USER MOD reduce.3.24.130724 H: found=0, std=0, add=290, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 292 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 Single : A 19 THR OG1 : rot 180:sc= -0.0786 USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 30 ASN : amide:sc= -0.331 K(o=-0.33,f=-1.9) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.0362 K(o=-0.036,f=-1.6!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 223 N LEU A 17 9.363 -6.037 -3.277 1.00 0.00 N ATOM 224 CA LEU A 17 9.196 -7.284 -4.014 1.00 0.00 C ATOM 225 C LEU A 17 7.778 -7.406 -4.562 1.00 0.00 C ATOM 226 O LEU A 17 6.844 -7.735 -3.829 1.00 0.00 O ATOM 227 CB LEU A 17 9.511 -8.479 -3.114 1.00 0.00 C ATOM 228 CG LEU A 17 9.893 -9.776 -3.829 1.00 0.00 C ATOM 229 CD1 LEU A 17 8.977 -10.018 -5.019 1.00 0.00 C ATOM 230 CD2 LEU A 17 11.348 -9.734 -4.272 1.00 0.00 C ATOM 0 HA LEU A 17 9.892 -7.277 -4.853 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.327 -8.201 -2.448 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.641 -8.676 -2.487 1.00 0.00 H new ATOM 0 HG LEU A 17 9.773 -10.603 -3.129 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.263 -10.945 -5.516 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.946 -10.094 -4.675 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.065 -9.188 -5.720 1.00 0.00 H new ATOM 0 HD21 LEU A 17 11.601 -10.665 -4.779 1.00 0.00 H new ATOM 0 HD22 LEU A 17 11.496 -8.897 -4.955 1.00 0.00 H new ATOM 0 HD23 LEU A 17 11.990 -9.609 -3.400 1.00 0.00 H new ATOM 242 N ALA A 18 7.623 -7.142 -5.856 1.00 0.00 N ATOM 243 CA ALA A 18 6.318 -7.226 -6.502 1.00 0.00 C ATOM 244 C ALA A 18 6.456 -7.181 -8.020 1.00 0.00 C ATOM 245 O ALA A 18 7.179 -6.347 -8.565 1.00 0.00 O ATOM 246 CB ALA A 18 5.416 -6.101 -6.018 1.00 0.00 C ATOM 0 H ALA A 18 8.384 -6.868 -6.477 1.00 0.00 H new ATOM 0 HA ALA A 18 5.865 -8.180 -6.232 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.445 -6.176 -6.508 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.284 -6.179 -4.939 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.871 -5.140 -6.259 1.00 0.00 H new ATOM 252 N THR A 19 5.755 -8.085 -8.699 1.00 0.00 N ATOM 253 CA THR A 19 5.799 -8.150 -10.154 1.00 0.00 C ATOM 254 C THR A 19 5.687 -6.760 -10.771 1.00 0.00 C ATOM 255 O THR A 19 5.235 -5.808 -10.135 1.00 0.00 O ATOM 256 CB THR A 19 4.671 -9.039 -10.712 1.00 0.00 C ATOM 257 OG1 THR A 19 3.539 -8.999 -9.837 1.00 0.00 O ATOM 258 CG2 THR A 19 5.144 -10.475 -10.873 1.00 0.00 C ATOM 0 H THR A 19 5.150 -8.782 -8.264 1.00 0.00 H new ATOM 0 HA THR A 19 6.761 -8.587 -10.421 1.00 0.00 H new ATOM 0 HB THR A 19 4.386 -8.656 -11.692 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.826 -9.565 -10.199 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.331 -11.084 -11.268 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.988 -10.505 -11.562 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.453 -10.867 -9.904 1.00 0.00 H new ATOM 266 N PRO A 20 6.107 -6.639 -12.039 1.00 0.00 N ATOM 267 CA PRO A 20 6.063 -5.368 -12.769 1.00 0.00 C ATOM 268 C PRO A 20 4.637 -4.938 -13.097 1.00 0.00 C ATOM 269 O PRO A 20 4.301 -3.756 -13.019 1.00 0.00 O ATOM 270 CB PRO A 20 6.839 -5.670 -14.053 1.00 0.00 C ATOM 271 CG PRO A 20 6.706 -7.142 -14.240 1.00 0.00 C ATOM 272 CD PRO A 20 6.658 -7.731 -12.857 1.00 0.00 C ATOM 0 HA PRO A 20 6.480 -4.547 -12.185 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.427 -5.124 -14.902 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.885 -5.376 -13.962 1.00 0.00 H new ATOM 0 HG2 PRO A 20 5.802 -7.385 -14.799 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.548 -7.541 -14.806 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.026 -8.619 -12.820 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.648 -8.030 -12.513 1.00 0.00 H new ATOM 280 N ALA A 21 3.802 -5.904 -13.464 1.00 0.00 N ATOM 281 CA ALA A 21 2.411 -5.625 -13.801 1.00 0.00 C ATOM 282 C ALA A 21 1.646 -5.106 -12.589 1.00 0.00 C ATOM 283 O ALA A 21 0.671 -4.367 -12.727 1.00 0.00 O ATOM 284 CB ALA A 21 1.742 -6.874 -14.354 1.00 0.00 C ATOM 0 H ALA A 21 4.064 -6.887 -13.536 1.00 0.00 H new ATOM 0 HA ALA A 21 2.397 -4.849 -14.566 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.704 -6.652 -14.601 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.267 -7.201 -15.252 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.775 -7.666 -13.606 1.00 0.00 H new ATOM 290 N VAL A 22 2.093 -5.497 -11.400 1.00 0.00 N ATOM 291 CA VAL A 22 1.451 -5.070 -10.162 1.00 0.00 C ATOM 292 C VAL A 22 1.987 -3.720 -9.702 1.00 0.00 C ATOM 293 O VAL A 22 1.251 -2.905 -9.145 1.00 0.00 O ATOM 294 CB VAL A 22 1.656 -6.102 -9.038 1.00 0.00 C ATOM 295 CG1 VAL A 22 1.137 -5.562 -7.714 1.00 0.00 C ATOM 296 CG2 VAL A 22 0.977 -7.417 -9.390 1.00 0.00 C ATOM 0 H VAL A 22 2.898 -6.109 -11.268 1.00 0.00 H new ATOM 0 HA VAL A 22 0.385 -4.981 -10.373 1.00 0.00 H new ATOM 0 HB VAL A 22 2.725 -6.289 -8.932 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.291 -6.306 -6.932 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.675 -4.649 -7.457 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.073 -5.343 -7.802 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.133 -8.134 -8.584 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.092 -7.250 -9.526 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.403 -7.811 -10.313 1.00 0.00 H new ATOM 306 N ARG A 23 3.274 -3.489 -9.939 1.00 0.00 N ATOM 307 CA ARG A 23 3.910 -2.235 -9.549 1.00 0.00 C ATOM 308 C ARG A 23 3.197 -1.044 -10.180 1.00 0.00 C ATOM 309 O ARG A 23 3.277 0.078 -9.678 1.00 0.00 O ATOM 310 CB ARG A 23 5.383 -2.237 -9.958 1.00 0.00 C ATOM 311 CG ARG A 23 6.290 -2.950 -8.968 1.00 0.00 C ATOM 312 CD ARG A 23 7.711 -3.067 -9.497 1.00 0.00 C ATOM 313 NE ARG A 23 8.513 -1.889 -9.177 1.00 0.00 N ATOM 314 CZ ARG A 23 8.829 -1.529 -7.938 1.00 0.00 C ATOM 315 NH1 ARG A 23 8.412 -2.252 -6.907 1.00 0.00 N ATOM 316 NH2 ARG A 23 9.562 -0.444 -7.727 1.00 0.00 N ATOM 0 H ARG A 23 3.897 -4.153 -10.399 1.00 0.00 H new ATOM 0 HA ARG A 23 3.841 -2.144 -8.465 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.480 -2.713 -10.934 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.721 -1.207 -10.071 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.296 -2.407 -8.023 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.894 -3.945 -8.762 1.00 0.00 H new ATOM 0 HD2 ARG A 23 8.184 -3.953 -9.073 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.685 -3.205 -10.578 1.00 0.00 H new ATOM 0 HE ARG A 23 8.849 -1.311 -9.947 1.00 0.00 H new ATOM 0 HH11 ARG A 23 7.847 -3.087 -7.065 1.00 0.00 H new ATOM 0 HH12 ARG A 23 8.656 -1.973 -5.957 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.884 0.115 -8.517 1.00 0.00 H new ATOM 0 HH22 ARG A 23 9.804 -0.169 -6.775 1.00 0.00 H new ATOM 330 N ARG A 24 2.501 -1.294 -11.284 1.00 0.00 N ATOM 331 CA ARG A 24 1.775 -0.242 -11.985 1.00 0.00 C ATOM 332 C ARG A 24 0.375 -0.066 -11.403 1.00 0.00 C ATOM 333 O ARG A 24 -0.135 1.051 -11.313 1.00 0.00 O ATOM 334 CB ARG A 24 1.682 -0.564 -13.478 1.00 0.00 C ATOM 335 CG ARG A 24 0.493 0.085 -14.168 1.00 0.00 C ATOM 336 CD ARG A 24 0.776 0.339 -15.641 1.00 0.00 C ATOM 337 NE ARG A 24 -0.453 0.459 -16.421 1.00 0.00 N ATOM 338 CZ ARG A 24 -0.490 0.395 -17.747 1.00 0.00 C ATOM 339 NH1 ARG A 24 0.627 0.213 -18.437 1.00 0.00 N ATOM 340 NH2 ARG A 24 -1.648 0.513 -18.385 1.00 0.00 N ATOM 0 H ARG A 24 2.425 -2.216 -11.713 1.00 0.00 H new ATOM 0 HA ARG A 24 2.323 0.691 -11.855 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.599 -0.238 -13.969 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.619 -1.645 -13.605 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.382 -0.558 -14.070 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.254 1.027 -13.674 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.362 1.252 -15.745 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.381 -0.476 -16.040 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.330 0.600 -15.920 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.518 0.122 -17.950 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.595 0.164 -19.455 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.509 0.653 -17.857 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.676 0.464 -19.403 1.00 0.00 H new ATOM 354 N LEU A 25 -0.240 -1.176 -11.011 1.00 0.00 N ATOM 355 CA LEU A 25 -1.582 -1.146 -10.438 1.00 0.00 C ATOM 356 C LEU A 25 -1.668 -0.123 -9.309 1.00 0.00 C ATOM 357 O LEU A 25 -2.749 0.362 -8.980 1.00 0.00 O ATOM 358 CB LEU A 25 -1.966 -2.531 -9.917 1.00 0.00 C ATOM 359 CG LEU A 25 -3.465 -2.828 -9.845 1.00 0.00 C ATOM 360 CD1 LEU A 25 -4.115 -2.629 -11.205 1.00 0.00 C ATOM 361 CD2 LEU A 25 -3.705 -4.244 -9.339 1.00 0.00 C ATOM 0 H LEU A 25 0.169 -2.108 -11.079 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.280 -0.854 -11.223 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.497 -3.280 -10.555 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.543 -2.652 -8.920 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.920 -2.130 -9.142 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.181 -2.845 -11.134 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.974 -1.597 -11.528 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.656 -3.302 -11.930 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.777 -4.438 -9.294 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.235 -4.957 -10.017 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.275 -4.352 -8.343 1.00 0.00 H new ATOM 373 N ALA A 26 -0.521 0.200 -8.721 1.00 0.00 N ATOM 374 CA ALA A 26 -0.466 1.167 -7.632 1.00 0.00 C ATOM 375 C ALA A 26 -0.328 2.589 -8.167 1.00 0.00 C ATOM 376 O ALA A 26 -1.113 3.471 -7.821 1.00 0.00 O ATOM 377 CB ALA A 26 0.684 0.841 -6.692 1.00 0.00 C ATOM 0 H ALA A 26 0.383 -0.194 -8.981 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.402 1.104 -7.077 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.712 1.572 -5.884 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.541 -0.156 -6.275 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.624 0.873 -7.243 1.00 0.00 H new ATOM 383 N MET A 27 0.674 2.804 -9.012 1.00 0.00 N ATOM 384 CA MET A 27 0.914 4.118 -9.595 1.00 0.00 C ATOM 385 C MET A 27 -0.338 4.640 -10.293 1.00 0.00 C ATOM 386 O MET A 27 -0.492 5.845 -10.492 1.00 0.00 O ATOM 387 CB MET A 27 2.077 4.056 -10.588 1.00 0.00 C ATOM 388 CG MET A 27 1.647 3.720 -12.007 1.00 0.00 C ATOM 389 SD MET A 27 3.012 3.796 -13.182 1.00 0.00 S ATOM 390 CE MET A 27 2.369 4.971 -14.371 1.00 0.00 C ATOM 0 H MET A 27 1.333 2.084 -9.309 1.00 0.00 H new ATOM 0 HA MET A 27 1.172 4.804 -8.788 1.00 0.00 H new ATOM 0 HB2 MET A 27 2.593 5.016 -10.591 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.795 3.309 -10.248 1.00 0.00 H new ATOM 0 HG2 MET A 27 1.213 2.720 -12.024 1.00 0.00 H new ATOM 0 HG3 MET A 27 0.865 4.412 -12.319 1.00 0.00 H new ATOM 0 HE1 MET A 27 3.101 5.124 -15.164 1.00 0.00 H new ATOM 0 HE2 MET A 27 1.445 4.585 -14.801 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.169 5.920 -13.873 1.00 0.00 H new ATOM 400 N GLU A 28 -1.228 3.725 -10.664 1.00 0.00 N ATOM 401 CA GLU A 28 -2.467 4.095 -11.340 1.00 0.00 C ATOM 402 C GLU A 28 -3.587 4.333 -10.332 1.00 0.00 C ATOM 403 O GLU A 28 -4.572 5.007 -10.632 1.00 0.00 O ATOM 404 CB GLU A 28 -2.879 3.003 -12.330 1.00 0.00 C ATOM 405 CG GLU A 28 -1.946 2.880 -13.523 1.00 0.00 C ATOM 406 CD GLU A 28 -2.223 3.922 -14.589 1.00 0.00 C ATOM 407 OE1 GLU A 28 -3.408 4.256 -14.799 1.00 0.00 O ATOM 408 OE2 GLU A 28 -1.255 4.403 -15.215 1.00 0.00 O ATOM 0 H GLU A 28 -1.115 2.723 -10.508 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.291 5.022 -11.885 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.916 2.047 -11.808 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.887 3.210 -12.688 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.914 2.977 -13.184 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.047 1.885 -13.957 1.00 0.00 H new ATOM 415 N ASN A 29 -3.429 3.774 -9.137 1.00 0.00 N ATOM 416 CA ASN A 29 -4.428 3.924 -8.086 1.00 0.00 C ATOM 417 C ASN A 29 -3.864 4.715 -6.909 1.00 0.00 C ATOM 418 O ASN A 29 -4.439 4.723 -5.821 1.00 0.00 O ATOM 419 CB ASN A 29 -4.907 2.552 -7.609 1.00 0.00 C ATOM 420 CG ASN A 29 -5.915 1.930 -8.557 1.00 0.00 C ATOM 421 OD1 ASN A 29 -7.051 2.392 -8.664 1.00 0.00 O ATOM 422 ND2 ASN A 29 -5.502 0.876 -9.251 1.00 0.00 N ATOM 0 H ASN A 29 -2.619 3.213 -8.872 1.00 0.00 H new ATOM 0 HA ASN A 29 -5.274 4.473 -8.499 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.050 1.886 -7.506 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -5.355 2.650 -6.620 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -6.135 0.416 -9.905 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.551 0.527 -9.131 1.00 0.00 H new ATOM 429 N ASN A 30 -2.735 5.378 -7.135 1.00 0.00 N ATOM 430 CA ASN A 30 -2.092 6.171 -6.093 1.00 0.00 C ATOM 431 C ASN A 30 -1.909 5.352 -4.820 1.00 0.00 C ATOM 432 O ASN A 30 -2.296 5.782 -3.732 1.00 0.00 O ATOM 433 CB ASN A 30 -2.919 7.423 -5.795 1.00 0.00 C ATOM 434 CG ASN A 30 -3.435 8.091 -7.055 1.00 0.00 C ATOM 435 OD1 ASN A 30 -2.936 7.841 -8.151 1.00 0.00 O ATOM 436 ND2 ASN A 30 -4.438 8.947 -6.902 1.00 0.00 N ATOM 0 H ASN A 30 -2.246 5.382 -8.030 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.108 6.471 -6.453 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.762 7.155 -5.158 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.310 8.132 -5.235 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.826 9.428 -7.713 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -4.821 9.123 -5.973 1.00 0.00 H new ATOM 443 N ILE A 31 -1.318 4.171 -4.962 1.00 0.00 N ATOM 444 CA ILE A 31 -1.083 3.293 -3.824 1.00 0.00 C ATOM 445 C ILE A 31 0.409 3.103 -3.575 1.00 0.00 C ATOM 446 O ILE A 31 1.200 3.003 -4.514 1.00 0.00 O ATOM 447 CB ILE A 31 -1.737 1.914 -4.031 1.00 0.00 C ATOM 448 CG1 ILE A 31 -3.219 2.075 -4.375 1.00 0.00 C ATOM 449 CG2 ILE A 31 -1.567 1.054 -2.787 1.00 0.00 C ATOM 450 CD1 ILE A 31 -3.961 0.761 -4.479 1.00 0.00 C ATOM 0 H ILE A 31 -0.993 3.800 -5.855 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.536 3.774 -2.957 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.242 1.415 -4.864 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.695 2.693 -3.614 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.308 2.609 -5.321 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.035 0.083 -2.949 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.505 0.916 -2.582 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.039 1.546 -1.937 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.006 0.952 -4.725 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.510 0.149 -5.260 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.903 0.234 -3.527 1.00 0.00 H new ATOM 462 N LYS A 32 0.791 3.051 -2.302 1.00 0.00 N ATOM 463 CA LYS A 32 2.188 2.869 -1.928 1.00 0.00 C ATOM 464 C LYS A 32 2.499 1.396 -1.686 1.00 0.00 C ATOM 465 O LYS A 32 2.274 0.875 -0.593 1.00 0.00 O ATOM 466 CB LYS A 32 2.511 3.682 -0.673 1.00 0.00 C ATOM 467 CG LYS A 32 2.460 5.185 -0.892 1.00 0.00 C ATOM 468 CD LYS A 32 1.044 5.720 -0.760 1.00 0.00 C ATOM 469 CE LYS A 32 0.903 7.089 -1.409 1.00 0.00 C ATOM 470 NZ LYS A 32 1.364 8.180 -0.507 1.00 0.00 N ATOM 0 H LYS A 32 0.151 3.133 -1.512 1.00 0.00 H new ATOM 0 HA LYS A 32 2.808 3.222 -2.752 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.807 3.414 0.115 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.505 3.408 -0.319 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.106 5.681 -0.168 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.849 5.423 -1.882 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.346 5.023 -1.223 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.776 5.787 0.294 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.480 7.114 -2.333 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.139 7.257 -1.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.252 9.097 -0.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.797 8.173 0.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.366 8.034 -0.269 1.00 0.00 H new ATOM 484 N LEU A 33 3.019 0.729 -2.710 1.00 0.00 N ATOM 485 CA LEU A 33 3.363 -0.685 -2.608 1.00 0.00 C ATOM 486 C LEU A 33 3.933 -1.008 -1.231 1.00 0.00 C ATOM 487 O LEU A 33 3.386 -1.834 -0.500 1.00 0.00 O ATOM 488 CB LEU A 33 4.372 -1.064 -3.693 1.00 0.00 C ATOM 489 CG LEU A 33 3.784 -1.572 -5.010 1.00 0.00 C ATOM 490 CD1 LEU A 33 4.884 -2.107 -5.914 1.00 0.00 C ATOM 491 CD2 LEU A 33 2.738 -2.647 -4.747 1.00 0.00 C ATOM 0 H LEU A 33 3.212 1.145 -3.621 1.00 0.00 H new ATOM 0 HA LEU A 33 2.452 -1.267 -2.749 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.990 -0.192 -3.907 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.033 -1.833 -3.293 1.00 0.00 H new ATOM 0 HG LEU A 33 3.300 -0.737 -5.516 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.447 -2.464 -6.847 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.597 -1.311 -6.129 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.397 -2.929 -5.415 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.330 -2.997 -5.695 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.199 -3.482 -4.220 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.935 -2.232 -4.138 1.00 0.00 H new ATOM 503 N SER A 34 5.035 -0.350 -0.883 1.00 0.00 N ATOM 504 CA SER A 34 5.680 -0.569 0.405 1.00 0.00 C ATOM 505 C SER A 34 4.648 -0.627 1.528 1.00 0.00 C ATOM 506 O SER A 34 4.780 -1.412 2.466 1.00 0.00 O ATOM 507 CB SER A 34 6.694 0.542 0.688 1.00 0.00 C ATOM 508 OG SER A 34 7.630 0.141 1.674 1.00 0.00 O ATOM 0 H SER A 34 5.499 0.339 -1.475 1.00 0.00 H new ATOM 0 HA SER A 34 6.201 -1.526 0.363 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.219 0.802 -0.231 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.172 1.439 1.022 1.00 0.00 H new ATOM 0 HG SER A 34 8.267 0.868 1.835 1.00 0.00 H new ATOM 514 N GLU A 35 3.621 0.210 1.423 1.00 0.00 N ATOM 515 CA GLU A 35 2.566 0.255 2.428 1.00 0.00 C ATOM 516 C GLU A 35 1.693 -0.995 2.357 1.00 0.00 C ATOM 517 O GLU A 35 1.169 -1.459 3.369 1.00 0.00 O ATOM 518 CB GLU A 35 1.704 1.505 2.241 1.00 0.00 C ATOM 519 CG GLU A 35 2.482 2.805 2.357 1.00 0.00 C ATOM 520 CD GLU A 35 3.195 2.940 3.689 1.00 0.00 C ATOM 521 OE1 GLU A 35 4.195 2.223 3.902 1.00 0.00 O ATOM 522 OE2 GLU A 35 2.753 3.762 4.518 1.00 0.00 O ATOM 0 H GLU A 35 3.497 0.866 0.652 1.00 0.00 H new ATOM 0 HA GLU A 35 3.037 0.293 3.410 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.227 1.463 1.262 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.907 1.501 2.985 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.213 2.860 1.550 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.800 3.645 2.227 1.00 0.00 H new ATOM 529 N VAL A 36 1.538 -1.533 1.151 1.00 0.00 N ATOM 530 CA VAL A 36 0.729 -2.728 0.946 1.00 0.00 C ATOM 531 C VAL A 36 1.405 -3.959 1.540 1.00 0.00 C ATOM 532 O VAL A 36 2.509 -4.329 1.139 1.00 0.00 O ATOM 533 CB VAL A 36 0.463 -2.976 -0.551 1.00 0.00 C ATOM 534 CG1 VAL A 36 -0.543 -4.101 -0.736 1.00 0.00 C ATOM 535 CG2 VAL A 36 -0.021 -1.700 -1.224 1.00 0.00 C ATOM 0 H VAL A 36 1.962 -1.160 0.302 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.220 -2.557 1.454 1.00 0.00 H new ATOM 0 HB VAL A 36 1.398 -3.277 -1.023 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.718 -4.261 -1.800 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.152 -5.016 -0.291 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.481 -3.833 -0.250 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.204 -1.893 -2.281 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.945 -1.367 -0.751 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.739 -0.925 -1.123 1.00 0.00 H new ATOM 545 N VAL A 37 0.735 -4.590 2.499 1.00 0.00 N ATOM 546 CA VAL A 37 1.269 -5.780 3.149 1.00 0.00 C ATOM 547 C VAL A 37 1.291 -6.966 2.191 1.00 0.00 C ATOM 548 O VAL A 37 0.270 -7.615 1.967 1.00 0.00 O ATOM 549 CB VAL A 37 0.447 -6.156 4.396 1.00 0.00 C ATOM 550 CG1 VAL A 37 0.996 -7.423 5.036 1.00 0.00 C ATOM 551 CG2 VAL A 37 0.438 -5.008 5.393 1.00 0.00 C ATOM 0 H VAL A 37 -0.179 -4.296 2.843 1.00 0.00 H new ATOM 0 HA VAL A 37 2.289 -5.544 3.454 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.581 -6.349 4.088 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.403 -7.673 5.915 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.947 -8.243 4.320 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.033 -7.261 5.332 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.147 -5.291 6.268 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.460 -4.782 5.697 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.005 -4.127 4.929 1.00 0.00 H new ATOM 561 N GLY A 38 2.464 -7.245 1.629 1.00 0.00 N ATOM 562 CA GLY A 38 2.596 -8.354 0.703 1.00 0.00 C ATOM 563 C GLY A 38 2.192 -9.678 1.320 1.00 0.00 C ATOM 564 O GLY A 38 2.236 -9.841 2.539 1.00 0.00 O ATOM 0 H GLY A 38 3.324 -6.723 1.799 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.980 -8.164 -0.176 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.629 -8.417 0.361 1.00 0.00 H new ATOM 627 N ARG A 44 6.145 -11.006 -1.312 1.00 0.00 N ATOM 628 CA ARG A 44 5.813 -10.512 -2.642 1.00 0.00 C ATOM 629 C ARG A 44 4.356 -10.062 -2.708 1.00 0.00 C ATOM 630 O ARG A 44 3.440 -10.877 -2.597 1.00 0.00 O ATOM 631 CB ARG A 44 6.071 -11.595 -3.691 1.00 0.00 C ATOM 632 CG ARG A 44 5.459 -11.288 -5.048 1.00 0.00 C ATOM 633 CD ARG A 44 5.377 -12.533 -5.917 1.00 0.00 C ATOM 634 NE ARG A 44 6.697 -13.088 -6.203 1.00 0.00 N ATOM 635 CZ ARG A 44 6.898 -14.132 -7.000 1.00 0.00 C ATOM 636 NH1 ARG A 44 5.870 -14.730 -7.588 1.00 0.00 N ATOM 637 NH2 ARG A 44 8.130 -14.579 -7.212 1.00 0.00 N ATOM 0 HA ARG A 44 6.450 -9.653 -2.852 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.147 -11.726 -3.808 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.672 -12.542 -3.328 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.461 -10.871 -4.912 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.055 -10.529 -5.554 1.00 0.00 H new ATOM 0 HD2 ARG A 44 4.768 -13.285 -5.416 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.875 -12.289 -6.854 1.00 0.00 H new ATOM 0 HE ARG A 44 7.509 -12.650 -5.767 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.922 -14.389 -7.429 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.028 -15.531 -8.199 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.923 -14.121 -6.763 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.283 -15.380 -7.824 1.00 0.00 H new ATOM 651 N ILE A 45 4.151 -8.762 -2.887 1.00 0.00 N ATOM 652 CA ILE A 45 2.806 -8.205 -2.968 1.00 0.00 C ATOM 653 C ILE A 45 2.089 -8.680 -4.227 1.00 0.00 C ATOM 654 O ILE A 45 2.461 -8.313 -5.343 1.00 0.00 O ATOM 655 CB ILE A 45 2.833 -6.665 -2.956 1.00 0.00 C ATOM 656 CG1 ILE A 45 3.682 -6.158 -1.788 1.00 0.00 C ATOM 657 CG2 ILE A 45 1.418 -6.112 -2.870 1.00 0.00 C ATOM 658 CD1 ILE A 45 4.341 -4.823 -2.056 1.00 0.00 C ATOM 0 H ILE A 45 4.899 -8.074 -2.979 1.00 0.00 H new ATOM 0 HA ILE A 45 2.265 -8.558 -2.090 1.00 0.00 H new ATOM 0 HB ILE A 45 3.283 -6.316 -3.886 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.053 -6.072 -0.902 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.452 -6.896 -1.562 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.453 -5.023 -2.862 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.842 -6.451 -3.731 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.944 -6.466 -1.955 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.926 -4.525 -1.186 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.997 -4.908 -2.923 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.576 -4.072 -2.253 1.00 0.00 H new ATOM 670 N LEU A 46 1.058 -9.497 -4.041 1.00 0.00 N ATOM 671 CA LEU A 46 0.286 -10.021 -5.162 1.00 0.00 C ATOM 672 C LEU A 46 -0.720 -8.989 -5.661 1.00 0.00 C ATOM 673 O LEU A 46 -1.181 -8.137 -4.900 1.00 0.00 O ATOM 674 CB LEU A 46 -0.441 -11.303 -4.751 1.00 0.00 C ATOM 675 CG LEU A 46 0.439 -12.533 -4.529 1.00 0.00 C ATOM 676 CD1 LEU A 46 1.001 -12.539 -3.116 1.00 0.00 C ATOM 677 CD2 LEU A 46 -0.347 -13.807 -4.798 1.00 0.00 C ATOM 0 H LEU A 46 0.738 -9.811 -3.125 1.00 0.00 H new ATOM 0 HA LEU A 46 0.978 -10.247 -5.973 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.992 -11.105 -3.832 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.177 -11.542 -5.519 1.00 0.00 H new ATOM 0 HG LEU A 46 1.273 -12.490 -5.229 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.625 -13.422 -2.976 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.601 -11.642 -2.959 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.181 -12.557 -2.398 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.296 -14.672 -4.635 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.201 -13.857 -4.123 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.699 -13.806 -5.829 1.00 0.00 H new ATOM 689 N LYS A 47 -1.060 -9.072 -6.943 1.00 0.00 N ATOM 690 CA LYS A 47 -2.015 -8.149 -7.543 1.00 0.00 C ATOM 691 C LYS A 47 -3.237 -7.970 -6.647 1.00 0.00 C ATOM 692 O LYS A 47 -3.748 -6.862 -6.495 1.00 0.00 O ATOM 693 CB LYS A 47 -2.449 -8.656 -8.920 1.00 0.00 C ATOM 694 CG LYS A 47 -3.629 -7.898 -9.503 1.00 0.00 C ATOM 695 CD LYS A 47 -3.985 -8.402 -10.891 1.00 0.00 C ATOM 696 CE LYS A 47 -5.231 -7.717 -11.431 1.00 0.00 C ATOM 697 NZ LYS A 47 -5.296 -7.774 -12.917 1.00 0.00 N ATOM 0 H LYS A 47 -0.688 -9.770 -7.587 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.525 -7.182 -7.656 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.606 -8.583 -9.607 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.708 -9.712 -8.844 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.491 -8.003 -8.845 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.392 -6.835 -9.551 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.149 -8.226 -11.568 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.147 -9.479 -10.857 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.117 -8.192 -11.010 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.243 -6.676 -11.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.160 -7.296 -13.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.463 -7.299 -13.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.311 -8.767 -13.226 1.00 0.00 H new ATOM 711 N GLU A 48 -3.697 -9.068 -6.056 1.00 0.00 N ATOM 712 CA GLU A 48 -4.858 -9.031 -5.175 1.00 0.00 C ATOM 713 C GLU A 48 -4.650 -8.029 -4.042 1.00 0.00 C ATOM 714 O GLU A 48 -5.560 -7.284 -3.682 1.00 0.00 O ATOM 715 CB GLU A 48 -5.133 -10.420 -4.597 1.00 0.00 C ATOM 716 CG GLU A 48 -5.325 -11.492 -5.656 1.00 0.00 C ATOM 717 CD GLU A 48 -6.772 -11.635 -6.089 1.00 0.00 C ATOM 718 OE1 GLU A 48 -7.640 -11.804 -5.207 1.00 0.00 O ATOM 719 OE2 GLU A 48 -7.034 -11.578 -7.307 1.00 0.00 O ATOM 0 H GLU A 48 -3.284 -9.993 -6.171 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.718 -8.714 -5.764 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.304 -10.705 -3.949 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -6.025 -10.374 -3.972 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.712 -11.252 -6.525 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.970 -12.447 -5.269 1.00 0.00 H new ATOM 726 N ASP A 49 -3.444 -8.020 -3.485 1.00 0.00 N ATOM 727 CA ASP A 49 -3.114 -7.110 -2.392 1.00 0.00 C ATOM 728 C ASP A 49 -3.524 -5.681 -2.733 1.00 0.00 C ATOM 729 O ASP A 49 -4.025 -4.949 -1.879 1.00 0.00 O ATOM 730 CB ASP A 49 -1.616 -7.165 -2.090 1.00 0.00 C ATOM 731 CG ASP A 49 -1.196 -8.489 -1.482 1.00 0.00 C ATOM 732 OD1 ASP A 49 -1.988 -9.063 -0.703 1.00 0.00 O ATOM 733 OD2 ASP A 49 -0.077 -8.953 -1.784 1.00 0.00 O ATOM 0 H ASP A 49 -2.679 -8.631 -3.771 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.667 -7.427 -1.508 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.056 -6.997 -3.010 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.356 -6.356 -1.407 1.00 0.00 H new ATOM 738 N ILE A 50 -3.309 -5.291 -3.985 1.00 0.00 N ATOM 739 CA ILE A 50 -3.657 -3.950 -4.437 1.00 0.00 C ATOM 740 C ILE A 50 -5.152 -3.690 -4.288 1.00 0.00 C ATOM 741 O ILE A 50 -5.564 -2.653 -3.766 1.00 0.00 O ATOM 742 CB ILE A 50 -3.254 -3.729 -5.907 1.00 0.00 C ATOM 743 CG1 ILE A 50 -1.741 -3.899 -6.075 1.00 0.00 C ATOM 744 CG2 ILE A 50 -3.692 -2.349 -6.376 1.00 0.00 C ATOM 745 CD1 ILE A 50 -0.940 -2.726 -5.553 1.00 0.00 C ATOM 0 H ILE A 50 -2.896 -5.885 -4.704 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.104 -3.252 -3.808 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.756 -4.476 -6.522 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.425 -4.804 -5.556 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.515 -4.042 -7.132 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.400 -2.209 -7.417 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.775 -2.262 -6.288 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.215 -1.587 -5.759 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.123 -2.915 -5.705 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.228 -1.822 -6.089 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.137 -2.596 -4.489 1.00 0.00 H new ATOM 757 N LEU A 51 -5.961 -4.638 -4.748 1.00 0.00 N ATOM 758 CA LEU A 51 -7.412 -4.513 -4.664 1.00 0.00 C ATOM 759 C LEU A 51 -7.879 -4.553 -3.212 1.00 0.00 C ATOM 760 O LEU A 51 -8.969 -4.084 -2.888 1.00 0.00 O ATOM 761 CB LEU A 51 -8.086 -5.632 -5.460 1.00 0.00 C ATOM 762 CG LEU A 51 -7.886 -5.593 -6.975 1.00 0.00 C ATOM 763 CD1 LEU A 51 -8.091 -6.975 -7.576 1.00 0.00 C ATOM 764 CD2 LEU A 51 -8.833 -4.587 -7.612 1.00 0.00 C ATOM 0 H LEU A 51 -5.637 -5.502 -5.183 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.695 -3.551 -5.090 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.716 -6.588 -5.089 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.156 -5.603 -5.254 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.863 -5.278 -7.179 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.945 -6.928 -8.655 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.372 -7.671 -7.142 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.103 -7.318 -7.362 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.677 -4.573 -8.691 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.863 -4.871 -7.398 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.638 -3.595 -7.204 1.00 0.00 H new ATOM 776 N ASN A 52 -7.045 -5.114 -2.343 1.00 0.00 N ATOM 777 CA ASN A 52 -7.371 -5.213 -0.925 1.00 0.00 C ATOM 778 C ASN A 52 -6.905 -3.971 -0.171 1.00 0.00 C ATOM 779 O ASN A 52 -7.444 -3.634 0.883 1.00 0.00 O ATOM 780 CB ASN A 52 -6.730 -6.462 -0.318 1.00 0.00 C ATOM 781 CG ASN A 52 -7.424 -7.739 -0.755 1.00 0.00 C ATOM 782 OD1 ASN A 52 -8.514 -7.702 -1.324 1.00 0.00 O ATOM 783 ND2 ASN A 52 -6.791 -8.876 -0.490 1.00 0.00 N ATOM 0 H ASN A 52 -6.138 -5.507 -2.596 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.454 -5.288 -0.832 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.680 -6.505 -0.607 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -6.759 -6.390 0.769 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -7.208 -9.767 -0.761 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.888 -8.858 -0.016 1.00 0.00 H new ATOM 790 N TYR A 53 -5.902 -3.296 -0.720 1.00 0.00 N ATOM 791 CA TYR A 53 -5.361 -2.092 -0.098 1.00 0.00 C ATOM 792 C TYR A 53 -6.238 -0.881 -0.403 1.00 0.00 C ATOM 793 O TYR A 53 -6.206 0.120 0.315 1.00 0.00 O ATOM 794 CB TYR A 53 -3.934 -1.839 -0.586 1.00 0.00 C ATOM 795 CG TYR A 53 -3.385 -0.490 -0.177 1.00 0.00 C ATOM 796 CD1 TYR A 53 -3.913 0.685 -0.699 1.00 0.00 C ATOM 797 CD2 TYR A 53 -2.338 -0.390 0.731 1.00 0.00 C ATOM 798 CE1 TYR A 53 -3.414 1.919 -0.329 1.00 0.00 C ATOM 799 CE2 TYR A 53 -1.834 0.839 1.109 1.00 0.00 C ATOM 800 CZ TYR A 53 -2.375 1.990 0.576 1.00 0.00 C ATOM 801 OH TYR A 53 -1.875 3.217 0.948 1.00 0.00 O ATOM 0 H TYR A 53 -5.447 -3.561 -1.594 1.00 0.00 H new ATOM 0 HA TYR A 53 -5.347 -2.245 0.981 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.282 -2.621 -0.197 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.911 -1.917 -1.673 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.728 0.632 -1.406 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.911 -1.290 1.149 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.835 2.822 -0.746 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.021 0.898 1.818 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.147 3.092 1.593 1.00 0.00 H new ATOM 811 N LEU A 54 -7.021 -0.980 -1.472 1.00 0.00 N ATOM 812 CA LEU A 54 -7.908 0.106 -1.873 1.00 0.00 C ATOM 813 C LEU A 54 -9.170 0.123 -1.016 1.00 0.00 C ATOM 814 O LEU A 54 -9.616 1.181 -0.573 1.00 0.00 O ATOM 815 CB LEU A 54 -8.283 -0.034 -3.349 1.00 0.00 C ATOM 816 CG LEU A 54 -7.190 0.328 -4.356 1.00 0.00 C ATOM 817 CD1 LEU A 54 -7.537 -0.208 -5.736 1.00 0.00 C ATOM 818 CD2 LEU A 54 -6.985 1.835 -4.403 1.00 0.00 C ATOM 0 H LEU A 54 -7.059 -1.801 -2.076 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.378 1.047 -1.726 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.589 -1.065 -3.529 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -9.152 0.595 -3.544 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.258 -0.135 -4.033 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.748 0.059 -6.439 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.631 -1.293 -5.692 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.481 0.225 -6.068 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.204 2.074 -5.125 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.915 2.320 -4.701 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.689 2.193 -3.417 1.00 0.00 H new ATOM 830 N GLU A 55 -9.738 -1.056 -0.785 1.00 0.00 N ATOM 831 CA GLU A 55 -10.948 -1.176 0.021 1.00 0.00 C ATOM 832 C GLU A 55 -10.740 -0.575 1.407 1.00 0.00 C ATOM 833 O GLU A 55 -11.691 -0.147 2.061 1.00 0.00 O ATOM 834 CB GLU A 55 -11.361 -2.644 0.146 1.00 0.00 C ATOM 835 CG GLU A 55 -10.683 -3.370 1.295 1.00 0.00 C ATOM 836 CD GLU A 55 -11.236 -4.767 1.510 1.00 0.00 C ATOM 837 OE1 GLU A 55 -11.665 -5.394 0.519 1.00 0.00 O ATOM 838 OE2 GLU A 55 -11.239 -5.231 2.670 1.00 0.00 O ATOM 0 H GLU A 55 -9.380 -1.941 -1.144 1.00 0.00 H new ATOM 0 HA GLU A 55 -11.743 -0.624 -0.480 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -12.441 -2.699 0.279 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.128 -3.159 -0.786 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.613 -3.433 1.099 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.806 -2.790 2.210 1.00 0.00 H new