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 367 LYS NZ :NH3+ 154:sc= 0.0946 (180deg=0) USER MOD Set 1.2: A 368 THR OG1 : rot 112:sc= -1.55! USER MOD Set 1.3: A 371 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 347 CYS SG : rot -75:sc= 1.48 USER MOD Set 2.2: A 351 TYR OH : rot 147:sc= 1.27 USER MOD Set 3.1: A 328 THR OG1 : rot 143:sc= 1.87 USER MOD Set 3.2: A 353 ASN : amide:sc= 0 X(o=1.3,f=1.2) USER MOD Set 3.3: A 354 TYR OH : rot 53:sc= -0.555 USER MOD Single : A 321 THR OG1 : rot -67:sc= 0.597 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 -68:sc= 0.734 USER MOD Single : A 337 ASN : amide:sc= -0.239 K(o=-0.24,f=-2.4!) USER MOD Single : A 342 THR OG1 : rot 180:sc= -0.0972 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= -0.204 X(o=-0.2,f=-0.25) USER MOD Single : A 348 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00444) USER MOD Single : A 349 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.203) USER MOD Single : A 356 THR OG1 : rot 62:sc= 0.534 USER MOD Single : A 357 TYR OH : rot 180:sc= 0 USER MOD Single : A 360 THR OG1 : rot -49:sc= 0.346! USER MOD Single : A 363 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 369 THR OG1 : rot 107:sc= 0.0228 USER MOD Single : A 375 SER OG : rot 180:sc= 0 USER MOD Single : A 378 HIS :FLIP no HD1:sc= -0.236 F(o=-1.6!,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 203 N PRO A 320 11.817 1.876 -7.037 1.00 0.00 N ATOM 204 CA PRO A 320 12.216 0.571 -6.457 1.00 0.00 C ATOM 205 C PRO A 320 12.162 -0.529 -7.522 1.00 0.00 C ATOM 206 O PRO A 320 11.157 -0.721 -8.180 1.00 0.00 O ATOM 207 CB PRO A 320 11.171 0.330 -5.370 1.00 0.00 C ATOM 208 CG PRO A 320 9.976 1.123 -5.796 1.00 0.00 C ATOM 209 CD PRO A 320 10.477 2.289 -6.608 1.00 0.00 C ATOM 0 HA PRO A 320 13.235 0.567 -6.071 1.00 0.00 H new ATOM 0 HB2 PRO A 320 10.930 -0.729 -5.282 1.00 0.00 H new ATOM 0 HB3 PRO A 320 11.534 0.656 -4.395 1.00 0.00 H new ATOM 0 HG2 PRO A 320 9.297 0.507 -6.386 1.00 0.00 H new ATOM 0 HG3 PRO A 320 9.417 1.472 -4.928 1.00 0.00 H new ATOM 0 HD2 PRO A 320 9.829 2.488 -7.461 1.00 0.00 H new ATOM 0 HD3 PRO A 320 10.512 3.202 -6.014 1.00 0.00 H new ATOM 217 N THR A 321 13.236 -1.249 -7.699 1.00 0.00 N ATOM 218 CA THR A 321 13.249 -2.335 -8.722 1.00 0.00 C ATOM 219 C THR A 321 12.084 -3.302 -8.490 1.00 0.00 C ATOM 220 O THR A 321 11.501 -3.342 -7.424 1.00 0.00 O ATOM 221 CB THR A 321 14.586 -3.051 -8.521 1.00 0.00 C ATOM 222 OG1 THR A 321 14.734 -4.062 -9.507 1.00 0.00 O ATOM 223 CG2 THR A 321 14.625 -3.682 -7.129 1.00 0.00 C ATOM 0 H THR A 321 14.106 -1.133 -7.179 1.00 0.00 H new ATOM 0 HA THR A 321 13.140 -1.947 -9.735 1.00 0.00 H new ATOM 0 HB THR A 321 15.400 -2.332 -8.614 1.00 0.00 H new ATOM 0 HG1 THR A 321 14.066 -4.764 -9.359 1.00 0.00 H new ATOM 0 HG21 THR A 321 15.578 -4.192 -6.987 1.00 0.00 H new ATOM 0 HG22 THR A 321 14.514 -2.904 -6.374 1.00 0.00 H new ATOM 0 HG23 THR A 321 13.811 -4.401 -7.032 1.00 0.00 H new ATOM 231 N ASP A 322 11.742 -4.082 -9.480 1.00 0.00 N ATOM 232 CA ASP A 322 10.614 -5.045 -9.317 1.00 0.00 C ATOM 233 C ASP A 322 10.797 -5.861 -8.034 1.00 0.00 C ATOM 234 O ASP A 322 9.846 -6.170 -7.343 1.00 0.00 O ATOM 235 CB ASP A 322 10.678 -5.954 -10.548 1.00 0.00 C ATOM 236 CG ASP A 322 12.132 -6.331 -10.840 1.00 0.00 C ATOM 237 OD1 ASP A 322 12.948 -6.208 -9.941 1.00 0.00 O ATOM 238 OD2 ASP A 322 12.406 -6.734 -11.958 1.00 0.00 O ATOM 0 H ASP A 322 12.194 -4.094 -10.394 1.00 0.00 H new ATOM 0 HA ASP A 322 9.651 -4.540 -9.238 1.00 0.00 H new ATOM 0 HB2 ASP A 322 10.087 -6.854 -10.378 1.00 0.00 H new ATOM 0 HB3 ASP A 322 10.245 -5.446 -11.409 1.00 0.00 H new ATOM 243 N GLU A 323 12.012 -6.208 -7.704 1.00 0.00 N ATOM 244 CA GLU A 323 12.249 -6.999 -6.464 1.00 0.00 C ATOM 245 C GLU A 323 11.642 -6.270 -5.262 1.00 0.00 C ATOM 246 O GLU A 323 11.083 -6.879 -4.371 1.00 0.00 O ATOM 247 CB GLU A 323 13.769 -7.084 -6.331 1.00 0.00 C ATOM 248 CG GLU A 323 14.148 -8.375 -5.599 1.00 0.00 C ATOM 249 CD GLU A 323 14.660 -9.403 -6.608 1.00 0.00 C ATOM 250 OE1 GLU A 323 15.515 -9.050 -7.403 1.00 0.00 O ATOM 251 OE2 GLU A 323 14.188 -10.528 -6.569 1.00 0.00 O ATOM 0 H GLU A 323 12.849 -5.978 -8.239 1.00 0.00 H new ATOM 0 HA GLU A 323 11.793 -7.988 -6.505 1.00 0.00 H new ATOM 0 HB2 GLU A 323 14.232 -7.064 -7.317 1.00 0.00 H new ATOM 0 HB3 GLU A 323 14.145 -6.220 -5.784 1.00 0.00 H new ATOM 0 HG2 GLU A 323 14.915 -8.170 -4.852 1.00 0.00 H new ATOM 0 HG3 GLU A 323 13.283 -8.771 -5.067 1.00 0.00 H new ATOM 258 N GLU A 324 11.746 -4.969 -5.234 1.00 0.00 N ATOM 259 CA GLU A 324 11.171 -4.199 -4.094 1.00 0.00 C ATOM 260 C GLU A 324 9.655 -4.074 -4.263 1.00 0.00 C ATOM 261 O GLU A 324 8.891 -4.436 -3.391 1.00 0.00 O ATOM 262 CB GLU A 324 11.834 -2.823 -4.170 1.00 0.00 C ATOM 263 CG GLU A 324 13.070 -2.801 -3.267 1.00 0.00 C ATOM 264 CD GLU A 324 13.261 -1.395 -2.696 1.00 0.00 C ATOM 265 OE1 GLU A 324 13.751 -0.545 -3.420 1.00 0.00 O ATOM 266 OE2 GLU A 324 12.912 -1.193 -1.544 1.00 0.00 O ATOM 0 H GLU A 324 12.204 -4.406 -5.951 1.00 0.00 H new ATOM 0 HA GLU A 324 11.349 -4.682 -3.133 1.00 0.00 H new ATOM 0 HB2 GLU A 324 12.118 -2.601 -5.199 1.00 0.00 H new ATOM 0 HB3 GLU A 324 11.130 -2.051 -3.860 1.00 0.00 H new ATOM 0 HG2 GLU A 324 12.954 -3.521 -2.457 1.00 0.00 H new ATOM 0 HG3 GLU A 324 13.953 -3.098 -3.834 1.00 0.00 H new ATOM 273 N LEU A 325 9.213 -3.568 -5.382 1.00 0.00 N ATOM 274 CA LEU A 325 7.746 -3.425 -5.605 1.00 0.00 C ATOM 275 C LEU A 325 7.037 -4.737 -5.265 1.00 0.00 C ATOM 276 O LEU A 325 6.189 -4.789 -4.397 1.00 0.00 O ATOM 277 CB LEU A 325 7.596 -3.103 -7.092 1.00 0.00 C ATOM 278 CG LEU A 325 7.790 -1.603 -7.312 1.00 0.00 C ATOM 279 CD1 LEU A 325 7.672 -1.286 -8.803 1.00 0.00 C ATOM 280 CD2 LEU A 325 6.714 -0.833 -6.541 1.00 0.00 C ATOM 0 H LEU A 325 9.803 -3.248 -6.150 1.00 0.00 H new ATOM 0 HA LEU A 325 7.305 -2.650 -4.978 1.00 0.00 H new ATOM 0 HB2 LEU A 325 8.329 -3.664 -7.672 1.00 0.00 H new ATOM 0 HB3 LEU A 325 6.610 -3.408 -7.443 1.00 0.00 H new ATOM 0 HG LEU A 325 8.777 -1.308 -6.955 1.00 0.00 H new ATOM 0 HD11 LEU A 325 7.810 -0.216 -8.960 1.00 0.00 H new ATOM 0 HD12 LEU A 325 8.436 -1.835 -9.353 1.00 0.00 H new ATOM 0 HD13 LEU A 325 6.685 -1.580 -9.161 1.00 0.00 H new ATOM 0 HD21 LEU A 325 6.851 0.237 -6.697 1.00 0.00 H new ATOM 0 HD22 LEU A 325 5.728 -1.129 -6.899 1.00 0.00 H new ATOM 0 HD23 LEU A 325 6.797 -1.059 -5.478 1.00 0.00 H new ATOM 292 N LYS A 326 7.383 -5.800 -5.939 1.00 0.00 N ATOM 293 CA LYS A 326 6.730 -7.108 -5.645 1.00 0.00 C ATOM 294 C LYS A 326 6.769 -7.382 -4.141 1.00 0.00 C ATOM 295 O LYS A 326 5.779 -7.749 -3.543 1.00 0.00 O ATOM 296 CB LYS A 326 7.557 -8.146 -6.405 1.00 0.00 C ATOM 297 CG LYS A 326 6.701 -9.385 -6.675 1.00 0.00 C ATOM 298 CD LYS A 326 6.580 -10.214 -5.393 1.00 0.00 C ATOM 299 CE LYS A 326 5.934 -11.562 -5.716 1.00 0.00 C ATOM 300 NZ LYS A 326 6.815 -12.576 -5.071 1.00 0.00 N ATOM 0 H LYS A 326 8.086 -5.820 -6.677 1.00 0.00 H new ATOM 0 HA LYS A 326 5.683 -7.128 -5.947 1.00 0.00 H new ATOM 0 HB2 LYS A 326 7.913 -7.725 -7.345 1.00 0.00 H new ATOM 0 HB3 LYS A 326 8.438 -8.420 -5.825 1.00 0.00 H new ATOM 0 HG2 LYS A 326 5.712 -9.087 -7.023 1.00 0.00 H new ATOM 0 HG3 LYS A 326 7.150 -9.984 -7.467 1.00 0.00 H new ATOM 0 HD2 LYS A 326 7.565 -10.367 -4.952 1.00 0.00 H new ATOM 0 HD3 LYS A 326 5.981 -9.679 -4.656 1.00 0.00 H new ATOM 0 HE2 LYS A 326 4.918 -11.616 -5.325 1.00 0.00 H new ATOM 0 HE3 LYS A 326 5.871 -11.722 -6.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 326 6.436 -13.528 -5.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 326 7.774 -12.505 -5.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 326 6.851 -12.403 -4.046 1.00 0.00 H new ATOM 314 N GLU A 327 7.904 -7.203 -3.523 1.00 0.00 N ATOM 315 CA GLU A 327 8.000 -7.451 -2.057 1.00 0.00 C ATOM 316 C GLU A 327 6.876 -6.712 -1.327 1.00 0.00 C ATOM 317 O GLU A 327 6.154 -7.285 -0.536 1.00 0.00 O ATOM 318 CB GLU A 327 9.364 -6.892 -1.650 1.00 0.00 C ATOM 319 CG GLU A 327 9.534 -7.012 -0.134 1.00 0.00 C ATOM 320 CD GLU A 327 10.124 -8.382 0.208 1.00 0.00 C ATOM 321 OE1 GLU A 327 10.559 -9.063 -0.707 1.00 0.00 O ATOM 322 OE2 GLU A 327 10.131 -8.726 1.379 1.00 0.00 O ATOM 0 H GLU A 327 8.768 -6.896 -3.969 1.00 0.00 H new ATOM 0 HA GLU A 327 7.903 -8.507 -1.806 1.00 0.00 H new ATOM 0 HB2 GLU A 327 10.159 -7.437 -2.160 1.00 0.00 H new ATOM 0 HB3 GLU A 327 9.447 -5.849 -1.954 1.00 0.00 H new ATOM 0 HG2 GLU A 327 10.188 -6.221 0.233 1.00 0.00 H new ATOM 0 HG3 GLU A 327 8.571 -6.885 0.362 1.00 0.00 H new ATOM 329 N THR A 328 6.719 -5.443 -1.591 1.00 0.00 N ATOM 330 CA THR A 328 5.638 -4.668 -0.916 1.00 0.00 C ATOM 331 C THR A 328 4.293 -5.385 -1.079 1.00 0.00 C ATOM 332 O THR A 328 3.588 -5.632 -0.121 1.00 0.00 O ATOM 333 CB THR A 328 5.617 -3.317 -1.631 1.00 0.00 C ATOM 334 OG1 THR A 328 6.860 -2.658 -1.433 1.00 0.00 O ATOM 335 CG2 THR A 328 4.485 -2.455 -1.070 1.00 0.00 C ATOM 0 H THR A 328 7.292 -4.909 -2.245 1.00 0.00 H new ATOM 0 HA THR A 328 5.812 -4.560 0.155 1.00 0.00 H new ATOM 0 HB THR A 328 5.454 -3.474 -2.697 1.00 0.00 H new ATOM 0 HG1 THR A 328 7.110 -2.179 -2.250 1.00 0.00 H new ATOM 0 HG21 THR A 328 4.473 -1.493 -1.582 1.00 0.00 H new ATOM 0 HG22 THR A 328 3.532 -2.961 -1.225 1.00 0.00 H new ATOM 0 HG23 THR A 328 4.643 -2.297 -0.003 1.00 0.00 H new ATOM 343 N ILE A 329 3.936 -5.723 -2.289 1.00 0.00 N ATOM 344 CA ILE A 329 2.639 -6.424 -2.513 1.00 0.00 C ATOM 345 C ILE A 329 2.645 -7.781 -1.808 1.00 0.00 C ATOM 346 O ILE A 329 1.757 -8.097 -1.043 1.00 0.00 O ATOM 347 CB ILE A 329 2.545 -6.609 -4.025 1.00 0.00 C ATOM 348 CG1 ILE A 329 2.642 -5.246 -4.713 1.00 0.00 C ATOM 349 CG2 ILE A 329 1.206 -7.261 -4.372 1.00 0.00 C ATOM 350 CD1 ILE A 329 3.490 -5.371 -5.979 1.00 0.00 C ATOM 0 H ILE A 329 4.485 -5.545 -3.130 1.00 0.00 H new ATOM 0 HA ILE A 329 1.793 -5.863 -2.117 1.00 0.00 H new ATOM 0 HB ILE A 329 3.361 -7.246 -4.366 1.00 0.00 H new ATOM 0 HG12 ILE A 329 1.646 -4.882 -4.965 1.00 0.00 H new ATOM 0 HG13 ILE A 329 3.086 -4.516 -4.036 1.00 0.00 H new ATOM 0 HG21 ILE A 329 1.135 -7.395 -5.451 1.00 0.00 H new ATOM 0 HG22 ILE A 329 1.136 -8.231 -3.881 1.00 0.00 H new ATOM 0 HG23 ILE A 329 0.391 -6.622 -4.031 1.00 0.00 H new ATOM 0 HD11 ILE A 329 3.558 -4.399 -6.468 1.00 0.00 H new ATOM 0 HD12 ILE A 329 4.490 -5.715 -5.715 1.00 0.00 H new ATOM 0 HD13 ILE A 329 3.027 -6.087 -6.658 1.00 0.00 H new ATOM 362 N LYS A 330 3.642 -8.585 -2.057 1.00 0.00 N ATOM 363 CA LYS A 330 3.710 -9.918 -1.397 1.00 0.00 C ATOM 364 C LYS A 330 3.336 -9.779 0.081 1.00 0.00 C ATOM 365 O LYS A 330 2.831 -10.697 0.696 1.00 0.00 O ATOM 366 CB LYS A 330 5.167 -10.360 -1.549 1.00 0.00 C ATOM 367 CG LYS A 330 5.475 -11.473 -0.545 1.00 0.00 C ATOM 368 CD LYS A 330 6.177 -10.878 0.676 1.00 0.00 C ATOM 369 CE LYS A 330 6.329 -11.954 1.754 1.00 0.00 C ATOM 370 NZ LYS A 330 7.793 -12.214 1.833 1.00 0.00 N ATOM 0 H LYS A 330 4.414 -8.375 -2.690 1.00 0.00 H new ATOM 0 HA LYS A 330 3.023 -10.641 -1.836 1.00 0.00 H new ATOM 0 HB2 LYS A 330 5.346 -10.713 -2.565 1.00 0.00 H new ATOM 0 HB3 LYS A 330 5.833 -9.513 -1.384 1.00 0.00 H new ATOM 0 HG2 LYS A 330 4.553 -11.969 -0.242 1.00 0.00 H new ATOM 0 HG3 LYS A 330 6.107 -12.230 -1.008 1.00 0.00 H new ATOM 0 HD2 LYS A 330 7.156 -10.491 0.393 1.00 0.00 H new ATOM 0 HD3 LYS A 330 5.602 -10.037 1.065 1.00 0.00 H new ATOM 0 HE2 LYS A 330 5.936 -11.612 2.712 1.00 0.00 H new ATOM 0 HE3 LYS A 330 5.781 -12.858 1.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 330 7.978 -12.942 2.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 330 8.137 -12.545 0.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 330 8.288 -11.337 2.093 1.00 0.00 H new ATOM 384 N LYS A 331 3.575 -8.630 0.649 1.00 0.00 N ATOM 385 CA LYS A 331 3.228 -8.420 2.082 1.00 0.00 C ATOM 386 C LYS A 331 1.736 -8.105 2.210 1.00 0.00 C ATOM 387 O LYS A 331 1.098 -8.448 3.186 1.00 0.00 O ATOM 388 CB LYS A 331 4.071 -7.221 2.520 1.00 0.00 C ATOM 389 CG LYS A 331 4.547 -7.427 3.959 1.00 0.00 C ATOM 390 CD LYS A 331 6.073 -7.518 3.983 1.00 0.00 C ATOM 391 CE LYS A 331 6.496 -8.951 4.320 1.00 0.00 C ATOM 392 NZ LYS A 331 6.450 -9.029 5.808 1.00 0.00 N ATOM 0 H LYS A 331 3.996 -7.827 0.182 1.00 0.00 H new ATOM 0 HA LYS A 331 3.426 -9.299 2.695 1.00 0.00 H new ATOM 0 HB2 LYS A 331 4.928 -7.104 1.856 1.00 0.00 H new ATOM 0 HB3 LYS A 331 3.484 -6.305 2.448 1.00 0.00 H new ATOM 0 HG2 LYS A 331 4.211 -6.601 4.586 1.00 0.00 H new ATOM 0 HG3 LYS A 331 4.111 -8.337 4.371 1.00 0.00 H new ATOM 0 HD2 LYS A 331 6.480 -7.226 3.015 1.00 0.00 H new ATOM 0 HD3 LYS A 331 6.477 -6.825 4.721 1.00 0.00 H new ATOM 0 HE2 LYS A 331 5.823 -9.678 3.866 1.00 0.00 H new ATOM 0 HE3 LYS A 331 7.497 -9.165 3.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 331 6.728 -9.983 6.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 331 7.106 -8.331 6.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 331 5.484 -8.828 6.136 1.00 0.00 H new ATOM 406 N LEU A 332 1.177 -7.460 1.223 1.00 0.00 N ATOM 407 CA LEU A 332 -0.275 -7.126 1.275 1.00 0.00 C ATOM 408 C LEU A 332 -1.110 -8.408 1.220 1.00 0.00 C ATOM 409 O LEU A 332 -1.822 -8.740 2.147 1.00 0.00 O ATOM 410 CB LEU A 332 -0.529 -6.269 0.034 1.00 0.00 C ATOM 411 CG LEU A 332 0.414 -5.064 0.037 1.00 0.00 C ATOM 412 CD1 LEU A 332 0.199 -4.242 -1.236 1.00 0.00 C ATOM 413 CD2 LEU A 332 0.124 -4.194 1.261 1.00 0.00 C ATOM 0 H LEU A 332 1.663 -7.149 0.382 1.00 0.00 H new ATOM 0 HA LEU A 332 -0.548 -6.605 2.193 1.00 0.00 H new ATOM 0 HB2 LEU A 332 -0.374 -6.862 -0.867 1.00 0.00 H new ATOM 0 HB3 LEU A 332 -1.565 -5.932 0.019 1.00 0.00 H new ATOM 0 HG LEU A 332 1.447 -5.411 0.073 1.00 0.00 H new ATOM 0 HD11 LEU A 332 0.871 -3.384 -1.233 1.00 0.00 H new ATOM 0 HD12 LEU A 332 0.406 -4.862 -2.109 1.00 0.00 H new ATOM 0 HD13 LEU A 332 -0.833 -3.894 -1.274 1.00 0.00 H new ATOM 0 HD21 LEU A 332 0.795 -3.335 1.264 1.00 0.00 H new ATOM 0 HD22 LEU A 332 -0.909 -3.847 1.224 1.00 0.00 H new ATOM 0 HD23 LEU A 332 0.279 -4.779 2.168 1.00 0.00 H new ATOM 425 N LEU A 333 -1.025 -9.134 0.138 1.00 0.00 N ATOM 426 CA LEU A 333 -1.810 -10.397 0.020 1.00 0.00 C ATOM 427 C LEU A 333 -1.497 -11.327 1.194 1.00 0.00 C ATOM 428 O LEU A 333 -2.362 -12.013 1.704 1.00 0.00 O ATOM 429 CB LEU A 333 -1.352 -11.024 -1.298 1.00 0.00 C ATOM 430 CG LEU A 333 0.153 -11.294 -1.240 1.00 0.00 C ATOM 431 CD1 LEU A 333 0.401 -12.665 -0.610 1.00 0.00 C ATOM 432 CD2 LEU A 333 0.730 -11.273 -2.658 1.00 0.00 C ATOM 0 H LEU A 333 -0.445 -8.907 -0.670 1.00 0.00 H new ATOM 0 HA LEU A 333 -2.885 -10.218 0.036 1.00 0.00 H new ATOM 0 HB2 LEU A 333 -1.892 -11.954 -1.478 1.00 0.00 H new ATOM 0 HB3 LEU A 333 -1.581 -10.357 -2.129 1.00 0.00 H new ATOM 0 HG LEU A 333 0.637 -10.525 -0.639 1.00 0.00 H new ATOM 0 HD11 LEU A 333 1.473 -12.858 -0.568 1.00 0.00 H new ATOM 0 HD12 LEU A 333 -0.010 -12.681 0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 333 -0.083 -13.435 -1.211 1.00 0.00 H new ATOM 0 HD21 LEU A 333 1.802 -11.465 -2.617 1.00 0.00 H new ATOM 0 HD22 LEU A 333 0.246 -12.043 -3.259 1.00 0.00 H new ATOM 0 HD23 LEU A 333 0.553 -10.296 -3.108 1.00 0.00 H new ATOM 444 N ALA A 334 -0.265 -11.359 1.624 1.00 0.00 N ATOM 445 CA ALA A 334 0.107 -12.249 2.762 1.00 0.00 C ATOM 446 C ALA A 334 -0.676 -11.866 4.021 1.00 0.00 C ATOM 447 O ALA A 334 -0.682 -12.585 5.001 1.00 0.00 O ATOM 448 CB ALA A 334 1.603 -12.012 2.973 1.00 0.00 C ATOM 0 H ALA A 334 0.501 -10.807 1.237 1.00 0.00 H new ATOM 0 HA ALA A 334 -0.120 -13.295 2.556 1.00 0.00 H new ATOM 0 HB1 ALA A 334 1.957 -12.632 3.797 1.00 0.00 H new ATOM 0 HB2 ALA A 334 2.144 -12.273 2.064 1.00 0.00 H new ATOM 0 HB3 ALA A 334 1.775 -10.962 3.209 1.00 0.00 H new ATOM 454 N SER A 335 -1.335 -10.740 4.008 1.00 0.00 N ATOM 455 CA SER A 335 -2.112 -10.318 5.209 1.00 0.00 C ATOM 456 C SER A 335 -3.604 -10.235 4.875 1.00 0.00 C ATOM 457 O SER A 335 -4.377 -9.634 5.594 1.00 0.00 O ATOM 458 CB SER A 335 -1.566 -8.938 5.571 1.00 0.00 C ATOM 459 OG SER A 335 -1.791 -8.047 4.487 1.00 0.00 O ATOM 0 H SER A 335 -1.369 -10.094 3.219 1.00 0.00 H new ATOM 0 HA SER A 335 -2.011 -11.025 6.033 1.00 0.00 H new ATOM 0 HB2 SER A 335 -2.055 -8.565 6.471 1.00 0.00 H new ATOM 0 HB3 SER A 335 -0.500 -9.001 5.790 1.00 0.00 H new ATOM 0 HG SER A 335 -1.229 -8.307 3.728 1.00 0.00 H new ATOM 465 N ALA A 336 -4.014 -10.834 3.791 1.00 0.00 N ATOM 466 CA ALA A 336 -5.457 -10.785 3.417 1.00 0.00 C ATOM 467 C ALA A 336 -5.806 -11.960 2.501 1.00 0.00 C ATOM 468 O ALA A 336 -4.948 -12.547 1.873 1.00 0.00 O ATOM 469 CB ALA A 336 -5.627 -9.459 2.674 1.00 0.00 C ATOM 0 H ALA A 336 -3.415 -11.354 3.149 1.00 0.00 H new ATOM 0 HA ALA A 336 -6.112 -10.854 4.286 1.00 0.00 H new ATOM 0 HB1 ALA A 336 -6.666 -9.346 2.364 1.00 0.00 H new ATOM 0 HB2 ALA A 336 -5.354 -8.635 3.333 1.00 0.00 H new ATOM 0 HB3 ALA A 336 -4.983 -9.449 1.795 1.00 0.00 H new ATOM 475 N ASN A 337 -7.062 -12.306 2.417 1.00 0.00 N ATOM 476 CA ASN A 337 -7.462 -13.441 1.537 1.00 0.00 C ATOM 477 C ASN A 337 -7.350 -13.027 0.068 1.00 0.00 C ATOM 478 O ASN A 337 -7.909 -12.032 -0.352 1.00 0.00 O ATOM 479 CB ASN A 337 -8.915 -13.738 1.905 1.00 0.00 C ATOM 480 CG ASN A 337 -8.964 -14.909 2.888 1.00 0.00 C ATOM 481 OD1 ASN A 337 -8.088 -15.753 2.890 1.00 0.00 O ATOM 482 ND2 ASN A 337 -9.956 -14.997 3.731 1.00 0.00 N ATOM 0 H ASN A 337 -7.826 -11.853 2.918 1.00 0.00 H new ATOM 0 HA ASN A 337 -6.826 -14.316 1.672 1.00 0.00 H new ATOM 0 HB2 ASN A 337 -9.376 -12.856 2.350 1.00 0.00 H new ATOM 0 HB3 ASN A 337 -9.486 -13.978 1.008 1.00 0.00 H new ATOM 0 HD21 ASN A 337 -9.997 -15.773 4.391 1.00 0.00 H new ATOM 0 HD22 ASN A 337 -10.691 -14.289 3.730 1.00 0.00 H new ATOM 489 N LEU A 338 -6.625 -13.779 -0.713 1.00 0.00 N ATOM 490 CA LEU A 338 -6.466 -13.429 -2.155 1.00 0.00 C ATOM 491 C LEU A 338 -7.832 -13.250 -2.823 1.00 0.00 C ATOM 492 O LEU A 338 -8.074 -12.277 -3.509 1.00 0.00 O ATOM 493 CB LEU A 338 -5.721 -14.616 -2.771 1.00 0.00 C ATOM 494 CG LEU A 338 -4.421 -14.868 -2.003 1.00 0.00 C ATOM 495 CD1 LEU A 338 -3.522 -15.802 -2.814 1.00 0.00 C ATOM 496 CD2 LEU A 338 -3.694 -13.541 -1.769 1.00 0.00 C ATOM 0 H LEU A 338 -6.134 -14.622 -0.416 1.00 0.00 H new ATOM 0 HA LEU A 338 -5.928 -12.491 -2.289 1.00 0.00 H new ATOM 0 HB2 LEU A 338 -6.349 -15.506 -2.742 1.00 0.00 H new ATOM 0 HB3 LEU A 338 -5.501 -14.415 -3.820 1.00 0.00 H new ATOM 0 HG LEU A 338 -4.654 -15.327 -1.042 1.00 0.00 H new ATOM 0 HD11 LEU A 338 -2.596 -15.981 -2.267 1.00 0.00 H new ATOM 0 HD12 LEU A 338 -4.036 -16.749 -2.979 1.00 0.00 H new ATOM 0 HD13 LEU A 338 -3.292 -15.342 -3.775 1.00 0.00 H new ATOM 0 HD21 LEU A 338 -2.769 -13.724 -1.222 1.00 0.00 H new ATOM 0 HD22 LEU A 338 -3.463 -13.079 -2.729 1.00 0.00 H new ATOM 0 HD23 LEU A 338 -4.332 -12.874 -1.189 1.00 0.00 H new ATOM 508 N GLU A 339 -8.724 -14.184 -2.638 1.00 0.00 N ATOM 509 CA GLU A 339 -10.068 -14.066 -3.276 1.00 0.00 C ATOM 510 C GLU A 339 -10.866 -12.920 -2.645 1.00 0.00 C ATOM 511 O GLU A 339 -11.894 -12.519 -3.153 1.00 0.00 O ATOM 512 CB GLU A 339 -10.756 -15.405 -3.010 1.00 0.00 C ATOM 513 CG GLU A 339 -11.615 -15.784 -4.218 1.00 0.00 C ATOM 514 CD GLU A 339 -12.285 -17.136 -3.968 1.00 0.00 C ATOM 515 OE1 GLU A 339 -13.243 -17.169 -3.214 1.00 0.00 O ATOM 516 OE2 GLU A 339 -11.827 -18.115 -4.533 1.00 0.00 O ATOM 0 H GLU A 339 -8.582 -15.022 -2.074 1.00 0.00 H new ATOM 0 HA GLU A 339 -9.994 -13.848 -4.341 1.00 0.00 H new ATOM 0 HB2 GLU A 339 -10.011 -16.178 -2.823 1.00 0.00 H new ATOM 0 HB3 GLU A 339 -11.376 -15.337 -2.116 1.00 0.00 H new ATOM 0 HG2 GLU A 339 -12.371 -15.019 -4.393 1.00 0.00 H new ATOM 0 HG3 GLU A 339 -10.997 -15.833 -5.115 1.00 0.00 H new ATOM 523 N GLU A 340 -10.404 -12.389 -1.547 1.00 0.00 N ATOM 524 CA GLU A 340 -11.147 -11.271 -0.896 1.00 0.00 C ATOM 525 C GLU A 340 -10.422 -9.943 -1.130 1.00 0.00 C ATOM 526 O GLU A 340 -10.811 -8.914 -0.613 1.00 0.00 O ATOM 527 CB GLU A 340 -11.173 -11.620 0.591 1.00 0.00 C ATOM 528 CG GLU A 340 -12.599 -11.465 1.124 1.00 0.00 C ATOM 529 CD GLU A 340 -12.560 -11.282 2.642 1.00 0.00 C ATOM 530 OE1 GLU A 340 -11.535 -10.849 3.142 1.00 0.00 O ATOM 531 OE2 GLU A 340 -13.557 -11.580 3.280 1.00 0.00 O ATOM 0 H GLU A 340 -9.548 -12.678 -1.073 1.00 0.00 H new ATOM 0 HA GLU A 340 -12.152 -11.155 -1.301 1.00 0.00 H new ATOM 0 HB2 GLU A 340 -10.825 -12.642 0.742 1.00 0.00 H new ATOM 0 HB3 GLU A 340 -10.494 -10.968 1.141 1.00 0.00 H new ATOM 0 HG2 GLU A 340 -13.082 -10.607 0.656 1.00 0.00 H new ATOM 0 HG3 GLU A 340 -13.192 -12.343 0.868 1.00 0.00 H new ATOM 538 N VAL A 341 -9.375 -9.957 -1.908 1.00 0.00 N ATOM 539 CA VAL A 341 -8.632 -8.695 -2.179 1.00 0.00 C ATOM 540 C VAL A 341 -8.932 -8.211 -3.599 1.00 0.00 C ATOM 541 O VAL A 341 -9.172 -8.996 -4.496 1.00 0.00 O ATOM 542 CB VAL A 341 -7.154 -9.063 -2.039 1.00 0.00 C ATOM 543 CG1 VAL A 341 -6.289 -7.887 -2.495 1.00 0.00 C ATOM 544 CG2 VAL A 341 -6.845 -9.381 -0.574 1.00 0.00 C ATOM 0 H VAL A 341 -9.002 -10.788 -2.368 1.00 0.00 H new ATOM 0 HA VAL A 341 -8.914 -7.892 -1.498 1.00 0.00 H new ATOM 0 HB VAL A 341 -6.938 -9.935 -2.656 1.00 0.00 H new ATOM 0 HG11 VAL A 341 -5.236 -8.150 -2.395 1.00 0.00 H new ATOM 0 HG12 VAL A 341 -6.508 -7.657 -3.538 1.00 0.00 H new ATOM 0 HG13 VAL A 341 -6.506 -7.015 -1.878 1.00 0.00 H new ATOM 0 HG21 VAL A 341 -5.792 -9.643 -0.473 1.00 0.00 H new ATOM 0 HG22 VAL A 341 -7.062 -8.508 0.041 1.00 0.00 H new ATOM 0 HG23 VAL A 341 -7.461 -10.218 -0.246 1.00 0.00 H new ATOM 554 N THR A 342 -8.923 -6.927 -3.810 1.00 0.00 N ATOM 555 CA THR A 342 -9.212 -6.394 -5.172 1.00 0.00 C ATOM 556 C THR A 342 -8.066 -5.498 -5.649 1.00 0.00 C ATOM 557 O THR A 342 -7.281 -5.004 -4.864 1.00 0.00 O ATOM 558 CB THR A 342 -10.500 -5.583 -5.018 1.00 0.00 C ATOM 559 OG1 THR A 342 -10.336 -4.632 -3.975 1.00 0.00 O ATOM 560 CG2 THR A 342 -11.659 -6.521 -4.678 1.00 0.00 C ATOM 0 H THR A 342 -8.728 -6.221 -3.100 1.00 0.00 H new ATOM 0 HA THR A 342 -9.318 -7.190 -5.910 1.00 0.00 H new ATOM 0 HB THR A 342 -10.718 -5.065 -5.952 1.00 0.00 H new ATOM 0 HG1 THR A 342 -11.159 -4.110 -3.876 1.00 0.00 H new ATOM 0 HG21 THR A 342 -12.576 -5.942 -4.569 1.00 0.00 H new ATOM 0 HG22 THR A 342 -11.784 -7.250 -5.479 1.00 0.00 H new ATOM 0 HG23 THR A 342 -11.445 -7.041 -3.744 1.00 0.00 H new ATOM 568 N MET A 343 -7.968 -5.286 -6.933 1.00 0.00 N ATOM 569 CA MET A 343 -6.876 -4.422 -7.468 1.00 0.00 C ATOM 570 C MET A 343 -6.909 -3.047 -6.796 1.00 0.00 C ATOM 571 O MET A 343 -5.901 -2.382 -6.670 1.00 0.00 O ATOM 572 CB MET A 343 -7.172 -4.295 -8.963 1.00 0.00 C ATOM 573 CG MET A 343 -8.659 -3.998 -9.167 1.00 0.00 C ATOM 574 SD MET A 343 -8.893 -3.149 -10.748 1.00 0.00 S ATOM 575 CE MET A 343 -9.844 -4.455 -11.566 1.00 0.00 C ATOM 0 H MET A 343 -8.597 -5.674 -7.636 1.00 0.00 H new ATOM 0 HA MET A 343 -5.888 -4.842 -7.280 1.00 0.00 H new ATOM 0 HB2 MET A 343 -6.568 -3.498 -9.397 1.00 0.00 H new ATOM 0 HB3 MET A 343 -6.901 -5.217 -9.478 1.00 0.00 H new ATOM 0 HG2 MET A 343 -9.231 -4.925 -9.152 1.00 0.00 H new ATOM 0 HG3 MET A 343 -9.033 -3.379 -8.351 1.00 0.00 H new ATOM 0 HE1 MET A 343 -10.101 -4.139 -12.577 1.00 0.00 H new ATOM 0 HE2 MET A 343 -9.247 -5.366 -11.612 1.00 0.00 H new ATOM 0 HE3 MET A 343 -10.757 -4.648 -11.003 1.00 0.00 H new ATOM 585 N LYS A 344 -8.063 -2.616 -6.365 1.00 0.00 N ATOM 586 CA LYS A 344 -8.164 -1.283 -5.704 1.00 0.00 C ATOM 587 C LYS A 344 -7.394 -1.285 -4.380 1.00 0.00 C ATOM 588 O LYS A 344 -6.691 -0.348 -4.060 1.00 0.00 O ATOM 589 CB LYS A 344 -9.659 -1.080 -5.455 1.00 0.00 C ATOM 590 CG LYS A 344 -9.879 0.253 -4.740 1.00 0.00 C ATOM 591 CD LYS A 344 -11.242 0.825 -5.133 1.00 0.00 C ATOM 592 CE LYS A 344 -11.309 2.302 -4.740 1.00 0.00 C ATOM 593 NZ LYS A 344 -12.253 2.352 -3.588 1.00 0.00 N ATOM 0 H LYS A 344 -8.941 -3.129 -6.442 1.00 0.00 H new ATOM 0 HA LYS A 344 -7.738 -0.486 -6.314 1.00 0.00 H new ATOM 0 HB2 LYS A 344 -10.201 -1.092 -6.401 1.00 0.00 H new ATOM 0 HB3 LYS A 344 -10.053 -1.898 -4.852 1.00 0.00 H new ATOM 0 HG2 LYS A 344 -9.830 0.111 -3.660 1.00 0.00 H new ATOM 0 HG3 LYS A 344 -9.088 0.955 -5.005 1.00 0.00 H new ATOM 0 HD2 LYS A 344 -11.398 0.716 -6.206 1.00 0.00 H new ATOM 0 HD3 LYS A 344 -12.038 0.269 -4.637 1.00 0.00 H new ATOM 0 HE2 LYS A 344 -10.326 2.681 -4.461 1.00 0.00 H new ATOM 0 HE3 LYS A 344 -11.664 2.915 -5.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 344 -12.351 3.335 -3.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 344 -13.182 1.991 -3.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 344 -11.885 1.765 -2.812 1.00 0.00 H new ATOM 607 N GLN A 345 -7.523 -2.330 -3.607 1.00 0.00 N ATOM 608 CA GLN A 345 -6.798 -2.386 -2.304 1.00 0.00 C ATOM 609 C GLN A 345 -5.287 -2.460 -2.541 1.00 0.00 C ATOM 610 O GLN A 345 -4.506 -1.888 -1.806 1.00 0.00 O ATOM 611 CB GLN A 345 -7.298 -3.663 -1.627 1.00 0.00 C ATOM 612 CG GLN A 345 -8.728 -3.451 -1.126 1.00 0.00 C ATOM 613 CD GLN A 345 -8.853 -3.973 0.306 1.00 0.00 C ATOM 614 OE1 GLN A 345 -9.263 -3.254 1.195 1.00 0.00 O ATOM 615 NE2 GLN A 345 -8.514 -5.206 0.570 1.00 0.00 N ATOM 0 H GLN A 345 -8.097 -3.145 -3.820 1.00 0.00 H new ATOM 0 HA GLN A 345 -6.980 -1.502 -1.692 1.00 0.00 H new ATOM 0 HB2 GLN A 345 -7.268 -4.495 -2.330 1.00 0.00 H new ATOM 0 HB3 GLN A 345 -6.645 -3.925 -0.794 1.00 0.00 H new ATOM 0 HG2 GLN A 345 -8.983 -2.392 -1.161 1.00 0.00 H new ATOM 0 HG3 GLN A 345 -9.432 -3.970 -1.776 1.00 0.00 H new ATOM 0 HE21 GLN A 345 -8.170 -5.811 -0.175 1.00 0.00 H new ATOM 0 HE22 GLN A 345 -8.594 -5.564 1.522 1.00 0.00 H new ATOM 624 N ILE A 346 -4.870 -3.160 -3.560 1.00 0.00 N ATOM 625 CA ILE A 346 -3.409 -3.269 -3.840 1.00 0.00 C ATOM 626 C ILE A 346 -2.821 -1.889 -4.139 1.00 0.00 C ATOM 627 O ILE A 346 -1.793 -1.514 -3.611 1.00 0.00 O ATOM 628 CB ILE A 346 -3.311 -4.171 -5.070 1.00 0.00 C ATOM 629 CG1 ILE A 346 -3.795 -5.578 -4.709 1.00 0.00 C ATOM 630 CG2 ILE A 346 -1.857 -4.237 -5.541 1.00 0.00 C ATOM 631 CD1 ILE A 346 -3.149 -6.023 -3.396 1.00 0.00 C ATOM 0 H ILE A 346 -5.476 -3.661 -4.210 1.00 0.00 H new ATOM 0 HA ILE A 346 -2.855 -3.671 -2.992 1.00 0.00 H new ATOM 0 HB ILE A 346 -3.932 -3.766 -5.868 1.00 0.00 H new ATOM 0 HG12 ILE A 346 -4.881 -5.586 -4.613 1.00 0.00 H new ATOM 0 HG13 ILE A 346 -3.540 -6.277 -5.506 1.00 0.00 H new ATOM 0 HG21 ILE A 346 -1.788 -4.880 -6.418 1.00 0.00 H new ATOM 0 HG22 ILE A 346 -1.512 -3.235 -5.797 1.00 0.00 H new ATOM 0 HG23 ILE A 346 -1.234 -4.642 -4.744 1.00 0.00 H new ATOM 0 HD11 ILE A 346 -3.495 -7.025 -3.141 1.00 0.00 H new ATOM 0 HD12 ILE A 346 -2.065 -6.031 -3.508 1.00 0.00 H new ATOM 0 HD13 ILE A 346 -3.426 -5.330 -2.601 1.00 0.00 H new ATOM 643 N CYS A 347 -3.464 -1.130 -4.983 1.00 0.00 N ATOM 644 CA CYS A 347 -2.940 0.226 -5.315 1.00 0.00 C ATOM 645 C CYS A 347 -2.901 1.103 -4.060 1.00 0.00 C ATOM 646 O CYS A 347 -1.965 1.844 -3.839 1.00 0.00 O ATOM 647 CB CYS A 347 -3.925 0.793 -6.337 1.00 0.00 C ATOM 648 SG CYS A 347 -3.345 0.408 -8.009 1.00 0.00 S ATOM 0 H CYS A 347 -4.329 -1.389 -5.457 1.00 0.00 H new ATOM 0 HA CYS A 347 -1.923 0.190 -5.706 1.00 0.00 H new ATOM 0 HB2 CYS A 347 -4.916 0.369 -6.177 1.00 0.00 H new ATOM 0 HB3 CYS A 347 -4.016 1.872 -6.211 1.00 0.00 H new ATOM 0 HG CYS A 347 -2.348 1.185 -8.312 1.00 0.00 H new ATOM 654 N LYS A 348 -3.911 1.024 -3.237 1.00 0.00 N ATOM 655 CA LYS A 348 -3.930 1.857 -1.999 1.00 0.00 C ATOM 656 C LYS A 348 -2.745 1.495 -1.098 1.00 0.00 C ATOM 657 O LYS A 348 -1.915 2.325 -0.786 1.00 0.00 O ATOM 658 CB LYS A 348 -5.250 1.515 -1.308 1.00 0.00 C ATOM 659 CG LYS A 348 -6.416 2.087 -2.116 1.00 0.00 C ATOM 660 CD LYS A 348 -6.389 3.615 -2.043 1.00 0.00 C ATOM 661 CE LYS A 348 -7.595 4.109 -1.240 1.00 0.00 C ATOM 662 NZ LYS A 348 -7.147 4.085 0.180 1.00 0.00 N ATOM 0 H LYS A 348 -4.723 0.420 -3.367 1.00 0.00 H new ATOM 0 HA LYS A 348 -3.849 2.921 -2.219 1.00 0.00 H new ATOM 0 HB2 LYS A 348 -5.354 0.434 -1.216 1.00 0.00 H new ATOM 0 HB3 LYS A 348 -5.260 1.924 -0.298 1.00 0.00 H new ATOM 0 HG2 LYS A 348 -6.347 1.761 -3.154 1.00 0.00 H new ATOM 0 HG3 LYS A 348 -7.362 1.711 -1.726 1.00 0.00 H new ATOM 0 HD2 LYS A 348 -5.464 3.951 -1.574 1.00 0.00 H new ATOM 0 HD3 LYS A 348 -6.409 4.038 -3.047 1.00 0.00 H new ATOM 0 HE2 LYS A 348 -7.888 5.114 -1.545 1.00 0.00 H new ATOM 0 HE3 LYS A 348 -8.461 3.465 -1.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 348 -7.915 4.427 0.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 348 -6.897 3.112 0.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 348 -6.315 4.699 0.292 1.00 0.00 H new ATOM 676 N LYS A 349 -2.664 0.263 -0.674 1.00 0.00 N ATOM 677 CA LYS A 349 -1.535 -0.150 0.209 1.00 0.00 C ATOM 678 C LYS A 349 -0.198 0.063 -0.505 1.00 0.00 C ATOM 679 O LYS A 349 0.693 0.720 0.003 1.00 0.00 O ATOM 680 CB LYS A 349 -1.767 -1.636 0.479 1.00 0.00 C ATOM 681 CG LYS A 349 -2.482 -1.807 1.821 1.00 0.00 C ATOM 682 CD LYS A 349 -3.951 -1.410 1.671 1.00 0.00 C ATOM 683 CE LYS A 349 -4.826 -2.664 1.724 1.00 0.00 C ATOM 684 NZ LYS A 349 -6.219 -2.168 1.554 1.00 0.00 N ATOM 0 H LYS A 349 -3.330 -0.475 -0.901 1.00 0.00 H new ATOM 0 HA LYS A 349 -1.498 0.431 1.130 1.00 0.00 H new ATOM 0 HB2 LYS A 349 -2.364 -2.073 -0.321 1.00 0.00 H new ATOM 0 HB3 LYS A 349 -0.815 -2.167 0.492 1.00 0.00 H new ATOM 0 HG2 LYS A 349 -2.406 -2.841 2.156 1.00 0.00 H new ATOM 0 HG3 LYS A 349 -2.003 -1.190 2.581 1.00 0.00 H new ATOM 0 HD2 LYS A 349 -4.236 -0.721 2.466 1.00 0.00 H new ATOM 0 HD3 LYS A 349 -4.103 -0.887 0.727 1.00 0.00 H new ATOM 0 HE2 LYS A 349 -4.558 -3.366 0.935 1.00 0.00 H new ATOM 0 HE3 LYS A 349 -4.707 -3.189 2.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 349 -6.889 -2.914 1.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 349 -6.366 -1.332 2.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 349 -6.377 -1.910 0.559 1.00 0.00 H new ATOM 698 N VAL A 350 -0.049 -0.489 -1.678 1.00 0.00 N ATOM 699 CA VAL A 350 1.230 -0.320 -2.425 1.00 0.00 C ATOM 700 C VAL A 350 1.712 1.128 -2.317 1.00 0.00 C ATOM 701 O VAL A 350 2.797 1.397 -1.842 1.00 0.00 O ATOM 702 CB VAL A 350 0.892 -0.667 -3.875 1.00 0.00 C ATOM 703 CG1 VAL A 350 2.008 -0.166 -4.794 1.00 0.00 C ATOM 704 CG2 VAL A 350 0.762 -2.185 -4.015 1.00 0.00 C ATOM 0 H VAL A 350 -0.757 -1.050 -2.152 1.00 0.00 H new ATOM 0 HA VAL A 350 2.027 -0.952 -2.032 1.00 0.00 H new ATOM 0 HB VAL A 350 -0.048 -0.191 -4.154 1.00 0.00 H new ATOM 0 HG11 VAL A 350 1.767 -0.414 -5.828 1.00 0.00 H new ATOM 0 HG12 VAL A 350 2.105 0.915 -4.693 1.00 0.00 H new ATOM 0 HG13 VAL A 350 2.949 -0.642 -4.517 1.00 0.00 H new ATOM 0 HG21 VAL A 350 0.521 -2.436 -5.048 1.00 0.00 H new ATOM 0 HG22 VAL A 350 1.704 -2.658 -3.737 1.00 0.00 H new ATOM 0 HG23 VAL A 350 -0.032 -2.544 -3.360 1.00 0.00 H new ATOM 714 N TYR A 351 0.912 2.066 -2.747 1.00 0.00 N ATOM 715 CA TYR A 351 1.328 3.494 -2.659 1.00 0.00 C ATOM 716 C TYR A 351 1.811 3.802 -1.240 1.00 0.00 C ATOM 717 O TYR A 351 2.809 4.467 -1.043 1.00 0.00 O ATOM 718 CB TYR A 351 0.069 4.299 -2.986 1.00 0.00 C ATOM 719 CG TYR A 351 -0.440 3.926 -4.362 1.00 0.00 C ATOM 720 CD1 TYR A 351 0.394 3.263 -5.272 1.00 0.00 C ATOM 721 CD2 TYR A 351 -1.753 4.249 -4.727 1.00 0.00 C ATOM 722 CE1 TYR A 351 -0.084 2.924 -6.542 1.00 0.00 C ATOM 723 CE2 TYR A 351 -2.232 3.909 -5.998 1.00 0.00 C ATOM 724 CZ TYR A 351 -1.397 3.248 -6.906 1.00 0.00 C ATOM 725 OH TYR A 351 -1.868 2.914 -8.158 1.00 0.00 O ATOM 0 H TYR A 351 -0.009 1.905 -3.154 1.00 0.00 H new ATOM 0 HA TYR A 351 2.145 3.734 -3.339 1.00 0.00 H new ATOM 0 HB2 TYR A 351 -0.701 4.105 -2.239 1.00 0.00 H new ATOM 0 HB3 TYR A 351 0.289 5.366 -2.947 1.00 0.00 H new ATOM 0 HD1 TYR A 351 1.407 3.013 -4.993 1.00 0.00 H new ATOM 0 HD2 TYR A 351 -2.397 4.761 -4.027 1.00 0.00 H new ATOM 0 HE1 TYR A 351 0.560 2.412 -7.242 1.00 0.00 H new ATOM 0 HE2 TYR A 351 -3.245 4.157 -6.278 1.00 0.00 H new ATOM 0 HH TYR A 351 -2.824 2.706 -8.103 1.00 0.00 H new ATOM 735 N GLU A 352 1.114 3.316 -0.250 1.00 0.00 N ATOM 736 CA GLU A 352 1.537 3.572 1.156 1.00 0.00 C ATOM 737 C GLU A 352 3.041 3.342 1.292 1.00 0.00 C ATOM 738 O GLU A 352 3.741 4.100 1.935 1.00 0.00 O ATOM 739 CB GLU A 352 0.757 2.560 1.996 1.00 0.00 C ATOM 740 CG GLU A 352 0.452 3.164 3.368 1.00 0.00 C ATOM 741 CD GLU A 352 0.825 2.163 4.462 1.00 0.00 C ATOM 742 OE1 GLU A 352 0.081 1.215 4.651 1.00 0.00 O ATOM 743 OE2 GLU A 352 1.851 2.361 5.092 1.00 0.00 O ATOM 0 H GLU A 352 0.270 2.753 -0.354 1.00 0.00 H new ATOM 0 HA GLU A 352 1.339 4.596 1.473 1.00 0.00 H new ATOM 0 HB2 GLU A 352 -0.171 2.290 1.491 1.00 0.00 H new ATOM 0 HB3 GLU A 352 1.336 1.643 2.111 1.00 0.00 H new ATOM 0 HG2 GLU A 352 1.011 4.090 3.502 1.00 0.00 H new ATOM 0 HG3 GLU A 352 -0.606 3.418 3.438 1.00 0.00 H new ATOM 750 N ASN A 353 3.547 2.303 0.686 1.00 0.00 N ATOM 751 CA ASN A 353 5.009 2.026 0.774 1.00 0.00 C ATOM 752 C ASN A 353 5.747 2.756 -0.352 1.00 0.00 C ATOM 753 O ASN A 353 6.957 2.867 -0.347 1.00 0.00 O ATOM 754 CB ASN A 353 5.136 0.512 0.608 1.00 0.00 C ATOM 755 CG ASN A 353 6.093 -0.039 1.667 1.00 0.00 C ATOM 756 OD1 ASN A 353 5.818 0.034 2.848 1.00 0.00 O ATOM 757 ND2 ASN A 353 7.214 -0.590 1.291 1.00 0.00 N ATOM 0 H ASN A 353 3.011 1.634 0.134 1.00 0.00 H new ATOM 0 HA ASN A 353 5.442 2.368 1.714 1.00 0.00 H new ATOM 0 HB2 ASN A 353 4.158 0.041 0.706 1.00 0.00 H new ATOM 0 HB3 ASN A 353 5.505 0.275 -0.390 1.00 0.00 H new ATOM 0 HD21 ASN A 353 7.860 -0.960 1.989 1.00 0.00 H new ATOM 0 HD22 ASN A 353 7.445 -0.651 0.299 1.00 0.00 H new ATOM 764 N TYR A 354 5.024 3.254 -1.318 1.00 0.00 N ATOM 765 CA TYR A 354 5.677 3.977 -2.446 1.00 0.00 C ATOM 766 C TYR A 354 5.042 5.360 -2.623 1.00 0.00 C ATOM 767 O TYR A 354 4.546 5.686 -3.682 1.00 0.00 O ATOM 768 CB TYR A 354 5.422 3.104 -3.674 1.00 0.00 C ATOM 769 CG TYR A 354 6.205 1.819 -3.543 1.00 0.00 C ATOM 770 CD1 TYR A 354 7.558 1.860 -3.189 1.00 0.00 C ATOM 771 CD2 TYR A 354 5.577 0.588 -3.770 1.00 0.00 C ATOM 772 CE1 TYR A 354 8.285 0.671 -3.064 1.00 0.00 C ATOM 773 CE2 TYR A 354 6.305 -0.601 -3.644 1.00 0.00 C ATOM 774 CZ TYR A 354 7.659 -0.560 -3.291 1.00 0.00 C ATOM 775 OH TYR A 354 8.376 -1.732 -3.168 1.00 0.00 O ATOM 0 H TYR A 354 4.008 3.191 -1.375 1.00 0.00 H new ATOM 0 HA TYR A 354 6.742 4.137 -2.276 1.00 0.00 H new ATOM 0 HB2 TYR A 354 4.358 2.887 -3.766 1.00 0.00 H new ATOM 0 HB3 TYR A 354 5.719 3.634 -4.579 1.00 0.00 H new ATOM 0 HD1 TYR A 354 8.041 2.810 -3.012 1.00 0.00 H new ATOM 0 HD2 TYR A 354 4.532 0.556 -4.042 1.00 0.00 H new ATOM 0 HE1 TYR A 354 9.330 0.703 -2.792 1.00 0.00 H new ATOM 0 HE2 TYR A 354 5.822 -1.551 -3.819 1.00 0.00 H new ATOM 0 HH TYR A 354 8.817 -1.756 -2.293 1.00 0.00 H new ATOM 785 N PRO A 355 5.079 6.127 -1.567 1.00 0.00 N ATOM 786 CA PRO A 355 4.501 7.492 -1.593 1.00 0.00 C ATOM 787 C PRO A 355 5.414 8.444 -2.370 1.00 0.00 C ATOM 788 O PRO A 355 4.994 9.103 -3.300 1.00 0.00 O ATOM 789 CB PRO A 355 4.439 7.882 -0.120 1.00 0.00 C ATOM 790 CG PRO A 355 5.492 7.056 0.549 1.00 0.00 C ATOM 791 CD PRO A 355 5.659 5.796 -0.261 1.00 0.00 C ATOM 0 HA PRO A 355 3.528 7.536 -2.083 1.00 0.00 H new ATOM 0 HB2 PRO A 355 4.630 8.947 0.014 1.00 0.00 H new ATOM 0 HB3 PRO A 355 3.454 7.679 0.300 1.00 0.00 H new ATOM 0 HG2 PRO A 355 6.432 7.604 0.604 1.00 0.00 H new ATOM 0 HG3 PRO A 355 5.201 6.819 1.572 1.00 0.00 H new ATOM 0 HD2 PRO A 355 6.709 5.517 -0.351 1.00 0.00 H new ATOM 0 HD3 PRO A 355 5.144 4.954 0.202 1.00 0.00 H new ATOM 799 N THR A 356 6.661 8.523 -1.994 1.00 0.00 N ATOM 800 CA THR A 356 7.600 9.433 -2.709 1.00 0.00 C ATOM 801 C THR A 356 8.060 8.791 -4.021 1.00 0.00 C ATOM 802 O THR A 356 9.239 8.666 -4.283 1.00 0.00 O ATOM 803 CB THR A 356 8.780 9.613 -1.753 1.00 0.00 C ATOM 804 OG1 THR A 356 9.486 8.385 -1.638 1.00 0.00 O ATOM 805 CG2 THR A 356 8.265 10.040 -0.376 1.00 0.00 C ATOM 0 H THR A 356 7.070 7.996 -1.222 1.00 0.00 H new ATOM 0 HA THR A 356 7.138 10.386 -2.968 1.00 0.00 H new ATOM 0 HB THR A 356 9.448 10.382 -2.141 1.00 0.00 H new ATOM 0 HG1 THR A 356 9.842 8.129 -2.515 1.00 0.00 H new ATOM 0 HG21 THR A 356 9.107 10.168 0.304 1.00 0.00 H new ATOM 0 HG22 THR A 356 7.725 10.983 -0.466 1.00 0.00 H new ATOM 0 HG23 THR A 356 7.596 9.274 0.016 1.00 0.00 H new ATOM 813 N TYR A 357 7.136 8.383 -4.849 1.00 0.00 N ATOM 814 CA TYR A 357 7.518 7.748 -6.142 1.00 0.00 C ATOM 815 C TYR A 357 6.420 7.963 -7.187 1.00 0.00 C ATOM 816 O TYR A 357 5.256 8.086 -6.862 1.00 0.00 O ATOM 817 CB TYR A 357 7.658 6.258 -5.827 1.00 0.00 C ATOM 818 CG TYR A 357 8.910 6.024 -5.014 1.00 0.00 C ATOM 819 CD1 TYR A 357 10.138 6.529 -5.456 1.00 0.00 C ATOM 820 CD2 TYR A 357 8.840 5.297 -3.822 1.00 0.00 C ATOM 821 CE1 TYR A 357 11.297 6.306 -4.702 1.00 0.00 C ATOM 822 CE2 TYR A 357 9.998 5.073 -3.068 1.00 0.00 C ATOM 823 CZ TYR A 357 11.227 5.578 -3.508 1.00 0.00 C ATOM 824 OH TYR A 357 12.369 5.357 -2.766 1.00 0.00 O ATOM 0 H TYR A 357 6.132 8.462 -4.685 1.00 0.00 H new ATOM 0 HA TYR A 357 8.436 8.172 -6.549 1.00 0.00 H new ATOM 0 HB2 TYR A 357 6.785 5.910 -5.276 1.00 0.00 H new ATOM 0 HB3 TYR A 357 7.701 5.683 -6.752 1.00 0.00 H new ATOM 0 HD1 TYR A 357 10.192 7.090 -6.377 1.00 0.00 H new ATOM 0 HD2 TYR A 357 7.892 4.908 -3.482 1.00 0.00 H new ATOM 0 HE1 TYR A 357 12.245 6.696 -5.042 1.00 0.00 H new ATOM 0 HE2 TYR A 357 9.943 4.511 -2.147 1.00 0.00 H new ATOM 0 HH TYR A 357 12.144 4.836 -1.967 1.00 0.00 H new ATOM 834 N ASP A 358 6.781 7.997 -8.440 1.00 0.00 N ATOM 835 CA ASP A 358 5.758 8.189 -9.509 1.00 0.00 C ATOM 836 C ASP A 358 5.429 6.840 -10.149 1.00 0.00 C ATOM 837 O ASP A 358 5.526 6.669 -11.349 1.00 0.00 O ATOM 838 CB ASP A 358 6.416 9.120 -10.527 1.00 0.00 C ATOM 839 CG ASP A 358 6.370 10.559 -10.010 1.00 0.00 C ATOM 840 OD1 ASP A 358 5.658 10.800 -9.050 1.00 0.00 O ATOM 841 OD2 ASP A 358 7.048 11.395 -10.584 1.00 0.00 O ATOM 0 H ASP A 358 7.741 7.900 -8.771 1.00 0.00 H new ATOM 0 HA ASP A 358 4.825 8.605 -9.128 1.00 0.00 H new ATOM 0 HB2 ASP A 358 7.449 8.817 -10.698 1.00 0.00 H new ATOM 0 HB3 ASP A 358 5.901 9.050 -11.485 1.00 0.00 H new ATOM 846 N LEU A 359 5.051 5.876 -9.355 1.00 0.00 N ATOM 847 CA LEU A 359 4.729 4.531 -9.910 1.00 0.00 C ATOM 848 C LEU A 359 3.626 4.627 -10.968 1.00 0.00 C ATOM 849 O LEU A 359 2.452 4.653 -10.658 1.00 0.00 O ATOM 850 CB LEU A 359 4.246 3.711 -8.715 1.00 0.00 C ATOM 851 CG LEU A 359 5.280 2.634 -8.382 1.00 0.00 C ATOM 852 CD1 LEU A 359 5.563 1.795 -9.627 1.00 0.00 C ATOM 853 CD2 LEU A 359 6.575 3.298 -7.909 1.00 0.00 C ATOM 0 H LEU A 359 4.951 5.962 -8.344 1.00 0.00 H new ATOM 0 HA LEU A 359 5.593 4.080 -10.398 1.00 0.00 H new ATOM 0 HB2 LEU A 359 4.092 4.361 -7.853 1.00 0.00 H new ATOM 0 HB3 LEU A 359 3.285 3.249 -8.942 1.00 0.00 H new ATOM 0 HG LEU A 359 4.892 1.991 -7.592 1.00 0.00 H new ATOM 0 HD11 LEU A 359 6.300 1.028 -9.389 1.00 0.00 H new ATOM 0 HD12 LEU A 359 4.641 1.321 -9.963 1.00 0.00 H new ATOM 0 HD13 LEU A 359 5.950 2.437 -10.418 1.00 0.00 H new ATOM 0 HD21 LEU A 359 7.312 2.531 -7.672 1.00 0.00 H new ATOM 0 HD22 LEU A 359 6.963 3.942 -8.698 1.00 0.00 H new ATOM 0 HD23 LEU A 359 6.374 3.895 -7.020 1.00 0.00 H new ATOM 865 N THR A 360 3.999 4.660 -12.216 1.00 0.00 N ATOM 866 CA THR A 360 2.980 4.730 -13.302 1.00 0.00 C ATOM 867 C THR A 360 2.974 3.404 -14.064 1.00 0.00 C ATOM 868 O THR A 360 1.990 2.688 -14.091 1.00 0.00 O ATOM 869 CB THR A 360 3.429 5.876 -14.213 1.00 0.00 C ATOM 870 OG1 THR A 360 4.598 6.482 -13.677 1.00 0.00 O ATOM 871 CG2 THR A 360 2.313 6.916 -14.314 1.00 0.00 C ATOM 0 H THR A 360 4.968 4.642 -12.533 1.00 0.00 H new ATOM 0 HA THR A 360 1.972 4.902 -12.924 1.00 0.00 H new ATOM 0 HB THR A 360 3.649 5.484 -15.206 1.00 0.00 H new ATOM 0 HG1 THR A 360 4.459 6.677 -12.727 1.00 0.00 H new ATOM 0 HG21 THR A 360 2.633 7.731 -14.963 1.00 0.00 H new ATOM 0 HG22 THR A 360 1.419 6.451 -14.730 1.00 0.00 H new ATOM 0 HG23 THR A 360 2.090 7.308 -13.322 1.00 0.00 H new ATOM 879 N GLU A 361 4.081 3.061 -14.663 1.00 0.00 N ATOM 880 CA GLU A 361 4.162 1.772 -15.402 1.00 0.00 C ATOM 881 C GLU A 361 4.346 0.634 -14.401 1.00 0.00 C ATOM 882 O GLU A 361 3.615 -0.340 -14.405 1.00 0.00 O ATOM 883 CB GLU A 361 5.388 1.904 -16.307 1.00 0.00 C ATOM 884 CG GLU A 361 4.969 1.718 -17.766 1.00 0.00 C ATOM 885 CD GLU A 361 4.364 3.020 -18.295 1.00 0.00 C ATOM 886 OE1 GLU A 361 4.264 3.960 -17.522 1.00 0.00 O ATOM 887 OE2 GLU A 361 4.011 3.056 -19.462 1.00 0.00 O ATOM 0 H GLU A 361 4.934 3.620 -14.672 1.00 0.00 H new ATOM 0 HA GLU A 361 3.264 1.558 -15.982 1.00 0.00 H new ATOM 0 HB2 GLU A 361 5.849 2.883 -16.172 1.00 0.00 H new ATOM 0 HB3 GLU A 361 6.136 1.159 -16.035 1.00 0.00 H new ATOM 0 HG2 GLU A 361 5.831 1.434 -18.369 1.00 0.00 H new ATOM 0 HG3 GLU A 361 4.243 0.909 -17.846 1.00 0.00 H new ATOM 894 N ARG A 362 5.305 0.759 -13.523 1.00 0.00 N ATOM 895 CA ARG A 362 5.515 -0.304 -12.505 1.00 0.00 C ATOM 896 C ARG A 362 4.237 -0.450 -11.682 1.00 0.00 C ATOM 897 O ARG A 362 3.963 -1.487 -11.112 1.00 0.00 O ATOM 898 CB ARG A 362 6.671 0.193 -11.637 1.00 0.00 C ATOM 899 CG ARG A 362 7.989 -0.387 -12.155 1.00 0.00 C ATOM 900 CD ARG A 362 8.886 0.748 -12.652 1.00 0.00 C ATOM 901 NE ARG A 362 9.054 0.494 -14.109 1.00 0.00 N ATOM 902 CZ ARG A 362 9.762 1.314 -14.837 1.00 0.00 C ATOM 903 NH1 ARG A 362 11.048 1.420 -14.636 1.00 0.00 N ATOM 904 NH2 ARG A 362 9.186 2.027 -15.765 1.00 0.00 N ATOM 0 H ARG A 362 5.948 1.549 -13.469 1.00 0.00 H new ATOM 0 HA ARG A 362 5.744 -1.277 -12.940 1.00 0.00 H new ATOM 0 HB2 ARG A 362 6.710 1.282 -11.654 1.00 0.00 H new ATOM 0 HB3 ARG A 362 6.514 -0.104 -10.600 1.00 0.00 H new ATOM 0 HG2 ARG A 362 8.491 -0.941 -11.362 1.00 0.00 H new ATOM 0 HG3 ARG A 362 7.795 -1.092 -12.963 1.00 0.00 H new ATOM 0 HD2 ARG A 362 8.429 1.721 -12.471 1.00 0.00 H new ATOM 0 HD3 ARG A 362 9.847 0.746 -12.137 1.00 0.00 H new ATOM 0 HE ARG A 362 8.616 -0.321 -14.539 1.00 0.00 H new ATOM 0 HH11 ARG A 362 11.498 0.862 -13.911 1.00 0.00 H new ATOM 0 HH12 ARG A 362 11.602 2.061 -15.205 1.00 0.00 H new ATOM 0 HH21 ARG A 362 8.182 1.944 -15.922 1.00 0.00 H new ATOM 0 HH22 ARG A 362 9.740 2.668 -16.333 1.00 0.00 H new ATOM 918 N LYS A 363 3.441 0.586 -11.635 1.00 0.00 N ATOM 919 CA LYS A 363 2.167 0.512 -10.873 1.00 0.00 C ATOM 920 C LYS A 363 1.226 -0.465 -11.575 1.00 0.00 C ATOM 921 O LYS A 363 0.765 -1.425 -10.991 1.00 0.00 O ATOM 922 CB LYS A 363 1.596 1.930 -10.903 1.00 0.00 C ATOM 923 CG LYS A 363 0.205 1.936 -10.266 1.00 0.00 C ATOM 924 CD LYS A 363 -0.851 2.164 -11.349 1.00 0.00 C ATOM 925 CE LYS A 363 -0.668 3.556 -11.956 1.00 0.00 C ATOM 926 NZ LYS A 363 -2.032 3.972 -12.383 1.00 0.00 N ATOM 0 H LYS A 363 3.621 1.479 -12.093 1.00 0.00 H new ATOM 0 HA LYS A 363 2.304 0.164 -9.849 1.00 0.00 H new ATOM 0 HB2 LYS A 363 2.256 2.610 -10.365 1.00 0.00 H new ATOM 0 HB3 LYS A 363 1.538 2.288 -11.931 1.00 0.00 H new ATOM 0 HG2 LYS A 363 0.022 0.989 -9.758 1.00 0.00 H new ATOM 0 HG3 LYS A 363 0.142 2.720 -9.511 1.00 0.00 H new ATOM 0 HD2 LYS A 363 -0.762 1.403 -12.124 1.00 0.00 H new ATOM 0 HD3 LYS A 363 -1.850 2.070 -10.923 1.00 0.00 H new ATOM 0 HE2 LYS A 363 -0.253 4.253 -11.228 1.00 0.00 H new ATOM 0 HE3 LYS A 363 0.020 3.531 -12.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 363 -1.988 4.919 -12.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 363 -2.399 3.294 -13.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 363 -2.663 3.994 -11.557 1.00 0.00 H new ATOM 940 N ASP A 364 0.956 -0.242 -12.834 1.00 0.00 N ATOM 941 CA ASP A 364 0.067 -1.182 -13.570 1.00 0.00 C ATOM 942 C ASP A 364 0.519 -2.613 -13.278 1.00 0.00 C ATOM 943 O ASP A 364 -0.273 -3.534 -13.233 1.00 0.00 O ATOM 944 CB ASP A 364 0.260 -0.844 -15.048 1.00 0.00 C ATOM 945 CG ASP A 364 -0.528 0.422 -15.390 1.00 0.00 C ATOM 946 OD1 ASP A 364 -1.199 0.935 -14.510 1.00 0.00 O ATOM 947 OD2 ASP A 364 -0.447 0.858 -16.526 1.00 0.00 O ATOM 0 H ASP A 364 1.310 0.544 -13.379 1.00 0.00 H new ATOM 0 HA ASP A 364 -0.980 -1.096 -13.281 1.00 0.00 H new ATOM 0 HB2 ASP A 364 1.318 -0.695 -15.263 1.00 0.00 H new ATOM 0 HB3 ASP A 364 -0.078 -1.674 -15.669 1.00 0.00 H new ATOM 952 N PHE A 365 1.794 -2.796 -13.062 1.00 0.00 N ATOM 953 CA PHE A 365 2.316 -4.155 -12.751 1.00 0.00 C ATOM 954 C PHE A 365 1.832 -4.573 -11.357 1.00 0.00 C ATOM 955 O PHE A 365 1.222 -5.609 -11.184 1.00 0.00 O ATOM 956 CB PHE A 365 3.845 -4.002 -12.803 1.00 0.00 C ATOM 957 CG PHE A 365 4.510 -4.916 -11.796 1.00 0.00 C ATOM 958 CD1 PHE A 365 4.476 -6.302 -11.977 1.00 0.00 C ATOM 959 CD2 PHE A 365 5.160 -4.370 -10.682 1.00 0.00 C ATOM 960 CE1 PHE A 365 5.092 -7.145 -11.044 1.00 0.00 C ATOM 961 CE2 PHE A 365 5.777 -5.211 -9.749 1.00 0.00 C ATOM 962 CZ PHE A 365 5.742 -6.599 -9.931 1.00 0.00 C ATOM 0 H PHE A 365 2.498 -2.058 -13.088 1.00 0.00 H new ATOM 0 HA PHE A 365 1.975 -4.924 -13.444 1.00 0.00 H new ATOM 0 HB2 PHE A 365 4.205 -4.235 -13.805 1.00 0.00 H new ATOM 0 HB3 PHE A 365 4.119 -2.967 -12.598 1.00 0.00 H new ATOM 0 HD1 PHE A 365 3.975 -6.722 -12.836 1.00 0.00 H new ATOM 0 HD2 PHE A 365 5.185 -3.299 -10.543 1.00 0.00 H new ATOM 0 HE1 PHE A 365 5.066 -8.216 -11.183 1.00 0.00 H new ATOM 0 HE2 PHE A 365 6.279 -4.790 -8.890 1.00 0.00 H new ATOM 0 HZ PHE A 365 6.217 -7.249 -9.211 1.00 0.00 H new ATOM 972 N ILE A 366 2.093 -3.766 -10.364 1.00 0.00 N ATOM 973 CA ILE A 366 1.640 -4.109 -8.987 1.00 0.00 C ATOM 974 C ILE A 366 0.200 -4.626 -9.037 1.00 0.00 C ATOM 975 O ILE A 366 -0.068 -5.785 -8.794 1.00 0.00 O ATOM 976 CB ILE A 366 1.717 -2.793 -8.208 1.00 0.00 C ATOM 977 CG1 ILE A 366 3.168 -2.521 -7.804 1.00 0.00 C ATOM 978 CG2 ILE A 366 0.851 -2.887 -6.949 1.00 0.00 C ATOM 979 CD1 ILE A 366 3.427 -1.013 -7.802 1.00 0.00 C ATOM 0 H ILE A 366 2.600 -2.885 -10.448 1.00 0.00 H new ATOM 0 HA ILE A 366 2.247 -4.887 -8.523 1.00 0.00 H new ATOM 0 HB ILE A 366 1.354 -1.981 -8.839 1.00 0.00 H new ATOM 0 HG12 ILE A 366 3.364 -2.935 -6.815 1.00 0.00 H new ATOM 0 HG13 ILE A 366 3.848 -3.016 -8.497 1.00 0.00 H new ATOM 0 HG21 ILE A 366 0.908 -1.949 -6.397 1.00 0.00 H new ATOM 0 HG22 ILE A 366 -0.184 -3.079 -7.233 1.00 0.00 H new ATOM 0 HG23 ILE A 366 1.211 -3.701 -6.320 1.00 0.00 H new ATOM 0 HD11 ILE A 366 4.461 -0.822 -7.514 1.00 0.00 H new ATOM 0 HD12 ILE A 366 3.248 -0.612 -8.800 1.00 0.00 H new ATOM 0 HD13 ILE A 366 2.757 -0.530 -7.091 1.00 0.00 H new ATOM 991 N LYS A 367 -0.729 -3.769 -9.360 1.00 0.00 N ATOM 992 CA LYS A 367 -2.153 -4.201 -9.437 1.00 0.00 C ATOM 993 C LYS A 367 -2.260 -5.528 -10.191 1.00 0.00 C ATOM 994 O LYS A 367 -2.973 -6.427 -9.790 1.00 0.00 O ATOM 995 CB LYS A 367 -2.856 -3.084 -10.208 1.00 0.00 C ATOM 996 CG LYS A 367 -4.263 -3.538 -10.604 1.00 0.00 C ATOM 997 CD LYS A 367 -4.415 -3.458 -12.124 1.00 0.00 C ATOM 998 CE LYS A 367 -3.610 -4.583 -12.778 1.00 0.00 C ATOM 999 NZ LYS A 367 -4.289 -4.832 -14.081 1.00 0.00 N ATOM 0 H LYS A 367 -0.563 -2.786 -9.574 1.00 0.00 H new ATOM 0 HA LYS A 367 -2.596 -4.360 -8.454 1.00 0.00 H new ATOM 0 HB2 LYS A 367 -2.913 -2.185 -9.594 1.00 0.00 H new ATOM 0 HB3 LYS A 367 -2.282 -2.826 -11.098 1.00 0.00 H new ATOM 0 HG2 LYS A 367 -4.437 -4.559 -10.264 1.00 0.00 H new ATOM 0 HG3 LYS A 367 -5.010 -2.909 -10.119 1.00 0.00 H new ATOM 0 HD2 LYS A 367 -5.466 -3.541 -12.400 1.00 0.00 H new ATOM 0 HD3 LYS A 367 -4.066 -2.490 -12.484 1.00 0.00 H new ATOM 0 HE2 LYS A 367 -2.570 -4.292 -12.924 1.00 0.00 H new ATOM 0 HE3 LYS A 367 -3.606 -5.479 -12.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 367 -3.607 -5.230 -14.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 367 -5.071 -5.503 -13.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 367 -4.664 -3.936 -14.454 1.00 0.00 H new ATOM 1013 N THR A 368 -1.560 -5.655 -11.284 1.00 0.00 N ATOM 1014 CA THR A 368 -1.624 -6.921 -12.069 1.00 0.00 C ATOM 1015 C THR A 368 -0.980 -8.073 -11.290 1.00 0.00 C ATOM 1016 O THR A 368 -1.333 -9.222 -11.464 1.00 0.00 O ATOM 1017 CB THR A 368 -0.838 -6.632 -13.349 1.00 0.00 C ATOM 1018 OG1 THR A 368 -1.528 -5.654 -14.115 1.00 0.00 O ATOM 1019 CG2 THR A 368 -0.697 -7.917 -14.166 1.00 0.00 C ATOM 0 H THR A 368 -0.946 -4.937 -11.668 1.00 0.00 H new ATOM 0 HA THR A 368 -2.651 -7.222 -12.277 1.00 0.00 H new ATOM 0 HB THR A 368 0.153 -6.259 -13.091 1.00 0.00 H new ATOM 0 HG1 THR A 368 -1.007 -4.824 -14.131 1.00 0.00 H new ATOM 0 HG21 THR A 368 -0.137 -7.709 -15.078 1.00 0.00 H new ATOM 0 HG22 THR A 368 -0.167 -8.666 -13.577 1.00 0.00 H new ATOM 0 HG23 THR A 368 -1.686 -8.293 -14.426 1.00 0.00 H new ATOM 1027 N THR A 369 -0.037 -7.781 -10.433 1.00 0.00 N ATOM 1028 CA THR A 369 0.619 -8.873 -9.655 1.00 0.00 C ATOM 1029 C THR A 369 -0.411 -9.568 -8.757 1.00 0.00 C ATOM 1030 O THR A 369 -0.418 -10.775 -8.622 1.00 0.00 O ATOM 1031 CB THR A 369 1.724 -8.177 -8.835 1.00 0.00 C ATOM 1032 OG1 THR A 369 2.883 -8.998 -8.824 1.00 0.00 O ATOM 1033 CG2 THR A 369 1.270 -7.928 -7.390 1.00 0.00 C ATOM 0 H THR A 369 0.306 -6.840 -10.239 1.00 0.00 H new ATOM 0 HA THR A 369 1.040 -9.651 -10.291 1.00 0.00 H new ATOM 0 HB THR A 369 1.942 -7.215 -9.298 1.00 0.00 H new ATOM 0 HG1 THR A 369 3.570 -8.601 -9.399 1.00 0.00 H new ATOM 0 HG21 THR A 369 2.070 -7.436 -6.837 1.00 0.00 H new ATOM 0 HG22 THR A 369 0.385 -7.291 -7.391 1.00 0.00 H new ATOM 0 HG23 THR A 369 1.032 -8.879 -6.914 1.00 0.00 H new ATOM 1041 N VAL A 370 -1.282 -8.814 -8.147 1.00 0.00 N ATOM 1042 CA VAL A 370 -2.310 -9.432 -7.264 1.00 0.00 C ATOM 1043 C VAL A 370 -3.469 -9.969 -8.108 1.00 0.00 C ATOM 1044 O VAL A 370 -3.913 -11.085 -7.931 1.00 0.00 O ATOM 1045 CB VAL A 370 -2.783 -8.300 -6.357 1.00 0.00 C ATOM 1046 CG1 VAL A 370 -3.806 -8.840 -5.356 1.00 0.00 C ATOM 1047 CG2 VAL A 370 -1.585 -7.721 -5.601 1.00 0.00 C ATOM 0 H VAL A 370 -1.327 -7.798 -8.221 1.00 0.00 H new ATOM 0 HA VAL A 370 -1.917 -10.272 -6.691 1.00 0.00 H new ATOM 0 HB VAL A 370 -3.245 -7.519 -6.961 1.00 0.00 H new ATOM 0 HG11 VAL A 370 -4.143 -8.031 -4.708 1.00 0.00 H new ATOM 0 HG12 VAL A 370 -4.659 -9.253 -5.894 1.00 0.00 H new ATOM 0 HG13 VAL A 370 -3.346 -9.621 -4.751 1.00 0.00 H new ATOM 0 HG21 VAL A 370 -1.921 -6.912 -4.952 1.00 0.00 H new ATOM 0 HG22 VAL A 370 -1.123 -8.502 -4.997 1.00 0.00 H new ATOM 0 HG23 VAL A 370 -0.856 -7.336 -6.314 1.00 0.00 H new ATOM 1057 N LYS A 371 -3.957 -9.183 -9.028 1.00 0.00 N ATOM 1058 CA LYS A 371 -5.084 -9.650 -9.885 1.00 0.00 C ATOM 1059 C LYS A 371 -4.721 -10.982 -10.547 1.00 0.00 C ATOM 1060 O LYS A 371 -5.568 -11.824 -10.776 1.00 0.00 O ATOM 1061 CB LYS A 371 -5.256 -8.554 -10.937 1.00 0.00 C ATOM 1062 CG LYS A 371 -6.615 -8.713 -11.623 1.00 0.00 C ATOM 1063 CD LYS A 371 -6.552 -8.100 -13.024 1.00 0.00 C ATOM 1064 CE LYS A 371 -5.757 -9.024 -13.950 1.00 0.00 C ATOM 1065 NZ LYS A 371 -5.448 -8.194 -15.148 1.00 0.00 N ATOM 0 H LYS A 371 -3.625 -8.239 -9.223 1.00 0.00 H new ATOM 0 HA LYS A 371 -6.000 -9.817 -9.318 1.00 0.00 H new ATOM 0 HB2 LYS A 371 -5.186 -7.572 -10.469 1.00 0.00 H new ATOM 0 HB3 LYS A 371 -4.455 -8.614 -11.674 1.00 0.00 H new ATOM 0 HG2 LYS A 371 -6.881 -9.768 -11.687 1.00 0.00 H new ATOM 0 HG3 LYS A 371 -7.391 -8.224 -11.035 1.00 0.00 H new ATOM 0 HD2 LYS A 371 -7.559 -7.955 -13.415 1.00 0.00 H new ATOM 0 HD3 LYS A 371 -6.082 -7.118 -12.982 1.00 0.00 H new ATOM 0 HE2 LYS A 371 -4.845 -9.377 -13.468 1.00 0.00 H new ATOM 0 HE3 LYS A 371 -6.337 -9.907 -14.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 371 -4.903 -8.759 -15.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 371 -6.335 -7.878 -15.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 371 -4.890 -7.365 -14.861 1.00 0.00 H new ATOM 1079 N GLU A 372 -3.468 -11.183 -10.850 1.00 0.00 N ATOM 1080 CA GLU A 372 -3.052 -12.464 -11.490 1.00 0.00 C ATOM 1081 C GLU A 372 -2.871 -13.537 -10.418 1.00 0.00 C ATOM 1082 O GLU A 372 -3.039 -14.714 -10.665 1.00 0.00 O ATOM 1083 CB GLU A 372 -1.721 -12.156 -12.176 1.00 0.00 C ATOM 1084 CG GLU A 372 -1.971 -11.820 -13.648 1.00 0.00 C ATOM 1085 CD GLU A 372 -0.657 -11.919 -14.425 1.00 0.00 C ATOM 1086 OE1 GLU A 372 -0.093 -13.001 -14.462 1.00 0.00 O ATOM 1087 OE2 GLU A 372 -0.237 -10.912 -14.971 1.00 0.00 O ATOM 0 H GLU A 372 -2.714 -10.516 -10.682 1.00 0.00 H new ATOM 0 HA GLU A 372 -3.791 -12.836 -12.200 1.00 0.00 H new ATOM 0 HB2 GLU A 372 -1.229 -11.320 -11.680 1.00 0.00 H new ATOM 0 HB3 GLU A 372 -1.052 -13.013 -12.096 1.00 0.00 H new ATOM 0 HG2 GLU A 372 -2.707 -12.505 -14.068 1.00 0.00 H new ATOM 0 HG3 GLU A 372 -2.384 -10.815 -13.738 1.00 0.00 H new ATOM 1094 N LEU A 373 -2.541 -13.135 -9.223 1.00 0.00 N ATOM 1095 CA LEU A 373 -2.364 -14.121 -8.127 1.00 0.00 C ATOM 1096 C LEU A 373 -3.744 -14.559 -7.633 1.00 0.00 C ATOM 1097 O LEU A 373 -3.904 -15.610 -7.045 1.00 0.00 O ATOM 1098 CB LEU A 373 -1.581 -13.360 -7.045 1.00 0.00 C ATOM 1099 CG LEU A 373 -2.041 -13.783 -5.646 1.00 0.00 C ATOM 1100 CD1 LEU A 373 -0.900 -13.575 -4.649 1.00 0.00 C ATOM 1101 CD2 LEU A 373 -3.242 -12.930 -5.233 1.00 0.00 C ATOM 0 H LEU A 373 -2.386 -12.162 -8.959 1.00 0.00 H new ATOM 0 HA LEU A 373 -1.834 -15.025 -8.426 1.00 0.00 H new ATOM 0 HB2 LEU A 373 -0.514 -13.554 -7.157 1.00 0.00 H new ATOM 0 HB3 LEU A 373 -1.725 -12.287 -7.172 1.00 0.00 H new ATOM 0 HG LEU A 373 -2.325 -14.835 -5.656 1.00 0.00 H new ATOM 0 HD11 LEU A 373 -1.227 -13.876 -3.654 1.00 0.00 H new ATOM 0 HD12 LEU A 373 -0.042 -14.178 -4.947 1.00 0.00 H new ATOM 0 HD13 LEU A 373 -0.616 -12.523 -4.635 1.00 0.00 H new ATOM 0 HD21 LEU A 373 -3.574 -13.227 -4.238 1.00 0.00 H new ATOM 0 HD22 LEU A 373 -2.955 -11.879 -5.221 1.00 0.00 H new ATOM 0 HD23 LEU A 373 -4.054 -13.076 -5.945 1.00 0.00 H new ATOM 1113 N ILE A 374 -4.743 -13.756 -7.878 1.00 0.00 N ATOM 1114 CA ILE A 374 -6.114 -14.119 -7.435 1.00 0.00 C ATOM 1115 C ILE A 374 -6.789 -14.987 -8.498 1.00 0.00 C ATOM 1116 O ILE A 374 -7.662 -15.781 -8.206 1.00 0.00 O ATOM 1117 CB ILE A 374 -6.850 -12.789 -7.277 1.00 0.00 C ATOM 1118 CG1 ILE A 374 -6.234 -12.001 -6.118 1.00 0.00 C ATOM 1119 CG2 ILE A 374 -8.327 -13.055 -6.983 1.00 0.00 C ATOM 1120 CD1 ILE A 374 -7.145 -10.827 -5.756 1.00 0.00 C ATOM 0 H ILE A 374 -4.666 -12.864 -8.366 1.00 0.00 H new ATOM 0 HA ILE A 374 -6.114 -14.690 -6.506 1.00 0.00 H new ATOM 0 HB ILE A 374 -6.761 -12.213 -8.198 1.00 0.00 H new ATOM 0 HG12 ILE A 374 -6.100 -12.651 -5.253 1.00 0.00 H new ATOM 0 HG13 ILE A 374 -5.246 -11.635 -6.398 1.00 0.00 H new ATOM 0 HG21 ILE A 374 -8.852 -12.106 -6.870 1.00 0.00 H new ATOM 0 HG22 ILE A 374 -8.766 -13.617 -7.807 1.00 0.00 H new ATOM 0 HG23 ILE A 374 -8.417 -13.631 -6.062 1.00 0.00 H new ATOM 0 HD11 ILE A 374 -6.706 -10.267 -4.931 1.00 0.00 H new ATOM 0 HD12 ILE A 374 -7.256 -10.173 -6.621 1.00 0.00 H new ATOM 0 HD13 ILE A 374 -8.123 -11.204 -5.458 1.00 0.00 H new ATOM 1132 N SER A 375 -6.388 -14.843 -9.732 1.00 0.00 N ATOM 1133 CA SER A 375 -7.002 -15.656 -10.818 1.00 0.00 C ATOM 1134 C SER A 375 -6.155 -16.902 -11.089 1.00 0.00 C ATOM 1135 O SER A 375 -6.660 -17.935 -11.482 1.00 0.00 O ATOM 1136 CB SER A 375 -7.016 -14.740 -12.041 1.00 0.00 C ATOM 1137 OG SER A 375 -7.694 -15.391 -13.107 1.00 0.00 O ATOM 0 H SER A 375 -5.660 -14.196 -10.034 1.00 0.00 H new ATOM 0 HA SER A 375 -8.002 -16.003 -10.559 1.00 0.00 H new ATOM 0 HB2 SER A 375 -7.512 -13.800 -11.800 1.00 0.00 H new ATOM 0 HB3 SER A 375 -5.996 -14.496 -12.339 1.00 0.00 H new ATOM 0 HG SER A 375 -7.706 -14.806 -13.893 1.00 0.00 H new ATOM 1143 N LEU A 376 -4.868 -16.815 -10.884 1.00 0.00 N ATOM 1144 CA LEU A 376 -3.992 -17.996 -11.134 1.00 0.00 C ATOM 1145 C LEU A 376 -3.434 -18.541 -9.816 1.00 0.00 C ATOM 1146 O LEU A 376 -2.604 -19.427 -9.802 1.00 0.00 O ATOM 1147 CB LEU A 376 -2.861 -17.468 -12.018 1.00 0.00 C ATOM 1148 CG LEU A 376 -2.799 -18.285 -13.309 1.00 0.00 C ATOM 1149 CD1 LEU A 376 -2.184 -17.436 -14.423 1.00 0.00 C ATOM 1150 CD2 LEU A 376 -1.936 -19.527 -13.082 1.00 0.00 C ATOM 0 H LEU A 376 -4.386 -15.979 -10.555 1.00 0.00 H new ATOM 0 HA LEU A 376 -4.534 -18.815 -11.606 1.00 0.00 H new ATOM 0 HB2 LEU A 376 -3.026 -16.416 -12.249 1.00 0.00 H new ATOM 0 HB3 LEU A 376 -1.911 -17.533 -11.488 1.00 0.00 H new ATOM 0 HG LEU A 376 -3.806 -18.587 -13.597 1.00 0.00 H new ATOM 0 HD11 LEU A 376 -2.140 -18.019 -15.343 1.00 0.00 H new ATOM 0 HD12 LEU A 376 -2.796 -16.549 -14.585 1.00 0.00 H new ATOM 0 HD13 LEU A 376 -1.177 -17.134 -14.136 1.00 0.00 H new ATOM 0 HD21 LEU A 376 -1.890 -20.111 -14.001 1.00 0.00 H new ATOM 0 HD22 LEU A 376 -0.929 -19.223 -12.795 1.00 0.00 H new ATOM 0 HD23 LEU A 376 -2.372 -20.133 -12.288 1.00 0.00 H new ATOM 1162 N GLU A 377 -3.885 -18.020 -8.708 1.00 0.00 N ATOM 1163 CA GLU A 377 -3.380 -18.512 -7.394 1.00 0.00 C ATOM 1164 C GLU A 377 -4.316 -18.064 -6.269 1.00 0.00 C ATOM 1165 O GLU A 377 -3.892 -17.808 -5.159 1.00 0.00 O ATOM 1166 CB GLU A 377 -1.999 -17.874 -7.233 1.00 0.00 C ATOM 1167 CG GLU A 377 -0.920 -18.904 -7.571 1.00 0.00 C ATOM 1168 CD GLU A 377 0.373 -18.547 -6.838 1.00 0.00 C ATOM 1169 OE1 GLU A 377 0.923 -17.496 -7.124 1.00 0.00 O ATOM 1170 OE2 GLU A 377 0.793 -19.330 -6.002 1.00 0.00 O ATOM 0 H GLU A 377 -4.581 -17.276 -8.655 1.00 0.00 H new ATOM 0 HA GLU A 377 -3.330 -19.600 -7.351 1.00 0.00 H new ATOM 0 HB2 GLU A 377 -1.908 -17.008 -7.888 1.00 0.00 H new ATOM 0 HB3 GLU A 377 -1.868 -17.516 -6.212 1.00 0.00 H new ATOM 0 HG2 GLU A 377 -1.251 -19.901 -7.282 1.00 0.00 H new ATOM 0 HG3 GLU A 377 -0.747 -18.925 -8.647 1.00 0.00 H new ATOM 1177 N HIS A 378 -5.586 -17.968 -6.548 1.00 0.00 N ATOM 1178 CA HIS A 378 -6.551 -17.539 -5.496 1.00 0.00 C ATOM 1179 C HIS A 378 -6.237 -18.241 -4.173 1.00 0.00 C ATOM 1180 O HIS A 378 -6.245 -17.571 -3.152 1.00 0.00 O ATOM 1181 CB HIS A 378 -7.924 -17.966 -6.018 1.00 0.00 C ATOM 1182 CG HIS A 378 -7.856 -19.384 -6.516 1.00 0.00 C ATOM 1183 ND1 HIS A 378 -7.438 -19.917 -7.710 1.00 0.00 N flip ATOM 1184 CD2 HIS A 378 -8.256 -20.462 -5.741 1.00 0.00 C flip ATOM 1185 CE1 HIS A 378 -7.575 -21.301 -7.681 1.00 0.00 C flip ATOM 1186 NE2 HIS A 378 -8.072 -21.577 -6.472 1.00 0.00 N flip ATOM 1187 OXT HIS A 378 -5.995 -19.436 -4.201 1.00 0.00 O ATOM 0 H HIS A 378 -5.998 -18.168 -7.459 1.00 0.00 H new ATOM 0 HA HIS A 378 -6.504 -16.467 -5.305 1.00 0.00 H new ATOM 0 HB2 HIS A 378 -8.667 -17.884 -5.225 1.00 0.00 H new ATOM 0 HB3 HIS A 378 -8.241 -17.302 -6.822 1.00 0.00 H new ATOM 0 HD2 HIS A 378 -8.644 -20.415 -4.734 1.00 0.00 H new ATOM 0 HE1 HIS A 378 -7.332 -22.001 -8.466 1.00 0.00 H new ATOM 0 HE2 HIS A 378 -8.286 -22.518 -6.143 1.00 0.00 H new