USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=18 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 328 THR OG1 : rot 144:sc= 2.22 USER MOD Set 1.2: A 353 ASN : amide:sc= 0 X(o=0.57,f=0.36) USER MOD Set 1.3: A 354 TYR OH : rot 60:sc= -1.65 USER MOD Single : A 321 THR OG1 : rot 180:sc= 0.0106 USER MOD Single : A 326 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 330 LYS NZ :NH3+ 174:sc= 0.0292 (180deg=0.00527) USER MOD Single : A 331 LYS NZ :NH3+ 138:sc= 0 (180deg=-0.0231) USER MOD Single : A 335 SER OG : rot 180:sc= 0 USER MOD Single : A 337 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 342 THR OG1 : rot 180:sc= -0.0166 USER MOD Single : A 343 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 344 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.0887) USER MOD Single : A 345 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 347 CYS SG : rot 180:sc= 0 USER MOD Single : A 348 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 349 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 351 TYR OH : rot 180:sc= -1.5 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 -63:sc= 0.853 USER MOD Single : A 363 LYS NZ :NH3+ -159:sc= 0.0252 (180deg=-0.00969) USER MOD Single : A 367 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 368 THR OG1 : rot 94:sc= 0.796 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= -0.266 F(o=-1.1!,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 203 N PRO A 320 11.867 1.733 -7.236 1.00 0.00 N ATOM 204 CA PRO A 320 12.362 0.525 -6.532 1.00 0.00 C ATOM 205 C PRO A 320 12.403 -0.671 -7.488 1.00 0.00 C ATOM 206 O PRO A 320 11.436 -0.976 -8.156 1.00 0.00 O ATOM 207 CB PRO A 320 11.330 0.306 -5.427 1.00 0.00 C ATOM 208 CG PRO A 320 10.085 0.964 -5.929 1.00 0.00 C ATOM 209 CD PRO A 320 10.519 2.112 -6.802 1.00 0.00 C ATOM 0 HA PRO A 320 13.375 0.638 -6.145 1.00 0.00 H new ATOM 0 HB2 PRO A 320 11.169 -0.756 -5.242 1.00 0.00 H new ATOM 0 HB3 PRO A 320 11.659 0.747 -4.486 1.00 0.00 H new ATOM 0 HG2 PRO A 320 9.476 0.258 -6.494 1.00 0.00 H new ATOM 0 HG3 PRO A 320 9.474 1.319 -5.099 1.00 0.00 H new ATOM 0 HD2 PRO A 320 9.848 2.245 -7.651 1.00 0.00 H new ATOM 0 HD3 PRO A 320 10.526 3.053 -6.251 1.00 0.00 H new ATOM 217 N THR A 321 13.518 -1.345 -7.558 1.00 0.00 N ATOM 218 CA THR A 321 13.626 -2.520 -8.472 1.00 0.00 C ATOM 219 C THR A 321 12.350 -3.363 -8.407 1.00 0.00 C ATOM 220 O THR A 321 11.738 -3.501 -7.366 1.00 0.00 O ATOM 221 CB THR A 321 14.821 -3.320 -7.951 1.00 0.00 C ATOM 222 OG1 THR A 321 14.816 -3.303 -6.530 1.00 0.00 O ATOM 223 CG2 THR A 321 16.118 -2.696 -8.466 1.00 0.00 C ATOM 0 H THR A 321 14.360 -1.134 -7.022 1.00 0.00 H new ATOM 0 HA THR A 321 13.756 -2.221 -9.512 1.00 0.00 H new ATOM 0 HB THR A 321 14.752 -4.349 -8.303 1.00 0.00 H new ATOM 0 HG1 THR A 321 15.580 -3.817 -6.194 1.00 0.00 H new ATOM 0 HG21 THR A 321 16.969 -3.267 -8.094 1.00 0.00 H new ATOM 0 HG22 THR A 321 16.120 -2.709 -9.556 1.00 0.00 H new ATOM 0 HG23 THR A 321 16.191 -1.666 -8.116 1.00 0.00 H new ATOM 231 N ASP A 322 11.947 -3.931 -9.509 1.00 0.00 N ATOM 232 CA ASP A 322 10.713 -4.766 -9.508 1.00 0.00 C ATOM 233 C ASP A 322 10.703 -5.690 -8.287 1.00 0.00 C ATOM 234 O ASP A 322 9.664 -5.996 -7.737 1.00 0.00 O ATOM 235 CB ASP A 322 10.785 -5.584 -10.798 1.00 0.00 C ATOM 236 CG ASP A 322 12.032 -6.471 -10.772 1.00 0.00 C ATOM 237 OD1 ASP A 322 13.121 -5.930 -10.870 1.00 0.00 O ATOM 238 OD2 ASP A 322 11.875 -7.675 -10.655 1.00 0.00 O ATOM 0 H ASP A 322 12.418 -3.853 -10.410 1.00 0.00 H new ATOM 0 HA ASP A 322 9.806 -4.163 -9.459 1.00 0.00 H new ATOM 0 HB2 ASP A 322 9.891 -6.199 -10.902 1.00 0.00 H new ATOM 0 HB3 ASP A 322 10.817 -4.919 -11.661 1.00 0.00 H new ATOM 243 N GLU A 323 11.853 -6.136 -7.861 1.00 0.00 N ATOM 244 CA GLU A 323 11.910 -7.038 -6.675 1.00 0.00 C ATOM 245 C GLU A 323 11.327 -6.333 -5.448 1.00 0.00 C ATOM 246 O GLU A 323 10.492 -6.873 -4.750 1.00 0.00 O ATOM 247 CB GLU A 323 13.397 -7.331 -6.470 1.00 0.00 C ATOM 248 CG GLU A 323 13.678 -8.800 -6.791 1.00 0.00 C ATOM 249 CD GLU A 323 14.752 -9.333 -5.841 1.00 0.00 C ATOM 250 OE1 GLU A 323 14.701 -8.995 -4.670 1.00 0.00 O ATOM 251 OE2 GLU A 323 15.609 -10.069 -6.302 1.00 0.00 O ATOM 0 H GLU A 323 12.755 -5.915 -8.282 1.00 0.00 H new ATOM 0 HA GLU A 323 11.332 -7.951 -6.822 1.00 0.00 H new ATOM 0 HB2 GLU A 323 13.997 -6.686 -7.112 1.00 0.00 H new ATOM 0 HB3 GLU A 323 13.683 -7.112 -5.441 1.00 0.00 H new ATOM 0 HG2 GLU A 323 12.765 -9.386 -6.690 1.00 0.00 H new ATOM 0 HG3 GLU A 323 14.009 -8.901 -7.825 1.00 0.00 H new ATOM 258 N GLU A 324 11.756 -5.130 -5.181 1.00 0.00 N ATOM 259 CA GLU A 324 11.222 -4.396 -3.998 1.00 0.00 C ATOM 260 C GLU A 324 9.719 -4.157 -4.162 1.00 0.00 C ATOM 261 O GLU A 324 8.952 -4.295 -3.229 1.00 0.00 O ATOM 262 CB GLU A 324 11.978 -3.069 -3.979 1.00 0.00 C ATOM 263 CG GLU A 324 12.596 -2.853 -2.596 1.00 0.00 C ATOM 264 CD GLU A 324 11.788 -1.800 -1.835 1.00 0.00 C ATOM 265 OE1 GLU A 324 11.561 -0.739 -2.394 1.00 0.00 O ATOM 266 OE2 GLU A 324 11.411 -2.073 -0.708 1.00 0.00 O ATOM 0 H GLU A 324 12.452 -4.624 -5.729 1.00 0.00 H new ATOM 0 HA GLU A 324 11.357 -4.952 -3.070 1.00 0.00 H new ATOM 0 HB2 GLU A 324 12.757 -3.072 -4.741 1.00 0.00 H new ATOM 0 HB3 GLU A 324 11.301 -2.249 -4.218 1.00 0.00 H new ATOM 0 HG2 GLU A 324 12.606 -3.791 -2.040 1.00 0.00 H new ATOM 0 HG3 GLU A 324 13.632 -2.530 -2.695 1.00 0.00 H new ATOM 273 N LEU A 325 9.289 -3.804 -5.344 1.00 0.00 N ATOM 274 CA LEU A 325 7.836 -3.563 -5.569 1.00 0.00 C ATOM 275 C LEU A 325 7.040 -4.828 -5.244 1.00 0.00 C ATOM 276 O LEU A 325 6.132 -4.814 -4.438 1.00 0.00 O ATOM 277 CB LEU A 325 7.716 -3.220 -7.052 1.00 0.00 C ATOM 278 CG LEU A 325 7.588 -1.705 -7.213 1.00 0.00 C ATOM 279 CD1 LEU A 325 7.725 -1.336 -8.690 1.00 0.00 C ATOM 280 CD2 LEU A 325 6.219 -1.252 -6.698 1.00 0.00 C ATOM 0 H LEU A 325 9.882 -3.672 -6.163 1.00 0.00 H new ATOM 0 HA LEU A 325 7.444 -2.767 -4.936 1.00 0.00 H new ATOM 0 HB2 LEU A 325 8.591 -3.582 -7.592 1.00 0.00 H new ATOM 0 HB3 LEU A 325 6.847 -3.717 -7.483 1.00 0.00 H new ATOM 0 HG LEU A 325 8.373 -1.211 -6.641 1.00 0.00 H new ATOM 0 HD11 LEU A 325 7.634 -0.256 -8.805 1.00 0.00 H new ATOM 0 HD12 LEU A 325 8.699 -1.659 -9.057 1.00 0.00 H new ATOM 0 HD13 LEU A 325 6.940 -1.830 -9.263 1.00 0.00 H new ATOM 0 HD21 LEU A 325 6.126 -0.172 -6.812 1.00 0.00 H new ATOM 0 HD22 LEU A 325 5.433 -1.746 -7.270 1.00 0.00 H new ATOM 0 HD23 LEU A 325 6.121 -1.515 -5.645 1.00 0.00 H new ATOM 292 N LYS A 326 7.381 -5.926 -5.861 1.00 0.00 N ATOM 293 CA LYS A 326 6.652 -7.194 -5.583 1.00 0.00 C ATOM 294 C LYS A 326 6.712 -7.509 -4.088 1.00 0.00 C ATOM 295 O LYS A 326 5.715 -7.826 -3.469 1.00 0.00 O ATOM 296 CB LYS A 326 7.394 -8.259 -6.392 1.00 0.00 C ATOM 297 CG LYS A 326 6.616 -9.574 -6.343 1.00 0.00 C ATOM 298 CD LYS A 326 6.452 -10.123 -7.762 1.00 0.00 C ATOM 299 CE LYS A 326 7.082 -11.514 -7.849 1.00 0.00 C ATOM 300 NZ LYS A 326 6.056 -12.437 -7.290 1.00 0.00 N ATOM 0 H LYS A 326 8.133 -5.999 -6.546 1.00 0.00 H new ATOM 0 HA LYS A 326 5.598 -7.141 -5.855 1.00 0.00 H new ATOM 0 HB2 LYS A 326 7.509 -7.931 -7.425 1.00 0.00 H new ATOM 0 HB3 LYS A 326 8.397 -8.403 -5.990 1.00 0.00 H new ATOM 0 HG2 LYS A 326 7.142 -10.297 -5.720 1.00 0.00 H new ATOM 0 HG3 LYS A 326 5.638 -9.414 -5.888 1.00 0.00 H new ATOM 0 HD2 LYS A 326 5.395 -10.174 -8.023 1.00 0.00 H new ATOM 0 HD3 LYS A 326 6.925 -9.453 -8.479 1.00 0.00 H new ATOM 0 HE2 LYS A 326 7.326 -11.773 -8.879 1.00 0.00 H new ATOM 0 HE3 LYS A 326 8.010 -11.563 -7.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 326 6.416 -13.412 -7.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 326 5.848 -12.171 -6.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 326 5.186 -12.374 -7.857 1.00 0.00 H new ATOM 314 N GLU A 327 7.874 -7.418 -3.500 1.00 0.00 N ATOM 315 CA GLU A 327 7.998 -7.706 -2.042 1.00 0.00 C ATOM 316 C GLU A 327 6.921 -6.944 -1.265 1.00 0.00 C ATOM 317 O GLU A 327 6.374 -7.433 -0.296 1.00 0.00 O ATOM 318 CB GLU A 327 9.392 -7.208 -1.658 1.00 0.00 C ATOM 319 CG GLU A 327 9.921 -8.022 -0.476 1.00 0.00 C ATOM 320 CD GLU A 327 10.748 -9.198 -0.996 1.00 0.00 C ATOM 321 OE1 GLU A 327 10.410 -9.715 -2.049 1.00 0.00 O ATOM 322 OE2 GLU A 327 11.704 -9.564 -0.334 1.00 0.00 O ATOM 0 H GLU A 327 8.743 -7.157 -3.966 1.00 0.00 H new ATOM 0 HA GLU A 327 7.868 -8.764 -1.814 1.00 0.00 H new ATOM 0 HB2 GLU A 327 10.069 -7.300 -2.508 1.00 0.00 H new ATOM 0 HB3 GLU A 327 9.352 -6.151 -1.395 1.00 0.00 H new ATOM 0 HG2 GLU A 327 10.532 -7.391 0.169 1.00 0.00 H new ATOM 0 HG3 GLU A 327 9.091 -8.387 0.129 1.00 0.00 H new ATOM 329 N THR A 328 6.612 -5.747 -1.684 1.00 0.00 N ATOM 330 CA THR A 328 5.570 -4.957 -0.970 1.00 0.00 C ATOM 331 C THR A 328 4.194 -5.592 -1.173 1.00 0.00 C ATOM 332 O THR A 328 3.433 -5.758 -0.241 1.00 0.00 O ATOM 333 CB THR A 328 5.620 -3.569 -1.609 1.00 0.00 C ATOM 334 OG1 THR A 328 6.773 -2.878 -1.149 1.00 0.00 O ATOM 335 CG2 THR A 328 4.365 -2.783 -1.224 1.00 0.00 C ATOM 0 H THR A 328 7.035 -5.283 -2.488 1.00 0.00 H new ATOM 0 HA THR A 328 5.745 -4.918 0.105 1.00 0.00 H new ATOM 0 HB THR A 328 5.665 -3.670 -2.693 1.00 0.00 H new ATOM 0 HG1 THR A 328 7.135 -2.327 -1.874 1.00 0.00 H new ATOM 0 HG21 THR A 328 4.401 -1.794 -1.680 1.00 0.00 H new ATOM 0 HG22 THR A 328 3.481 -3.313 -1.578 1.00 0.00 H new ATOM 0 HG23 THR A 328 4.318 -2.681 -0.140 1.00 0.00 H new ATOM 343 N ILE A 329 3.865 -5.947 -2.385 1.00 0.00 N ATOM 344 CA ILE A 329 2.535 -6.566 -2.640 1.00 0.00 C ATOM 345 C ILE A 329 2.442 -7.932 -1.961 1.00 0.00 C ATOM 346 O ILE A 329 1.545 -8.186 -1.182 1.00 0.00 O ATOM 347 CB ILE A 329 2.447 -6.722 -4.155 1.00 0.00 C ATOM 348 CG1 ILE A 329 2.617 -5.355 -4.821 1.00 0.00 C ATOM 349 CG2 ILE A 329 1.079 -7.300 -4.517 1.00 0.00 C ATOM 350 CD1 ILE A 329 3.522 -5.494 -6.047 1.00 0.00 C ATOM 0 H ILE A 329 4.458 -5.835 -3.207 1.00 0.00 H new ATOM 0 HA ILE A 329 1.722 -5.957 -2.244 1.00 0.00 H new ATOM 0 HB ILE A 329 3.234 -7.391 -4.503 1.00 0.00 H new ATOM 0 HG12 ILE A 329 1.645 -4.959 -5.116 1.00 0.00 H new ATOM 0 HG13 ILE A 329 3.049 -4.646 -4.115 1.00 0.00 H new ATOM 0 HG21 ILE A 329 1.007 -7.415 -5.599 1.00 0.00 H new ATOM 0 HG22 ILE A 329 0.957 -8.272 -4.040 1.00 0.00 H new ATOM 0 HG23 ILE A 329 0.296 -6.625 -4.171 1.00 0.00 H new ATOM 0 HD11 ILE A 329 3.643 -4.520 -6.522 1.00 0.00 H new ATOM 0 HD12 ILE A 329 4.497 -5.871 -5.739 1.00 0.00 H new ATOM 0 HD13 ILE A 329 3.071 -6.189 -6.755 1.00 0.00 H new ATOM 362 N LYS A 330 3.360 -8.814 -2.245 1.00 0.00 N ATOM 363 CA LYS A 330 3.310 -10.159 -1.606 1.00 0.00 C ATOM 364 C LYS A 330 3.166 -9.999 -0.092 1.00 0.00 C ATOM 365 O LYS A 330 2.685 -10.879 0.592 1.00 0.00 O ATOM 366 CB LYS A 330 4.638 -10.828 -1.958 1.00 0.00 C ATOM 367 CG LYS A 330 5.789 -9.870 -1.656 1.00 0.00 C ATOM 368 CD LYS A 330 6.611 -10.414 -0.486 1.00 0.00 C ATOM 369 CE LYS A 330 7.054 -11.846 -0.796 1.00 0.00 C ATOM 370 NZ LYS A 330 8.493 -11.894 -0.414 1.00 0.00 N ATOM 0 H LYS A 330 4.138 -8.663 -2.888 1.00 0.00 H new ATOM 0 HA LYS A 330 2.465 -10.754 -1.952 1.00 0.00 H new ATOM 0 HB2 LYS A 330 4.757 -11.748 -1.385 1.00 0.00 H new ATOM 0 HB3 LYS A 330 4.649 -11.105 -3.012 1.00 0.00 H new ATOM 0 HG2 LYS A 330 6.421 -9.755 -2.536 1.00 0.00 H new ATOM 0 HG3 LYS A 330 5.399 -8.882 -1.412 1.00 0.00 H new ATOM 0 HD2 LYS A 330 7.482 -9.782 -0.314 1.00 0.00 H new ATOM 0 HD3 LYS A 330 6.018 -10.395 0.429 1.00 0.00 H new ATOM 0 HE2 LYS A 330 6.470 -12.571 -0.229 1.00 0.00 H new ATOM 0 HE3 LYS A 330 6.917 -12.082 -1.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 330 8.843 -12.869 -0.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 330 9.040 -11.272 -1.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 330 8.602 -11.574 0.569 1.00 0.00 H new ATOM 384 N LYS A 331 3.570 -8.874 0.431 1.00 0.00 N ATOM 385 CA LYS A 331 3.448 -8.650 1.899 1.00 0.00 C ATOM 386 C LYS A 331 2.007 -8.264 2.249 1.00 0.00 C ATOM 387 O LYS A 331 1.529 -8.528 3.335 1.00 0.00 O ATOM 388 CB LYS A 331 4.405 -7.499 2.209 1.00 0.00 C ATOM 389 CG LYS A 331 5.223 -7.838 3.457 1.00 0.00 C ATOM 390 CD LYS A 331 6.683 -7.439 3.236 1.00 0.00 C ATOM 391 CE LYS A 331 7.518 -8.690 2.948 1.00 0.00 C ATOM 392 NZ LYS A 331 7.779 -9.294 4.283 1.00 0.00 N ATOM 0 H LYS A 331 3.979 -8.101 -0.094 1.00 0.00 H new ATOM 0 HA LYS A 331 3.691 -9.542 2.477 1.00 0.00 H new ATOM 0 HB2 LYS A 331 5.069 -7.326 1.362 1.00 0.00 H new ATOM 0 HB3 LYS A 331 3.844 -6.578 2.368 1.00 0.00 H new ATOM 0 HG2 LYS A 331 4.819 -7.313 4.323 1.00 0.00 H new ATOM 0 HG3 LYS A 331 5.155 -8.905 3.670 1.00 0.00 H new ATOM 0 HD2 LYS A 331 6.758 -6.740 2.403 1.00 0.00 H new ATOM 0 HD3 LYS A 331 7.068 -6.927 4.118 1.00 0.00 H new ATOM 0 HE2 LYS A 331 6.981 -9.382 2.300 1.00 0.00 H new ATOM 0 HE3 LYS A 331 8.449 -8.435 2.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 331 7.668 -10.326 4.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 331 8.748 -9.067 4.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 331 7.104 -8.911 4.975 1.00 0.00 H new ATOM 406 N LEU A 332 1.309 -7.643 1.335 1.00 0.00 N ATOM 407 CA LEU A 332 -0.103 -7.247 1.615 1.00 0.00 C ATOM 408 C LEU A 332 -1.005 -8.484 1.605 1.00 0.00 C ATOM 409 O LEU A 332 -1.700 -8.769 2.560 1.00 0.00 O ATOM 410 CB LEU A 332 -0.492 -6.306 0.474 1.00 0.00 C ATOM 411 CG LEU A 332 0.505 -5.150 0.395 1.00 0.00 C ATOM 412 CD1 LEU A 332 0.418 -4.499 -0.988 1.00 0.00 C ATOM 413 CD2 LEU A 332 0.169 -4.113 1.469 1.00 0.00 C ATOM 0 H LEU A 332 1.655 -7.393 0.408 1.00 0.00 H new ATOM 0 HA LEU A 332 -0.209 -6.772 2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 332 -0.507 -6.851 -0.470 1.00 0.00 H new ATOM 0 HB3 LEU A 332 -1.499 -5.920 0.635 1.00 0.00 H new ATOM 0 HG LEU A 332 1.515 -5.527 0.558 1.00 0.00 H new ATOM 0 HD11 LEU A 332 1.128 -3.674 -1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 332 0.655 -5.238 -1.753 1.00 0.00 H new ATOM 0 HD13 LEU A 332 -0.592 -4.121 -1.149 1.00 0.00 H new ATOM 0 HD21 LEU A 332 0.880 -3.288 1.413 1.00 0.00 H new ATOM 0 HD22 LEU A 332 -0.840 -3.734 1.306 1.00 0.00 H new ATOM 0 HD23 LEU A 332 0.228 -4.577 2.454 1.00 0.00 H new ATOM 425 N LEU A 333 -0.998 -9.218 0.527 1.00 0.00 N ATOM 426 CA LEU A 333 -1.853 -10.436 0.444 1.00 0.00 C ATOM 427 C LEU A 333 -1.514 -11.399 1.585 1.00 0.00 C ATOM 428 O LEU A 333 -2.380 -12.042 2.145 1.00 0.00 O ATOM 429 CB LEU A 333 -1.516 -11.060 -0.909 1.00 0.00 C ATOM 430 CG LEU A 333 -1.760 -10.033 -2.018 1.00 0.00 C ATOM 431 CD1 LEU A 333 -0.709 -10.205 -3.115 1.00 0.00 C ATOM 432 CD2 LEU A 333 -3.154 -10.243 -2.614 1.00 0.00 C ATOM 0 H LEU A 333 -0.436 -9.027 -0.302 1.00 0.00 H new ATOM 0 HA LEU A 333 -2.915 -10.206 0.533 1.00 0.00 H new ATOM 0 HB2 LEU A 333 -0.476 -11.386 -0.923 1.00 0.00 H new ATOM 0 HB3 LEU A 333 -2.130 -11.945 -1.077 1.00 0.00 H new ATOM 0 HG LEU A 333 -1.690 -9.029 -1.601 1.00 0.00 H new ATOM 0 HD11 LEU A 333 -0.884 -9.474 -3.904 1.00 0.00 H new ATOM 0 HD12 LEU A 333 0.285 -10.054 -2.694 1.00 0.00 H new ATOM 0 HD13 LEU A 333 -0.778 -11.210 -3.531 1.00 0.00 H new ATOM 0 HD21 LEU A 333 -3.326 -9.511 -3.403 1.00 0.00 H new ATOM 0 HD22 LEU A 333 -3.224 -11.248 -3.030 1.00 0.00 H new ATOM 0 HD23 LEU A 333 -3.906 -10.119 -1.834 1.00 0.00 H new ATOM 444 N ALA A 334 -0.261 -11.502 1.936 1.00 0.00 N ATOM 445 CA ALA A 334 0.129 -12.423 3.044 1.00 0.00 C ATOM 446 C ALA A 334 -0.654 -12.085 4.316 1.00 0.00 C ATOM 447 O ALA A 334 -0.717 -12.867 5.243 1.00 0.00 O ATOM 448 CB ALA A 334 1.624 -12.180 3.254 1.00 0.00 C ATOM 0 H ALA A 334 0.509 -10.990 1.505 1.00 0.00 H new ATOM 0 HA ALA A 334 -0.086 -13.465 2.808 1.00 0.00 H new ATOM 0 HB1 ALA A 334 1.988 -12.822 4.056 1.00 0.00 H new ATOM 0 HB2 ALA A 334 2.162 -12.408 2.334 1.00 0.00 H new ATOM 0 HB3 ALA A 334 1.789 -11.136 3.522 1.00 0.00 H new ATOM 454 N SER A 335 -1.252 -10.925 4.368 1.00 0.00 N ATOM 455 CA SER A 335 -2.031 -10.540 5.580 1.00 0.00 C ATOM 456 C SER A 335 -3.523 -10.454 5.246 1.00 0.00 C ATOM 457 O SER A 335 -4.312 -9.933 6.011 1.00 0.00 O ATOM 458 CB SER A 335 -1.491 -9.166 5.977 1.00 0.00 C ATOM 459 OG SER A 335 -0.548 -9.321 7.030 1.00 0.00 O ATOM 0 H SER A 335 -1.235 -10.228 3.624 1.00 0.00 H new ATOM 0 HA SER A 335 -1.928 -11.267 6.385 1.00 0.00 H new ATOM 0 HB2 SER A 335 -1.021 -8.685 5.119 1.00 0.00 H new ATOM 0 HB3 SER A 335 -2.308 -8.519 6.297 1.00 0.00 H new ATOM 0 HG SER A 335 -0.197 -8.443 7.287 1.00 0.00 H new ATOM 465 N ALA A 336 -3.916 -10.960 4.111 1.00 0.00 N ATOM 466 CA ALA A 336 -5.357 -10.908 3.730 1.00 0.00 C ATOM 467 C ALA A 336 -5.717 -12.114 2.860 1.00 0.00 C ATOM 468 O ALA A 336 -4.862 -12.881 2.461 1.00 0.00 O ATOM 469 CB ALA A 336 -5.510 -9.611 2.936 1.00 0.00 C ATOM 0 H ALA A 336 -3.303 -11.408 3.430 1.00 0.00 H new ATOM 0 HA ALA A 336 -6.015 -10.935 4.599 1.00 0.00 H new ATOM 0 HB1 ALA A 336 -6.547 -9.499 2.618 1.00 0.00 H new ATOM 0 HB2 ALA A 336 -5.229 -8.765 3.563 1.00 0.00 H new ATOM 0 HB3 ALA A 336 -4.863 -9.643 2.059 1.00 0.00 H new ATOM 475 N ASN A 337 -6.975 -12.290 2.561 1.00 0.00 N ATOM 476 CA ASN A 337 -7.383 -13.447 1.715 1.00 0.00 C ATOM 477 C ASN A 337 -7.315 -13.068 0.234 1.00 0.00 C ATOM 478 O ASN A 337 -8.014 -12.186 -0.225 1.00 0.00 O ATOM 479 CB ASN A 337 -8.824 -13.751 2.127 1.00 0.00 C ATOM 480 CG ASN A 337 -8.825 -14.819 3.222 1.00 0.00 C ATOM 481 OD1 ASN A 337 -9.237 -15.940 2.994 1.00 0.00 O ATOM 482 ND2 ASN A 337 -8.378 -14.518 4.411 1.00 0.00 N ATOM 0 H ASN A 337 -7.737 -11.684 2.865 1.00 0.00 H new ATOM 0 HA ASN A 337 -6.731 -14.310 1.852 1.00 0.00 H new ATOM 0 HB2 ASN A 337 -9.310 -12.844 2.488 1.00 0.00 H new ATOM 0 HB3 ASN A 337 -9.395 -14.097 1.265 1.00 0.00 H new ATOM 0 HD21 ASN A 337 -8.374 -15.223 5.148 1.00 0.00 H new ATOM 0 HD22 ASN A 337 -8.032 -13.578 4.603 1.00 0.00 H new ATOM 489 N LEU A 338 -6.476 -13.726 -0.517 1.00 0.00 N ATOM 490 CA LEU A 338 -6.359 -13.403 -1.969 1.00 0.00 C ATOM 491 C LEU A 338 -7.750 -13.234 -2.585 1.00 0.00 C ATOM 492 O LEU A 338 -8.020 -12.271 -3.276 1.00 0.00 O ATOM 493 CB LEU A 338 -5.636 -14.601 -2.596 1.00 0.00 C ATOM 494 CG LEU A 338 -4.378 -14.950 -1.789 1.00 0.00 C ATOM 495 CD1 LEU A 338 -3.435 -15.784 -2.657 1.00 0.00 C ATOM 496 CD2 LEU A 338 -3.662 -13.668 -1.352 1.00 0.00 C ATOM 0 H LEU A 338 -5.865 -14.474 -0.189 1.00 0.00 H new ATOM 0 HA LEU A 338 -5.818 -12.472 -2.139 1.00 0.00 H new ATOM 0 HB2 LEU A 338 -6.305 -15.461 -2.629 1.00 0.00 H new ATOM 0 HB3 LEU A 338 -5.363 -14.371 -3.626 1.00 0.00 H new ATOM 0 HG LEU A 338 -4.667 -15.518 -0.905 1.00 0.00 H new ATOM 0 HD11 LEU A 338 -2.540 -16.033 -2.086 1.00 0.00 H new ATOM 0 HD12 LEU A 338 -3.938 -16.701 -2.963 1.00 0.00 H new ATOM 0 HD13 LEU A 338 -3.154 -15.212 -3.541 1.00 0.00 H new ATOM 0 HD21 LEU A 338 -2.771 -13.926 -0.780 1.00 0.00 H new ATOM 0 HD22 LEU A 338 -3.374 -13.094 -2.233 1.00 0.00 H new ATOM 0 HD23 LEU A 338 -4.331 -13.071 -0.732 1.00 0.00 H new ATOM 508 N GLU A 339 -8.634 -14.164 -2.343 1.00 0.00 N ATOM 509 CA GLU A 339 -10.007 -14.057 -2.918 1.00 0.00 C ATOM 510 C GLU A 339 -10.727 -12.836 -2.345 1.00 0.00 C ATOM 511 O GLU A 339 -11.763 -12.429 -2.833 1.00 0.00 O ATOM 512 CB GLU A 339 -10.716 -15.343 -2.493 1.00 0.00 C ATOM 513 CG GLU A 339 -10.716 -16.333 -3.658 1.00 0.00 C ATOM 514 CD GLU A 339 -9.394 -17.100 -3.674 1.00 0.00 C ATOM 515 OE1 GLU A 339 -8.393 -16.508 -4.039 1.00 0.00 O ATOM 516 OE2 GLU A 339 -9.406 -18.268 -3.322 1.00 0.00 O ATOM 0 H GLU A 339 -8.466 -14.993 -1.773 1.00 0.00 H new ATOM 0 HA GLU A 339 -9.992 -13.938 -4.001 1.00 0.00 H new ATOM 0 HB2 GLU A 339 -10.213 -15.780 -1.630 1.00 0.00 H new ATOM 0 HB3 GLU A 339 -11.739 -15.123 -2.188 1.00 0.00 H new ATOM 0 HG2 GLU A 339 -11.550 -17.027 -3.559 1.00 0.00 H new ATOM 0 HG3 GLU A 339 -10.852 -15.802 -4.600 1.00 0.00 H new ATOM 523 N GLU A 340 -10.189 -12.250 -1.311 1.00 0.00 N ATOM 524 CA GLU A 340 -10.846 -11.057 -0.707 1.00 0.00 C ATOM 525 C GLU A 340 -10.006 -9.801 -0.958 1.00 0.00 C ATOM 526 O GLU A 340 -10.011 -8.873 -0.174 1.00 0.00 O ATOM 527 CB GLU A 340 -10.921 -11.362 0.789 1.00 0.00 C ATOM 528 CG GLU A 340 -12.274 -10.903 1.337 1.00 0.00 C ATOM 529 CD GLU A 340 -12.068 -10.195 2.678 1.00 0.00 C ATOM 530 OE1 GLU A 340 -11.756 -9.015 2.661 1.00 0.00 O ATOM 531 OE2 GLU A 340 -12.228 -10.843 3.698 1.00 0.00 O ATOM 0 H GLU A 340 -9.324 -12.545 -0.859 1.00 0.00 H new ATOM 0 HA GLU A 340 -11.830 -10.868 -1.136 1.00 0.00 H new ATOM 0 HB2 GLU A 340 -10.791 -12.431 0.960 1.00 0.00 H new ATOM 0 HB3 GLU A 340 -10.113 -10.855 1.315 1.00 0.00 H new ATOM 0 HG2 GLU A 340 -12.756 -10.229 0.628 1.00 0.00 H new ATOM 0 HG3 GLU A 340 -12.936 -11.759 1.464 1.00 0.00 H new ATOM 538 N VAL A 341 -9.286 -9.763 -2.046 1.00 0.00 N ATOM 539 CA VAL A 341 -8.452 -8.564 -2.344 1.00 0.00 C ATOM 540 C VAL A 341 -8.827 -7.987 -3.713 1.00 0.00 C ATOM 541 O VAL A 341 -8.822 -8.679 -4.711 1.00 0.00 O ATOM 542 CB VAL A 341 -7.009 -9.072 -2.352 1.00 0.00 C ATOM 543 CG1 VAL A 341 -6.099 -8.011 -2.973 1.00 0.00 C ATOM 544 CG2 VAL A 341 -6.557 -9.351 -0.917 1.00 0.00 C ATOM 0 H VAL A 341 -9.239 -10.509 -2.740 1.00 0.00 H new ATOM 0 HA VAL A 341 -8.597 -7.769 -1.613 1.00 0.00 H new ATOM 0 HB VAL A 341 -6.951 -9.990 -2.937 1.00 0.00 H new ATOM 0 HG11 VAL A 341 -5.071 -8.372 -2.979 1.00 0.00 H new ATOM 0 HG12 VAL A 341 -6.419 -7.810 -3.995 1.00 0.00 H new ATOM 0 HG13 VAL A 341 -6.158 -7.093 -2.388 1.00 0.00 H new ATOM 0 HG21 VAL A 341 -5.529 -9.713 -0.923 1.00 0.00 H new ATOM 0 HG22 VAL A 341 -6.615 -8.433 -0.332 1.00 0.00 H new ATOM 0 HG23 VAL A 341 -7.205 -10.106 -0.472 1.00 0.00 H new ATOM 554 N THR A 342 -9.153 -6.724 -3.765 1.00 0.00 N ATOM 555 CA THR A 342 -9.530 -6.105 -5.068 1.00 0.00 C ATOM 556 C THR A 342 -8.477 -5.078 -5.494 1.00 0.00 C ATOM 557 O THR A 342 -7.590 -4.731 -4.738 1.00 0.00 O ATOM 558 CB THR A 342 -10.871 -5.418 -4.807 1.00 0.00 C ATOM 559 OG1 THR A 342 -11.383 -4.905 -6.030 1.00 0.00 O ATOM 560 CG2 THR A 342 -10.674 -4.274 -3.813 1.00 0.00 C ATOM 0 H THR A 342 -9.175 -6.095 -2.963 1.00 0.00 H new ATOM 0 HA THR A 342 -9.596 -6.841 -5.869 1.00 0.00 H new ATOM 0 HB THR A 342 -11.576 -6.138 -4.392 1.00 0.00 H new ATOM 0 HG1 THR A 342 -12.243 -4.466 -5.866 1.00 0.00 H new ATOM 0 HG21 THR A 342 -11.630 -3.785 -3.627 1.00 0.00 H new ATOM 0 HG22 THR A 342 -10.281 -4.669 -2.876 1.00 0.00 H new ATOM 0 HG23 THR A 342 -9.970 -3.551 -4.225 1.00 0.00 H new ATOM 568 N MET A 343 -8.568 -4.587 -6.700 1.00 0.00 N ATOM 569 CA MET A 343 -7.575 -3.581 -7.173 1.00 0.00 C ATOM 570 C MET A 343 -7.610 -2.344 -6.273 1.00 0.00 C ATOM 571 O MET A 343 -6.599 -1.721 -6.018 1.00 0.00 O ATOM 572 CB MET A 343 -8.014 -3.224 -8.594 1.00 0.00 C ATOM 573 CG MET A 343 -7.300 -4.134 -9.596 1.00 0.00 C ATOM 574 SD MET A 343 -8.132 -4.035 -11.200 1.00 0.00 S ATOM 575 CE MET A 343 -6.900 -3.005 -12.035 1.00 0.00 C ATOM 0 H MET A 343 -9.287 -4.839 -7.378 1.00 0.00 H new ATOM 0 HA MET A 343 -6.555 -3.964 -7.148 1.00 0.00 H new ATOM 0 HB2 MET A 343 -9.094 -3.336 -8.691 1.00 0.00 H new ATOM 0 HB3 MET A 343 -7.782 -2.180 -8.806 1.00 0.00 H new ATOM 0 HG2 MET A 343 -6.257 -3.834 -9.696 1.00 0.00 H new ATOM 0 HG3 MET A 343 -7.303 -5.163 -9.236 1.00 0.00 H new ATOM 0 HE1 MET A 343 -7.218 -2.816 -13.060 1.00 0.00 H new ATOM 0 HE2 MET A 343 -6.799 -2.057 -11.506 1.00 0.00 H new ATOM 0 HE3 MET A 343 -5.940 -3.520 -12.042 1.00 0.00 H new ATOM 585 N LYS A 344 -8.767 -1.983 -5.790 1.00 0.00 N ATOM 586 CA LYS A 344 -8.863 -0.787 -4.907 1.00 0.00 C ATOM 587 C LYS A 344 -7.858 -0.899 -3.759 1.00 0.00 C ATOM 588 O LYS A 344 -7.140 0.035 -3.457 1.00 0.00 O ATOM 589 CB LYS A 344 -10.294 -0.803 -4.368 1.00 0.00 C ATOM 590 CG LYS A 344 -10.669 0.596 -3.877 1.00 0.00 C ATOM 591 CD LYS A 344 -10.961 1.499 -5.078 1.00 0.00 C ATOM 592 CE LYS A 344 -10.181 2.808 -4.935 1.00 0.00 C ATOM 593 NZ LYS A 344 -10.889 3.561 -3.861 1.00 0.00 N ATOM 0 H LYS A 344 -9.649 -2.464 -5.968 1.00 0.00 H new ATOM 0 HA LYS A 344 -8.639 0.138 -5.439 1.00 0.00 H new ATOM 0 HB2 LYS A 344 -10.984 -1.123 -5.148 1.00 0.00 H new ATOM 0 HB3 LYS A 344 -10.379 -1.521 -3.553 1.00 0.00 H new ATOM 0 HG2 LYS A 344 -11.543 0.543 -3.228 1.00 0.00 H new ATOM 0 HG3 LYS A 344 -9.856 1.014 -3.283 1.00 0.00 H new ATOM 0 HD2 LYS A 344 -10.679 0.995 -6.002 1.00 0.00 H new ATOM 0 HD3 LYS A 344 -12.030 1.705 -5.140 1.00 0.00 H new ATOM 0 HE2 LYS A 344 -9.141 2.621 -4.667 1.00 0.00 H new ATOM 0 HE3 LYS A 344 -10.173 3.367 -5.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 344 -10.649 4.571 -3.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 344 -11.916 3.441 -3.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 344 -10.597 3.197 -2.932 1.00 0.00 H new ATOM 607 N GLN A 345 -7.798 -2.032 -3.116 1.00 0.00 N ATOM 608 CA GLN A 345 -6.836 -2.199 -1.989 1.00 0.00 C ATOM 609 C GLN A 345 -5.401 -2.191 -2.515 1.00 0.00 C ATOM 610 O GLN A 345 -4.624 -1.311 -2.209 1.00 0.00 O ATOM 611 CB GLN A 345 -7.175 -3.557 -1.373 1.00 0.00 C ATOM 612 CG GLN A 345 -6.981 -3.488 0.144 1.00 0.00 C ATOM 613 CD GLN A 345 -7.557 -4.749 0.791 1.00 0.00 C ATOM 614 OE1 GLN A 345 -8.622 -4.712 1.375 1.00 0.00 O ATOM 615 NE2 GLN A 345 -6.894 -5.870 0.713 1.00 0.00 N ATOM 0 H GLN A 345 -8.373 -2.849 -3.321 1.00 0.00 H new ATOM 0 HA GLN A 345 -6.911 -1.393 -1.260 1.00 0.00 H new ATOM 0 HB2 GLN A 345 -8.204 -3.829 -1.607 1.00 0.00 H new ATOM 0 HB3 GLN A 345 -6.536 -4.331 -1.798 1.00 0.00 H new ATOM 0 HG2 GLN A 345 -5.921 -3.396 0.382 1.00 0.00 H new ATOM 0 HG3 GLN A 345 -7.475 -2.603 0.544 1.00 0.00 H new ATOM 0 HE21 GLN A 345 -6.000 -5.901 0.223 1.00 0.00 H new ATOM 0 HE22 GLN A 345 -7.270 -6.716 1.142 1.00 0.00 H new ATOM 624 N ILE A 346 -5.041 -3.163 -3.308 1.00 0.00 N ATOM 625 CA ILE A 346 -3.653 -3.204 -3.853 1.00 0.00 C ATOM 626 C ILE A 346 -3.233 -1.809 -4.324 1.00 0.00 C ATOM 627 O ILE A 346 -2.075 -1.448 -4.272 1.00 0.00 O ATOM 628 CB ILE A 346 -3.718 -4.180 -5.030 1.00 0.00 C ATOM 629 CG1 ILE A 346 -3.994 -5.594 -4.507 1.00 0.00 C ATOM 630 CG2 ILE A 346 -2.386 -4.167 -5.786 1.00 0.00 C ATOM 631 CD1 ILE A 346 -3.092 -5.887 -3.304 1.00 0.00 C ATOM 0 H ILE A 346 -5.646 -3.930 -3.602 1.00 0.00 H new ATOM 0 HA ILE A 346 -2.922 -3.519 -3.108 1.00 0.00 H new ATOM 0 HB ILE A 346 -4.519 -3.878 -5.705 1.00 0.00 H new ATOM 0 HG12 ILE A 346 -5.041 -5.687 -4.219 1.00 0.00 H new ATOM 0 HG13 ILE A 346 -3.814 -6.325 -5.295 1.00 0.00 H new ATOM 0 HG21 ILE A 346 -2.436 -4.863 -6.623 1.00 0.00 H new ATOM 0 HG22 ILE A 346 -2.190 -3.162 -6.161 1.00 0.00 H new ATOM 0 HG23 ILE A 346 -1.583 -4.466 -5.113 1.00 0.00 H new ATOM 0 HD11 ILE A 346 -3.292 -6.893 -2.936 1.00 0.00 H new ATOM 0 HD12 ILE A 346 -2.047 -5.812 -3.606 1.00 0.00 H new ATOM 0 HD13 ILE A 346 -3.294 -5.165 -2.513 1.00 0.00 H new ATOM 643 N CYS A 347 -4.169 -1.021 -4.783 1.00 0.00 N ATOM 644 CA CYS A 347 -3.824 0.350 -5.258 1.00 0.00 C ATOM 645 C CYS A 347 -3.394 1.231 -4.080 1.00 0.00 C ATOM 646 O CYS A 347 -2.262 1.664 -3.997 1.00 0.00 O ATOM 647 CB CYS A 347 -5.111 0.886 -5.886 1.00 0.00 C ATOM 648 SG CYS A 347 -4.943 2.663 -6.188 1.00 0.00 S ATOM 0 H CYS A 347 -5.157 -1.268 -4.849 1.00 0.00 H new ATOM 0 HA CYS A 347 -2.995 0.344 -5.966 1.00 0.00 H new ATOM 0 HB2 CYS A 347 -5.316 0.365 -6.822 1.00 0.00 H new ATOM 0 HB3 CYS A 347 -5.957 0.697 -5.225 1.00 0.00 H new ATOM 0 HG CYS A 347 -6.037 3.117 -6.724 1.00 0.00 H new ATOM 654 N LYS A 348 -4.291 1.503 -3.170 1.00 0.00 N ATOM 655 CA LYS A 348 -3.934 2.360 -2.001 1.00 0.00 C ATOM 656 C LYS A 348 -2.859 1.681 -1.147 1.00 0.00 C ATOM 657 O LYS A 348 -2.104 2.330 -0.452 1.00 0.00 O ATOM 658 CB LYS A 348 -5.232 2.503 -1.207 1.00 0.00 C ATOM 659 CG LYS A 348 -5.492 3.982 -0.916 1.00 0.00 C ATOM 660 CD LYS A 348 -6.156 4.631 -2.132 1.00 0.00 C ATOM 661 CE LYS A 348 -7.677 4.507 -2.008 1.00 0.00 C ATOM 662 NZ LYS A 348 -8.093 5.688 -1.202 1.00 0.00 N ATOM 0 H LYS A 348 -5.255 1.169 -3.185 1.00 0.00 H new ATOM 0 HA LYS A 348 -3.530 3.325 -2.308 1.00 0.00 H new ATOM 0 HB2 LYS A 348 -6.064 2.081 -1.771 1.00 0.00 H new ATOM 0 HB3 LYS A 348 -5.163 1.944 -0.274 1.00 0.00 H new ATOM 0 HG2 LYS A 348 -6.133 4.084 -0.040 1.00 0.00 H new ATOM 0 HG3 LYS A 348 -4.555 4.489 -0.686 1.00 0.00 H new ATOM 0 HD2 LYS A 348 -5.870 5.681 -2.199 1.00 0.00 H new ATOM 0 HD3 LYS A 348 -5.814 4.148 -3.048 1.00 0.00 H new ATOM 0 HE2 LYS A 348 -8.155 4.509 -2.988 1.00 0.00 H new ATOM 0 HE3 LYS A 348 -7.959 3.575 -1.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 348 -9.125 5.674 -1.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 348 -7.628 5.655 -0.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 348 -7.817 6.560 -1.697 1.00 0.00 H new ATOM 676 N LYS A 349 -2.787 0.379 -1.193 1.00 0.00 N ATOM 677 CA LYS A 349 -1.763 -0.339 -0.382 1.00 0.00 C ATOM 678 C LYS A 349 -0.368 -0.089 -0.959 1.00 0.00 C ATOM 679 O LYS A 349 0.437 0.614 -0.378 1.00 0.00 O ATOM 680 CB LYS A 349 -2.135 -1.817 -0.493 1.00 0.00 C ATOM 681 CG LYS A 349 -3.424 -2.079 0.286 1.00 0.00 C ATOM 682 CD LYS A 349 -3.086 -2.350 1.753 1.00 0.00 C ATOM 683 CE LYS A 349 -4.373 -2.381 2.579 1.00 0.00 C ATOM 684 NZ LYS A 349 -4.163 -3.470 3.573 1.00 0.00 N ATOM 0 H LYS A 349 -3.392 -0.218 -1.756 1.00 0.00 H new ATOM 0 HA LYS A 349 -1.743 -0.003 0.655 1.00 0.00 H new ATOM 0 HB2 LYS A 349 -2.268 -2.092 -1.539 1.00 0.00 H new ATOM 0 HB3 LYS A 349 -1.328 -2.436 -0.101 1.00 0.00 H new ATOM 0 HG2 LYS A 349 -4.090 -1.220 0.208 1.00 0.00 H new ATOM 0 HG3 LYS A 349 -3.952 -2.932 -0.140 1.00 0.00 H new ATOM 0 HD2 LYS A 349 -2.559 -3.300 1.846 1.00 0.00 H new ATOM 0 HD3 LYS A 349 -2.418 -1.577 2.132 1.00 0.00 H new ATOM 0 HE2 LYS A 349 -4.550 -1.425 3.072 1.00 0.00 H new ATOM 0 HE3 LYS A 349 -5.241 -2.581 1.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 349 -5.004 -3.554 4.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 349 -4.004 -4.369 3.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 349 -3.334 -3.249 4.161 1.00 0.00 H new ATOM 698 N VAL A 350 -0.075 -0.654 -2.098 1.00 0.00 N ATOM 699 CA VAL A 350 1.267 -0.441 -2.708 1.00 0.00 C ATOM 700 C VAL A 350 1.653 1.036 -2.605 1.00 0.00 C ATOM 701 O VAL A 350 2.685 1.382 -2.067 1.00 0.00 O ATOM 702 CB VAL A 350 1.112 -0.858 -4.169 1.00 0.00 C ATOM 703 CG1 VAL A 350 2.387 -0.509 -4.938 1.00 0.00 C ATOM 704 CG2 VAL A 350 0.869 -2.367 -4.244 1.00 0.00 C ATOM 0 H VAL A 350 -0.706 -1.253 -2.631 1.00 0.00 H new ATOM 0 HA VAL A 350 2.049 -1.013 -2.208 1.00 0.00 H new ATOM 0 HB VAL A 350 0.266 -0.330 -4.610 1.00 0.00 H new ATOM 0 HG11 VAL A 350 2.276 -0.807 -5.981 1.00 0.00 H new ATOM 0 HG12 VAL A 350 2.562 0.566 -4.884 1.00 0.00 H new ATOM 0 HG13 VAL A 350 3.233 -1.037 -4.498 1.00 0.00 H new ATOM 0 HG21 VAL A 350 0.758 -2.666 -5.286 1.00 0.00 H new ATOM 0 HG22 VAL A 350 1.715 -2.894 -3.803 1.00 0.00 H new ATOM 0 HG23 VAL A 350 -0.040 -2.617 -3.696 1.00 0.00 H new ATOM 714 N TYR A 351 0.826 1.912 -3.108 1.00 0.00 N ATOM 715 CA TYR A 351 1.142 3.366 -3.025 1.00 0.00 C ATOM 716 C TYR A 351 1.625 3.710 -1.616 1.00 0.00 C ATOM 717 O TYR A 351 2.615 4.390 -1.436 1.00 0.00 O ATOM 718 CB TYR A 351 -0.177 4.078 -3.335 1.00 0.00 C ATOM 719 CG TYR A 351 -0.297 4.330 -4.825 1.00 0.00 C ATOM 720 CD1 TYR A 351 0.565 3.688 -5.728 1.00 0.00 C ATOM 721 CD2 TYR A 351 -1.278 5.208 -5.304 1.00 0.00 C ATOM 722 CE1 TYR A 351 0.445 3.927 -7.102 1.00 0.00 C ATOM 723 CE2 TYR A 351 -1.396 5.446 -6.678 1.00 0.00 C ATOM 724 CZ TYR A 351 -0.535 4.806 -7.576 1.00 0.00 C ATOM 725 OH TYR A 351 -0.652 5.041 -8.931 1.00 0.00 O ATOM 0 H TYR A 351 -0.053 1.684 -3.572 1.00 0.00 H new ATOM 0 HA TYR A 351 1.931 3.663 -3.716 1.00 0.00 H new ATOM 0 HB2 TYR A 351 -1.015 3.472 -2.992 1.00 0.00 H new ATOM 0 HB3 TYR A 351 -0.225 5.023 -2.794 1.00 0.00 H new ATOM 0 HD1 TYR A 351 1.321 3.009 -5.362 1.00 0.00 H new ATOM 0 HD2 TYR A 351 -1.944 5.702 -4.612 1.00 0.00 H new ATOM 0 HE1 TYR A 351 1.109 3.433 -7.796 1.00 0.00 H new ATOM 0 HE2 TYR A 351 -2.152 6.124 -7.045 1.00 0.00 H new ATOM 0 HH TYR A 351 -1.382 5.675 -9.091 1.00 0.00 H new ATOM 735 N GLU A 352 0.938 3.234 -0.613 1.00 0.00 N ATOM 736 CA GLU A 352 1.369 3.524 0.782 1.00 0.00 C ATOM 737 C GLU A 352 2.857 3.203 0.937 1.00 0.00 C ATOM 738 O GLU A 352 3.603 3.942 1.549 1.00 0.00 O ATOM 739 CB GLU A 352 0.524 2.601 1.660 1.00 0.00 C ATOM 740 CG GLU A 352 0.635 3.045 3.120 1.00 0.00 C ATOM 741 CD GLU A 352 1.891 2.438 3.745 1.00 0.00 C ATOM 742 OE1 GLU A 352 1.931 1.227 3.894 1.00 0.00 O ATOM 743 OE2 GLU A 352 2.794 3.193 4.065 1.00 0.00 O ATOM 0 H GLU A 352 0.100 2.659 -0.700 1.00 0.00 H new ATOM 0 HA GLU A 352 1.234 4.571 1.053 1.00 0.00 H new ATOM 0 HB2 GLU A 352 -0.517 2.628 1.338 1.00 0.00 H new ATOM 0 HB3 GLU A 352 0.863 1.570 1.555 1.00 0.00 H new ATOM 0 HG2 GLU A 352 0.677 4.133 3.178 1.00 0.00 H new ATOM 0 HG3 GLU A 352 -0.249 2.730 3.675 1.00 0.00 H new ATOM 750 N ASN A 353 3.293 2.108 0.377 1.00 0.00 N ATOM 751 CA ASN A 353 4.733 1.736 0.477 1.00 0.00 C ATOM 752 C ASN A 353 5.533 2.460 -0.608 1.00 0.00 C ATOM 753 O ASN A 353 6.748 2.494 -0.581 1.00 0.00 O ATOM 754 CB ASN A 353 4.770 0.222 0.255 1.00 0.00 C ATOM 755 CG ASN A 353 5.327 -0.463 1.503 1.00 0.00 C ATOM 756 OD1 ASN A 353 4.598 -0.744 2.433 1.00 0.00 O ATOM 757 ND2 ASN A 353 6.600 -0.749 1.562 1.00 0.00 N ATOM 0 H ASN A 353 2.712 1.453 -0.147 1.00 0.00 H new ATOM 0 HA ASN A 353 5.169 2.013 1.436 1.00 0.00 H new ATOM 0 HB2 ASN A 353 3.768 -0.149 0.040 1.00 0.00 H new ATOM 0 HB3 ASN A 353 5.390 -0.014 -0.610 1.00 0.00 H new ATOM 0 HD21 ASN A 353 6.982 -1.208 2.389 1.00 0.00 H new ATOM 0 HD22 ASN A 353 7.212 -0.513 0.781 1.00 0.00 H new ATOM 764 N TYR A 354 4.859 3.039 -1.566 1.00 0.00 N ATOM 765 CA TYR A 354 5.576 3.760 -2.656 1.00 0.00 C ATOM 766 C TYR A 354 4.910 5.114 -2.925 1.00 0.00 C ATOM 767 O TYR A 354 4.572 5.427 -4.048 1.00 0.00 O ATOM 768 CB TYR A 354 5.453 2.852 -3.880 1.00 0.00 C ATOM 769 CG TYR A 354 6.250 1.590 -3.655 1.00 0.00 C ATOM 770 CD1 TYR A 354 7.631 1.663 -3.435 1.00 0.00 C ATOM 771 CD2 TYR A 354 5.608 0.345 -3.666 1.00 0.00 C ATOM 772 CE1 TYR A 354 8.370 0.491 -3.227 1.00 0.00 C ATOM 773 CE2 TYR A 354 6.347 -0.826 -3.459 1.00 0.00 C ATOM 774 CZ TYR A 354 7.727 -0.754 -3.239 1.00 0.00 C ATOM 775 OH TYR A 354 8.455 -1.908 -3.035 1.00 0.00 O ATOM 0 H TYR A 354 3.842 3.043 -1.640 1.00 0.00 H new ATOM 0 HA TYR A 354 6.616 3.963 -2.400 1.00 0.00 H new ATOM 0 HB2 TYR A 354 4.406 2.606 -4.060 1.00 0.00 H new ATOM 0 HB3 TYR A 354 5.816 3.370 -4.768 1.00 0.00 H new ATOM 0 HD1 TYR A 354 8.126 2.623 -3.426 1.00 0.00 H new ATOM 0 HD2 TYR A 354 4.543 0.288 -3.834 1.00 0.00 H new ATOM 0 HE1 TYR A 354 9.435 0.547 -3.057 1.00 0.00 H new ATOM 0 HE2 TYR A 354 5.852 -1.786 -3.469 1.00 0.00 H new ATOM 0 HH TYR A 354 8.886 -1.872 -2.155 1.00 0.00 H new ATOM 785 N PRO A 355 4.745 5.872 -1.875 1.00 0.00 N ATOM 786 CA PRO A 355 4.112 7.207 -1.991 1.00 0.00 C ATOM 787 C PRO A 355 5.095 8.215 -2.593 1.00 0.00 C ATOM 788 O PRO A 355 4.804 8.871 -3.574 1.00 0.00 O ATOM 789 CB PRO A 355 3.779 7.571 -0.547 1.00 0.00 C ATOM 790 CG PRO A 355 4.746 6.788 0.287 1.00 0.00 C ATOM 791 CD PRO A 355 5.128 5.557 -0.496 1.00 0.00 C ATOM 0 HA PRO A 355 3.237 7.211 -2.641 1.00 0.00 H new ATOM 0 HB2 PRO A 355 3.888 8.642 -0.375 1.00 0.00 H new ATOM 0 HB3 PRO A 355 2.749 7.312 -0.303 1.00 0.00 H new ATOM 0 HG2 PRO A 355 5.628 7.387 0.514 1.00 0.00 H new ATOM 0 HG3 PRO A 355 4.294 6.511 1.240 1.00 0.00 H new ATOM 0 HD2 PRO A 355 6.195 5.350 -0.417 1.00 0.00 H new ATOM 0 HD3 PRO A 355 4.604 4.674 -0.129 1.00 0.00 H new ATOM 799 N THR A 356 6.257 8.346 -2.012 1.00 0.00 N ATOM 800 CA THR A 356 7.258 9.315 -2.549 1.00 0.00 C ATOM 801 C THR A 356 7.666 8.929 -3.973 1.00 0.00 C ATOM 802 O THR A 356 8.317 9.684 -4.667 1.00 0.00 O ATOM 803 CB THR A 356 8.456 9.209 -1.604 1.00 0.00 C ATOM 804 OG1 THR A 356 9.386 10.239 -1.906 1.00 0.00 O ATOM 805 CG2 THR A 356 9.125 7.845 -1.777 1.00 0.00 C ATOM 0 H THR A 356 6.557 7.824 -1.189 1.00 0.00 H new ATOM 0 HA THR A 356 6.862 10.329 -2.598 1.00 0.00 H new ATOM 0 HB THR A 356 8.118 9.316 -0.573 1.00 0.00 H new ATOM 0 HG1 THR A 356 10.154 10.174 -1.301 1.00 0.00 H new ATOM 0 HG21 THR A 356 9.979 7.770 -1.103 1.00 0.00 H new ATOM 0 HG22 THR A 356 8.409 7.057 -1.545 1.00 0.00 H new ATOM 0 HG23 THR A 356 9.465 7.734 -2.807 1.00 0.00 H new ATOM 813 N TYR A 357 7.295 7.758 -4.415 1.00 0.00 N ATOM 814 CA TYR A 357 7.669 7.330 -5.793 1.00 0.00 C ATOM 815 C TYR A 357 6.509 7.577 -6.762 1.00 0.00 C ATOM 816 O TYR A 357 5.354 7.472 -6.402 1.00 0.00 O ATOM 817 CB TYR A 357 7.957 5.832 -5.679 1.00 0.00 C ATOM 818 CG TYR A 357 9.199 5.616 -4.847 1.00 0.00 C ATOM 819 CD1 TYR A 357 10.438 6.083 -5.301 1.00 0.00 C ATOM 820 CD2 TYR A 357 9.111 4.946 -3.621 1.00 0.00 C ATOM 821 CE1 TYR A 357 11.589 5.879 -4.530 1.00 0.00 C ATOM 822 CE2 TYR A 357 10.261 4.742 -2.849 1.00 0.00 C ATOM 823 CZ TYR A 357 11.501 5.209 -3.304 1.00 0.00 C ATOM 824 OH TYR A 357 12.634 5.008 -2.542 1.00 0.00 O ATOM 0 H TYR A 357 6.750 7.080 -3.882 1.00 0.00 H new ATOM 0 HA TYR A 357 8.526 7.885 -6.176 1.00 0.00 H new ATOM 0 HB2 TYR A 357 7.108 5.322 -5.223 1.00 0.00 H new ATOM 0 HB3 TYR A 357 8.092 5.401 -6.671 1.00 0.00 H new ATOM 0 HD1 TYR A 357 10.506 6.601 -6.246 1.00 0.00 H new ATOM 0 HD2 TYR A 357 8.155 4.586 -3.270 1.00 0.00 H new ATOM 0 HE1 TYR A 357 12.545 6.239 -4.881 1.00 0.00 H new ATOM 0 HE2 TYR A 357 10.192 4.225 -1.903 1.00 0.00 H new ATOM 0 HH TYR A 357 12.395 4.528 -1.721 1.00 0.00 H new ATOM 834 N ASP A 358 6.811 7.900 -7.991 1.00 0.00 N ATOM 835 CA ASP A 358 5.727 8.146 -8.986 1.00 0.00 C ATOM 836 C ASP A 358 5.457 6.866 -9.780 1.00 0.00 C ATOM 837 O ASP A 358 5.379 6.876 -10.993 1.00 0.00 O ATOM 838 CB ASP A 358 6.268 9.244 -9.902 1.00 0.00 C ATOM 839 CG ASP A 358 5.102 10.066 -10.455 1.00 0.00 C ATOM 840 OD1 ASP A 358 4.349 10.600 -9.659 1.00 0.00 O ATOM 841 OD2 ASP A 358 4.982 10.146 -11.667 1.00 0.00 O ATOM 0 H ASP A 358 7.760 8.004 -8.349 1.00 0.00 H new ATOM 0 HA ASP A 358 4.788 8.440 -8.517 1.00 0.00 H new ATOM 0 HB2 ASP A 358 6.952 9.889 -9.350 1.00 0.00 H new ATOM 0 HB3 ASP A 358 6.836 8.802 -10.721 1.00 0.00 H new ATOM 846 N LEU A 359 5.322 5.763 -9.099 1.00 0.00 N ATOM 847 CA LEU A 359 5.066 4.472 -9.798 1.00 0.00 C ATOM 848 C LEU A 359 4.066 4.660 -10.944 1.00 0.00 C ATOM 849 O LEU A 359 2.895 4.897 -10.727 1.00 0.00 O ATOM 850 CB LEU A 359 4.477 3.558 -8.726 1.00 0.00 C ATOM 851 CG LEU A 359 5.505 2.496 -8.330 1.00 0.00 C ATOM 852 CD1 LEU A 359 5.891 1.677 -9.561 1.00 0.00 C ATOM 853 CD2 LEU A 359 6.750 3.180 -7.762 1.00 0.00 C ATOM 0 H LEU A 359 5.378 5.699 -8.083 1.00 0.00 H new ATOM 0 HA LEU A 359 5.974 4.063 -10.242 1.00 0.00 H new ATOM 0 HB2 LEU A 359 4.191 4.144 -7.853 1.00 0.00 H new ATOM 0 HB3 LEU A 359 3.572 3.080 -9.100 1.00 0.00 H new ATOM 0 HG LEU A 359 5.075 1.837 -7.575 1.00 0.00 H new ATOM 0 HD11 LEU A 359 6.623 0.920 -9.280 1.00 0.00 H new ATOM 0 HD12 LEU A 359 5.004 1.190 -9.967 1.00 0.00 H new ATOM 0 HD13 LEU A 359 6.321 2.335 -10.316 1.00 0.00 H new ATOM 0 HD21 LEU A 359 7.483 2.425 -7.479 1.00 0.00 H new ATOM 0 HD22 LEU A 359 7.180 3.838 -8.517 1.00 0.00 H new ATOM 0 HD23 LEU A 359 6.475 3.765 -6.884 1.00 0.00 H new ATOM 865 N THR A 360 4.519 4.536 -12.160 1.00 0.00 N ATOM 866 CA THR A 360 3.598 4.685 -13.324 1.00 0.00 C ATOM 867 C THR A 360 3.585 3.379 -14.120 1.00 0.00 C ATOM 868 O THR A 360 2.587 2.685 -14.184 1.00 0.00 O ATOM 869 CB THR A 360 4.183 5.823 -14.165 1.00 0.00 C ATOM 870 OG1 THR A 360 5.438 6.219 -13.627 1.00 0.00 O ATOM 871 CG2 THR A 360 3.223 7.013 -14.152 1.00 0.00 C ATOM 0 H THR A 360 5.490 4.337 -12.400 1.00 0.00 H new ATOM 0 HA THR A 360 2.573 4.903 -13.025 1.00 0.00 H new ATOM 0 HB THR A 360 4.322 5.480 -15.190 1.00 0.00 H new ATOM 0 HG1 THR A 360 5.309 6.575 -12.723 1.00 0.00 H new ATOM 0 HG21 THR A 360 3.640 7.823 -14.751 1.00 0.00 H new ATOM 0 HG22 THR A 360 2.263 6.710 -14.569 1.00 0.00 H new ATOM 0 HG23 THR A 360 3.082 7.355 -13.127 1.00 0.00 H new ATOM 879 N GLU A 361 4.696 3.027 -14.703 1.00 0.00 N ATOM 880 CA GLU A 361 4.761 1.752 -15.470 1.00 0.00 C ATOM 881 C GLU A 361 4.746 0.587 -14.484 1.00 0.00 C ATOM 882 O GLU A 361 3.935 -0.316 -14.578 1.00 0.00 O ATOM 883 CB GLU A 361 6.090 1.803 -16.226 1.00 0.00 C ATOM 884 CG GLU A 361 5.833 2.150 -17.693 1.00 0.00 C ATOM 885 CD GLU A 361 7.101 2.748 -18.306 1.00 0.00 C ATOM 886 OE1 GLU A 361 8.071 2.896 -17.582 1.00 0.00 O ATOM 887 OE2 GLU A 361 7.080 3.045 -19.489 1.00 0.00 O ATOM 0 H GLU A 361 5.561 3.566 -14.682 1.00 0.00 H new ATOM 0 HA GLU A 361 3.923 1.622 -16.155 1.00 0.00 H new ATOM 0 HB2 GLU A 361 6.748 2.547 -15.776 1.00 0.00 H new ATOM 0 HB3 GLU A 361 6.599 0.842 -16.153 1.00 0.00 H new ATOM 0 HG2 GLU A 361 5.537 1.256 -18.243 1.00 0.00 H new ATOM 0 HG3 GLU A 361 5.009 2.859 -17.771 1.00 0.00 H new ATOM 894 N ARG A 362 5.624 0.615 -13.520 1.00 0.00 N ATOM 895 CA ARG A 362 5.652 -0.471 -12.508 1.00 0.00 C ATOM 896 C ARG A 362 4.333 -0.460 -11.732 1.00 0.00 C ATOM 897 O ARG A 362 3.930 -1.450 -11.155 1.00 0.00 O ATOM 898 CB ARG A 362 6.828 -0.130 -11.591 1.00 0.00 C ATOM 899 CG ARG A 362 8.115 -0.721 -12.170 1.00 0.00 C ATOM 900 CD ARG A 362 8.072 -2.247 -12.061 1.00 0.00 C ATOM 901 NE ARG A 362 7.706 -2.719 -13.425 1.00 0.00 N ATOM 902 CZ ARG A 362 7.947 -3.953 -13.776 1.00 0.00 C ATOM 903 NH1 ARG A 362 8.107 -4.870 -12.863 1.00 0.00 N ATOM 904 NH2 ARG A 362 8.029 -4.267 -15.040 1.00 0.00 N ATOM 0 H ARG A 362 6.324 1.346 -13.391 1.00 0.00 H new ATOM 0 HA ARG A 362 5.767 -1.462 -12.946 1.00 0.00 H new ATOM 0 HB2 ARG A 362 6.924 0.951 -11.492 1.00 0.00 H new ATOM 0 HB3 ARG A 362 6.651 -0.527 -10.591 1.00 0.00 H new ATOM 0 HG2 ARG A 362 8.227 -0.424 -13.213 1.00 0.00 H new ATOM 0 HG3 ARG A 362 8.980 -0.332 -11.633 1.00 0.00 H new ATOM 0 HD2 ARG A 362 9.037 -2.648 -11.750 1.00 0.00 H new ATOM 0 HD3 ARG A 362 7.339 -2.570 -11.321 1.00 0.00 H new ATOM 0 HE ARG A 362 7.267 -2.078 -14.085 1.00 0.00 H new ATOM 0 HH11 ARG A 362 8.044 -4.623 -11.875 1.00 0.00 H new ATOM 0 HH12 ARG A 362 8.295 -5.834 -13.136 1.00 0.00 H new ATOM 0 HH21 ARG A 362 7.905 -3.548 -15.753 1.00 0.00 H new ATOM 0 HH22 ARG A 362 8.217 -5.231 -15.315 1.00 0.00 H new ATOM 918 N LYS A 363 3.648 0.654 -11.734 1.00 0.00 N ATOM 919 CA LYS A 363 2.345 0.725 -11.018 1.00 0.00 C ATOM 920 C LYS A 363 1.363 -0.239 -11.680 1.00 0.00 C ATOM 921 O LYS A 363 0.830 -1.130 -11.049 1.00 0.00 O ATOM 922 CB LYS A 363 1.872 2.171 -11.178 1.00 0.00 C ATOM 923 CG LYS A 363 0.439 2.302 -10.657 1.00 0.00 C ATOM 924 CD LYS A 363 -0.246 3.486 -11.343 1.00 0.00 C ATOM 925 CE LYS A 363 -0.804 3.042 -12.697 1.00 0.00 C ATOM 926 NZ LYS A 363 -0.352 4.084 -13.659 1.00 0.00 N ATOM 0 H LYS A 363 3.936 1.514 -12.200 1.00 0.00 H new ATOM 0 HA LYS A 363 2.424 0.450 -9.966 1.00 0.00 H new ATOM 0 HB2 LYS A 363 2.532 2.843 -10.630 1.00 0.00 H new ATOM 0 HB3 LYS A 363 1.917 2.465 -12.227 1.00 0.00 H new ATOM 0 HG2 LYS A 363 -0.116 1.384 -10.852 1.00 0.00 H new ATOM 0 HG3 LYS A 363 0.445 2.447 -9.577 1.00 0.00 H new ATOM 0 HD2 LYS A 363 -1.050 3.868 -10.714 1.00 0.00 H new ATOM 0 HD3 LYS A 363 0.465 4.301 -11.481 1.00 0.00 H new ATOM 0 HE2 LYS A 363 -0.428 2.058 -12.976 1.00 0.00 H new ATOM 0 HE3 LYS A 363 -1.891 2.972 -12.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 363 -0.960 4.065 -14.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 363 -0.412 5.020 -13.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 363 0.632 3.896 -13.937 1.00 0.00 H new ATOM 940 N ASP A 364 1.137 -0.082 -12.957 1.00 0.00 N ATOM 941 CA ASP A 364 0.209 -1.010 -13.658 1.00 0.00 C ATOM 942 C ASP A 364 0.668 -2.448 -13.410 1.00 0.00 C ATOM 943 O ASP A 364 -0.122 -3.370 -13.378 1.00 0.00 O ATOM 944 CB ASP A 364 0.322 -0.651 -15.139 1.00 0.00 C ATOM 945 CG ASP A 364 -0.844 -1.278 -15.907 1.00 0.00 C ATOM 946 OD1 ASP A 364 -0.865 -2.493 -16.025 1.00 0.00 O ATOM 947 OD2 ASP A 364 -1.696 -0.534 -16.365 1.00 0.00 O ATOM 0 H ASP A 364 1.553 0.644 -13.540 1.00 0.00 H new ATOM 0 HA ASP A 364 -0.821 -0.926 -13.311 1.00 0.00 H new ATOM 0 HB2 ASP A 364 0.313 0.432 -15.263 1.00 0.00 H new ATOM 0 HB3 ASP A 364 1.270 -1.010 -15.540 1.00 0.00 H new ATOM 952 N PHE A 365 1.948 -2.635 -13.218 1.00 0.00 N ATOM 953 CA PHE A 365 2.472 -4.004 -12.951 1.00 0.00 C ATOM 954 C PHE A 365 1.993 -4.468 -11.571 1.00 0.00 C ATOM 955 O PHE A 365 1.660 -5.619 -11.371 1.00 0.00 O ATOM 956 CB PHE A 365 4.002 -3.850 -12.994 1.00 0.00 C ATOM 957 CG PHE A 365 4.662 -4.872 -12.092 1.00 0.00 C ATOM 958 CD1 PHE A 365 4.720 -6.215 -12.482 1.00 0.00 C ATOM 959 CD2 PHE A 365 5.215 -4.473 -10.866 1.00 0.00 C ATOM 960 CE1 PHE A 365 5.331 -7.161 -11.648 1.00 0.00 C ATOM 961 CE2 PHE A 365 5.824 -5.421 -10.033 1.00 0.00 C ATOM 962 CZ PHE A 365 5.882 -6.763 -10.425 1.00 0.00 C ATOM 0 H PHE A 365 2.652 -1.897 -13.235 1.00 0.00 H new ATOM 0 HA PHE A 365 2.129 -4.747 -13.671 1.00 0.00 H new ATOM 0 HB2 PHE A 365 4.358 -3.975 -14.017 1.00 0.00 H new ATOM 0 HB3 PHE A 365 4.281 -2.844 -12.680 1.00 0.00 H new ATOM 0 HD1 PHE A 365 4.294 -6.522 -13.426 1.00 0.00 H new ATOM 0 HD2 PHE A 365 5.171 -3.437 -10.565 1.00 0.00 H new ATOM 0 HE1 PHE A 365 5.377 -8.197 -11.949 1.00 0.00 H new ATOM 0 HE2 PHE A 365 6.249 -5.116 -9.088 1.00 0.00 H new ATOM 0 HZ PHE A 365 6.353 -7.493 -9.783 1.00 0.00 H new ATOM 972 N ILE A 366 1.955 -3.574 -10.622 1.00 0.00 N ATOM 973 CA ILE A 366 1.495 -3.953 -9.256 1.00 0.00 C ATOM 974 C ILE A 366 0.044 -4.436 -9.307 1.00 0.00 C ATOM 975 O ILE A 366 -0.249 -5.582 -9.031 1.00 0.00 O ATOM 976 CB ILE A 366 1.605 -2.669 -8.434 1.00 0.00 C ATOM 977 CG1 ILE A 366 3.077 -2.267 -8.314 1.00 0.00 C ATOM 978 CG2 ILE A 366 1.027 -2.904 -7.038 1.00 0.00 C ATOM 979 CD1 ILE A 366 3.178 -0.756 -8.100 1.00 0.00 C ATOM 0 H ILE A 366 2.223 -2.596 -10.733 1.00 0.00 H new ATOM 0 HA ILE A 366 2.085 -4.763 -8.827 1.00 0.00 H new ATOM 0 HB ILE A 366 1.048 -1.873 -8.928 1.00 0.00 H new ATOM 0 HG12 ILE A 366 3.542 -2.795 -7.481 1.00 0.00 H new ATOM 0 HG13 ILE A 366 3.618 -2.554 -9.216 1.00 0.00 H new ATOM 0 HG21 ILE A 366 1.106 -1.988 -6.453 1.00 0.00 H new ATOM 0 HG22 ILE A 366 -0.021 -3.192 -7.122 1.00 0.00 H new ATOM 0 HG23 ILE A 366 1.583 -3.700 -6.543 1.00 0.00 H new ATOM 0 HD11 ILE A 366 4.226 -0.470 -8.015 1.00 0.00 H new ATOM 0 HD12 ILE A 366 2.728 -0.238 -8.947 1.00 0.00 H new ATOM 0 HD13 ILE A 366 2.651 -0.482 -7.186 1.00 0.00 H new ATOM 991 N LYS A 367 -0.867 -3.571 -9.658 1.00 0.00 N ATOM 992 CA LYS A 367 -2.299 -3.983 -9.727 1.00 0.00 C ATOM 993 C LYS A 367 -2.425 -5.344 -10.414 1.00 0.00 C ATOM 994 O LYS A 367 -3.155 -6.209 -9.972 1.00 0.00 O ATOM 995 CB LYS A 367 -2.985 -2.897 -10.557 1.00 0.00 C ATOM 996 CG LYS A 367 -3.678 -1.904 -9.623 1.00 0.00 C ATOM 997 CD LYS A 367 -2.746 -0.722 -9.349 1.00 0.00 C ATOM 998 CE LYS A 367 -3.063 0.414 -10.325 1.00 0.00 C ATOM 999 NZ LYS A 367 -2.795 1.664 -9.561 1.00 0.00 N ATOM 0 H LYS A 367 -0.683 -2.597 -9.900 1.00 0.00 H new ATOM 0 HA LYS A 367 -2.747 -4.084 -8.739 1.00 0.00 H new ATOM 0 HB2 LYS A 367 -2.252 -2.380 -11.176 1.00 0.00 H new ATOM 0 HB3 LYS A 367 -3.713 -3.346 -11.233 1.00 0.00 H new ATOM 0 HG2 LYS A 367 -4.606 -1.552 -10.074 1.00 0.00 H new ATOM 0 HG3 LYS A 367 -3.945 -2.395 -8.687 1.00 0.00 H new ATOM 0 HD2 LYS A 367 -2.869 -0.378 -8.322 1.00 0.00 H new ATOM 0 HD3 LYS A 367 -1.707 -1.031 -9.459 1.00 0.00 H new ATOM 0 HE2 LYS A 367 -2.438 0.355 -11.216 1.00 0.00 H new ATOM 0 HE3 LYS A 367 -4.100 0.370 -10.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 367 -2.990 2.488 -10.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 367 -3.409 1.696 -8.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 367 -1.799 1.681 -9.262 1.00 0.00 H new ATOM 1013 N THR A 368 -1.720 -5.542 -11.494 1.00 0.00 N ATOM 1014 CA THR A 368 -1.802 -6.849 -12.207 1.00 0.00 C ATOM 1015 C THR A 368 -1.094 -7.939 -11.398 1.00 0.00 C ATOM 1016 O THR A 368 -1.395 -9.110 -11.525 1.00 0.00 O ATOM 1017 CB THR A 368 -1.090 -6.624 -13.543 1.00 0.00 C ATOM 1018 OG1 THR A 368 -1.735 -5.574 -14.251 1.00 0.00 O ATOM 1019 CG2 THR A 368 -1.143 -7.908 -14.372 1.00 0.00 C ATOM 0 H THR A 368 -1.092 -4.857 -11.913 1.00 0.00 H new ATOM 0 HA THR A 368 -2.832 -7.176 -12.347 1.00 0.00 H new ATOM 0 HB THR A 368 -0.050 -6.354 -13.360 1.00 0.00 H new ATOM 0 HG1 THR A 368 -1.280 -4.726 -14.065 1.00 0.00 H new ATOM 0 HG21 THR A 368 -0.636 -7.748 -15.324 1.00 0.00 H new ATOM 0 HG22 THR A 368 -0.648 -8.713 -13.828 1.00 0.00 H new ATOM 0 HG23 THR A 368 -2.182 -8.180 -14.556 1.00 0.00 H new ATOM 1027 N THR A 369 -0.155 -7.571 -10.569 1.00 0.00 N ATOM 1028 CA THR A 369 0.563 -8.599 -9.764 1.00 0.00 C ATOM 1029 C THR A 369 -0.427 -9.313 -8.836 1.00 0.00 C ATOM 1030 O THR A 369 -0.330 -10.502 -8.603 1.00 0.00 O ATOM 1031 CB THR A 369 1.635 -7.820 -8.979 1.00 0.00 C ATOM 1032 OG1 THR A 369 2.797 -8.626 -8.851 1.00 0.00 O ATOM 1033 CG2 THR A 369 1.125 -7.442 -7.584 1.00 0.00 C ATOM 0 H THR A 369 0.145 -6.608 -10.415 1.00 0.00 H new ATOM 0 HA THR A 369 1.022 -9.376 -10.375 1.00 0.00 H new ATOM 0 HB THR A 369 1.868 -6.904 -9.522 1.00 0.00 H new ATOM 0 HG1 THR A 369 3.483 -8.134 -8.353 1.00 0.00 H new ATOM 0 HG21 THR A 369 1.900 -6.893 -7.050 1.00 0.00 H new ATOM 0 HG22 THR A 369 0.237 -6.817 -7.678 1.00 0.00 H new ATOM 0 HG23 THR A 369 0.875 -8.347 -7.031 1.00 0.00 H new ATOM 1041 N VAL A 370 -1.387 -8.597 -8.318 1.00 0.00 N ATOM 1042 CA VAL A 370 -2.391 -9.234 -7.421 1.00 0.00 C ATOM 1043 C VAL A 370 -3.492 -9.875 -8.266 1.00 0.00 C ATOM 1044 O VAL A 370 -3.943 -10.969 -7.991 1.00 0.00 O ATOM 1045 CB VAL A 370 -2.950 -8.092 -6.573 1.00 0.00 C ATOM 1046 CG1 VAL A 370 -4.148 -8.596 -5.766 1.00 0.00 C ATOM 1047 CG2 VAL A 370 -1.862 -7.593 -5.618 1.00 0.00 C ATOM 0 H VAL A 370 -1.519 -7.598 -8.477 1.00 0.00 H new ATOM 0 HA VAL A 370 -1.963 -10.019 -6.798 1.00 0.00 H new ATOM 0 HB VAL A 370 -3.269 -7.276 -7.221 1.00 0.00 H new ATOM 0 HG11 VAL A 370 -4.547 -7.782 -5.161 1.00 0.00 H new ATOM 0 HG12 VAL A 370 -4.920 -8.955 -6.447 1.00 0.00 H new ATOM 0 HG13 VAL A 370 -3.831 -9.411 -5.115 1.00 0.00 H new ATOM 0 HG21 VAL A 370 -2.256 -6.778 -5.011 1.00 0.00 H new ATOM 0 HG22 VAL A 370 -1.546 -8.409 -4.968 1.00 0.00 H new ATOM 0 HG23 VAL A 370 -1.008 -7.236 -6.194 1.00 0.00 H new ATOM 1057 N LYS A 371 -3.919 -9.203 -9.302 1.00 0.00 N ATOM 1058 CA LYS A 371 -4.981 -9.776 -10.176 1.00 0.00 C ATOM 1059 C LYS A 371 -4.502 -11.106 -10.763 1.00 0.00 C ATOM 1060 O LYS A 371 -5.277 -12.013 -10.998 1.00 0.00 O ATOM 1061 CB LYS A 371 -5.182 -8.744 -11.285 1.00 0.00 C ATOM 1062 CG LYS A 371 -6.229 -7.719 -10.848 1.00 0.00 C ATOM 1063 CD LYS A 371 -7.416 -7.758 -11.812 1.00 0.00 C ATOM 1064 CE LYS A 371 -6.912 -7.633 -13.251 1.00 0.00 C ATOM 1065 NZ LYS A 371 -8.099 -7.200 -14.039 1.00 0.00 N ATOM 0 H LYS A 371 -3.578 -8.283 -9.580 1.00 0.00 H new ATOM 0 HA LYS A 371 -5.906 -9.974 -9.635 1.00 0.00 H new ATOM 0 HB2 LYS A 371 -4.239 -8.244 -11.506 1.00 0.00 H new ATOM 0 HB3 LYS A 371 -5.503 -9.238 -12.202 1.00 0.00 H new ATOM 0 HG2 LYS A 371 -6.564 -7.935 -9.834 1.00 0.00 H new ATOM 0 HG3 LYS A 371 -5.792 -6.721 -10.833 1.00 0.00 H new ATOM 0 HD2 LYS A 371 -7.967 -8.690 -11.689 1.00 0.00 H new ATOM 0 HD3 LYS A 371 -8.108 -6.946 -11.586 1.00 0.00 H new ATOM 0 HE2 LYS A 371 -6.103 -6.906 -13.324 1.00 0.00 H new ATOM 0 HE3 LYS A 371 -6.521 -8.583 -13.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 371 -7.832 -7.093 -15.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 371 -8.850 -7.915 -13.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 371 -8.445 -6.290 -13.673 1.00 0.00 H new ATOM 1079 N GLU A 372 -3.222 -11.228 -10.990 1.00 0.00 N ATOM 1080 CA GLU A 372 -2.681 -12.497 -11.551 1.00 0.00 C ATOM 1081 C GLU A 372 -2.492 -13.510 -10.424 1.00 0.00 C ATOM 1082 O GLU A 372 -2.558 -14.707 -10.629 1.00 0.00 O ATOM 1083 CB GLU A 372 -1.334 -12.121 -12.173 1.00 0.00 C ATOM 1084 CG GLU A 372 -1.138 -12.902 -13.473 1.00 0.00 C ATOM 1085 CD GLU A 372 0.261 -13.522 -13.491 1.00 0.00 C ATOM 1086 OE1 GLU A 372 0.445 -14.537 -12.841 1.00 0.00 O ATOM 1087 OE2 GLU A 372 1.123 -12.971 -14.156 1.00 0.00 O ATOM 0 H GLU A 372 -2.528 -10.502 -10.811 1.00 0.00 H new ATOM 0 HA GLU A 372 -3.346 -12.948 -12.287 1.00 0.00 H new ATOM 0 HB2 GLU A 372 -1.299 -11.050 -12.371 1.00 0.00 H new ATOM 0 HB3 GLU A 372 -0.525 -12.343 -11.477 1.00 0.00 H new ATOM 0 HG2 GLU A 372 -1.894 -13.682 -13.558 1.00 0.00 H new ATOM 0 HG3 GLU A 372 -1.265 -12.240 -14.330 1.00 0.00 H new ATOM 1094 N LEU A 373 -2.273 -13.035 -9.229 1.00 0.00 N ATOM 1095 CA LEU A 373 -2.098 -13.959 -8.079 1.00 0.00 C ATOM 1096 C LEU A 373 -3.475 -14.457 -7.639 1.00 0.00 C ATOM 1097 O LEU A 373 -3.614 -15.516 -7.061 1.00 0.00 O ATOM 1098 CB LEU A 373 -1.424 -13.103 -6.995 1.00 0.00 C ATOM 1099 CG LEU A 373 -1.924 -13.504 -5.604 1.00 0.00 C ATOM 1100 CD1 LEU A 373 -0.880 -13.114 -4.557 1.00 0.00 C ATOM 1101 CD2 LEU A 373 -3.237 -12.776 -5.314 1.00 0.00 C ATOM 0 H LEU A 373 -2.208 -12.043 -9.001 1.00 0.00 H new ATOM 0 HA LEU A 373 -1.499 -14.841 -8.305 1.00 0.00 H new ATOM 0 HB2 LEU A 373 -0.342 -13.225 -7.048 1.00 0.00 H new ATOM 0 HB3 LEU A 373 -1.635 -12.049 -7.173 1.00 0.00 H new ATOM 0 HG LEU A 373 -2.087 -14.581 -5.567 1.00 0.00 H new ATOM 0 HD11 LEU A 373 -1.234 -13.399 -3.566 1.00 0.00 H new ATOM 0 HD12 LEU A 373 0.057 -13.628 -4.769 1.00 0.00 H new ATOM 0 HD13 LEU A 373 -0.718 -12.037 -4.589 1.00 0.00 H new ATOM 0 HD21 LEU A 373 -3.598 -13.057 -4.325 1.00 0.00 H new ATOM 0 HD22 LEU A 373 -3.071 -11.699 -5.347 1.00 0.00 H new ATOM 0 HD23 LEU A 373 -3.979 -13.052 -6.063 1.00 0.00 H new ATOM 1113 N ILE A 374 -4.495 -13.693 -7.918 1.00 0.00 N ATOM 1114 CA ILE A 374 -5.868 -14.109 -7.530 1.00 0.00 C ATOM 1115 C ILE A 374 -6.423 -15.088 -8.568 1.00 0.00 C ATOM 1116 O ILE A 374 -7.268 -15.909 -8.274 1.00 0.00 O ATOM 1117 CB ILE A 374 -6.687 -12.817 -7.512 1.00 0.00 C ATOM 1118 CG1 ILE A 374 -6.390 -12.041 -6.227 1.00 0.00 C ATOM 1119 CG2 ILE A 374 -8.179 -13.154 -7.568 1.00 0.00 C ATOM 1120 CD1 ILE A 374 -7.279 -10.798 -6.165 1.00 0.00 C ATOM 0 H ILE A 374 -4.434 -12.796 -8.400 1.00 0.00 H new ATOM 0 HA ILE A 374 -5.895 -14.614 -6.564 1.00 0.00 H new ATOM 0 HB ILE A 374 -6.419 -12.208 -8.376 1.00 0.00 H new ATOM 0 HG12 ILE A 374 -6.570 -12.674 -5.358 1.00 0.00 H new ATOM 0 HG13 ILE A 374 -5.339 -11.752 -6.199 1.00 0.00 H new ATOM 0 HG21 ILE A 374 -8.761 -12.232 -7.555 1.00 0.00 H new ATOM 0 HG22 ILE A 374 -8.393 -13.706 -8.483 1.00 0.00 H new ATOM 0 HG23 ILE A 374 -8.447 -13.764 -6.705 1.00 0.00 H new ATOM 0 HD11 ILE A 374 -7.068 -10.245 -5.250 1.00 0.00 H new ATOM 0 HD12 ILE A 374 -7.077 -10.163 -7.028 1.00 0.00 H new ATOM 0 HD13 ILE A 374 -8.327 -11.099 -6.173 1.00 0.00 H new ATOM 1132 N SER A 375 -5.955 -15.001 -9.783 1.00 0.00 N ATOM 1133 CA SER A 375 -6.455 -15.919 -10.845 1.00 0.00 C ATOM 1134 C SER A 375 -5.480 -17.081 -11.053 1.00 0.00 C ATOM 1135 O SER A 375 -5.872 -18.174 -11.414 1.00 0.00 O ATOM 1136 CB SER A 375 -6.538 -15.058 -12.104 1.00 0.00 C ATOM 1137 OG SER A 375 -7.350 -15.715 -13.068 1.00 0.00 O ATOM 0 H SER A 375 -5.247 -14.333 -10.086 1.00 0.00 H new ATOM 0 HA SER A 375 -7.417 -16.360 -10.586 1.00 0.00 H new ATOM 0 HB2 SER A 375 -6.957 -14.081 -11.864 1.00 0.00 H new ATOM 0 HB3 SER A 375 -5.540 -14.886 -12.508 1.00 0.00 H new ATOM 0 HG SER A 375 -7.407 -15.165 -13.877 1.00 0.00 H new ATOM 1143 N LEU A 376 -4.211 -16.856 -10.839 1.00 0.00 N ATOM 1144 CA LEU A 376 -3.218 -17.953 -11.036 1.00 0.00 C ATOM 1145 C LEU A 376 -2.501 -18.279 -9.722 1.00 0.00 C ATOM 1146 O LEU A 376 -1.402 -18.797 -9.719 1.00 0.00 O ATOM 1147 CB LEU A 376 -2.226 -17.407 -12.064 1.00 0.00 C ATOM 1148 CG LEU A 376 -2.123 -18.375 -13.243 1.00 0.00 C ATOM 1149 CD1 LEU A 376 -1.224 -17.769 -14.323 1.00 0.00 C ATOM 1150 CD2 LEU A 376 -1.524 -19.699 -12.763 1.00 0.00 C ATOM 0 H LEU A 376 -3.820 -15.964 -10.537 1.00 0.00 H new ATOM 0 HA LEU A 376 -3.692 -18.876 -11.369 1.00 0.00 H new ATOM 0 HB2 LEU A 376 -2.551 -16.427 -12.413 1.00 0.00 H new ATOM 0 HB3 LEU A 376 -1.247 -17.273 -11.604 1.00 0.00 H new ATOM 0 HG LEU A 376 -3.116 -18.554 -13.656 1.00 0.00 H new ATOM 0 HD11 LEU A 376 -1.150 -18.459 -15.164 1.00 0.00 H new ATOM 0 HD12 LEU A 376 -1.650 -16.825 -14.664 1.00 0.00 H new ATOM 0 HD13 LEU A 376 -0.231 -17.591 -13.912 1.00 0.00 H new ATOM 0 HD21 LEU A 376 -1.450 -20.390 -13.602 1.00 0.00 H new ATOM 0 HD22 LEU A 376 -0.531 -19.521 -12.351 1.00 0.00 H new ATOM 0 HD23 LEU A 376 -2.164 -20.130 -11.993 1.00 0.00 H new ATOM 1162 N GLU A 377 -3.109 -17.983 -8.607 1.00 0.00 N ATOM 1163 CA GLU A 377 -2.451 -18.283 -7.302 1.00 0.00 C ATOM 1164 C GLU A 377 -3.425 -18.046 -6.146 1.00 0.00 C ATOM 1165 O GLU A 377 -3.059 -17.524 -5.112 1.00 0.00 O ATOM 1166 CB GLU A 377 -1.276 -17.310 -7.217 1.00 0.00 C ATOM 1167 CG GLU A 377 0.039 -18.090 -7.278 1.00 0.00 C ATOM 1168 CD GLU A 377 1.137 -17.293 -6.572 1.00 0.00 C ATOM 1169 OE1 GLU A 377 0.889 -16.824 -5.473 1.00 0.00 O ATOM 1170 OE2 GLU A 377 2.207 -17.164 -7.143 1.00 0.00 O ATOM 0 H GLU A 377 -4.029 -17.548 -8.541 1.00 0.00 H new ATOM 0 HA GLU A 377 -2.128 -19.322 -7.236 1.00 0.00 H new ATOM 0 HB2 GLU A 377 -1.324 -16.593 -8.037 1.00 0.00 H new ATOM 0 HB3 GLU A 377 -1.330 -16.739 -6.290 1.00 0.00 H new ATOM 0 HG2 GLU A 377 -0.081 -19.064 -6.803 1.00 0.00 H new ATOM 0 HG3 GLU A 377 0.318 -18.273 -8.316 1.00 0.00 H new ATOM 1177 N HIS A 378 -4.661 -18.425 -6.312 1.00 0.00 N ATOM 1178 CA HIS A 378 -5.656 -18.221 -5.219 1.00 0.00 C ATOM 1179 C HIS A 378 -5.152 -18.858 -3.921 1.00 0.00 C ATOM 1180 O HIS A 378 -4.357 -19.781 -4.007 1.00 0.00 O ATOM 1181 CB HIS A 378 -6.924 -18.922 -5.703 1.00 0.00 C ATOM 1182 CG HIS A 378 -6.574 -20.294 -6.211 1.00 0.00 C ATOM 1183 ND1 HIS A 378 -6.253 -20.752 -7.464 1.00 0.00 N flip ATOM 1184 CD2 HIS A 378 -6.528 -21.401 -5.380 1.00 0.00 C flip ATOM 1185 CE1 HIS A 378 -6.010 -22.121 -7.415 1.00 0.00 C flip ATOM 1186 NE2 HIS A 378 -6.189 -22.462 -6.135 1.00 0.00 N flip ATOM 1187 OXT HIS A 378 -5.568 -18.412 -2.864 1.00 0.00 O ATOM 0 H HIS A 378 -5.027 -18.867 -7.156 1.00 0.00 H new ATOM 0 HA HIS A 378 -5.829 -17.166 -5.009 1.00 0.00 H new ATOM 0 HB2 HIS A 378 -7.645 -18.997 -4.889 1.00 0.00 H new ATOM 0 HB3 HIS A 378 -7.396 -18.339 -6.494 1.00 0.00 H new ATOM 0 HD2 HIS A 378 -6.728 -21.411 -4.319 1.00 0.00 H new ATOM 0 HE1 HIS A 378 -5.736 -22.769 -8.235 1.00 0.00 H new ATOM 0 HE2 HIS A 378 -6.082 -23.410 -5.775 1.00 0.00 H new