USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=9 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 :FLIP amide:sc= -0.0187 F(o=-0.62,f=-0.019) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 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 175:sc= -1.18 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 150: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 -7.096 -4.065 -3.701 1.00 0.00 N ATOM 264 CA ARG A 24 -5.721 -3.600 -3.782 1.00 0.00 C ATOM 265 C ARG A 24 -5.617 -2.160 -3.278 1.00 0.00 C ATOM 266 O ARG A 24 -6.383 -1.294 -3.699 1.00 0.00 O ATOM 267 CB ARG A 24 -5.201 -3.669 -5.219 1.00 0.00 C ATOM 268 CG ARG A 24 -5.848 -2.589 -6.089 1.00 0.00 C ATOM 269 CD ARG A 24 -5.431 -2.742 -7.553 1.00 0.00 C ATOM 270 NE ARG A 24 -6.427 -3.560 -8.281 1.00 0.00 N ATOM 271 CZ ARG A 24 -6.377 -3.810 -9.596 1.00 0.00 C ATOM 272 NH1 ARG A 24 -5.379 -3.307 -10.336 1.00 0.00 N ATOM 273 NH2 ARG A 24 -7.324 -4.563 -10.172 1.00 0.00 N ATOM 0 HA ARG A 24 -5.113 -4.252 -3.155 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -4.118 -3.545 -5.224 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.411 -4.653 -5.639 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -6.933 -2.653 -6.008 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.559 -1.603 -5.726 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.344 -1.761 -8.019 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.449 -3.212 -7.613 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.200 -3.958 -7.748 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.658 -2.734 -9.898 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.341 -3.497 -11.337 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.083 -4.946 -9.609 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.285 -4.753 -11.173 1.00 0.00 H new ATOM 287 N ILE A 25 -4.664 -1.948 -2.383 1.00 0.00 N ATOM 288 CA ILE A 25 -4.450 -0.627 -1.816 1.00 0.00 C ATOM 289 C ILE A 25 -2.975 -0.248 -1.960 1.00 0.00 C ATOM 290 O ILE A 25 -2.092 -1.066 -1.704 1.00 0.00 O ATOM 291 CB ILE A 25 -4.961 -0.572 -0.375 1.00 0.00 C ATOM 292 CG1 ILE A 25 -4.282 -1.638 0.488 1.00 0.00 C ATOM 293 CG2 ILE A 25 -6.487 -0.685 -0.330 1.00 0.00 C ATOM 294 CD1 ILE A 25 -4.321 -1.251 1.968 1.00 0.00 C ATOM 0 H ILE A 25 -4.031 -2.669 -2.036 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.027 0.119 -2.362 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.697 0.399 0.045 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.780 -2.597 0.346 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.248 -1.765 0.169 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.825 -0.643 0.706 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.930 0.139 -0.889 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.795 -1.632 -0.774 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.832 -2.025 2.559 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.802 -0.303 2.110 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.357 -1.149 2.290 1.00 0.00 H new ATOM 306 N TYR A 26 -2.753 0.993 -2.368 1.00 0.00 N ATOM 307 CA TYR A 26 -1.399 1.490 -2.549 1.00 0.00 C ATOM 308 C TYR A 26 -0.950 2.309 -1.338 1.00 0.00 C ATOM 309 O TYR A 26 -1.665 3.203 -0.888 1.00 0.00 O ATOM 310 CB TYR A 26 -1.445 2.401 -3.777 1.00 0.00 C ATOM 311 CG TYR A 26 -0.201 3.275 -3.951 1.00 0.00 C ATOM 312 CD1 TYR A 26 -0.143 4.519 -3.355 1.00 0.00 C ATOM 313 CD2 TYR A 26 0.862 2.820 -4.703 1.00 0.00 C ATOM 314 CE1 TYR A 26 1.028 5.341 -3.518 1.00 0.00 C ATOM 315 CE2 TYR A 26 2.033 3.642 -4.867 1.00 0.00 C ATOM 316 CZ TYR A 26 2.058 4.862 -4.266 1.00 0.00 C ATOM 317 OH TYR A 26 3.164 5.639 -4.420 1.00 0.00 O ATOM 0 H TYR A 26 -3.487 1.669 -2.578 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.699 0.663 -2.668 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.572 1.786 -4.668 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.322 3.045 -3.706 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.976 4.875 -2.767 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.816 1.847 -5.169 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.087 6.316 -3.057 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.872 3.298 -5.454 1.00 0.00 H new ATOM 0 HH TYR A 26 3.819 5.169 -4.977 1.00 0.00 H new ATOM 327 N VAL A 27 0.233 1.975 -0.843 1.00 0.00 N ATOM 328 CA VAL A 27 0.786 2.669 0.307 1.00 0.00 C ATOM 329 C VAL A 27 1.962 3.538 -0.143 1.00 0.00 C ATOM 330 O VAL A 27 2.840 3.073 -0.868 1.00 0.00 O ATOM 331 CB VAL A 27 1.170 1.660 1.392 1.00 0.00 C ATOM 332 CG1 VAL A 27 1.579 2.372 2.683 1.00 0.00 C ATOM 333 CG2 VAL A 27 0.032 0.670 1.648 1.00 0.00 C ATOM 0 H VAL A 27 0.824 1.233 -1.218 1.00 0.00 H new ATOM 0 HA VAL A 27 0.041 3.332 0.747 1.00 0.00 H new ATOM 0 HB VAL A 27 2.031 1.095 1.034 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.847 1.632 3.437 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.436 3.017 2.487 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.746 2.975 3.046 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.331 -0.036 2.423 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.856 1.212 1.974 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.191 0.127 0.730 1.00 0.00 H new ATOM 343 N GLY A 28 1.940 4.785 0.304 1.00 0.00 N ATOM 344 CA GLY A 28 2.993 5.724 -0.044 1.00 0.00 C ATOM 345 C GLY A 28 3.548 6.413 1.204 1.00 0.00 C ATOM 346 O GLY A 28 3.024 6.233 2.302 1.00 0.00 O ATOM 0 H GLY A 28 1.209 5.167 0.904 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.796 5.200 -0.562 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.604 6.473 -0.734 1.00 0.00 H new ATOM 350 N ASN A 29 4.602 7.188 0.994 1.00 0.00 N ATOM 351 CA ASN A 29 5.234 7.905 2.088 1.00 0.00 C ATOM 352 C ASN A 29 5.750 6.899 3.120 1.00 0.00 C ATOM 353 O ASN A 29 5.542 7.075 4.320 1.00 0.00 O ATOM 354 CB ASN A 29 4.238 8.832 2.787 1.00 0.00 C ATOM 355 CG ASN A 29 4.173 10.192 2.091 1.00 0.00 C ATOM 356 OD1 ASN A 29 3.361 10.223 1.039 1.00 0.00 O flip ATOM 357 ND2 ASN A 29 4.818 11.151 2.483 1.00 0.00 N flip ATOM 0 H ASN A 29 5.034 7.335 0.082 1.00 0.00 H new ATOM 0 HA ASN A 29 6.050 8.499 1.676 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.249 8.373 2.790 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.530 8.966 3.829 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.424 11.059 3.299 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.751 12.044 1.995 1.00 0.00 H new ATOM 364 N LEU A 30 6.411 5.868 2.616 1.00 0.00 N ATOM 365 CA LEU A 30 6.957 4.835 3.479 1.00 0.00 C ATOM 366 C LEU A 30 8.420 5.158 3.790 1.00 0.00 C ATOM 367 O LEU A 30 9.060 5.918 3.065 1.00 0.00 O ATOM 368 CB LEU A 30 6.752 3.452 2.856 1.00 0.00 C ATOM 369 CG LEU A 30 5.332 2.887 2.933 1.00 0.00 C ATOM 370 CD1 LEU A 30 5.079 1.885 1.805 1.00 0.00 C ATOM 371 CD2 LEU A 30 5.058 2.280 4.311 1.00 0.00 C ATOM 0 H LEU A 30 6.581 5.726 1.620 1.00 0.00 H new ATOM 0 HA LEU A 30 6.425 4.813 4.430 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.047 3.500 1.808 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.428 2.751 3.345 1.00 0.00 H new ATOM 0 HG LEU A 30 4.629 3.709 2.797 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.063 1.499 1.883 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.206 2.381 0.843 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.788 1.061 1.885 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.042 1.886 4.339 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.766 1.473 4.500 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.170 3.048 5.076 1.00 0.00 H new ATOM 383 N PRO A 31 8.920 4.548 4.898 1.00 0.00 N ATOM 384 CA PRO A 31 10.296 4.762 5.314 1.00 0.00 C ATOM 385 C PRO A 31 11.267 3.997 4.413 1.00 0.00 C ATOM 386 O PRO A 31 10.857 3.115 3.660 1.00 0.00 O ATOM 387 CB PRO A 31 10.344 4.305 6.763 1.00 0.00 C ATOM 388 CG PRO A 31 9.122 3.423 6.963 1.00 0.00 C ATOM 389 CD PRO A 31 8.192 3.641 5.781 1.00 0.00 C ATOM 0 HA PRO A 31 10.604 5.804 5.228 1.00 0.00 H new ATOM 0 HB2 PRO A 31 11.261 3.753 6.968 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.326 5.157 7.442 1.00 0.00 H new ATOM 0 HG2 PRO A 31 9.414 2.375 7.031 1.00 0.00 H new ATOM 0 HG3 PRO A 31 8.618 3.674 7.896 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.962 2.701 5.280 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.243 4.074 6.098 1.00 0.00 H new ATOM 397 N PRO A 32 12.569 4.373 4.522 1.00 0.00 N ATOM 398 CA PRO A 32 13.602 3.732 3.726 1.00 0.00 C ATOM 399 C PRO A 32 13.923 2.336 4.265 1.00 0.00 C ATOM 400 O PRO A 32 14.374 1.468 3.520 1.00 0.00 O ATOM 401 CB PRO A 32 14.790 4.679 3.786 1.00 0.00 C ATOM 402 CG PRO A 32 14.543 5.581 4.985 1.00 0.00 C ATOM 403 CD PRO A 32 13.091 5.413 5.404 1.00 0.00 C ATOM 0 HA PRO A 32 13.294 3.565 2.694 1.00 0.00 H new ATOM 0 HB2 PRO A 32 15.724 4.128 3.898 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.872 5.262 2.869 1.00 0.00 H new ATOM 0 HG2 PRO A 32 15.210 5.316 5.805 1.00 0.00 H new ATOM 0 HG3 PRO A 32 14.749 6.620 4.729 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.012 5.121 6.451 1.00 0.00 H new ATOM 0 HD3 PRO A 32 12.536 6.344 5.290 1.00 0.00 H new ATOM 411 N ASP A 33 13.679 2.164 5.556 1.00 0.00 N ATOM 412 CA ASP A 33 13.936 0.889 6.203 1.00 0.00 C ATOM 413 C ASP A 33 12.607 0.177 6.464 1.00 0.00 C ATOM 414 O ASP A 33 12.370 -0.320 7.564 1.00 0.00 O ATOM 415 CB ASP A 33 14.639 1.086 7.548 1.00 0.00 C ATOM 416 CG ASP A 33 15.592 -0.041 7.950 1.00 0.00 C ATOM 417 OD1 ASP A 33 16.382 -0.456 7.074 1.00 0.00 O ATOM 418 OD2 ASP A 33 15.509 -0.463 9.124 1.00 0.00 O ATOM 0 H ASP A 33 13.306 2.887 6.171 1.00 0.00 H new ATOM 0 HA ASP A 33 14.574 0.300 5.545 1.00 0.00 H new ATOM 0 HB2 ASP A 33 15.199 2.021 7.515 1.00 0.00 H new ATOM 0 HB3 ASP A 33 13.882 1.195 8.324 1.00 0.00 H new ATOM 423 N ILE A 34 11.774 0.151 5.434 1.00 0.00 N ATOM 424 CA ILE A 34 10.475 -0.492 5.538 1.00 0.00 C ATOM 425 C ILE A 34 10.549 -1.887 4.913 1.00 0.00 C ATOM 426 O ILE A 34 11.413 -2.152 4.079 1.00 0.00 O ATOM 427 CB ILE A 34 9.388 0.397 4.930 1.00 0.00 C ATOM 428 CG1 ILE A 34 7.999 -0.034 5.406 1.00 0.00 C ATOM 429 CG2 ILE A 34 9.488 0.420 3.403 1.00 0.00 C ATOM 430 CD1 ILE A 34 7.801 0.294 6.888 1.00 0.00 C ATOM 0 H ILE A 34 11.973 0.565 4.523 1.00 0.00 H new ATOM 0 HA ILE A 34 10.199 -0.625 6.584 1.00 0.00 H new ATOM 0 HB ILE A 34 9.547 1.418 5.278 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.235 0.469 4.813 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.872 -1.105 5.247 1.00 0.00 H new ATOM 0 HG21 ILE A 34 8.704 1.059 2.997 1.00 0.00 H new ATOM 0 HG22 ILE A 34 10.463 0.809 3.108 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.369 -0.592 3.015 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.806 -0.022 7.201 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.551 -0.230 7.480 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.904 1.368 7.040 1.00 0.00 H new ATOM 442 N ARG A 35 9.632 -2.741 5.342 1.00 0.00 N ATOM 443 CA ARG A 35 9.583 -4.102 4.835 1.00 0.00 C ATOM 444 C ARG A 35 8.161 -4.454 4.395 1.00 0.00 C ATOM 445 O ARG A 35 7.255 -3.627 4.491 1.00 0.00 O ATOM 446 CB ARG A 35 10.042 -5.103 5.898 1.00 0.00 C ATOM 447 CG ARG A 35 11.545 -4.975 6.159 1.00 0.00 C ATOM 448 CD ARG A 35 12.305 -6.173 5.587 1.00 0.00 C ATOM 449 NE ARG A 35 13.741 -6.070 5.927 1.00 0.00 N ATOM 450 CZ ARG A 35 14.664 -6.973 5.568 1.00 0.00 C ATOM 451 NH1 ARG A 35 14.307 -8.051 4.857 1.00 0.00 N ATOM 452 NH2 ARG A 35 15.945 -6.798 5.921 1.00 0.00 N ATOM 0 H ARG A 35 8.917 -2.517 6.035 1.00 0.00 H new ATOM 0 HA ARG A 35 10.257 -4.161 3.980 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.493 -4.933 6.824 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.811 -6.117 5.572 1.00 0.00 H new ATOM 0 HG2 ARG A 35 11.919 -4.055 5.710 1.00 0.00 H new ATOM 0 HG3 ARG A 35 11.727 -4.903 7.231 1.00 0.00 H new ATOM 0 HD2 ARG A 35 11.894 -7.100 5.987 1.00 0.00 H new ATOM 0 HD3 ARG A 35 12.181 -6.210 4.505 1.00 0.00 H new ATOM 0 HE ARG A 35 14.048 -5.262 6.468 1.00 0.00 H new ATOM 0 HH11 ARG A 35 13.332 -8.185 4.589 1.00 0.00 H new ATOM 0 HH12 ARG A 35 15.010 -8.738 4.584 1.00 0.00 H new ATOM 0 HH21 ARG A 35 16.217 -5.978 6.463 1.00 0.00 H new ATOM 0 HH22 ARG A 35 16.648 -7.485 5.648 1.00 0.00 H new ATOM 466 N THR A 36 8.009 -5.682 3.921 1.00 0.00 N ATOM 467 CA THR A 36 6.712 -6.153 3.466 1.00 0.00 C ATOM 468 C THR A 36 5.924 -6.756 4.630 1.00 0.00 C ATOM 469 O THR A 36 4.703 -6.623 4.694 1.00 0.00 O ATOM 470 CB THR A 36 6.943 -7.135 2.315 1.00 0.00 C ATOM 471 OG1 THR A 36 8.016 -6.558 1.577 1.00 0.00 O ATOM 472 CG2 THR A 36 5.778 -7.158 1.323 1.00 0.00 C ATOM 0 H THR A 36 8.763 -6.365 3.842 1.00 0.00 H new ATOM 0 HA THR A 36 6.101 -5.330 3.094 1.00 0.00 H new ATOM 0 HB THR A 36 7.097 -8.136 2.717 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.233 -7.131 0.812 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.992 -7.870 0.526 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.866 -7.455 1.840 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.645 -6.164 0.895 1.00 0.00 H new ATOM 480 N LYS A 37 6.656 -7.407 5.523 1.00 0.00 N ATOM 481 CA LYS A 37 6.041 -8.032 6.682 1.00 0.00 C ATOM 482 C LYS A 37 5.474 -6.947 7.600 1.00 0.00 C ATOM 483 O LYS A 37 4.322 -7.027 8.025 1.00 0.00 O ATOM 484 CB LYS A 37 7.033 -8.967 7.376 1.00 0.00 C ATOM 485 CG LYS A 37 6.326 -10.212 7.917 1.00 0.00 C ATOM 486 CD LYS A 37 6.769 -11.466 7.162 1.00 0.00 C ATOM 487 CE LYS A 37 7.989 -12.106 7.828 1.00 0.00 C ATOM 488 NZ LYS A 37 8.803 -12.833 6.829 1.00 0.00 N ATOM 0 H LYS A 37 7.669 -7.515 5.467 1.00 0.00 H new ATOM 0 HA LYS A 37 5.205 -8.661 6.377 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.812 -9.263 6.673 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.525 -8.440 8.193 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.545 -10.326 8.979 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.247 -10.090 7.825 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.949 -12.184 7.130 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.007 -11.208 6.130 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.594 -11.337 8.308 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.665 -12.792 8.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.627 -13.261 7.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.228 -13.580 6.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.127 -12.170 6.097 1.00 0.00 H new ATOM 502 N ASP A 38 6.309 -5.957 7.879 1.00 0.00 N ATOM 503 CA ASP A 38 5.906 -4.857 8.739 1.00 0.00 C ATOM 504 C ASP A 38 4.654 -4.194 8.158 1.00 0.00 C ATOM 505 O ASP A 38 3.724 -3.868 8.893 1.00 0.00 O ATOM 506 CB ASP A 38 7.004 -3.796 8.828 1.00 0.00 C ATOM 507 CG ASP A 38 8.127 -4.109 9.819 1.00 0.00 C ATOM 508 OD1 ASP A 38 7.803 -4.690 10.878 1.00 0.00 O ATOM 509 OD2 ASP A 38 9.283 -3.760 9.496 1.00 0.00 O ATOM 0 H ASP A 38 7.263 -5.893 7.525 1.00 0.00 H new ATOM 0 HA ASP A 38 5.713 -5.260 9.733 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.440 -3.662 7.838 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.548 -2.846 9.107 1.00 0.00 H new ATOM 514 N ILE A 39 4.673 -4.016 6.846 1.00 0.00 N ATOM 515 CA ILE A 39 3.552 -3.398 6.158 1.00 0.00 C ATOM 516 C ILE A 39 2.370 -4.370 6.143 1.00 0.00 C ATOM 517 O ILE A 39 1.228 -3.961 5.942 1.00 0.00 O ATOM 518 CB ILE A 39 3.973 -2.921 4.767 1.00 0.00 C ATOM 519 CG1 ILE A 39 5.134 -1.929 4.856 1.00 0.00 C ATOM 520 CG2 ILE A 39 2.781 -2.341 4.003 1.00 0.00 C ATOM 521 CD1 ILE A 39 5.785 -1.722 3.487 1.00 0.00 C ATOM 0 H ILE A 39 5.447 -4.289 6.240 1.00 0.00 H new ATOM 0 HA ILE A 39 3.225 -2.505 6.690 1.00 0.00 H new ATOM 0 HB ILE A 39 4.329 -3.783 4.203 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.773 -0.975 5.239 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.877 -2.296 5.564 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.107 -2.009 3.017 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.013 -3.106 3.892 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.373 -1.494 4.554 1.00 0.00 H new ATOM 0 HD11 ILE A 39 6.607 -1.012 3.579 1.00 0.00 H new ATOM 0 HD12 ILE A 39 6.167 -2.674 3.118 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.045 -1.332 2.788 1.00 0.00 H new ATOM 533 N GLU A 40 2.686 -5.639 6.358 1.00 0.00 N ATOM 534 CA GLU A 40 1.665 -6.673 6.372 1.00 0.00 C ATOM 535 C GLU A 40 0.927 -6.672 7.712 1.00 0.00 C ATOM 536 O GLU A 40 -0.270 -6.394 7.766 1.00 0.00 O ATOM 537 CB GLU A 40 2.272 -8.047 6.081 1.00 0.00 C ATOM 538 CG GLU A 40 1.525 -9.147 6.837 1.00 0.00 C ATOM 539 CD GLU A 40 1.808 -10.521 6.227 1.00 0.00 C ATOM 540 OE1 GLU A 40 2.993 -10.918 6.246 1.00 0.00 O ATOM 541 OE2 GLU A 40 0.833 -11.144 5.754 1.00 0.00 O ATOM 0 H GLU A 40 3.635 -5.974 6.524 1.00 0.00 H new ATOM 0 HA GLU A 40 0.945 -6.456 5.583 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.234 -8.246 5.010 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.323 -8.052 6.369 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.825 -9.141 7.885 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.454 -8.948 6.812 1.00 0.00 H new ATOM 548 N ASP A 41 1.672 -6.987 8.762 1.00 0.00 N ATOM 549 CA ASP A 41 1.103 -7.026 10.098 1.00 0.00 C ATOM 550 C ASP A 41 0.367 -5.713 10.374 1.00 0.00 C ATOM 551 O ASP A 41 -0.631 -5.696 11.093 1.00 0.00 O ATOM 552 CB ASP A 41 2.196 -7.186 11.157 1.00 0.00 C ATOM 553 CG ASP A 41 1.706 -7.130 12.606 1.00 0.00 C ATOM 554 OD1 ASP A 41 1.158 -8.158 13.059 1.00 0.00 O ATOM 555 OD2 ASP A 41 1.890 -6.061 13.226 1.00 0.00 O ATOM 0 H ASP A 41 2.664 -7.217 8.714 1.00 0.00 H new ATOM 0 HA ASP A 41 0.422 -7.876 10.150 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.700 -8.139 10.996 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.940 -6.403 11.010 1.00 0.00 H new ATOM 560 N VAL A 42 0.888 -4.646 9.787 1.00 0.00 N ATOM 561 CA VAL A 42 0.293 -3.331 9.959 1.00 0.00 C ATOM 562 C VAL A 42 -1.203 -3.409 9.649 1.00 0.00 C ATOM 563 O VAL A 42 -2.036 -3.156 10.518 1.00 0.00 O ATOM 564 CB VAL A 42 1.030 -2.305 9.097 1.00 0.00 C ATOM 565 CG1 VAL A 42 0.114 -1.135 8.734 1.00 0.00 C ATOM 566 CG2 VAL A 42 2.299 -1.813 9.795 1.00 0.00 C ATOM 0 H VAL A 42 1.716 -4.665 9.191 1.00 0.00 H new ATOM 0 HA VAL A 42 0.394 -2.998 10.992 1.00 0.00 H new ATOM 0 HB VAL A 42 1.327 -2.797 8.171 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.663 -0.420 8.121 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.746 -1.506 8.177 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.228 -0.644 9.645 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.804 -1.085 9.161 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.035 -1.346 10.744 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.964 -2.657 9.978 1.00 0.00 H new ATOM 576 N PHE A 43 -1.500 -3.760 8.406 1.00 0.00 N ATOM 577 CA PHE A 43 -2.881 -3.874 7.969 1.00 0.00 C ATOM 578 C PHE A 43 -3.544 -5.116 8.567 1.00 0.00 C ATOM 579 O PHE A 43 -4.714 -5.079 8.945 1.00 0.00 O ATOM 580 CB PHE A 43 -2.859 -4.006 6.445 1.00 0.00 C ATOM 581 CG PHE A 43 -2.696 -2.675 5.708 1.00 0.00 C ATOM 582 CD1 PHE A 43 -1.454 -2.168 5.485 1.00 0.00 C ATOM 583 CD2 PHE A 43 -3.794 -1.999 5.274 1.00 0.00 C ATOM 584 CE1 PHE A 43 -1.303 -0.933 4.801 1.00 0.00 C ATOM 585 CE2 PHE A 43 -3.643 -0.764 4.590 1.00 0.00 C ATOM 586 CZ PHE A 43 -2.401 -0.258 4.367 1.00 0.00 C ATOM 0 H PHE A 43 -0.807 -3.969 7.687 1.00 0.00 H new ATOM 0 HA PHE A 43 -3.447 -3.001 8.293 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.043 -4.670 6.160 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.785 -4.480 6.118 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.582 -2.705 5.828 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.781 -2.402 5.450 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.317 -0.530 4.625 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.515 -0.227 4.247 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.286 0.680 3.845 1.00 0.00 H new ATOM 596 N TYR A 44 -2.768 -6.188 8.635 1.00 0.00 N ATOM 597 CA TYR A 44 -3.265 -7.439 9.181 1.00 0.00 C ATOM 598 C TYR A 44 -4.058 -7.199 10.467 1.00 0.00 C ATOM 599 O TYR A 44 -4.924 -7.997 10.824 1.00 0.00 O ATOM 600 CB TYR A 44 -2.028 -8.278 9.508 1.00 0.00 C ATOM 601 CG TYR A 44 -2.294 -9.783 9.563 1.00 0.00 C ATOM 602 CD1 TYR A 44 -2.850 -10.345 10.695 1.00 0.00 C ATOM 603 CD2 TYR A 44 -1.978 -10.581 8.482 1.00 0.00 C ATOM 604 CE1 TYR A 44 -3.101 -11.762 10.747 1.00 0.00 C ATOM 605 CE2 TYR A 44 -2.228 -11.998 8.534 1.00 0.00 C ATOM 606 CZ TYR A 44 -2.777 -12.518 9.664 1.00 0.00 C ATOM 607 OH TYR A 44 -3.014 -13.857 9.714 1.00 0.00 O ATOM 0 H TYR A 44 -1.798 -6.216 8.321 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.928 -7.932 8.470 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.261 -8.082 8.759 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.626 -7.955 10.468 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -3.097 -9.722 11.542 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -1.543 -10.142 7.596 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.537 -12.214 11.626 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -1.985 -12.633 7.695 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.735 -14.270 8.871 1.00 0.00 H new ATOM 617 N LYS A 45 -3.734 -6.097 11.128 1.00 0.00 N ATOM 618 CA LYS A 45 -4.405 -5.743 12.367 1.00 0.00 C ATOM 619 C LYS A 45 -5.915 -5.681 12.124 1.00 0.00 C ATOM 620 O LYS A 45 -6.702 -5.749 13.067 1.00 0.00 O ATOM 621 CB LYS A 45 -3.822 -4.451 12.942 1.00 0.00 C ATOM 622 CG LYS A 45 -4.339 -3.229 12.180 1.00 0.00 C ATOM 623 CD LYS A 45 -3.588 -1.963 12.599 1.00 0.00 C ATOM 624 CE LYS A 45 -4.208 -1.348 13.856 1.00 0.00 C ATOM 625 NZ LYS A 45 -3.168 -1.103 14.880 1.00 0.00 N ATOM 0 H LYS A 45 -3.016 -5.438 10.829 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.234 -6.508 13.125 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.087 -4.366 13.996 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.734 -4.484 12.889 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.221 -3.388 11.108 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.405 -3.103 12.368 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.541 -2.202 12.785 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.610 -1.237 11.786 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.705 -0.412 13.603 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.971 -2.016 14.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.605 -0.686 15.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.712 -2.003 15.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.455 -0.448 14.501 1.00 0.00 H new ATOM 639 N TYR A 46 -6.273 -5.553 10.855 1.00 0.00 N ATOM 640 CA TYR A 46 -7.674 -5.481 10.477 1.00 0.00 C ATOM 641 C TYR A 46 -8.206 -6.859 10.079 1.00 0.00 C ATOM 642 O TYR A 46 -9.209 -7.322 10.621 1.00 0.00 O ATOM 643 CB TYR A 46 -7.736 -4.553 9.261 1.00 0.00 C ATOM 644 CG TYR A 46 -7.802 -3.066 9.616 1.00 0.00 C ATOM 645 CD1 TYR A 46 -9.001 -2.501 10.000 1.00 0.00 C ATOM 646 CD2 TYR A 46 -6.663 -2.290 9.552 1.00 0.00 C ATOM 647 CE1 TYR A 46 -9.064 -1.102 10.333 1.00 0.00 C ATOM 648 CE2 TYR A 46 -6.725 -0.891 9.885 1.00 0.00 C ATOM 649 CZ TYR A 46 -7.922 -0.366 10.259 1.00 0.00 C ATOM 650 OH TYR A 46 -7.981 0.956 10.575 1.00 0.00 O ATOM 0 H TYR A 46 -5.617 -5.497 10.076 1.00 0.00 H new ATOM 0 HA TYR A 46 -8.278 -5.120 11.310 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -6.859 -4.729 8.638 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -8.610 -4.812 8.663 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.892 -3.109 10.051 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.725 -2.732 9.252 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -9.996 -0.647 10.635 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.841 -0.273 9.839 1.00 0.00 H new ATOM 0 HH TYR A 46 -7.078 1.337 10.556 1.00 0.00 H new ATOM 660 N GLY A 47 -7.511 -7.477 9.135 1.00 0.00 N ATOM 661 CA GLY A 47 -7.900 -8.793 8.659 1.00 0.00 C ATOM 662 C GLY A 47 -6.688 -9.569 8.140 1.00 0.00 C ATOM 663 O GLY A 47 -5.667 -9.660 8.820 1.00 0.00 O ATOM 0 H GLY A 47 -6.680 -7.090 8.687 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.374 -9.350 9.467 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.639 -8.692 7.864 1.00 0.00 H new ATOM 667 N ALA A 48 -6.841 -10.110 6.940 1.00 0.00 N ATOM 668 CA ALA A 48 -5.772 -10.876 6.323 1.00 0.00 C ATOM 669 C ALA A 48 -5.387 -10.225 4.993 1.00 0.00 C ATOM 670 O ALA A 48 -6.175 -9.482 4.410 1.00 0.00 O ATOM 671 CB ALA A 48 -6.217 -12.330 6.154 1.00 0.00 C ATOM 0 H ALA A 48 -7.689 -10.033 6.379 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.886 -10.879 6.958 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.415 -12.905 5.691 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.451 -12.755 7.130 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.103 -12.368 5.520 1.00 0.00 H new ATOM 677 N ILE A 49 -4.175 -10.528 4.551 1.00 0.00 N ATOM 678 CA ILE A 49 -3.676 -9.982 3.300 1.00 0.00 C ATOM 679 C ILE A 49 -3.593 -11.099 2.258 1.00 0.00 C ATOM 680 O ILE A 49 -3.375 -12.260 2.603 1.00 0.00 O ATOM 681 CB ILE A 49 -2.351 -9.251 3.526 1.00 0.00 C ATOM 682 CG1 ILE A 49 -2.550 -8.011 4.398 1.00 0.00 C ATOM 683 CG2 ILE A 49 -1.678 -8.913 2.194 1.00 0.00 C ATOM 684 CD1 ILE A 49 -1.248 -7.618 5.099 1.00 0.00 C ATOM 0 H ILE A 49 -3.524 -11.145 5.037 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.364 -9.233 2.909 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.680 -9.919 4.066 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.900 -7.182 3.783 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.323 -8.205 5.141 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.738 -8.394 2.383 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.480 -9.832 1.643 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.335 -8.272 1.607 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.418 -6.733 5.713 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.913 -8.440 5.732 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.484 -7.401 4.352 1.00 0.00 H new ATOM 696 N ARG A 50 -3.771 -10.710 1.004 1.00 0.00 N ATOM 697 CA ARG A 50 -3.719 -11.664 -0.090 1.00 0.00 C ATOM 698 C ARG A 50 -2.319 -11.688 -0.707 1.00 0.00 C ATOM 699 O ARG A 50 -1.840 -12.741 -1.127 1.00 0.00 O ATOM 700 CB ARG A 50 -4.740 -11.315 -1.174 1.00 0.00 C ATOM 701 CG ARG A 50 -4.545 -12.190 -2.414 1.00 0.00 C ATOM 702 CD ARG A 50 -5.890 -12.675 -2.960 1.00 0.00 C ATOM 703 NE ARG A 50 -5.917 -14.154 -2.995 1.00 0.00 N ATOM 704 CZ ARG A 50 -7.017 -14.879 -3.243 1.00 0.00 C ATOM 705 NH1 ARG A 50 -8.185 -14.266 -3.479 1.00 0.00 N ATOM 706 NH2 ARG A 50 -6.948 -16.218 -3.255 1.00 0.00 N ATOM 0 H ARG A 50 -3.951 -9.747 0.722 1.00 0.00 H new ATOM 0 HA ARG A 50 -3.958 -12.647 0.316 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.749 -11.450 -0.785 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.641 -10.264 -1.447 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -4.019 -11.625 -3.183 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.920 -13.047 -2.164 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -6.701 -12.303 -2.335 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -6.051 -12.276 -3.962 1.00 0.00 H new ATOM 0 HE ARG A 50 -5.045 -14.653 -2.820 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -8.237 -13.247 -3.470 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -9.022 -14.818 -3.668 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -6.059 -16.684 -3.075 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -7.785 -16.770 -3.444 1.00 0.00 H new ATOM 720 N ASP A 51 -1.702 -10.516 -0.741 1.00 0.00 N ATOM 721 CA ASP A 51 -0.366 -10.390 -1.299 1.00 0.00 C ATOM 722 C ASP A 51 0.096 -8.936 -1.182 1.00 0.00 C ATOM 723 O ASP A 51 -0.726 -8.022 -1.136 1.00 0.00 O ATOM 724 CB ASP A 51 -0.350 -10.773 -2.781 1.00 0.00 C ATOM 725 CG ASP A 51 1.042 -11.004 -3.374 1.00 0.00 C ATOM 726 OD1 ASP A 51 1.791 -11.801 -2.770 1.00 0.00 O ATOM 727 OD2 ASP A 51 1.324 -10.377 -4.418 1.00 0.00 O ATOM 0 H ASP A 51 -2.102 -9.645 -0.391 1.00 0.00 H new ATOM 0 HA ASP A 51 0.295 -11.058 -0.746 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.940 -11.680 -2.913 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.845 -9.986 -3.350 1.00 0.00 H new ATOM 732 N ILE A 52 1.409 -8.768 -1.136 1.00 0.00 N ATOM 733 CA ILE A 52 1.990 -7.441 -1.025 1.00 0.00 C ATOM 734 C ILE A 52 3.124 -7.299 -2.041 1.00 0.00 C ATOM 735 O ILE A 52 4.102 -8.044 -1.995 1.00 0.00 O ATOM 736 CB ILE A 52 2.419 -7.163 0.418 1.00 0.00 C ATOM 737 CG1 ILE A 52 1.232 -7.284 1.375 1.00 0.00 C ATOM 738 CG2 ILE A 52 3.112 -5.804 0.532 1.00 0.00 C ATOM 739 CD1 ILE A 52 1.707 -7.414 2.824 1.00 0.00 C ATOM 0 H ILE A 52 2.087 -9.529 -1.174 1.00 0.00 H new ATOM 0 HA ILE A 52 1.248 -6.679 -1.266 1.00 0.00 H new ATOM 0 HB ILE A 52 3.147 -7.920 0.710 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.590 -6.409 1.276 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.631 -8.153 1.106 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.406 -5.631 1.567 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.997 -5.793 -0.104 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.427 -5.018 0.214 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.843 -7.498 3.484 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.329 -8.303 2.925 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.287 -6.533 3.097 1.00 0.00 H new ATOM 751 N ASP A 53 2.957 -6.336 -2.936 1.00 0.00 N ATOM 752 CA ASP A 53 3.954 -6.086 -3.963 1.00 0.00 C ATOM 753 C ASP A 53 4.693 -4.785 -3.643 1.00 0.00 C ATOM 754 O ASP A 53 4.119 -3.701 -3.739 1.00 0.00 O ATOM 755 CB ASP A 53 3.302 -5.934 -5.338 1.00 0.00 C ATOM 756 CG ASP A 53 3.766 -6.946 -6.388 1.00 0.00 C ATOM 757 OD1 ASP A 53 4.949 -6.855 -6.782 1.00 0.00 O ATOM 758 OD2 ASP A 53 2.926 -7.788 -6.774 1.00 0.00 O ATOM 0 H ASP A 53 2.145 -5.719 -2.971 1.00 0.00 H new ATOM 0 HA ASP A 53 4.640 -6.933 -3.981 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.222 -6.022 -5.223 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.503 -4.929 -5.710 1.00 0.00 H new ATOM 763 N LEU A 54 5.956 -4.935 -3.271 1.00 0.00 N ATOM 764 CA LEU A 54 6.779 -3.786 -2.937 1.00 0.00 C ATOM 765 C LEU A 54 7.834 -3.586 -4.027 1.00 0.00 C ATOM 766 O LEU A 54 8.535 -4.526 -4.398 1.00 0.00 O ATOM 767 CB LEU A 54 7.367 -3.937 -1.532 1.00 0.00 C ATOM 768 CG LEU A 54 8.362 -2.857 -1.101 1.00 0.00 C ATOM 769 CD1 LEU A 54 7.650 -1.717 -0.370 1.00 0.00 C ATOM 770 CD2 LEU A 54 9.494 -3.457 -0.265 1.00 0.00 C ATOM 0 H LEU A 54 6.429 -5.835 -3.194 1.00 0.00 H new ATOM 0 HA LEU A 54 6.174 -2.880 -2.908 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.546 -3.953 -0.816 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.863 -4.906 -1.469 1.00 0.00 H new ATOM 0 HG LEU A 54 8.815 -2.432 -1.997 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.379 -0.963 -0.074 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.910 -1.267 -1.032 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.153 -2.108 0.518 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.187 -2.668 0.028 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.079 -3.925 0.627 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.024 -4.205 -0.854 1.00 0.00 H new ATOM 782 N LYS A 55 7.914 -2.354 -4.510 1.00 0.00 N ATOM 783 CA LYS A 55 8.872 -2.019 -5.550 1.00 0.00 C ATOM 784 C LYS A 55 10.143 -1.461 -4.906 1.00 0.00 C ATOM 785 O LYS A 55 11.145 -2.164 -4.791 1.00 0.00 O ATOM 786 CB LYS A 55 8.239 -1.079 -6.578 1.00 0.00 C ATOM 787 CG LYS A 55 7.307 -1.844 -7.520 1.00 0.00 C ATOM 788 CD LYS A 55 7.680 -1.595 -8.982 1.00 0.00 C ATOM 789 CE LYS A 55 6.436 -1.298 -9.823 1.00 0.00 C ATOM 790 NZ LYS A 55 6.773 -1.293 -11.264 1.00 0.00 N ATOM 0 H LYS A 55 7.331 -1.576 -4.200 1.00 0.00 H new ATOM 0 HA LYS A 55 9.161 -2.912 -6.104 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.681 -0.296 -6.065 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.021 -0.586 -7.156 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.361 -2.911 -7.304 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.276 -1.536 -7.347 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.375 -0.758 -9.046 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.195 -2.468 -9.383 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.669 -2.047 -9.626 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.019 -0.332 -9.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.918 -1.090 -11.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.489 -0.562 -11.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.150 -2.224 -11.536 1.00 0.00 H new ATOM 880 N PRO A 61 9.854 7.634 -3.280 1.00 0.00 N ATOM 881 CA PRO A 61 9.982 6.811 -2.090 1.00 0.00 C ATOM 882 C PRO A 61 9.543 5.372 -2.369 1.00 0.00 C ATOM 883 O PRO A 61 9.045 5.070 -3.452 1.00 0.00 O ATOM 884 CB PRO A 61 9.126 7.500 -1.041 1.00 0.00 C ATOM 885 CG PRO A 61 8.186 8.417 -1.806 1.00 0.00 C ATOM 886 CD PRO A 61 8.708 8.537 -3.229 1.00 0.00 C ATOM 0 HA PRO A 61 11.013 6.723 -1.748 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.568 6.772 -0.453 1.00 0.00 H new ATOM 0 HB3 PRO A 61 9.743 8.067 -0.344 1.00 0.00 H new ATOM 0 HG2 PRO A 61 7.173 8.014 -1.804 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.140 9.398 -1.332 1.00 0.00 H new ATOM 0 HD2 PRO A 61 7.947 8.252 -3.955 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.000 9.562 -3.459 1.00 0.00 H new ATOM 894 N PRO A 62 9.750 4.499 -1.346 1.00 0.00 N ATOM 895 CA PRO A 62 9.381 3.099 -1.471 1.00 0.00 C ATOM 896 C PRO A 62 7.865 2.920 -1.363 1.00 0.00 C ATOM 897 O PRO A 62 7.255 3.338 -0.380 1.00 0.00 O ATOM 898 CB PRO A 62 10.143 2.392 -0.362 1.00 0.00 C ATOM 899 CG PRO A 62 10.542 3.475 0.626 1.00 0.00 C ATOM 900 CD PRO A 62 10.338 4.821 -0.050 1.00 0.00 C ATOM 0 HA PRO A 62 9.639 2.680 -2.444 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.522 1.636 0.118 1.00 0.00 H new ATOM 0 HB3 PRO A 62 11.021 1.880 -0.756 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.938 3.407 1.531 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.583 3.353 0.927 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.679 5.462 0.535 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.282 5.354 -0.165 1.00 0.00 H new ATOM 908 N PHE A 63 7.301 2.298 -2.388 1.00 0.00 N ATOM 909 CA PHE A 63 5.868 2.059 -2.421 1.00 0.00 C ATOM 910 C PHE A 63 5.565 0.568 -2.584 1.00 0.00 C ATOM 911 O PHE A 63 6.388 -0.183 -3.107 1.00 0.00 O ATOM 912 CB PHE A 63 5.316 2.814 -3.632 1.00 0.00 C ATOM 913 CG PHE A 63 6.017 2.476 -4.949 1.00 0.00 C ATOM 914 CD1 PHE A 63 7.235 3.012 -5.229 1.00 0.00 C ATOM 915 CD2 PHE A 63 5.421 1.640 -5.841 1.00 0.00 C ATOM 916 CE1 PHE A 63 7.885 2.698 -6.451 1.00 0.00 C ATOM 917 CE2 PHE A 63 6.071 1.326 -7.063 1.00 0.00 C ATOM 918 CZ PHE A 63 7.289 1.862 -7.343 1.00 0.00 C ATOM 0 H PHE A 63 7.810 1.952 -3.201 1.00 0.00 H new ATOM 0 HA PHE A 63 5.413 2.396 -1.489 1.00 0.00 H new ATOM 0 HB2 PHE A 63 4.253 2.593 -3.731 1.00 0.00 H new ATOM 0 HB3 PHE A 63 5.404 3.885 -3.450 1.00 0.00 H new ATOM 0 HD1 PHE A 63 7.708 3.677 -4.521 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.453 1.215 -5.619 1.00 0.00 H new ATOM 0 HE1 PHE A 63 8.853 3.123 -6.673 1.00 0.00 H new ATOM 0 HE2 PHE A 63 5.598 0.661 -7.771 1.00 0.00 H new ATOM 0 HZ PHE A 63 7.783 1.624 -8.273 1.00 0.00 H new ATOM 928 N ALA A 64 4.383 0.183 -2.127 1.00 0.00 N ATOM 929 CA ALA A 64 3.961 -1.204 -2.216 1.00 0.00 C ATOM 930 C ALA A 64 2.441 -1.261 -2.383 1.00 0.00 C ATOM 931 O ALA A 64 1.738 -0.316 -2.029 1.00 0.00 O ATOM 932 CB ALA A 64 4.440 -1.964 -0.977 1.00 0.00 C ATOM 0 H ALA A 64 3.704 0.808 -1.693 1.00 0.00 H new ATOM 0 HA ALA A 64 4.407 -1.685 -3.087 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.123 -3.005 -1.044 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.528 -1.918 -0.920 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.011 -1.511 -0.084 1.00 0.00 H new ATOM 938 N PHE A 65 1.979 -2.380 -2.922 1.00 0.00 N ATOM 939 CA PHE A 65 0.555 -2.572 -3.141 1.00 0.00 C ATOM 940 C PHE A 65 0.040 -3.783 -2.360 1.00 0.00 C ATOM 941 O PHE A 65 0.335 -4.924 -2.712 1.00 0.00 O ATOM 942 CB PHE A 65 0.362 -2.825 -4.637 1.00 0.00 C ATOM 943 CG PHE A 65 0.670 -1.613 -5.518 1.00 0.00 C ATOM 944 CD1 PHE A 65 1.960 -1.289 -5.803 1.00 0.00 C ATOM 945 CD2 PHE A 65 -0.346 -0.859 -6.017 1.00 0.00 C ATOM 946 CE1 PHE A 65 2.245 -0.163 -6.621 1.00 0.00 C ATOM 947 CE2 PHE A 65 -0.061 0.267 -6.834 1.00 0.00 C ATOM 948 CZ PHE A 65 1.229 0.591 -7.119 1.00 0.00 C ATOM 0 H PHE A 65 2.565 -3.162 -3.213 1.00 0.00 H new ATOM 0 HA PHE A 65 0.005 -1.694 -2.803 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.002 -3.654 -4.940 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.668 -3.136 -4.812 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.767 -1.888 -5.408 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -1.370 -1.117 -5.792 1.00 0.00 H new ATOM 0 HE1 PHE A 65 3.269 0.094 -6.847 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.868 0.866 -7.229 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.446 1.447 -7.741 1.00 0.00 H new ATOM 958 N VAL A 66 -0.722 -3.493 -1.316 1.00 0.00 N ATOM 959 CA VAL A 66 -1.281 -4.544 -0.483 1.00 0.00 C ATOM 960 C VAL A 66 -2.680 -4.899 -0.989 1.00 0.00 C ATOM 961 O VAL A 66 -3.456 -4.017 -1.353 1.00 0.00 O ATOM 962 CB VAL A 66 -1.269 -4.110 0.985 1.00 0.00 C ATOM 963 CG1 VAL A 66 -1.460 -5.312 1.913 1.00 0.00 C ATOM 964 CG2 VAL A 66 0.018 -3.355 1.323 1.00 0.00 C ATOM 0 H VAL A 66 -0.965 -2.545 -1.028 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.673 -5.446 -0.547 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.107 -3.430 1.141 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.448 -4.977 2.950 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.416 -5.790 1.698 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.653 -6.027 1.753 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.001 -3.058 2.372 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.877 -4.001 1.143 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.094 -2.467 0.696 1.00 0.00 H new ATOM 974 N GLU A 67 -2.961 -6.194 -0.996 1.00 0.00 N ATOM 975 CA GLU A 67 -4.253 -6.678 -1.451 1.00 0.00 C ATOM 976 C GLU A 67 -4.963 -7.436 -0.328 1.00 0.00 C ATOM 977 O GLU A 67 -4.353 -8.260 0.352 1.00 0.00 O ATOM 978 CB GLU A 67 -4.103 -7.556 -2.695 1.00 0.00 C ATOM 979 CG GLU A 67 -5.462 -7.827 -3.343 1.00 0.00 C ATOM 980 CD GLU A 67 -5.315 -8.055 -4.849 1.00 0.00 C ATOM 981 OE1 GLU A 67 -5.312 -7.040 -5.579 1.00 0.00 O ATOM 982 OE2 GLU A 67 -5.210 -9.238 -5.236 1.00 0.00 O ATOM 0 H GLU A 67 -2.315 -6.923 -0.694 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.864 -5.818 -1.725 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.445 -7.066 -3.413 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.631 -8.500 -2.423 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.921 -8.702 -2.882 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.130 -6.985 -3.162 1.00 0.00 H new ATOM 989 N PHE A 68 -6.242 -7.129 -0.166 1.00 0.00 N ATOM 990 CA PHE A 68 -7.041 -7.771 0.864 1.00 0.00 C ATOM 991 C PHE A 68 -7.928 -8.865 0.267 1.00 0.00 C ATOM 992 O PHE A 68 -8.200 -8.863 -0.933 1.00 0.00 O ATOM 993 CB PHE A 68 -7.930 -6.689 1.479 1.00 0.00 C ATOM 994 CG PHE A 68 -7.311 -5.989 2.690 1.00 0.00 C ATOM 995 CD1 PHE A 68 -7.483 -6.506 3.936 1.00 0.00 C ATOM 996 CD2 PHE A 68 -6.589 -4.848 2.521 1.00 0.00 C ATOM 997 CE1 PHE A 68 -6.908 -5.857 5.060 1.00 0.00 C ATOM 998 CE2 PHE A 68 -6.014 -4.199 3.645 1.00 0.00 C ATOM 999 CZ PHE A 68 -6.186 -4.716 4.891 1.00 0.00 C ATOM 0 H PHE A 68 -6.745 -6.444 -0.731 1.00 0.00 H new ATOM 0 HA PHE A 68 -6.390 -8.233 1.606 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -8.156 -5.943 0.717 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -8.878 -7.138 1.777 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -8.057 -7.411 4.070 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.453 -4.436 1.532 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -7.044 -6.269 6.049 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.440 -3.294 3.511 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.750 -4.221 5.746 1.00 0.00 H new ATOM 1009 N GLU A 69 -8.356 -9.773 1.132 1.00 0.00 N ATOM 1010 CA GLU A 69 -9.207 -10.871 0.705 1.00 0.00 C ATOM 1011 C GLU A 69 -10.597 -10.351 0.333 1.00 0.00 C ATOM 1012 O GLU A 69 -11.291 -10.956 -0.483 1.00 0.00 O ATOM 1013 CB GLU A 69 -9.296 -11.948 1.788 1.00 0.00 C ATOM 1014 CG GLU A 69 -7.990 -12.740 1.882 1.00 0.00 C ATOM 1015 CD GLU A 69 -7.990 -13.918 0.906 1.00 0.00 C ATOM 1016 OE1 GLU A 69 -8.196 -13.656 -0.299 1.00 0.00 O ATOM 1017 OE2 GLU A 69 -7.786 -15.053 1.387 1.00 0.00 O ATOM 0 H GLU A 69 -8.129 -9.771 2.127 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.763 -11.327 -0.179 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.514 -11.484 2.750 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.121 -12.625 1.566 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.147 -12.084 1.666 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.856 -13.107 2.900 1.00 0.00 H new ATOM 1024 N ASP A 70 -10.961 -9.236 0.949 1.00 0.00 N ATOM 1025 CA ASP A 70 -12.255 -8.628 0.692 1.00 0.00 C ATOM 1026 C ASP A 70 -12.088 -7.112 0.576 1.00 0.00 C ATOM 1027 O ASP A 70 -11.098 -6.555 1.047 1.00 0.00 O ATOM 1028 CB ASP A 70 -13.232 -8.909 1.836 1.00 0.00 C ATOM 1029 CG ASP A 70 -14.223 -10.046 1.575 1.00 0.00 C ATOM 1030 OD1 ASP A 70 -14.804 -10.049 0.469 1.00 0.00 O ATOM 1031 OD2 ASP A 70 -14.376 -10.886 2.488 1.00 0.00 O ATOM 0 H ASP A 70 -10.382 -8.738 1.625 1.00 0.00 H new ATOM 0 HA ASP A 70 -12.649 -9.052 -0.232 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -12.660 -9.145 2.733 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -13.794 -7.999 2.046 1.00 0.00 H new ATOM 1036 N PRO A 71 -13.097 -6.470 -0.072 1.00 0.00 N ATOM 1037 CA PRO A 71 -13.071 -5.029 -0.256 1.00 0.00 C ATOM 1038 C PRO A 71 -13.401 -4.303 1.050 1.00 0.00 C ATOM 1039 O PRO A 71 -12.766 -3.305 1.386 1.00 0.00 O ATOM 1040 CB PRO A 71 -14.081 -4.755 -1.359 1.00 0.00 C ATOM 1041 CG PRO A 71 -14.968 -5.988 -1.428 1.00 0.00 C ATOM 1042 CD PRO A 71 -14.286 -7.097 -0.643 1.00 0.00 C ATOM 0 HA PRO A 71 -12.085 -4.659 -0.536 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -14.668 -3.863 -1.138 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -13.581 -4.580 -2.312 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -15.952 -5.774 -1.011 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -15.120 -6.291 -2.464 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -14.939 -7.490 0.136 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -14.021 -7.934 -1.289 1.00 0.00 H new ATOM 1050 N ARG A 72 -14.393 -4.834 1.751 1.00 0.00 N ATOM 1051 CA ARG A 72 -14.814 -4.249 3.012 1.00 0.00 C ATOM 1052 C ARG A 72 -13.598 -3.771 3.808 1.00 0.00 C ATOM 1053 O ARG A 72 -13.463 -2.581 4.088 1.00 0.00 O ATOM 1054 CB ARG A 72 -15.600 -5.257 3.852 1.00 0.00 C ATOM 1055 CG ARG A 72 -16.977 -5.524 3.241 1.00 0.00 C ATOM 1056 CD ARG A 72 -17.941 -6.089 4.286 1.00 0.00 C ATOM 1057 NE ARG A 72 -19.205 -6.505 3.637 1.00 0.00 N ATOM 1058 CZ ARG A 72 -20.155 -5.654 3.229 1.00 0.00 C ATOM 1059 NH1 ARG A 72 -19.991 -4.335 3.399 1.00 0.00 N ATOM 1060 NH2 ARG A 72 -21.269 -6.121 2.649 1.00 0.00 N ATOM 0 H ARG A 72 -14.917 -5.663 1.469 1.00 0.00 H new ATOM 0 HA ARG A 72 -15.460 -3.401 2.784 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -15.042 -6.191 3.922 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -15.716 -4.878 4.867 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -17.382 -4.599 2.830 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -16.881 -6.226 2.413 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -17.485 -6.940 4.791 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -18.145 -5.338 5.049 1.00 0.00 H new ATOM 0 HE ARG A 72 -19.362 -7.502 3.492 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -19.142 -3.979 3.839 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -20.715 -3.687 3.088 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -21.394 -7.125 2.518 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -21.993 -5.473 2.338 1.00 0.00 H new ATOM 1074 N ASP A 73 -12.743 -4.724 4.151 1.00 0.00 N ATOM 1075 CA ASP A 73 -11.543 -4.415 4.909 1.00 0.00 C ATOM 1076 C ASP A 73 -10.613 -3.552 4.054 1.00 0.00 C ATOM 1077 O ASP A 73 -10.111 -2.529 4.517 1.00 0.00 O ATOM 1078 CB ASP A 73 -10.788 -5.691 5.288 1.00 0.00 C ATOM 1079 CG ASP A 73 -10.990 -6.157 6.731 1.00 0.00 C ATOM 1080 OD1 ASP A 73 -12.148 -6.078 7.196 1.00 0.00 O ATOM 1081 OD2 ASP A 73 -9.983 -6.582 7.337 1.00 0.00 O ATOM 0 H ASP A 73 -12.858 -5.710 3.918 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.843 -3.890 5.816 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -11.098 -6.492 4.617 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.723 -5.529 5.120 1.00 0.00 H new ATOM 1086 N ALA A 74 -10.411 -3.996 2.823 1.00 0.00 N ATOM 1087 CA ALA A 74 -9.550 -3.277 1.899 1.00 0.00 C ATOM 1088 C ALA A 74 -9.794 -1.774 2.047 1.00 0.00 C ATOM 1089 O ALA A 74 -8.875 -0.973 1.884 1.00 0.00 O ATOM 1090 CB ALA A 74 -9.804 -3.771 0.474 1.00 0.00 C ATOM 0 H ALA A 74 -10.829 -4.845 2.443 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.501 -3.465 2.127 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.158 -3.231 -0.219 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.589 -4.838 0.415 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.847 -3.596 0.209 1.00 0.00 H new ATOM 1096 N GLU A 75 -11.038 -1.436 2.355 1.00 0.00 N ATOM 1097 CA GLU A 75 -11.414 -0.043 2.526 1.00 0.00 C ATOM 1098 C GLU A 75 -11.058 0.433 3.936 1.00 0.00 C ATOM 1099 O GLU A 75 -10.188 1.287 4.106 1.00 0.00 O ATOM 1100 CB GLU A 75 -12.903 0.162 2.238 1.00 0.00 C ATOM 1101 CG GLU A 75 -13.229 -0.168 0.780 1.00 0.00 C ATOM 1102 CD GLU A 75 -13.922 1.011 0.093 1.00 0.00 C ATOM 1103 OE1 GLU A 75 -14.977 1.432 0.616 1.00 0.00 O ATOM 1104 OE2 GLU A 75 -13.382 1.463 -0.939 1.00 0.00 O ATOM 0 H GLU A 75 -11.798 -2.103 2.490 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.853 0.556 1.809 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -13.496 -0.470 2.899 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -13.180 1.194 2.452 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -12.312 -0.417 0.246 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -13.872 -1.047 0.737 1.00 0.00 H new ATOM 1111 N ASP A 76 -11.748 -0.139 4.911 1.00 0.00 N ATOM 1112 CA ASP A 76 -11.515 0.216 6.301 1.00 0.00 C ATOM 1113 C ASP A 76 -10.012 0.382 6.536 1.00 0.00 C ATOM 1114 O ASP A 76 -9.596 1.178 7.376 1.00 0.00 O ATOM 1115 CB ASP A 76 -12.022 -0.879 7.242 1.00 0.00 C ATOM 1116 CG ASP A 76 -13.536 -0.891 7.463 1.00 0.00 C ATOM 1117 OD1 ASP A 76 -14.189 0.054 6.970 1.00 0.00 O ATOM 1118 OD2 ASP A 76 -14.006 -1.845 8.121 1.00 0.00 O ATOM 0 H ASP A 76 -12.469 -0.846 4.766 1.00 0.00 H new ATOM 0 HA ASP A 76 -12.049 1.144 6.506 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.720 -1.848 6.844 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -11.530 -0.764 8.208 1.00 0.00 H new ATOM 1123 N ALA A 77 -9.239 -0.382 5.778 1.00 0.00 N ATOM 1124 CA ALA A 77 -7.792 -0.329 5.893 1.00 0.00 C ATOM 1125 C ALA A 77 -7.280 0.959 5.246 1.00 0.00 C ATOM 1126 O ALA A 77 -6.780 1.847 5.935 1.00 0.00 O ATOM 1127 CB ALA A 77 -7.183 -1.582 5.259 1.00 0.00 C ATOM 0 H ALA A 77 -9.588 -1.041 5.082 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.491 -0.314 6.940 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.097 -1.542 5.345 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.556 -2.468 5.773 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.462 -1.629 4.206 1.00 0.00 H new ATOM 1133 N VAL A 78 -7.422 1.020 3.930 1.00 0.00 N ATOM 1134 CA VAL A 78 -6.980 2.185 3.183 1.00 0.00 C ATOM 1135 C VAL A 78 -7.479 3.452 3.880 1.00 0.00 C ATOM 1136 O VAL A 78 -6.809 4.484 3.855 1.00 0.00 O ATOM 1137 CB VAL A 78 -7.444 2.081 1.729 1.00 0.00 C ATOM 1138 CG1 VAL A 78 -8.841 2.680 1.555 1.00 0.00 C ATOM 1139 CG2 VAL A 78 -6.441 2.746 0.784 1.00 0.00 C ATOM 0 H VAL A 78 -7.837 0.281 3.362 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.891 2.234 3.160 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.498 1.024 1.470 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -9.147 2.593 0.512 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.548 2.143 2.187 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -8.824 3.731 1.842 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.795 2.658 -0.243 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.340 3.800 1.044 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.472 2.255 0.877 1.00 0.00 H new ATOM 1149 N TYR A 79 -8.651 3.333 4.487 1.00 0.00 N ATOM 1150 CA TYR A 79 -9.247 4.457 5.190 1.00 0.00 C ATOM 1151 C TYR A 79 -8.675 4.584 6.604 1.00 0.00 C ATOM 1152 O TYR A 79 -8.582 5.686 7.142 1.00 0.00 O ATOM 1153 CB TYR A 79 -10.743 4.149 5.284 1.00 0.00 C ATOM 1154 CG TYR A 79 -11.575 4.759 4.153 1.00 0.00 C ATOM 1155 CD1 TYR A 79 -11.749 4.064 2.973 1.00 0.00 C ATOM 1156 CD2 TYR A 79 -12.151 6.002 4.314 1.00 0.00 C ATOM 1157 CE1 TYR A 79 -12.532 4.638 1.910 1.00 0.00 C ATOM 1158 CE2 TYR A 79 -12.935 6.575 3.250 1.00 0.00 C ATOM 1159 CZ TYR A 79 -13.086 5.865 2.101 1.00 0.00 C ATOM 1160 OH TYR A 79 -13.826 6.406 1.096 1.00 0.00 O ATOM 0 H TYR A 79 -9.204 2.476 4.507 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.044 5.390 4.665 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -10.882 3.068 5.282 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -11.120 4.517 6.238 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -11.298 3.091 2.847 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -12.014 6.545 5.237 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -12.676 4.106 0.981 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -13.392 7.547 3.363 1.00 0.00 H new ATOM 0 HH TYR A 79 -14.161 7.285 1.373 1.00 0.00 H new ATOM 1170 N GLY A 80 -8.307 3.442 7.164 1.00 0.00 N ATOM 1171 CA GLY A 80 -7.747 3.412 8.505 1.00 0.00 C ATOM 1172 C GLY A 80 -6.259 3.765 8.485 1.00 0.00 C ATOM 1173 O GLY A 80 -5.878 4.885 8.824 1.00 0.00 O ATOM 0 H GLY A 80 -8.385 2.530 6.714 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.283 4.115 9.143 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.884 2.421 8.938 1.00 0.00 H new ATOM 1177 N ARG A 81 -5.457 2.790 8.084 1.00 0.00 N ATOM 1178 CA ARG A 81 -4.019 2.984 8.016 1.00 0.00 C ATOM 1179 C ARG A 81 -3.696 4.385 7.494 1.00 0.00 C ATOM 1180 O ARG A 81 -2.783 5.042 7.993 1.00 0.00 O ATOM 1181 CB ARG A 81 -3.365 1.944 7.103 1.00 0.00 C ATOM 1182 CG ARG A 81 -3.747 0.525 7.527 1.00 0.00 C ATOM 1183 CD ARG A 81 -3.646 0.360 9.045 1.00 0.00 C ATOM 1184 NE ARG A 81 -2.260 0.628 9.492 1.00 0.00 N ATOM 1185 CZ ARG A 81 -1.918 0.894 10.760 1.00 0.00 C ATOM 1186 NH1 ARG A 81 -2.858 0.931 11.714 1.00 0.00 N ATOM 1187 NH2 ARG A 81 -0.636 1.124 11.074 1.00 0.00 N ATOM 0 H ARG A 81 -5.776 1.863 7.803 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.621 2.868 9.024 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.674 2.115 6.072 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.281 2.057 7.134 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.764 0.305 7.201 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -3.092 -0.194 7.035 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.335 1.044 9.540 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.940 -0.650 9.330 1.00 0.00 H new ATOM 0 HE ARG A 81 -1.519 0.609 8.791 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -3.834 0.757 11.475 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -2.597 1.133 12.679 1.00 0.00 H new ATOM 0 HH21 ARG A 81 0.080 1.097 10.348 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -0.376 1.326 12.039 1.00 0.00 H new ATOM 1201 N ASP A 82 -4.463 4.802 6.498 1.00 0.00 N ATOM 1202 CA ASP A 82 -4.271 6.114 5.903 1.00 0.00 C ATOM 1203 C ASP A 82 -4.225 7.169 7.010 1.00 0.00 C ATOM 1204 O ASP A 82 -5.231 7.424 7.671 1.00 0.00 O ATOM 1205 CB ASP A 82 -5.423 6.466 4.961 1.00 0.00 C ATOM 1206 CG ASP A 82 -5.654 7.964 4.753 1.00 0.00 C ATOM 1207 OD1 ASP A 82 -4.751 8.602 4.169 1.00 0.00 O ATOM 1208 OD2 ASP A 82 -6.728 8.438 5.182 1.00 0.00 O ATOM 0 H ASP A 82 -5.219 4.254 6.087 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.338 6.095 5.339 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.234 6.005 3.992 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -6.339 6.023 5.351 1.00 0.00 H new ATOM 1213 N GLY A 83 -3.048 7.754 7.178 1.00 0.00 N ATOM 1214 CA GLY A 83 -2.859 8.776 8.193 1.00 0.00 C ATOM 1215 C GLY A 83 -2.232 8.184 9.457 1.00 0.00 C ATOM 1216 O GLY A 83 -2.432 8.702 10.555 1.00 0.00 O ATOM 0 H GLY A 83 -2.216 7.540 6.628 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -2.220 9.568 7.802 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.818 9.232 8.438 1.00 0.00 H new ATOM 1220 N TYR A 84 -1.487 7.106 9.260 1.00 0.00 N ATOM 1221 CA TYR A 84 -0.830 6.438 10.370 1.00 0.00 C ATOM 1222 C TYR A 84 0.635 6.867 10.480 1.00 0.00 C ATOM 1223 O TYR A 84 1.276 7.163 9.473 1.00 0.00 O ATOM 1224 CB TYR A 84 -0.888 4.942 10.056 1.00 0.00 C ATOM 1225 CG TYR A 84 -0.022 4.078 10.976 1.00 0.00 C ATOM 1226 CD1 TYR A 84 -0.185 4.151 12.344 1.00 0.00 C ATOM 1227 CD2 TYR A 84 0.921 3.227 10.437 1.00 0.00 C ATOM 1228 CE1 TYR A 84 0.629 3.338 13.210 1.00 0.00 C ATOM 1229 CE2 TYR A 84 1.736 2.415 11.303 1.00 0.00 C ATOM 1230 CZ TYR A 84 1.549 2.510 12.647 1.00 0.00 C ATOM 1231 OH TYR A 84 2.319 1.743 13.465 1.00 0.00 O ATOM 0 H TYR A 84 -1.324 6.679 8.348 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.320 6.687 11.311 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.923 4.606 10.127 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.572 4.785 9.025 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -0.923 4.818 12.765 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.048 3.170 9.366 1.00 0.00 H new ATOM 0 HE1 TYR A 84 0.511 3.385 14.283 1.00 0.00 H new ATOM 0 HE2 TYR A 84 2.479 1.746 10.895 1.00 0.00 H new ATOM 0 HH TYR A 84 2.559 0.912 13.004 1.00 0.00 H new ATOM 1241 N ASP A 85 1.121 6.889 11.712 1.00 0.00 N ATOM 1242 CA ASP A 85 2.498 7.277 11.967 1.00 0.00 C ATOM 1243 C ASP A 85 3.299 6.047 12.398 1.00 0.00 C ATOM 1244 O ASP A 85 3.017 5.451 13.437 1.00 0.00 O ATOM 1245 CB ASP A 85 2.579 8.312 13.090 1.00 0.00 C ATOM 1246 CG ASP A 85 1.370 8.347 14.026 1.00 0.00 C ATOM 1247 OD1 ASP A 85 1.219 7.373 14.795 1.00 0.00 O ATOM 1248 OD2 ASP A 85 0.623 9.347 13.952 1.00 0.00 O ATOM 0 H ASP A 85 0.586 6.644 12.545 1.00 0.00 H new ATOM 0 HA ASP A 85 2.902 7.707 11.051 1.00 0.00 H new ATOM 0 HB2 ASP A 85 3.472 8.114 13.682 1.00 0.00 H new ATOM 0 HB3 ASP A 85 2.704 9.299 12.645 1.00 0.00 H new ATOM 1253 N TYR A 86 4.282 5.703 11.579 1.00 0.00 N ATOM 1254 CA TYR A 86 5.126 4.555 11.863 1.00 0.00 C ATOM 1255 C TYR A 86 6.604 4.950 11.875 1.00 0.00 C ATOM 1256 O TYR A 86 7.093 5.568 10.931 1.00 0.00 O ATOM 1257 CB TYR A 86 4.885 3.563 10.724 1.00 0.00 C ATOM 1258 CG TYR A 86 5.716 2.282 10.828 1.00 0.00 C ATOM 1259 CD1 TYR A 86 5.269 1.230 11.602 1.00 0.00 C ATOM 1260 CD2 TYR A 86 6.912 2.179 10.148 1.00 0.00 C ATOM 1261 CE1 TYR A 86 6.051 0.025 11.700 1.00 0.00 C ATOM 1262 CE2 TYR A 86 7.694 0.974 10.246 1.00 0.00 C ATOM 1263 CZ TYR A 86 7.225 -0.043 11.017 1.00 0.00 C ATOM 1264 OH TYR A 86 7.964 -1.182 11.109 1.00 0.00 O ATOM 0 H TYR A 86 4.513 6.199 10.718 1.00 0.00 H new ATOM 0 HA TYR A 86 4.887 4.136 12.840 1.00 0.00 H new ATOM 0 HB2 TYR A 86 3.828 3.298 10.705 1.00 0.00 H new ATOM 0 HB3 TYR A 86 5.108 4.053 9.776 1.00 0.00 H new ATOM 0 HD1 TYR A 86 4.333 1.311 12.134 1.00 0.00 H new ATOM 0 HD2 TYR A 86 7.262 3.002 9.542 1.00 0.00 H new ATOM 0 HE1 TYR A 86 5.713 -0.806 12.302 1.00 0.00 H new ATOM 0 HE2 TYR A 86 8.632 0.880 9.719 1.00 0.00 H new ATOM 0 HH TYR A 86 8.776 -1.090 10.569 1.00 0.00 H new ATOM 1274 N ASP A 87 7.274 4.578 12.956 1.00 0.00 N ATOM 1275 CA ASP A 87 8.686 4.886 13.103 1.00 0.00 C ATOM 1276 C ASP A 87 8.881 6.403 13.059 1.00 0.00 C ATOM 1277 O ASP A 87 9.969 6.884 12.747 1.00 0.00 O ATOM 1278 CB ASP A 87 9.506 4.271 11.967 1.00 0.00 C ATOM 1279 CG ASP A 87 10.991 4.069 12.277 1.00 0.00 C ATOM 1280 OD1 ASP A 87 11.466 4.723 13.230 1.00 0.00 O ATOM 1281 OD2 ASP A 87 11.617 3.265 11.553 1.00 0.00 O ATOM 0 H ASP A 87 6.865 4.066 13.738 1.00 0.00 H new ATOM 0 HA ASP A 87 9.023 4.474 14.054 1.00 0.00 H new ATOM 0 HB2 ASP A 87 9.070 3.307 11.706 1.00 0.00 H new ATOM 0 HB3 ASP A 87 9.417 4.910 11.088 1.00 0.00 H new ATOM 1286 N GLY A 88 7.808 7.114 13.374 1.00 0.00 N ATOM 1287 CA GLY A 88 7.847 8.567 13.374 1.00 0.00 C ATOM 1288 C GLY A 88 7.590 9.122 11.971 1.00 0.00 C ATOM 1289 O GLY A 88 7.367 10.320 11.805 1.00 0.00 O ATOM 0 H GLY A 88 6.907 6.711 13.631 1.00 0.00 H new ATOM 0 HA2 GLY A 88 7.098 8.955 14.065 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.818 8.908 13.732 1.00 0.00 H new ATOM 1293 N TYR A 89 7.630 8.224 10.998 1.00 0.00 N ATOM 1294 CA TYR A 89 7.405 8.609 9.615 1.00 0.00 C ATOM 1295 C TYR A 89 5.924 8.492 9.248 1.00 0.00 C ATOM 1296 O TYR A 89 5.298 7.464 9.500 1.00 0.00 O ATOM 1297 CB TYR A 89 8.208 7.621 8.766 1.00 0.00 C ATOM 1298 CG TYR A 89 9.490 8.209 8.173 1.00 0.00 C ATOM 1299 CD1 TYR A 89 9.453 9.420 7.513 1.00 0.00 C ATOM 1300 CD2 TYR A 89 10.684 7.528 8.299 1.00 0.00 C ATOM 1301 CE1 TYR A 89 10.660 9.974 6.955 1.00 0.00 C ATOM 1302 CE2 TYR A 89 11.890 8.082 7.742 1.00 0.00 C ATOM 1303 CZ TYR A 89 11.819 9.277 7.097 1.00 0.00 C ATOM 1304 OH TYR A 89 12.959 9.800 6.570 1.00 0.00 O ATOM 0 H TYR A 89 7.815 7.231 11.140 1.00 0.00 H new ATOM 0 HA TYR A 89 7.707 9.643 9.450 1.00 0.00 H new ATOM 0 HB2 TYR A 89 8.466 6.757 9.379 1.00 0.00 H new ATOM 0 HB3 TYR A 89 7.577 7.259 7.954 1.00 0.00 H new ATOM 0 HD1 TYR A 89 8.519 9.953 7.415 1.00 0.00 H new ATOM 0 HD2 TYR A 89 10.713 6.580 8.815 1.00 0.00 H new ATOM 0 HE1 TYR A 89 10.645 10.921 6.436 1.00 0.00 H new ATOM 0 HE2 TYR A 89 12.831 7.560 7.834 1.00 0.00 H new ATOM 0 HH TYR A 89 13.709 9.195 6.748 1.00 0.00 H new ATOM 1314 N ARG A 90 5.407 9.560 8.659 1.00 0.00 N ATOM 1315 CA ARG A 90 4.012 9.591 8.255 1.00 0.00 C ATOM 1316 C ARG A 90 3.815 8.789 6.966 1.00 0.00 C ATOM 1317 O ARG A 90 4.597 8.917 6.026 1.00 0.00 O ATOM 1318 CB ARG A 90 3.534 11.027 8.032 1.00 0.00 C ATOM 1319 CG ARG A 90 4.325 11.699 6.908 1.00 0.00 C ATOM 1320 CD ARG A 90 4.906 13.037 7.370 1.00 0.00 C ATOM 1321 NE ARG A 90 3.884 14.101 7.253 1.00 0.00 N ATOM 1322 CZ ARG A 90 3.996 15.315 7.809 1.00 0.00 C ATOM 1323 NH1 ARG A 90 5.086 15.626 8.524 1.00 0.00 N ATOM 1324 NH2 ARG A 90 3.019 16.217 7.651 1.00 0.00 N ATOM 0 H ARG A 90 5.930 10.411 8.452 1.00 0.00 H new ATOM 0 HA ARG A 90 3.425 9.146 9.058 1.00 0.00 H new ATOM 0 HB2 ARG A 90 2.472 11.027 7.785 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.646 11.599 8.953 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.131 11.042 6.582 1.00 0.00 H new ATOM 0 HG3 ARG A 90 3.676 11.858 6.047 1.00 0.00 H new ATOM 0 HD2 ARG A 90 5.244 12.958 8.403 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.778 13.291 6.768 1.00 0.00 H new ATOM 0 HE ARG A 90 3.041 13.897 6.715 1.00 0.00 H new ATOM 0 HH11 ARG A 90 5.830 14.939 8.645 1.00 0.00 H new ATOM 0 HH12 ARG A 90 5.172 16.550 8.947 1.00 0.00 H new ATOM 0 HH21 ARG A 90 2.189 15.980 7.107 1.00 0.00 H new ATOM 0 HH22 ARG A 90 3.105 17.141 8.074 1.00 0.00 H new ATOM 1338 N LEU A 91 2.765 7.980 6.965 1.00 0.00 N ATOM 1339 CA LEU A 91 2.456 7.158 5.808 1.00 0.00 C ATOM 1340 C LEU A 91 1.233 7.734 5.091 1.00 0.00 C ATOM 1341 O LEU A 91 0.499 8.541 5.659 1.00 0.00 O ATOM 1342 CB LEU A 91 2.294 5.693 6.219 1.00 0.00 C ATOM 1343 CG LEU A 91 3.420 5.109 7.074 1.00 0.00 C ATOM 1344 CD1 LEU A 91 2.954 3.849 7.807 1.00 0.00 C ATOM 1345 CD2 LEU A 91 4.671 4.853 6.233 1.00 0.00 C ATOM 0 H LEU A 91 2.118 7.877 7.747 1.00 0.00 H new ATOM 0 HA LEU A 91 3.282 7.176 5.097 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.358 5.591 6.768 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.201 5.091 5.315 1.00 0.00 H new ATOM 0 HG LEU A 91 3.688 5.843 7.834 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.773 3.454 8.408 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.114 4.096 8.456 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.643 3.099 7.080 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.456 4.438 6.865 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.436 4.147 5.436 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.015 5.791 5.797 1.00 0.00 H new ATOM 1357 N ARG A 92 1.052 7.297 3.853 1.00 0.00 N ATOM 1358 CA ARG A 92 -0.069 7.759 3.053 1.00 0.00 C ATOM 1359 C ARG A 92 -0.702 6.587 2.299 1.00 0.00 C ATOM 1360 O ARG A 92 -0.216 6.191 1.241 1.00 0.00 O ATOM 1361 CB ARG A 92 0.374 8.824 2.047 1.00 0.00 C ATOM 1362 CG ARG A 92 -0.224 10.189 2.395 1.00 0.00 C ATOM 1363 CD ARG A 92 -1.664 10.301 1.890 1.00 0.00 C ATOM 1364 NE ARG A 92 -2.507 10.967 2.908 1.00 0.00 N ATOM 1365 CZ ARG A 92 -3.660 11.594 2.636 1.00 0.00 C ATOM 1366 NH1 ARG A 92 -4.114 11.643 1.376 1.00 0.00 N ATOM 1367 NH2 ARG A 92 -4.358 12.170 3.623 1.00 0.00 N ATOM 0 H ARG A 92 1.663 6.628 3.385 1.00 0.00 H new ATOM 0 HA ARG A 92 -0.801 8.198 3.731 1.00 0.00 H new ATOM 0 HB2 ARG A 92 1.462 8.891 2.038 1.00 0.00 H new ATOM 0 HB3 ARG A 92 0.065 8.533 1.043 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -0.201 10.336 3.475 1.00 0.00 H new ATOM 0 HG3 ARG A 92 0.383 10.979 1.953 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -1.689 10.867 0.959 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -2.059 9.309 1.671 1.00 0.00 H new ATOM 0 HE ARG A 92 -2.191 10.948 3.878 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -3.582 11.203 0.625 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -4.991 12.120 1.168 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.012 12.132 4.582 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -5.235 12.647 3.416 1.00 0.00 H new ATOM 1381 N VAL A 93 -1.776 6.067 2.873 1.00 0.00 N ATOM 1382 CA VAL A 93 -2.480 4.949 2.269 1.00 0.00 C ATOM 1383 C VAL A 93 -3.633 5.479 1.415 1.00 0.00 C ATOM 1384 O VAL A 93 -4.456 6.259 1.892 1.00 0.00 O ATOM 1385 CB VAL A 93 -2.940 3.972 3.353 1.00 0.00 C ATOM 1386 CG1 VAL A 93 -3.553 2.714 2.734 1.00 0.00 C ATOM 1387 CG2 VAL A 93 -1.787 3.614 4.293 1.00 0.00 C ATOM 0 H VAL A 93 -2.176 6.399 3.750 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.815 4.392 1.609 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.713 4.466 3.942 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.871 2.037 3.526 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -4.414 2.990 2.125 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.811 2.217 2.109 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.141 2.918 5.054 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.983 3.149 3.722 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.415 4.519 4.773 1.00 0.00 H new ATOM 1397 N GLU A 94 -3.656 5.035 0.167 1.00 0.00 N ATOM 1398 CA GLU A 94 -4.695 5.456 -0.758 1.00 0.00 C ATOM 1399 C GLU A 94 -4.800 4.468 -1.922 1.00 0.00 C ATOM 1400 O GLU A 94 -3.815 3.831 -2.291 1.00 0.00 O ATOM 1401 CB GLU A 94 -4.435 6.875 -1.266 1.00 0.00 C ATOM 1402 CG GLU A 94 -3.112 6.951 -2.030 1.00 0.00 C ATOM 1403 CD GLU A 94 -2.462 8.327 -1.866 1.00 0.00 C ATOM 1404 OE1 GLU A 94 -3.183 9.325 -2.082 1.00 0.00 O ATOM 1405 OE2 GLU A 94 -1.259 8.349 -1.529 1.00 0.00 O ATOM 0 H GLU A 94 -2.972 4.388 -0.225 1.00 0.00 H new ATOM 0 HA GLU A 94 -5.646 5.465 -0.226 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -5.252 7.188 -1.916 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -4.413 7.568 -0.425 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.434 6.179 -1.667 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.286 6.751 -3.087 1.00 0.00 H new ATOM 1412 N PHE A 95 -6.003 4.373 -2.469 1.00 0.00 N ATOM 1413 CA PHE A 95 -6.250 3.474 -3.583 1.00 0.00 C ATOM 1414 C PHE A 95 -5.476 3.916 -4.826 1.00 0.00 C ATOM 1415 O PHE A 95 -5.248 5.108 -5.029 1.00 0.00 O ATOM 1416 CB PHE A 95 -7.749 3.534 -3.883 1.00 0.00 C ATOM 1417 CG PHE A 95 -8.608 2.694 -2.935 1.00 0.00 C ATOM 1418 CD1 PHE A 95 -8.240 1.420 -2.634 1.00 0.00 C ATOM 1419 CD2 PHE A 95 -9.738 3.221 -2.394 1.00 0.00 C ATOM 1420 CE1 PHE A 95 -9.036 0.640 -1.754 1.00 0.00 C ATOM 1421 CE2 PHE A 95 -10.535 2.442 -1.514 1.00 0.00 C ATOM 1422 CZ PHE A 95 -10.167 1.167 -1.213 1.00 0.00 C ATOM 0 H PHE A 95 -6.818 4.904 -2.161 1.00 0.00 H new ATOM 0 HA PHE A 95 -5.927 2.465 -3.325 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.078 4.572 -3.831 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -7.918 3.196 -4.905 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.342 1.001 -3.064 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -10.030 4.233 -2.634 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -8.743 -0.372 -1.514 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -11.433 2.861 -1.084 1.00 0.00 H new ATOM 0 HZ PHE A 95 -10.773 0.574 -0.544 1.00 0.00 H new ATOM 1432 N PRO A 96 -5.081 2.907 -5.647 1.00 0.00 N ATOM 1433 CA PRO A 96 -4.337 3.179 -6.865 1.00 0.00 C ATOM 1434 C PRO A 96 -5.252 3.751 -7.950 1.00 0.00 C ATOM 1435 O PRO A 96 -5.416 3.148 -9.010 1.00 0.00 O ATOM 1436 CB PRO A 96 -3.716 1.848 -7.253 1.00 0.00 C ATOM 1437 CG PRO A 96 -4.507 0.785 -6.507 1.00 0.00 C ATOM 1438 CD PRO A 96 -5.333 1.484 -5.439 1.00 0.00 C ATOM 0 HA PRO A 96 -3.566 3.937 -6.726 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -3.770 1.691 -8.330 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -2.662 1.814 -6.979 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -5.154 0.238 -7.193 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -3.835 0.056 -6.054 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.393 1.250 -5.542 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.033 1.171 -4.439 1.00 0.00 H new