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= -1.55 K(o=-1.6,f=-0.55) 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 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 130:sc= 0.0111 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 263 N ARG A 24 -7.458 -4.057 -3.612 1.00 0.00 N ATOM 264 CA ARG A 24 -6.067 -3.661 -3.750 1.00 0.00 C ATOM 265 C ARG A 24 -5.880 -2.212 -3.297 1.00 0.00 C ATOM 266 O ARG A 24 -6.516 -1.304 -3.829 1.00 0.00 O ATOM 267 CB ARG A 24 -5.596 -3.800 -5.199 1.00 0.00 C ATOM 268 CG ARG A 24 -6.319 -2.804 -6.108 1.00 0.00 C ATOM 269 CD ARG A 24 -6.421 -3.340 -7.538 1.00 0.00 C ATOM 270 NE ARG A 24 -5.132 -3.154 -8.241 1.00 0.00 N ATOM 271 CZ ARG A 24 -4.947 -3.392 -9.547 1.00 0.00 C ATOM 272 NH1 ARG A 24 -5.967 -3.828 -10.299 1.00 0.00 N ATOM 273 NH2 ARG A 24 -3.743 -3.196 -10.100 1.00 0.00 N ATOM 0 HA ARG A 24 -5.470 -4.322 -3.121 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -4.520 -3.633 -5.253 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.779 -4.816 -5.549 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.318 -2.608 -5.717 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.785 -1.854 -6.109 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.686 -4.397 -7.521 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.215 -2.821 -8.074 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.334 -2.824 -7.698 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.884 -3.979 -9.877 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.827 -4.009 -11.293 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.966 -2.866 -9.527 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.603 -3.377 -11.094 1.00 0.00 H new ATOM 287 N ILE A 25 -5.004 -2.040 -2.318 1.00 0.00 N ATOM 288 CA ILE A 25 -4.725 -0.717 -1.787 1.00 0.00 C ATOM 289 C ILE A 25 -3.241 -0.397 -1.981 1.00 0.00 C ATOM 290 O ILE A 25 -2.419 -1.302 -2.109 1.00 0.00 O ATOM 291 CB ILE A 25 -5.192 -0.614 -0.333 1.00 0.00 C ATOM 292 CG1 ILE A 25 -4.363 -1.524 0.575 1.00 0.00 C ATOM 293 CG2 ILE A 25 -6.690 -0.898 -0.217 1.00 0.00 C ATOM 294 CD1 ILE A 25 -4.158 -0.887 1.950 1.00 0.00 C ATOM 0 H ILE A 25 -4.478 -2.795 -1.879 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.289 0.040 -2.333 1.00 0.00 H new ATOM 0 HB ILE A 25 -5.032 0.410 0.006 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.864 -2.486 0.687 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.395 -1.720 0.113 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.996 -0.818 0.826 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -7.245 -0.174 -0.814 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.899 -1.904 -0.580 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.566 -1.555 2.576 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.635 0.063 1.837 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.127 -0.714 2.419 1.00 0.00 H new ATOM 306 N TYR A 26 -2.944 0.894 -1.995 1.00 0.00 N ATOM 307 CA TYR A 26 -1.574 1.345 -2.171 1.00 0.00 C ATOM 308 C TYR A 26 -1.093 2.126 -0.946 1.00 0.00 C ATOM 309 O TYR A 26 -1.832 2.939 -0.394 1.00 0.00 O ATOM 310 CB TYR A 26 -1.590 2.280 -3.383 1.00 0.00 C ATOM 311 CG TYR A 26 -0.354 3.174 -3.495 1.00 0.00 C ATOM 312 CD1 TYR A 26 -0.314 4.382 -2.828 1.00 0.00 C ATOM 313 CD2 TYR A 26 0.720 2.774 -4.262 1.00 0.00 C ATOM 314 CE1 TYR A 26 0.849 5.225 -2.933 1.00 0.00 C ATOM 315 CE2 TYR A 26 1.884 3.616 -4.367 1.00 0.00 C ATOM 316 CZ TYR A 26 1.891 4.800 -3.698 1.00 0.00 C ATOM 317 OH TYR A 26 2.989 5.595 -3.797 1.00 0.00 O ATOM 0 H TYR A 26 -3.629 1.642 -1.887 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.905 0.496 -2.307 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.676 1.681 -4.290 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.478 2.910 -3.331 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -1.155 4.695 -2.227 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.688 1.829 -4.784 1.00 0.00 H new ATOM 0 HE1 TYR A 26 0.893 6.172 -2.417 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.732 3.314 -4.964 1.00 0.00 H new ATOM 0 HH TYR A 26 3.654 5.164 -4.374 1.00 0.00 H new ATOM 327 N VAL A 27 0.144 1.851 -0.558 1.00 0.00 N ATOM 328 CA VAL A 27 0.733 2.517 0.591 1.00 0.00 C ATOM 329 C VAL A 27 1.959 3.314 0.140 1.00 0.00 C ATOM 330 O VAL A 27 2.827 2.785 -0.553 1.00 0.00 O ATOM 331 CB VAL A 27 1.054 1.493 1.682 1.00 0.00 C ATOM 332 CG1 VAL A 27 1.548 2.185 2.954 1.00 0.00 C ATOM 333 CG2 VAL A 27 -0.158 0.606 1.974 1.00 0.00 C ATOM 0 H VAL A 27 0.754 1.176 -1.019 1.00 0.00 H new ATOM 0 HA VAL A 27 0.027 3.225 1.026 1.00 0.00 H new ATOM 0 HB VAL A 27 1.857 0.853 1.316 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.769 1.435 3.714 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.451 2.754 2.732 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.776 2.860 3.324 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.096 -0.113 2.753 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.990 1.225 2.310 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.445 0.073 1.068 1.00 0.00 H new ATOM 343 N GLY A 28 1.991 4.573 0.551 1.00 0.00 N ATOM 344 CA GLY A 28 3.096 5.448 0.198 1.00 0.00 C ATOM 345 C GLY A 28 3.713 6.083 1.446 1.00 0.00 C ATOM 346 O GLY A 28 3.318 5.767 2.567 1.00 0.00 O ATOM 0 H GLY A 28 1.269 5.008 1.125 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.856 4.881 -0.340 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.745 6.229 -0.476 1.00 0.00 H new ATOM 350 N ASN A 29 4.671 6.966 1.209 1.00 0.00 N ATOM 351 CA ASN A 29 5.347 7.648 2.300 1.00 0.00 C ATOM 352 C ASN A 29 5.848 6.614 3.310 1.00 0.00 C ATOM 353 O ASN A 29 5.515 6.683 4.492 1.00 0.00 O ATOM 354 CB ASN A 29 4.395 8.598 3.029 1.00 0.00 C ATOM 355 CG ASN A 29 5.142 9.823 3.561 1.00 0.00 C ATOM 356 OD1 ASN A 29 4.840 10.958 3.232 1.00 0.00 O ATOM 357 ND2 ASN A 29 6.133 9.530 4.399 1.00 0.00 N ATOM 0 H ASN A 29 4.996 7.225 0.277 1.00 0.00 H new ATOM 0 HA ASN A 29 6.175 8.219 1.879 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.604 8.917 2.350 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.915 8.074 3.855 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.693 10.278 4.808 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.333 8.557 4.632 1.00 0.00 H new ATOM 364 N LEU A 30 6.641 5.679 2.807 1.00 0.00 N ATOM 365 CA LEU A 30 7.191 4.632 3.650 1.00 0.00 C ATOM 366 C LEU A 30 8.663 4.935 3.937 1.00 0.00 C ATOM 367 O LEU A 30 9.297 5.699 3.210 1.00 0.00 O ATOM 368 CB LEU A 30 6.959 3.258 3.019 1.00 0.00 C ATOM 369 CG LEU A 30 5.533 2.710 3.112 1.00 0.00 C ATOM 370 CD1 LEU A 30 5.212 1.810 1.917 1.00 0.00 C ATOM 371 CD2 LEU A 30 5.307 1.994 4.445 1.00 0.00 C ATOM 0 H LEU A 30 6.915 5.625 1.826 1.00 0.00 H new ATOM 0 HA LEU A 30 6.676 4.607 4.610 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.239 3.311 1.967 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.633 2.544 3.492 1.00 0.00 H new ATOM 0 HG LEU A 30 4.841 3.551 3.076 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.193 1.434 2.008 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.306 2.383 0.994 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.908 0.971 1.896 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.286 1.614 4.485 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.007 1.163 4.535 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.467 2.694 5.265 1.00 0.00 H new ATOM 383 N PRO A 31 9.178 4.305 5.027 1.00 0.00 N ATOM 384 CA PRO A 31 10.564 4.500 5.419 1.00 0.00 C ATOM 385 C PRO A 31 11.509 3.738 4.489 1.00 0.00 C ATOM 386 O PRO A 31 11.073 2.885 3.717 1.00 0.00 O ATOM 387 CB PRO A 31 10.635 4.022 6.860 1.00 0.00 C ATOM 388 CG PRO A 31 9.408 3.150 7.072 1.00 0.00 C ATOM 389 CD PRO A 31 8.458 3.394 5.911 1.00 0.00 C ATOM 0 HA PRO A 31 10.881 5.540 5.342 1.00 0.00 H new ATOM 0 HB2 PRO A 31 11.550 3.458 7.040 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.639 4.865 7.551 1.00 0.00 H new ATOM 0 HG2 PRO A 31 9.690 2.098 7.120 1.00 0.00 H new ATOM 0 HG3 PRO A 31 8.925 3.394 8.018 1.00 0.00 H new ATOM 0 HD2 PRO A 31 8.208 2.463 5.402 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.520 3.832 6.252 1.00 0.00 H new ATOM 397 N PRO A 32 12.821 4.082 4.594 1.00 0.00 N ATOM 398 CA PRO A 32 13.832 3.440 3.772 1.00 0.00 C ATOM 399 C PRO A 32 14.127 2.024 4.271 1.00 0.00 C ATOM 400 O PRO A 32 14.562 1.169 3.502 1.00 0.00 O ATOM 401 CB PRO A 32 15.040 4.360 3.844 1.00 0.00 C ATOM 402 CG PRO A 32 14.824 5.236 5.067 1.00 0.00 C ATOM 403 CD PRO A 32 13.374 5.088 5.496 1.00 0.00 C ATOM 0 HA PRO A 32 13.511 3.306 2.739 1.00 0.00 H new ATOM 0 HB2 PRO A 32 15.963 3.787 3.932 1.00 0.00 H new ATOM 0 HB3 PRO A 32 15.125 4.964 2.941 1.00 0.00 H new ATOM 0 HG2 PRO A 32 15.493 4.937 5.874 1.00 0.00 H new ATOM 0 HG3 PRO A 32 15.049 6.277 4.835 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.299 4.771 6.536 1.00 0.00 H new ATOM 0 HD3 PRO A 32 12.838 6.033 5.412 1.00 0.00 H new ATOM 411 N ASP A 33 13.880 1.821 5.557 1.00 0.00 N ATOM 412 CA ASP A 33 14.114 0.524 6.168 1.00 0.00 C ATOM 413 C ASP A 33 12.770 -0.149 6.456 1.00 0.00 C ATOM 414 O ASP A 33 12.542 -0.640 7.561 1.00 0.00 O ATOM 415 CB ASP A 33 14.865 0.668 7.494 1.00 0.00 C ATOM 416 CG ASP A 33 15.865 -0.450 7.794 1.00 0.00 C ATOM 417 OD1 ASP A 33 16.245 -1.147 6.828 1.00 0.00 O ATOM 418 OD2 ASP A 33 16.228 -0.582 8.983 1.00 0.00 O ATOM 0 H ASP A 33 13.520 2.533 6.192 1.00 0.00 H new ATOM 0 HA ASP A 33 14.711 -0.072 5.478 1.00 0.00 H new ATOM 0 HB2 ASP A 33 15.396 1.620 7.492 1.00 0.00 H new ATOM 0 HB3 ASP A 33 14.137 0.711 8.304 1.00 0.00 H new ATOM 423 N ILE A 34 11.916 -0.150 5.444 1.00 0.00 N ATOM 424 CA ILE A 34 10.601 -0.755 5.575 1.00 0.00 C ATOM 425 C ILE A 34 10.643 -2.180 5.020 1.00 0.00 C ATOM 426 O ILE A 34 11.487 -2.501 4.185 1.00 0.00 O ATOM 427 CB ILE A 34 9.538 0.129 4.920 1.00 0.00 C ATOM 428 CG1 ILE A 34 8.135 -0.262 5.390 1.00 0.00 C ATOM 429 CG2 ILE A 34 9.661 0.097 3.395 1.00 0.00 C ATOM 430 CD1 ILE A 34 7.891 0.198 6.829 1.00 0.00 C ATOM 0 H ILE A 34 12.108 0.258 4.529 1.00 0.00 H new ATOM 0 HA ILE A 34 10.318 -0.830 6.625 1.00 0.00 H new ATOM 0 HB ILE A 34 9.709 1.158 5.235 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.390 0.183 4.731 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.014 -1.343 5.324 1.00 0.00 H new ATOM 0 HG21 ILE A 34 8.894 0.734 2.955 1.00 0.00 H new ATOM 0 HG22 ILE A 34 10.646 0.460 3.102 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.531 -0.926 3.041 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.887 -0.092 7.138 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.623 -0.268 7.489 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.989 1.282 6.886 1.00 0.00 H new ATOM 442 N ARG A 35 9.721 -2.998 5.507 1.00 0.00 N ATOM 443 CA ARG A 35 9.642 -4.382 5.071 1.00 0.00 C ATOM 444 C ARG A 35 8.212 -4.724 4.650 1.00 0.00 C ATOM 445 O ARG A 35 7.266 -4.036 5.033 1.00 0.00 O ATOM 446 CB ARG A 35 10.082 -5.336 6.183 1.00 0.00 C ATOM 447 CG ARG A 35 11.595 -5.268 6.397 1.00 0.00 C ATOM 448 CD ARG A 35 12.115 -6.550 7.051 1.00 0.00 C ATOM 449 NE ARG A 35 13.592 -6.515 7.131 1.00 0.00 N ATOM 450 CZ ARG A 35 14.331 -7.427 7.777 1.00 0.00 C ATOM 451 NH1 ARG A 35 13.735 -8.451 8.402 1.00 0.00 N ATOM 452 NH2 ARG A 35 15.666 -7.315 7.797 1.00 0.00 N ATOM 0 H ARG A 35 9.022 -2.729 6.199 1.00 0.00 H new ATOM 0 HA ARG A 35 10.313 -4.501 4.220 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.568 -5.081 7.110 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.793 -6.355 5.928 1.00 0.00 H new ATOM 0 HG2 ARG A 35 12.095 -5.115 5.440 1.00 0.00 H new ATOM 0 HG3 ARG A 35 11.839 -4.411 7.024 1.00 0.00 H new ATOM 0 HD2 ARG A 35 11.691 -6.656 8.050 1.00 0.00 H new ATOM 0 HD3 ARG A 35 11.794 -7.418 6.475 1.00 0.00 H new ATOM 0 HE ARG A 35 14.078 -5.749 6.665 1.00 0.00 H new ATOM 0 HH11 ARG A 35 12.719 -8.536 8.386 1.00 0.00 H new ATOM 0 HH12 ARG A 35 14.297 -9.145 8.894 1.00 0.00 H new ATOM 0 HH21 ARG A 35 16.120 -6.536 7.320 1.00 0.00 H new ATOM 0 HH22 ARG A 35 16.229 -8.009 8.289 1.00 0.00 H new ATOM 466 N THR A 36 8.098 -5.788 3.868 1.00 0.00 N ATOM 467 CA THR A 36 6.798 -6.230 3.391 1.00 0.00 C ATOM 468 C THR A 36 6.034 -6.943 4.509 1.00 0.00 C ATOM 469 O THR A 36 4.812 -7.065 4.450 1.00 0.00 O ATOM 470 CB THR A 36 7.021 -7.103 2.154 1.00 0.00 C ATOM 471 OG1 THR A 36 7.707 -6.248 1.245 1.00 0.00 O ATOM 472 CG2 THR A 36 5.714 -7.442 1.434 1.00 0.00 C ATOM 0 H THR A 36 8.884 -6.357 3.553 1.00 0.00 H new ATOM 0 HA THR A 36 6.174 -5.385 3.102 1.00 0.00 H new ATOM 0 HB THR A 36 7.524 -8.025 2.446 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.893 -6.735 0.415 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.928 -8.063 0.564 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.055 -7.983 2.112 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.227 -6.522 1.112 1.00 0.00 H new ATOM 480 N LYS A 37 6.787 -7.395 5.501 1.00 0.00 N ATOM 481 CA LYS A 37 6.196 -8.092 6.631 1.00 0.00 C ATOM 482 C LYS A 37 5.607 -7.070 7.604 1.00 0.00 C ATOM 483 O LYS A 37 4.445 -7.177 7.995 1.00 0.00 O ATOM 484 CB LYS A 37 7.216 -9.035 7.272 1.00 0.00 C ATOM 485 CG LYS A 37 6.561 -10.356 7.680 1.00 0.00 C ATOM 486 CD LYS A 37 7.052 -11.506 6.798 1.00 0.00 C ATOM 487 CE LYS A 37 5.976 -12.585 6.655 1.00 0.00 C ATOM 488 NZ LYS A 37 6.425 -13.645 5.725 1.00 0.00 N ATOM 0 H LYS A 37 7.801 -7.292 5.546 1.00 0.00 H new ATOM 0 HA LYS A 37 5.374 -8.727 6.299 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.028 -9.229 6.571 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.657 -8.558 8.147 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.788 -10.571 8.724 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.477 -10.269 7.600 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.322 -11.124 5.814 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.953 -11.941 7.230 1.00 0.00 H new ATOM 0 HE2 LYS A 37 5.755 -13.018 7.630 1.00 0.00 H new ATOM 0 HE3 LYS A 37 5.052 -12.139 6.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.683 -14.369 5.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 6.613 -13.230 4.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.295 -14.082 6.091 1.00 0.00 H new ATOM 502 N ASP A 38 6.434 -6.101 7.968 1.00 0.00 N ATOM 503 CA ASP A 38 6.010 -5.060 8.889 1.00 0.00 C ATOM 504 C ASP A 38 4.741 -4.395 8.350 1.00 0.00 C ATOM 505 O ASP A 38 3.834 -4.070 9.114 1.00 0.00 O ATOM 506 CB ASP A 38 7.085 -3.981 9.033 1.00 0.00 C ATOM 507 CG ASP A 38 8.301 -4.387 9.867 1.00 0.00 C ATOM 508 OD1 ASP A 38 9.206 -5.019 9.280 1.00 0.00 O ATOM 509 OD2 ASP A 38 8.299 -4.057 11.072 1.00 0.00 O ATOM 0 H ASP A 38 7.396 -6.015 7.641 1.00 0.00 H new ATOM 0 HA ASP A 38 5.830 -5.521 9.860 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.425 -3.693 8.038 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.633 -3.097 9.483 1.00 0.00 H new ATOM 514 N ILE A 39 4.719 -4.213 7.038 1.00 0.00 N ATOM 515 CA ILE A 39 3.577 -3.593 6.388 1.00 0.00 C ATOM 516 C ILE A 39 2.414 -4.587 6.352 1.00 0.00 C ATOM 517 O ILE A 39 1.256 -4.189 6.230 1.00 0.00 O ATOM 518 CB ILE A 39 3.970 -3.057 5.010 1.00 0.00 C ATOM 519 CG1 ILE A 39 5.170 -2.113 5.111 1.00 0.00 C ATOM 520 CG2 ILE A 39 2.777 -2.395 4.318 1.00 0.00 C ATOM 521 CD1 ILE A 39 5.834 -1.922 3.746 1.00 0.00 C ATOM 0 H ILE A 39 5.474 -4.484 6.407 1.00 0.00 H new ATOM 0 HA ILE A 39 3.239 -2.727 6.957 1.00 0.00 H new ATOM 0 HB ILE A 39 4.274 -3.900 4.390 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.846 -1.148 5.500 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.895 -2.515 5.819 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.084 -2.023 3.341 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.977 -3.125 4.193 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.418 -1.565 4.926 1.00 0.00 H new ATOM 0 HD11 ILE A 39 6.684 -1.247 3.846 1.00 0.00 H new ATOM 0 HD12 ILE A 39 6.178 -2.886 3.371 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.113 -1.497 3.047 1.00 0.00 H new ATOM 533 N GLU A 40 2.762 -5.860 6.461 1.00 0.00 N ATOM 534 CA GLU A 40 1.762 -6.914 6.443 1.00 0.00 C ATOM 535 C GLU A 40 1.038 -6.982 7.789 1.00 0.00 C ATOM 536 O GLU A 40 -0.161 -6.719 7.868 1.00 0.00 O ATOM 537 CB GLU A 40 2.393 -8.263 6.091 1.00 0.00 C ATOM 538 CG GLU A 40 1.676 -9.408 6.810 1.00 0.00 C ATOM 539 CD GLU A 40 1.846 -10.724 6.048 1.00 0.00 C ATOM 540 OE1 GLU A 40 3.015 -11.091 5.803 1.00 0.00 O ATOM 541 OE2 GLU A 40 0.802 -11.333 5.729 1.00 0.00 O ATOM 0 H GLU A 40 3.723 -6.186 6.562 1.00 0.00 H new ATOM 0 HA GLU A 40 1.030 -6.680 5.670 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.347 -8.420 5.013 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.447 -8.259 6.368 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.073 -9.514 7.820 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.616 -9.174 6.907 1.00 0.00 H new ATOM 548 N ASP A 41 1.797 -7.337 8.816 1.00 0.00 N ATOM 549 CA ASP A 41 1.243 -7.443 10.155 1.00 0.00 C ATOM 550 C ASP A 41 0.512 -6.145 10.504 1.00 0.00 C ATOM 551 O ASP A 41 -0.504 -6.168 11.196 1.00 0.00 O ATOM 552 CB ASP A 41 2.347 -7.658 11.192 1.00 0.00 C ATOM 553 CG ASP A 41 1.916 -7.455 12.646 1.00 0.00 C ATOM 554 OD1 ASP A 41 1.446 -8.448 13.243 1.00 0.00 O ATOM 555 OD2 ASP A 41 2.067 -6.312 13.129 1.00 0.00 O ATOM 0 H ASP A 41 2.791 -7.555 8.747 1.00 0.00 H new ATOM 0 HA ASP A 41 0.562 -8.294 10.172 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.736 -8.670 11.082 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.168 -6.975 10.973 1.00 0.00 H new ATOM 560 N VAL A 42 1.058 -5.044 10.009 1.00 0.00 N ATOM 561 CA VAL A 42 0.471 -3.739 10.260 1.00 0.00 C ATOM 562 C VAL A 42 -1.020 -3.783 9.921 1.00 0.00 C ATOM 563 O VAL A 42 -1.865 -3.594 10.795 1.00 0.00 O ATOM 564 CB VAL A 42 1.230 -2.665 9.479 1.00 0.00 C ATOM 565 CG1 VAL A 42 0.314 -1.491 9.129 1.00 0.00 C ATOM 566 CG2 VAL A 42 2.459 -2.188 10.256 1.00 0.00 C ATOM 0 H VAL A 42 1.901 -5.029 9.435 1.00 0.00 H new ATOM 0 HA VAL A 42 0.558 -3.477 11.314 1.00 0.00 H new ATOM 0 HB VAL A 42 1.575 -3.111 8.546 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.879 -0.742 8.574 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.516 -1.846 8.518 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.075 -1.047 10.045 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.981 -1.425 9.679 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.145 -1.769 11.212 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.128 -3.030 10.432 1.00 0.00 H new ATOM 576 N PHE A 43 -1.299 -4.032 8.650 1.00 0.00 N ATOM 577 CA PHE A 43 -2.674 -4.102 8.185 1.00 0.00 C ATOM 578 C PHE A 43 -3.371 -5.354 8.722 1.00 0.00 C ATOM 579 O PHE A 43 -4.573 -5.336 8.982 1.00 0.00 O ATOM 580 CB PHE A 43 -2.626 -4.176 6.658 1.00 0.00 C ATOM 581 CG PHE A 43 -2.453 -2.817 5.975 1.00 0.00 C ATOM 582 CD1 PHE A 43 -1.230 -2.224 5.940 1.00 0.00 C ATOM 583 CD2 PHE A 43 -3.523 -2.203 5.402 1.00 0.00 C ATOM 584 CE1 PHE A 43 -1.070 -0.964 5.306 1.00 0.00 C ATOM 585 CE2 PHE A 43 -3.363 -0.943 4.768 1.00 0.00 C ATOM 586 CZ PHE A 43 -2.140 -0.350 4.734 1.00 0.00 C ATOM 0 H PHE A 43 -0.596 -4.188 7.927 1.00 0.00 H new ATOM 0 HA PHE A 43 -3.229 -3.231 8.533 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.804 -4.828 6.362 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.545 -4.638 6.298 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.380 -2.712 6.395 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.494 -2.674 5.429 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.098 -0.493 5.278 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.212 -0.456 4.313 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.018 0.609 4.253 1.00 0.00 H new ATOM 596 N TYR A 44 -2.586 -6.411 8.873 1.00 0.00 N ATOM 597 CA TYR A 44 -3.113 -7.669 9.375 1.00 0.00 C ATOM 598 C TYR A 44 -3.974 -7.445 10.620 1.00 0.00 C ATOM 599 O TYR A 44 -4.832 -8.265 10.941 1.00 0.00 O ATOM 600 CB TYR A 44 -1.896 -8.514 9.756 1.00 0.00 C ATOM 601 CG TYR A 44 -2.177 -10.016 9.820 1.00 0.00 C ATOM 602 CD1 TYR A 44 -2.247 -10.755 8.656 1.00 0.00 C ATOM 603 CD2 TYR A 44 -2.360 -10.632 11.041 1.00 0.00 C ATOM 604 CE1 TYR A 44 -2.511 -12.170 8.717 1.00 0.00 C ATOM 605 CE2 TYR A 44 -2.625 -12.047 11.101 1.00 0.00 C ATOM 606 CZ TYR A 44 -2.687 -12.745 9.936 1.00 0.00 C ATOM 607 OH TYR A 44 -2.937 -14.081 9.993 1.00 0.00 O ATOM 0 H TYR A 44 -1.589 -6.422 8.657 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.737 -8.151 8.623 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.101 -8.334 9.033 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.526 -8.182 10.726 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.104 -10.273 7.700 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.305 -10.054 11.951 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.568 -12.761 7.815 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.771 -12.542 12.050 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.040 -14.355 10.928 1.00 0.00 H new ATOM 617 N LYS A 45 -3.714 -6.330 11.287 1.00 0.00 N ATOM 618 CA LYS A 45 -4.454 -5.988 12.490 1.00 0.00 C ATOM 619 C LYS A 45 -5.940 -5.856 12.149 1.00 0.00 C ATOM 620 O LYS A 45 -6.790 -5.887 13.038 1.00 0.00 O ATOM 621 CB LYS A 45 -3.861 -4.740 13.147 1.00 0.00 C ATOM 622 CG LYS A 45 -4.607 -3.480 12.704 1.00 0.00 C ATOM 623 CD LYS A 45 -5.757 -3.158 13.659 1.00 0.00 C ATOM 624 CE LYS A 45 -5.312 -2.173 14.742 1.00 0.00 C ATOM 625 NZ LYS A 45 -6.379 -1.996 15.752 1.00 0.00 N ATOM 0 H LYS A 45 -3.001 -5.652 11.017 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.366 -6.783 13.231 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.914 -4.836 14.232 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.806 -4.653 12.886 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.915 -2.638 12.666 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.996 -3.619 11.695 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.592 -2.736 13.099 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.117 -4.076 14.123 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.405 -2.538 15.223 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.068 -1.212 14.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.060 -1.325 16.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.235 -1.627 15.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.592 -2.912 16.196 1.00 0.00 H new ATOM 639 N TYR A 46 -6.208 -5.713 10.859 1.00 0.00 N ATOM 640 CA TYR A 46 -7.576 -5.576 10.390 1.00 0.00 C ATOM 641 C TYR A 46 -8.138 -6.926 9.937 1.00 0.00 C ATOM 642 O TYR A 46 -9.186 -7.358 10.414 1.00 0.00 O ATOM 643 CB TYR A 46 -7.518 -4.633 9.187 1.00 0.00 C ATOM 644 CG TYR A 46 -7.366 -3.157 9.561 1.00 0.00 C ATOM 645 CD1 TYR A 46 -6.112 -2.629 9.796 1.00 0.00 C ATOM 646 CD2 TYR A 46 -8.483 -2.353 9.665 1.00 0.00 C ATOM 647 CE1 TYR A 46 -5.970 -1.240 10.148 1.00 0.00 C ATOM 648 CE2 TYR A 46 -8.341 -0.964 10.017 1.00 0.00 C ATOM 649 CZ TYR A 46 -7.091 -0.476 10.241 1.00 0.00 C ATOM 650 OH TYR A 46 -6.956 0.836 10.574 1.00 0.00 O ATOM 0 H TYR A 46 -5.501 -5.689 10.124 1.00 0.00 H new ATOM 0 HA TYR A 46 -8.218 -5.199 11.186 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -6.683 -4.924 8.550 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -8.426 -4.756 8.597 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.238 -3.258 9.716 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -9.464 -2.766 9.482 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -4.995 -0.815 10.334 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -9.207 -0.324 10.101 1.00 0.00 H new ATOM 0 HH TYR A 46 -7.840 1.259 10.602 1.00 0.00 H new ATOM 660 N GLY A 47 -7.415 -7.554 9.021 1.00 0.00 N ATOM 661 CA GLY A 47 -7.828 -8.845 8.499 1.00 0.00 C ATOM 662 C GLY A 47 -6.618 -9.669 8.053 1.00 0.00 C ATOM 663 O GLY A 47 -5.646 -9.803 8.795 1.00 0.00 O ATOM 0 H GLY A 47 -6.546 -7.193 8.627 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.382 -9.390 9.263 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.505 -8.701 7.657 1.00 0.00 H new ATOM 667 N ALA A 48 -6.716 -10.198 6.842 1.00 0.00 N ATOM 668 CA ALA A 48 -5.642 -11.004 6.288 1.00 0.00 C ATOM 669 C ALA A 48 -5.146 -10.364 4.990 1.00 0.00 C ATOM 670 O ALA A 48 -5.795 -9.471 4.447 1.00 0.00 O ATOM 671 CB ALA A 48 -6.135 -12.438 6.080 1.00 0.00 C ATOM 0 H ALA A 48 -7.523 -10.084 6.229 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.799 -11.046 6.978 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.329 -13.043 5.664 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.448 -12.858 7.036 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -6.980 -12.436 5.391 1.00 0.00 H new ATOM 677 N ILE A 49 -4.001 -10.844 4.530 1.00 0.00 N ATOM 678 CA ILE A 49 -3.410 -10.330 3.306 1.00 0.00 C ATOM 679 C ILE A 49 -3.260 -11.471 2.299 1.00 0.00 C ATOM 680 O ILE A 49 -3.123 -12.631 2.685 1.00 0.00 O ATOM 681 CB ILE A 49 -2.100 -9.600 3.609 1.00 0.00 C ATOM 682 CG1 ILE A 49 -2.359 -8.307 4.384 1.00 0.00 C ATOM 683 CG2 ILE A 49 -1.303 -9.350 2.327 1.00 0.00 C ATOM 684 CD1 ILE A 49 -1.076 -7.796 5.042 1.00 0.00 C ATOM 0 H ILE A 49 -3.466 -11.584 4.983 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.064 -9.587 2.850 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.492 -10.241 4.247 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.753 -7.547 3.709 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.118 -8.482 5.146 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.376 -8.830 2.570 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.070 -10.303 1.852 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.894 -8.739 1.645 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.288 -6.876 5.586 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.698 -8.548 5.734 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.327 -7.599 4.275 1.00 0.00 H new ATOM 696 N ARG A 50 -3.292 -11.102 1.026 1.00 0.00 N ATOM 697 CA ARG A 50 -3.161 -12.081 -0.040 1.00 0.00 C ATOM 698 C ARG A 50 -1.760 -12.015 -0.652 1.00 0.00 C ATOM 699 O ARG A 50 -1.163 -13.046 -0.957 1.00 0.00 O ATOM 700 CB ARG A 50 -4.201 -11.843 -1.136 1.00 0.00 C ATOM 701 CG ARG A 50 -3.925 -12.726 -2.355 1.00 0.00 C ATOM 702 CD ARG A 50 -5.230 -13.217 -2.984 1.00 0.00 C ATOM 703 NE ARG A 50 -5.256 -14.697 -3.004 1.00 0.00 N ATOM 704 CZ ARG A 50 -6.229 -15.424 -3.571 1.00 0.00 C ATOM 705 NH1 ARG A 50 -7.261 -14.812 -4.167 1.00 0.00 N ATOM 706 NH2 ARG A 50 -6.170 -16.762 -3.541 1.00 0.00 N ATOM 0 H ARG A 50 -3.407 -10.139 0.709 1.00 0.00 H new ATOM 0 HA ARG A 50 -3.325 -13.068 0.393 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.198 -12.053 -0.748 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.189 -10.794 -1.432 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.351 -12.165 -3.092 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.316 -13.580 -2.059 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -6.081 -12.838 -2.419 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.323 -12.830 -3.999 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.485 -15.195 -2.558 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -7.306 -13.793 -4.189 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -8.002 -15.365 -4.599 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.385 -17.228 -3.087 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -6.911 -17.315 -3.973 1.00 0.00 H new ATOM 720 N ASP A 51 -1.278 -10.791 -0.814 1.00 0.00 N ATOM 721 CA ASP A 51 0.041 -10.577 -1.385 1.00 0.00 C ATOM 722 C ASP A 51 0.412 -9.098 -1.261 1.00 0.00 C ATOM 723 O ASP A 51 -0.466 -8.238 -1.198 1.00 0.00 O ATOM 724 CB ASP A 51 0.067 -10.948 -2.869 1.00 0.00 C ATOM 725 CG ASP A 51 1.463 -11.046 -3.487 1.00 0.00 C ATOM 726 OD1 ASP A 51 2.060 -12.137 -3.371 1.00 0.00 O ATOM 727 OD2 ASP A 51 1.900 -10.026 -4.063 1.00 0.00 O ATOM 0 H ASP A 51 -1.777 -9.938 -0.560 1.00 0.00 H new ATOM 0 HA ASP A 51 0.748 -11.206 -0.844 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.439 -11.905 -2.998 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.508 -10.206 -3.424 1.00 0.00 H new ATOM 732 N ILE A 52 1.712 -8.847 -1.230 1.00 0.00 N ATOM 733 CA ILE A 52 2.209 -7.486 -1.115 1.00 0.00 C ATOM 734 C ILE A 52 3.251 -7.235 -2.207 1.00 0.00 C ATOM 735 O ILE A 52 4.251 -7.946 -2.291 1.00 0.00 O ATOM 736 CB ILE A 52 2.726 -7.222 0.301 1.00 0.00 C ATOM 737 CG1 ILE A 52 1.610 -7.398 1.333 1.00 0.00 C ATOM 738 CG2 ILE A 52 3.384 -5.844 0.397 1.00 0.00 C ATOM 739 CD1 ILE A 52 2.182 -7.799 2.695 1.00 0.00 C ATOM 0 H ILE A 52 2.437 -9.563 -1.282 1.00 0.00 H new ATOM 0 HA ILE A 52 1.402 -6.771 -1.273 1.00 0.00 H new ATOM 0 HB ILE A 52 3.494 -7.961 0.528 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.049 -6.469 1.429 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.909 -8.159 0.990 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.743 -5.682 1.414 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.223 -5.793 -0.296 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.655 -5.074 0.142 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.368 -7.918 3.411 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.722 -8.741 2.600 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.864 -7.024 3.046 1.00 0.00 H new ATOM 751 N ASP A 53 2.982 -6.220 -3.015 1.00 0.00 N ATOM 752 CA ASP A 53 3.883 -5.866 -4.098 1.00 0.00 C ATOM 753 C ASP A 53 4.629 -4.580 -3.734 1.00 0.00 C ATOM 754 O ASP A 53 4.033 -3.505 -3.687 1.00 0.00 O ATOM 755 CB ASP A 53 3.114 -5.615 -5.396 1.00 0.00 C ATOM 756 CG ASP A 53 3.891 -5.919 -6.678 1.00 0.00 C ATOM 757 OD1 ASP A 53 4.078 -7.123 -6.956 1.00 0.00 O ATOM 758 OD2 ASP A 53 4.281 -4.941 -7.351 1.00 0.00 O ATOM 0 H ASP A 53 2.152 -5.631 -2.941 1.00 0.00 H new ATOM 0 HA ASP A 53 4.576 -6.695 -4.245 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.208 -6.220 -5.386 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.800 -4.571 -5.418 1.00 0.00 H new ATOM 763 N LEU A 54 5.922 -4.733 -3.487 1.00 0.00 N ATOM 764 CA LEU A 54 6.755 -3.598 -3.129 1.00 0.00 C ATOM 765 C LEU A 54 7.745 -3.320 -4.263 1.00 0.00 C ATOM 766 O LEU A 54 8.510 -4.201 -4.653 1.00 0.00 O ATOM 767 CB LEU A 54 7.423 -3.830 -1.773 1.00 0.00 C ATOM 768 CG LEU A 54 8.575 -2.886 -1.422 1.00 0.00 C ATOM 769 CD1 LEU A 54 8.080 -1.697 -0.597 1.00 0.00 C ATOM 770 CD2 LEU A 54 9.706 -3.640 -0.719 1.00 0.00 C ATOM 0 H LEU A 54 6.413 -5.626 -3.528 1.00 0.00 H new ATOM 0 HA LEU A 54 6.147 -2.702 -3.009 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.662 -3.747 -0.997 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.797 -4.853 -1.745 1.00 0.00 H new ATOM 0 HG LEU A 54 8.982 -2.485 -2.350 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.919 -1.043 -0.362 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.336 -1.142 -1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.631 -2.058 0.328 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.512 -2.946 -0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.328 -4.088 0.200 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.084 -4.424 -1.376 1.00 0.00 H new ATOM 782 N LYS A 55 7.698 -2.093 -4.759 1.00 0.00 N ATOM 783 CA LYS A 55 8.581 -1.688 -5.840 1.00 0.00 C ATOM 784 C LYS A 55 9.951 -1.325 -5.264 1.00 0.00 C ATOM 785 O LYS A 55 10.953 -1.961 -5.588 1.00 0.00 O ATOM 786 CB LYS A 55 7.943 -0.567 -6.662 1.00 0.00 C ATOM 787 CG LYS A 55 6.932 -1.129 -7.664 1.00 0.00 C ATOM 788 CD LYS A 55 7.338 -0.793 -9.100 1.00 0.00 C ATOM 789 CE LYS A 55 6.107 -0.613 -9.990 1.00 0.00 C ATOM 790 NZ LYS A 55 6.478 -0.736 -11.418 1.00 0.00 N ATOM 0 H LYS A 55 7.062 -1.365 -4.432 1.00 0.00 H new ATOM 0 HA LYS A 55 8.735 -2.513 -6.535 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.447 0.139 -5.997 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.718 -0.014 -7.193 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.861 -2.210 -7.546 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.943 -0.720 -7.457 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.934 0.119 -9.109 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.967 -1.589 -9.500 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.356 -1.361 -9.737 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.658 0.363 -9.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.631 -0.611 -12.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.179 -0.006 -11.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.885 -1.677 -11.591 1.00 0.00 H new ATOM 880 N PRO A 61 9.816 7.984 -2.552 1.00 0.00 N ATOM 881 CA PRO A 61 9.924 7.014 -1.475 1.00 0.00 C ATOM 882 C PRO A 61 9.498 5.622 -1.947 1.00 0.00 C ATOM 883 O PRO A 61 8.988 5.468 -3.055 1.00 0.00 O ATOM 884 CB PRO A 61 9.042 7.560 -0.364 1.00 0.00 C ATOM 885 CG PRO A 61 8.114 8.566 -1.025 1.00 0.00 C ATOM 886 CD PRO A 61 8.665 8.870 -2.409 1.00 0.00 C ATOM 0 HA PRO A 61 10.948 6.886 -1.125 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.475 6.761 0.113 1.00 0.00 H new ATOM 0 HB3 PRO A 61 9.641 8.034 0.413 1.00 0.00 H new ATOM 0 HG2 PRO A 61 7.104 8.164 -1.096 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.053 9.477 -0.430 1.00 0.00 H new ATOM 0 HD2 PRO A 61 7.921 8.680 -3.182 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.957 9.916 -2.498 1.00 0.00 H new ATOM 894 N PRO A 62 9.729 4.619 -1.059 1.00 0.00 N ATOM 895 CA PRO A 62 9.375 3.245 -1.372 1.00 0.00 C ATOM 896 C PRO A 62 7.863 3.032 -1.273 1.00 0.00 C ATOM 897 O PRO A 62 7.257 3.329 -0.244 1.00 0.00 O ATOM 898 CB PRO A 62 10.161 2.400 -0.383 1.00 0.00 C ATOM 899 CG PRO A 62 10.561 3.341 0.743 1.00 0.00 C ATOM 900 CD PRO A 62 10.331 4.765 0.263 1.00 0.00 C ATOM 0 HA PRO A 62 9.625 2.969 -2.396 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.556 1.575 -0.006 1.00 0.00 H new ATOM 0 HB3 PRO A 62 11.039 1.961 -0.856 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.971 3.139 1.637 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.607 3.193 1.011 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.672 5.309 0.940 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.267 5.322 0.213 1.00 0.00 H new ATOM 908 N PHE A 63 7.297 2.519 -2.355 1.00 0.00 N ATOM 909 CA PHE A 63 5.868 2.263 -2.403 1.00 0.00 C ATOM 910 C PHE A 63 5.585 0.783 -2.668 1.00 0.00 C ATOM 911 O PHE A 63 6.434 0.071 -3.203 1.00 0.00 O ATOM 912 CB PHE A 63 5.303 3.093 -3.557 1.00 0.00 C ATOM 913 CG PHE A 63 5.955 2.803 -4.910 1.00 0.00 C ATOM 914 CD1 PHE A 63 7.204 3.271 -5.177 1.00 0.00 C ATOM 915 CD2 PHE A 63 5.287 2.077 -5.846 1.00 0.00 C ATOM 916 CE1 PHE A 63 7.810 3.002 -6.433 1.00 0.00 C ATOM 917 CE2 PHE A 63 5.893 1.808 -7.102 1.00 0.00 C ATOM 918 CZ PHE A 63 7.141 2.276 -7.369 1.00 0.00 C ATOM 0 H PHE A 63 7.803 2.273 -3.206 1.00 0.00 H new ATOM 0 HA PHE A 63 5.410 2.528 -1.450 1.00 0.00 H new ATOM 0 HB2 PHE A 63 4.232 2.907 -3.634 1.00 0.00 H new ATOM 0 HB3 PHE A 63 5.427 4.151 -3.325 1.00 0.00 H new ATOM 0 HD1 PHE A 63 7.735 3.847 -4.434 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.295 1.705 -5.634 1.00 0.00 H new ATOM 0 HE1 PHE A 63 8.802 3.374 -6.645 1.00 0.00 H new ATOM 0 HE2 PHE A 63 5.362 1.231 -7.845 1.00 0.00 H new ATOM 0 HZ PHE A 63 7.601 2.071 -8.324 1.00 0.00 H new ATOM 928 N ALA A 64 4.389 0.364 -2.282 1.00 0.00 N ATOM 929 CA ALA A 64 3.983 -1.018 -2.472 1.00 0.00 C ATOM 930 C ALA A 64 2.455 -1.098 -2.499 1.00 0.00 C ATOM 931 O ALA A 64 1.774 -0.191 -2.022 1.00 0.00 O ATOM 932 CB ALA A 64 4.592 -1.885 -1.368 1.00 0.00 C ATOM 0 H ALA A 64 3.688 0.957 -1.838 1.00 0.00 H new ATOM 0 HA ALA A 64 4.350 -1.398 -3.426 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.288 -2.922 -1.510 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.679 -1.817 -1.410 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.244 -1.535 -0.396 1.00 0.00 H new ATOM 938 N PHE A 65 1.961 -2.191 -3.061 1.00 0.00 N ATOM 939 CA PHE A 65 0.527 -2.401 -3.157 1.00 0.00 C ATOM 940 C PHE A 65 0.104 -3.655 -2.390 1.00 0.00 C ATOM 941 O PHE A 65 0.573 -4.754 -2.683 1.00 0.00 O ATOM 942 CB PHE A 65 0.200 -2.589 -4.640 1.00 0.00 C ATOM 943 CG PHE A 65 0.333 -1.313 -5.473 1.00 0.00 C ATOM 944 CD1 PHE A 65 1.563 -0.874 -5.852 1.00 0.00 C ATOM 945 CD2 PHE A 65 -0.779 -0.618 -5.835 1.00 0.00 C ATOM 946 CE1 PHE A 65 1.686 0.311 -6.626 1.00 0.00 C ATOM 947 CE2 PHE A 65 -0.655 0.566 -6.609 1.00 0.00 C ATOM 948 CZ PHE A 65 0.575 1.006 -6.988 1.00 0.00 C ATOM 0 H PHE A 65 2.529 -2.941 -3.455 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.003 -1.550 -2.729 1.00 0.00 H new ATOM 0 HB2 PHE A 65 0.861 -3.351 -5.053 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.819 -2.966 -4.732 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.446 -1.426 -5.565 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -1.756 -0.967 -5.534 1.00 0.00 H new ATOM 0 HE1 PHE A 65 2.663 0.660 -6.927 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.538 1.117 -6.897 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.669 1.907 -7.576 1.00 0.00 H new ATOM 958 N VAL A 66 -0.778 -3.450 -1.423 1.00 0.00 N ATOM 959 CA VAL A 66 -1.269 -4.551 -0.612 1.00 0.00 C ATOM 960 C VAL A 66 -2.568 -5.086 -1.219 1.00 0.00 C ATOM 961 O VAL A 66 -3.430 -4.311 -1.631 1.00 0.00 O ATOM 962 CB VAL A 66 -1.431 -4.099 0.841 1.00 0.00 C ATOM 963 CG1 VAL A 66 -1.828 -5.272 1.739 1.00 0.00 C ATOM 964 CG2 VAL A 66 -0.155 -3.426 1.351 1.00 0.00 C ATOM 0 H VAL A 66 -1.165 -2.538 -1.183 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.551 -5.371 -0.606 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.235 -3.364 0.875 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.937 -4.923 2.766 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.775 -5.689 1.395 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.056 -6.040 1.696 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.297 -3.114 2.386 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.675 -4.130 1.295 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.067 -2.554 0.736 1.00 0.00 H new ATOM 974 N GLU A 67 -2.666 -6.406 -1.255 1.00 0.00 N ATOM 975 CA GLU A 67 -3.845 -7.054 -1.805 1.00 0.00 C ATOM 976 C GLU A 67 -4.636 -7.749 -0.695 1.00 0.00 C ATOM 977 O GLU A 67 -4.194 -8.761 -0.153 1.00 0.00 O ATOM 978 CB GLU A 67 -3.463 -8.044 -2.907 1.00 0.00 C ATOM 979 CG GLU A 67 -4.638 -8.290 -3.856 1.00 0.00 C ATOM 980 CD GLU A 67 -4.194 -8.192 -5.316 1.00 0.00 C ATOM 981 OE1 GLU A 67 -3.376 -7.291 -5.602 1.00 0.00 O ATOM 982 OE2 GLU A 67 -4.682 -9.021 -6.115 1.00 0.00 O ATOM 0 H GLU A 67 -1.949 -7.045 -0.912 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.480 -6.289 -2.253 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.612 -7.658 -3.469 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.148 -8.987 -2.460 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.062 -9.276 -3.667 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.425 -7.562 -3.662 1.00 0.00 H new ATOM 989 N PHE A 68 -5.792 -7.177 -0.389 1.00 0.00 N ATOM 990 CA PHE A 68 -6.648 -7.729 0.647 1.00 0.00 C ATOM 991 C PHE A 68 -7.597 -8.782 0.072 1.00 0.00 C ATOM 992 O PHE A 68 -7.884 -8.776 -1.124 1.00 0.00 O ATOM 993 CB PHE A 68 -7.473 -6.569 1.210 1.00 0.00 C ATOM 994 CG PHE A 68 -6.899 -5.960 2.490 1.00 0.00 C ATOM 995 CD1 PHE A 68 -7.059 -6.601 3.679 1.00 0.00 C ATOM 996 CD2 PHE A 68 -6.227 -4.778 2.440 1.00 0.00 C ATOM 997 CE1 PHE A 68 -6.526 -6.036 4.868 1.00 0.00 C ATOM 998 CE2 PHE A 68 -5.694 -4.213 3.628 1.00 0.00 C ATOM 999 CZ PHE A 68 -5.855 -4.854 4.817 1.00 0.00 C ATOM 0 H PHE A 68 -6.155 -6.337 -0.840 1.00 0.00 H new ATOM 0 HA PHE A 68 -6.041 -8.208 1.415 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.549 -5.790 0.452 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -8.485 -6.920 1.409 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.591 -7.540 3.719 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.099 -4.269 1.496 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.653 -6.545 5.812 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.161 -3.275 3.588 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.450 -4.424 5.721 1.00 0.00 H new ATOM 1009 N GLU A 69 -8.057 -9.661 0.950 1.00 0.00 N ATOM 1010 CA GLU A 69 -8.967 -10.718 0.544 1.00 0.00 C ATOM 1011 C GLU A 69 -10.360 -10.145 0.275 1.00 0.00 C ATOM 1012 O GLU A 69 -11.037 -10.564 -0.663 1.00 0.00 O ATOM 1013 CB GLU A 69 -9.024 -11.827 1.597 1.00 0.00 C ATOM 1014 CG GLU A 69 -7.735 -12.650 1.597 1.00 0.00 C ATOM 1015 CD GLU A 69 -7.646 -13.530 0.349 1.00 0.00 C ATOM 1016 OE1 GLU A 69 -8.716 -14.009 -0.085 1.00 0.00 O ATOM 1017 OE2 GLU A 69 -6.510 -13.704 -0.143 1.00 0.00 O ATOM 0 H GLU A 69 -7.816 -9.663 1.941 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.592 -11.158 -0.380 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.180 -11.389 2.583 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.875 -12.478 1.399 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.874 -11.983 1.638 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.698 -13.274 2.490 1.00 0.00 H new ATOM 1024 N ASP A 70 -10.746 -9.195 1.114 1.00 0.00 N ATOM 1025 CA ASP A 70 -12.046 -8.560 0.978 1.00 0.00 C ATOM 1026 C ASP A 70 -11.857 -7.052 0.804 1.00 0.00 C ATOM 1027 O ASP A 70 -10.875 -6.487 1.283 1.00 0.00 O ATOM 1028 CB ASP A 70 -12.903 -8.788 2.225 1.00 0.00 C ATOM 1029 CG ASP A 70 -13.800 -10.027 2.175 1.00 0.00 C ATOM 1030 OD1 ASP A 70 -13.237 -11.139 2.263 1.00 0.00 O ATOM 1031 OD2 ASP A 70 -15.029 -9.833 2.051 1.00 0.00 O ATOM 0 H ASP A 70 -10.182 -8.850 1.890 1.00 0.00 H new ATOM 0 HA ASP A 70 -12.545 -8.996 0.112 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -12.245 -8.869 3.090 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -13.530 -7.910 2.382 1.00 0.00 H new ATOM 1036 N PRO A 71 -12.837 -6.427 0.098 1.00 0.00 N ATOM 1037 CA PRO A 71 -12.788 -4.995 -0.145 1.00 0.00 C ATOM 1038 C PRO A 71 -13.150 -4.212 1.118 1.00 0.00 C ATOM 1039 O PRO A 71 -12.465 -3.255 1.477 1.00 0.00 O ATOM 1040 CB PRO A 71 -13.759 -4.757 -1.290 1.00 0.00 C ATOM 1041 CG PRO A 71 -14.658 -5.982 -1.336 1.00 0.00 C ATOM 1042 CD PRO A 71 -14.015 -7.065 -0.484 1.00 0.00 C ATOM 0 HA PRO A 71 -11.789 -4.647 -0.408 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -14.342 -3.851 -1.126 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -13.227 -4.627 -2.233 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -15.652 -5.740 -0.960 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -14.781 -6.327 -2.363 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -14.697 -7.418 0.289 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -13.740 -7.931 -1.086 1.00 0.00 H new ATOM 1050 N ARG A 72 -14.225 -4.647 1.758 1.00 0.00 N ATOM 1051 CA ARG A 72 -14.686 -3.998 2.974 1.00 0.00 C ATOM 1052 C ARG A 72 -13.495 -3.598 3.846 1.00 0.00 C ATOM 1053 O ARG A 72 -13.404 -2.455 4.292 1.00 0.00 O ATOM 1054 CB ARG A 72 -15.609 -4.920 3.775 1.00 0.00 C ATOM 1055 CG ARG A 72 -16.867 -5.265 2.975 1.00 0.00 C ATOM 1056 CD ARG A 72 -17.995 -5.726 3.900 1.00 0.00 C ATOM 1057 NE ARG A 72 -19.097 -6.310 3.103 1.00 0.00 N ATOM 1058 CZ ARG A 72 -19.069 -7.539 2.570 1.00 0.00 C ATOM 1059 NH1 ARG A 72 -17.996 -8.321 2.747 1.00 0.00 N ATOM 1060 NH2 ARG A 72 -20.114 -7.986 1.861 1.00 0.00 N ATOM 0 H ARG A 72 -14.790 -5.441 1.458 1.00 0.00 H new ATOM 0 HA ARG A 72 -15.244 -3.108 2.684 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -15.077 -5.835 4.036 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -15.890 -4.436 4.711 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -17.191 -4.393 2.406 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -16.640 -6.050 2.253 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -17.617 -6.463 4.608 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -18.365 -4.883 4.484 1.00 0.00 H new ATOM 0 HE ARG A 72 -19.930 -5.741 2.950 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -17.201 -7.981 3.287 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -17.974 -9.257 2.341 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -20.931 -7.391 1.727 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -20.092 -8.922 1.455 1.00 0.00 H new ATOM 1074 N ASP A 73 -12.611 -4.561 4.064 1.00 0.00 N ATOM 1075 CA ASP A 73 -11.430 -4.322 4.875 1.00 0.00 C ATOM 1076 C ASP A 73 -10.450 -3.442 4.096 1.00 0.00 C ATOM 1077 O ASP A 73 -10.008 -2.408 4.594 1.00 0.00 O ATOM 1078 CB ASP A 73 -10.720 -5.635 5.213 1.00 0.00 C ATOM 1079 CG ASP A 73 -11.539 -6.615 6.055 1.00 0.00 C ATOM 1080 OD1 ASP A 73 -12.468 -6.136 6.740 1.00 0.00 O ATOM 1081 OD2 ASP A 73 -11.218 -7.822 5.994 1.00 0.00 O ATOM 0 H ASP A 73 -12.689 -5.508 3.693 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.747 -3.835 5.797 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -10.437 -6.127 4.283 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.797 -5.405 5.746 1.00 0.00 H new ATOM 1086 N ALA A 74 -10.141 -3.884 2.886 1.00 0.00 N ATOM 1087 CA ALA A 74 -9.222 -3.150 2.033 1.00 0.00 C ATOM 1088 C ALA A 74 -9.559 -1.659 2.093 1.00 0.00 C ATOM 1089 O ALA A 74 -8.678 -0.813 1.946 1.00 0.00 O ATOM 1090 CB ALA A 74 -9.291 -3.706 0.610 1.00 0.00 C ATOM 0 H ALA A 74 -10.511 -4.742 2.476 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.196 -3.271 2.381 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.601 -3.155 -0.030 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.015 -4.760 0.618 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.306 -3.599 0.226 1.00 0.00 H new ATOM 1096 N GLU A 75 -10.836 -1.381 2.310 1.00 0.00 N ATOM 1097 CA GLU A 75 -11.301 -0.007 2.391 1.00 0.00 C ATOM 1098 C GLU A 75 -11.058 0.553 3.794 1.00 0.00 C ATOM 1099 O GLU A 75 -10.268 1.480 3.968 1.00 0.00 O ATOM 1100 CB GLU A 75 -12.778 0.096 2.008 1.00 0.00 C ATOM 1101 CG GLU A 75 -13.019 -0.451 0.599 1.00 0.00 C ATOM 1102 CD GLU A 75 -13.977 0.449 -0.183 1.00 0.00 C ATOM 1103 OE1 GLU A 75 -13.697 1.666 -0.235 1.00 0.00 O ATOM 1104 OE2 GLU A 75 -14.968 -0.100 -0.711 1.00 0.00 O ATOM 0 H GLU A 75 -11.564 -2.085 2.432 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.733 0.591 1.678 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -13.383 -0.458 2.726 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -13.098 1.137 2.058 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -12.070 -0.527 0.067 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -13.431 -1.458 0.662 1.00 0.00 H new ATOM 1111 N ASP A 76 -11.751 -0.033 4.759 1.00 0.00 N ATOM 1112 CA ASP A 76 -11.621 0.396 6.141 1.00 0.00 C ATOM 1113 C ASP A 76 -10.153 0.709 6.437 1.00 0.00 C ATOM 1114 O ASP A 76 -9.850 1.656 7.161 1.00 0.00 O ATOM 1115 CB ASP A 76 -12.074 -0.703 7.104 1.00 0.00 C ATOM 1116 CG ASP A 76 -13.587 -0.799 7.310 1.00 0.00 C ATOM 1117 OD1 ASP A 76 -14.279 0.149 6.881 1.00 0.00 O ATOM 1118 OD2 ASP A 76 -14.016 -1.819 7.892 1.00 0.00 O ATOM 0 H ASP A 76 -12.405 -0.802 4.611 1.00 0.00 H new ATOM 0 HA ASP A 76 -12.246 1.278 6.281 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.711 -1.662 6.734 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -11.601 -0.535 8.071 1.00 0.00 H new ATOM 1123 N ALA A 77 -9.280 -0.105 5.861 1.00 0.00 N ATOM 1124 CA ALA A 77 -7.851 0.073 6.054 1.00 0.00 C ATOM 1125 C ALA A 77 -7.404 1.364 5.365 1.00 0.00 C ATOM 1126 O ALA A 77 -6.937 2.293 6.022 1.00 0.00 O ATOM 1127 CB ALA A 77 -7.107 -1.156 5.528 1.00 0.00 C ATOM 0 H ALA A 77 -9.535 -0.889 5.261 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.616 0.167 7.114 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.035 -1.022 5.673 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.439 -2.042 6.070 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.317 -1.281 4.466 1.00 0.00 H new ATOM 1133 N VAL A 78 -7.564 1.380 4.050 1.00 0.00 N ATOM 1134 CA VAL A 78 -7.183 2.542 3.264 1.00 0.00 C ATOM 1135 C VAL A 78 -7.845 3.789 3.852 1.00 0.00 C ATOM 1136 O VAL A 78 -7.317 4.893 3.729 1.00 0.00 O ATOM 1137 CB VAL A 78 -7.534 2.316 1.792 1.00 0.00 C ATOM 1138 CG1 VAL A 78 -8.941 2.829 1.479 1.00 0.00 C ATOM 1139 CG2 VAL A 78 -6.496 2.966 0.875 1.00 0.00 C ATOM 0 H VAL A 78 -7.952 0.607 3.509 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.105 2.696 3.307 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.520 1.242 1.605 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -9.165 2.656 0.426 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.667 2.300 2.096 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -8.994 3.897 1.691 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.769 2.791 -0.166 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.463 4.039 1.066 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.515 2.532 1.071 1.00 0.00 H new ATOM 1149 N TYR A 79 -8.992 3.572 4.479 1.00 0.00 N ATOM 1150 CA TYR A 79 -9.732 4.665 5.086 1.00 0.00 C ATOM 1151 C TYR A 79 -9.155 5.023 6.457 1.00 0.00 C ATOM 1152 O TYR A 79 -9.185 6.184 6.863 1.00 0.00 O ATOM 1153 CB TYR A 79 -11.164 4.156 5.266 1.00 0.00 C ATOM 1154 CG TYR A 79 -12.162 4.738 4.263 1.00 0.00 C ATOM 1155 CD1 TYR A 79 -11.905 4.659 2.909 1.00 0.00 C ATOM 1156 CD2 TYR A 79 -13.319 5.341 4.711 1.00 0.00 C ATOM 1157 CE1 TYR A 79 -12.844 5.207 1.965 1.00 0.00 C ATOM 1158 CE2 TYR A 79 -14.259 5.888 3.767 1.00 0.00 C ATOM 1159 CZ TYR A 79 -13.975 5.794 2.441 1.00 0.00 C ATOM 1160 OH TYR A 79 -14.862 6.312 1.549 1.00 0.00 O ATOM 0 H TYR A 79 -9.427 2.655 4.580 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.680 5.557 4.461 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -11.166 3.070 5.177 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -11.499 4.394 6.276 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -11.000 4.186 2.558 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -13.520 5.403 5.770 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -12.655 5.153 0.903 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -15.169 6.362 4.105 1.00 0.00 H new ATOM 0 HH TYR A 79 -15.623 6.698 2.031 1.00 0.00 H new ATOM 1170 N GLY A 80 -8.642 4.005 7.132 1.00 0.00 N ATOM 1171 CA GLY A 80 -8.058 4.197 8.448 1.00 0.00 C ATOM 1172 C GLY A 80 -6.558 4.477 8.347 1.00 0.00 C ATOM 1173 O GLY A 80 -6.116 5.603 8.569 1.00 0.00 O ATOM 0 H GLY A 80 -8.619 3.044 6.792 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.553 5.027 8.952 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.225 3.309 9.057 1.00 0.00 H new ATOM 1177 N ARG A 81 -5.815 3.432 8.013 1.00 0.00 N ATOM 1178 CA ARG A 81 -4.373 3.551 7.879 1.00 0.00 C ATOM 1179 C ARG A 81 -4.007 4.893 7.243 1.00 0.00 C ATOM 1180 O ARG A 81 -3.063 5.552 7.674 1.00 0.00 O ATOM 1181 CB ARG A 81 -3.803 2.417 7.025 1.00 0.00 C ATOM 1182 CG ARG A 81 -3.749 1.108 7.816 1.00 0.00 C ATOM 1183 CD ARG A 81 -2.635 1.148 8.864 1.00 0.00 C ATOM 1184 NE ARG A 81 -2.690 -0.068 9.707 1.00 0.00 N ATOM 1185 CZ ARG A 81 -2.197 -0.143 10.950 1.00 0.00 C ATOM 1186 NH1 ARG A 81 -1.610 0.927 11.504 1.00 0.00 N ATOM 1187 NH2 ARG A 81 -2.291 -1.287 11.641 1.00 0.00 N ATOM 0 H ARG A 81 -6.185 2.499 7.831 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.942 3.490 8.878 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.418 2.283 6.135 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.802 2.682 6.684 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.708 0.934 8.305 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -3.583 0.274 7.135 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -1.664 1.217 8.373 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.741 2.037 9.486 1.00 0.00 H new ATOM 0 HE ARG A 81 -3.131 -0.901 9.317 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.539 1.799 10.979 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.235 0.870 12.451 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -2.738 -2.102 11.220 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -1.915 -1.343 12.588 1.00 0.00 H new ATOM 1201 N ASP A 82 -4.775 5.258 6.226 1.00 0.00 N ATOM 1202 CA ASP A 82 -4.543 6.510 5.525 1.00 0.00 C ATOM 1203 C ASP A 82 -4.181 7.597 6.539 1.00 0.00 C ATOM 1204 O ASP A 82 -5.060 8.169 7.182 1.00 0.00 O ATOM 1205 CB ASP A 82 -5.798 6.962 4.776 1.00 0.00 C ATOM 1206 CG ASP A 82 -5.924 8.473 4.577 1.00 0.00 C ATOM 1207 OD1 ASP A 82 -5.178 8.997 3.721 1.00 0.00 O ATOM 1208 OD2 ASP A 82 -6.762 9.071 5.285 1.00 0.00 O ATOM 0 H ASP A 82 -5.558 4.709 5.871 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.734 6.353 4.812 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.813 6.480 3.799 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -6.674 6.608 5.319 1.00 0.00 H new ATOM 1213 N GLY A 83 -2.885 7.850 6.650 1.00 0.00 N ATOM 1214 CA GLY A 83 -2.396 8.859 7.575 1.00 0.00 C ATOM 1215 C GLY A 83 -1.902 8.218 8.873 1.00 0.00 C ATOM 1216 O GLY A 83 -2.139 8.745 9.959 1.00 0.00 O ATOM 0 H GLY A 83 -2.159 7.374 6.115 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -1.585 9.421 7.111 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.191 9.571 7.796 1.00 0.00 H new ATOM 1220 N TYR A 84 -1.222 7.091 8.718 1.00 0.00 N ATOM 1221 CA TYR A 84 -0.692 6.374 9.865 1.00 0.00 C ATOM 1222 C TYR A 84 0.656 6.952 10.299 1.00 0.00 C ATOM 1223 O TYR A 84 1.232 7.785 9.600 1.00 0.00 O ATOM 1224 CB TYR A 84 -0.489 4.930 9.402 1.00 0.00 C ATOM 1225 CG TYR A 84 -0.046 3.976 10.513 1.00 0.00 C ATOM 1226 CD1 TYR A 84 -0.786 3.879 11.675 1.00 0.00 C ATOM 1227 CD2 TYR A 84 1.093 3.213 10.355 1.00 0.00 C ATOM 1228 CE1 TYR A 84 -0.369 2.981 12.721 1.00 0.00 C ATOM 1229 CE2 TYR A 84 1.509 2.315 11.401 1.00 0.00 C ATOM 1230 CZ TYR A 84 0.758 2.244 12.532 1.00 0.00 C ATOM 1231 OH TYR A 84 1.151 1.396 13.520 1.00 0.00 O ATOM 0 H TYR A 84 -1.026 6.657 7.816 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.373 6.450 10.713 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.421 4.563 8.972 1.00 0.00 H new ATOM 0 HB3 TYR A 84 0.256 4.916 8.607 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.677 4.476 11.799 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.672 3.289 9.447 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.938 2.895 13.635 1.00 0.00 H new ATOM 0 HE2 TYR A 84 2.398 1.711 11.290 1.00 0.00 H new ATOM 0 HH TYR A 84 1.971 0.934 13.247 1.00 0.00 H new ATOM 1241 N ASP A 85 1.120 6.488 11.450 1.00 0.00 N ATOM 1242 CA ASP A 85 2.390 6.949 11.985 1.00 0.00 C ATOM 1243 C ASP A 85 3.262 5.741 12.330 1.00 0.00 C ATOM 1244 O ASP A 85 3.152 5.183 13.421 1.00 0.00 O ATOM 1245 CB ASP A 85 2.186 7.765 13.263 1.00 0.00 C ATOM 1246 CG ASP A 85 3.434 7.929 14.132 1.00 0.00 C ATOM 1247 OD1 ASP A 85 4.210 8.865 13.841 1.00 0.00 O ATOM 1248 OD2 ASP A 85 3.584 7.115 15.069 1.00 0.00 O ATOM 0 H ASP A 85 0.639 5.798 12.027 1.00 0.00 H new ATOM 0 HA ASP A 85 2.866 7.574 11.230 1.00 0.00 H new ATOM 0 HB2 ASP A 85 1.820 8.754 12.990 1.00 0.00 H new ATOM 0 HB3 ASP A 85 1.407 7.290 13.859 1.00 0.00 H new ATOM 1253 N TYR A 86 4.109 5.372 11.381 1.00 0.00 N ATOM 1254 CA TYR A 86 5.000 4.239 11.571 1.00 0.00 C ATOM 1255 C TYR A 86 6.342 4.689 12.151 1.00 0.00 C ATOM 1256 O TYR A 86 7.235 5.101 11.412 1.00 0.00 O ATOM 1257 CB TYR A 86 5.232 3.647 10.179 1.00 0.00 C ATOM 1258 CG TYR A 86 6.048 2.353 10.182 1.00 0.00 C ATOM 1259 CD1 TYR A 86 7.427 2.406 10.209 1.00 0.00 C ATOM 1260 CD2 TYR A 86 5.405 1.132 10.157 1.00 0.00 C ATOM 1261 CE1 TYR A 86 8.194 1.188 10.211 1.00 0.00 C ATOM 1262 CE2 TYR A 86 6.173 -0.086 10.160 1.00 0.00 C ATOM 1263 CZ TYR A 86 7.530 0.002 10.187 1.00 0.00 C ATOM 1264 OH TYR A 86 8.255 -1.148 10.189 1.00 0.00 O ATOM 0 H TYR A 86 4.198 5.837 10.478 1.00 0.00 H new ATOM 0 HA TYR A 86 4.564 3.519 12.264 1.00 0.00 H new ATOM 0 HB2 TYR A 86 4.266 3.455 9.712 1.00 0.00 H new ATOM 0 HB3 TYR A 86 5.743 4.386 9.562 1.00 0.00 H new ATOM 0 HD1 TYR A 86 7.930 3.361 10.229 1.00 0.00 H new ATOM 0 HD2 TYR A 86 4.326 1.090 10.135 1.00 0.00 H new ATOM 0 HE1 TYR A 86 9.273 1.216 10.231 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.682 -1.048 10.141 1.00 0.00 H new ATOM 0 HH TYR A 86 7.915 -1.748 10.885 1.00 0.00 H new ATOM 1274 N ASP A 87 6.442 4.594 13.469 1.00 0.00 N ATOM 1275 CA ASP A 87 7.660 4.986 14.157 1.00 0.00 C ATOM 1276 C ASP A 87 8.040 6.409 13.743 1.00 0.00 C ATOM 1277 O ASP A 87 9.220 6.719 13.583 1.00 0.00 O ATOM 1278 CB ASP A 87 8.822 4.061 13.790 1.00 0.00 C ATOM 1279 CG ASP A 87 9.850 3.841 14.902 1.00 0.00 C ATOM 1280 OD1 ASP A 87 9.623 2.914 15.709 1.00 0.00 O ATOM 1281 OD2 ASP A 87 10.840 4.604 14.919 1.00 0.00 O ATOM 0 H ASP A 87 5.699 4.251 14.078 1.00 0.00 H new ATOM 0 HA ASP A 87 7.475 4.925 15.230 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.417 3.093 13.494 1.00 0.00 H new ATOM 0 HB3 ASP A 87 9.333 4.472 12.920 1.00 0.00 H new ATOM 1286 N GLY A 88 7.018 7.237 13.580 1.00 0.00 N ATOM 1287 CA GLY A 88 7.230 8.619 13.187 1.00 0.00 C ATOM 1288 C GLY A 88 6.985 8.807 11.689 1.00 0.00 C ATOM 1289 O GLY A 88 6.424 9.818 11.270 1.00 0.00 O ATOM 0 H GLY A 88 6.041 6.977 13.713 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.562 9.268 13.753 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.249 8.918 13.433 1.00 0.00 H new ATOM 1293 N TYR A 89 7.418 7.817 10.922 1.00 0.00 N ATOM 1294 CA TYR A 89 7.253 7.861 9.479 1.00 0.00 C ATOM 1295 C TYR A 89 5.779 7.722 9.092 1.00 0.00 C ATOM 1296 O TYR A 89 5.204 6.640 9.201 1.00 0.00 O ATOM 1297 CB TYR A 89 8.027 6.661 8.930 1.00 0.00 C ATOM 1298 CG TYR A 89 9.528 6.700 9.227 1.00 0.00 C ATOM 1299 CD1 TYR A 89 10.016 6.136 10.388 1.00 0.00 C ATOM 1300 CD2 TYR A 89 10.393 7.300 8.334 1.00 0.00 C ATOM 1301 CE1 TYR A 89 11.429 6.172 10.667 1.00 0.00 C ATOM 1302 CE2 TYR A 89 11.805 7.336 8.613 1.00 0.00 C ATOM 1303 CZ TYR A 89 12.253 6.771 9.766 1.00 0.00 C ATOM 1304 OH TYR A 89 13.587 6.806 10.030 1.00 0.00 O ATOM 0 H TYR A 89 7.883 6.980 11.273 1.00 0.00 H new ATOM 0 HA TYR A 89 7.613 8.809 9.080 1.00 0.00 H new ATOM 0 HB2 TYR A 89 7.607 5.747 9.351 1.00 0.00 H new ATOM 0 HB3 TYR A 89 7.882 6.611 7.851 1.00 0.00 H new ATOM 0 HD1 TYR A 89 9.339 5.668 11.087 1.00 0.00 H new ATOM 0 HD2 TYR A 89 10.011 7.742 7.426 1.00 0.00 H new ATOM 0 HE1 TYR A 89 11.825 5.733 11.571 1.00 0.00 H new ATOM 0 HE2 TYR A 89 12.493 7.801 7.922 1.00 0.00 H new ATOM 0 HH TYR A 89 14.053 7.263 9.299 1.00 0.00 H new ATOM 1314 N ARG A 90 5.211 8.833 8.647 1.00 0.00 N ATOM 1315 CA ARG A 90 3.815 8.849 8.242 1.00 0.00 C ATOM 1316 C ARG A 90 3.642 8.123 6.906 1.00 0.00 C ATOM 1317 O ARG A 90 4.428 8.321 5.982 1.00 0.00 O ATOM 1318 CB ARG A 90 3.297 10.282 8.107 1.00 0.00 C ATOM 1319 CG ARG A 90 2.652 10.757 9.410 1.00 0.00 C ATOM 1320 CD ARG A 90 2.027 12.143 9.240 1.00 0.00 C ATOM 1321 NE ARG A 90 2.849 13.158 9.935 1.00 0.00 N ATOM 1322 CZ ARG A 90 2.582 14.471 9.933 1.00 0.00 C ATOM 1323 NH1 ARG A 90 1.513 14.936 9.272 1.00 0.00 N ATOM 1324 NH2 ARG A 90 3.384 15.319 10.591 1.00 0.00 N ATOM 0 H ARG A 90 5.692 9.728 8.558 1.00 0.00 H new ATOM 0 HA ARG A 90 3.240 8.338 9.014 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.119 10.946 7.841 1.00 0.00 H new ATOM 0 HB3 ARG A 90 2.570 10.335 7.297 1.00 0.00 H new ATOM 0 HG2 ARG A 90 1.888 10.045 9.722 1.00 0.00 H new ATOM 0 HG3 ARG A 90 3.401 10.787 10.201 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.950 12.389 8.181 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.014 12.146 9.642 1.00 0.00 H new ATOM 0 HE ARG A 90 3.671 12.838 10.448 1.00 0.00 H new ATOM 0 HH11 ARG A 90 0.903 14.290 8.771 1.00 0.00 H new ATOM 0 HH12 ARG A 90 1.309 15.935 9.270 1.00 0.00 H new ATOM 0 HH21 ARG A 90 4.198 14.965 11.094 1.00 0.00 H new ATOM 0 HH22 ARG A 90 3.181 16.319 10.589 1.00 0.00 H new ATOM 1338 N LEU A 91 2.606 7.299 6.847 1.00 0.00 N ATOM 1339 CA LEU A 91 2.319 6.543 5.640 1.00 0.00 C ATOM 1340 C LEU A 91 1.142 7.189 4.907 1.00 0.00 C ATOM 1341 O LEU A 91 0.390 7.965 5.495 1.00 0.00 O ATOM 1342 CB LEU A 91 2.100 5.066 5.973 1.00 0.00 C ATOM 1343 CG LEU A 91 3.187 4.400 6.819 1.00 0.00 C ATOM 1344 CD1 LEU A 91 2.785 2.976 7.206 1.00 0.00 C ATOM 1345 CD2 LEU A 91 4.539 4.440 6.104 1.00 0.00 C ATOM 0 H LEU A 91 1.955 7.138 7.616 1.00 0.00 H new ATOM 0 HA LEU A 91 3.171 6.570 4.961 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.149 4.970 6.498 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.006 4.514 5.038 1.00 0.00 H new ATOM 0 HG LEU A 91 3.295 4.966 7.744 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.575 2.525 7.807 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.861 3.003 7.783 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.632 2.383 6.304 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.294 3.960 6.727 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.464 3.912 5.153 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.824 5.476 5.922 1.00 0.00 H new ATOM 1357 N ARG A 92 1.019 6.846 3.633 1.00 0.00 N ATOM 1358 CA ARG A 92 -0.053 7.383 2.813 1.00 0.00 C ATOM 1359 C ARG A 92 -0.799 6.250 2.106 1.00 0.00 C ATOM 1360 O ARG A 92 -0.362 5.770 1.061 1.00 0.00 O ATOM 1361 CB ARG A 92 0.489 8.358 1.766 1.00 0.00 C ATOM 1362 CG ARG A 92 -0.261 9.690 1.816 1.00 0.00 C ATOM 1363 CD ARG A 92 0.207 10.626 0.700 1.00 0.00 C ATOM 1364 NE ARG A 92 -0.835 10.725 -0.347 1.00 0.00 N ATOM 1365 CZ ARG A 92 -0.742 11.513 -1.427 1.00 0.00 C ATOM 1366 NH1 ARG A 92 0.345 12.275 -1.609 1.00 0.00 N ATOM 1367 NH2 ARG A 92 -1.736 11.539 -2.325 1.00 0.00 N ATOM 0 H ARG A 92 1.645 6.202 3.149 1.00 0.00 H new ATOM 0 HA ARG A 92 -0.737 7.918 3.472 1.00 0.00 H new ATOM 0 HB2 ARG A 92 1.552 8.528 1.938 1.00 0.00 H new ATOM 0 HB3 ARG A 92 0.394 7.920 0.772 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -1.332 9.512 1.721 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -0.102 10.165 2.784 1.00 0.00 H new ATOM 0 HD2 ARG A 92 0.420 11.614 1.108 1.00 0.00 H new ATOM 0 HD3 ARG A 92 1.135 10.254 0.267 1.00 0.00 H new ATOM 0 HE ARG A 92 -1.676 10.158 -0.240 1.00 0.00 H new ATOM 0 HH11 ARG A 92 1.102 12.255 -0.925 1.00 0.00 H new ATOM 0 HH12 ARG A 92 0.416 12.875 -2.431 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -2.564 10.959 -2.187 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -1.665 12.139 -3.147 1.00 0.00 H new ATOM 1381 N VAL A 93 -1.914 5.855 2.704 1.00 0.00 N ATOM 1382 CA VAL A 93 -2.725 4.787 2.145 1.00 0.00 C ATOM 1383 C VAL A 93 -3.858 5.394 1.316 1.00 0.00 C ATOM 1384 O VAL A 93 -4.597 6.250 1.801 1.00 0.00 O ATOM 1385 CB VAL A 93 -3.227 3.870 3.263 1.00 0.00 C ATOM 1386 CG1 VAL A 93 -3.654 2.511 2.707 1.00 0.00 C ATOM 1387 CG2 VAL A 93 -2.168 3.708 4.355 1.00 0.00 C ATOM 0 H VAL A 93 -2.274 6.256 3.570 1.00 0.00 H new ATOM 0 HA VAL A 93 -2.129 4.165 1.476 1.00 0.00 H new ATOM 0 HB VAL A 93 -4.103 4.338 3.712 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.006 1.879 3.522 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -4.457 2.650 1.983 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.804 2.034 2.219 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.550 3.052 5.137 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.266 3.273 3.925 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.933 4.683 4.782 1.00 0.00 H new ATOM 1397 N GLU A 94 -3.960 4.927 0.080 1.00 0.00 N ATOM 1398 CA GLU A 94 -4.991 5.413 -0.821 1.00 0.00 C ATOM 1399 C GLU A 94 -5.216 4.415 -1.958 1.00 0.00 C ATOM 1400 O GLU A 94 -4.524 3.402 -2.046 1.00 0.00 O ATOM 1401 CB GLU A 94 -4.634 6.797 -1.368 1.00 0.00 C ATOM 1402 CG GLU A 94 -3.281 6.771 -2.082 1.00 0.00 C ATOM 1403 CD GLU A 94 -3.146 7.954 -3.043 1.00 0.00 C ATOM 1404 OE1 GLU A 94 -4.200 8.400 -3.546 1.00 0.00 O ATOM 1405 OE2 GLU A 94 -1.992 8.386 -3.252 1.00 0.00 O ATOM 0 H GLU A 94 -3.345 4.217 -0.318 1.00 0.00 H new ATOM 0 HA GLU A 94 -5.920 5.510 -0.260 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -5.408 7.130 -2.060 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -4.605 7.518 -0.551 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.477 6.801 -1.347 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.174 5.836 -2.633 1.00 0.00 H new ATOM 1412 N PHE A 95 -6.186 4.737 -2.802 1.00 0.00 N ATOM 1413 CA PHE A 95 -6.510 3.881 -3.930 1.00 0.00 C ATOM 1414 C PHE A 95 -5.866 4.402 -5.217 1.00 0.00 C ATOM 1415 O PHE A 95 -5.667 5.606 -5.372 1.00 0.00 O ATOM 1416 CB PHE A 95 -8.032 3.908 -4.089 1.00 0.00 C ATOM 1417 CG PHE A 95 -8.776 2.996 -3.111 1.00 0.00 C ATOM 1418 CD1 PHE A 95 -8.413 1.691 -2.988 1.00 0.00 C ATOM 1419 CD2 PHE A 95 -9.799 3.491 -2.365 1.00 0.00 C ATOM 1420 CE1 PHE A 95 -9.104 0.845 -2.081 1.00 0.00 C ATOM 1421 CE2 PHE A 95 -10.490 2.645 -1.457 1.00 0.00 C ATOM 1422 CZ PHE A 95 -10.127 1.340 -1.334 1.00 0.00 C ATOM 0 H PHE A 95 -6.757 5.579 -2.727 1.00 0.00 H new ATOM 0 HA PHE A 95 -6.137 2.873 -3.751 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.383 4.931 -3.955 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.286 3.615 -5.108 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.599 1.298 -3.580 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -10.086 4.527 -2.463 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -8.817 -0.192 -1.984 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -11.303 3.038 -0.865 1.00 0.00 H new ATOM 0 HZ PHE A 95 -10.651 0.697 -0.643 1.00 0.00 H new ATOM 1432 N PRO A 96 -5.549 3.445 -6.129 1.00 0.00 N ATOM 1433 CA PRO A 96 -4.931 3.794 -7.397 1.00 0.00 C ATOM 1434 C PRO A 96 -5.952 4.415 -8.352 1.00 0.00 C ATOM 1435 O PRO A 96 -7.154 4.194 -8.210 1.00 0.00 O ATOM 1436 CB PRO A 96 -4.343 2.494 -7.920 1.00 0.00 C ATOM 1437 CG PRO A 96 -5.049 1.382 -7.162 1.00 0.00 C ATOM 1438 CD PRO A 96 -5.769 2.009 -5.979 1.00 0.00 C ATOM 0 HA PRO A 96 -4.155 4.552 -7.292 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.503 2.397 -8.994 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -3.266 2.458 -7.754 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -5.758 0.868 -7.811 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -4.331 0.637 -6.820 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.832 1.768 -5.990 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.369 1.644 -5.033 1.00 0.00 H new