USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 489 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 338 HIS : no HD1:sc= 0.263 K(o=0.66,f=-2.2) USER MOD Set 1.2: A 363 SER OG : rot 79:sc= 0.392 USER MOD Set 2.1: A 301 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 303 ASN : amide:sc= -2.3! K(o=-2.3!,f=1.1) USER MOD Set 3.1: A 293 MET CE :methyl -177:sc= -0.0559 (180deg=-0.0895) USER MOD Set 3.2: A 352 MET CE :methyl 171:sc= -0.398 (180deg=-0.714) USER MOD Set 4.1: A 290 CYS SG : rot 12:sc= 1.76 USER MOD Set 4.2: A 362 ASN : amide:sc= 1.15 K(o=2.9,f=0.59) USER MOD Single : A 289 HIS : no HD1:sc= -1.33 X(o=-1.3,f=-1.3) USER MOD Single : A 292 HIS : no HD1:sc= -0.0235 X(o=-0.023,f=-0.0086) USER MOD Single : A 306 TYR OH : rot 180:sc= 0 USER MOD Single : A 307 ASN : amide:sc= 0.38 K(o=0.38,f=-0.47) USER MOD Single : A 310 SER OG : rot -172:sc= 0.0131 USER MOD Single : A 313 ASN : amide:sc=-0.00859 X(o=-0.0086,f=-0.22) USER MOD Single : A 318 HIS : no HD1:sc= -0.105 X(o=-0.1,f=-0.072) USER MOD Single : A 337 THR OG1 : rot -30:sc= 1.13 USER MOD Single : A 345 MET CE :methyl 171:sc= -0.789 (180deg=-0.952) USER MOD Single : A 346 SER OG : rot -43:sc= 0.568 USER MOD Single : A 347 LYS NZ :NH3+ 177:sc= 1.16 (180deg=1.15) USER MOD Single : A 351 ASN : amide:sc= -0.0416 K(o=-0.042,f=-3.9!) USER MOD Single : A 353 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.012) USER MOD Single : A 354 HIS : no HD1:sc= -0.37 X(o=-0.37,f=0) USER MOD Single : A 356 TYR OH : rot 180:sc= 0 USER MOD Single : A 364 THR OG1 : rot 180:sc= -0.0498 USER MOD Single : A 365 THR OG1 : rot -20:sc= 0.397 USER MOD ----------------------------------------------------------------- ATOM 159 N HIS A 289 -4.555 4.544 -5.952 1.00 0.00 N ATOM 160 CA HIS A 289 -3.110 4.739 -5.959 1.00 0.00 C ATOM 161 C HIS A 289 -2.539 3.716 -4.985 1.00 0.00 C ATOM 162 O HIS A 289 -3.084 3.578 -3.893 1.00 0.00 O ATOM 163 CB HIS A 289 -2.792 6.162 -5.498 1.00 0.00 C ATOM 164 CG HIS A 289 -3.226 7.208 -6.487 1.00 0.00 C ATOM 165 ND1 HIS A 289 -2.406 8.019 -7.235 1.00 0.00 N ATOM 166 CD2 HIS A 289 -4.514 7.530 -6.810 1.00 0.00 C ATOM 167 CE1 HIS A 289 -3.189 8.818 -7.980 1.00 0.00 C ATOM 168 NE2 HIS A 289 -4.488 8.560 -7.755 1.00 0.00 N ATOM 0 HA HIS A 289 -2.681 4.607 -6.952 1.00 0.00 H new ATOM 0 HB2 HIS A 289 -3.282 6.347 -4.542 1.00 0.00 H new ATOM 0 HB3 HIS A 289 -1.719 6.252 -5.328 1.00 0.00 H new ATOM 0 HD2 HIS A 289 -5.402 7.067 -6.404 1.00 0.00 H new ATOM 0 HE1 HIS A 289 -2.823 9.567 -8.667 1.00 0.00 H new ATOM 0 HE2 HIS A 289 -5.290 9.021 -8.185 1.00 0.00 H new ATOM 176 N CYS A 290 -1.466 2.992 -5.327 1.00 0.00 N ATOM 177 CA CYS A 290 -1.063 1.900 -4.455 1.00 0.00 C ATOM 178 C CYS A 290 0.440 1.828 -4.225 1.00 0.00 C ATOM 179 O CYS A 290 1.225 2.521 -4.867 1.00 0.00 O ATOM 180 CB CYS A 290 -1.624 0.588 -5.010 1.00 0.00 C ATOM 181 SG CYS A 290 -1.084 0.361 -6.723 1.00 0.00 S ATOM 0 H CYS A 290 -0.892 3.136 -6.158 1.00 0.00 H new ATOM 0 HA CYS A 290 -1.482 2.087 -3.466 1.00 0.00 H new ATOM 0 HB2 CYS A 290 -1.286 -0.249 -4.399 1.00 0.00 H new ATOM 0 HB3 CYS A 290 -2.713 0.599 -4.961 1.00 0.00 H new ATOM 0 HG CYS A 290 -0.159 1.230 -7.005 1.00 0.00 H new ATOM 187 N VAL A 291 0.820 0.965 -3.281 1.00 0.00 N ATOM 188 CA VAL A 291 2.195 0.751 -2.862 1.00 0.00 C ATOM 189 C VAL A 291 2.308 -0.691 -2.372 1.00 0.00 C ATOM 190 O VAL A 291 1.387 -1.203 -1.738 1.00 0.00 O ATOM 191 CB VAL A 291 2.525 1.739 -1.731 1.00 0.00 C ATOM 192 CG1 VAL A 291 3.953 1.562 -1.231 1.00 0.00 C ATOM 193 CG2 VAL A 291 2.372 3.193 -2.182 1.00 0.00 C ATOM 0 H VAL A 291 0.154 0.381 -2.775 1.00 0.00 H new ATOM 0 HA VAL A 291 2.896 0.916 -3.681 1.00 0.00 H new ATOM 0 HB VAL A 291 1.816 1.521 -0.932 1.00 0.00 H new ATOM 0 HG11 VAL A 291 4.150 2.277 -0.432 1.00 0.00 H new ATOM 0 HG12 VAL A 291 4.082 0.549 -0.851 1.00 0.00 H new ATOM 0 HG13 VAL A 291 4.650 1.734 -2.052 1.00 0.00 H new ATOM 0 HG21 VAL A 291 2.614 3.858 -1.353 1.00 0.00 H new ATOM 0 HG22 VAL A 291 3.048 3.389 -3.014 1.00 0.00 H new ATOM 0 HG23 VAL A 291 1.344 3.369 -2.500 1.00 0.00 H new ATOM 203 N HIS A 292 3.431 -1.354 -2.659 1.00 0.00 N ATOM 204 CA HIS A 292 3.646 -2.726 -2.219 1.00 0.00 C ATOM 205 C HIS A 292 4.008 -2.742 -0.735 1.00 0.00 C ATOM 206 O HIS A 292 4.434 -1.723 -0.202 1.00 0.00 O ATOM 207 CB HIS A 292 4.789 -3.336 -3.029 1.00 0.00 C ATOM 208 CG HIS A 292 4.552 -3.299 -4.515 1.00 0.00 C ATOM 209 ND1 HIS A 292 5.173 -2.468 -5.418 1.00 0.00 N ATOM 210 CD2 HIS A 292 3.681 -4.085 -5.222 1.00 0.00 C ATOM 211 CE1 HIS A 292 4.689 -2.754 -6.640 1.00 0.00 C ATOM 212 NE2 HIS A 292 3.772 -3.734 -6.574 1.00 0.00 N ATOM 0 H HIS A 292 4.203 -0.958 -3.195 1.00 0.00 H new ATOM 0 HA HIS A 292 2.735 -3.305 -2.371 1.00 0.00 H new ATOM 0 HB2 HIS A 292 5.711 -2.802 -2.802 1.00 0.00 H new ATOM 0 HB3 HIS A 292 4.935 -4.370 -2.717 1.00 0.00 H new ATOM 0 HD2 HIS A 292 3.035 -4.845 -4.808 1.00 0.00 H new ATOM 0 HE1 HIS A 292 4.996 -2.262 -7.551 1.00 0.00 H new ATOM 0 HE2 HIS A 292 3.249 -4.139 -7.350 1.00 0.00 H new ATOM 220 N MET A 293 3.848 -3.884 -0.060 1.00 0.00 N ATOM 221 CA MET A 293 4.293 -4.027 1.320 1.00 0.00 C ATOM 222 C MET A 293 4.636 -5.481 1.622 1.00 0.00 C ATOM 223 O MET A 293 4.026 -6.412 1.098 1.00 0.00 O ATOM 224 CB MET A 293 3.218 -3.507 2.280 1.00 0.00 C ATOM 225 CG MET A 293 3.593 -3.748 3.741 1.00 0.00 C ATOM 226 SD MET A 293 2.396 -3.049 4.902 1.00 0.00 S ATOM 227 CE MET A 293 3.303 -3.302 6.445 1.00 0.00 C ATOM 0 H MET A 293 3.413 -4.720 -0.451 1.00 0.00 H new ATOM 0 HA MET A 293 5.195 -3.431 1.461 1.00 0.00 H new ATOM 0 HB2 MET A 293 3.069 -2.440 2.115 1.00 0.00 H new ATOM 0 HB3 MET A 293 2.269 -3.998 2.063 1.00 0.00 H new ATOM 0 HG2 MET A 293 3.678 -4.820 3.917 1.00 0.00 H new ATOM 0 HG3 MET A 293 4.574 -3.315 3.935 1.00 0.00 H new ATOM 0 HE1 MET A 293 2.690 -2.976 7.285 1.00 0.00 H new ATOM 0 HE2 MET A 293 3.541 -4.360 6.558 1.00 0.00 H new ATOM 0 HE3 MET A 293 4.226 -2.723 6.423 1.00 0.00 H new ATOM 237 N ARG A 294 5.634 -5.661 2.489 1.00 0.00 N ATOM 238 CA ARG A 294 6.140 -6.960 2.892 1.00 0.00 C ATOM 239 C ARG A 294 6.817 -6.821 4.251 1.00 0.00 C ATOM 240 O ARG A 294 6.926 -5.720 4.785 1.00 0.00 O ATOM 241 CB ARG A 294 7.149 -7.435 1.840 1.00 0.00 C ATOM 242 CG ARG A 294 6.612 -8.569 0.966 1.00 0.00 C ATOM 243 CD ARG A 294 6.307 -9.815 1.797 1.00 0.00 C ATOM 244 NE ARG A 294 5.986 -10.952 0.931 1.00 0.00 N ATOM 245 CZ ARG A 294 6.021 -12.228 1.318 1.00 0.00 C ATOM 246 NH1 ARG A 294 6.343 -12.552 2.568 1.00 0.00 N ATOM 247 NH2 ARG A 294 5.732 -13.187 0.444 1.00 0.00 N ATOM 0 H ARG A 294 6.120 -4.884 2.937 1.00 0.00 H new ATOM 0 HA ARG A 294 5.331 -7.686 2.970 1.00 0.00 H new ATOM 0 HB2 ARG A 294 7.426 -6.594 1.204 1.00 0.00 H new ATOM 0 HB3 ARG A 294 8.058 -7.769 2.341 1.00 0.00 H new ATOM 0 HG2 ARG A 294 5.707 -8.240 0.455 1.00 0.00 H new ATOM 0 HG3 ARG A 294 7.342 -8.814 0.195 1.00 0.00 H new ATOM 0 HD2 ARG A 294 7.165 -10.060 2.423 1.00 0.00 H new ATOM 0 HD3 ARG A 294 5.471 -9.615 2.467 1.00 0.00 H new ATOM 0 HE ARG A 294 5.718 -10.755 -0.033 1.00 0.00 H new ATOM 0 HH11 ARG A 294 6.567 -11.821 3.243 1.00 0.00 H new ATOM 0 HH12 ARG A 294 6.366 -13.532 2.851 1.00 0.00 H new ATOM 0 HH21 ARG A 294 5.485 -12.945 -0.516 1.00 0.00 H new ATOM 0 HH22 ARG A 294 5.757 -14.165 0.733 1.00 0.00 H new ATOM 261 N GLY A 295 7.275 -7.940 4.813 1.00 0.00 N ATOM 262 CA GLY A 295 7.964 -7.938 6.093 1.00 0.00 C ATOM 263 C GLY A 295 7.082 -8.388 7.252 1.00 0.00 C ATOM 264 O GLY A 295 7.613 -8.708 8.313 1.00 0.00 O ATOM 0 H GLY A 295 7.177 -8.864 4.393 1.00 0.00 H new ATOM 0 HA2 GLY A 295 8.833 -8.593 6.031 1.00 0.00 H new ATOM 0 HA3 GLY A 295 8.335 -6.934 6.297 1.00 0.00 H new ATOM 268 N LEU A 296 5.755 -8.420 7.075 1.00 0.00 N ATOM 269 CA LEU A 296 4.877 -8.850 8.155 1.00 0.00 C ATOM 270 C LEU A 296 5.350 -10.220 8.654 1.00 0.00 C ATOM 271 O LEU A 296 5.585 -11.108 7.835 1.00 0.00 O ATOM 272 CB LEU A 296 3.410 -8.894 7.700 1.00 0.00 C ATOM 273 CG LEU A 296 2.824 -7.508 7.399 1.00 0.00 C ATOM 274 CD1 LEU A 296 1.325 -7.624 7.118 1.00 0.00 C ATOM 275 CD2 LEU A 296 2.997 -6.547 8.576 1.00 0.00 C ATOM 0 H LEU A 296 5.280 -8.158 6.211 1.00 0.00 H new ATOM 0 HA LEU A 296 4.927 -8.130 8.972 1.00 0.00 H new ATOM 0 HB2 LEU A 296 3.333 -9.515 6.807 1.00 0.00 H new ATOM 0 HB3 LEU A 296 2.811 -9.373 8.475 1.00 0.00 H new ATOM 0 HG LEU A 296 3.361 -7.120 6.533 1.00 0.00 H new ATOM 0 HD11 LEU A 296 0.917 -6.636 6.905 1.00 0.00 H new ATOM 0 HD12 LEU A 296 1.165 -8.275 6.259 1.00 0.00 H new ATOM 0 HD13 LEU A 296 0.823 -8.044 7.990 1.00 0.00 H new ATOM 0 HD21 LEU A 296 2.568 -5.578 8.320 1.00 0.00 H new ATOM 0 HD22 LEU A 296 2.488 -6.949 9.452 1.00 0.00 H new ATOM 0 HD23 LEU A 296 4.058 -6.428 8.796 1.00 0.00 H new ATOM 344 N ALA A 300 0.709 -11.016 11.610 1.00 0.00 N ATOM 345 CA ALA A 300 0.142 -9.681 11.739 1.00 0.00 C ATOM 346 C ALA A 300 -0.748 -9.394 10.533 1.00 0.00 C ATOM 347 O ALA A 300 -0.694 -10.119 9.540 1.00 0.00 O ATOM 348 CB ALA A 300 1.277 -8.661 11.843 1.00 0.00 C ATOM 0 HA ALA A 300 -0.467 -9.612 12.640 1.00 0.00 H new ATOM 0 HB1 ALA A 300 0.858 -7.659 11.940 1.00 0.00 H new ATOM 0 HB2 ALA A 300 1.888 -8.885 12.717 1.00 0.00 H new ATOM 0 HB3 ALA A 300 1.894 -8.711 10.946 1.00 0.00 H new ATOM 354 N THR A 301 -1.567 -8.341 10.608 1.00 0.00 N ATOM 355 CA THR A 301 -2.554 -8.056 9.571 1.00 0.00 C ATOM 356 C THR A 301 -2.811 -6.569 9.388 1.00 0.00 C ATOM 357 O THR A 301 -2.285 -5.718 10.101 1.00 0.00 O ATOM 358 CB THR A 301 -3.892 -8.730 9.903 1.00 0.00 C ATOM 359 OG1 THR A 301 -4.114 -8.754 11.296 1.00 0.00 O ATOM 360 CG2 THR A 301 -3.923 -10.152 9.362 1.00 0.00 C ATOM 0 H THR A 301 -1.563 -7.673 11.379 1.00 0.00 H new ATOM 0 HA THR A 301 -2.135 -8.451 8.645 1.00 0.00 H new ATOM 0 HB THR A 301 -4.682 -8.147 9.430 1.00 0.00 H new ATOM 0 HG1 THR A 301 -4.973 -9.187 11.483 1.00 0.00 H new ATOM 0 HG21 THR A 301 -4.879 -10.614 9.607 1.00 0.00 H new ATOM 0 HG22 THR A 301 -3.796 -10.132 8.280 1.00 0.00 H new ATOM 0 HG23 THR A 301 -3.115 -10.730 9.811 1.00 0.00 H new ATOM 368 N GLU A 302 -3.653 -6.288 8.393 1.00 0.00 N ATOM 369 CA GLU A 302 -4.116 -4.965 8.017 1.00 0.00 C ATOM 370 C GLU A 302 -4.506 -4.091 9.205 1.00 0.00 C ATOM 371 O GLU A 302 -4.341 -2.876 9.140 1.00 0.00 O ATOM 372 CB GLU A 302 -5.295 -5.128 7.059 1.00 0.00 C ATOM 373 CG GLU A 302 -6.594 -5.450 7.795 1.00 0.00 C ATOM 374 CD GLU A 302 -7.667 -5.956 6.833 1.00 0.00 C ATOM 375 OE1 GLU A 302 -7.638 -7.168 6.522 1.00 0.00 O ATOM 376 OE2 GLU A 302 -8.509 -5.130 6.417 1.00 0.00 O ATOM 0 H GLU A 302 -4.047 -7.019 7.801 1.00 0.00 H new ATOM 0 HA GLU A 302 -3.288 -4.444 7.537 1.00 0.00 H new ATOM 0 HB2 GLU A 302 -5.423 -4.211 6.483 1.00 0.00 H new ATOM 0 HB3 GLU A 302 -5.076 -5.924 6.347 1.00 0.00 H new ATOM 0 HG2 GLU A 302 -6.404 -6.203 8.560 1.00 0.00 H new ATOM 0 HG3 GLU A 302 -6.954 -4.558 8.308 1.00 0.00 H new ATOM 383 N ASN A 303 -5.019 -4.700 10.280 1.00 0.00 N ATOM 384 CA ASN A 303 -5.437 -3.971 11.469 1.00 0.00 C ATOM 385 C ASN A 303 -4.291 -3.176 12.098 1.00 0.00 C ATOM 386 O ASN A 303 -4.530 -2.361 12.986 1.00 0.00 O ATOM 387 CB ASN A 303 -6.061 -4.934 12.478 1.00 0.00 C ATOM 388 CG ASN A 303 -4.986 -5.664 13.263 1.00 0.00 C ATOM 389 OD1 ASN A 303 -5.089 -5.834 14.475 1.00 0.00 O ATOM 390 ND2 ASN A 303 -3.943 -6.097 12.566 1.00 0.00 N ATOM 0 H ASN A 303 -5.153 -5.709 10.344 1.00 0.00 H new ATOM 0 HA ASN A 303 -6.187 -3.241 11.165 1.00 0.00 H new ATOM 0 HB2 ASN A 303 -6.706 -4.383 13.162 1.00 0.00 H new ATOM 0 HB3 ASN A 303 -6.691 -5.656 11.957 1.00 0.00 H new ATOM 0 HD21 ASN A 303 -3.186 -6.593 13.036 1.00 0.00 H new ATOM 0 HD22 ASN A 303 -3.899 -5.934 11.560 1.00 0.00 H new ATOM 397 N ASP A 304 -3.053 -3.407 11.646 1.00 0.00 N ATOM 398 CA ASP A 304 -1.914 -2.636 12.104 1.00 0.00 C ATOM 399 C ASP A 304 -1.110 -2.050 10.945 1.00 0.00 C ATOM 400 O ASP A 304 -0.238 -1.215 11.163 1.00 0.00 O ATOM 401 CB ASP A 304 -1.048 -3.513 13.009 1.00 0.00 C ATOM 402 CG ASP A 304 -0.182 -2.680 13.956 1.00 0.00 C ATOM 403 OD1 ASP A 304 -0.697 -1.664 14.473 1.00 0.00 O ATOM 404 OD2 ASP A 304 0.990 -3.068 14.157 1.00 0.00 O ATOM 0 H ASP A 304 -2.824 -4.127 10.961 1.00 0.00 H new ATOM 0 HA ASP A 304 -2.277 -1.782 12.675 1.00 0.00 H new ATOM 0 HB2 ASP A 304 -1.688 -4.176 13.592 1.00 0.00 H new ATOM 0 HB3 ASP A 304 -0.408 -4.146 12.395 1.00 0.00 H new ATOM 409 N ILE A 305 -1.394 -2.477 9.712 1.00 0.00 N ATOM 410 CA ILE A 305 -0.756 -1.901 8.535 1.00 0.00 C ATOM 411 C ILE A 305 -1.149 -0.437 8.379 1.00 0.00 C ATOM 412 O ILE A 305 -0.281 0.422 8.239 1.00 0.00 O ATOM 413 CB ILE A 305 -1.213 -2.659 7.295 1.00 0.00 C ATOM 414 CG1 ILE A 305 -0.662 -4.087 7.328 1.00 0.00 C ATOM 415 CG2 ILE A 305 -0.763 -1.920 6.028 1.00 0.00 C ATOM 416 CD1 ILE A 305 -1.094 -4.840 6.073 1.00 0.00 C ATOM 0 H ILE A 305 -2.062 -3.220 9.507 1.00 0.00 H new ATOM 0 HA ILE A 305 0.325 -1.975 8.653 1.00 0.00 H new ATOM 0 HB ILE A 305 -2.302 -2.712 7.284 1.00 0.00 H new ATOM 0 HG12 ILE A 305 0.426 -4.065 7.393 1.00 0.00 H new ATOM 0 HG13 ILE A 305 -1.024 -4.605 8.216 1.00 0.00 H new ATOM 0 HG21 ILE A 305 -1.095 -2.471 5.148 1.00 0.00 H new ATOM 0 HG22 ILE A 305 -1.198 -0.921 6.016 1.00 0.00 H new ATOM 0 HG23 ILE A 305 0.324 -1.843 6.019 1.00 0.00 H new ATOM 0 HD11 ILE A 305 -0.698 -5.855 6.103 1.00 0.00 H new ATOM 0 HD12 ILE A 305 -2.182 -4.876 6.027 1.00 0.00 H new ATOM 0 HD13 ILE A 305 -0.710 -4.327 5.191 1.00 0.00 H new ATOM 428 N TYR A 306 -2.456 -0.145 8.405 1.00 0.00 N ATOM 429 CA TYR A 306 -2.921 1.227 8.266 1.00 0.00 C ATOM 430 C TYR A 306 -2.622 2.020 9.540 1.00 0.00 C ATOM 431 O TYR A 306 -3.058 3.160 9.684 1.00 0.00 O ATOM 432 CB TYR A 306 -4.399 1.277 7.848 1.00 0.00 C ATOM 433 CG TYR A 306 -5.402 0.714 8.833 1.00 0.00 C ATOM 434 CD1 TYR A 306 -5.784 1.477 9.946 1.00 0.00 C ATOM 435 CD2 TYR A 306 -5.958 -0.563 8.636 1.00 0.00 C ATOM 436 CE1 TYR A 306 -6.723 0.976 10.860 1.00 0.00 C ATOM 437 CE2 TYR A 306 -6.892 -1.071 9.549 1.00 0.00 C ATOM 438 CZ TYR A 306 -7.279 -0.304 10.665 1.00 0.00 C ATOM 439 OH TYR A 306 -8.189 -0.800 11.552 1.00 0.00 O ATOM 0 H TYR A 306 -3.197 -0.837 8.520 1.00 0.00 H new ATOM 0 HA TYR A 306 -2.371 1.710 7.458 1.00 0.00 H new ATOM 0 HB2 TYR A 306 -4.662 2.316 7.650 1.00 0.00 H new ATOM 0 HB3 TYR A 306 -4.505 0.737 6.907 1.00 0.00 H new ATOM 0 HD1 TYR A 306 -5.353 2.455 10.100 1.00 0.00 H new ATOM 0 HD2 TYR A 306 -5.665 -1.153 7.780 1.00 0.00 H new ATOM 0 HE1 TYR A 306 -7.019 1.570 11.712 1.00 0.00 H new ATOM 0 HE2 TYR A 306 -7.316 -2.053 9.397 1.00 0.00 H new ATOM 0 HH TYR A 306 -8.471 -1.694 11.266 1.00 0.00 H new ATOM 449 N ASN A 307 -1.873 1.405 10.464 1.00 0.00 N ATOM 450 CA ASN A 307 -1.431 2.036 11.697 1.00 0.00 C ATOM 451 C ASN A 307 0.097 2.042 11.807 1.00 0.00 C ATOM 452 O ASN A 307 0.643 2.600 12.757 1.00 0.00 O ATOM 453 CB ASN A 307 -2.058 1.282 12.866 1.00 0.00 C ATOM 454 CG ASN A 307 -3.549 1.538 12.967 1.00 0.00 C ATOM 455 OD1 ASN A 307 -4.013 2.665 12.815 1.00 0.00 O ATOM 456 ND2 ASN A 307 -4.316 0.487 13.223 1.00 0.00 N ATOM 0 H ASN A 307 -1.556 0.440 10.367 1.00 0.00 H new ATOM 0 HA ASN A 307 -1.750 3.078 11.708 1.00 0.00 H new ATOM 0 HB2 ASN A 307 -1.880 0.213 12.746 1.00 0.00 H new ATOM 0 HB3 ASN A 307 -1.574 1.584 13.795 1.00 0.00 H new ATOM 0 HD21 ASN A 307 -5.327 0.600 13.300 1.00 0.00 H new ATOM 0 HD22 ASN A 307 -3.895 -0.434 13.343 1.00 0.00 H new ATOM 463 N PHE A 308 0.784 1.427 10.839 1.00 0.00 N ATOM 464 CA PHE A 308 2.238 1.420 10.771 1.00 0.00 C ATOM 465 C PHE A 308 2.722 2.521 9.832 1.00 0.00 C ATOM 466 O PHE A 308 3.812 3.058 10.013 1.00 0.00 O ATOM 467 CB PHE A 308 2.691 0.043 10.270 1.00 0.00 C ATOM 468 CG PHE A 308 3.778 0.060 9.217 1.00 0.00 C ATOM 469 CD1 PHE A 308 5.129 0.033 9.591 1.00 0.00 C ATOM 470 CD2 PHE A 308 3.430 0.103 7.859 1.00 0.00 C ATOM 471 CE1 PHE A 308 6.129 0.041 8.607 1.00 0.00 C ATOM 472 CE2 PHE A 308 4.428 0.117 6.876 1.00 0.00 C ATOM 473 CZ PHE A 308 5.779 0.084 7.251 1.00 0.00 C ATOM 0 H PHE A 308 0.337 0.917 10.077 1.00 0.00 H new ATOM 0 HA PHE A 308 2.663 1.609 11.757 1.00 0.00 H new ATOM 0 HB2 PHE A 308 3.044 -0.537 11.123 1.00 0.00 H new ATOM 0 HB3 PHE A 308 1.825 -0.480 9.865 1.00 0.00 H new ATOM 0 HD1 PHE A 308 5.400 0.006 10.636 1.00 0.00 H new ATOM 0 HD2 PHE A 308 2.390 0.125 7.570 1.00 0.00 H new ATOM 0 HE1 PHE A 308 7.170 0.014 8.895 1.00 0.00 H new ATOM 0 HE2 PHE A 308 4.157 0.153 5.831 1.00 0.00 H new ATOM 0 HZ PHE A 308 6.550 0.092 6.494 1.00 0.00 H new ATOM 483 N PHE A 309 1.907 2.854 8.828 1.00 0.00 N ATOM 484 CA PHE A 309 2.237 3.881 7.857 1.00 0.00 C ATOM 485 C PHE A 309 2.137 5.278 8.469 1.00 0.00 C ATOM 486 O PHE A 309 3.145 5.964 8.617 1.00 0.00 O ATOM 487 CB PHE A 309 1.257 3.765 6.687 1.00 0.00 C ATOM 488 CG PHE A 309 1.759 2.945 5.523 1.00 0.00 C ATOM 489 CD1 PHE A 309 2.746 3.493 4.696 1.00 0.00 C ATOM 490 CD2 PHE A 309 1.254 1.662 5.258 1.00 0.00 C ATOM 491 CE1 PHE A 309 3.193 2.788 3.577 1.00 0.00 C ATOM 492 CE2 PHE A 309 1.719 0.946 4.144 1.00 0.00 C ATOM 493 CZ PHE A 309 2.681 1.514 3.297 1.00 0.00 C ATOM 0 H PHE A 309 1.000 2.414 8.672 1.00 0.00 H new ATOM 0 HA PHE A 309 3.264 3.737 7.521 1.00 0.00 H new ATOM 0 HB2 PHE A 309 0.329 3.325 7.051 1.00 0.00 H new ATOM 0 HB3 PHE A 309 1.017 4.767 6.331 1.00 0.00 H new ATOM 0 HD1 PHE A 309 3.163 4.463 4.924 1.00 0.00 H new ATOM 0 HD2 PHE A 309 0.510 1.227 5.909 1.00 0.00 H new ATOM 0 HE1 PHE A 309 3.935 3.226 2.926 1.00 0.00 H new ATOM 0 HE2 PHE A 309 1.336 -0.043 3.939 1.00 0.00 H new ATOM 0 HZ PHE A 309 3.027 0.971 2.430 1.00 0.00 H new ATOM 503 N SER A 310 0.911 5.679 8.817 1.00 0.00 N ATOM 504 CA SER A 310 0.573 7.024 9.266 1.00 0.00 C ATOM 505 C SER A 310 -0.806 6.980 9.926 1.00 0.00 C ATOM 506 O SER A 310 -1.490 5.962 9.828 1.00 0.00 O ATOM 507 CB SER A 310 0.512 7.939 8.037 1.00 0.00 C ATOM 508 OG SER A 310 1.809 8.240 7.571 1.00 0.00 O ATOM 0 H SER A 310 0.105 5.054 8.792 1.00 0.00 H new ATOM 0 HA SER A 310 1.314 7.395 9.974 1.00 0.00 H new ATOM 0 HB2 SER A 310 -0.060 7.455 7.246 1.00 0.00 H new ATOM 0 HB3 SER A 310 -0.011 8.861 8.290 1.00 0.00 H new ATOM 0 HG SER A 310 1.754 8.921 6.868 1.00 0.00 H new ATOM 514 N PRO A 311 -1.236 8.060 10.598 1.00 0.00 N ATOM 515 CA PRO A 311 -2.575 8.170 11.160 1.00 0.00 C ATOM 516 C PRO A 311 -3.671 8.186 10.087 1.00 0.00 C ATOM 517 O PRO A 311 -4.849 8.327 10.418 1.00 0.00 O ATOM 518 CB PRO A 311 -2.565 9.457 11.988 1.00 0.00 C ATOM 519 CG PRO A 311 -1.488 10.303 11.315 1.00 0.00 C ATOM 520 CD PRO A 311 -0.464 9.259 10.876 1.00 0.00 C ATOM 0 HA PRO A 311 -2.812 7.299 11.771 1.00 0.00 H new ATOM 0 HB2 PRO A 311 -3.535 9.954 11.970 1.00 0.00 H new ATOM 0 HB3 PRO A 311 -2.327 9.260 13.033 1.00 0.00 H new ATOM 0 HG2 PRO A 311 -1.884 10.863 10.468 1.00 0.00 H new ATOM 0 HG3 PRO A 311 -1.056 11.030 12.003 1.00 0.00 H new ATOM 0 HD2 PRO A 311 0.081 9.590 9.992 1.00 0.00 H new ATOM 0 HD3 PRO A 311 0.275 9.079 11.657 1.00 0.00 H new ATOM 528 N LEU A 312 -3.299 8.044 8.808 1.00 0.00 N ATOM 529 CA LEU A 312 -4.216 7.902 7.693 1.00 0.00 C ATOM 530 C LEU A 312 -5.294 6.855 7.946 1.00 0.00 C ATOM 531 O LEU A 312 -5.111 5.905 8.707 1.00 0.00 O ATOM 532 CB LEU A 312 -3.394 7.495 6.470 1.00 0.00 C ATOM 533 CG LEU A 312 -2.955 8.675 5.604 1.00 0.00 C ATOM 534 CD1 LEU A 312 -2.542 9.926 6.372 1.00 0.00 C ATOM 535 CD2 LEU A 312 -1.783 8.225 4.739 1.00 0.00 C ATOM 0 H LEU A 312 -2.320 8.025 8.523 1.00 0.00 H new ATOM 0 HA LEU A 312 -4.729 8.852 7.543 1.00 0.00 H new ATOM 0 HB2 LEU A 312 -2.510 6.951 6.802 1.00 0.00 H new ATOM 0 HB3 LEU A 312 -3.981 6.808 5.861 1.00 0.00 H new ATOM 0 HG LEU A 312 -3.829 8.962 5.020 1.00 0.00 H new ATOM 0 HD11 LEU A 312 -2.248 10.705 5.668 1.00 0.00 H new ATOM 0 HD12 LEU A 312 -3.381 10.278 6.973 1.00 0.00 H new ATOM 0 HD13 LEU A 312 -1.701 9.691 7.025 1.00 0.00 H new ATOM 0 HD21 LEU A 312 -1.454 9.054 4.112 1.00 0.00 H new ATOM 0 HD22 LEU A 312 -0.960 7.905 5.379 1.00 0.00 H new ATOM 0 HD23 LEU A 312 -2.095 7.394 4.107 1.00 0.00 H new ATOM 547 N ASN A 313 -6.429 7.060 7.280 1.00 0.00 N ATOM 548 CA ASN A 313 -7.608 6.223 7.363 1.00 0.00 C ATOM 549 C ASN A 313 -7.353 4.838 6.760 1.00 0.00 C ATOM 550 O ASN A 313 -6.418 4.662 5.982 1.00 0.00 O ATOM 551 CB ASN A 313 -8.712 6.970 6.613 1.00 0.00 C ATOM 552 CG ASN A 313 -9.014 8.310 7.261 1.00 0.00 C ATOM 553 OD1 ASN A 313 -9.085 8.425 8.481 1.00 0.00 O ATOM 554 ND2 ASN A 313 -9.194 9.339 6.440 1.00 0.00 N ATOM 0 H ASN A 313 -6.550 7.848 6.644 1.00 0.00 H new ATOM 0 HA ASN A 313 -7.893 6.044 8.400 1.00 0.00 H new ATOM 0 HB2 ASN A 313 -8.410 7.125 5.577 1.00 0.00 H new ATOM 0 HB3 ASN A 313 -9.616 6.362 6.593 1.00 0.00 H new ATOM 0 HD21 ASN A 313 -9.399 10.264 6.819 1.00 0.00 H new ATOM 0 HD22 ASN A 313 -9.127 9.204 5.431 1.00 0.00 H new ATOM 561 N PRO A 314 -8.184 3.848 7.117 1.00 0.00 N ATOM 562 CA PRO A 314 -8.054 2.457 6.707 1.00 0.00 C ATOM 563 C PRO A 314 -8.642 2.202 5.319 1.00 0.00 C ATOM 564 O PRO A 314 -8.857 1.053 4.935 1.00 0.00 O ATOM 565 CB PRO A 314 -8.815 1.694 7.781 1.00 0.00 C ATOM 566 CG PRO A 314 -9.980 2.629 8.092 1.00 0.00 C ATOM 567 CD PRO A 314 -9.337 4.012 7.984 1.00 0.00 C ATOM 0 HA PRO A 314 -7.012 2.150 6.622 1.00 0.00 H new ATOM 0 HB2 PRO A 314 -9.159 0.724 7.422 1.00 0.00 H new ATOM 0 HB3 PRO A 314 -8.198 1.509 8.660 1.00 0.00 H new ATOM 0 HG2 PRO A 314 -10.799 2.506 7.383 1.00 0.00 H new ATOM 0 HG3 PRO A 314 -10.390 2.449 9.086 1.00 0.00 H new ATOM 0 HD2 PRO A 314 -10.037 4.737 7.570 1.00 0.00 H new ATOM 0 HD3 PRO A 314 -9.039 4.382 8.965 1.00 0.00 H new ATOM 575 N VAL A 315 -8.901 3.278 4.573 1.00 0.00 N ATOM 576 CA VAL A 315 -9.442 3.260 3.211 1.00 0.00 C ATOM 577 C VAL A 315 -8.576 2.485 2.214 1.00 0.00 C ATOM 578 O VAL A 315 -8.855 2.528 1.017 1.00 0.00 O ATOM 579 CB VAL A 315 -9.557 4.698 2.672 1.00 0.00 C ATOM 580 CG1 VAL A 315 -10.490 5.577 3.498 1.00 0.00 C ATOM 581 CG2 VAL A 315 -8.188 5.384 2.632 1.00 0.00 C ATOM 0 H VAL A 315 -8.733 4.224 4.915 1.00 0.00 H new ATOM 0 HA VAL A 315 -10.410 2.765 3.292 1.00 0.00 H new ATOM 0 HB VAL A 315 -9.970 4.593 1.669 1.00 0.00 H new ATOM 0 HG11 VAL A 315 -10.526 6.577 3.065 1.00 0.00 H new ATOM 0 HG12 VAL A 315 -11.491 5.145 3.499 1.00 0.00 H new ATOM 0 HG13 VAL A 315 -10.121 5.638 4.522 1.00 0.00 H new ATOM 0 HG21 VAL A 315 -8.300 6.398 2.247 1.00 0.00 H new ATOM 0 HG22 VAL A 315 -7.770 5.422 3.638 1.00 0.00 H new ATOM 0 HG23 VAL A 315 -7.518 4.821 1.982 1.00 0.00 H new ATOM 591 N ARG A 316 -7.535 1.781 2.669 1.00 0.00 N ATOM 592 CA ARG A 316 -6.439 1.430 1.779 1.00 0.00 C ATOM 593 C ARG A 316 -5.805 0.059 1.987 1.00 0.00 C ATOM 594 O ARG A 316 -5.002 -0.344 1.151 1.00 0.00 O ATOM 595 CB ARG A 316 -5.379 2.525 1.945 1.00 0.00 C ATOM 596 CG ARG A 316 -4.949 2.667 3.413 1.00 0.00 C ATOM 597 CD ARG A 316 -4.049 3.889 3.570 1.00 0.00 C ATOM 598 NE ARG A 316 -3.852 4.197 4.990 1.00 0.00 N ATOM 599 CZ ARG A 316 -2.744 3.940 5.686 1.00 0.00 C ATOM 600 NH1 ARG A 316 -1.700 3.348 5.110 1.00 0.00 N ATOM 601 NH2 ARG A 316 -2.682 4.278 6.970 1.00 0.00 N ATOM 0 H ARG A 316 -7.434 1.451 3.629 1.00 0.00 H new ATOM 0 HA ARG A 316 -6.854 1.364 0.773 1.00 0.00 H new ATOM 0 HB2 ARG A 316 -4.510 2.289 1.330 1.00 0.00 H new ATOM 0 HB3 ARG A 316 -5.775 3.475 1.586 1.00 0.00 H new ATOM 0 HG2 ARG A 316 -5.827 2.766 4.051 1.00 0.00 H new ATOM 0 HG3 ARG A 316 -4.420 1.770 3.735 1.00 0.00 H new ATOM 0 HD2 ARG A 316 -3.086 3.703 3.094 1.00 0.00 H new ATOM 0 HD3 ARG A 316 -4.495 4.745 3.064 1.00 0.00 H new ATOM 0 HE ARG A 316 -4.624 4.643 5.485 1.00 0.00 H new ATOM 0 HH11 ARG A 316 -1.742 3.086 4.125 1.00 0.00 H new ATOM 0 HH12 ARG A 316 -0.858 3.157 5.653 1.00 0.00 H new ATOM 0 HH21 ARG A 316 -3.479 4.731 7.417 1.00 0.00 H new ATOM 0 HH22 ARG A 316 -1.837 4.084 7.508 1.00 0.00 H new ATOM 615 N VAL A 317 -6.116 -0.680 3.051 1.00 0.00 N ATOM 616 CA VAL A 317 -5.417 -1.945 3.268 1.00 0.00 C ATOM 617 C VAL A 317 -5.847 -3.042 2.297 1.00 0.00 C ATOM 618 O VAL A 317 -6.964 -3.033 1.780 1.00 0.00 O ATOM 619 CB VAL A 317 -5.568 -2.442 4.700 1.00 0.00 C ATOM 620 CG1 VAL A 317 -4.471 -1.785 5.532 1.00 0.00 C ATOM 621 CG2 VAL A 317 -6.948 -2.159 5.290 1.00 0.00 C ATOM 0 H VAL A 317 -6.818 -0.439 3.750 1.00 0.00 H new ATOM 0 HA VAL A 317 -4.366 -1.726 3.078 1.00 0.00 H new ATOM 0 HB VAL A 317 -5.470 -3.528 4.710 1.00 0.00 H new ATOM 0 HG11 VAL A 317 -4.549 -2.119 6.566 1.00 0.00 H new ATOM 0 HG12 VAL A 317 -3.496 -2.064 5.133 1.00 0.00 H new ATOM 0 HG13 VAL A 317 -4.583 -0.702 5.492 1.00 0.00 H new ATOM 0 HG21 VAL A 317 -6.992 -2.537 6.311 1.00 0.00 H new ATOM 0 HG22 VAL A 317 -7.129 -1.084 5.293 1.00 0.00 H new ATOM 0 HG23 VAL A 317 -7.710 -2.653 4.687 1.00 0.00 H new ATOM 631 N HIS A 318 -4.934 -3.991 2.060 1.00 0.00 N ATOM 632 CA HIS A 318 -5.164 -5.169 1.241 1.00 0.00 C ATOM 633 C HIS A 318 -4.163 -6.262 1.617 1.00 0.00 C ATOM 634 O HIS A 318 -3.077 -5.962 2.108 1.00 0.00 O ATOM 635 CB HIS A 318 -4.957 -4.794 -0.221 1.00 0.00 C ATOM 636 CG HIS A 318 -5.358 -5.898 -1.159 1.00 0.00 C ATOM 637 ND1 HIS A 318 -4.612 -6.420 -2.191 1.00 0.00 N ATOM 638 CD2 HIS A 318 -6.547 -6.571 -1.135 1.00 0.00 C ATOM 639 CE1 HIS A 318 -5.344 -7.387 -2.773 1.00 0.00 C ATOM 640 NE2 HIS A 318 -6.537 -7.517 -2.165 1.00 0.00 N ATOM 0 H HIS A 318 -3.991 -3.952 2.447 1.00 0.00 H new ATOM 0 HA HIS A 318 -6.178 -5.535 1.401 1.00 0.00 H new ATOM 0 HB2 HIS A 318 -5.536 -3.899 -0.449 1.00 0.00 H new ATOM 0 HB3 HIS A 318 -3.908 -4.545 -0.384 1.00 0.00 H new ATOM 0 HD2 HIS A 318 -7.356 -6.401 -0.440 1.00 0.00 H new ATOM 0 HE1 HIS A 318 -5.018 -7.979 -3.615 1.00 0.00 H new ATOM 0 HE2 HIS A 318 -7.282 -8.171 -2.406 1.00 0.00 H new ATOM 648 N ILE A 319 -4.525 -7.528 1.386 1.00 0.00 N ATOM 649 CA ILE A 319 -3.676 -8.671 1.707 1.00 0.00 C ATOM 650 C ILE A 319 -3.905 -9.762 0.666 1.00 0.00 C ATOM 651 O ILE A 319 -5.046 -10.041 0.301 1.00 0.00 O ATOM 652 CB ILE A 319 -4.009 -9.181 3.115 1.00 0.00 C ATOM 653 CG1 ILE A 319 -3.677 -8.086 4.136 1.00 0.00 C ATOM 654 CG2 ILE A 319 -3.216 -10.456 3.424 1.00 0.00 C ATOM 655 CD1 ILE A 319 -3.969 -8.517 5.566 1.00 0.00 C ATOM 0 H ILE A 319 -5.420 -7.786 0.969 1.00 0.00 H new ATOM 0 HA ILE A 319 -2.626 -8.378 1.690 1.00 0.00 H new ATOM 0 HB ILE A 319 -5.071 -9.421 3.171 1.00 0.00 H new ATOM 0 HG12 ILE A 319 -2.624 -7.819 4.048 1.00 0.00 H new ATOM 0 HG13 ILE A 319 -4.254 -7.191 3.905 1.00 0.00 H new ATOM 0 HG21 ILE A 319 -3.464 -10.805 4.427 1.00 0.00 H new ATOM 0 HG22 ILE A 319 -3.471 -11.228 2.698 1.00 0.00 H new ATOM 0 HG23 ILE A 319 -2.148 -10.243 3.367 1.00 0.00 H new ATOM 0 HD11 ILE A 319 -3.717 -7.706 6.249 1.00 0.00 H new ATOM 0 HD12 ILE A 319 -5.027 -8.758 5.664 1.00 0.00 H new ATOM 0 HD13 ILE A 319 -3.372 -9.396 5.810 1.00 0.00 H new ATOM 667 N GLU A 320 -2.821 -10.380 0.186 1.00 0.00 N ATOM 668 CA GLU A 320 -2.902 -11.361 -0.886 1.00 0.00 C ATOM 669 C GLU A 320 -1.613 -12.178 -1.000 1.00 0.00 C ATOM 670 O GLU A 320 -0.555 -11.738 -0.556 1.00 0.00 O ATOM 671 CB GLU A 320 -3.154 -10.584 -2.186 1.00 0.00 C ATOM 672 CG GLU A 320 -3.245 -11.491 -3.413 1.00 0.00 C ATOM 673 CD GLU A 320 -3.656 -10.694 -4.649 1.00 0.00 C ATOM 674 OE1 GLU A 320 -4.881 -10.566 -4.875 1.00 0.00 O ATOM 675 OE2 GLU A 320 -2.743 -10.216 -5.359 1.00 0.00 O ATOM 0 H GLU A 320 -1.875 -10.213 0.529 1.00 0.00 H new ATOM 0 HA GLU A 320 -3.706 -12.069 -0.684 1.00 0.00 H new ATOM 0 HB2 GLU A 320 -4.080 -10.017 -2.091 1.00 0.00 H new ATOM 0 HB3 GLU A 320 -2.351 -9.862 -2.333 1.00 0.00 H new ATOM 0 HG2 GLU A 320 -2.282 -11.971 -3.588 1.00 0.00 H new ATOM 0 HG3 GLU A 320 -3.968 -12.286 -3.230 1.00 0.00 H new ATOM 817 N ALA A 331 1.173 -8.246 1.376 1.00 0.00 N ATOM 818 CA ALA A 331 0.171 -7.200 1.433 1.00 0.00 C ATOM 819 C ALA A 331 0.459 -6.062 0.466 1.00 0.00 C ATOM 820 O ALA A 331 1.551 -5.941 -0.087 1.00 0.00 O ATOM 821 CB ALA A 331 0.117 -6.668 2.866 1.00 0.00 C ATOM 0 HA ALA A 331 -0.788 -7.625 1.136 1.00 0.00 H new ATOM 0 HB1 ALA A 331 -0.631 -5.878 2.933 1.00 0.00 H new ATOM 0 HB2 ALA A 331 -0.148 -7.478 3.545 1.00 0.00 H new ATOM 0 HB3 ALA A 331 1.092 -6.268 3.142 1.00 0.00 H new ATOM 827 N ASP A 332 -0.556 -5.223 0.275 1.00 0.00 N ATOM 828 CA ASP A 332 -0.457 -3.999 -0.495 1.00 0.00 C ATOM 829 C ASP A 332 -1.310 -2.933 0.182 1.00 0.00 C ATOM 830 O ASP A 332 -2.074 -3.227 1.102 1.00 0.00 O ATOM 831 CB ASP A 332 -0.955 -4.230 -1.925 1.00 0.00 C ATOM 832 CG ASP A 332 -0.171 -5.323 -2.645 1.00 0.00 C ATOM 833 OD1 ASP A 332 0.935 -5.009 -3.138 1.00 0.00 O ATOM 834 OD2 ASP A 332 -0.685 -6.463 -2.695 1.00 0.00 O ATOM 0 H ASP A 332 -1.486 -5.384 0.661 1.00 0.00 H new ATOM 0 HA ASP A 332 0.583 -3.676 -0.541 1.00 0.00 H new ATOM 0 HB2 ASP A 332 -2.011 -4.501 -1.900 1.00 0.00 H new ATOM 0 HB3 ASP A 332 -0.878 -3.300 -2.488 1.00 0.00 H new ATOM 839 N VAL A 333 -1.180 -1.689 -0.273 1.00 0.00 N ATOM 840 CA VAL A 333 -1.999 -0.599 0.221 1.00 0.00 C ATOM 841 C VAL A 333 -2.475 0.228 -0.970 1.00 0.00 C ATOM 842 O VAL A 333 -1.800 0.280 -1.996 1.00 0.00 O ATOM 843 CB VAL A 333 -1.209 0.202 1.263 1.00 0.00 C ATOM 844 CG1 VAL A 333 0.052 0.812 0.662 1.00 0.00 C ATOM 845 CG2 VAL A 333 -2.048 1.320 1.870 1.00 0.00 C ATOM 0 H VAL A 333 -0.507 -1.415 -0.989 1.00 0.00 H new ATOM 0 HA VAL A 333 -2.890 -0.962 0.733 1.00 0.00 H new ATOM 0 HB VAL A 333 -0.933 -0.506 2.045 1.00 0.00 H new ATOM 0 HG11 VAL A 333 0.586 1.372 1.429 1.00 0.00 H new ATOM 0 HG12 VAL A 333 0.693 0.018 0.279 1.00 0.00 H new ATOM 0 HG13 VAL A 333 -0.221 1.482 -0.153 1.00 0.00 H new ATOM 0 HG21 VAL A 333 -1.453 1.864 2.603 1.00 0.00 H new ATOM 0 HG22 VAL A 333 -2.368 2.003 1.083 1.00 0.00 H new ATOM 0 HG23 VAL A 333 -2.924 0.893 2.358 1.00 0.00 H new ATOM 855 N GLU A 334 -3.636 0.870 -0.832 1.00 0.00 N ATOM 856 CA GLU A 334 -4.322 1.560 -1.915 1.00 0.00 C ATOM 857 C GLU A 334 -4.776 2.945 -1.451 1.00 0.00 C ATOM 858 O GLU A 334 -5.967 3.203 -1.288 1.00 0.00 O ATOM 859 CB GLU A 334 -5.506 0.722 -2.406 1.00 0.00 C ATOM 860 CG GLU A 334 -5.040 -0.627 -2.955 1.00 0.00 C ATOM 861 CD GLU A 334 -6.215 -1.408 -3.537 1.00 0.00 C ATOM 862 OE1 GLU A 334 -6.951 -2.029 -2.738 1.00 0.00 O ATOM 863 OE2 GLU A 334 -6.369 -1.379 -4.779 1.00 0.00 O ATOM 0 H GLU A 334 -4.133 0.923 0.057 1.00 0.00 H new ATOM 0 HA GLU A 334 -3.634 1.693 -2.750 1.00 0.00 H new ATOM 0 HB2 GLU A 334 -6.206 0.561 -1.586 1.00 0.00 H new ATOM 0 HB3 GLU A 334 -6.044 1.267 -3.182 1.00 0.00 H new ATOM 0 HG2 GLU A 334 -4.284 -0.470 -3.725 1.00 0.00 H new ATOM 0 HG3 GLU A 334 -4.570 -1.206 -2.160 1.00 0.00 H new ATOM 870 N PHE A 335 -3.802 3.833 -1.239 1.00 0.00 N ATOM 871 CA PHE A 335 -4.025 5.186 -0.760 1.00 0.00 C ATOM 872 C PHE A 335 -5.001 5.978 -1.629 1.00 0.00 C ATOM 873 O PHE A 335 -5.156 5.725 -2.826 1.00 0.00 O ATOM 874 CB PHE A 335 -2.690 5.925 -0.738 1.00 0.00 C ATOM 875 CG PHE A 335 -1.676 5.360 0.229 1.00 0.00 C ATOM 876 CD1 PHE A 335 -1.814 5.605 1.602 1.00 0.00 C ATOM 877 CD2 PHE A 335 -0.598 4.596 -0.241 1.00 0.00 C ATOM 878 CE1 PHE A 335 -0.867 5.103 2.503 1.00 0.00 C ATOM 879 CE2 PHE A 335 0.344 4.089 0.661 1.00 0.00 C ATOM 880 CZ PHE A 335 0.211 4.341 2.034 1.00 0.00 C ATOM 0 H PHE A 335 -2.818 3.620 -1.401 1.00 0.00 H new ATOM 0 HA PHE A 335 -4.463 5.106 0.235 1.00 0.00 H new ATOM 0 HB2 PHE A 335 -2.264 5.909 -1.741 1.00 0.00 H new ATOM 0 HB3 PHE A 335 -2.872 6.970 -0.485 1.00 0.00 H new ATOM 0 HD1 PHE A 335 -2.652 6.182 1.965 1.00 0.00 H new ATOM 0 HD2 PHE A 335 -0.495 4.399 -1.298 1.00 0.00 H new ATOM 0 HE1 PHE A 335 -0.968 5.303 3.559 1.00 0.00 H new ATOM 0 HE2 PHE A 335 1.175 3.502 0.299 1.00 0.00 H new ATOM 0 HZ PHE A 335 0.939 3.948 2.729 1.00 0.00 H new ATOM 890 N ALA A 336 -5.658 6.952 -0.994 1.00 0.00 N ATOM 891 CA ALA A 336 -6.500 7.919 -1.670 1.00 0.00 C ATOM 892 C ALA A 336 -5.599 9.010 -2.258 1.00 0.00 C ATOM 893 O ALA A 336 -5.067 9.848 -1.529 1.00 0.00 O ATOM 894 CB ALA A 336 -7.507 8.489 -0.665 1.00 0.00 C ATOM 0 H ALA A 336 -5.614 7.085 0.016 1.00 0.00 H new ATOM 0 HA ALA A 336 -7.063 7.460 -2.483 1.00 0.00 H new ATOM 0 HB1 ALA A 336 -8.146 9.218 -1.164 1.00 0.00 H new ATOM 0 HB2 ALA A 336 -8.121 7.681 -0.267 1.00 0.00 H new ATOM 0 HB3 ALA A 336 -6.972 8.974 0.151 1.00 0.00 H new ATOM 900 N THR A 337 -5.440 8.984 -3.585 1.00 0.00 N ATOM 901 CA THR A 337 -4.589 9.881 -4.365 1.00 0.00 C ATOM 902 C THR A 337 -3.112 9.664 -4.057 1.00 0.00 C ATOM 903 O THR A 337 -2.747 9.049 -3.056 1.00 0.00 O ATOM 904 CB THR A 337 -4.963 11.361 -4.200 1.00 0.00 C ATOM 905 OG1 THR A 337 -4.529 11.862 -2.958 1.00 0.00 O ATOM 906 CG2 THR A 337 -6.464 11.604 -4.345 1.00 0.00 C ATOM 0 H THR A 337 -5.925 8.304 -4.170 1.00 0.00 H new ATOM 0 HA THR A 337 -4.766 9.623 -5.409 1.00 0.00 H new ATOM 0 HB THR A 337 -4.453 11.892 -5.004 1.00 0.00 H new ATOM 0 HG1 THR A 337 -4.521 11.138 -2.298 1.00 0.00 H new ATOM 0 HG21 THR A 337 -6.674 12.666 -4.220 1.00 0.00 H new ATOM 0 HG22 THR A 337 -6.791 11.284 -5.334 1.00 0.00 H new ATOM 0 HG23 THR A 337 -7.000 11.036 -3.585 1.00 0.00 H new ATOM 914 N HIS A 338 -2.249 10.181 -4.934 1.00 0.00 N ATOM 915 CA HIS A 338 -0.814 10.092 -4.738 1.00 0.00 C ATOM 916 C HIS A 338 -0.383 10.972 -3.564 1.00 0.00 C ATOM 917 O HIS A 338 0.700 10.788 -3.016 1.00 0.00 O ATOM 918 CB HIS A 338 -0.114 10.523 -6.026 1.00 0.00 C ATOM 919 CG HIS A 338 1.376 10.321 -5.982 1.00 0.00 C ATOM 920 ND1 HIS A 338 2.039 9.117 -5.929 1.00 0.00 N ATOM 921 CD2 HIS A 338 2.323 11.309 -5.986 1.00 0.00 C ATOM 922 CE1 HIS A 338 3.357 9.379 -5.914 1.00 0.00 C ATOM 923 NE2 HIS A 338 3.584 10.704 -5.952 1.00 0.00 N ATOM 0 H HIS A 338 -2.527 10.666 -5.787 1.00 0.00 H new ATOM 0 HA HIS A 338 -0.536 9.065 -4.503 1.00 0.00 H new ATOM 0 HB2 HIS A 338 -0.527 9.960 -6.863 1.00 0.00 H new ATOM 0 HB3 HIS A 338 -0.327 11.575 -6.214 1.00 0.00 H new ATOM 0 HD2 HIS A 338 2.130 12.371 -6.011 1.00 0.00 H new ATOM 0 HE1 HIS A 338 4.130 8.626 -5.876 1.00 0.00 H new ATOM 0 HE2 HIS A 338 4.490 11.172 -5.955 1.00 0.00 H new ATOM 931 N GLU A 339 -1.228 11.930 -3.173 1.00 0.00 N ATOM 932 CA GLU A 339 -0.924 12.847 -2.087 1.00 0.00 C ATOM 933 C GLU A 339 -0.960 12.135 -0.741 1.00 0.00 C ATOM 934 O GLU A 339 -0.108 12.381 0.109 1.00 0.00 O ATOM 935 CB GLU A 339 -1.933 13.994 -2.100 1.00 0.00 C ATOM 936 CG GLU A 339 -1.742 14.810 -3.377 1.00 0.00 C ATOM 937 CD GLU A 339 -2.709 15.991 -3.429 1.00 0.00 C ATOM 938 OE1 GLU A 339 -2.426 16.999 -2.745 1.00 0.00 O ATOM 939 OE2 GLU A 339 -3.723 15.877 -4.152 1.00 0.00 O ATOM 0 H GLU A 339 -2.139 12.086 -3.604 1.00 0.00 H new ATOM 0 HA GLU A 339 0.083 13.239 -2.231 1.00 0.00 H new ATOM 0 HB2 GLU A 339 -2.949 13.602 -2.052 1.00 0.00 H new ATOM 0 HB3 GLU A 339 -1.794 14.628 -1.224 1.00 0.00 H new ATOM 0 HG2 GLU A 339 -0.716 15.174 -3.429 1.00 0.00 H new ATOM 0 HG3 GLU A 339 -1.897 14.171 -4.246 1.00 0.00 H new ATOM 946 N GLU A 340 -1.938 11.248 -0.533 1.00 0.00 N ATOM 947 CA GLU A 340 -1.960 10.439 0.677 1.00 0.00 C ATOM 948 C GLU A 340 -0.818 9.420 0.626 1.00 0.00 C ATOM 949 O GLU A 340 -0.257 9.055 1.660 1.00 0.00 O ATOM 950 CB GLU A 340 -3.319 9.750 0.780 1.00 0.00 C ATOM 951 CG GLU A 340 -3.490 9.062 2.130 1.00 0.00 C ATOM 952 CD GLU A 340 -4.868 8.417 2.247 1.00 0.00 C ATOM 953 OE1 GLU A 340 -5.012 7.272 1.761 1.00 0.00 O ATOM 954 OE2 GLU A 340 -5.767 9.071 2.821 1.00 0.00 O ATOM 0 H GLU A 340 -2.710 11.078 -1.178 1.00 0.00 H new ATOM 0 HA GLU A 340 -1.817 11.061 1.561 1.00 0.00 H new ATOM 0 HB2 GLU A 340 -4.113 10.484 0.640 1.00 0.00 H new ATOM 0 HB3 GLU A 340 -3.419 9.016 -0.020 1.00 0.00 H new ATOM 0 HG2 GLU A 340 -2.718 8.303 2.255 1.00 0.00 H new ATOM 0 HG3 GLU A 340 -3.356 9.788 2.932 1.00 0.00 H new ATOM 961 N ALA A 341 -0.468 8.952 -0.577 1.00 0.00 N ATOM 962 CA ALA A 341 0.591 7.966 -0.729 1.00 0.00 C ATOM 963 C ALA A 341 1.946 8.532 -0.307 1.00 0.00 C ATOM 964 O ALA A 341 2.697 7.861 0.401 1.00 0.00 O ATOM 965 CB ALA A 341 0.632 7.484 -2.180 1.00 0.00 C ATOM 0 H ALA A 341 -0.904 9.243 -1.452 1.00 0.00 H new ATOM 0 HA ALA A 341 0.377 7.121 -0.074 1.00 0.00 H new ATOM 0 HB1 ALA A 341 1.425 6.745 -2.296 1.00 0.00 H new ATOM 0 HB2 ALA A 341 -0.325 7.033 -2.441 1.00 0.00 H new ATOM 0 HB3 ALA A 341 0.826 8.330 -2.839 1.00 0.00 H new ATOM 971 N VAL A 342 2.278 9.759 -0.726 1.00 0.00 N ATOM 972 CA VAL A 342 3.532 10.380 -0.309 1.00 0.00 C ATOM 973 C VAL A 342 3.443 10.870 1.133 1.00 0.00 C ATOM 974 O VAL A 342 4.471 11.038 1.787 1.00 0.00 O ATOM 975 CB VAL A 342 3.921 11.534 -1.237 1.00 0.00 C ATOM 976 CG1 VAL A 342 4.057 11.038 -2.675 1.00 0.00 C ATOM 977 CG2 VAL A 342 2.900 12.667 -1.176 1.00 0.00 C ATOM 0 H VAL A 342 1.703 10.331 -1.344 1.00 0.00 H new ATOM 0 HA VAL A 342 4.309 9.618 -0.372 1.00 0.00 H new ATOM 0 HB VAL A 342 4.881 11.921 -0.897 1.00 0.00 H new ATOM 0 HG11 VAL A 342 4.334 11.870 -3.322 1.00 0.00 H new ATOM 0 HG12 VAL A 342 4.828 10.269 -2.723 1.00 0.00 H new ATOM 0 HG13 VAL A 342 3.107 10.621 -3.007 1.00 0.00 H new ATOM 0 HG21 VAL A 342 3.207 13.470 -1.847 1.00 0.00 H new ATOM 0 HG22 VAL A 342 1.923 12.293 -1.481 1.00 0.00 H new ATOM 0 HG23 VAL A 342 2.840 13.049 -0.157 1.00 0.00 H new ATOM 987 N ALA A 343 2.226 11.100 1.639 1.00 0.00 N ATOM 988 CA ALA A 343 2.029 11.478 3.029 1.00 0.00 C ATOM 989 C ALA A 343 2.274 10.279 3.948 1.00 0.00 C ATOM 990 O ALA A 343 2.306 10.430 5.169 1.00 0.00 O ATOM 991 CB ALA A 343 0.615 12.024 3.223 1.00 0.00 C ATOM 0 H ALA A 343 1.364 11.029 1.098 1.00 0.00 H new ATOM 0 HA ALA A 343 2.745 12.258 3.289 1.00 0.00 H new ATOM 0 HB1 ALA A 343 0.474 12.305 4.267 1.00 0.00 H new ATOM 0 HB2 ALA A 343 0.473 12.899 2.589 1.00 0.00 H new ATOM 0 HB3 ALA A 343 -0.111 11.258 2.952 1.00 0.00 H new ATOM 997 N ALA A 344 2.449 9.092 3.358 1.00 0.00 N ATOM 998 CA ALA A 344 2.779 7.884 4.096 1.00 0.00 C ATOM 999 C ALA A 344 4.146 7.321 3.688 1.00 0.00 C ATOM 1000 O ALA A 344 4.642 6.394 4.326 1.00 0.00 O ATOM 1001 CB ALA A 344 1.669 6.864 3.861 1.00 0.00 C ATOM 0 H ALA A 344 2.364 8.949 2.352 1.00 0.00 H new ATOM 0 HA ALA A 344 2.851 8.118 5.158 1.00 0.00 H new ATOM 0 HB1 ALA A 344 1.896 5.948 4.406 1.00 0.00 H new ATOM 0 HB2 ALA A 344 0.721 7.271 4.213 1.00 0.00 H new ATOM 0 HB3 ALA A 344 1.597 6.644 2.796 1.00 0.00 H new ATOM 1007 N MET A 345 4.760 7.869 2.632 1.00 0.00 N ATOM 1008 CA MET A 345 6.087 7.451 2.201 1.00 0.00 C ATOM 1009 C MET A 345 7.158 8.106 3.073 1.00 0.00 C ATOM 1010 O MET A 345 7.659 9.186 2.762 1.00 0.00 O ATOM 1011 CB MET A 345 6.280 7.770 0.715 1.00 0.00 C ATOM 1012 CG MET A 345 7.718 7.518 0.255 1.00 0.00 C ATOM 1013 SD MET A 345 8.557 6.083 0.984 1.00 0.00 S ATOM 1014 CE MET A 345 7.542 4.724 0.358 1.00 0.00 C ATOM 0 H MET A 345 4.350 8.608 2.061 1.00 0.00 H new ATOM 0 HA MET A 345 6.186 6.372 2.322 1.00 0.00 H new ATOM 0 HB2 MET A 345 5.598 7.161 0.122 1.00 0.00 H new ATOM 0 HB3 MET A 345 6.018 8.812 0.531 1.00 0.00 H new ATOM 0 HG2 MET A 345 7.714 7.398 -0.828 1.00 0.00 H new ATOM 0 HG3 MET A 345 8.308 8.407 0.475 1.00 0.00 H new ATOM 0 HE1 MET A 345 8.024 3.774 0.588 1.00 0.00 H new ATOM 0 HE2 MET A 345 6.560 4.756 0.830 1.00 0.00 H new ATOM 0 HE3 MET A 345 7.429 4.822 -0.722 1.00 0.00 H new ATOM 1024 N SER A 346 7.506 7.438 4.176 1.00 0.00 N ATOM 1025 CA SER A 346 8.553 7.884 5.085 1.00 0.00 C ATOM 1026 C SER A 346 9.108 6.696 5.879 1.00 0.00 C ATOM 1027 O SER A 346 9.739 6.883 6.918 1.00 0.00 O ATOM 1028 CB SER A 346 7.972 8.943 6.024 1.00 0.00 C ATOM 1029 OG SER A 346 8.994 9.539 6.795 1.00 0.00 O ATOM 0 H SER A 346 7.062 6.565 4.461 1.00 0.00 H new ATOM 0 HA SER A 346 9.376 8.319 4.518 1.00 0.00 H new ATOM 0 HB2 SER A 346 7.455 9.707 5.443 1.00 0.00 H new ATOM 0 HB3 SER A 346 7.232 8.487 6.682 1.00 0.00 H new ATOM 0 HG SER A 346 9.610 8.846 7.112 1.00 0.00 H new ATOM 1035 N LYS A 347 8.872 5.470 5.393 1.00 0.00 N ATOM 1036 CA LYS A 347 9.186 4.247 6.122 1.00 0.00 C ATOM 1037 C LYS A 347 9.690 3.137 5.200 1.00 0.00 C ATOM 1038 O LYS A 347 9.469 1.966 5.497 1.00 0.00 O ATOM 1039 CB LYS A 347 7.938 3.781 6.879 1.00 0.00 C ATOM 1040 CG LYS A 347 7.603 4.764 7.999 1.00 0.00 C ATOM 1041 CD LYS A 347 6.560 4.144 8.926 1.00 0.00 C ATOM 1042 CE LYS A 347 6.345 5.031 10.149 1.00 0.00 C ATOM 1043 NZ LYS A 347 5.705 6.311 9.789 1.00 0.00 N ATOM 0 H LYS A 347 8.455 5.304 4.477 1.00 0.00 H new ATOM 0 HA LYS A 347 9.991 4.467 6.823 1.00 0.00 H new ATOM 0 HB2 LYS A 347 7.096 3.701 6.192 1.00 0.00 H new ATOM 0 HB3 LYS A 347 8.106 2.788 7.295 1.00 0.00 H new ATOM 0 HG2 LYS A 347 8.503 5.012 8.561 1.00 0.00 H new ATOM 0 HG3 LYS A 347 7.224 5.695 7.578 1.00 0.00 H new ATOM 0 HD2 LYS A 347 5.619 4.016 8.391 1.00 0.00 H new ATOM 0 HD3 LYS A 347 6.886 3.152 9.240 1.00 0.00 H new ATOM 0 HE2 LYS A 347 5.725 4.506 10.875 1.00 0.00 H new ATOM 0 HE3 LYS A 347 7.303 5.226 10.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 347 5.529 6.866 10.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 347 6.332 6.846 9.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 347 4.803 6.124 9.307 1.00 0.00 H new ATOM 1057 N ASP A 348 10.355 3.511 4.100 1.00 0.00 N ATOM 1058 CA ASP A 348 10.849 2.616 3.050 1.00 0.00 C ATOM 1059 C ASP A 348 11.109 1.192 3.533 1.00 0.00 C ATOM 1060 O ASP A 348 10.633 0.238 2.918 1.00 0.00 O ATOM 1061 CB ASP A 348 12.124 3.211 2.453 1.00 0.00 C ATOM 1062 CG ASP A 348 11.876 4.587 1.837 1.00 0.00 C ATOM 1063 OD1 ASP A 348 11.701 5.545 2.623 1.00 0.00 O ATOM 1064 OD2 ASP A 348 11.862 4.666 0.589 1.00 0.00 O ATOM 0 H ASP A 348 10.572 4.489 3.911 1.00 0.00 H new ATOM 0 HA ASP A 348 10.066 2.538 2.296 1.00 0.00 H new ATOM 0 HB2 ASP A 348 12.885 3.293 3.229 1.00 0.00 H new ATOM 0 HB3 ASP A 348 12.517 2.538 1.691 1.00 0.00 H new ATOM 1069 N ARG A 349 11.856 1.035 4.627 1.00 0.00 N ATOM 1070 CA ARG A 349 12.115 -0.277 5.192 1.00 0.00 C ATOM 1071 C ARG A 349 12.242 -0.202 6.714 1.00 0.00 C ATOM 1072 O ARG A 349 13.119 -0.824 7.311 1.00 0.00 O ATOM 1073 CB ARG A 349 13.295 -0.946 4.498 1.00 0.00 C ATOM 1074 CG ARG A 349 14.541 -0.074 4.447 1.00 0.00 C ATOM 1075 CD ARG A 349 15.342 -0.638 3.288 1.00 0.00 C ATOM 1076 NE ARG A 349 16.639 0.036 3.155 1.00 0.00 N ATOM 1077 CZ ARG A 349 17.755 -0.341 3.784 1.00 0.00 C ATOM 1078 NH1 ARG A 349 17.757 -1.394 4.600 1.00 0.00 N ATOM 1079 NH2 ARG A 349 18.884 0.338 3.598 1.00 0.00 N ATOM 0 H ARG A 349 12.290 1.806 5.135 1.00 0.00 H new ATOM 0 HA ARG A 349 11.259 -0.925 5.002 1.00 0.00 H new ATOM 0 HB2 ARG A 349 13.532 -1.875 5.016 1.00 0.00 H new ATOM 0 HB3 ARG A 349 13.005 -1.213 3.482 1.00 0.00 H new ATOM 0 HG2 ARG A 349 14.288 0.974 4.284 1.00 0.00 H new ATOM 0 HG3 ARG A 349 15.101 -0.125 5.381 1.00 0.00 H new ATOM 0 HD2 ARG A 349 15.499 -1.706 3.438 1.00 0.00 H new ATOM 0 HD3 ARG A 349 14.776 -0.526 2.364 1.00 0.00 H new ATOM 0 HE ARG A 349 16.692 0.848 2.540 1.00 0.00 H new ATOM 0 HH11 ARG A 349 16.899 -1.924 4.751 1.00 0.00 H new ATOM 0 HH12 ARG A 349 18.617 -1.670 5.074 1.00 0.00 H new ATOM 0 HH21 ARG A 349 18.897 1.146 2.975 1.00 0.00 H new ATOM 0 HH22 ARG A 349 19.737 0.051 4.078 1.00 0.00 H new ATOM 1093 N ALA A 350 11.342 0.577 7.327 1.00 0.00 N ATOM 1094 CA ALA A 350 11.238 0.776 8.767 1.00 0.00 C ATOM 1095 C ALA A 350 10.792 -0.503 9.491 1.00 0.00 C ATOM 1096 O ALA A 350 11.035 -1.610 9.019 1.00 0.00 O ATOM 1097 CB ALA A 350 10.254 1.922 9.014 1.00 0.00 C ATOM 0 H ALA A 350 10.641 1.105 6.807 1.00 0.00 H new ATOM 0 HA ALA A 350 12.219 1.027 9.171 1.00 0.00 H new ATOM 0 HB1 ALA A 350 10.157 2.093 10.086 1.00 0.00 H new ATOM 0 HB2 ALA A 350 10.623 2.828 8.534 1.00 0.00 H new ATOM 0 HB3 ALA A 350 9.281 1.662 8.598 1.00 0.00 H new ATOM 1103 N ASN A 351 10.135 -0.353 10.646 1.00 0.00 N ATOM 1104 CA ASN A 351 9.671 -1.473 11.455 1.00 0.00 C ATOM 1105 C ASN A 351 8.224 -1.256 11.906 1.00 0.00 C ATOM 1106 O ASN A 351 7.632 -0.217 11.618 1.00 0.00 O ATOM 1107 CB ASN A 351 10.614 -1.658 12.649 1.00 0.00 C ATOM 1108 CG ASN A 351 10.567 -0.498 13.637 1.00 0.00 C ATOM 1109 OD1 ASN A 351 10.223 0.627 13.287 1.00 0.00 O ATOM 1110 ND2 ASN A 351 10.916 -0.768 14.892 1.00 0.00 N ATOM 0 H ASN A 351 9.911 0.559 11.044 1.00 0.00 H new ATOM 0 HA ASN A 351 9.684 -2.384 10.857 1.00 0.00 H new ATOM 0 HB2 ASN A 351 10.355 -2.580 13.169 1.00 0.00 H new ATOM 0 HB3 ASN A 351 11.634 -1.774 12.283 1.00 0.00 H new ATOM 0 HD21 ASN A 351 10.902 -0.029 15.595 1.00 0.00 H new ATOM 0 HD22 ASN A 351 11.197 -1.714 15.151 1.00 0.00 H new ATOM 1117 N MET A 352 7.654 -2.237 12.616 1.00 0.00 N ATOM 1118 CA MET A 352 6.261 -2.189 13.054 1.00 0.00 C ATOM 1119 C MET A 352 6.125 -2.555 14.532 1.00 0.00 C ATOM 1120 O MET A 352 5.319 -1.950 15.235 1.00 0.00 O ATOM 1121 CB MET A 352 5.442 -3.146 12.186 1.00 0.00 C ATOM 1122 CG MET A 352 4.033 -3.323 12.750 1.00 0.00 C ATOM 1123 SD MET A 352 2.973 -4.421 11.771 1.00 0.00 S ATOM 1124 CE MET A 352 2.449 -3.254 10.493 1.00 0.00 C ATOM 0 H MET A 352 8.147 -3.083 12.901 1.00 0.00 H new ATOM 0 HA MET A 352 5.888 -1.171 12.941 1.00 0.00 H new ATOM 0 HB2 MET A 352 5.385 -2.761 11.168 1.00 0.00 H new ATOM 0 HB3 MET A 352 5.941 -4.113 12.134 1.00 0.00 H new ATOM 0 HG2 MET A 352 4.106 -3.716 13.764 1.00 0.00 H new ATOM 0 HG3 MET A 352 3.557 -2.345 12.821 1.00 0.00 H new ATOM 0 HE1 MET A 352 1.917 -3.790 9.707 1.00 0.00 H new ATOM 0 HE2 MET A 352 1.790 -2.505 10.932 1.00 0.00 H new ATOM 0 HE3 MET A 352 3.324 -2.762 10.068 1.00 0.00 H new ATOM 1134 N GLN A 353 6.899 -3.533 15.014 1.00 0.00 N ATOM 1135 CA GLN A 353 6.852 -3.906 16.424 1.00 0.00 C ATOM 1136 C GLN A 353 8.100 -4.647 16.887 1.00 0.00 C ATOM 1137 O GLN A 353 8.477 -4.522 18.051 1.00 0.00 O ATOM 1138 CB GLN A 353 5.627 -4.773 16.698 1.00 0.00 C ATOM 1139 CG GLN A 353 5.556 -6.023 15.821 1.00 0.00 C ATOM 1140 CD GLN A 353 4.197 -6.680 15.993 1.00 0.00 C ATOM 1141 OE1 GLN A 353 4.095 -7.838 16.388 1.00 0.00 O ATOM 1142 NE2 GLN A 353 3.141 -5.931 15.692 1.00 0.00 N ATOM 0 H GLN A 353 7.557 -4.073 14.453 1.00 0.00 H new ATOM 0 HA GLN A 353 6.796 -2.974 16.987 1.00 0.00 H new ATOM 0 HB2 GLN A 353 5.632 -5.074 17.746 1.00 0.00 H new ATOM 0 HB3 GLN A 353 4.728 -4.177 16.541 1.00 0.00 H new ATOM 0 HG2 GLN A 353 5.715 -5.758 14.776 1.00 0.00 H new ATOM 0 HG3 GLN A 353 6.347 -6.720 16.097 1.00 0.00 H new ATOM 0 HE21 GLN A 353 3.271 -4.973 15.367 1.00 0.00 H new ATOM 0 HE22 GLN A 353 2.200 -6.314 15.786 1.00 0.00 H new ATOM 1151 N HIS A 354 8.749 -5.417 16.003 1.00 0.00 N ATOM 1152 CA HIS A 354 9.884 -6.222 16.432 1.00 0.00 C ATOM 1153 C HIS A 354 10.783 -6.687 15.281 1.00 0.00 C ATOM 1154 O HIS A 354 11.737 -7.427 15.523 1.00 0.00 O ATOM 1155 CB HIS A 354 9.342 -7.428 17.207 1.00 0.00 C ATOM 1156 CG HIS A 354 8.950 -8.604 16.349 1.00 0.00 C ATOM 1157 ND1 HIS A 354 9.298 -9.916 16.570 1.00 0.00 N ATOM 1158 CD2 HIS A 354 8.189 -8.577 15.212 1.00 0.00 C ATOM 1159 CE1 HIS A 354 8.758 -10.657 15.587 1.00 0.00 C ATOM 1160 NE2 HIS A 354 8.069 -9.885 14.729 1.00 0.00 N ATOM 0 H HIS A 354 8.511 -5.495 15.014 1.00 0.00 H new ATOM 0 HA HIS A 354 10.519 -5.597 17.060 1.00 0.00 H new ATOM 0 HB2 HIS A 354 10.098 -7.753 17.922 1.00 0.00 H new ATOM 0 HB3 HIS A 354 8.473 -7.111 17.784 1.00 0.00 H new ATOM 0 HD2 HIS A 354 7.755 -7.696 14.763 1.00 0.00 H new ATOM 0 HE1 HIS A 354 8.864 -11.728 15.499 1.00 0.00 H new ATOM 0 HE2 HIS A 354 7.563 -10.190 13.897 1.00 0.00 H new ATOM 1168 N ARG A 355 10.505 -6.272 14.038 1.00 0.00 N ATOM 1169 CA ARG A 355 11.272 -6.741 12.891 1.00 0.00 C ATOM 1170 C ARG A 355 11.265 -5.724 11.752 1.00 0.00 C ATOM 1171 O ARG A 355 10.501 -4.760 11.765 1.00 0.00 O ATOM 1172 CB ARG A 355 10.668 -8.064 12.405 1.00 0.00 C ATOM 1173 CG ARG A 355 11.738 -9.003 11.847 1.00 0.00 C ATOM 1174 CD ARG A 355 11.087 -10.328 11.447 1.00 0.00 C ATOM 1175 NE ARG A 355 12.058 -11.236 10.827 1.00 0.00 N ATOM 1176 CZ ARG A 355 11.804 -12.511 10.524 1.00 0.00 C ATOM 1177 NH1 ARG A 355 10.622 -13.055 10.799 1.00 0.00 N ATOM 1178 NH2 ARG A 355 12.740 -13.256 9.939 1.00 0.00 N ATOM 0 H ARG A 355 9.758 -5.616 13.808 1.00 0.00 H new ATOM 0 HA ARG A 355 12.308 -6.881 13.200 1.00 0.00 H new ATOM 0 HB2 ARG A 355 10.150 -8.552 13.230 1.00 0.00 H new ATOM 0 HB3 ARG A 355 9.923 -7.863 11.635 1.00 0.00 H new ATOM 0 HG2 ARG A 355 12.224 -8.548 10.984 1.00 0.00 H new ATOM 0 HG3 ARG A 355 12.512 -9.176 12.594 1.00 0.00 H new ATOM 0 HD2 ARG A 355 10.654 -10.803 12.327 1.00 0.00 H new ATOM 0 HD3 ARG A 355 10.269 -10.138 10.752 1.00 0.00 H new ATOM 0 HE ARG A 355 12.986 -10.870 10.614 1.00 0.00 H new ATOM 0 HH11 ARG A 355 9.895 -12.497 11.247 1.00 0.00 H new ATOM 0 HH12 ARG A 355 10.442 -14.031 10.562 1.00 0.00 H new ATOM 0 HH21 ARG A 355 13.651 -12.852 9.722 1.00 0.00 H new ATOM 0 HH22 ARG A 355 12.546 -14.230 9.708 1.00 0.00 H new ATOM 1192 N TYR A 356 12.134 -5.962 10.769 1.00 0.00 N ATOM 1193 CA TYR A 356 12.234 -5.215 9.527 1.00 0.00 C ATOM 1194 C TYR A 356 10.901 -5.337 8.785 1.00 0.00 C ATOM 1195 O TYR A 356 10.309 -6.413 8.740 1.00 0.00 O ATOM 1196 CB TYR A 356 13.440 -5.827 8.791 1.00 0.00 C ATOM 1197 CG TYR A 356 13.618 -5.691 7.287 1.00 0.00 C ATOM 1198 CD1 TYR A 356 13.208 -4.562 6.554 1.00 0.00 C ATOM 1199 CD2 TYR A 356 14.236 -6.760 6.615 1.00 0.00 C ATOM 1200 CE1 TYR A 356 13.377 -4.537 5.160 1.00 0.00 C ATOM 1201 CE2 TYR A 356 14.440 -6.720 5.230 1.00 0.00 C ATOM 1202 CZ TYR A 356 14.001 -5.606 4.492 1.00 0.00 C ATOM 1203 OH TYR A 356 14.179 -5.565 3.141 1.00 0.00 O ATOM 0 H TYR A 356 12.817 -6.718 10.826 1.00 0.00 H new ATOM 0 HA TYR A 356 12.403 -4.145 9.644 1.00 0.00 H new ATOM 0 HB2 TYR A 356 14.335 -5.410 9.253 1.00 0.00 H new ATOM 0 HB3 TYR A 356 13.435 -6.894 9.012 1.00 0.00 H new ATOM 0 HD1 TYR A 356 12.765 -3.718 7.061 1.00 0.00 H new ATOM 0 HD2 TYR A 356 14.558 -7.625 7.175 1.00 0.00 H new ATOM 0 HE1 TYR A 356 13.024 -3.687 4.595 1.00 0.00 H new ATOM 0 HE2 TYR A 356 14.932 -7.541 4.731 1.00 0.00 H new ATOM 0 HH TYR A 356 14.627 -6.385 2.845 1.00 0.00 H new ATOM 1213 N ILE A 357 10.429 -4.234 8.203 1.00 0.00 N ATOM 1214 CA ILE A 357 9.214 -4.174 7.395 1.00 0.00 C ATOM 1215 C ILE A 357 9.560 -3.334 6.178 1.00 0.00 C ATOM 1216 O ILE A 357 10.523 -2.571 6.224 1.00 0.00 O ATOM 1217 CB ILE A 357 8.059 -3.521 8.173 1.00 0.00 C ATOM 1218 CG1 ILE A 357 7.778 -4.228 9.504 1.00 0.00 C ATOM 1219 CG2 ILE A 357 6.780 -3.511 7.325 1.00 0.00 C ATOM 1220 CD1 ILE A 357 7.202 -5.632 9.329 1.00 0.00 C ATOM 0 H ILE A 357 10.897 -3.331 8.284 1.00 0.00 H new ATOM 0 HA ILE A 357 8.884 -5.176 7.119 1.00 0.00 H new ATOM 0 HB ILE A 357 8.368 -2.499 8.394 1.00 0.00 H new ATOM 0 HG12 ILE A 357 8.703 -4.290 10.077 1.00 0.00 H new ATOM 0 HG13 ILE A 357 7.081 -3.626 10.088 1.00 0.00 H new ATOM 0 HG21 ILE A 357 5.972 -3.046 7.890 1.00 0.00 H new ATOM 0 HG22 ILE A 357 6.955 -2.946 6.410 1.00 0.00 H new ATOM 0 HG23 ILE A 357 6.503 -4.534 7.072 1.00 0.00 H new ATOM 0 HD11 ILE A 357 7.026 -6.078 10.308 1.00 0.00 H new ATOM 0 HD12 ILE A 357 6.261 -5.574 8.782 1.00 0.00 H new ATOM 0 HD13 ILE A 357 7.908 -6.248 8.772 1.00 0.00 H new ATOM 1232 N GLU A 358 8.803 -3.449 5.089 1.00 0.00 N ATOM 1233 CA GLU A 358 9.122 -2.681 3.902 1.00 0.00 C ATOM 1234 C GLU A 358 7.886 -2.419 3.049 1.00 0.00 C ATOM 1235 O GLU A 358 6.924 -3.186 3.076 1.00 0.00 O ATOM 1236 CB GLU A 358 10.235 -3.414 3.144 1.00 0.00 C ATOM 1237 CG GLU A 358 9.858 -4.817 2.658 1.00 0.00 C ATOM 1238 CD GLU A 358 9.381 -4.830 1.201 1.00 0.00 C ATOM 1239 OE1 GLU A 358 8.769 -3.829 0.766 1.00 0.00 O ATOM 1240 OE2 GLU A 358 9.634 -5.852 0.525 1.00 0.00 O ATOM 0 H GLU A 358 7.985 -4.053 5.009 1.00 0.00 H new ATOM 0 HA GLU A 358 9.483 -1.691 4.180 1.00 0.00 H new ATOM 0 HB2 GLU A 358 10.528 -2.812 2.284 1.00 0.00 H new ATOM 0 HB3 GLU A 358 11.108 -3.491 3.792 1.00 0.00 H new ATOM 0 HG2 GLU A 358 10.720 -5.476 2.760 1.00 0.00 H new ATOM 0 HG3 GLU A 358 9.072 -5.219 3.297 1.00 0.00 H new ATOM 1247 N LEU A 359 7.933 -1.321 2.290 1.00 0.00 N ATOM 1248 CA LEU A 359 6.891 -0.925 1.357 1.00 0.00 C ATOM 1249 C LEU A 359 7.513 -0.077 0.244 1.00 0.00 C ATOM 1250 O LEU A 359 8.389 0.746 0.505 1.00 0.00 O ATOM 1251 CB LEU A 359 5.744 -0.232 2.113 1.00 0.00 C ATOM 1252 CG LEU A 359 6.027 1.089 2.844 1.00 0.00 C ATOM 1253 CD1 LEU A 359 7.335 1.127 3.625 1.00 0.00 C ATOM 1254 CD2 LEU A 359 5.991 2.277 1.888 1.00 0.00 C ATOM 0 H LEU A 359 8.719 -0.671 2.313 1.00 0.00 H new ATOM 0 HA LEU A 359 6.443 -1.794 0.875 1.00 0.00 H new ATOM 0 HB2 LEU A 359 4.942 -0.048 1.398 1.00 0.00 H new ATOM 0 HB3 LEU A 359 5.359 -0.939 2.848 1.00 0.00 H new ATOM 0 HG LEU A 359 5.221 1.159 3.575 1.00 0.00 H new ATOM 0 HD11 LEU A 359 7.444 2.100 4.105 1.00 0.00 H new ATOM 0 HD12 LEU A 359 7.328 0.346 4.385 1.00 0.00 H new ATOM 0 HD13 LEU A 359 8.170 0.963 2.944 1.00 0.00 H new ATOM 0 HD21 LEU A 359 6.195 3.194 2.440 1.00 0.00 H new ATOM 0 HD22 LEU A 359 6.746 2.144 1.113 1.00 0.00 H new ATOM 0 HD23 LEU A 359 5.006 2.343 1.427 1.00 0.00 H new ATOM 1266 N PHE A 360 7.074 -0.269 -1.004 1.00 0.00 N ATOM 1267 CA PHE A 360 7.759 0.303 -2.160 1.00 0.00 C ATOM 1268 C PHE A 360 6.727 0.891 -3.129 1.00 0.00 C ATOM 1269 O PHE A 360 5.824 0.186 -3.583 1.00 0.00 O ATOM 1270 CB PHE A 360 8.618 -0.802 -2.798 1.00 0.00 C ATOM 1271 CG PHE A 360 10.004 -0.388 -3.259 1.00 0.00 C ATOM 1272 CD1 PHE A 360 10.162 0.650 -4.192 1.00 0.00 C ATOM 1273 CD2 PHE A 360 11.149 -1.040 -2.764 1.00 0.00 C ATOM 1274 CE1 PHE A 360 11.443 1.022 -4.628 1.00 0.00 C ATOM 1275 CE2 PHE A 360 12.418 -0.670 -3.198 1.00 0.00 C ATOM 1276 CZ PHE A 360 12.574 0.359 -4.134 1.00 0.00 C ATOM 0 H PHE A 360 6.246 -0.817 -1.236 1.00 0.00 H new ATOM 0 HA PHE A 360 8.418 1.122 -1.872 1.00 0.00 H new ATOM 0 HB2 PHE A 360 8.724 -1.613 -2.078 1.00 0.00 H new ATOM 0 HB3 PHE A 360 8.078 -1.205 -3.655 1.00 0.00 H new ATOM 0 HD1 PHE A 360 9.293 1.164 -4.576 1.00 0.00 H new ATOM 0 HD2 PHE A 360 11.041 -1.835 -2.041 1.00 0.00 H new ATOM 0 HE1 PHE A 360 11.557 1.821 -5.346 1.00 0.00 H new ATOM 0 HE2 PHE A 360 13.288 -1.180 -2.810 1.00 0.00 H new ATOM 0 HZ PHE A 360 13.560 0.640 -4.473 1.00 0.00 H new ATOM 1286 N LEU A 361 6.873 2.186 -3.438 1.00 0.00 N ATOM 1287 CA LEU A 361 5.891 2.995 -4.158 1.00 0.00 C ATOM 1288 C LEU A 361 5.444 2.356 -5.481 1.00 0.00 C ATOM 1289 O LEU A 361 6.261 1.795 -6.210 1.00 0.00 O ATOM 1290 CB LEU A 361 6.488 4.394 -4.372 1.00 0.00 C ATOM 1291 CG LEU A 361 5.500 5.537 -4.092 1.00 0.00 C ATOM 1292 CD1 LEU A 361 6.218 6.877 -4.233 1.00 0.00 C ATOM 1293 CD2 LEU A 361 4.313 5.527 -5.047 1.00 0.00 C ATOM 0 H LEU A 361 7.708 2.714 -3.183 1.00 0.00 H new ATOM 0 HA LEU A 361 4.983 3.064 -3.558 1.00 0.00 H new ATOM 0 HB2 LEU A 361 7.358 4.511 -3.725 1.00 0.00 H new ATOM 0 HB3 LEU A 361 6.842 4.475 -5.400 1.00 0.00 H new ATOM 0 HG LEU A 361 5.124 5.394 -3.079 1.00 0.00 H new ATOM 0 HD11 LEU A 361 5.517 7.688 -4.034 1.00 0.00 H new ATOM 0 HD12 LEU A 361 7.041 6.926 -3.520 1.00 0.00 H new ATOM 0 HD13 LEU A 361 6.609 6.975 -5.246 1.00 0.00 H new ATOM 0 HD21 LEU A 361 3.645 6.354 -4.806 1.00 0.00 H new ATOM 0 HD22 LEU A 361 4.669 5.634 -6.071 1.00 0.00 H new ATOM 0 HD23 LEU A 361 3.774 4.585 -4.947 1.00 0.00 H new ATOM 1305 N ASN A 362 4.142 2.447 -5.784 1.00 0.00 N ATOM 1306 CA ASN A 362 3.546 1.935 -7.003 1.00 0.00 C ATOM 1307 C ASN A 362 2.367 2.829 -7.424 1.00 0.00 C ATOM 1308 O ASN A 362 1.259 2.357 -7.685 1.00 0.00 O ATOM 1309 CB ASN A 362 3.132 0.485 -6.771 1.00 0.00 C ATOM 1310 CG ASN A 362 2.762 -0.186 -8.080 1.00 0.00 C ATOM 1311 OD1 ASN A 362 3.615 -0.429 -8.928 1.00 0.00 O ATOM 1312 ND2 ASN A 362 1.483 -0.490 -8.252 1.00 0.00 N ATOM 0 H ASN A 362 3.465 2.892 -5.165 1.00 0.00 H new ATOM 0 HA ASN A 362 4.262 1.954 -7.824 1.00 0.00 H new ATOM 0 HB2 ASN A 362 3.948 -0.059 -6.296 1.00 0.00 H new ATOM 0 HB3 ASN A 362 2.284 0.449 -6.087 1.00 0.00 H new ATOM 0 HD21 ASN A 362 1.178 -0.943 -9.114 1.00 0.00 H new ATOM 0 HD22 ASN A 362 0.804 -0.271 -7.523 1.00 0.00 H new ATOM 1319 N SER A 363 2.607 4.142 -7.487 1.00 0.00 N ATOM 1320 CA SER A 363 1.617 5.096 -7.965 1.00 0.00 C ATOM 1321 C SER A 363 2.285 6.400 -8.385 1.00 0.00 C ATOM 1322 O SER A 363 3.480 6.594 -8.165 1.00 0.00 O ATOM 1323 CB SER A 363 0.590 5.386 -6.871 1.00 0.00 C ATOM 1324 OG SER A 363 1.179 6.114 -5.814 1.00 0.00 O ATOM 0 H SER A 363 3.491 4.567 -7.208 1.00 0.00 H new ATOM 0 HA SER A 363 1.116 4.658 -8.828 1.00 0.00 H new ATOM 0 HB2 SER A 363 -0.243 5.951 -7.288 1.00 0.00 H new ATOM 0 HB3 SER A 363 0.182 4.450 -6.491 1.00 0.00 H new ATOM 0 HG SER A 363 1.251 7.058 -6.067 1.00 0.00 H new ATOM 1330 N THR A 364 1.507 7.298 -8.991 1.00 0.00 N ATOM 1331 CA THR A 364 1.974 8.628 -9.343 1.00 0.00 C ATOM 1332 C THR A 364 0.788 9.586 -9.429 1.00 0.00 C ATOM 1333 O THR A 364 -0.362 9.159 -9.513 1.00 0.00 O ATOM 1334 CB THR A 364 2.765 8.593 -10.651 1.00 0.00 C ATOM 1335 OG1 THR A 364 3.308 9.868 -10.911 1.00 0.00 O ATOM 1336 CG2 THR A 364 1.865 8.202 -11.812 1.00 0.00 C ATOM 0 H THR A 364 0.537 7.118 -9.249 1.00 0.00 H new ATOM 0 HA THR A 364 2.648 8.989 -8.566 1.00 0.00 H new ATOM 0 HB THR A 364 3.562 7.856 -10.549 1.00 0.00 H new ATOM 0 HG1 THR A 364 3.816 9.843 -11.749 1.00 0.00 H new ATOM 0 HG21 THR A 364 2.447 8.183 -12.733 1.00 0.00 H new ATOM 0 HG22 THR A 364 1.443 7.214 -11.629 1.00 0.00 H new ATOM 0 HG23 THR A 364 1.058 8.929 -11.908 1.00 0.00 H new ATOM 1344 N THR A 365 1.080 10.886 -9.406 1.00 0.00 N ATOM 1345 CA THR A 365 0.087 11.954 -9.464 1.00 0.00 C ATOM 1346 C THR A 365 -0.607 12.024 -10.831 1.00 0.00 C ATOM 1347 O THR A 365 -1.536 12.810 -11.019 1.00 0.00 O ATOM 1348 CB THR A 365 0.792 13.270 -9.126 1.00 0.00 C ATOM 1349 OG1 THR A 365 -0.111 14.354 -9.158 1.00 0.00 O ATOM 1350 CG2 THR A 365 1.926 13.519 -10.118 1.00 0.00 C ATOM 0 H THR A 365 2.037 11.232 -9.345 1.00 0.00 H new ATOM 0 HA THR A 365 -0.704 11.755 -8.741 1.00 0.00 H new ATOM 0 HB THR A 365 1.196 13.189 -8.117 1.00 0.00 H new ATOM 0 HG1 THR A 365 -0.902 14.106 -9.681 1.00 0.00 H new ATOM 0 HG21 THR A 365 2.424 14.457 -9.873 1.00 0.00 H new ATOM 0 HG22 THR A 365 2.644 12.701 -10.062 1.00 0.00 H new ATOM 0 HG23 THR A 365 1.520 13.577 -11.128 1.00 0.00 H new