USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=19 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 347 CYS SG : rot 180:sc= 0.00407 USER MOD Set 1.2: A 351 TYR OH : rot 96:sc= -3.04 USER MOD Set 2.1: A 328 THR OG1 : rot -166:sc= 1.81! USER MOD Set 2.2: A 354 TYR OH : rot 161:sc= 0.292! USER MOD Single : A 321 THR OG1 : rot 180:sc= 0.162 USER MOD Single : A 326 LYS NZ :NH3+ -115:sc= -0.0385 (180deg=-0.367) USER MOD Single : A 330 LYS NZ :NH3+ -144:sc= -0.0774 (180deg=-0.731) USER MOD Single : A 331 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.0146 USER MOD Single : A 343 MET CE :methyl -147:sc= 0 (180deg=-0.019) USER MOD Single : A 344 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 345 GLN : amide:sc= -0.476 X(o=-0.48,f=-0.83) 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 353 ASN :FLIP amide:sc= -2.08 F(o=-3.8!,f=-2.1) USER MOD Single : A 356 THR OG1 : rot -105:sc= 0.1 USER MOD Single : A 357 TYR OH : rot 180:sc= 0 USER MOD Single : A 360 THR OG1 : rot -65:sc= 0.871 USER MOD Single : A 363 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 367 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 368 THR OG1 : rot 120:sc= 1.29 USER MOD Single : A 369 THR OG1 : rot 180:sc= 0 USER MOD Single : A 371 LYS NZ :NH3+ -116:sc= -0.0315 (180deg=-1.13) USER MOD Single : A 375 SER OG : rot 180:sc= 0.0246 USER MOD Single : A 378 HIS :FLIP no HD1:sc= -9.05! C(o=-11!,f=-9.1!) USER MOD ----------------------------------------------------------------- ATOM 203 N PRO A 320 11.740 1.744 -7.033 1.00 0.00 N ATOM 204 CA PRO A 320 12.275 0.496 -6.436 1.00 0.00 C ATOM 205 C PRO A 320 12.377 -0.601 -7.498 1.00 0.00 C ATOM 206 O PRO A 320 11.481 -0.789 -8.297 1.00 0.00 O ATOM 207 CB PRO A 320 11.237 0.132 -5.379 1.00 0.00 C ATOM 208 CG PRO A 320 9.969 0.775 -5.844 1.00 0.00 C ATOM 209 CD PRO A 320 10.358 2.007 -6.620 1.00 0.00 C ATOM 0 HA PRO A 320 13.276 0.613 -6.021 1.00 0.00 H new ATOM 0 HB2 PRO A 320 11.123 -0.949 -5.293 1.00 0.00 H new ATOM 0 HB3 PRO A 320 11.529 0.501 -4.396 1.00 0.00 H new ATOM 0 HG2 PRO A 320 9.396 0.090 -6.469 1.00 0.00 H new ATOM 0 HG3 PRO A 320 9.336 1.037 -4.996 1.00 0.00 H new ATOM 0 HD2 PRO A 320 9.706 2.159 -7.480 1.00 0.00 H new ATOM 0 HD3 PRO A 320 10.289 2.904 -6.005 1.00 0.00 H new ATOM 217 N THR A 321 13.460 -1.327 -7.512 1.00 0.00 N ATOM 218 CA THR A 321 13.612 -2.412 -8.524 1.00 0.00 C ATOM 219 C THR A 321 12.384 -3.324 -8.499 1.00 0.00 C ATOM 220 O THR A 321 11.788 -3.547 -7.464 1.00 0.00 O ATOM 221 CB THR A 321 14.864 -3.187 -8.101 1.00 0.00 C ATOM 222 OG1 THR A 321 15.334 -2.694 -6.853 1.00 0.00 O ATOM 223 CG2 THR A 321 15.953 -3.016 -9.160 1.00 0.00 C ATOM 0 H THR A 321 14.244 -1.217 -6.869 1.00 0.00 H new ATOM 0 HA THR A 321 13.703 -2.021 -9.537 1.00 0.00 H new ATOM 0 HB THR A 321 14.617 -4.244 -8.001 1.00 0.00 H new ATOM 0 HG1 THR A 321 16.134 -3.193 -6.584 1.00 0.00 H new ATOM 0 HG21 THR A 321 16.844 -3.568 -8.859 1.00 0.00 H new ATOM 0 HG22 THR A 321 15.595 -3.399 -10.115 1.00 0.00 H new ATOM 0 HG23 THR A 321 16.198 -1.959 -9.262 1.00 0.00 H new ATOM 231 N ASP A 322 11.997 -3.851 -9.628 1.00 0.00 N ATOM 232 CA ASP A 322 10.806 -4.747 -9.658 1.00 0.00 C ATOM 233 C ASP A 322 10.850 -5.719 -8.477 1.00 0.00 C ATOM 234 O ASP A 322 9.833 -6.078 -7.917 1.00 0.00 O ATOM 235 CB ASP A 322 10.909 -5.504 -10.982 1.00 0.00 C ATOM 236 CG ASP A 322 10.876 -4.510 -12.145 1.00 0.00 C ATOM 237 OD1 ASP A 322 11.050 -3.329 -11.893 1.00 0.00 O ATOM 238 OD2 ASP A 322 10.680 -4.948 -13.267 1.00 0.00 O ATOM 0 H ASP A 322 12.452 -3.701 -10.528 1.00 0.00 H new ATOM 0 HA ASP A 322 9.870 -4.194 -9.580 1.00 0.00 H new ATOM 0 HB2 ASP A 322 11.832 -6.083 -11.011 1.00 0.00 H new ATOM 0 HB3 ASP A 322 10.086 -6.213 -11.072 1.00 0.00 H new ATOM 243 N GLU A 323 12.022 -6.146 -8.092 1.00 0.00 N ATOM 244 CA GLU A 323 12.132 -7.091 -6.944 1.00 0.00 C ATOM 245 C GLU A 323 11.537 -6.456 -5.685 1.00 0.00 C ATOM 246 O GLU A 323 10.720 -7.047 -5.005 1.00 0.00 O ATOM 247 CB GLU A 323 13.632 -7.329 -6.769 1.00 0.00 C ATOM 248 CG GLU A 323 13.857 -8.612 -5.968 1.00 0.00 C ATOM 249 CD GLU A 323 15.358 -8.832 -5.768 1.00 0.00 C ATOM 250 OE1 GLU A 323 16.098 -8.626 -6.717 1.00 0.00 O ATOM 251 OE2 GLU A 323 15.742 -9.202 -4.671 1.00 0.00 O ATOM 0 H GLU A 323 12.908 -5.881 -8.523 1.00 0.00 H new ATOM 0 HA GLU A 323 11.592 -8.021 -7.118 1.00 0.00 H new ATOM 0 HB2 GLU A 323 14.114 -7.407 -7.743 1.00 0.00 H new ATOM 0 HB3 GLU A 323 14.087 -6.483 -6.255 1.00 0.00 H new ATOM 0 HG2 GLU A 323 13.357 -8.543 -5.002 1.00 0.00 H new ATOM 0 HG3 GLU A 323 13.421 -9.462 -6.493 1.00 0.00 H new ATOM 258 N GLU A 324 11.935 -5.252 -5.374 1.00 0.00 N ATOM 259 CA GLU A 324 11.388 -4.577 -4.163 1.00 0.00 C ATOM 260 C GLU A 324 9.887 -4.331 -4.341 1.00 0.00 C ATOM 261 O GLU A 324 9.143 -4.247 -3.385 1.00 0.00 O ATOM 262 CB GLU A 324 12.146 -3.253 -4.075 1.00 0.00 C ATOM 263 CG GLU A 324 11.769 -2.529 -2.781 1.00 0.00 C ATOM 264 CD GLU A 324 12.958 -2.551 -1.817 1.00 0.00 C ATOM 265 OE1 GLU A 324 13.877 -3.317 -2.060 1.00 0.00 O ATOM 266 OE2 GLU A 324 12.929 -1.804 -0.854 1.00 0.00 O ATOM 0 H GLU A 324 12.614 -4.708 -5.906 1.00 0.00 H new ATOM 0 HA GLU A 324 11.510 -5.173 -3.259 1.00 0.00 H new ATOM 0 HB2 GLU A 324 13.220 -3.435 -4.102 1.00 0.00 H new ATOM 0 HB3 GLU A 324 11.907 -2.628 -4.936 1.00 0.00 H new ATOM 0 HG2 GLU A 324 11.482 -1.500 -2.998 1.00 0.00 H new ATOM 0 HG3 GLU A 324 10.906 -3.010 -2.321 1.00 0.00 H new ATOM 273 N LEU A 325 9.441 -4.222 -5.563 1.00 0.00 N ATOM 274 CA LEU A 325 7.990 -3.988 -5.812 1.00 0.00 C ATOM 275 C LEU A 325 7.188 -5.245 -5.462 1.00 0.00 C ATOM 276 O LEU A 325 6.353 -5.236 -4.580 1.00 0.00 O ATOM 277 CB LEU A 325 7.891 -3.690 -7.308 1.00 0.00 C ATOM 278 CG LEU A 325 7.723 -2.185 -7.522 1.00 0.00 C ATOM 279 CD1 LEU A 325 7.532 -1.902 -9.013 1.00 0.00 C ATOM 280 CD2 LEU A 325 6.496 -1.694 -6.750 1.00 0.00 C ATOM 0 H LEU A 325 10.020 -4.285 -6.401 1.00 0.00 H new ATOM 0 HA LEU A 325 7.590 -3.175 -5.206 1.00 0.00 H new ATOM 0 HB2 LEU A 325 8.787 -4.042 -7.819 1.00 0.00 H new ATOM 0 HB3 LEU A 325 7.046 -4.225 -7.740 1.00 0.00 H new ATOM 0 HG LEU A 325 8.611 -1.665 -7.163 1.00 0.00 H new ATOM 0 HD11 LEU A 325 7.412 -0.830 -9.167 1.00 0.00 H new ATOM 0 HD12 LEU A 325 8.404 -2.253 -9.565 1.00 0.00 H new ATOM 0 HD13 LEU A 325 6.643 -2.422 -9.371 1.00 0.00 H new ATOM 0 HD21 LEU A 325 6.376 -0.621 -6.902 1.00 0.00 H new ATOM 0 HD22 LEU A 325 5.608 -2.213 -7.110 1.00 0.00 H new ATOM 0 HD23 LEU A 325 6.629 -1.897 -5.687 1.00 0.00 H new ATOM 292 N LYS A 326 7.438 -6.327 -6.150 1.00 0.00 N ATOM 293 CA LYS A 326 6.693 -7.584 -5.860 1.00 0.00 C ATOM 294 C LYS A 326 6.634 -7.833 -4.351 1.00 0.00 C ATOM 295 O LYS A 326 5.580 -8.056 -3.789 1.00 0.00 O ATOM 296 CB LYS A 326 7.494 -8.689 -6.550 1.00 0.00 C ATOM 297 CG LYS A 326 6.891 -10.051 -6.204 1.00 0.00 C ATOM 298 CD LYS A 326 6.394 -10.730 -7.482 1.00 0.00 C ATOM 299 CE LYS A 326 6.447 -12.249 -7.308 1.00 0.00 C ATOM 300 NZ LYS A 326 7.885 -12.602 -7.464 1.00 0.00 N ATOM 0 H LYS A 326 8.126 -6.394 -6.900 1.00 0.00 H new ATOM 0 HA LYS A 326 5.663 -7.541 -6.215 1.00 0.00 H new ATOM 0 HB2 LYS A 326 7.484 -8.539 -7.630 1.00 0.00 H new ATOM 0 HB3 LYS A 326 8.536 -8.650 -6.232 1.00 0.00 H new ATOM 0 HG2 LYS A 326 7.637 -10.677 -5.714 1.00 0.00 H new ATOM 0 HG3 LYS A 326 6.067 -9.928 -5.501 1.00 0.00 H new ATOM 0 HD2 LYS A 326 5.374 -10.414 -7.701 1.00 0.00 H new ATOM 0 HD3 LYS A 326 7.010 -10.429 -8.329 1.00 0.00 H new ATOM 0 HE2 LYS A 326 6.071 -12.548 -6.330 1.00 0.00 H new ATOM 0 HE3 LYS A 326 5.833 -12.754 -8.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 326 8.008 -13.188 -8.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 326 8.448 -11.732 -7.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 326 8.205 -13.132 -6.629 1.00 0.00 H new ATOM 314 N GLU A 327 7.760 -7.803 -3.692 1.00 0.00 N ATOM 315 CA GLU A 327 7.769 -8.043 -2.219 1.00 0.00 C ATOM 316 C GLU A 327 6.736 -7.149 -1.526 1.00 0.00 C ATOM 317 O GLU A 327 5.856 -7.623 -0.836 1.00 0.00 O ATOM 318 CB GLU A 327 9.183 -7.679 -1.767 1.00 0.00 C ATOM 319 CG GLU A 327 9.443 -8.266 -0.378 1.00 0.00 C ATOM 320 CD GLU A 327 10.208 -9.583 -0.513 1.00 0.00 C ATOM 321 OE1 GLU A 327 11.411 -9.529 -0.703 1.00 0.00 O ATOM 322 OE2 GLU A 327 9.577 -10.624 -0.426 1.00 0.00 O ATOM 0 H GLU A 327 8.674 -7.623 -4.108 1.00 0.00 H new ATOM 0 HA GLU A 327 7.513 -9.072 -1.969 1.00 0.00 H new ATOM 0 HB2 GLU A 327 9.914 -8.064 -2.478 1.00 0.00 H new ATOM 0 HB3 GLU A 327 9.301 -6.596 -1.743 1.00 0.00 H new ATOM 0 HG2 GLU A 327 10.016 -7.561 0.224 1.00 0.00 H new ATOM 0 HG3 GLU A 327 8.499 -8.434 0.140 1.00 0.00 H new ATOM 329 N THR A 328 6.839 -5.859 -1.700 1.00 0.00 N ATOM 330 CA THR A 328 5.865 -4.937 -1.047 1.00 0.00 C ATOM 331 C THR A 328 4.436 -5.458 -1.221 1.00 0.00 C ATOM 332 O THR A 328 3.684 -5.563 -0.272 1.00 0.00 O ATOM 333 CB THR A 328 6.043 -3.602 -1.770 1.00 0.00 C ATOM 334 OG1 THR A 328 7.368 -3.130 -1.567 1.00 0.00 O ATOM 335 CG2 THR A 328 5.046 -2.583 -1.218 1.00 0.00 C ATOM 0 H THR A 328 7.555 -5.404 -2.266 1.00 0.00 H new ATOM 0 HA THR A 328 6.037 -4.848 0.026 1.00 0.00 H new ATOM 0 HB THR A 328 5.864 -3.739 -2.836 1.00 0.00 H new ATOM 0 HG1 THR A 328 7.423 -2.188 -1.830 1.00 0.00 H new ATOM 0 HG21 THR A 328 5.174 -1.632 -1.735 1.00 0.00 H new ATOM 0 HG22 THR A 328 4.030 -2.946 -1.374 1.00 0.00 H new ATOM 0 HG23 THR A 328 5.222 -2.443 -0.151 1.00 0.00 H new ATOM 343 N ILE A 329 4.052 -5.785 -2.426 1.00 0.00 N ATOM 344 CA ILE A 329 2.671 -6.299 -2.654 1.00 0.00 C ATOM 345 C ILE A 329 2.469 -7.620 -1.908 1.00 0.00 C ATOM 346 O ILE A 329 1.518 -7.790 -1.173 1.00 0.00 O ATOM 347 CB ILE A 329 2.573 -6.515 -4.162 1.00 0.00 C ATOM 348 CG1 ILE A 329 2.659 -5.164 -4.875 1.00 0.00 C ATOM 349 CG2 ILE A 329 1.237 -7.180 -4.495 1.00 0.00 C ATOM 350 CD1 ILE A 329 3.546 -5.297 -6.113 1.00 0.00 C ATOM 0 H ILE A 329 4.634 -5.718 -3.261 1.00 0.00 H new ATOM 0 HA ILE A 329 1.909 -5.610 -2.291 1.00 0.00 H new ATOM 0 HB ILE A 329 3.391 -7.155 -4.492 1.00 0.00 H new ATOM 0 HG12 ILE A 329 1.663 -4.828 -5.163 1.00 0.00 H new ATOM 0 HG13 ILE A 329 3.067 -4.410 -4.201 1.00 0.00 H new ATOM 0 HG21 ILE A 329 1.166 -7.335 -5.572 1.00 0.00 H new ATOM 0 HG22 ILE A 329 1.172 -8.141 -3.985 1.00 0.00 H new ATOM 0 HG23 ILE A 329 0.419 -6.539 -4.166 1.00 0.00 H new ATOM 0 HD11 ILE A 329 3.608 -4.335 -6.621 1.00 0.00 H new ATOM 0 HD12 ILE A 329 4.545 -5.613 -5.813 1.00 0.00 H new ATOM 0 HD13 ILE A 329 3.119 -6.038 -6.789 1.00 0.00 H new ATOM 362 N LYS A 330 3.361 -8.556 -2.089 1.00 0.00 N ATOM 363 CA LYS A 330 3.220 -9.863 -1.387 1.00 0.00 C ATOM 364 C LYS A 330 2.980 -9.630 0.109 1.00 0.00 C ATOM 365 O LYS A 330 2.400 -10.451 0.790 1.00 0.00 O ATOM 366 CB LYS A 330 4.553 -10.580 -1.619 1.00 0.00 C ATOM 367 CG LYS A 330 4.729 -11.695 -0.584 1.00 0.00 C ATOM 368 CD LYS A 330 5.340 -11.111 0.692 1.00 0.00 C ATOM 369 CE LYS A 330 6.701 -11.761 0.952 1.00 0.00 C ATOM 370 NZ LYS A 330 6.396 -13.193 1.224 1.00 0.00 N ATOM 0 H LYS A 330 4.180 -8.472 -2.692 1.00 0.00 H new ATOM 0 HA LYS A 330 2.377 -10.448 -1.755 1.00 0.00 H new ATOM 0 HB2 LYS A 330 4.581 -10.998 -2.625 1.00 0.00 H new ATOM 0 HB3 LYS A 330 5.376 -9.869 -1.545 1.00 0.00 H new ATOM 0 HG2 LYS A 330 3.766 -12.156 -0.362 1.00 0.00 H new ATOM 0 HG3 LYS A 330 5.373 -12.479 -0.983 1.00 0.00 H new ATOM 0 HD2 LYS A 330 5.454 -10.032 0.592 1.00 0.00 H new ATOM 0 HD3 LYS A 330 4.675 -11.284 1.538 1.00 0.00 H new ATOM 0 HE2 LYS A 330 7.361 -11.654 0.091 1.00 0.00 H new ATOM 0 HE3 LYS A 330 7.205 -11.297 1.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 330 7.047 -13.555 1.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 330 5.416 -13.281 1.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 330 6.511 -13.745 0.350 1.00 0.00 H new ATOM 384 N LYS A 331 3.421 -8.513 0.621 1.00 0.00 N ATOM 385 CA LYS A 331 3.216 -8.226 2.071 1.00 0.00 C ATOM 386 C LYS A 331 1.781 -7.752 2.312 1.00 0.00 C ATOM 387 O LYS A 331 0.973 -8.456 2.884 1.00 0.00 O ATOM 388 CB LYS A 331 4.211 -7.112 2.398 1.00 0.00 C ATOM 389 CG LYS A 331 4.828 -7.366 3.775 1.00 0.00 C ATOM 390 CD LYS A 331 5.959 -8.387 3.649 1.00 0.00 C ATOM 391 CE LYS A 331 5.528 -9.708 4.289 1.00 0.00 C ATOM 392 NZ LYS A 331 6.587 -10.015 5.289 1.00 0.00 N ATOM 0 H LYS A 331 3.913 -7.788 0.100 1.00 0.00 H new ATOM 0 HA LYS A 331 3.372 -9.106 2.695 1.00 0.00 H new ATOM 0 HB2 LYS A 331 4.993 -7.074 1.639 1.00 0.00 H new ATOM 0 HB3 LYS A 331 3.708 -6.145 2.386 1.00 0.00 H new ATOM 0 HG2 LYS A 331 5.210 -6.434 4.191 1.00 0.00 H new ATOM 0 HG3 LYS A 331 4.067 -7.734 4.463 1.00 0.00 H new ATOM 0 HD2 LYS A 331 6.207 -8.543 2.599 1.00 0.00 H new ATOM 0 HD3 LYS A 331 6.859 -8.011 4.136 1.00 0.00 H new ATOM 0 HE2 LYS A 331 4.551 -9.616 4.764 1.00 0.00 H new ATOM 0 HE3 LYS A 331 5.447 -10.500 3.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 331 6.361 -10.909 5.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 331 7.504 -10.103 4.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 331 6.636 -9.248 5.989 1.00 0.00 H new ATOM 406 N LEU A 332 1.459 -6.565 1.878 1.00 0.00 N ATOM 407 CA LEU A 332 0.075 -6.047 2.078 1.00 0.00 C ATOM 408 C LEU A 332 -0.948 -7.105 1.655 1.00 0.00 C ATOM 409 O LEU A 332 -1.940 -7.321 2.322 1.00 0.00 O ATOM 410 CB LEU A 332 -0.022 -4.814 1.177 1.00 0.00 C ATOM 411 CG LEU A 332 0.449 -5.164 -0.237 1.00 0.00 C ATOM 412 CD1 LEU A 332 -0.748 -5.606 -1.079 1.00 0.00 C ATOM 413 CD2 LEU A 332 1.092 -3.933 -0.876 1.00 0.00 C ATOM 0 H LEU A 332 2.094 -5.931 1.393 1.00 0.00 H new ATOM 0 HA LEU A 332 -0.130 -5.804 3.121 1.00 0.00 H new ATOM 0 HB2 LEU A 332 -1.050 -4.454 1.148 1.00 0.00 H new ATOM 0 HB3 LEU A 332 0.587 -4.007 1.583 1.00 0.00 H new ATOM 0 HG LEU A 332 1.177 -5.973 -0.188 1.00 0.00 H new ATOM 0 HD11 LEU A 332 -0.413 -5.855 -2.086 1.00 0.00 H new ATOM 0 HD12 LEU A 332 -1.210 -6.482 -0.623 1.00 0.00 H new ATOM 0 HD13 LEU A 332 -1.476 -4.797 -1.129 1.00 0.00 H new ATOM 0 HD21 LEU A 332 1.428 -4.180 -1.883 1.00 0.00 H new ATOM 0 HD22 LEU A 332 0.362 -3.125 -0.925 1.00 0.00 H new ATOM 0 HD23 LEU A 332 1.945 -3.615 -0.276 1.00 0.00 H new ATOM 425 N LEU A 333 -0.712 -7.766 0.556 1.00 0.00 N ATOM 426 CA LEU A 333 -1.671 -8.811 0.095 1.00 0.00 C ATOM 427 C LEU A 333 -1.783 -9.918 1.145 1.00 0.00 C ATOM 428 O LEU A 333 -2.845 -10.458 1.383 1.00 0.00 O ATOM 429 CB LEU A 333 -1.072 -9.360 -1.201 1.00 0.00 C ATOM 430 CG LEU A 333 -1.808 -10.639 -1.602 1.00 0.00 C ATOM 431 CD1 LEU A 333 -3.216 -10.287 -2.087 1.00 0.00 C ATOM 432 CD2 LEU A 333 -1.041 -11.336 -2.729 1.00 0.00 C ATOM 0 H LEU A 333 0.102 -7.629 -0.043 1.00 0.00 H new ATOM 0 HA LEU A 333 -2.674 -8.413 -0.060 1.00 0.00 H new ATOM 0 HB2 LEU A 333 -1.153 -8.617 -1.995 1.00 0.00 H new ATOM 0 HB3 LEU A 333 -0.010 -9.566 -1.065 1.00 0.00 H new ATOM 0 HG LEU A 333 -1.876 -11.304 -0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 333 -3.741 -11.199 -2.373 1.00 0.00 H new ATOM 0 HD12 LEU A 333 -3.763 -9.789 -1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 333 -3.149 -9.622 -2.948 1.00 0.00 H new ATOM 0 HD21 LEU A 333 -1.565 -12.248 -3.016 1.00 0.00 H new ATOM 0 HD22 LEU A 333 -0.974 -10.670 -3.589 1.00 0.00 H new ATOM 0 HD23 LEU A 333 -0.037 -11.587 -2.385 1.00 0.00 H new ATOM 444 N ALA A 334 -0.694 -10.259 1.778 1.00 0.00 N ATOM 445 CA ALA A 334 -0.737 -11.330 2.814 1.00 0.00 C ATOM 446 C ALA A 334 -1.588 -10.876 4.003 1.00 0.00 C ATOM 447 O ALA A 334 -1.943 -11.660 4.861 1.00 0.00 O ATOM 448 CB ALA A 334 0.718 -11.528 3.239 1.00 0.00 C ATOM 0 H ALA A 334 0.224 -9.842 1.623 1.00 0.00 H new ATOM 0 HA ALA A 334 -1.180 -12.253 2.439 1.00 0.00 H new ATOM 0 HB1 ALA A 334 0.772 -12.304 4.003 1.00 0.00 H new ATOM 0 HB2 ALA A 334 1.312 -11.828 2.375 1.00 0.00 H new ATOM 0 HB3 ALA A 334 1.110 -10.594 3.642 1.00 0.00 H new ATOM 454 N SER A 335 -1.917 -9.615 4.057 1.00 0.00 N ATOM 455 CA SER A 335 -2.747 -9.109 5.188 1.00 0.00 C ATOM 456 C SER A 335 -4.232 -9.337 4.892 1.00 0.00 C ATOM 457 O SER A 335 -5.094 -8.937 5.649 1.00 0.00 O ATOM 458 CB SER A 335 -2.439 -7.614 5.265 1.00 0.00 C ATOM 459 OG SER A 335 -1.041 -7.413 5.100 1.00 0.00 O ATOM 0 H SER A 335 -1.648 -8.913 3.368 1.00 0.00 H new ATOM 0 HA SER A 335 -2.527 -9.619 6.126 1.00 0.00 H new ATOM 0 HB2 SER A 335 -2.989 -7.077 4.492 1.00 0.00 H new ATOM 0 HB3 SER A 335 -2.765 -7.213 6.225 1.00 0.00 H new ATOM 0 HG SER A 335 -0.840 -6.455 5.147 1.00 0.00 H new ATOM 465 N ALA A 336 -4.536 -9.976 3.795 1.00 0.00 N ATOM 466 CA ALA A 336 -5.965 -10.228 3.451 1.00 0.00 C ATOM 467 C ALA A 336 -6.094 -11.502 2.612 1.00 0.00 C ATOM 468 O ALA A 336 -5.112 -12.107 2.228 1.00 0.00 O ATOM 469 CB ALA A 336 -6.398 -9.009 2.638 1.00 0.00 C ATOM 0 H ALA A 336 -3.858 -10.334 3.123 1.00 0.00 H new ATOM 0 HA ALA A 336 -6.582 -10.369 4.338 1.00 0.00 H new ATOM 0 HB1 ALA A 336 -7.442 -9.119 2.346 1.00 0.00 H new ATOM 0 HB2 ALA A 336 -6.283 -8.109 3.242 1.00 0.00 H new ATOM 0 HB3 ALA A 336 -5.778 -8.928 1.745 1.00 0.00 H new ATOM 475 N ASN A 337 -7.299 -11.913 2.324 1.00 0.00 N ATOM 476 CA ASN A 337 -7.493 -13.146 1.509 1.00 0.00 C ATOM 477 C ASN A 337 -7.325 -12.827 0.020 1.00 0.00 C ATOM 478 O ASN A 337 -8.068 -12.051 -0.546 1.00 0.00 O ATOM 479 CB ASN A 337 -8.926 -13.591 1.803 1.00 0.00 C ATOM 480 CG ASN A 337 -8.931 -14.538 3.004 1.00 0.00 C ATOM 481 OD1 ASN A 337 -8.776 -14.111 4.131 1.00 0.00 O ATOM 482 ND2 ASN A 337 -9.104 -15.817 2.809 1.00 0.00 N ATOM 0 H ASN A 337 -8.158 -11.448 2.618 1.00 0.00 H new ATOM 0 HA ASN A 337 -6.766 -13.921 1.752 1.00 0.00 H new ATOM 0 HB2 ASN A 337 -9.552 -12.723 2.008 1.00 0.00 H new ATOM 0 HB3 ASN A 337 -9.349 -14.090 0.931 1.00 0.00 H new ATOM 0 HD21 ASN A 337 -9.109 -16.458 3.603 1.00 0.00 H new ATOM 0 HD22 ASN A 337 -9.234 -16.176 1.863 1.00 0.00 H new ATOM 489 N LEU A 338 -6.353 -13.421 -0.617 1.00 0.00 N ATOM 490 CA LEU A 338 -6.137 -13.151 -2.068 1.00 0.00 C ATOM 491 C LEU A 338 -7.463 -13.249 -2.828 1.00 0.00 C ATOM 492 O LEU A 338 -7.818 -12.372 -3.591 1.00 0.00 O ATOM 493 CB LEU A 338 -5.170 -14.239 -2.533 1.00 0.00 C ATOM 494 CG LEU A 338 -3.731 -13.796 -2.257 1.00 0.00 C ATOM 495 CD1 LEU A 338 -3.548 -13.557 -0.757 1.00 0.00 C ATOM 496 CD2 LEU A 338 -2.765 -14.888 -2.721 1.00 0.00 C ATOM 0 H LEU A 338 -5.699 -14.081 -0.196 1.00 0.00 H new ATOM 0 HA LEU A 338 -5.742 -12.151 -2.248 1.00 0.00 H new ATOM 0 HB2 LEU A 338 -5.380 -15.174 -2.013 1.00 0.00 H new ATOM 0 HB3 LEU A 338 -5.305 -14.430 -3.598 1.00 0.00 H new ATOM 0 HG LEU A 338 -3.525 -12.873 -2.799 1.00 0.00 H new ATOM 0 HD11 LEU A 338 -2.523 -13.242 -0.561 1.00 0.00 H new ATOM 0 HD12 LEU A 338 -4.236 -12.780 -0.426 1.00 0.00 H new ATOM 0 HD13 LEU A 338 -3.754 -14.479 -0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 338 -1.740 -14.574 -2.525 1.00 0.00 H new ATOM 0 HD22 LEU A 338 -2.972 -15.811 -2.179 1.00 0.00 H new ATOM 0 HD23 LEU A 338 -2.894 -15.058 -3.790 1.00 0.00 H new ATOM 508 N GLU A 339 -8.198 -14.309 -2.626 1.00 0.00 N ATOM 509 CA GLU A 339 -9.500 -14.459 -3.341 1.00 0.00 C ATOM 510 C GLU A 339 -10.465 -13.350 -2.916 1.00 0.00 C ATOM 511 O GLU A 339 -11.491 -13.137 -3.529 1.00 0.00 O ATOM 512 CB GLU A 339 -10.033 -15.827 -2.913 1.00 0.00 C ATOM 513 CG GLU A 339 -11.278 -16.169 -3.736 1.00 0.00 C ATOM 514 CD GLU A 339 -10.938 -17.262 -4.750 1.00 0.00 C ATOM 515 OE1 GLU A 339 -10.887 -18.415 -4.354 1.00 0.00 O ATOM 516 OE2 GLU A 339 -10.733 -16.928 -5.906 1.00 0.00 O ATOM 0 H GLU A 339 -7.955 -15.076 -1.999 1.00 0.00 H new ATOM 0 HA GLU A 339 -9.388 -14.387 -4.423 1.00 0.00 H new ATOM 0 HB2 GLU A 339 -9.267 -16.589 -3.058 1.00 0.00 H new ATOM 0 HB3 GLU A 339 -10.277 -15.818 -1.851 1.00 0.00 H new ATOM 0 HG2 GLU A 339 -12.080 -16.505 -3.079 1.00 0.00 H new ATOM 0 HG3 GLU A 339 -11.641 -15.280 -4.252 1.00 0.00 H new ATOM 523 N GLU A 340 -10.142 -12.641 -1.868 1.00 0.00 N ATOM 524 CA GLU A 340 -11.042 -11.545 -1.405 1.00 0.00 C ATOM 525 C GLU A 340 -10.316 -10.198 -1.481 1.00 0.00 C ATOM 526 O GLU A 340 -10.683 -9.247 -0.821 1.00 0.00 O ATOM 527 CB GLU A 340 -11.376 -11.893 0.046 1.00 0.00 C ATOM 528 CG GLU A 340 -12.423 -10.912 0.577 1.00 0.00 C ATOM 529 CD GLU A 340 -13.689 -11.676 0.970 1.00 0.00 C ATOM 530 OE1 GLU A 340 -14.197 -12.409 0.136 1.00 0.00 O ATOM 531 OE2 GLU A 340 -14.128 -11.516 2.095 1.00 0.00 O ATOM 0 H GLU A 340 -9.296 -12.773 -1.313 1.00 0.00 H new ATOM 0 HA GLU A 340 -11.938 -11.458 -2.020 1.00 0.00 H new ATOM 0 HB2 GLU A 340 -11.753 -12.914 0.109 1.00 0.00 H new ATOM 0 HB3 GLU A 340 -10.476 -11.848 0.659 1.00 0.00 H new ATOM 0 HG2 GLU A 340 -12.028 -10.374 1.439 1.00 0.00 H new ATOM 0 HG3 GLU A 340 -12.657 -10.167 -0.184 1.00 0.00 H new ATOM 538 N VAL A 341 -9.290 -10.111 -2.281 1.00 0.00 N ATOM 539 CA VAL A 341 -8.542 -8.826 -2.399 1.00 0.00 C ATOM 540 C VAL A 341 -8.803 -8.186 -3.765 1.00 0.00 C ATOM 541 O VAL A 341 -8.640 -8.811 -4.795 1.00 0.00 O ATOM 542 CB VAL A 341 -7.069 -9.209 -2.257 1.00 0.00 C ATOM 543 CG1 VAL A 341 -6.192 -8.002 -2.591 1.00 0.00 C ATOM 544 CG2 VAL A 341 -6.797 -9.654 -0.818 1.00 0.00 C ATOM 0 H VAL A 341 -8.936 -10.874 -2.859 1.00 0.00 H new ATOM 0 HA VAL A 341 -8.847 -8.100 -1.645 1.00 0.00 H new ATOM 0 HB VAL A 341 -6.838 -10.025 -2.942 1.00 0.00 H new ATOM 0 HG11 VAL A 341 -5.142 -8.276 -2.489 1.00 0.00 H new ATOM 0 HG12 VAL A 341 -6.386 -7.683 -3.615 1.00 0.00 H new ATOM 0 HG13 VAL A 341 -6.422 -7.185 -1.907 1.00 0.00 H new ATOM 0 HG21 VAL A 341 -5.747 -9.928 -0.714 1.00 0.00 H new ATOM 0 HG22 VAL A 341 -7.028 -8.837 -0.135 1.00 0.00 H new ATOM 0 HG23 VAL A 341 -7.422 -10.515 -0.579 1.00 0.00 H new ATOM 554 N THR A 342 -9.209 -6.946 -3.783 1.00 0.00 N ATOM 555 CA THR A 342 -9.484 -6.268 -5.083 1.00 0.00 C ATOM 556 C THR A 342 -8.384 -5.248 -5.393 1.00 0.00 C ATOM 557 O THR A 342 -7.669 -4.805 -4.516 1.00 0.00 O ATOM 558 CB THR A 342 -10.829 -5.566 -4.885 1.00 0.00 C ATOM 559 OG1 THR A 342 -11.078 -4.708 -5.989 1.00 0.00 O ATOM 560 CG2 THR A 342 -10.796 -4.746 -3.594 1.00 0.00 C ATOM 0 H THR A 342 -9.362 -6.372 -2.954 1.00 0.00 H new ATOM 0 HA THR A 342 -9.508 -6.969 -5.918 1.00 0.00 H new ATOM 0 HB THR A 342 -11.622 -6.311 -4.816 1.00 0.00 H new ATOM 0 HG1 THR A 342 -11.940 -4.258 -5.866 1.00 0.00 H new ATOM 0 HG21 THR A 342 -11.755 -4.247 -3.455 1.00 0.00 H new ATOM 0 HG22 THR A 342 -10.605 -5.406 -2.748 1.00 0.00 H new ATOM 0 HG23 THR A 342 -10.004 -3.999 -3.657 1.00 0.00 H new ATOM 568 N MET A 343 -8.245 -4.871 -6.636 1.00 0.00 N ATOM 569 CA MET A 343 -7.192 -3.880 -7.002 1.00 0.00 C ATOM 570 C MET A 343 -7.152 -2.748 -5.972 1.00 0.00 C ATOM 571 O MET A 343 -6.102 -2.376 -5.484 1.00 0.00 O ATOM 572 CB MET A 343 -7.611 -3.345 -8.373 1.00 0.00 C ATOM 573 CG MET A 343 -6.759 -2.126 -8.734 1.00 0.00 C ATOM 574 SD MET A 343 -7.549 -1.217 -10.085 1.00 0.00 S ATOM 575 CE MET A 343 -8.671 -0.224 -9.070 1.00 0.00 C ATOM 0 H MET A 343 -8.815 -5.206 -7.413 1.00 0.00 H new ATOM 0 HA MET A 343 -6.196 -4.323 -7.025 1.00 0.00 H new ATOM 0 HB2 MET A 343 -7.491 -4.121 -9.129 1.00 0.00 H new ATOM 0 HB3 MET A 343 -8.666 -3.072 -8.361 1.00 0.00 H new ATOM 0 HG2 MET A 343 -6.644 -1.479 -7.864 1.00 0.00 H new ATOM 0 HG3 MET A 343 -5.759 -2.443 -9.030 1.00 0.00 H new ATOM 0 HE1 MET A 343 -9.597 -0.048 -9.617 1.00 0.00 H new ATOM 0 HE2 MET A 343 -8.892 -0.756 -8.145 1.00 0.00 H new ATOM 0 HE3 MET A 343 -8.201 0.731 -8.836 1.00 0.00 H new ATOM 585 N LYS A 344 -8.287 -2.199 -5.636 1.00 0.00 N ATOM 586 CA LYS A 344 -8.313 -1.092 -4.637 1.00 0.00 C ATOM 587 C LYS A 344 -7.379 -1.412 -3.468 1.00 0.00 C ATOM 588 O LYS A 344 -6.464 -0.670 -3.169 1.00 0.00 O ATOM 589 CB LYS A 344 -9.765 -1.024 -4.159 1.00 0.00 C ATOM 590 CG LYS A 344 -9.967 0.234 -3.313 1.00 0.00 C ATOM 591 CD LYS A 344 -9.591 -0.060 -1.860 1.00 0.00 C ATOM 592 CE LYS A 344 -10.161 1.033 -0.952 1.00 0.00 C ATOM 593 NZ LYS A 344 -11.461 0.490 -0.465 1.00 0.00 N ATOM 0 H LYS A 344 -9.197 -2.468 -6.009 1.00 0.00 H new ATOM 0 HA LYS A 344 -7.978 -0.145 -5.061 1.00 0.00 H new ATOM 0 HB2 LYS A 344 -10.440 -1.012 -5.015 1.00 0.00 H new ATOM 0 HB3 LYS A 344 -10.008 -1.911 -3.574 1.00 0.00 H new ATOM 0 HG2 LYS A 344 -9.354 1.048 -3.701 1.00 0.00 H new ATOM 0 HG3 LYS A 344 -11.005 0.561 -3.372 1.00 0.00 H new ATOM 0 HD2 LYS A 344 -9.980 -1.034 -1.563 1.00 0.00 H new ATOM 0 HD3 LYS A 344 -8.507 -0.105 -1.756 1.00 0.00 H new ATOM 0 HE2 LYS A 344 -9.487 1.248 -0.122 1.00 0.00 H new ATOM 0 HE3 LYS A 344 -10.302 1.966 -1.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 344 -11.913 1.184 0.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 344 -12.084 0.301 -1.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 344 -11.294 -0.394 0.057 1.00 0.00 H new ATOM 607 N GLN A 345 -7.604 -2.512 -2.804 1.00 0.00 N ATOM 608 CA GLN A 345 -6.732 -2.881 -1.653 1.00 0.00 C ATOM 609 C GLN A 345 -5.264 -2.923 -2.086 1.00 0.00 C ATOM 610 O GLN A 345 -4.369 -2.674 -1.302 1.00 0.00 O ATOM 611 CB GLN A 345 -7.205 -4.273 -1.232 1.00 0.00 C ATOM 612 CG GLN A 345 -7.559 -4.265 0.256 1.00 0.00 C ATOM 613 CD GLN A 345 -8.559 -3.141 0.537 1.00 0.00 C ATOM 614 OE1 GLN A 345 -8.204 -2.120 1.093 1.00 0.00 O ATOM 615 NE2 GLN A 345 -9.804 -3.286 0.172 1.00 0.00 N ATOM 0 H GLN A 345 -8.354 -3.172 -3.009 1.00 0.00 H new ATOM 0 HA GLN A 345 -6.799 -2.160 -0.838 1.00 0.00 H new ATOM 0 HB2 GLN A 345 -8.073 -4.567 -1.821 1.00 0.00 H new ATOM 0 HB3 GLN A 345 -6.424 -5.008 -1.427 1.00 0.00 H new ATOM 0 HG2 GLN A 345 -7.985 -5.226 0.544 1.00 0.00 H new ATOM 0 HG3 GLN A 345 -6.659 -4.123 0.854 1.00 0.00 H new ATOM 0 HE21 GLN A 345 -10.102 -4.143 -0.295 1.00 0.00 H new ATOM 0 HE22 GLN A 345 -10.479 -2.543 0.353 1.00 0.00 H new ATOM 624 N ILE A 346 -5.009 -3.236 -3.326 1.00 0.00 N ATOM 625 CA ILE A 346 -3.597 -3.293 -3.804 1.00 0.00 C ATOM 626 C ILE A 346 -3.065 -1.880 -4.054 1.00 0.00 C ATOM 627 O ILE A 346 -2.185 -1.405 -3.364 1.00 0.00 O ATOM 628 CB ILE A 346 -3.656 -4.083 -5.111 1.00 0.00 C ATOM 629 CG1 ILE A 346 -4.280 -5.456 -4.850 1.00 0.00 C ATOM 630 CG2 ILE A 346 -2.241 -4.264 -5.663 1.00 0.00 C ATOM 631 CD1 ILE A 346 -3.617 -6.094 -3.628 1.00 0.00 C ATOM 0 H ILE A 346 -5.715 -3.455 -4.029 1.00 0.00 H new ATOM 0 HA ILE A 346 -2.932 -3.757 -3.076 1.00 0.00 H new ATOM 0 HB ILE A 346 -4.262 -3.540 -5.836 1.00 0.00 H new ATOM 0 HG12 ILE A 346 -5.352 -5.354 -4.683 1.00 0.00 H new ATOM 0 HG13 ILE A 346 -4.152 -6.097 -5.722 1.00 0.00 H new ATOM 0 HG21 ILE A 346 -2.283 -4.827 -6.595 1.00 0.00 H new ATOM 0 HG22 ILE A 346 -1.795 -3.287 -5.850 1.00 0.00 H new ATOM 0 HG23 ILE A 346 -1.634 -4.807 -4.938 1.00 0.00 H new ATOM 0 HD11 ILE A 346 -4.061 -7.072 -3.442 1.00 0.00 H new ATOM 0 HD12 ILE A 346 -2.549 -6.210 -3.812 1.00 0.00 H new ATOM 0 HD13 ILE A 346 -3.768 -5.456 -2.757 1.00 0.00 H new ATOM 643 N CYS A 347 -3.591 -1.208 -5.040 1.00 0.00 N ATOM 644 CA CYS A 347 -3.119 0.173 -5.342 1.00 0.00 C ATOM 645 C CYS A 347 -2.972 0.986 -4.052 1.00 0.00 C ATOM 646 O CYS A 347 -2.118 1.845 -3.944 1.00 0.00 O ATOM 647 CB CYS A 347 -4.210 0.773 -6.229 1.00 0.00 C ATOM 648 SG CYS A 347 -3.942 0.261 -7.945 1.00 0.00 S ATOM 0 H CYS A 347 -4.329 -1.556 -5.651 1.00 0.00 H new ATOM 0 HA CYS A 347 -2.143 0.177 -5.827 1.00 0.00 H new ATOM 0 HB2 CYS A 347 -5.192 0.444 -5.889 1.00 0.00 H new ATOM 0 HB3 CYS A 347 -4.196 1.860 -6.156 1.00 0.00 H new ATOM 0 HG CYS A 347 -4.871 0.769 -8.700 1.00 0.00 H new ATOM 654 N LYS A 348 -3.796 0.726 -3.075 1.00 0.00 N ATOM 655 CA LYS A 348 -3.702 1.491 -1.797 1.00 0.00 C ATOM 656 C LYS A 348 -2.452 1.074 -1.016 1.00 0.00 C ATOM 657 O LYS A 348 -1.506 1.826 -0.895 1.00 0.00 O ATOM 658 CB LYS A 348 -4.968 1.128 -1.021 1.00 0.00 C ATOM 659 CG LYS A 348 -6.069 2.143 -1.335 1.00 0.00 C ATOM 660 CD LYS A 348 -6.192 2.314 -2.851 1.00 0.00 C ATOM 661 CE LYS A 348 -7.097 3.507 -3.161 1.00 0.00 C ATOM 662 NZ LYS A 348 -6.558 4.080 -4.425 1.00 0.00 N ATOM 0 H LYS A 348 -4.530 0.018 -3.105 1.00 0.00 H new ATOM 0 HA LYS A 348 -3.623 2.565 -1.966 1.00 0.00 H new ATOM 0 HB2 LYS A 348 -5.297 0.124 -1.290 1.00 0.00 H new ATOM 0 HB3 LYS A 348 -4.761 1.119 0.049 1.00 0.00 H new ATOM 0 HG2 LYS A 348 -7.018 1.806 -0.919 1.00 0.00 H new ATOM 0 HG3 LYS A 348 -5.839 3.101 -0.868 1.00 0.00 H new ATOM 0 HD2 LYS A 348 -5.207 2.468 -3.291 1.00 0.00 H new ATOM 0 HD3 LYS A 348 -6.602 1.408 -3.297 1.00 0.00 H new ATOM 0 HE2 LYS A 348 -8.135 3.195 -3.280 1.00 0.00 H new ATOM 0 HE3 LYS A 348 -7.075 4.240 -2.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 348 -7.128 4.904 -4.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 348 -5.571 4.374 -4.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 348 -6.598 3.362 -5.176 1.00 0.00 H new ATOM 676 N LYS A 349 -2.440 -0.118 -0.485 1.00 0.00 N ATOM 677 CA LYS A 349 -1.249 -0.574 0.286 1.00 0.00 C ATOM 678 C LYS A 349 0.025 -0.336 -0.526 1.00 0.00 C ATOM 679 O LYS A 349 1.003 0.188 -0.030 1.00 0.00 O ATOM 680 CB LYS A 349 -1.472 -2.071 0.509 1.00 0.00 C ATOM 681 CG LYS A 349 -2.684 -2.277 1.418 1.00 0.00 C ATOM 682 CD LYS A 349 -2.211 -2.575 2.841 1.00 0.00 C ATOM 683 CE LYS A 349 -2.979 -1.697 3.831 1.00 0.00 C ATOM 684 NZ LYS A 349 -1.940 -1.156 4.750 1.00 0.00 N ATOM 0 H LYS A 349 -3.201 -0.794 -0.551 1.00 0.00 H new ATOM 0 HA LYS A 349 -1.132 -0.035 1.226 1.00 0.00 H new ATOM 0 HB2 LYS A 349 -1.631 -2.572 -0.446 1.00 0.00 H new ATOM 0 HB3 LYS A 349 -0.586 -2.518 0.960 1.00 0.00 H new ATOM 0 HG2 LYS A 349 -3.312 -1.386 1.411 1.00 0.00 H new ATOM 0 HG3 LYS A 349 -3.294 -3.100 1.047 1.00 0.00 H new ATOM 0 HD2 LYS A 349 -2.369 -3.628 3.075 1.00 0.00 H new ATOM 0 HD3 LYS A 349 -1.141 -2.387 2.926 1.00 0.00 H new ATOM 0 HE2 LYS A 349 -3.509 -0.895 3.318 1.00 0.00 H new ATOM 0 HE3 LYS A 349 -3.725 -2.275 4.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 349 -2.389 -0.543 5.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 349 -1.456 -1.943 5.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 349 -1.247 -0.604 4.205 1.00 0.00 H new ATOM 698 N VAL A 350 0.021 -0.714 -1.774 1.00 0.00 N ATOM 699 CA VAL A 350 1.230 -0.508 -2.620 1.00 0.00 C ATOM 700 C VAL A 350 1.750 0.921 -2.453 1.00 0.00 C ATOM 701 O VAL A 350 2.802 1.147 -1.888 1.00 0.00 O ATOM 702 CB VAL A 350 0.756 -0.742 -4.053 1.00 0.00 C ATOM 703 CG1 VAL A 350 1.921 -0.513 -5.019 1.00 0.00 C ATOM 704 CG2 VAL A 350 0.254 -2.181 -4.193 1.00 0.00 C ATOM 0 H VAL A 350 -0.768 -1.157 -2.245 1.00 0.00 H new ATOM 0 HA VAL A 350 2.045 -1.178 -2.348 1.00 0.00 H new ATOM 0 HB VAL A 350 -0.052 -0.049 -4.287 1.00 0.00 H new ATOM 0 HG11 VAL A 350 1.584 -0.680 -6.042 1.00 0.00 H new ATOM 0 HG12 VAL A 350 2.281 0.511 -4.918 1.00 0.00 H new ATOM 0 HG13 VAL A 350 2.729 -1.207 -4.786 1.00 0.00 H new ATOM 0 HG21 VAL A 350 -0.085 -2.350 -5.215 1.00 0.00 H new ATOM 0 HG22 VAL A 350 1.063 -2.873 -3.960 1.00 0.00 H new ATOM 0 HG23 VAL A 350 -0.574 -2.346 -3.504 1.00 0.00 H new ATOM 714 N TYR A 351 1.022 1.887 -2.941 1.00 0.00 N ATOM 715 CA TYR A 351 1.476 3.300 -2.810 1.00 0.00 C ATOM 716 C TYR A 351 1.985 3.558 -1.389 1.00 0.00 C ATOM 717 O TYR A 351 2.999 4.195 -1.190 1.00 0.00 O ATOM 718 CB TYR A 351 0.236 4.145 -3.103 1.00 0.00 C ATOM 719 CG TYR A 351 -0.254 3.880 -4.512 1.00 0.00 C ATOM 720 CD1 TYR A 351 0.513 3.106 -5.398 1.00 0.00 C ATOM 721 CD2 TYR A 351 -1.479 4.411 -4.934 1.00 0.00 C ATOM 722 CE1 TYR A 351 0.053 2.867 -6.698 1.00 0.00 C ATOM 723 CE2 TYR A 351 -1.939 4.170 -6.234 1.00 0.00 C ATOM 724 CZ TYR A 351 -1.172 3.399 -7.116 1.00 0.00 C ATOM 725 OH TYR A 351 -1.626 3.162 -8.398 1.00 0.00 O ATOM 0 H TYR A 351 0.133 1.759 -3.424 1.00 0.00 H new ATOM 0 HA TYR A 351 2.295 3.538 -3.488 1.00 0.00 H new ATOM 0 HB2 TYR A 351 -0.551 3.911 -2.386 1.00 0.00 H new ATOM 0 HB3 TYR A 351 0.471 5.203 -2.984 1.00 0.00 H new ATOM 0 HD1 TYR A 351 1.458 2.695 -5.076 1.00 0.00 H new ATOM 0 HD2 TYR A 351 -2.070 5.008 -4.255 1.00 0.00 H new ATOM 0 HE1 TYR A 351 0.644 2.272 -7.379 1.00 0.00 H new ATOM 0 HE2 TYR A 351 -2.885 4.579 -6.557 1.00 0.00 H new ATOM 0 HH TYR A 351 -2.238 2.396 -8.392 1.00 0.00 H new ATOM 735 N GLU A 352 1.289 3.064 -0.401 1.00 0.00 N ATOM 736 CA GLU A 352 1.740 3.278 1.004 1.00 0.00 C ATOM 737 C GLU A 352 3.250 3.048 1.105 1.00 0.00 C ATOM 738 O GLU A 352 3.968 3.825 1.700 1.00 0.00 O ATOM 739 CB GLU A 352 0.979 2.241 1.830 1.00 0.00 C ATOM 740 CG GLU A 352 0.361 2.919 3.055 1.00 0.00 C ATOM 741 CD GLU A 352 1.472 3.480 3.944 1.00 0.00 C ATOM 742 OE1 GLU A 352 2.067 2.705 4.675 1.00 0.00 O ATOM 743 OE2 GLU A 352 1.709 4.675 3.881 1.00 0.00 O ATOM 0 H GLU A 352 0.430 2.523 -0.505 1.00 0.00 H new ATOM 0 HA GLU A 352 1.546 4.292 1.354 1.00 0.00 H new ATOM 0 HB2 GLU A 352 0.199 1.779 1.225 1.00 0.00 H new ATOM 0 HB3 GLU A 352 1.653 1.444 2.143 1.00 0.00 H new ATOM 0 HG2 GLU A 352 -0.308 3.721 2.741 1.00 0.00 H new ATOM 0 HG3 GLU A 352 -0.241 2.203 3.615 1.00 0.00 H new ATOM 750 N ASN A 353 3.735 1.986 0.520 1.00 0.00 N ATOM 751 CA ASN A 353 5.199 1.709 0.576 1.00 0.00 C ATOM 752 C ASN A 353 5.913 2.442 -0.563 1.00 0.00 C ATOM 753 O ASN A 353 7.122 2.572 -0.570 1.00 0.00 O ATOM 754 CB ASN A 353 5.329 0.193 0.403 1.00 0.00 C ATOM 755 CG ASN A 353 4.282 -0.515 1.266 1.00 0.00 C ATOM 756 OD1 ASN A 353 3.097 -0.745 0.772 1.00 0.00 O flip ATOM 757 ND2 ASN A 353 4.545 -0.863 2.400 1.00 0.00 N flip ATOM 0 H ASN A 353 3.182 1.300 0.007 1.00 0.00 H new ATOM 0 HA ASN A 353 5.648 2.049 1.509 1.00 0.00 H new ATOM 0 HB2 ASN A 353 5.194 -0.076 -0.644 1.00 0.00 H new ATOM 0 HB3 ASN A 353 6.330 -0.131 0.689 1.00 0.00 H new ATOM 0 HD21 ASN A 353 5.472 -0.683 2.787 1.00 0.00 H new ATOM 0 HD22 ASN A 353 3.839 -1.335 2.965 1.00 0.00 H new ATOM 764 N TYR A 354 5.175 2.922 -1.527 1.00 0.00 N ATOM 765 CA TYR A 354 5.812 3.647 -2.664 1.00 0.00 C ATOM 766 C TYR A 354 5.101 4.981 -2.920 1.00 0.00 C ATOM 767 O TYR A 354 4.752 5.290 -4.041 1.00 0.00 O ATOM 768 CB TYR A 354 5.648 2.715 -3.864 1.00 0.00 C ATOM 769 CG TYR A 354 6.473 1.469 -3.648 1.00 0.00 C ATOM 770 CD1 TYR A 354 7.764 1.568 -3.117 1.00 0.00 C ATOM 771 CD2 TYR A 354 5.946 0.215 -3.979 1.00 0.00 C ATOM 772 CE1 TYR A 354 8.530 0.414 -2.916 1.00 0.00 C ATOM 773 CE2 TYR A 354 6.712 -0.941 -3.778 1.00 0.00 C ATOM 774 CZ TYR A 354 8.004 -0.840 -3.246 1.00 0.00 C ATOM 775 OH TYR A 354 8.758 -1.977 -3.049 1.00 0.00 O ATOM 0 H TYR A 354 4.159 2.844 -1.577 1.00 0.00 H new ATOM 0 HA TYR A 354 6.857 3.884 -2.465 1.00 0.00 H new ATOM 0 HB2 TYR A 354 4.598 2.451 -3.993 1.00 0.00 H new ATOM 0 HB3 TYR A 354 5.964 3.220 -4.777 1.00 0.00 H new ATOM 0 HD1 TYR A 354 8.170 2.536 -2.862 1.00 0.00 H new ATOM 0 HD2 TYR A 354 4.950 0.139 -4.389 1.00 0.00 H new ATOM 0 HE1 TYR A 354 9.526 0.491 -2.506 1.00 0.00 H new ATOM 0 HE2 TYR A 354 6.307 -1.909 -4.033 1.00 0.00 H new ATOM 0 HH TYR A 354 8.170 -2.761 -3.035 1.00 0.00 H new ATOM 785 N PRO A 355 4.907 5.729 -1.866 1.00 0.00 N ATOM 786 CA PRO A 355 4.231 7.044 -1.983 1.00 0.00 C ATOM 787 C PRO A 355 5.189 8.096 -2.552 1.00 0.00 C ATOM 788 O PRO A 355 4.845 8.848 -3.442 1.00 0.00 O ATOM 789 CB PRO A 355 3.862 7.385 -0.543 1.00 0.00 C ATOM 790 CG PRO A 355 4.845 6.635 0.302 1.00 0.00 C ATOM 791 CD PRO A 355 5.293 5.428 -0.482 1.00 0.00 C ATOM 0 HA PRO A 355 3.370 7.020 -2.652 1.00 0.00 H new ATOM 0 HB2 PRO A 355 3.927 8.458 -0.363 1.00 0.00 H new ATOM 0 HB3 PRO A 355 2.839 7.085 -0.317 1.00 0.00 H new ATOM 0 HG2 PRO A 355 5.697 7.268 0.551 1.00 0.00 H new ATOM 0 HG3 PRO A 355 4.387 6.332 1.244 1.00 0.00 H new ATOM 0 HD2 PRO A 355 6.368 5.273 -0.394 1.00 0.00 H new ATOM 0 HD3 PRO A 355 4.810 4.519 -0.123 1.00 0.00 H new ATOM 799 N THR A 356 6.384 8.161 -2.033 1.00 0.00 N ATOM 800 CA THR A 356 7.365 9.172 -2.528 1.00 0.00 C ATOM 801 C THR A 356 7.665 8.962 -4.015 1.00 0.00 C ATOM 802 O THR A 356 8.281 9.792 -4.654 1.00 0.00 O ATOM 803 CB THR A 356 8.624 8.936 -1.692 1.00 0.00 C ATOM 804 OG1 THR A 356 8.715 7.559 -1.355 1.00 0.00 O ATOM 805 CG2 THR A 356 8.555 9.773 -0.414 1.00 0.00 C ATOM 0 H THR A 356 6.726 7.557 -1.286 1.00 0.00 H new ATOM 0 HA THR A 356 6.985 10.189 -2.430 1.00 0.00 H new ATOM 0 HB THR A 356 9.503 9.228 -2.267 1.00 0.00 H new ATOM 0 HG1 THR A 356 8.474 7.436 -0.413 1.00 0.00 H new ATOM 0 HG21 THR A 356 9.453 9.604 0.181 1.00 0.00 H new ATOM 0 HG22 THR A 356 8.486 10.829 -0.674 1.00 0.00 H new ATOM 0 HG23 THR A 356 7.677 9.483 0.164 1.00 0.00 H new ATOM 813 N TYR A 357 7.242 7.861 -4.573 1.00 0.00 N ATOM 814 CA TYR A 357 7.517 7.612 -6.019 1.00 0.00 C ATOM 815 C TYR A 357 6.233 7.736 -6.842 1.00 0.00 C ATOM 816 O TYR A 357 5.152 7.444 -6.372 1.00 0.00 O ATOM 817 CB TYR A 357 8.055 6.182 -6.077 1.00 0.00 C ATOM 818 CG TYR A 357 9.277 6.068 -5.201 1.00 0.00 C ATOM 819 CD1 TYR A 357 10.304 7.013 -5.306 1.00 0.00 C ATOM 820 CD2 TYR A 357 9.384 5.017 -4.281 1.00 0.00 C ATOM 821 CE1 TYR A 357 11.439 6.908 -4.493 1.00 0.00 C ATOM 822 CE2 TYR A 357 10.520 4.912 -3.468 1.00 0.00 C ATOM 823 CZ TYR A 357 11.547 5.858 -3.574 1.00 0.00 C ATOM 824 OH TYR A 357 12.665 5.754 -2.772 1.00 0.00 O ATOM 0 H TYR A 357 6.721 7.126 -4.095 1.00 0.00 H new ATOM 0 HA TYR A 357 8.222 8.334 -6.431 1.00 0.00 H new ATOM 0 HB2 TYR A 357 7.290 5.481 -5.745 1.00 0.00 H new ATOM 0 HB3 TYR A 357 8.305 5.918 -7.104 1.00 0.00 H new ATOM 0 HD1 TYR A 357 10.221 7.824 -6.015 1.00 0.00 H new ATOM 0 HD2 TYR A 357 8.591 4.288 -4.199 1.00 0.00 H new ATOM 0 HE1 TYR A 357 12.231 7.637 -4.575 1.00 0.00 H new ATOM 0 HE2 TYR A 357 10.604 4.101 -2.759 1.00 0.00 H new ATOM 0 HH TYR A 357 12.579 4.970 -2.191 1.00 0.00 H new ATOM 834 N ASP A 358 6.348 8.158 -8.071 1.00 0.00 N ATOM 835 CA ASP A 358 5.139 8.293 -8.933 1.00 0.00 C ATOM 836 C ASP A 358 4.919 6.998 -9.715 1.00 0.00 C ATOM 837 O ASP A 358 4.728 7.006 -10.914 1.00 0.00 O ATOM 838 CB ASP A 358 5.453 9.448 -9.886 1.00 0.00 C ATOM 839 CG ASP A 358 4.728 10.710 -9.414 1.00 0.00 C ATOM 840 OD1 ASP A 358 4.922 11.089 -8.271 1.00 0.00 O ATOM 841 OD2 ASP A 358 3.990 11.275 -10.205 1.00 0.00 O ATOM 0 H ASP A 358 7.229 8.416 -8.517 1.00 0.00 H new ATOM 0 HA ASP A 358 4.234 8.483 -8.356 1.00 0.00 H new ATOM 0 HB2 ASP A 358 6.528 9.624 -9.919 1.00 0.00 H new ATOM 0 HB3 ASP A 358 5.140 9.193 -10.899 1.00 0.00 H new ATOM 846 N LEU A 359 4.956 5.884 -9.036 1.00 0.00 N ATOM 847 CA LEU A 359 4.760 4.572 -9.719 1.00 0.00 C ATOM 848 C LEU A 359 3.682 4.675 -10.802 1.00 0.00 C ATOM 849 O LEU A 359 2.508 4.789 -10.515 1.00 0.00 O ATOM 850 CB LEU A 359 4.309 3.622 -8.611 1.00 0.00 C ATOM 851 CG LEU A 359 5.348 2.516 -8.423 1.00 0.00 C ATOM 852 CD1 LEU A 359 5.707 1.916 -9.783 1.00 0.00 C ATOM 853 CD2 LEU A 359 6.604 3.104 -7.777 1.00 0.00 C ATOM 0 H LEU A 359 5.115 5.825 -8.030 1.00 0.00 H new ATOM 0 HA LEU A 359 5.668 4.232 -10.217 1.00 0.00 H new ATOM 0 HB2 LEU A 359 4.177 4.172 -7.679 1.00 0.00 H new ATOM 0 HB3 LEU A 359 3.342 3.186 -8.864 1.00 0.00 H new ATOM 0 HG LEU A 359 4.938 1.737 -7.780 1.00 0.00 H new ATOM 0 HD11 LEU A 359 6.448 1.128 -9.649 1.00 0.00 H new ATOM 0 HD12 LEU A 359 4.812 1.498 -10.244 1.00 0.00 H new ATOM 0 HD13 LEU A 359 6.118 2.694 -10.427 1.00 0.00 H new ATOM 0 HD21 LEU A 359 7.346 2.317 -7.642 1.00 0.00 H new ATOM 0 HD22 LEU A 359 7.014 3.883 -8.420 1.00 0.00 H new ATOM 0 HD23 LEU A 359 6.348 3.532 -6.808 1.00 0.00 H new ATOM 865 N THR A 360 4.073 4.621 -12.044 1.00 0.00 N ATOM 866 CA THR A 360 3.073 4.698 -13.146 1.00 0.00 C ATOM 867 C THR A 360 3.084 3.388 -13.936 1.00 0.00 C ATOM 868 O THR A 360 2.113 2.655 -13.963 1.00 0.00 O ATOM 869 CB THR A 360 3.529 5.862 -14.031 1.00 0.00 C ATOM 870 OG1 THR A 360 4.801 6.322 -13.596 1.00 0.00 O ATOM 871 CG2 THR A 360 2.513 7.000 -13.939 1.00 0.00 C ATOM 0 H THR A 360 5.043 4.527 -12.345 1.00 0.00 H new ATOM 0 HA THR A 360 2.059 4.852 -12.777 1.00 0.00 H new ATOM 0 HB THR A 360 3.603 5.524 -15.065 1.00 0.00 H new ATOM 0 HG1 THR A 360 4.723 6.694 -12.693 1.00 0.00 H new ATOM 0 HG21 THR A 360 2.837 7.829 -14.569 1.00 0.00 H new ATOM 0 HG22 THR A 360 1.539 6.646 -14.277 1.00 0.00 H new ATOM 0 HG23 THR A 360 2.437 7.338 -12.905 1.00 0.00 H new ATOM 879 N GLU A 361 4.186 3.083 -14.564 1.00 0.00 N ATOM 880 CA GLU A 361 4.276 1.815 -15.339 1.00 0.00 C ATOM 881 C GLU A 361 4.415 0.643 -14.368 1.00 0.00 C ATOM 882 O GLU A 361 3.615 -0.273 -14.361 1.00 0.00 O ATOM 883 CB GLU A 361 5.535 1.959 -16.197 1.00 0.00 C ATOM 884 CG GLU A 361 5.357 3.124 -17.172 1.00 0.00 C ATOM 885 CD GLU A 361 6.282 2.929 -18.375 1.00 0.00 C ATOM 886 OE1 GLU A 361 6.545 1.788 -18.717 1.00 0.00 O ATOM 887 OE2 GLU A 361 6.714 3.925 -18.932 1.00 0.00 O ATOM 0 H GLU A 361 5.028 3.658 -14.574 1.00 0.00 H new ATOM 0 HA GLU A 361 3.395 1.630 -15.954 1.00 0.00 H new ATOM 0 HB2 GLU A 361 6.403 2.132 -15.561 1.00 0.00 H new ATOM 0 HB3 GLU A 361 5.721 1.036 -16.746 1.00 0.00 H new ATOM 0 HG2 GLU A 361 4.320 3.180 -17.503 1.00 0.00 H new ATOM 0 HG3 GLU A 361 5.584 4.067 -16.674 1.00 0.00 H new ATOM 894 N ARG A 362 5.418 0.676 -13.532 1.00 0.00 N ATOM 895 CA ARG A 362 5.595 -0.423 -12.546 1.00 0.00 C ATOM 896 C ARG A 362 4.358 -0.491 -11.649 1.00 0.00 C ATOM 897 O ARG A 362 4.110 -1.476 -10.982 1.00 0.00 O ATOM 898 CB ARG A 362 6.837 -0.038 -11.740 1.00 0.00 C ATOM 899 CG ARG A 362 8.096 -0.465 -12.496 1.00 0.00 C ATOM 900 CD ARG A 362 8.023 -1.961 -12.809 1.00 0.00 C ATOM 901 NE ARG A 362 7.657 -2.033 -14.251 1.00 0.00 N ATOM 902 CZ ARG A 362 8.292 -2.849 -15.045 1.00 0.00 C ATOM 903 NH1 ARG A 362 9.381 -2.458 -15.648 1.00 0.00 N ATOM 904 NH2 ARG A 362 7.836 -4.057 -15.239 1.00 0.00 N ATOM 0 H ARG A 362 6.119 1.415 -13.491 1.00 0.00 H new ATOM 0 HA ARG A 362 5.715 -1.401 -13.012 1.00 0.00 H new ATOM 0 HB2 ARG A 362 6.852 1.038 -11.569 1.00 0.00 H new ATOM 0 HB3 ARG A 362 6.809 -0.516 -10.761 1.00 0.00 H new ATOM 0 HG2 ARG A 362 8.189 0.106 -13.420 1.00 0.00 H new ATOM 0 HG3 ARG A 362 8.982 -0.251 -11.898 1.00 0.00 H new ATOM 0 HD2 ARG A 362 8.978 -2.452 -12.619 1.00 0.00 H new ATOM 0 HD3 ARG A 362 7.279 -2.459 -12.187 1.00 0.00 H new ATOM 0 HE ARG A 362 6.909 -1.444 -14.617 1.00 0.00 H new ATOM 0 HH11 ARG A 362 9.736 -1.514 -15.498 1.00 0.00 H new ATOM 0 HH12 ARG A 362 9.877 -3.097 -16.269 1.00 0.00 H new ATOM 0 HH21 ARG A 362 6.983 -4.362 -14.769 1.00 0.00 H new ATOM 0 HH22 ARG A 362 8.332 -4.696 -15.860 1.00 0.00 H new ATOM 918 N LYS A 363 3.570 0.552 -11.643 1.00 0.00 N ATOM 919 CA LYS A 363 2.335 0.556 -10.808 1.00 0.00 C ATOM 920 C LYS A 363 1.316 -0.406 -11.413 1.00 0.00 C ATOM 921 O LYS A 363 0.960 -1.406 -10.818 1.00 0.00 O ATOM 922 CB LYS A 363 1.817 1.993 -10.868 1.00 0.00 C ATOM 923 CG LYS A 363 0.528 2.107 -10.051 1.00 0.00 C ATOM 924 CD LYS A 363 -0.583 2.686 -10.930 1.00 0.00 C ATOM 925 CE LYS A 363 -0.544 4.215 -10.860 1.00 0.00 C ATOM 926 NZ LYS A 363 -1.447 4.674 -11.951 1.00 0.00 N ATOM 0 H LYS A 363 3.730 1.403 -12.182 1.00 0.00 H new ATOM 0 HA LYS A 363 2.519 0.239 -9.781 1.00 0.00 H new ATOM 0 HB2 LYS A 363 2.569 2.678 -10.477 1.00 0.00 H new ATOM 0 HB3 LYS A 363 1.631 2.280 -11.903 1.00 0.00 H new ATOM 0 HG2 LYS A 363 0.235 1.127 -9.675 1.00 0.00 H new ATOM 0 HG3 LYS A 363 0.690 2.746 -9.183 1.00 0.00 H new ATOM 0 HD2 LYS A 363 -0.456 2.355 -11.961 1.00 0.00 H new ATOM 0 HD3 LYS A 363 -1.554 2.321 -10.595 1.00 0.00 H new ATOM 0 HE2 LYS A 363 -0.884 4.574 -9.889 1.00 0.00 H new ATOM 0 HE3 LYS A 363 0.469 4.591 -11.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 363 -1.472 5.714 -11.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 363 -1.095 4.323 -12.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 363 -2.406 4.307 -11.786 1.00 0.00 H new ATOM 940 N ASP A 364 0.856 -0.125 -12.602 1.00 0.00 N ATOM 941 CA ASP A 364 -0.120 -1.045 -13.244 1.00 0.00 C ATOM 942 C ASP A 364 0.396 -2.477 -13.109 1.00 0.00 C ATOM 943 O ASP A 364 -0.360 -3.427 -13.087 1.00 0.00 O ATOM 944 CB ASP A 364 -0.168 -0.623 -14.714 1.00 0.00 C ATOM 945 CG ASP A 364 -0.775 0.777 -14.824 1.00 0.00 C ATOM 946 OD1 ASP A 364 -0.249 1.680 -14.193 1.00 0.00 O ATOM 947 OD2 ASP A 364 -1.754 0.923 -15.537 1.00 0.00 O ATOM 0 H ASP A 364 1.112 0.695 -13.151 1.00 0.00 H new ATOM 0 HA ASP A 364 -1.110 -1.001 -12.791 1.00 0.00 H new ATOM 0 HB2 ASP A 364 0.836 -0.630 -15.138 1.00 0.00 H new ATOM 0 HB3 ASP A 364 -0.762 -1.334 -15.288 1.00 0.00 H new ATOM 952 N PHE A 365 1.689 -2.626 -13.002 1.00 0.00 N ATOM 953 CA PHE A 365 2.282 -3.983 -12.850 1.00 0.00 C ATOM 954 C PHE A 365 1.956 -4.526 -11.455 1.00 0.00 C ATOM 955 O PHE A 365 1.808 -5.715 -11.257 1.00 0.00 O ATOM 956 CB PHE A 365 3.790 -3.765 -13.025 1.00 0.00 C ATOM 957 CG PHE A 365 4.565 -4.853 -12.315 1.00 0.00 C ATOM 958 CD1 PHE A 365 4.521 -6.170 -12.790 1.00 0.00 C ATOM 959 CD2 PHE A 365 5.331 -4.543 -11.184 1.00 0.00 C ATOM 960 CE1 PHE A 365 5.239 -7.176 -12.133 1.00 0.00 C ATOM 961 CE2 PHE A 365 6.050 -5.549 -10.528 1.00 0.00 C ATOM 962 CZ PHE A 365 6.005 -6.866 -11.002 1.00 0.00 C ATOM 0 H PHE A 365 2.363 -1.860 -13.014 1.00 0.00 H new ATOM 0 HA PHE A 365 1.897 -4.707 -13.569 1.00 0.00 H new ATOM 0 HB2 PHE A 365 4.043 -3.762 -14.085 1.00 0.00 H new ATOM 0 HB3 PHE A 365 4.072 -2.790 -12.627 1.00 0.00 H new ATOM 0 HD1 PHE A 365 3.933 -6.409 -13.664 1.00 0.00 H new ATOM 0 HD2 PHE A 365 5.367 -3.528 -10.818 1.00 0.00 H new ATOM 0 HE1 PHE A 365 5.202 -8.192 -12.498 1.00 0.00 H new ATOM 0 HE2 PHE A 365 6.640 -5.309 -9.656 1.00 0.00 H new ATOM 0 HZ PHE A 365 6.560 -7.642 -10.496 1.00 0.00 H new ATOM 972 N ILE A 366 1.840 -3.656 -10.488 1.00 0.00 N ATOM 973 CA ILE A 366 1.518 -4.112 -9.106 1.00 0.00 C ATOM 974 C ILE A 366 0.063 -4.581 -9.041 1.00 0.00 C ATOM 975 O ILE A 366 -0.218 -5.743 -8.824 1.00 0.00 O ATOM 976 CB ILE A 366 1.722 -2.882 -8.221 1.00 0.00 C ATOM 977 CG1 ILE A 366 3.207 -2.515 -8.182 1.00 0.00 C ATOM 978 CG2 ILE A 366 1.238 -3.188 -6.804 1.00 0.00 C ATOM 979 CD1 ILE A 366 3.354 -1.017 -7.912 1.00 0.00 C ATOM 0 H ILE A 366 1.955 -2.648 -10.596 1.00 0.00 H new ATOM 0 HA ILE A 366 2.143 -4.947 -8.788 1.00 0.00 H new ATOM 0 HB ILE A 366 1.154 -2.046 -8.629 1.00 0.00 H new ATOM 0 HG12 ILE A 366 3.714 -3.087 -7.405 1.00 0.00 H new ATOM 0 HG13 ILE A 366 3.682 -2.773 -9.129 1.00 0.00 H new ATOM 0 HG21 ILE A 366 1.383 -2.311 -6.173 1.00 0.00 H new ATOM 0 HG22 ILE A 366 0.179 -3.446 -6.829 1.00 0.00 H new ATOM 0 HG23 ILE A 366 1.806 -4.025 -6.398 1.00 0.00 H new ATOM 0 HD11 ILE A 366 4.412 -0.754 -7.884 1.00 0.00 H new ATOM 0 HD12 ILE A 366 2.861 -0.454 -8.705 1.00 0.00 H new ATOM 0 HD13 ILE A 366 2.894 -0.773 -6.954 1.00 0.00 H new ATOM 991 N LYS A 367 -0.865 -3.683 -9.231 1.00 0.00 N ATOM 992 CA LYS A 367 -2.301 -4.077 -9.183 1.00 0.00 C ATOM 993 C LYS A 367 -2.504 -5.395 -9.937 1.00 0.00 C ATOM 994 O LYS A 367 -3.198 -6.282 -9.483 1.00 0.00 O ATOM 995 CB LYS A 367 -3.055 -2.935 -9.867 1.00 0.00 C ATOM 996 CG LYS A 367 -2.805 -2.983 -11.376 1.00 0.00 C ATOM 997 CD LYS A 367 -3.500 -1.798 -12.045 1.00 0.00 C ATOM 998 CE LYS A 367 -3.845 -2.159 -13.490 1.00 0.00 C ATOM 999 NZ LYS A 367 -4.366 -0.898 -14.088 1.00 0.00 N ATOM 0 H LYS A 367 -0.691 -2.695 -9.417 1.00 0.00 H new ATOM 0 HA LYS A 367 -2.656 -4.235 -8.165 1.00 0.00 H new ATOM 0 HB2 LYS A 367 -4.123 -3.017 -9.663 1.00 0.00 H new ATOM 0 HB3 LYS A 367 -2.726 -1.977 -9.464 1.00 0.00 H new ATOM 0 HG2 LYS A 367 -1.735 -2.953 -11.579 1.00 0.00 H new ATOM 0 HG3 LYS A 367 -3.181 -3.919 -11.788 1.00 0.00 H new ATOM 0 HD2 LYS A 367 -4.406 -1.538 -11.498 1.00 0.00 H new ATOM 0 HD3 LYS A 367 -2.851 -0.922 -12.023 1.00 0.00 H new ATOM 0 HE2 LYS A 367 -2.967 -2.518 -14.028 1.00 0.00 H new ATOM 0 HE3 LYS A 367 -4.591 -2.953 -13.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 367 -4.625 -1.066 -15.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 367 -5.205 -0.584 -13.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 367 -3.632 -0.162 -14.041 1.00 0.00 H new ATOM 1013 N THR A 368 -1.898 -5.530 -11.086 1.00 0.00 N ATOM 1014 CA THR A 368 -2.052 -6.789 -11.869 1.00 0.00 C ATOM 1015 C THR A 368 -1.302 -7.933 -11.181 1.00 0.00 C ATOM 1016 O THR A 368 -1.670 -9.085 -11.296 1.00 0.00 O ATOM 1017 CB THR A 368 -1.431 -6.485 -13.233 1.00 0.00 C ATOM 1018 OG1 THR A 368 -2.022 -5.308 -13.768 1.00 0.00 O ATOM 1019 CG2 THR A 368 -1.676 -7.658 -14.183 1.00 0.00 C ATOM 0 H THR A 368 -1.303 -4.822 -11.516 1.00 0.00 H new ATOM 0 HA THR A 368 -3.094 -7.098 -11.955 1.00 0.00 H new ATOM 0 HB THR A 368 -0.358 -6.334 -13.118 1.00 0.00 H new ATOM 0 HG1 THR A 368 -1.330 -4.628 -13.906 1.00 0.00 H new ATOM 0 HG21 THR A 368 -1.232 -7.438 -15.154 1.00 0.00 H new ATOM 0 HG22 THR A 368 -1.222 -8.560 -13.772 1.00 0.00 H new ATOM 0 HG23 THR A 368 -2.748 -7.813 -14.301 1.00 0.00 H new ATOM 1027 N THR A 369 -0.252 -7.628 -10.467 1.00 0.00 N ATOM 1028 CA THR A 369 0.515 -8.704 -9.777 1.00 0.00 C ATOM 1029 C THR A 369 -0.414 -9.502 -8.855 1.00 0.00 C ATOM 1030 O THR A 369 -0.330 -10.711 -8.765 1.00 0.00 O ATOM 1031 CB THR A 369 1.616 -7.970 -8.989 1.00 0.00 C ATOM 1032 OG1 THR A 369 2.807 -8.743 -9.021 1.00 0.00 O ATOM 1033 CG2 THR A 369 1.196 -7.749 -7.528 1.00 0.00 C ATOM 0 H THR A 369 0.107 -6.683 -10.332 1.00 0.00 H new ATOM 0 HA THR A 369 0.947 -9.426 -10.470 1.00 0.00 H new ATOM 0 HB THR A 369 1.782 -6.997 -9.451 1.00 0.00 H new ATOM 0 HG1 THR A 369 3.512 -8.279 -8.522 1.00 0.00 H new ATOM 0 HG21 THR A 369 1.992 -7.229 -6.995 1.00 0.00 H new ATOM 0 HG22 THR A 369 0.287 -7.149 -7.498 1.00 0.00 H new ATOM 0 HG23 THR A 369 1.011 -8.712 -7.053 1.00 0.00 H new ATOM 1041 N VAL A 370 -1.305 -8.832 -8.176 1.00 0.00 N ATOM 1042 CA VAL A 370 -2.240 -9.552 -7.269 1.00 0.00 C ATOM 1043 C VAL A 370 -3.367 -10.187 -8.086 1.00 0.00 C ATOM 1044 O VAL A 370 -3.571 -11.383 -8.054 1.00 0.00 O ATOM 1045 CB VAL A 370 -2.788 -8.479 -6.331 1.00 0.00 C ATOM 1046 CG1 VAL A 370 -3.710 -9.126 -5.297 1.00 0.00 C ATOM 1047 CG2 VAL A 370 -1.620 -7.794 -5.616 1.00 0.00 C ATOM 0 H VAL A 370 -1.425 -7.820 -8.211 1.00 0.00 H new ATOM 0 HA VAL A 370 -1.753 -10.356 -6.717 1.00 0.00 H new ATOM 0 HB VAL A 370 -3.351 -7.743 -6.905 1.00 0.00 H new ATOM 0 HG11 VAL A 370 -4.101 -8.359 -4.628 1.00 0.00 H new ATOM 0 HG12 VAL A 370 -4.538 -9.620 -5.806 1.00 0.00 H new ATOM 0 HG13 VAL A 370 -3.150 -9.861 -4.719 1.00 0.00 H new ATOM 0 HG21 VAL A 370 -2.004 -7.026 -4.944 1.00 0.00 H new ATOM 0 HG22 VAL A 370 -1.062 -8.533 -5.041 1.00 0.00 H new ATOM 0 HG23 VAL A 370 -0.961 -7.335 -6.353 1.00 0.00 H new ATOM 1057 N LYS A 371 -4.093 -9.397 -8.828 1.00 0.00 N ATOM 1058 CA LYS A 371 -5.194 -9.967 -9.655 1.00 0.00 C ATOM 1059 C LYS A 371 -4.656 -11.135 -10.485 1.00 0.00 C ATOM 1060 O LYS A 371 -5.351 -12.099 -10.748 1.00 0.00 O ATOM 1061 CB LYS A 371 -5.645 -8.823 -10.563 1.00 0.00 C ATOM 1062 CG LYS A 371 -5.910 -7.576 -9.718 1.00 0.00 C ATOM 1063 CD LYS A 371 -7.302 -7.029 -10.035 1.00 0.00 C ATOM 1064 CE LYS A 371 -7.350 -6.566 -11.493 1.00 0.00 C ATOM 1065 NZ LYS A 371 -6.613 -5.272 -11.509 1.00 0.00 N ATOM 0 H LYS A 371 -3.973 -8.387 -8.898 1.00 0.00 H new ATOM 0 HA LYS A 371 -6.018 -10.348 -9.052 1.00 0.00 H new ATOM 0 HB2 LYS A 371 -4.879 -8.613 -11.310 1.00 0.00 H new ATOM 0 HB3 LYS A 371 -6.548 -9.108 -11.104 1.00 0.00 H new ATOM 0 HG2 LYS A 371 -5.837 -7.820 -8.658 1.00 0.00 H new ATOM 0 HG3 LYS A 371 -5.155 -6.818 -9.924 1.00 0.00 H new ATOM 0 HD2 LYS A 371 -8.055 -7.798 -9.862 1.00 0.00 H new ATOM 0 HD3 LYS A 371 -7.537 -6.198 -9.371 1.00 0.00 H new ATOM 0 HE2 LYS A 371 -6.882 -7.295 -12.155 1.00 0.00 H new ATOM 0 HE3 LYS A 371 -8.378 -6.440 -11.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 371 -7.264 -4.505 -11.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 371 -6.222 -5.083 -10.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 371 -5.838 -5.322 -12.201 1.00 0.00 H new ATOM 1079 N GLU A 372 -3.416 -11.061 -10.885 1.00 0.00 N ATOM 1080 CA GLU A 372 -2.822 -12.169 -11.684 1.00 0.00 C ATOM 1081 C GLU A 372 -2.554 -13.361 -10.768 1.00 0.00 C ATOM 1082 O GLU A 372 -2.574 -14.501 -11.188 1.00 0.00 O ATOM 1083 CB GLU A 372 -1.512 -11.608 -12.240 1.00 0.00 C ATOM 1084 CG GLU A 372 -0.949 -12.569 -13.290 1.00 0.00 C ATOM 1085 CD GLU A 372 -1.575 -12.262 -14.652 1.00 0.00 C ATOM 1086 OE1 GLU A 372 -1.855 -11.102 -14.906 1.00 0.00 O ATOM 1087 OE2 GLU A 372 -1.764 -13.193 -15.418 1.00 0.00 O ATOM 0 H GLU A 372 -2.788 -10.280 -10.693 1.00 0.00 H new ATOM 0 HA GLU A 372 -3.478 -12.511 -12.485 1.00 0.00 H new ATOM 0 HB2 GLU A 372 -1.684 -10.627 -12.684 1.00 0.00 H new ATOM 0 HB3 GLU A 372 -0.792 -11.471 -11.434 1.00 0.00 H new ATOM 0 HG2 GLU A 372 0.135 -12.469 -13.345 1.00 0.00 H new ATOM 0 HG3 GLU A 372 -1.160 -13.600 -13.005 1.00 0.00 H new ATOM 1094 N LEU A 373 -2.320 -13.101 -9.512 1.00 0.00 N ATOM 1095 CA LEU A 373 -2.071 -14.208 -8.551 1.00 0.00 C ATOM 1096 C LEU A 373 -3.415 -14.818 -8.150 1.00 0.00 C ATOM 1097 O LEU A 373 -3.529 -16.003 -7.909 1.00 0.00 O ATOM 1098 CB LEU A 373 -1.364 -13.538 -7.360 1.00 0.00 C ATOM 1099 CG LEU A 373 -1.839 -14.145 -6.035 1.00 0.00 C ATOM 1100 CD1 LEU A 373 -0.811 -13.860 -4.940 1.00 0.00 C ATOM 1101 CD2 LEU A 373 -3.181 -13.517 -5.649 1.00 0.00 C ATOM 0 H LEU A 373 -2.291 -12.164 -9.109 1.00 0.00 H new ATOM 0 HA LEU A 373 -1.463 -15.017 -8.955 1.00 0.00 H new ATOM 0 HB2 LEU A 373 -0.285 -13.661 -7.456 1.00 0.00 H new ATOM 0 HB3 LEU A 373 -1.565 -12.467 -7.367 1.00 0.00 H new ATOM 0 HG LEU A 373 -1.954 -15.223 -6.148 1.00 0.00 H new ATOM 0 HD11 LEU A 373 -1.152 -14.293 -3.999 1.00 0.00 H new ATOM 0 HD12 LEU A 373 0.147 -14.301 -5.216 1.00 0.00 H new ATOM 0 HD13 LEU A 373 -0.694 -12.783 -4.822 1.00 0.00 H new ATOM 0 HD21 LEU A 373 -3.525 -13.944 -4.707 1.00 0.00 H new ATOM 0 HD22 LEU A 373 -3.059 -12.440 -5.536 1.00 0.00 H new ATOM 0 HD23 LEU A 373 -3.915 -13.719 -6.429 1.00 0.00 H new ATOM 1113 N ILE A 374 -4.438 -14.009 -8.088 1.00 0.00 N ATOM 1114 CA ILE A 374 -5.779 -14.530 -7.715 1.00 0.00 C ATOM 1115 C ILE A 374 -6.273 -15.501 -8.788 1.00 0.00 C ATOM 1116 O ILE A 374 -7.006 -16.429 -8.513 1.00 0.00 O ATOM 1117 CB ILE A 374 -6.681 -13.299 -7.645 1.00 0.00 C ATOM 1118 CG1 ILE A 374 -6.184 -12.363 -6.541 1.00 0.00 C ATOM 1119 CG2 ILE A 374 -8.115 -13.733 -7.338 1.00 0.00 C ATOM 1120 CD1 ILE A 374 -7.049 -11.102 -6.512 1.00 0.00 C ATOM 0 H ILE A 374 -4.400 -13.008 -8.280 1.00 0.00 H new ATOM 0 HA ILE A 374 -5.767 -15.073 -6.770 1.00 0.00 H new ATOM 0 HB ILE A 374 -6.656 -12.777 -8.602 1.00 0.00 H new ATOM 0 HG12 ILE A 374 -6.226 -12.868 -5.576 1.00 0.00 H new ATOM 0 HG13 ILE A 374 -5.142 -12.098 -6.717 1.00 0.00 H new ATOM 0 HG21 ILE A 374 -8.758 -12.854 -7.288 1.00 0.00 H new ATOM 0 HG22 ILE A 374 -8.470 -14.399 -8.125 1.00 0.00 H new ATOM 0 HG23 ILE A 374 -8.140 -14.256 -6.382 1.00 0.00 H new ATOM 0 HD11 ILE A 374 -6.695 -10.436 -5.726 1.00 0.00 H new ATOM 0 HD12 ILE A 374 -6.984 -10.594 -7.474 1.00 0.00 H new ATOM 0 HD13 ILE A 374 -8.085 -11.376 -6.315 1.00 0.00 H new ATOM 1132 N SER A 375 -5.867 -15.299 -10.011 1.00 0.00 N ATOM 1133 CA SER A 375 -6.303 -16.216 -11.101 1.00 0.00 C ATOM 1134 C SER A 375 -5.334 -17.396 -11.197 1.00 0.00 C ATOM 1135 O SER A 375 -5.704 -18.490 -11.573 1.00 0.00 O ATOM 1136 CB SER A 375 -6.254 -15.372 -12.375 1.00 0.00 C ATOM 1137 OG SER A 375 -4.998 -14.712 -12.454 1.00 0.00 O ATOM 0 H SER A 375 -5.252 -14.539 -10.303 1.00 0.00 H new ATOM 0 HA SER A 375 -7.298 -16.627 -10.930 1.00 0.00 H new ATOM 0 HB2 SER A 375 -6.401 -16.005 -13.250 1.00 0.00 H new ATOM 0 HB3 SER A 375 -7.062 -14.641 -12.372 1.00 0.00 H new ATOM 0 HG SER A 375 -4.963 -14.171 -13.271 1.00 0.00 H new ATOM 1143 N LEU A 376 -4.093 -17.176 -10.860 1.00 0.00 N ATOM 1144 CA LEU A 376 -3.093 -18.278 -10.932 1.00 0.00 C ATOM 1145 C LEU A 376 -3.164 -19.152 -9.675 1.00 0.00 C ATOM 1146 O LEU A 376 -2.758 -20.297 -9.683 1.00 0.00 O ATOM 1147 CB LEU A 376 -1.737 -17.575 -11.020 1.00 0.00 C ATOM 1148 CG LEU A 376 -0.734 -18.481 -11.736 1.00 0.00 C ATOM 1149 CD1 LEU A 376 -0.965 -18.404 -13.246 1.00 0.00 C ATOM 1150 CD2 LEU A 376 0.689 -18.019 -11.413 1.00 0.00 C ATOM 0 H LEU A 376 -3.728 -16.280 -10.538 1.00 0.00 H new ATOM 0 HA LEU A 376 -3.270 -18.937 -11.782 1.00 0.00 H new ATOM 0 HB2 LEU A 376 -1.839 -16.632 -11.558 1.00 0.00 H new ATOM 0 HB3 LEU A 376 -1.375 -17.334 -10.020 1.00 0.00 H new ATOM 0 HG LEU A 376 -0.868 -19.509 -11.401 1.00 0.00 H new ATOM 0 HD11 LEU A 376 -0.250 -19.049 -13.757 1.00 0.00 H new ATOM 0 HD12 LEU A 376 -1.979 -18.731 -13.476 1.00 0.00 H new ATOM 0 HD13 LEU A 376 -0.831 -17.376 -13.583 1.00 0.00 H new ATOM 0 HD21 LEU A 376 1.405 -18.664 -11.922 1.00 0.00 H new ATOM 0 HD22 LEU A 376 0.823 -16.991 -11.749 1.00 0.00 H new ATOM 0 HD23 LEU A 376 0.854 -18.073 -10.337 1.00 0.00 H new ATOM 1162 N GLU A 377 -3.674 -18.623 -8.596 1.00 0.00 N ATOM 1163 CA GLU A 377 -3.762 -19.431 -7.344 1.00 0.00 C ATOM 1164 C GLU A 377 -5.221 -19.577 -6.900 1.00 0.00 C ATOM 1165 O GLU A 377 -5.529 -20.320 -5.989 1.00 0.00 O ATOM 1166 CB GLU A 377 -2.964 -18.642 -6.305 1.00 0.00 C ATOM 1167 CG GLU A 377 -1.537 -19.191 -6.233 1.00 0.00 C ATOM 1168 CD GLU A 377 -1.029 -19.107 -4.792 1.00 0.00 C ATOM 1169 OE1 GLU A 377 -1.134 -18.041 -4.209 1.00 0.00 O ATOM 1170 OE2 GLU A 377 -0.543 -20.110 -4.296 1.00 0.00 O ATOM 0 H GLU A 377 -4.032 -17.671 -8.526 1.00 0.00 H new ATOM 0 HA GLU A 377 -3.372 -20.440 -7.481 1.00 0.00 H new ATOM 0 HB2 GLU A 377 -2.945 -17.585 -6.571 1.00 0.00 H new ATOM 0 HB3 GLU A 377 -3.444 -18.717 -5.329 1.00 0.00 H new ATOM 0 HG2 GLU A 377 -1.516 -20.225 -6.577 1.00 0.00 H new ATOM 0 HG3 GLU A 377 -0.883 -18.622 -6.894 1.00 0.00 H new ATOM 1177 N HIS A 378 -6.124 -18.878 -7.534 1.00 0.00 N ATOM 1178 CA HIS A 378 -7.559 -18.986 -7.138 1.00 0.00 C ATOM 1179 C HIS A 378 -8.458 -18.856 -8.371 1.00 0.00 C ATOM 1180 O HIS A 378 -7.966 -19.076 -9.465 1.00 0.00 O ATOM 1181 CB HIS A 378 -7.810 -17.824 -6.170 1.00 0.00 C ATOM 1182 CG HIS A 378 -6.622 -17.644 -5.262 1.00 0.00 C ATOM 1183 ND1 HIS A 378 -5.360 -17.152 -5.491 1.00 0.00 N flip ATOM 1184 CD2 HIS A 378 -6.656 -17.994 -3.922 1.00 0.00 C flip ATOM 1185 CE1 HIS A 378 -4.621 -17.196 -4.311 1.00 0.00 C flip ATOM 1186 NE2 HIS A 378 -5.450 -17.711 -3.399 1.00 0.00 N flip ATOM 1187 OXT HIS A 378 -9.624 -18.539 -8.197 1.00 0.00 O ATOM 0 H HIS A 378 -5.932 -18.239 -8.306 1.00 0.00 H new ATOM 0 HA HIS A 378 -7.781 -19.948 -6.676 1.00 0.00 H new ATOM 0 HB2 HIS A 378 -7.993 -16.907 -6.730 1.00 0.00 H new ATOM 0 HB3 HIS A 378 -8.704 -18.020 -5.578 1.00 0.00 H new ATOM 0 HD2 HIS A 378 -7.498 -18.417 -3.394 1.00 0.00 H new ATOM 0 HE1 HIS A 378 -3.598 -16.881 -4.165 1.00 0.00 H new ATOM 0 HE2 HIS A 378 -5.199 -17.870 -2.423 1.00 0.00 H new