O VAL A 370 -3.883 -11.213 -7.821 1.00 0.00 O ATOM 1045 CB VAL A 370 -2.929 -8.269 -6.531 1.00 0.00 C ATOM 1046 CG1 VAL A 370 -4.153 -8.712 -5.729 1.00 0.00 C ATOM 1047 CG2 VAL A 370 -1.882 -7.682 -5.581 1.00 0.00 C ATOM 0 H VAL A 370 -1.230 -7.888 -8.169 1.00 0.00 H new ATOM 0 HA VAL A 370 -1.967 -10.224 -6.558 1.00 0.00 H new ATOM 0 HB VAL A 370 -3.227 -7.514 -7.259 1.00 0.00 H new ATOM 0 HG11 VAL A 370 -4.579 -7.853 -5.210 1.00 0.00 H new ATOM 0 HG12 VAL A 370 -4.897 -9.133 -6.404 1.00 0.00 H new ATOM 0 HG13 VAL A 370 -3.857 -9.466 -5.000 1.00 0.00 H new ATOM 0 HG21 VAL A 370 -2.304 -6.823 -5.060 1.00 0.00 H new ATOM 0 HG22 VAL A 370 -1.586 -8.438 -4.854 1.00 0.00 H new ATOM 0 HG23 VAL A 370 -1.009 -7.367 -6.152 1.00 0.00 H new ATOM 1057 N LYS A 371 -3.713 -9.556 -9.252 1.00 0.00 N ATOM 1058 CA LYS A 371 -4.722 -10.174 -10.158 1.00 0.00 C ATOM 1059 C LYS A 371 -4.155 -11.464 -10.759 1.00 0.00 C ATOM 1060 O LYS A 371 -4.876 -12.404 -11.034 1.00 0.00 O ATOM 1061 CB LYS A 371 -4.965 -9.132 -11.250 1.00 0.00 C ATOM 1062 CG LYS A 371 -5.740 -9.770 -12.405 1.00 0.00 C ATOM 1063 CD LYS A 371 -6.274 -8.674 -13.329 1.00 0.00 C ATOM 1064 CE LYS A 371 -7.479 -7.995 -12.674 1.00 0.00 C ATOM 1065 NZ LYS A 371 -7.730 -6.780 -13.499 1.00 0.00 N ATOM 0 H LYS A 371 -3.328 -8.667 -9.573 1.00 0.00 H new ATOM 0 HA LYS A 371 -5.644 -10.438 -9.640 1.00 0.00 H new ATOM 0 HB2 LYS A 371 -5.525 -8.289 -10.845 1.00 0.00 H new ATOM 0 HB3 LYS A 371 -4.014 -8.739 -11.610 1.00 0.00 H new ATOM 0 HG2 LYS A 371 -5.092 -10.446 -12.962 1.00 0.00 H new ATOM 0 HG3 LYS A 371 -6.565 -10.367 -12.017 1.00 0.00 H new ATOM 0 HD2 LYS A 371 -5.494 -7.940 -13.528 1.00 0.00 H new ATOM 0 HD3 LYS A 371 -6.562 -9.102 -14.289 1.00 0.00 H new ATOM 0 HE2 LYS A 371 -8.348 -8.654 -12.666 1.00 0.00 H new ATOM 0 HE3 LYS A 371 -7.269 -7.732 -11.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 371 -8.543 -6.260 -13.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 371 -6.889 -6.169 -13.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 371 -7.934 -7.062 -14.479 1.00 0.00 H new ATOM 1079 N GLU A 372 -2.865 -11.516 -10.957 1.00 0.00 N ATOM 1080 CA GLU A 372 -2.249 -12.745 -11.531 1.00 0.00 C ATOM 1081 C GLU A 372 -2.280 -13.867 -10.494 1.00 0.00 C ATOM 1082 O GLU A 372 -2.330 -15.035 -10.825 1.00 0.00 O ATOM 1083 CB GLU A 372 -0.808 -12.351 -11.858 1.00 0.00 C ATOM 1084 CG GLU A 372 -0.094 -13.530 -12.520 1.00 0.00 C ATOM 1085 CD GLU A 372 1.041 -14.013 -11.616 1.00 0.00 C ATOM 1086 OE1 GLU A 372 0.744 -14.509 -10.541 1.00 0.00 O ATOM 1087 OE2 GLU A 372 2.186 -13.877 -12.011 1.00 0.00 O ATOM 0 H GLU A 372 -2.213 -10.761 -10.746 1.00 0.00 H new ATOM 0 HA GLU A 372 -2.777 -13.107 -12.413 1.00 0.00 H new ATOM 0 HB2 GLU A 372 -0.798 -11.487 -12.522 1.00 0.00 H new ATOM 0 HB3 GLU A 372 -0.284 -12.060 -10.948 1.00 0.00 H new ATOM 0 HG2 GLU A 372 -0.799 -14.341 -12.700 1.00 0.00 H new ATOM 0 HG3 GLU A 372 0.302 -13.230 -13.490 1.00 0.00 H new ATOM 1094 N LEU A 373 -2.261 -13.518 -9.237 1.00 0.00 N ATOM 1095 CA LEU A 373 -2.300 -14.555 -8.170 1.00 0.00 C ATOM 1096 C LEU A 373 -3.755 -14.979 -7.931 1.00 0.00 C ATOM 1097 O LEU A 373 -4.028 -16.054 -7.437 1.00 0.00 O ATOM 1098 CB LEU A 373 -1.688 -13.862 -6.938 1.00 0.00 C ATOM 1099 CG LEU A 373 -2.474 -14.210 -5.667 1.00 0.00 C ATOM 1100 CD1 LEU A 373 -1.606 -13.940 -4.437 1.00 0.00 C ATOM 1101 CD2 LEU A 373 -3.733 -13.344 -5.603 1.00 0.00 C ATOM 0 H LEU A 373 -2.220 -12.555 -8.903 1.00 0.00 H new ATOM 0 HA LEU A 373 -1.752 -15.464 -8.419 1.00 0.00 H new ATOM 0 HB2 LEU A 373 -0.648 -14.168 -6.823 1.00 0.00 H new ATOM 0 HB3 LEU A 373 -1.688 -12.782 -7.086 1.00 0.00 H new ATOM 0 HG LEU A 373 -2.753 -15.264 -5.686 1.00 0.00 H new ATOM 0 HD11 LEU A 373 -2.166 -14.188 -3.535 1.00 0.00 H new ATOM 0 HD12 LEU A 373 -0.706 -14.553 -4.485 1.00 0.00 H new ATOM 0 HD13 LEU A 373 -1.327 -12.887 -4.413 1.00 0.00 H new ATOM 0 HD21 LEU A 373 -4.296 -13.587 -4.702 1.00 0.00 H new ATOM 0 HD22 LEU A 373 -3.450 -12.292 -5.582 1.00 0.00 H new ATOM 0 HD23 LEU A 373 -4.351 -13.536 -6.480 1.00 0.00 H new ATOM 1113 N ILE A 374 -4.689 -14.137 -8.286 1.00 0.00 N ATOM 1114 CA ILE A 374 -6.123 -14.487 -8.084 1.00 0.00 C ATOM 1115 C ILE A 374 -6.577 -15.476 -9.161 1.00 0.00 C ATOM 1116 O ILE A 374 -7.489 -16.255 -8.959 1.00 0.00 O ATOM 1117 CB ILE A 374 -6.876 -13.163 -8.220 1.00 0.00 C ATOM 1118 CG1 ILE A 374 -6.689 -12.336 -6.948 1.00 0.00 C ATOM 1119 CG2 ILE A 374 -8.366 -13.442 -8.430 1.00 0.00 C ATOM 1120 CD1 ILE A 374 -7.356 -10.971 -7.126 1.00 0.00 C ATOM 0 H ILE A 374 -4.520 -13.223 -8.707 1.00 0.00 H new ATOM 0 HA ILE A 374 -6.304 -14.960 -7.119 1.00 0.00 H new ATOM 0 HB ILE A 374 -6.485 -12.610 -9.074 1.00 0.00 H new ATOM 0 HG12 ILE A 374 -7.124 -12.857 -6.095 1.00 0.00 H new ATOM 0 HG13 ILE A 374 -5.627 -12.209 -6.736 1.00 0.00 H new ATOM 0 HG21 ILE A 374 -8.903 -12.498 -8.527 1.00 0.00 H new ATOM 0 HG22 ILE A 374 -8.502 -14.031 -9.337 1.00 0.00 H new ATOM 0 HG23 ILE A 374 -8.756 -13.995 -7.576 1.00 0.00 H new ATOM 0 HD11 ILE A 374 -7.223 -10.380 -6.220 1.00 0.00 H new ATOM 0 HD12 ILE A 374 -6.900 -10.450 -7.968 1.00 0.00 H new ATOM 0 HD13 ILE A 374 -8.420 -11.108 -7.317 1.00 0.00 H new ATOM 1132 N SER A 375 -5.947 -15.452 -10.304 1.00 0.00 N ATOM 1133 CA SER A 375 -6.341 -16.388 -11.393 1.00 0.00 C ATOM 1134 C SER A 375 -5.514 -17.672 -11.306 1.00 0.00 C ATOM 1135 O SER A 375 -5.966 -18.740 -11.667 1.00 0.00 O ATOM 1136 CB SER A 375 -6.034 -15.638 -12.689 1.00 0.00 C ATOM 1137 OG SER A 375 -5.370 -16.511 -13.593 1.00 0.00 O ATOM 0 H SER A 375 -5.176 -14.824 -10.530 1.00 0.00 H new ATOM 0 HA SER A 375 -7.389 -16.680 -11.331 1.00 0.00 H new ATOM 0 HB2 SER A 375 -6.957 -15.268 -13.135 1.00 0.00 H new ATOM 0 HB3 SER A 375 -5.410 -14.769 -12.480 1.00 0.00 H new ATOM 0 HG SER A 375 -5.174 -16.032 -14.425 1.00 0.00 H new ATOM 1143 N LEU A 376 -4.303 -17.577 -10.828 1.00 0.00 N ATOM 1144 CA LEU A 376 -3.450 -18.793 -10.722 1.00 0.00 C ATOM 1145 C LEU A 376 -3.413 -19.290 -9.275 1.00 0.00 C ATOM 1146 O LEU A 376 -3.036 -20.413 -9.005 1.00 0.00 O ATOM 1147 CB LEU A 376 -2.060 -18.344 -11.172 1.00 0.00 C ATOM 1148 CG LEU A 376 -1.550 -19.281 -12.268 1.00 0.00 C ATOM 1149 CD1 LEU A 376 -2.337 -19.035 -13.556 1.00 0.00 C ATOM 1150 CD2 LEU A 376 -0.065 -19.010 -12.520 1.00 0.00 C ATOM 0 H LEU A 376 -3.869 -16.712 -10.507 1.00 0.00 H new ATOM 0 HA LEU A 376 -3.828 -19.616 -11.329 1.00 0.00 H new ATOM 0 HB2 LEU A 376 -2.100 -17.320 -11.544 1.00 0.00 H new ATOM 0 HB3 LEU A 376 -1.373 -18.349 -10.326 1.00 0.00 H new ATOM 0 HG LEU A 376 -1.683 -20.316 -11.952 1.00 0.00 H new ATOM 0 HD11 LEU A 376 -1.974 -19.703 -14.337 1.00 0.00 H new ATOM 0 HD12 LEU A 376 -3.395 -19.226 -13.378 1.00 0.00 H new ATOM 0 HD13 LEU A 376 -2.204 -18.000 -13.872 1.00 0.00 H new ATOM 0 HD21 LEU A 376 0.299 -19.677 -13.301 1.00 0.00 H new ATOM 0 HD22 LEU A 376 0.068 -17.975 -12.836 1.00 0.00 H new ATOM 0 HD23 LEU A 376 0.497 -19.184 -11.603 1.00 0.00 H new ATOM 1162 N GLU A 377 -3.805 -18.467 -8.345 1.00 0.00 N ATOM 1163 CA GLU A 377 -3.796 -18.895 -6.918 1.00 0.00 C ATOM 1164 C GLU A 377 -4.926 -18.199 -6.159 1.00 0.00 C ATOM 1165 O GLU A 377 -4.748 -17.727 -5.053 1.00 0.00 O ATOM 1166 CB GLU A 377 -2.432 -18.458 -6.383 1.00 0.00 C ATOM 1167 CG GLU A 377 -1.377 -19.495 -6.775 1.00 0.00 C ATOM 1168 CD GLU A 377 -0.123 -19.300 -5.921 1.00 0.00 C ATOM 1169 OE1 GLU A 377 0.504 -18.261 -6.052 1.00 0.00 O ATOM 1170 OE2 GLU A 377 0.190 -20.193 -5.151 1.00 0.00 O ATOM 0 H GLU A 377 -4.132 -17.515 -8.510 1.00 0.00 H new ATOM 0 HA GLU A 377 -3.949 -19.968 -6.802 1.00 0.00 H new ATOM 0 HB2 GLU A 377 -2.166 -17.481 -6.788 1.00 0.00 H new ATOM 0 HB3 GLU A 377 -2.471 -18.354 -5.299 1.00 0.00 H new ATOM 0 HG2 GLU A 377 -1.772 -20.501 -6.635 1.00 0.00 H new ATOM 0 HG3 GLU A 377 -1.129 -19.395 -7.832 1.00 0.00 H new ATOM 1177 N HIS A 378 -6.088 -18.133 -6.751 1.00 0.00 N ATOM 1178 CA HIS A 378 -7.242 -17.468 -6.075 1.00 0.00 C ATOM 1179 C HIS A 378 -7.259 -17.816 -4.583 1.00 0.00 C ATOM 1180 O HIS A 378 -6.785 -18.886 -4.239 1.00 0.00 O ATOM 1181 CB HIS A 378 -8.483 -18.033 -6.766 1.00 0.00 C ATOM 1182 CG HIS A 378 -8.405 -19.534 -6.782 1.00 0.00 C ATOM 1183 ND1 HIS A 378 -7.702 -20.407 -7.575 1.00 0.00 N flip ATOM 1184 CD2 HIS A 378 -9.115 -20.322 -5.890 1.00 0.00 C flip ATOM 1185 CE1 HIS A 378 -7.969 -21.715 -7.184 1.00 0.00 C flip ATOM 1186 NE2 HIS A 378 -8.826 -21.607 -6.165 1.00 0.00 N flip ATOM 1187 OXT HIS A 378 -7.747 -17.006 -3.812 1.00 0.00 O ATOM 0 H HIS A 378 -6.289 -18.512 -7.676 1.00 0.00 H new ATOM 0 HA HIS A 378 -7.190 -16.382 -6.147 1.00 0.00 H new ATOM 0 HB2 HIS A 378 -9.383 -17.710 -6.243 1.00 0.00 H new ATOM 0 HB3 HIS A 378 -8.552 -17.650 -7.784 1.00 0.00 H new ATOM 0 HD2 HIS A 378 -9.779 -19.969 -5.115 1.00 0.00 H new ATOM 0 HE1 HIS A 378 -7.569 -22.622 -7.612 1.00 0.00 H new ATOM 0 HE2 HIS A 378 -9.214 -22.402 -5.657 1.00 0.00 H new