USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 535 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 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -1.83 K(o=-1.8,f=-3.7!) USER MOD Single : A 36 THR OG1 : rot 180:sc= -1.12 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 263 N ARG A 24 -6.919 -4.089 -3.759 1.00 0.00 N ATOM 264 CA ARG A 24 -5.552 -3.610 -3.882 1.00 0.00 C ATOM 265 C ARG A 24 -5.458 -2.152 -3.427 1.00 0.00 C ATOM 266 O ARG A 24 -6.124 -1.280 -3.985 1.00 0.00 O ATOM 267 CB ARG A 24 -5.059 -3.719 -5.326 1.00 0.00 C ATOM 268 CG ARG A 24 -5.791 -2.728 -6.233 1.00 0.00 C ATOM 269 CD ARG A 24 -5.830 -3.232 -7.677 1.00 0.00 C ATOM 270 NE ARG A 24 -6.586 -2.282 -8.524 1.00 0.00 N ATOM 271 CZ ARG A 24 -7.025 -2.563 -9.758 1.00 0.00 C ATOM 272 NH1 ARG A 24 -6.787 -3.766 -10.298 1.00 0.00 N ATOM 273 NH2 ARG A 24 -7.703 -1.639 -10.454 1.00 0.00 N ATOM 0 HA ARG A 24 -4.923 -4.234 -3.247 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -3.987 -3.527 -5.363 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.214 -4.734 -5.691 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -6.807 -2.578 -5.869 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.293 -1.759 -6.196 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.815 -3.345 -8.059 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.296 -4.217 -7.715 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.785 -1.356 -8.145 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.271 -4.469 -9.769 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.122 -3.978 -11.238 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.884 -0.723 -10.044 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.038 -1.852 -11.394 1.00 0.00 H new ATOM 287 N ILE A 25 -4.627 -1.932 -2.419 1.00 0.00 N ATOM 288 CA ILE A 25 -4.437 -0.595 -1.884 1.00 0.00 C ATOM 289 C ILE A 25 -2.959 -0.215 -1.983 1.00 0.00 C ATOM 290 O ILE A 25 -2.085 -1.074 -1.872 1.00 0.00 O ATOM 291 CB ILE A 25 -5.002 -0.502 -0.465 1.00 0.00 C ATOM 292 CG1 ILE A 25 -4.308 -1.496 0.468 1.00 0.00 C ATOM 293 CG2 ILE A 25 -6.521 -0.681 -0.466 1.00 0.00 C ATOM 294 CD1 ILE A 25 -4.130 -0.903 1.868 1.00 0.00 C ATOM 0 H ILE A 25 -4.078 -2.658 -1.959 1.00 0.00 H new ATOM 0 HA ILE A 25 -4.993 0.134 -2.473 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.796 0.497 -0.081 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.895 -2.413 0.529 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.335 -1.767 0.058 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.896 -0.610 0.555 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.979 0.098 -1.076 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.772 -1.658 -0.878 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.634 -1.630 2.511 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.523 0.000 1.806 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.106 -0.656 2.285 1.00 0.00 H new ATOM 306 N TYR A 26 -2.724 1.072 -2.192 1.00 0.00 N ATOM 307 CA TYR A 26 -1.366 1.576 -2.308 1.00 0.00 C ATOM 308 C TYR A 26 -0.944 2.313 -1.036 1.00 0.00 C ATOM 309 O TYR A 26 -1.667 3.180 -0.547 1.00 0.00 O ATOM 310 CB TYR A 26 -1.382 2.565 -3.475 1.00 0.00 C ATOM 311 CG TYR A 26 -0.074 3.339 -3.652 1.00 0.00 C ATOM 312 CD1 TYR A 26 0.960 2.789 -4.382 1.00 0.00 C ATOM 313 CD2 TYR A 26 0.072 4.588 -3.083 1.00 0.00 C ATOM 314 CE1 TYR A 26 2.191 3.517 -4.549 1.00 0.00 C ATOM 315 CE2 TYR A 26 1.303 5.316 -3.249 1.00 0.00 C ATOM 316 CZ TYR A 26 2.302 4.745 -3.974 1.00 0.00 C ATOM 317 OH TYR A 26 3.464 5.433 -4.132 1.00 0.00 O ATOM 0 H TYR A 26 -3.451 1.781 -2.284 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.664 0.756 -2.464 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.598 2.022 -4.395 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.195 3.275 -3.325 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.846 1.812 -4.828 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.738 5.019 -2.513 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.008 3.098 -5.118 1.00 0.00 H new ATOM 0 HE2 TYR A 26 1.430 6.293 -2.808 1.00 0.00 H new ATOM 0 HH TYR A 26 3.400 6.294 -3.668 1.00 0.00 H new ATOM 327 N VAL A 27 0.225 1.941 -0.535 1.00 0.00 N ATOM 328 CA VAL A 27 0.752 2.556 0.672 1.00 0.00 C ATOM 329 C VAL A 27 2.056 3.283 0.340 1.00 0.00 C ATOM 330 O VAL A 27 3.051 2.651 -0.013 1.00 0.00 O ATOM 331 CB VAL A 27 0.917 1.501 1.768 1.00 0.00 C ATOM 332 CG1 VAL A 27 1.470 2.125 3.050 1.00 0.00 C ATOM 333 CG2 VAL A 27 -0.404 0.777 2.035 1.00 0.00 C ATOM 0 H VAL A 27 0.822 1.222 -0.943 1.00 0.00 H new ATOM 0 HA VAL A 27 0.055 3.299 1.058 1.00 0.00 H new ATOM 0 HB VAL A 27 1.638 0.763 1.417 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.578 1.354 3.813 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.443 2.573 2.847 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.784 2.894 3.406 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.259 0.033 2.818 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.156 1.498 2.355 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.739 0.284 1.123 1.00 0.00 H new ATOM 343 N GLY A 28 2.010 4.601 0.466 1.00 0.00 N ATOM 344 CA GLY A 28 3.177 5.421 0.184 1.00 0.00 C ATOM 345 C GLY A 28 3.676 6.118 1.451 1.00 0.00 C ATOM 346 O GLY A 28 3.133 5.907 2.535 1.00 0.00 O ATOM 0 H GLY A 28 1.183 5.122 0.759 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.971 4.800 -0.230 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.928 6.166 -0.572 1.00 0.00 H new ATOM 350 N ASN A 29 4.703 6.935 1.273 1.00 0.00 N ATOM 351 CA ASN A 29 5.282 7.665 2.389 1.00 0.00 C ATOM 352 C ASN A 29 5.752 6.672 3.453 1.00 0.00 C ATOM 353 O ASN A 29 5.428 6.819 4.631 1.00 0.00 O ATOM 354 CB ASN A 29 4.251 8.595 3.032 1.00 0.00 C ATOM 355 CG ASN A 29 3.851 9.717 2.072 1.00 0.00 C ATOM 356 OD1 ASN A 29 3.589 9.503 0.900 1.00 0.00 O ATOM 357 ND2 ASN A 29 3.819 10.923 2.633 1.00 0.00 N ATOM 0 H ASN A 29 5.150 7.108 0.373 1.00 0.00 H new ATOM 0 HA ASN A 29 6.115 8.257 2.010 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.368 8.023 3.317 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.662 9.023 3.946 1.00 0.00 H new ATOM 0 HD21 ASN A 29 3.564 11.738 2.076 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.050 11.032 3.620 1.00 0.00 H new ATOM 364 N LEU A 30 6.507 5.682 3.001 1.00 0.00 N ATOM 365 CA LEU A 30 7.025 4.665 3.900 1.00 0.00 C ATOM 366 C LEU A 30 8.491 4.969 4.217 1.00 0.00 C ATOM 367 O LEU A 30 9.150 5.701 3.481 1.00 0.00 O ATOM 368 CB LEU A 30 6.799 3.268 3.316 1.00 0.00 C ATOM 369 CG LEU A 30 5.369 2.731 3.396 1.00 0.00 C ATOM 370 CD1 LEU A 30 5.108 1.701 2.296 1.00 0.00 C ATOM 371 CD2 LEU A 30 5.070 2.172 4.788 1.00 0.00 C ATOM 0 H LEU A 30 6.773 5.562 2.023 1.00 0.00 H new ATOM 0 HA LEU A 30 6.484 4.682 4.846 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.103 3.280 2.269 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.458 2.569 3.832 1.00 0.00 H new ATOM 0 HG LEU A 30 4.683 3.561 3.229 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.084 1.335 2.376 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.253 2.166 1.321 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.801 0.867 2.407 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.047 1.797 4.817 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.761 1.359 5.010 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.188 2.961 5.530 1.00 0.00 H new ATOM 383 N PRO A 31 8.970 4.376 5.344 1.00 0.00 N ATOM 384 CA PRO A 31 10.345 4.576 5.768 1.00 0.00 C ATOM 385 C PRO A 31 11.311 3.774 4.893 1.00 0.00 C ATOM 386 O PRO A 31 10.891 2.887 4.152 1.00 0.00 O ATOM 387 CB PRO A 31 10.373 4.152 7.227 1.00 0.00 C ATOM 388 CG PRO A 31 9.134 3.296 7.436 1.00 0.00 C ATOM 389 CD PRO A 31 8.218 3.503 6.240 1.00 0.00 C ATOM 0 HA PRO A 31 10.671 5.611 5.662 1.00 0.00 H new ATOM 0 HB2 PRO A 31 11.279 3.590 7.453 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.364 5.020 7.886 1.00 0.00 H new ATOM 0 HG2 PRO A 31 9.407 2.245 7.530 1.00 0.00 H new ATOM 0 HG3 PRO A 31 8.627 3.577 8.359 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.975 2.556 5.758 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.274 3.960 6.538 1.00 0.00 H new ATOM 397 N PRO A 32 12.620 4.124 5.011 1.00 0.00 N ATOM 398 CA PRO A 32 13.648 3.447 4.240 1.00 0.00 C ATOM 399 C PRO A 32 13.933 2.056 4.810 1.00 0.00 C ATOM 400 O PRO A 32 14.391 1.169 4.091 1.00 0.00 O ATOM 401 CB PRO A 32 14.854 4.370 4.297 1.00 0.00 C ATOM 402 CG PRO A 32 14.612 5.301 5.474 1.00 0.00 C ATOM 403 CD PRO A 32 13.153 5.170 5.879 1.00 0.00 C ATOM 0 HA PRO A 32 13.349 3.267 3.207 1.00 0.00 H new ATOM 0 HB2 PRO A 32 15.774 3.802 4.431 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.959 4.933 3.369 1.00 0.00 H new ATOM 0 HG2 PRO A 32 15.264 5.040 6.307 1.00 0.00 H new ATOM 0 HG3 PRO A 32 14.841 6.331 5.200 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.057 4.899 6.930 1.00 0.00 H new ATOM 0 HD3 PRO A 32 12.618 6.110 5.741 1.00 0.00 H new ATOM 411 N ASP A 33 13.650 1.908 6.096 1.00 0.00 N ATOM 412 CA ASP A 33 13.870 0.640 6.770 1.00 0.00 C ATOM 413 C ASP A 33 12.533 -0.088 6.927 1.00 0.00 C ATOM 414 O ASP A 33 12.261 -0.673 7.974 1.00 0.00 O ATOM 415 CB ASP A 33 14.460 0.853 8.165 1.00 0.00 C ATOM 416 CG ASP A 33 13.523 1.532 9.166 1.00 0.00 C ATOM 417 OD1 ASP A 33 13.186 2.709 8.919 1.00 0.00 O ATOM 418 OD2 ASP A 33 13.166 0.858 10.157 1.00 0.00 O ATOM 0 H ASP A 33 13.270 2.646 6.689 1.00 0.00 H new ATOM 0 HA ASP A 33 14.567 0.055 6.170 1.00 0.00 H new ATOM 0 HB2 ASP A 33 14.759 -0.115 8.568 1.00 0.00 H new ATOM 0 HB3 ASP A 33 15.365 1.453 8.073 1.00 0.00 H new ATOM 423 N ILE A 34 11.735 -0.028 5.872 1.00 0.00 N ATOM 424 CA ILE A 34 10.433 -0.673 5.880 1.00 0.00 C ATOM 425 C ILE A 34 10.532 -2.019 5.158 1.00 0.00 C ATOM 426 O ILE A 34 11.439 -2.232 4.355 1.00 0.00 O ATOM 427 CB ILE A 34 9.369 0.259 5.299 1.00 0.00 C ATOM 428 CG1 ILE A 34 7.974 -0.123 5.798 1.00 0.00 C ATOM 429 CG2 ILE A 34 9.442 0.292 3.771 1.00 0.00 C ATOM 430 CD1 ILE A 34 7.826 0.171 7.292 1.00 0.00 C ATOM 0 H ILE A 34 11.965 0.458 5.005 1.00 0.00 H new ATOM 0 HA ILE A 34 10.117 -0.881 6.902 1.00 0.00 H new ATOM 0 HB ILE A 34 9.572 1.270 5.652 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.220 0.430 5.238 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.795 -1.182 5.613 1.00 0.00 H new ATOM 0 HG21 ILE A 34 8.674 0.962 3.384 1.00 0.00 H new ATOM 0 HG22 ILE A 34 10.424 0.648 3.461 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.279 -0.711 3.377 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.825 -0.110 7.621 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.566 -0.402 7.851 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.981 1.235 7.471 1.00 0.00 H new ATOM 442 N ARG A 35 9.585 -2.892 5.469 1.00 0.00 N ATOM 443 CA ARG A 35 9.554 -4.211 4.860 1.00 0.00 C ATOM 444 C ARG A 35 8.163 -4.500 4.292 1.00 0.00 C ATOM 445 O ARG A 35 7.250 -3.689 4.434 1.00 0.00 O ATOM 446 CB ARG A 35 9.918 -5.295 5.876 1.00 0.00 C ATOM 447 CG ARG A 35 11.367 -5.144 6.345 1.00 0.00 C ATOM 448 CD ARG A 35 11.873 -6.436 6.988 1.00 0.00 C ATOM 449 NE ARG A 35 13.320 -6.601 6.723 1.00 0.00 N ATOM 450 CZ ARG A 35 14.008 -7.721 6.979 1.00 0.00 C ATOM 451 NH1 ARG A 35 13.386 -8.783 7.509 1.00 0.00 N ATOM 452 NH2 ARG A 35 15.318 -7.780 6.705 1.00 0.00 N ATOM 0 H ARG A 35 8.834 -2.712 6.135 1.00 0.00 H new ATOM 0 HA ARG A 35 10.289 -4.222 4.055 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.247 -5.235 6.733 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.778 -6.279 5.429 1.00 0.00 H new ATOM 0 HG2 ARG A 35 12.002 -4.882 5.498 1.00 0.00 H new ATOM 0 HG3 ARG A 35 11.438 -4.325 7.061 1.00 0.00 H new ATOM 0 HD2 ARG A 35 11.692 -6.412 8.063 1.00 0.00 H new ATOM 0 HD3 ARG A 35 11.323 -7.289 6.591 1.00 0.00 H new ATOM 0 HE ARG A 35 13.825 -5.812 6.320 1.00 0.00 H new ATOM 0 HH11 ARG A 35 12.389 -8.738 7.717 1.00 0.00 H new ATOM 0 HH12 ARG A 35 13.910 -9.636 7.704 1.00 0.00 H new ATOM 0 HH21 ARG A 35 15.792 -6.972 6.301 1.00 0.00 H new ATOM 0 HH22 ARG A 35 15.842 -8.633 6.900 1.00 0.00 H new ATOM 466 N THR A 36 8.046 -5.660 3.661 1.00 0.00 N ATOM 467 CA THR A 36 6.782 -6.066 3.071 1.00 0.00 C ATOM 468 C THR A 36 5.934 -6.822 4.096 1.00 0.00 C ATOM 469 O THR A 36 4.712 -6.882 3.972 1.00 0.00 O ATOM 470 CB THR A 36 7.088 -6.883 1.815 1.00 0.00 C ATOM 471 OG1 THR A 36 8.000 -6.068 1.084 1.00 0.00 O ATOM 472 CG2 THR A 36 5.877 -7.010 0.889 1.00 0.00 C ATOM 0 H THR A 36 8.806 -6.331 3.546 1.00 0.00 H new ATOM 0 HA THR A 36 6.187 -5.202 2.777 1.00 0.00 H new ATOM 0 HB THR A 36 7.430 -7.877 2.104 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.253 -6.523 0.254 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.149 -7.599 0.013 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.063 -7.504 1.420 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.555 -6.018 0.573 1.00 0.00 H new ATOM 480 N LYS A 37 6.616 -7.380 5.085 1.00 0.00 N ATOM 481 CA LYS A 37 5.941 -8.130 6.130 1.00 0.00 C ATOM 482 C LYS A 37 5.481 -7.167 7.227 1.00 0.00 C ATOM 483 O LYS A 37 4.330 -7.215 7.657 1.00 0.00 O ATOM 484 CB LYS A 37 6.835 -9.262 6.641 1.00 0.00 C ATOM 485 CG LYS A 37 6.000 -10.477 7.050 1.00 0.00 C ATOM 486 CD LYS A 37 6.356 -11.698 6.199 1.00 0.00 C ATOM 487 CE LYS A 37 5.727 -12.969 6.773 1.00 0.00 C ATOM 488 NZ LYS A 37 6.591 -14.141 6.505 1.00 0.00 N ATOM 0 H LYS A 37 7.630 -7.328 5.185 1.00 0.00 H new ATOM 0 HA LYS A 37 5.048 -8.614 5.735 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.545 -9.548 5.865 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.418 -8.913 7.493 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.169 -10.701 8.103 1.00 0.00 H new ATOM 0 HG3 LYS A 37 4.940 -10.248 6.939 1.00 0.00 H new ATOM 0 HD2 LYS A 37 6.010 -11.546 5.177 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.439 -11.812 6.155 1.00 0.00 H new ATOM 0 HE2 LYS A 37 5.580 -12.856 7.847 1.00 0.00 H new ATOM 0 HE3 LYS A 37 4.743 -13.126 6.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 6.150 -14.995 6.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 6.710 -14.257 5.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.521 -13.995 6.947 1.00 0.00 H new ATOM 502 N ASP A 38 6.404 -6.314 7.646 1.00 0.00 N ATOM 503 CA ASP A 38 6.107 -5.341 8.684 1.00 0.00 C ATOM 504 C ASP A 38 4.849 -4.560 8.300 1.00 0.00 C ATOM 505 O ASP A 38 4.032 -4.232 9.159 1.00 0.00 O ATOM 506 CB ASP A 38 7.254 -4.341 8.845 1.00 0.00 C ATOM 507 CG ASP A 38 8.574 -4.943 9.332 1.00 0.00 C ATOM 508 OD1 ASP A 38 8.540 -6.120 9.751 1.00 0.00 O ATOM 509 OD2 ASP A 38 9.587 -4.213 9.273 1.00 0.00 O ATOM 0 H ASP A 38 7.358 -6.276 7.286 1.00 0.00 H new ATOM 0 HA ASP A 38 5.964 -5.880 9.621 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.427 -3.852 7.886 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.945 -3.566 9.547 1.00 0.00 H new ATOM 514 N ILE A 39 4.733 -4.285 7.010 1.00 0.00 N ATOM 515 CA ILE A 39 3.588 -3.549 6.502 1.00 0.00 C ATOM 516 C ILE A 39 2.356 -4.456 6.516 1.00 0.00 C ATOM 517 O ILE A 39 1.228 -3.976 6.613 1.00 0.00 O ATOM 518 CB ILE A 39 3.899 -2.956 5.126 1.00 0.00 C ATOM 519 CG1 ILE A 39 5.079 -1.985 5.202 1.00 0.00 C ATOM 520 CG2 ILE A 39 2.657 -2.303 4.516 1.00 0.00 C ATOM 521 CD1 ILE A 39 5.494 -1.516 3.805 1.00 0.00 C ATOM 0 H ILE A 39 5.413 -4.559 6.301 1.00 0.00 H new ATOM 0 HA ILE A 39 3.366 -2.699 7.147 1.00 0.00 H new ATOM 0 HB ILE A 39 4.193 -3.769 4.462 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.807 -1.124 5.813 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.923 -2.470 5.692 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.906 -1.890 3.539 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.871 -3.050 4.405 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.308 -1.504 5.170 1.00 0.00 H new ATOM 0 HD11 ILE A 39 6.334 -0.827 3.887 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.788 -2.377 3.205 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.655 -1.010 3.327 1.00 0.00 H new ATOM 533 N GLU A 40 2.614 -5.752 6.418 1.00 0.00 N ATOM 534 CA GLU A 40 1.540 -6.731 6.418 1.00 0.00 C ATOM 535 C GLU A 40 0.922 -6.840 7.813 1.00 0.00 C ATOM 536 O GLU A 40 -0.222 -6.438 8.022 1.00 0.00 O ATOM 537 CB GLU A 40 2.040 -8.093 5.932 1.00 0.00 C ATOM 538 CG GLU A 40 1.326 -9.232 6.663 1.00 0.00 C ATOM 539 CD GLU A 40 1.362 -10.520 5.839 1.00 0.00 C ATOM 540 OE1 GLU A 40 2.336 -10.675 5.071 1.00 0.00 O ATOM 541 OE2 GLU A 40 0.415 -11.321 5.995 1.00 0.00 O ATOM 0 H GLU A 40 3.551 -6.147 6.338 1.00 0.00 H new ATOM 0 HA GLU A 40 0.768 -6.396 5.725 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.873 -8.184 4.859 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.115 -8.169 6.095 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.799 -9.401 7.630 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.291 -8.951 6.860 1.00 0.00 H new ATOM 548 N ASP A 41 1.705 -7.385 8.732 1.00 0.00 N ATOM 549 CA ASP A 41 1.249 -7.552 10.102 1.00 0.00 C ATOM 550 C ASP A 41 0.520 -6.284 10.550 1.00 0.00 C ATOM 551 O ASP A 41 -0.436 -6.352 11.321 1.00 0.00 O ATOM 552 CB ASP A 41 2.426 -7.781 11.051 1.00 0.00 C ATOM 553 CG ASP A 41 2.082 -7.703 12.539 1.00 0.00 C ATOM 554 OD1 ASP A 41 1.471 -8.675 13.033 1.00 0.00 O ATOM 555 OD2 ASP A 41 2.437 -6.672 13.150 1.00 0.00 O ATOM 0 H ASP A 41 2.653 -7.717 8.555 1.00 0.00 H new ATOM 0 HA ASP A 41 0.587 -8.418 10.134 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.855 -8.761 10.844 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.198 -7.043 10.833 1.00 0.00 H new ATOM 560 N VAL A 42 1.000 -5.155 10.048 1.00 0.00 N ATOM 561 CA VAL A 42 0.406 -3.873 10.387 1.00 0.00 C ATOM 562 C VAL A 42 -1.062 -3.866 9.958 1.00 0.00 C ATOM 563 O VAL A 42 -1.957 -3.784 10.797 1.00 0.00 O ATOM 564 CB VAL A 42 1.218 -2.738 9.759 1.00 0.00 C ATOM 565 CG1 VAL A 42 0.355 -1.490 9.565 1.00 0.00 C ATOM 566 CG2 VAL A 42 2.459 -2.423 10.596 1.00 0.00 C ATOM 0 H VAL A 42 1.793 -5.102 9.409 1.00 0.00 H new ATOM 0 HA VAL A 42 0.430 -3.714 11.465 1.00 0.00 H new ATOM 0 HB VAL A 42 1.553 -3.069 8.776 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.956 -0.698 9.117 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.483 -1.725 8.908 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.024 -1.156 10.531 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.018 -1.613 10.127 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.155 -2.122 11.598 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.090 -3.310 10.660 1.00 0.00 H new ATOM 576 N PHE A 43 -1.264 -3.954 8.651 1.00 0.00 N ATOM 577 CA PHE A 43 -2.609 -3.959 8.101 1.00 0.00 C ATOM 578 C PHE A 43 -3.371 -5.216 8.525 1.00 0.00 C ATOM 579 O PHE A 43 -4.599 -5.214 8.579 1.00 0.00 O ATOM 580 CB PHE A 43 -2.468 -3.953 6.577 1.00 0.00 C ATOM 581 CG PHE A 43 -2.266 -2.560 5.977 1.00 0.00 C ATOM 582 CD1 PHE A 43 -1.083 -1.911 6.148 1.00 0.00 C ATOM 583 CD2 PHE A 43 -3.269 -1.972 5.272 1.00 0.00 C ATOM 584 CE1 PHE A 43 -0.896 -0.619 5.590 1.00 0.00 C ATOM 585 CE2 PHE A 43 -3.082 -0.679 4.714 1.00 0.00 C ATOM 586 CZ PHE A 43 -1.899 -0.030 4.886 1.00 0.00 C ATOM 0 H PHE A 43 -0.519 -4.022 7.958 1.00 0.00 H new ATOM 0 HA PHE A 43 -3.162 -3.092 8.463 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.624 -4.584 6.298 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.359 -4.401 6.138 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.286 -2.378 6.708 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.208 -2.488 5.136 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.044 -0.104 5.725 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -3.878 -0.212 4.154 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.756 0.954 4.463 1.00 0.00 H new ATOM 596 N TYR A 44 -2.609 -6.261 8.817 1.00 0.00 N ATOM 597 CA TYR A 44 -3.197 -7.522 9.236 1.00 0.00 C ATOM 598 C TYR A 44 -4.066 -7.335 10.481 1.00 0.00 C ATOM 599 O TYR A 44 -4.870 -8.204 10.817 1.00 0.00 O ATOM 600 CB TYR A 44 -2.023 -8.440 9.581 1.00 0.00 C ATOM 601 CG TYR A 44 -2.332 -9.931 9.425 1.00 0.00 C ATOM 602 CD1 TYR A 44 -2.969 -10.613 10.441 1.00 0.00 C ATOM 603 CD2 TYR A 44 -1.974 -10.592 8.268 1.00 0.00 C ATOM 604 CE1 TYR A 44 -3.261 -12.016 10.294 1.00 0.00 C ATOM 605 CE2 TYR A 44 -2.265 -11.995 8.121 1.00 0.00 C ATOM 606 CZ TYR A 44 -2.894 -12.638 9.142 1.00 0.00 C ATOM 607 OH TYR A 44 -3.169 -13.962 9.003 1.00 0.00 O ATOM 0 H TYR A 44 -1.590 -6.260 8.772 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.830 -7.931 8.449 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.177 -8.186 8.943 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.715 -8.249 10.609 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -3.249 -10.095 11.347 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -1.476 -10.058 7.473 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.760 -12.562 11.081 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -1.990 -12.525 7.221 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.851 -14.272 8.130 1.00 0.00 H new ATOM 617 N LYS A 45 -3.875 -6.197 11.131 1.00 0.00 N ATOM 618 CA LYS A 45 -4.632 -5.885 12.332 1.00 0.00 C ATOM 619 C LYS A 45 -6.100 -5.666 11.962 1.00 0.00 C ATOM 620 O LYS A 45 -6.973 -5.696 12.828 1.00 0.00 O ATOM 621 CB LYS A 45 -4.001 -4.703 13.071 1.00 0.00 C ATOM 622 CG LYS A 45 -4.610 -3.378 12.608 1.00 0.00 C ATOM 623 CD LYS A 45 -5.654 -2.876 13.606 1.00 0.00 C ATOM 624 CE LYS A 45 -4.998 -2.058 14.721 1.00 0.00 C ATOM 625 NZ LYS A 45 -5.977 -1.762 15.791 1.00 0.00 N ATOM 0 H LYS A 45 -3.207 -5.479 10.849 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.600 -6.721 13.030 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.149 -4.820 14.145 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.925 -4.693 12.897 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.823 -2.632 12.494 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.071 -3.508 11.629 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.393 -2.265 13.088 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.187 -3.723 14.037 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.153 -2.608 15.135 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.603 -1.127 14.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.516 -1.207 16.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.770 -1.218 15.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.334 -2.653 16.191 1.00 0.00 H new ATOM 639 N TYR A 46 -6.327 -5.450 10.675 1.00 0.00 N ATOM 640 CA TYR A 46 -7.675 -5.226 10.180 1.00 0.00 C ATOM 641 C TYR A 46 -8.268 -6.513 9.603 1.00 0.00 C ATOM 642 O TYR A 46 -9.364 -6.921 9.984 1.00 0.00 O ATOM 643 CB TYR A 46 -7.546 -4.192 9.060 1.00 0.00 C ATOM 644 CG TYR A 46 -7.521 -2.743 9.550 1.00 0.00 C ATOM 645 CD1 TYR A 46 -8.688 -2.136 9.967 1.00 0.00 C ATOM 646 CD2 TYR A 46 -6.332 -2.044 9.577 1.00 0.00 C ATOM 647 CE1 TYR A 46 -8.665 -0.772 10.429 1.00 0.00 C ATOM 648 CE2 TYR A 46 -6.309 -0.680 10.039 1.00 0.00 C ATOM 649 CZ TYR A 46 -7.476 -0.111 10.442 1.00 0.00 C ATOM 650 OH TYR A 46 -7.454 1.177 10.878 1.00 0.00 O ATOM 0 H TYR A 46 -5.600 -5.425 9.960 1.00 0.00 H new ATOM 0 HA TYR A 46 -8.329 -4.891 10.985 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -6.633 -4.391 8.499 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -8.378 -4.316 8.367 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.619 -2.684 9.947 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.418 -2.520 9.252 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -9.571 -0.285 10.758 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.385 -0.122 10.065 1.00 0.00 H new ATOM 0 HH TYR A 46 -6.538 1.522 10.833 1.00 0.00 H new ATOM 660 N GLY A 47 -7.518 -7.118 8.694 1.00 0.00 N ATOM 661 CA GLY A 47 -7.956 -8.350 8.061 1.00 0.00 C ATOM 662 C GLY A 47 -6.759 -9.212 7.652 1.00 0.00 C ATOM 663 O GLY A 47 -5.752 -9.255 8.356 1.00 0.00 O ATOM 0 H GLY A 47 -6.609 -6.778 8.381 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.594 -8.908 8.746 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.558 -8.118 7.183 1.00 0.00 H new ATOM 667 N ALA A 48 -6.910 -9.877 6.516 1.00 0.00 N ATOM 668 CA ALA A 48 -5.855 -10.735 6.005 1.00 0.00 C ATOM 669 C ALA A 48 -5.401 -10.220 4.638 1.00 0.00 C ATOM 670 O ALA A 48 -6.209 -9.707 3.865 1.00 0.00 O ATOM 671 CB ALA A 48 -6.355 -12.180 5.947 1.00 0.00 C ATOM 0 H ALA A 48 -7.747 -9.839 5.935 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.990 -10.715 6.668 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.563 -12.824 5.564 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.637 -12.508 6.948 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.222 -12.239 5.288 1.00 0.00 H new ATOM 677 N ILE A 49 -4.111 -10.373 4.382 1.00 0.00 N ATOM 678 CA ILE A 49 -3.540 -9.930 3.122 1.00 0.00 C ATOM 679 C ILE A 49 -3.353 -11.136 2.199 1.00 0.00 C ATOM 680 O ILE A 49 -3.003 -12.223 2.655 1.00 0.00 O ATOM 681 CB ILE A 49 -2.254 -9.137 3.365 1.00 0.00 C ATOM 682 CG1 ILE A 49 -2.514 -7.939 4.281 1.00 0.00 C ATOM 683 CG2 ILE A 49 -1.609 -8.718 2.043 1.00 0.00 C ATOM 684 CD1 ILE A 49 -1.214 -7.447 4.921 1.00 0.00 C ATOM 0 H ILE A 49 -3.444 -10.798 5.026 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.220 -9.244 2.617 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.544 -9.787 3.877 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.970 -7.131 3.709 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.224 -8.219 5.059 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.697 -8.156 2.245 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.366 -9.606 1.459 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.303 -8.093 1.481 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.426 -6.595 5.567 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.773 -8.250 5.512 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.516 -7.145 4.140 1.00 0.00 H new ATOM 696 N ARG A 50 -3.595 -10.903 0.917 1.00 0.00 N ATOM 697 CA ARG A 50 -3.459 -11.956 -0.074 1.00 0.00 C ATOM 698 C ARG A 50 -2.053 -11.937 -0.678 1.00 0.00 C ATOM 699 O ARG A 50 -1.506 -12.985 -1.020 1.00 0.00 O ATOM 700 CB ARG A 50 -4.490 -11.797 -1.193 1.00 0.00 C ATOM 701 CG ARG A 50 -4.230 -12.795 -2.323 1.00 0.00 C ATOM 702 CD ARG A 50 -5.541 -13.229 -2.983 1.00 0.00 C ATOM 703 NE ARG A 50 -5.733 -14.687 -2.819 1.00 0.00 N ATOM 704 CZ ARG A 50 -6.681 -15.396 -3.447 1.00 0.00 C ATOM 705 NH1 ARG A 50 -7.529 -14.785 -4.285 1.00 0.00 N ATOM 706 NH2 ARG A 50 -6.780 -16.715 -3.237 1.00 0.00 N ATOM 0 H ARG A 50 -3.885 -10.000 0.542 1.00 0.00 H new ATOM 0 HA ARG A 50 -3.630 -12.908 0.428 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.493 -11.948 -0.793 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.453 -10.781 -1.585 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.575 -12.344 -3.068 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.710 -13.668 -1.929 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -6.378 -12.691 -2.537 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.526 -12.973 -4.042 1.00 0.00 H new ATOM 0 HE ARG A 50 -5.104 -15.184 -2.188 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -7.453 -13.780 -4.445 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -8.251 -15.324 -4.763 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -6.134 -17.180 -2.599 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -7.502 -17.255 -3.715 1.00 0.00 H new ATOM 720 N ASP A 51 -1.508 -10.735 -0.791 1.00 0.00 N ATOM 721 CA ASP A 51 -0.177 -10.565 -1.348 1.00 0.00 C ATOM 722 C ASP A 51 0.221 -9.090 -1.268 1.00 0.00 C ATOM 723 O ASP A 51 -0.637 -8.219 -1.132 1.00 0.00 O ATOM 724 CB ASP A 51 -0.138 -10.986 -2.819 1.00 0.00 C ATOM 725 CG ASP A 51 1.261 -11.055 -3.434 1.00 0.00 C ATOM 726 OD1 ASP A 51 1.935 -12.081 -3.198 1.00 0.00 O ATOM 727 OD2 ASP A 51 1.625 -10.081 -4.127 1.00 0.00 O ATOM 0 H ASP A 51 -1.965 -9.869 -0.506 1.00 0.00 H new ATOM 0 HA ASP A 51 0.510 -11.188 -0.776 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.609 -11.964 -2.914 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.739 -10.285 -3.398 1.00 0.00 H new ATOM 732 N ILE A 52 1.522 -8.856 -1.356 1.00 0.00 N ATOM 733 CA ILE A 52 2.044 -7.501 -1.295 1.00 0.00 C ATOM 734 C ILE A 52 3.073 -7.305 -2.410 1.00 0.00 C ATOM 735 O ILE A 52 3.826 -8.223 -2.733 1.00 0.00 O ATOM 736 CB ILE A 52 2.586 -7.198 0.103 1.00 0.00 C ATOM 737 CG1 ILE A 52 1.485 -7.325 1.157 1.00 0.00 C ATOM 738 CG2 ILE A 52 3.263 -5.827 0.143 1.00 0.00 C ATOM 739 CD1 ILE A 52 2.077 -7.640 2.533 1.00 0.00 C ATOM 0 H ILE A 52 2.230 -9.581 -1.469 1.00 0.00 H new ATOM 0 HA ILE A 52 1.247 -6.777 -1.466 1.00 0.00 H new ATOM 0 HB ILE A 52 3.348 -7.940 0.343 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.915 -6.397 1.206 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.789 -8.112 0.868 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.639 -5.636 1.148 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.092 -5.810 -0.564 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.541 -5.056 -0.126 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.273 -7.725 3.264 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.626 -8.580 2.486 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.754 -6.839 2.830 1.00 0.00 H new ATOM 751 N ASP A 53 3.074 -6.103 -2.967 1.00 0.00 N ATOM 752 CA ASP A 53 3.999 -5.775 -4.039 1.00 0.00 C ATOM 753 C ASP A 53 4.868 -4.591 -3.612 1.00 0.00 C ATOM 754 O ASP A 53 4.426 -3.443 -3.660 1.00 0.00 O ATOM 755 CB ASP A 53 3.248 -5.377 -5.311 1.00 0.00 C ATOM 756 CG ASP A 53 3.481 -6.294 -6.513 1.00 0.00 C ATOM 757 OD1 ASP A 53 4.557 -6.154 -7.134 1.00 0.00 O ATOM 758 OD2 ASP A 53 2.578 -7.115 -6.785 1.00 0.00 O ATOM 0 H ASP A 53 2.449 -5.344 -2.696 1.00 0.00 H new ATOM 0 HA ASP A 53 4.608 -6.656 -4.241 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.180 -5.354 -5.092 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.539 -4.363 -5.585 1.00 0.00 H new ATOM 763 N LEU A 54 6.087 -4.909 -3.205 1.00 0.00 N ATOM 764 CA LEU A 54 7.022 -3.885 -2.770 1.00 0.00 C ATOM 765 C LEU A 54 7.883 -3.449 -3.957 1.00 0.00 C ATOM 766 O LEU A 54 8.640 -4.248 -4.507 1.00 0.00 O ATOM 767 CB LEU A 54 7.834 -4.376 -1.569 1.00 0.00 C ATOM 768 CG LEU A 54 8.557 -3.296 -0.762 1.00 0.00 C ATOM 769 CD1 LEU A 54 9.864 -3.834 -0.174 1.00 0.00 C ATOM 770 CD2 LEU A 54 8.782 -2.040 -1.605 1.00 0.00 C ATOM 0 H LEU A 54 6.450 -5.862 -3.167 1.00 0.00 H new ATOM 0 HA LEU A 54 6.485 -3.002 -2.423 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.164 -4.915 -0.899 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.574 -5.093 -1.925 1.00 0.00 H new ATOM 0 HG LEU A 54 7.920 -3.011 0.075 1.00 0.00 H new ATOM 0 HD11 LEU A 54 10.358 -3.047 0.395 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.648 -4.676 0.484 1.00 0.00 H new ATOM 0 HD13 LEU A 54 10.518 -4.163 -0.982 1.00 0.00 H new ATOM 0 HD21 LEU A 54 9.298 -1.288 -1.007 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.388 -2.290 -2.476 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.821 -1.645 -1.934 1.00 0.00 H new ATOM 782 N LYS A 55 7.738 -2.182 -4.318 1.00 0.00 N ATOM 783 CA LYS A 55 8.492 -1.630 -5.430 1.00 0.00 C ATOM 784 C LYS A 55 9.936 -1.384 -4.989 1.00 0.00 C ATOM 785 O LYS A 55 10.828 -2.169 -5.307 1.00 0.00 O ATOM 786 CB LYS A 55 7.797 -0.384 -5.983 1.00 0.00 C ATOM 787 CG LYS A 55 6.847 -0.747 -7.125 1.00 0.00 C ATOM 788 CD LYS A 55 7.344 -0.175 -8.455 1.00 0.00 C ATOM 789 CE LYS A 55 6.238 -0.203 -9.511 1.00 0.00 C ATOM 790 NZ LYS A 55 6.816 -0.106 -10.870 1.00 0.00 N ATOM 0 H LYS A 55 7.109 -1.522 -3.860 1.00 0.00 H new ATOM 0 HA LYS A 55 8.527 -2.340 -6.256 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.241 0.110 -5.186 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.544 0.326 -6.338 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.761 -1.831 -7.201 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.850 -0.363 -6.910 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.687 0.849 -8.309 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.201 -0.751 -8.805 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.663 -1.124 -9.419 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.546 0.623 -9.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.051 -0.126 -11.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.345 0.785 -10.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.458 -0.908 -11.032 1.00 0.00 H new ATOM 880 N PRO A 61 9.949 8.158 -2.096 1.00 0.00 N ATOM 881 CA PRO A 61 9.997 7.174 -1.028 1.00 0.00 C ATOM 882 C PRO A 61 9.567 5.795 -1.534 1.00 0.00 C ATOM 883 O PRO A 61 9.093 5.664 -2.661 1.00 0.00 O ATOM 884 CB PRO A 61 9.081 7.722 0.054 1.00 0.00 C ATOM 885 CG PRO A 61 8.197 8.751 -0.631 1.00 0.00 C ATOM 886 CD PRO A 61 8.808 9.062 -1.988 1.00 0.00 C ATOM 0 HA PRO A 61 11.004 7.024 -0.639 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.482 6.927 0.499 1.00 0.00 H new ATOM 0 HB3 PRO A 61 9.657 8.176 0.860 1.00 0.00 H new ATOM 0 HG2 PRO A 61 7.184 8.366 -0.748 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.127 9.656 -0.028 1.00 0.00 H new ATOM 0 HD2 PRO A 61 8.092 8.894 -2.793 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.121 10.104 -2.052 1.00 0.00 H new ATOM 894 N PRO A 62 9.753 4.776 -0.653 1.00 0.00 N ATOM 895 CA PRO A 62 9.390 3.412 -0.998 1.00 0.00 C ATOM 896 C PRO A 62 7.873 3.221 -0.953 1.00 0.00 C ATOM 897 O PRO A 62 7.214 3.671 -0.017 1.00 0.00 O ATOM 898 CB PRO A 62 10.129 2.542 0.005 1.00 0.00 C ATOM 899 CG PRO A 62 10.504 3.461 1.157 1.00 0.00 C ATOM 900 CD PRO A 62 10.312 4.895 0.691 1.00 0.00 C ATOM 0 HA PRO A 62 9.671 3.147 -2.017 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.499 1.721 0.349 1.00 0.00 H new ATOM 0 HB3 PRO A 62 11.017 2.096 -0.444 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.881 3.256 2.027 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.538 3.293 1.458 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.639 5.440 1.353 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.257 5.438 0.680 1.00 0.00 H new ATOM 908 N PHE A 63 7.362 2.551 -1.976 1.00 0.00 N ATOM 909 CA PHE A 63 5.935 2.294 -2.065 1.00 0.00 C ATOM 910 C PHE A 63 5.661 0.819 -2.366 1.00 0.00 C ATOM 911 O PHE A 63 6.487 0.142 -2.975 1.00 0.00 O ATOM 912 CB PHE A 63 5.398 3.146 -3.218 1.00 0.00 C ATOM 913 CG PHE A 63 6.205 3.021 -4.512 1.00 0.00 C ATOM 914 CD1 PHE A 63 7.460 3.539 -4.584 1.00 0.00 C ATOM 915 CD2 PHE A 63 5.666 2.391 -5.590 1.00 0.00 C ATOM 916 CE1 PHE A 63 8.208 3.423 -5.785 1.00 0.00 C ATOM 917 CE2 PHE A 63 6.415 2.275 -6.791 1.00 0.00 C ATOM 918 CZ PHE A 63 7.670 2.793 -6.863 1.00 0.00 C ATOM 0 H PHE A 63 7.911 2.178 -2.750 1.00 0.00 H new ATOM 0 HA PHE A 63 5.453 2.540 -1.119 1.00 0.00 H new ATOM 0 HB2 PHE A 63 4.365 2.860 -3.417 1.00 0.00 H new ATOM 0 HB3 PHE A 63 5.386 4.191 -2.909 1.00 0.00 H new ATOM 0 HD1 PHE A 63 7.888 4.039 -3.727 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.669 1.979 -5.533 1.00 0.00 H new ATOM 0 HE1 PHE A 63 9.205 3.835 -5.842 1.00 0.00 H new ATOM 0 HE2 PHE A 63 5.987 1.775 -7.648 1.00 0.00 H new ATOM 0 HZ PHE A 63 8.239 2.704 -7.776 1.00 0.00 H new ATOM 928 N ALA A 64 4.497 0.365 -1.924 1.00 0.00 N ATOM 929 CA ALA A 64 4.104 -1.018 -2.138 1.00 0.00 C ATOM 930 C ALA A 64 2.578 -1.122 -2.094 1.00 0.00 C ATOM 931 O ALA A 64 1.910 -0.257 -1.531 1.00 0.00 O ATOM 932 CB ALA A 64 4.780 -1.908 -1.094 1.00 0.00 C ATOM 0 H ALA A 64 3.814 0.930 -1.419 1.00 0.00 H new ATOM 0 HA ALA A 64 4.430 -1.363 -3.119 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.485 -2.945 -1.254 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.862 -1.820 -1.187 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.475 -1.594 -0.096 1.00 0.00 H new ATOM 938 N PHE A 65 2.072 -2.189 -2.695 1.00 0.00 N ATOM 939 CA PHE A 65 0.638 -2.417 -2.731 1.00 0.00 C ATOM 940 C PHE A 65 0.248 -3.598 -1.840 1.00 0.00 C ATOM 941 O PHE A 65 1.070 -4.470 -1.564 1.00 0.00 O ATOM 942 CB PHE A 65 0.274 -2.746 -4.181 1.00 0.00 C ATOM 943 CG PHE A 65 0.353 -1.548 -5.129 1.00 0.00 C ATOM 944 CD1 PHE A 65 1.534 -1.227 -5.722 1.00 0.00 C ATOM 945 CD2 PHE A 65 -0.758 -0.804 -5.379 1.00 0.00 C ATOM 946 CE1 PHE A 65 1.608 -0.115 -6.602 1.00 0.00 C ATOM 947 CE2 PHE A 65 -0.684 0.307 -6.260 1.00 0.00 C ATOM 948 CZ PHE A 65 0.497 0.628 -6.853 1.00 0.00 C ATOM 0 H PHE A 65 2.630 -2.905 -3.161 1.00 0.00 H new ATOM 0 HA PHE A 65 0.112 -1.534 -2.369 1.00 0.00 H new ATOM 0 HB2 PHE A 65 0.941 -3.528 -4.544 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.737 -3.152 -4.208 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.416 -1.818 -5.524 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -1.696 -1.058 -4.908 1.00 0.00 H new ATOM 0 HE1 PHE A 65 2.546 0.141 -7.072 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.566 0.897 -6.459 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.553 1.473 -7.523 1.00 0.00 H new ATOM 958 N VAL A 66 -1.006 -3.587 -1.413 1.00 0.00 N ATOM 959 CA VAL A 66 -1.515 -4.646 -0.558 1.00 0.00 C ATOM 960 C VAL A 66 -2.870 -5.117 -1.089 1.00 0.00 C ATOM 961 O VAL A 66 -3.748 -4.303 -1.370 1.00 0.00 O ATOM 962 CB VAL A 66 -1.576 -4.164 0.893 1.00 0.00 C ATOM 963 CG1 VAL A 66 -1.764 -5.339 1.854 1.00 0.00 C ATOM 964 CG2 VAL A 66 -0.329 -3.354 1.254 1.00 0.00 C ATOM 0 H VAL A 66 -1.685 -2.861 -1.643 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.844 -5.505 -0.573 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.442 -3.509 0.992 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.804 -4.968 2.878 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.694 -5.856 1.619 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.928 -6.031 1.751 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.397 -3.023 2.290 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.557 -3.976 1.129 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.258 -2.485 0.600 1.00 0.00 H new ATOM 974 N GLU A 67 -2.999 -6.430 -1.210 1.00 0.00 N ATOM 975 CA GLU A 67 -4.232 -7.020 -1.702 1.00 0.00 C ATOM 976 C GLU A 67 -4.951 -7.765 -0.576 1.00 0.00 C ATOM 977 O GLU A 67 -4.466 -8.790 -0.097 1.00 0.00 O ATOM 978 CB GLU A 67 -3.962 -7.947 -2.888 1.00 0.00 C ATOM 979 CG GLU A 67 -5.212 -8.107 -3.755 1.00 0.00 C ATOM 980 CD GLU A 67 -4.956 -7.621 -5.183 1.00 0.00 C ATOM 981 OE1 GLU A 67 -4.069 -6.754 -5.337 1.00 0.00 O ATOM 982 OE2 GLU A 67 -5.652 -8.128 -6.089 1.00 0.00 O ATOM 0 H GLU A 67 -2.269 -7.103 -0.975 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.881 -6.217 -2.052 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.147 -7.545 -3.490 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.639 -8.923 -2.525 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.515 -9.154 -3.772 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.036 -7.544 -3.318 1.00 0.00 H new ATOM 989 N PHE A 68 -6.094 -7.222 -0.185 1.00 0.00 N ATOM 990 CA PHE A 68 -6.884 -7.823 0.877 1.00 0.00 C ATOM 991 C PHE A 68 -7.825 -8.894 0.321 1.00 0.00 C ATOM 992 O PHE A 68 -8.185 -8.859 -0.855 1.00 0.00 O ATOM 993 CB PHE A 68 -7.718 -6.704 1.503 1.00 0.00 C ATOM 994 CG PHE A 68 -7.020 -5.979 2.655 1.00 0.00 C ATOM 995 CD1 PHE A 68 -7.023 -6.522 3.902 1.00 0.00 C ATOM 996 CD2 PHE A 68 -6.398 -4.790 2.433 1.00 0.00 C ATOM 997 CE1 PHE A 68 -6.376 -5.849 4.972 1.00 0.00 C ATOM 998 CE2 PHE A 68 -5.750 -4.117 3.503 1.00 0.00 C ATOM 999 CZ PHE A 68 -5.753 -4.661 4.750 1.00 0.00 C ATOM 0 H PHE A 68 -6.493 -6.372 -0.584 1.00 0.00 H new ATOM 0 HA PHE A 68 -6.227 -8.297 1.606 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.971 -5.978 0.731 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -8.656 -7.124 1.866 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.518 -7.466 4.079 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.397 -4.358 1.443 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.379 -6.281 5.962 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.255 -3.173 3.327 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.261 -4.149 5.564 1.00 0.00 H new ATOM 1009 N GLU A 69 -8.195 -9.821 1.192 1.00 0.00 N ATOM 1010 CA GLU A 69 -9.087 -10.900 0.803 1.00 0.00 C ATOM 1011 C GLU A 69 -10.495 -10.358 0.547 1.00 0.00 C ATOM 1012 O GLU A 69 -11.222 -10.883 -0.296 1.00 0.00 O ATOM 1013 CB GLU A 69 -9.109 -12.003 1.863 1.00 0.00 C ATOM 1014 CG GLU A 69 -7.732 -12.656 2.003 1.00 0.00 C ATOM 1015 CD GLU A 69 -7.706 -14.029 1.328 1.00 0.00 C ATOM 1016 OE1 GLU A 69 -8.489 -14.895 1.774 1.00 0.00 O ATOM 1017 OE2 GLU A 69 -6.903 -14.181 0.382 1.00 0.00 O ATOM 0 H GLU A 69 -7.893 -9.847 2.166 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.713 -11.338 -0.122 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.416 -11.585 2.822 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.848 -12.758 1.593 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.973 -12.013 1.557 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.481 -12.761 3.058 1.00 0.00 H new ATOM 1024 N ASP A 70 -10.838 -9.315 1.289 1.00 0.00 N ATOM 1025 CA ASP A 70 -12.146 -8.697 1.152 1.00 0.00 C ATOM 1026 C ASP A 70 -11.977 -7.183 1.014 1.00 0.00 C ATOM 1027 O ASP A 70 -10.992 -6.619 1.487 1.00 0.00 O ATOM 1028 CB ASP A 70 -13.013 -8.966 2.384 1.00 0.00 C ATOM 1029 CG ASP A 70 -14.008 -10.119 2.235 1.00 0.00 C ATOM 1030 OD1 ASP A 70 -15.060 -9.883 1.603 1.00 0.00 O ATOM 1031 OD2 ASP A 70 -13.693 -11.211 2.756 1.00 0.00 O ATOM 0 H ASP A 70 -10.233 -8.882 1.987 1.00 0.00 H new ATOM 0 HA ASP A 70 -12.629 -9.120 0.271 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -12.360 -9.177 3.231 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -13.565 -8.058 2.626 1.00 0.00 H new ATOM 1036 N PRO A 71 -12.980 -6.551 0.347 1.00 0.00 N ATOM 1037 CA PRO A 71 -12.952 -5.113 0.141 1.00 0.00 C ATOM 1038 C PRO A 71 -13.295 -4.368 1.432 1.00 0.00 C ATOM 1039 O PRO A 71 -12.640 -3.386 1.779 1.00 0.00 O ATOM 1040 CB PRO A 71 -13.951 -4.857 -0.976 1.00 0.00 C ATOM 1041 CG PRO A 71 -14.837 -6.091 -1.035 1.00 0.00 C ATOM 1042 CD PRO A 71 -14.163 -7.187 -0.226 1.00 0.00 C ATOM 0 HA PRO A 71 -11.963 -4.746 -0.135 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -14.540 -3.962 -0.775 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -13.442 -4.696 -1.926 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -15.825 -5.871 -0.631 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -14.978 -6.411 -2.067 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -14.824 -7.568 0.553 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -13.891 -8.034 -0.856 1.00 0.00 H new ATOM 1050 N ARG A 72 -14.321 -4.862 2.109 1.00 0.00 N ATOM 1051 CA ARG A 72 -14.759 -4.255 3.354 1.00 0.00 C ATOM 1052 C ARG A 72 -13.550 -3.830 4.191 1.00 0.00 C ATOM 1053 O ARG A 72 -13.513 -2.718 4.715 1.00 0.00 O ATOM 1054 CB ARG A 72 -15.618 -5.224 4.168 1.00 0.00 C ATOM 1055 CG ARG A 72 -16.981 -5.438 3.505 1.00 0.00 C ATOM 1056 CD ARG A 72 -18.007 -5.956 4.515 1.00 0.00 C ATOM 1057 NE ARG A 72 -17.698 -7.358 4.876 1.00 0.00 N ATOM 1058 CZ ARG A 72 -18.478 -8.123 5.651 1.00 0.00 C ATOM 1059 NH1 ARG A 72 -19.617 -7.627 6.152 1.00 0.00 N ATOM 1060 NH2 ARG A 72 -18.118 -9.385 5.926 1.00 0.00 N ATOM 0 H ARG A 72 -14.862 -5.676 1.818 1.00 0.00 H new ATOM 0 HA ARG A 72 -15.358 -3.380 3.103 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -15.103 -6.180 4.265 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -15.757 -4.834 5.176 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -17.331 -4.500 3.074 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -16.883 -6.149 2.684 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -17.998 -5.331 5.408 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -19.010 -5.893 4.092 1.00 0.00 H new ATOM 0 HE ARG A 72 -16.837 -7.767 4.512 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -19.890 -6.667 5.943 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -20.211 -8.210 6.742 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -17.250 -9.762 5.545 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -18.712 -9.968 6.516 1.00 0.00 H new ATOM 1074 N ASP A 73 -12.591 -4.739 4.291 1.00 0.00 N ATOM 1075 CA ASP A 73 -11.384 -4.472 5.055 1.00 0.00 C ATOM 1076 C ASP A 73 -10.438 -3.608 4.220 1.00 0.00 C ATOM 1077 O ASP A 73 -9.927 -2.597 4.701 1.00 0.00 O ATOM 1078 CB ASP A 73 -10.655 -5.771 5.404 1.00 0.00 C ATOM 1079 CG ASP A 73 -11.144 -6.466 6.676 1.00 0.00 C ATOM 1080 OD1 ASP A 73 -11.053 -5.823 7.744 1.00 0.00 O ATOM 1081 OD2 ASP A 73 -11.598 -7.624 6.552 1.00 0.00 O ATOM 0 H ASP A 73 -12.625 -5.661 3.856 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.672 -3.962 5.974 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -10.757 -6.463 4.568 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.592 -5.556 5.512 1.00 0.00 H new ATOM 1086 N ALA A 74 -10.232 -4.037 2.984 1.00 0.00 N ATOM 1087 CA ALA A 74 -9.355 -3.315 2.077 1.00 0.00 C ATOM 1088 C ALA A 74 -9.695 -1.824 2.126 1.00 0.00 C ATOM 1089 O ALA A 74 -8.814 -0.978 1.978 1.00 0.00 O ATOM 1090 CB ALA A 74 -9.486 -3.897 0.668 1.00 0.00 C ATOM 0 H ALA A 74 -10.657 -4.876 2.589 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.314 -3.426 2.380 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.828 -3.355 -0.012 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.206 -4.950 0.682 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.517 -3.800 0.329 1.00 0.00 H new ATOM 1096 N GLU A 75 -10.974 -1.548 2.333 1.00 0.00 N ATOM 1097 CA GLU A 75 -11.441 -0.173 2.403 1.00 0.00 C ATOM 1098 C GLU A 75 -11.142 0.420 3.781 1.00 0.00 C ATOM 1099 O GLU A 75 -10.341 1.345 3.902 1.00 0.00 O ATOM 1100 CB GLU A 75 -12.934 -0.085 2.081 1.00 0.00 C ATOM 1101 CG GLU A 75 -13.217 -0.566 0.656 1.00 0.00 C ATOM 1102 CD GLU A 75 -14.083 0.443 -0.101 1.00 0.00 C ATOM 1103 OE1 GLU A 75 -15.135 0.821 0.459 1.00 0.00 O ATOM 1104 OE2 GLU A 75 -13.674 0.813 -1.223 1.00 0.00 O ATOM 0 H GLU A 75 -11.702 -2.252 2.455 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.906 0.411 1.654 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -13.499 -0.689 2.791 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -13.274 0.944 2.196 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -12.277 -0.714 0.125 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -13.721 -1.532 0.688 1.00 0.00 H new ATOM 1111 N ASP A 76 -11.801 -0.138 4.786 1.00 0.00 N ATOM 1112 CA ASP A 76 -11.615 0.324 6.151 1.00 0.00 C ATOM 1113 C ASP A 76 -10.133 0.624 6.386 1.00 0.00 C ATOM 1114 O ASP A 76 -9.792 1.569 7.095 1.00 0.00 O ATOM 1115 CB ASP A 76 -12.047 -0.744 7.158 1.00 0.00 C ATOM 1116 CG ASP A 76 -13.551 -0.802 7.433 1.00 0.00 C ATOM 1117 OD1 ASP A 76 -14.091 0.243 7.857 1.00 0.00 O ATOM 1118 OD2 ASP A 76 -14.126 -1.890 7.214 1.00 0.00 O ATOM 0 H ASP A 76 -12.464 -0.906 4.682 1.00 0.00 H new ATOM 0 HA ASP A 76 -12.223 1.218 6.290 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.722 -1.718 6.794 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -11.527 -0.566 8.099 1.00 0.00 H new ATOM 1123 N ALA A 77 -9.292 -0.199 5.778 1.00 0.00 N ATOM 1124 CA ALA A 77 -7.855 -0.034 5.912 1.00 0.00 C ATOM 1125 C ALA A 77 -7.431 1.274 5.242 1.00 0.00 C ATOM 1126 O ALA A 77 -6.976 2.200 5.911 1.00 0.00 O ATOM 1127 CB ALA A 77 -7.143 -1.252 5.318 1.00 0.00 C ATOM 0 H ALA A 77 -9.578 -0.982 5.191 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.572 0.028 6.963 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.065 -1.128 5.419 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.456 -2.151 5.849 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.401 -1.345 4.263 1.00 0.00 H new ATOM 1133 N VAL A 78 -7.595 1.308 3.927 1.00 0.00 N ATOM 1134 CA VAL A 78 -7.235 2.487 3.159 1.00 0.00 C ATOM 1135 C VAL A 78 -7.909 3.716 3.773 1.00 0.00 C ATOM 1136 O VAL A 78 -7.380 4.824 3.693 1.00 0.00 O ATOM 1137 CB VAL A 78 -7.594 2.282 1.686 1.00 0.00 C ATOM 1138 CG1 VAL A 78 -9.021 2.754 1.398 1.00 0.00 C ATOM 1139 CG2 VAL A 78 -6.589 2.987 0.773 1.00 0.00 C ATOM 0 H VAL A 78 -7.972 0.538 3.375 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.158 2.653 3.197 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.546 1.214 1.476 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -9.250 2.597 0.344 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.722 2.187 2.010 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.108 3.815 1.634 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.868 2.825 -0.268 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.590 4.056 0.987 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.592 2.583 0.949 1.00 0.00 H new ATOM 1149 N TYR A 79 -9.067 3.479 4.371 1.00 0.00 N ATOM 1150 CA TYR A 79 -9.819 4.553 4.998 1.00 0.00 C ATOM 1151 C TYR A 79 -9.248 4.890 6.376 1.00 0.00 C ATOM 1152 O TYR A 79 -9.408 6.009 6.862 1.00 0.00 O ATOM 1153 CB TYR A 79 -11.246 4.026 5.166 1.00 0.00 C ATOM 1154 CG TYR A 79 -12.227 4.539 4.109 1.00 0.00 C ATOM 1155 CD1 TYR A 79 -12.222 3.994 2.841 1.00 0.00 C ATOM 1156 CD2 TYR A 79 -13.116 5.546 4.424 1.00 0.00 C ATOM 1157 CE1 TYR A 79 -13.145 4.477 1.847 1.00 0.00 C ATOM 1158 CE2 TYR A 79 -14.039 6.029 3.430 1.00 0.00 C ATOM 1159 CZ TYR A 79 -14.008 5.470 2.190 1.00 0.00 C ATOM 1160 OH TYR A 79 -14.880 5.926 1.251 1.00 0.00 O ATOM 0 H TYR A 79 -9.503 2.559 4.435 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.775 5.457 4.391 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -11.227 2.937 5.131 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -11.612 4.307 6.154 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -11.526 3.206 2.594 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -13.120 5.972 5.416 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -13.152 4.060 0.851 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -14.740 6.817 3.663 1.00 0.00 H new ATOM 0 HH TYR A 79 -15.436 6.635 1.637 1.00 0.00 H new ATOM 1170 N GLY A 80 -8.592 3.902 6.968 1.00 0.00 N ATOM 1171 CA GLY A 80 -7.995 4.081 8.281 1.00 0.00 C ATOM 1172 C GLY A 80 -6.531 4.507 8.164 1.00 0.00 C ATOM 1173 O GLY A 80 -6.201 5.673 8.376 1.00 0.00 O ATOM 0 H GLY A 80 -8.461 2.975 6.563 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.553 4.833 8.839 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.063 3.151 8.845 1.00 0.00 H new ATOM 1177 N ARG A 81 -5.691 3.538 7.828 1.00 0.00 N ATOM 1178 CA ARG A 81 -4.269 3.799 7.681 1.00 0.00 C ATOM 1179 C ARG A 81 -4.044 5.171 7.044 1.00 0.00 C ATOM 1180 O ARG A 81 -3.131 5.898 7.433 1.00 0.00 O ATOM 1181 CB ARG A 81 -3.599 2.727 6.818 1.00 0.00 C ATOM 1182 CG ARG A 81 -3.410 1.429 7.604 1.00 0.00 C ATOM 1183 CD ARG A 81 -2.307 1.578 8.653 1.00 0.00 C ATOM 1184 NE ARG A 81 -2.349 0.440 9.598 1.00 0.00 N ATOM 1185 CZ ARG A 81 -3.120 0.402 10.694 1.00 0.00 C ATOM 1186 NH1 ARG A 81 -3.918 1.437 10.988 1.00 0.00 N ATOM 1187 NH2 ARG A 81 -3.093 -0.673 11.494 1.00 0.00 N ATOM 0 H ARG A 81 -5.968 2.572 7.654 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.824 3.780 8.676 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.206 2.535 5.933 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.632 3.089 6.468 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.346 1.156 8.092 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -3.159 0.619 6.920 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -1.333 1.620 8.165 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.433 2.516 9.194 1.00 0.00 H new ATOM 0 HE ARG A 81 -1.754 -0.366 9.403 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -3.939 2.254 10.378 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -4.505 1.408 11.822 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -2.486 -1.461 11.269 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -3.679 -0.703 12.328 1.00 0.00 H new ATOM 1201 N ASP A 82 -4.892 5.485 6.075 1.00 0.00 N ATOM 1202 CA ASP A 82 -4.796 6.757 5.380 1.00 0.00 C ATOM 1203 C ASP A 82 -4.609 7.880 6.404 1.00 0.00 C ATOM 1204 O ASP A 82 -5.582 8.379 6.967 1.00 0.00 O ATOM 1205 CB ASP A 82 -6.072 7.049 4.587 1.00 0.00 C ATOM 1206 CG ASP A 82 -6.349 8.531 4.330 1.00 0.00 C ATOM 1207 OD1 ASP A 82 -5.363 9.259 4.085 1.00 0.00 O ATOM 1208 OD2 ASP A 82 -7.542 8.903 4.385 1.00 0.00 O ATOM 0 H ASP A 82 -5.649 4.880 5.755 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.950 6.704 4.695 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -6.011 6.535 3.628 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -6.920 6.624 5.123 1.00 0.00 H new ATOM 1213 N GLY A 83 -3.353 8.243 6.613 1.00 0.00 N ATOM 1214 CA GLY A 83 -3.026 9.297 7.558 1.00 0.00 C ATOM 1215 C GLY A 83 -2.490 8.713 8.866 1.00 0.00 C ATOM 1216 O GLY A 83 -2.717 9.271 9.939 1.00 0.00 O ATOM 0 H GLY A 83 -2.549 7.826 6.144 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -2.282 9.964 7.122 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.913 9.897 7.760 1.00 0.00 H new ATOM 1220 N TYR A 84 -1.787 7.597 8.735 1.00 0.00 N ATOM 1221 CA TYR A 84 -1.217 6.931 9.894 1.00 0.00 C ATOM 1222 C TYR A 84 0.246 7.335 10.093 1.00 0.00 C ATOM 1223 O TYR A 84 0.877 7.865 9.180 1.00 0.00 O ATOM 1224 CB TYR A 84 -1.284 5.432 9.594 1.00 0.00 C ATOM 1225 CG TYR A 84 -0.804 4.546 10.745 1.00 0.00 C ATOM 1226 CD1 TYR A 84 -1.220 4.805 12.035 1.00 0.00 C ATOM 1227 CD2 TYR A 84 0.044 3.487 10.493 1.00 0.00 C ATOM 1228 CE1 TYR A 84 -0.769 3.970 13.118 1.00 0.00 C ATOM 1229 CE2 TYR A 84 0.496 2.652 11.576 1.00 0.00 C ATOM 1230 CZ TYR A 84 0.067 2.935 12.835 1.00 0.00 C ATOM 1231 OH TYR A 84 0.493 2.147 13.859 1.00 0.00 O ATOM 0 H TYR A 84 -1.599 7.137 7.844 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.762 7.201 10.799 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -2.312 5.166 9.349 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.681 5.221 8.711 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.884 5.634 12.232 1.00 0.00 H new ATOM 0 HD2 TYR A 84 0.369 3.284 9.483 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -1.087 4.161 14.132 1.00 0.00 H new ATOM 0 HE2 TYR A 84 1.160 1.820 11.392 1.00 0.00 H new ATOM 0 HH TYR A 84 1.084 1.447 13.510 1.00 0.00 H new ATOM 1241 N ASP A 85 0.742 7.067 11.292 1.00 0.00 N ATOM 1242 CA ASP A 85 2.118 7.396 11.623 1.00 0.00 C ATOM 1243 C ASP A 85 2.811 6.156 12.192 1.00 0.00 C ATOM 1244 O ASP A 85 2.482 5.706 13.288 1.00 0.00 O ATOM 1245 CB ASP A 85 2.182 8.501 12.679 1.00 0.00 C ATOM 1246 CG ASP A 85 3.592 8.878 13.136 1.00 0.00 C ATOM 1247 OD1 ASP A 85 4.173 9.781 12.496 1.00 0.00 O ATOM 1248 OD2 ASP A 85 4.058 8.255 14.114 1.00 0.00 O ATOM 0 H ASP A 85 0.216 6.626 12.046 1.00 0.00 H new ATOM 0 HA ASP A 85 2.611 7.739 10.713 1.00 0.00 H new ATOM 0 HB2 ASP A 85 1.695 9.391 12.281 1.00 0.00 H new ATOM 0 HB3 ASP A 85 1.607 8.185 13.549 1.00 0.00 H new ATOM 1253 N TYR A 86 3.757 5.640 11.422 1.00 0.00 N ATOM 1254 CA TYR A 86 4.499 4.462 11.836 1.00 0.00 C ATOM 1255 C TYR A 86 5.994 4.769 11.955 1.00 0.00 C ATOM 1256 O TYR A 86 6.574 5.399 11.073 1.00 0.00 O ATOM 1257 CB TYR A 86 4.291 3.423 10.732 1.00 0.00 C ATOM 1258 CG TYR A 86 5.018 2.099 10.978 1.00 0.00 C ATOM 1259 CD1 TYR A 86 4.524 1.203 11.904 1.00 0.00 C ATOM 1260 CD2 TYR A 86 6.167 1.802 10.275 1.00 0.00 C ATOM 1261 CE1 TYR A 86 5.208 -0.043 12.135 1.00 0.00 C ATOM 1262 CE2 TYR A 86 6.851 0.556 10.506 1.00 0.00 C ATOM 1263 CZ TYR A 86 6.338 -0.305 11.425 1.00 0.00 C ATOM 1264 OH TYR A 86 6.984 -1.482 11.644 1.00 0.00 O ATOM 0 H TYR A 86 4.027 6.016 10.513 1.00 0.00 H new ATOM 0 HA TYR A 86 4.153 4.113 12.809 1.00 0.00 H new ATOM 0 HB2 TYR A 86 3.224 3.226 10.629 1.00 0.00 H new ATOM 0 HB3 TYR A 86 4.631 3.842 9.785 1.00 0.00 H new ATOM 0 HD1 TYR A 86 3.625 1.436 12.455 1.00 0.00 H new ATOM 0 HD2 TYR A 86 6.554 2.504 9.551 1.00 0.00 H new ATOM 0 HE1 TYR A 86 4.832 -0.754 12.856 1.00 0.00 H new ATOM 0 HE2 TYR A 86 7.751 0.311 9.962 1.00 0.00 H new ATOM 0 HH TYR A 86 7.774 -1.534 11.066 1.00 0.00 H new ATOM 1274 N ASP A 87 6.574 4.309 13.054 1.00 0.00 N ATOM 1275 CA ASP A 87 7.989 4.526 13.301 1.00 0.00 C ATOM 1276 C ASP A 87 8.262 6.029 13.385 1.00 0.00 C ATOM 1277 O ASP A 87 9.410 6.461 13.293 1.00 0.00 O ATOM 1278 CB ASP A 87 8.840 3.954 12.165 1.00 0.00 C ATOM 1279 CG ASP A 87 10.212 3.425 12.589 1.00 0.00 C ATOM 1280 OD1 ASP A 87 10.680 3.858 13.664 1.00 0.00 O ATOM 1281 OD2 ASP A 87 10.761 2.600 11.828 1.00 0.00 O ATOM 0 H ASP A 87 6.089 3.787 13.784 1.00 0.00 H new ATOM 0 HA ASP A 87 8.250 4.026 14.234 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.287 3.145 11.688 1.00 0.00 H new ATOM 0 HB3 ASP A 87 8.983 4.729 11.412 1.00 0.00 H new ATOM 1286 N GLY A 88 7.188 6.785 13.560 1.00 0.00 N ATOM 1287 CA GLY A 88 7.298 8.230 13.658 1.00 0.00 C ATOM 1288 C GLY A 88 7.094 8.890 12.292 1.00 0.00 C ATOM 1289 O GLY A 88 6.877 10.097 12.209 1.00 0.00 O ATOM 0 H GLY A 88 6.237 6.424 13.636 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.557 8.608 14.363 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.278 8.498 14.052 1.00 0.00 H new ATOM 1293 N TYR A 89 7.171 8.067 11.256 1.00 0.00 N ATOM 1294 CA TYR A 89 6.997 8.555 9.899 1.00 0.00 C ATOM 1295 C TYR A 89 5.534 8.455 9.463 1.00 0.00 C ATOM 1296 O TYR A 89 4.852 7.482 9.782 1.00 0.00 O ATOM 1297 CB TYR A 89 7.845 7.643 9.011 1.00 0.00 C ATOM 1298 CG TYR A 89 9.146 8.283 8.523 1.00 0.00 C ATOM 1299 CD1 TYR A 89 9.125 9.539 7.952 1.00 0.00 C ATOM 1300 CD2 TYR A 89 10.340 7.604 8.654 1.00 0.00 C ATOM 1301 CE1 TYR A 89 10.350 10.142 7.493 1.00 0.00 C ATOM 1302 CE2 TYR A 89 11.565 8.207 8.195 1.00 0.00 C ATOM 1303 CZ TYR A 89 11.509 9.446 7.637 1.00 0.00 C ATOM 1304 OH TYR A 89 12.666 10.015 7.204 1.00 0.00 O ATOM 0 H TYR A 89 7.352 7.066 11.330 1.00 0.00 H new ATOM 0 HA TYR A 89 7.293 9.602 9.827 1.00 0.00 H new ATOM 0 HB2 TYR A 89 8.084 6.735 9.564 1.00 0.00 H new ATOM 0 HB3 TYR A 89 7.253 7.343 8.146 1.00 0.00 H new ATOM 0 HD1 TYR A 89 8.190 10.070 7.849 1.00 0.00 H new ATOM 0 HD2 TYR A 89 10.356 6.621 9.101 1.00 0.00 H new ATOM 0 HE1 TYR A 89 10.348 11.125 7.045 1.00 0.00 H new ATOM 0 HE2 TYR A 89 12.507 7.687 8.292 1.00 0.00 H new ATOM 0 HH TYR A 89 13.414 9.404 7.372 1.00 0.00 H new ATOM 1314 N ARG A 90 5.093 9.474 8.741 1.00 0.00 N ATOM 1315 CA ARG A 90 3.723 9.513 8.258 1.00 0.00 C ATOM 1316 C ARG A 90 3.588 8.688 6.977 1.00 0.00 C ATOM 1317 O ARG A 90 4.466 8.724 6.115 1.00 0.00 O ATOM 1318 CB ARG A 90 3.278 10.950 7.980 1.00 0.00 C ATOM 1319 CG ARG A 90 4.293 11.678 7.096 1.00 0.00 C ATOM 1320 CD ARG A 90 5.098 12.694 7.908 1.00 0.00 C ATOM 1321 NE ARG A 90 6.186 13.257 7.079 1.00 0.00 N ATOM 1322 CZ ARG A 90 6.913 14.330 7.420 1.00 0.00 C ATOM 1323 NH1 ARG A 90 6.672 14.962 8.577 1.00 0.00 N ATOM 1324 NH2 ARG A 90 7.881 14.771 6.605 1.00 0.00 N ATOM 0 H ARG A 90 5.661 10.280 8.478 1.00 0.00 H new ATOM 0 HA ARG A 90 3.085 9.091 9.035 1.00 0.00 H new ATOM 0 HB2 ARG A 90 2.303 10.945 7.492 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.160 11.486 8.922 1.00 0.00 H new ATOM 0 HG2 ARG A 90 4.969 10.954 6.640 1.00 0.00 H new ATOM 0 HG3 ARG A 90 3.774 12.186 6.283 1.00 0.00 H new ATOM 0 HD2 ARG A 90 4.444 13.494 8.256 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.515 12.215 8.794 1.00 0.00 H new ATOM 0 HE ARG A 90 6.396 12.800 6.192 1.00 0.00 H new ATOM 0 HH11 ARG A 90 5.935 14.626 9.198 1.00 0.00 H new ATOM 0 HH12 ARG A 90 7.225 15.779 8.837 1.00 0.00 H new ATOM 0 HH21 ARG A 90 8.065 14.290 5.725 1.00 0.00 H new ATOM 0 HH22 ARG A 90 8.434 15.588 6.865 1.00 0.00 H new ATOM 1338 N LEU A 91 2.483 7.962 6.892 1.00 0.00 N ATOM 1339 CA LEU A 91 2.222 7.129 5.730 1.00 0.00 C ATOM 1340 C LEU A 91 1.050 7.716 4.940 1.00 0.00 C ATOM 1341 O LEU A 91 0.257 8.486 5.479 1.00 0.00 O ATOM 1342 CB LEU A 91 2.012 5.673 6.152 1.00 0.00 C ATOM 1343 CG LEU A 91 3.049 5.099 7.119 1.00 0.00 C ATOM 1344 CD1 LEU A 91 2.521 3.837 7.803 1.00 0.00 C ATOM 1345 CD2 LEU A 91 4.382 4.851 6.410 1.00 0.00 C ATOM 0 H LEU A 91 1.758 7.933 7.609 1.00 0.00 H new ATOM 0 HA LEU A 91 3.084 7.123 5.063 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.028 5.587 6.613 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.999 5.054 5.255 1.00 0.00 H new ATOM 0 HG LEU A 91 3.232 5.837 7.900 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.278 3.449 8.485 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.617 4.078 8.363 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.291 3.084 7.049 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.101 4.443 7.120 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.234 4.142 5.595 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.761 5.791 6.009 1.00 0.00 H new ATOM 1357 N ARG A 92 0.978 7.329 3.675 1.00 0.00 N ATOM 1358 CA ARG A 92 -0.083 7.806 2.805 1.00 0.00 C ATOM 1359 C ARG A 92 -0.758 6.630 2.097 1.00 0.00 C ATOM 1360 O ARG A 92 -0.246 6.125 1.099 1.00 0.00 O ATOM 1361 CB ARG A 92 0.460 8.780 1.758 1.00 0.00 C ATOM 1362 CG ARG A 92 0.429 10.219 2.279 1.00 0.00 C ATOM 1363 CD ARG A 92 -0.457 11.102 1.399 1.00 0.00 C ATOM 1364 NE ARG A 92 -1.361 11.914 2.244 1.00 0.00 N ATOM 1365 CZ ARG A 92 -0.947 12.887 3.067 1.00 0.00 C ATOM 1366 NH1 ARG A 92 0.358 13.177 3.160 1.00 0.00 N ATOM 1367 NH2 ARG A 92 -1.839 13.572 3.796 1.00 0.00 N ATOM 0 H ARG A 92 1.638 6.690 3.232 1.00 0.00 H new ATOM 0 HA ARG A 92 -0.812 8.327 3.426 1.00 0.00 H new ATOM 0 HB2 ARG A 92 1.482 8.506 1.497 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -0.133 8.707 0.846 1.00 0.00 H new ATOM 0 HG2 ARG A 92 0.057 10.231 3.303 1.00 0.00 H new ATOM 0 HG3 ARG A 92 1.441 10.623 2.303 1.00 0.00 H new ATOM 0 HD2 ARG A 92 0.163 11.754 0.784 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -1.041 10.482 0.719 1.00 0.00 H new ATOM 0 HE ARG A 92 -2.361 11.721 2.197 1.00 0.00 H new ATOM 0 HH11 ARG A 92 1.037 12.657 2.604 1.00 0.00 H new ATOM 0 HH12 ARG A 92 0.672 13.918 3.787 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -2.833 13.353 3.724 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -1.524 14.313 4.423 1.00 0.00 H new ATOM 1381 N VAL A 93 -1.898 6.228 2.641 1.00 0.00 N ATOM 1382 CA VAL A 93 -2.648 5.121 2.073 1.00 0.00 C ATOM 1383 C VAL A 93 -3.764 5.671 1.182 1.00 0.00 C ATOM 1384 O VAL A 93 -4.526 6.541 1.601 1.00 0.00 O ATOM 1385 CB VAL A 93 -3.168 4.214 3.190 1.00 0.00 C ATOM 1386 CG1 VAL A 93 -3.653 2.876 2.628 1.00 0.00 C ATOM 1387 CG2 VAL A 93 -2.101 4.002 4.265 1.00 0.00 C ATOM 0 H VAL A 93 -2.320 6.649 3.469 1.00 0.00 H new ATOM 0 HA VAL A 93 -2.004 4.505 1.445 1.00 0.00 H new ATOM 0 HB VAL A 93 -4.019 4.710 3.656 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.017 2.250 3.442 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -4.460 3.051 1.916 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.828 2.372 2.124 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.496 3.354 5.047 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.222 3.537 3.818 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.823 4.964 4.697 1.00 0.00 H new ATOM 1397 N GLU A 94 -3.824 5.141 -0.031 1.00 0.00 N ATOM 1398 CA GLU A 94 -4.834 5.568 -0.985 1.00 0.00 C ATOM 1399 C GLU A 94 -5.016 4.509 -2.074 1.00 0.00 C ATOM 1400 O GLU A 94 -4.109 3.720 -2.337 1.00 0.00 O ATOM 1401 CB GLU A 94 -4.474 6.924 -1.594 1.00 0.00 C ATOM 1402 CG GLU A 94 -3.219 6.821 -2.462 1.00 0.00 C ATOM 1403 CD GLU A 94 -2.807 8.193 -2.998 1.00 0.00 C ATOM 1404 OE1 GLU A 94 -3.020 9.178 -2.258 1.00 0.00 O ATOM 1405 OE2 GLU A 94 -2.291 8.227 -4.135 1.00 0.00 O ATOM 0 H GLU A 94 -3.190 4.420 -0.375 1.00 0.00 H new ATOM 0 HA GLU A 94 -5.780 5.684 -0.456 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -5.307 7.289 -2.195 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -4.312 7.652 -0.799 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.403 6.395 -1.878 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.403 6.142 -3.295 1.00 0.00 H new ATOM 1412 N PHE A 95 -6.194 4.525 -2.680 1.00 0.00 N ATOM 1413 CA PHE A 95 -6.507 3.576 -3.735 1.00 0.00 C ATOM 1414 C PHE A 95 -5.806 3.957 -5.040 1.00 0.00 C ATOM 1415 O PHE A 95 -5.559 5.135 -5.296 1.00 0.00 O ATOM 1416 CB PHE A 95 -8.021 3.628 -3.949 1.00 0.00 C ATOM 1417 CG PHE A 95 -8.813 2.715 -3.011 1.00 0.00 C ATOM 1418 CD1 PHE A 95 -8.445 1.415 -2.856 1.00 0.00 C ATOM 1419 CD2 PHE A 95 -9.887 3.203 -2.334 1.00 0.00 C ATOM 1420 CE1 PHE A 95 -9.180 0.568 -1.986 1.00 0.00 C ATOM 1421 CE2 PHE A 95 -10.622 2.355 -1.464 1.00 0.00 C ATOM 1422 CZ PHE A 95 -10.254 1.056 -1.308 1.00 0.00 C ATOM 0 H PHE A 95 -6.944 5.181 -2.460 1.00 0.00 H new ATOM 0 HA PHE A 95 -6.171 2.579 -3.451 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.362 4.654 -3.814 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.242 3.352 -4.980 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.593 1.027 -3.395 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -10.181 4.235 -2.458 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -8.887 -0.464 -1.862 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -11.474 2.743 -0.926 1.00 0.00 H new ATOM 0 HZ PHE A 95 -10.814 0.412 -0.646 1.00 0.00 H new ATOM 1432 N PRO A 96 -5.497 2.911 -5.853 1.00 0.00 N ATOM 1433 CA PRO A 96 -4.829 3.125 -7.126 1.00 0.00 C ATOM 1434 C PRO A 96 -5.798 3.691 -8.165 1.00 0.00 C ATOM 1435 O PRO A 96 -7.010 3.688 -7.956 1.00 0.00 O ATOM 1436 CB PRO A 96 -4.274 1.763 -7.512 1.00 0.00 C ATOM 1437 CG PRO A 96 -5.043 0.749 -6.681 1.00 0.00 C ATOM 1438 CD PRO A 96 -5.774 1.504 -5.583 1.00 0.00 C ATOM 0 HA PRO A 96 -4.030 3.863 -7.063 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.406 1.575 -8.578 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -3.205 1.705 -7.308 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -5.751 0.203 -7.305 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -4.363 0.014 -6.251 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.844 1.300 -5.607 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.416 1.212 -4.596 1.00 0.00 H new