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= -2.56! C(o=-2.6!,f=-3.8!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0637 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 128:sc= -0.772 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 263 N ARG A 24 -7.358 -3.862 -3.812 1.00 0.00 N ATOM 264 CA ARG A 24 -5.965 -3.459 -3.913 1.00 0.00 C ATOM 265 C ARG A 24 -5.786 -2.033 -3.390 1.00 0.00 C ATOM 266 O ARG A 24 -6.487 -1.118 -3.818 1.00 0.00 O ATOM 267 CB ARG A 24 -5.475 -3.529 -5.361 1.00 0.00 C ATOM 268 CG ARG A 24 -4.906 -4.913 -5.680 1.00 0.00 C ATOM 269 CD ARG A 24 -3.431 -4.822 -6.077 1.00 0.00 C ATOM 270 NE ARG A 24 -3.180 -5.642 -7.283 1.00 0.00 N ATOM 271 CZ ARG A 24 -3.583 -5.309 -8.517 1.00 0.00 C ATOM 272 NH1 ARG A 24 -4.259 -4.169 -8.715 1.00 0.00 N ATOM 273 NH2 ARG A 24 -3.310 -6.115 -9.552 1.00 0.00 N ATOM 0 HA ARG A 24 -5.376 -4.148 -3.308 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.299 -3.305 -6.039 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.710 -2.770 -5.527 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -5.013 -5.563 -4.812 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.477 -5.367 -6.490 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.161 -3.784 -6.271 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.803 -5.167 -5.256 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.668 -6.516 -7.168 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.466 -3.556 -7.927 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.566 -3.915 -9.654 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.795 -6.983 -9.401 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.617 -5.861 -10.491 1.00 0.00 H new ATOM 287 N ILE A 25 -4.842 -1.888 -2.471 1.00 0.00 N ATOM 288 CA ILE A 25 -4.562 -0.589 -1.884 1.00 0.00 C ATOM 289 C ILE A 25 -3.086 -0.247 -2.095 1.00 0.00 C ATOM 290 O ILE A 25 -2.245 -1.140 -2.189 1.00 0.00 O ATOM 291 CB ILE A 25 -4.997 -0.557 -0.418 1.00 0.00 C ATOM 292 CG1 ILE A 25 -4.284 -1.644 0.389 1.00 0.00 C ATOM 293 CG2 ILE A 25 -6.519 -0.658 -0.295 1.00 0.00 C ATOM 294 CD1 ILE A 25 -4.189 -1.257 1.867 1.00 0.00 C ATOM 0 H ILE A 25 -4.262 -2.649 -2.119 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.144 0.187 -2.381 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.703 0.404 0.005 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.822 -2.587 0.290 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.284 -1.804 -0.014 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.801 -0.633 0.757 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.982 0.180 -0.815 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.859 -1.593 -0.740 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.678 -2.047 2.418 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.630 -0.326 1.964 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.192 -1.122 2.273 1.00 0.00 H new ATOM 306 N TYR A 26 -2.815 1.049 -2.163 1.00 0.00 N ATOM 307 CA TYR A 26 -1.455 1.520 -2.361 1.00 0.00 C ATOM 308 C TYR A 26 -0.950 2.272 -1.128 1.00 0.00 C ATOM 309 O TYR A 26 -1.644 3.138 -0.598 1.00 0.00 O ATOM 310 CB TYR A 26 -1.511 2.486 -3.546 1.00 0.00 C ATOM 311 CG TYR A 26 -0.282 3.388 -3.673 1.00 0.00 C ATOM 312 CD1 TYR A 26 -0.116 4.453 -2.811 1.00 0.00 C ATOM 313 CD2 TYR A 26 0.661 3.136 -4.648 1.00 0.00 C ATOM 314 CE1 TYR A 26 1.041 5.302 -2.930 1.00 0.00 C ATOM 315 CE2 TYR A 26 1.818 3.985 -4.767 1.00 0.00 C ATOM 316 CZ TYR A 26 1.951 5.026 -3.903 1.00 0.00 C ATOM 317 OH TYR A 26 3.044 5.828 -4.015 1.00 0.00 O ATOM 0 H TYR A 26 -3.515 1.787 -2.084 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.781 0.682 -2.537 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.623 1.911 -4.465 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.399 3.111 -3.450 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.854 4.650 -2.047 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.531 2.302 -5.322 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.183 6.139 -2.262 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.564 3.799 -5.526 1.00 0.00 H new ATOM 0 HH TYR A 26 3.608 5.512 -4.751 1.00 0.00 H new ATOM 327 N VAL A 27 0.254 1.914 -0.708 1.00 0.00 N ATOM 328 CA VAL A 27 0.860 2.545 0.453 1.00 0.00 C ATOM 329 C VAL A 27 2.087 3.345 0.011 1.00 0.00 C ATOM 330 O VAL A 27 2.894 2.863 -0.781 1.00 0.00 O ATOM 331 CB VAL A 27 1.184 1.490 1.512 1.00 0.00 C ATOM 332 CG1 VAL A 27 1.568 2.146 2.840 1.00 0.00 C ATOM 333 CG2 VAL A 27 0.014 0.521 1.698 1.00 0.00 C ATOM 0 H VAL A 27 0.827 1.195 -1.150 1.00 0.00 H new ATOM 0 HA VAL A 27 0.164 3.246 0.914 1.00 0.00 H new ATOM 0 HB VAL A 27 2.042 0.916 1.161 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.793 1.374 3.575 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.446 2.776 2.694 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.739 2.756 3.197 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.271 -0.219 2.456 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.870 1.074 2.016 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.194 0.016 0.755 1.00 0.00 H new ATOM 343 N GLY A 28 2.188 4.554 0.543 1.00 0.00 N ATOM 344 CA GLY A 28 3.303 5.426 0.213 1.00 0.00 C ATOM 345 C GLY A 28 3.851 6.112 1.466 1.00 0.00 C ATOM 346 O GLY A 28 3.368 5.872 2.572 1.00 0.00 O ATOM 0 H GLY A 28 1.516 4.951 1.200 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.094 4.847 -0.264 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.980 6.179 -0.507 1.00 0.00 H new ATOM 350 N ASN A 29 4.854 6.951 1.252 1.00 0.00 N ATOM 351 CA ASN A 29 5.474 7.673 2.349 1.00 0.00 C ATOM 352 C ASN A 29 6.015 6.671 3.372 1.00 0.00 C ATOM 353 O ASN A 29 6.022 6.945 4.571 1.00 0.00 O ATOM 354 CB ASN A 29 4.460 8.572 3.060 1.00 0.00 C ATOM 355 CG ASN A 29 4.215 9.856 2.265 1.00 0.00 C ATOM 356 OD1 ASN A 29 3.680 9.847 1.169 1.00 0.00 O ATOM 357 ND2 ASN A 29 4.636 10.959 2.878 1.00 0.00 N ATOM 0 H ASN A 29 5.253 7.147 0.334 1.00 0.00 H new ATOM 0 HA ASN A 29 6.275 8.287 1.938 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.520 8.035 3.189 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.825 8.821 4.057 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.519 11.868 2.430 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.076 10.896 3.796 1.00 0.00 H new ATOM 364 N LEU A 30 6.455 5.531 2.860 1.00 0.00 N ATOM 365 CA LEU A 30 6.997 4.487 3.713 1.00 0.00 C ATOM 366 C LEU A 30 8.474 4.775 3.989 1.00 0.00 C ATOM 367 O LEU A 30 9.113 5.521 3.248 1.00 0.00 O ATOM 368 CB LEU A 30 6.743 3.109 3.101 1.00 0.00 C ATOM 369 CG LEU A 30 5.311 2.581 3.206 1.00 0.00 C ATOM 370 CD1 LEU A 30 5.059 1.471 2.184 1.00 0.00 C ATOM 371 CD2 LEU A 30 4.997 2.128 4.634 1.00 0.00 C ATOM 0 H LEU A 30 6.447 5.307 1.865 1.00 0.00 H new ATOM 0 HA LEU A 30 6.488 4.480 4.677 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.019 3.145 2.047 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.409 2.392 3.581 1.00 0.00 H new ATOM 0 HG LEU A 30 4.628 3.397 2.969 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.034 1.114 2.280 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.214 1.861 1.178 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.749 0.647 2.365 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.973 1.757 4.681 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.685 1.333 4.923 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.109 2.971 5.316 1.00 0.00 H new ATOM 383 N PRO A 31 8.986 4.153 5.085 1.00 0.00 N ATOM 384 CA PRO A 31 10.376 4.335 5.467 1.00 0.00 C ATOM 385 C PRO A 31 11.307 3.548 4.542 1.00 0.00 C ATOM 386 O PRO A 31 10.864 2.649 3.829 1.00 0.00 O ATOM 387 CB PRO A 31 10.449 3.876 6.914 1.00 0.00 C ATOM 388 CG PRO A 31 9.212 3.023 7.144 1.00 0.00 C ATOM 389 CD PRO A 31 8.258 3.264 5.985 1.00 0.00 C ATOM 0 HA PRO A 31 10.706 5.370 5.374 1.00 0.00 H new ATOM 0 HB2 PRO A 31 11.358 3.303 7.096 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.468 4.728 7.593 1.00 0.00 H new ATOM 0 HG2 PRO A 31 9.481 1.968 7.204 1.00 0.00 H new ATOM 0 HG3 PRO A 31 8.738 3.285 8.090 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.992 2.330 5.490 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.328 3.720 6.326 1.00 0.00 H new ATOM 397 N PRO A 32 12.613 3.925 4.586 1.00 0.00 N ATOM 398 CA PRO A 32 13.610 3.265 3.760 1.00 0.00 C ATOM 399 C PRO A 32 13.954 1.882 4.318 1.00 0.00 C ATOM 400 O PRO A 32 14.386 1.000 3.577 1.00 0.00 O ATOM 401 CB PRO A 32 14.799 4.212 3.746 1.00 0.00 C ATOM 402 CG PRO A 32 14.604 5.143 4.932 1.00 0.00 C ATOM 403 CD PRO A 32 13.173 4.986 5.418 1.00 0.00 C ATOM 0 HA PRO A 32 13.258 3.075 2.746 1.00 0.00 H new ATOM 0 HB2 PRO A 32 15.737 3.663 3.831 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.841 4.773 2.812 1.00 0.00 H new ATOM 0 HG2 PRO A 32 15.307 4.898 5.729 1.00 0.00 H new ATOM 0 HG3 PRO A 32 14.797 6.176 4.642 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.141 4.719 6.474 1.00 0.00 H new ATOM 0 HD3 PRO A 32 12.613 5.914 5.306 1.00 0.00 H new ATOM 411 N ASP A 33 13.751 1.736 5.619 1.00 0.00 N ATOM 412 CA ASP A 33 14.035 0.476 6.284 1.00 0.00 C ATOM 413 C ASP A 33 12.718 -0.239 6.595 1.00 0.00 C ATOM 414 O ASP A 33 12.561 -0.818 7.669 1.00 0.00 O ATOM 415 CB ASP A 33 14.772 0.703 7.604 1.00 0.00 C ATOM 416 CG ASP A 33 15.954 -0.236 7.855 1.00 0.00 C ATOM 417 OD1 ASP A 33 15.741 -1.461 7.732 1.00 0.00 O ATOM 418 OD2 ASP A 33 17.043 0.293 8.166 1.00 0.00 O ATOM 0 H ASP A 33 13.393 2.470 6.230 1.00 0.00 H new ATOM 0 HA ASP A 33 14.660 -0.122 5.621 1.00 0.00 H new ATOM 0 HB2 ASP A 33 15.133 1.731 7.629 1.00 0.00 H new ATOM 0 HB3 ASP A 33 14.061 0.594 8.423 1.00 0.00 H new ATOM 423 N ILE A 34 11.806 -0.176 5.636 1.00 0.00 N ATOM 424 CA ILE A 34 10.508 -0.810 5.794 1.00 0.00 C ATOM 425 C ILE A 34 10.586 -2.253 5.293 1.00 0.00 C ATOM 426 O ILE A 34 11.440 -2.584 4.470 1.00 0.00 O ATOM 427 CB ILE A 34 9.420 0.020 5.111 1.00 0.00 C ATOM 428 CG1 ILE A 34 8.026 -0.440 5.545 1.00 0.00 C ATOM 429 CG2 ILE A 34 9.584 -0.005 3.590 1.00 0.00 C ATOM 430 CD1 ILE A 34 7.735 -0.022 6.988 1.00 0.00 C ATOM 0 H ILE A 34 11.940 0.305 4.746 1.00 0.00 H new ATOM 0 HA ILE A 34 10.230 -0.852 6.847 1.00 0.00 H new ATOM 0 HB ILE A 34 9.531 1.057 5.429 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.275 -0.013 4.880 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.952 -1.524 5.455 1.00 0.00 H new ATOM 0 HG21 ILE A 34 8.798 0.593 3.129 1.00 0.00 H new ATOM 0 HG22 ILE A 34 10.557 0.407 3.322 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.514 -1.033 3.233 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.739 -0.361 7.271 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.473 -0.470 7.653 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.786 1.064 7.070 1.00 0.00 H new ATOM 442 N ARG A 35 9.684 -3.075 5.809 1.00 0.00 N ATOM 443 CA ARG A 35 9.640 -4.475 5.424 1.00 0.00 C ATOM 444 C ARG A 35 8.211 -4.880 5.056 1.00 0.00 C ATOM 445 O ARG A 35 7.254 -4.430 5.684 1.00 0.00 O ATOM 446 CB ARG A 35 10.142 -5.374 6.556 1.00 0.00 C ATOM 447 CG ARG A 35 11.658 -5.248 6.724 1.00 0.00 C ATOM 448 CD ARG A 35 12.395 -6.219 5.799 1.00 0.00 C ATOM 449 NE ARG A 35 12.543 -7.535 6.459 1.00 0.00 N ATOM 450 CZ ARG A 35 13.137 -8.595 5.897 1.00 0.00 C ATOM 451 NH1 ARG A 35 13.643 -8.502 4.659 1.00 0.00 N ATOM 452 NH2 ARG A 35 13.226 -9.750 6.571 1.00 0.00 N ATOM 0 H ARG A 35 8.978 -2.798 6.491 1.00 0.00 H new ATOM 0 HA ARG A 35 10.291 -4.601 4.559 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.645 -5.103 7.488 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.881 -6.411 6.345 1.00 0.00 H new ATOM 0 HG2 ARG A 35 11.968 -4.226 6.506 1.00 0.00 H new ATOM 0 HG3 ARG A 35 11.931 -5.449 7.760 1.00 0.00 H new ATOM 0 HD2 ARG A 35 11.845 -6.332 4.865 1.00 0.00 H new ATOM 0 HD3 ARG A 35 13.376 -5.818 5.545 1.00 0.00 H new ATOM 0 HE ARG A 35 12.169 -7.641 7.402 1.00 0.00 H new ATOM 0 HH11 ARG A 35 13.575 -7.624 4.145 1.00 0.00 H new ATOM 0 HH12 ARG A 35 14.096 -9.310 4.231 1.00 0.00 H new ATOM 0 HH21 ARG A 35 12.841 -9.822 7.513 1.00 0.00 H new ATOM 0 HH22 ARG A 35 13.679 -10.557 6.142 1.00 0.00 H new ATOM 466 N THR A 36 8.112 -5.726 4.041 1.00 0.00 N ATOM 467 CA THR A 36 6.816 -6.196 3.583 1.00 0.00 C ATOM 468 C THR A 36 6.037 -6.825 4.740 1.00 0.00 C ATOM 469 O THR A 36 4.838 -6.591 4.886 1.00 0.00 O ATOM 470 CB THR A 36 7.047 -7.156 2.414 1.00 0.00 C ATOM 471 OG1 THR A 36 8.074 -6.529 1.649 1.00 0.00 O ATOM 472 CG2 THR A 36 5.853 -7.214 1.459 1.00 0.00 C ATOM 0 H THR A 36 8.908 -6.098 3.523 1.00 0.00 H new ATOM 0 HA THR A 36 6.199 -5.370 3.228 1.00 0.00 H new ATOM 0 HB THR A 36 7.252 -8.155 2.799 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.288 -7.085 0.871 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.069 -7.909 0.648 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.970 -7.552 2.001 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.668 -6.222 1.047 1.00 0.00 H new ATOM 480 N LYS A 37 6.750 -7.611 5.533 1.00 0.00 N ATOM 481 CA LYS A 37 6.141 -8.275 6.673 1.00 0.00 C ATOM 482 C LYS A 37 5.609 -7.222 7.647 1.00 0.00 C ATOM 483 O LYS A 37 4.419 -7.204 7.958 1.00 0.00 O ATOM 484 CB LYS A 37 7.126 -9.258 7.309 1.00 0.00 C ATOM 485 CG LYS A 37 6.466 -10.618 7.547 1.00 0.00 C ATOM 486 CD LYS A 37 7.003 -11.666 6.570 1.00 0.00 C ATOM 487 CE LYS A 37 5.978 -11.974 5.477 1.00 0.00 C ATOM 488 NZ LYS A 37 6.495 -11.566 4.152 1.00 0.00 N ATOM 0 H LYS A 37 7.744 -7.803 5.409 1.00 0.00 H new ATOM 0 HA LYS A 37 5.288 -8.874 6.354 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.994 -9.379 6.661 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.488 -8.855 8.255 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.651 -10.942 8.571 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.386 -10.527 7.431 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.926 -11.306 6.116 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.249 -12.580 7.111 1.00 0.00 H new ATOM 0 HE2 LYS A 37 5.751 -13.040 5.473 1.00 0.00 H new ATOM 0 HE3 LYS A 37 5.045 -11.451 5.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.787 -11.782 3.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 6.689 -10.544 4.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.373 -12.085 3.947 1.00 0.00 H new ATOM 502 N ASP A 38 6.516 -6.369 8.101 1.00 0.00 N ATOM 503 CA ASP A 38 6.152 -5.316 9.033 1.00 0.00 C ATOM 504 C ASP A 38 4.916 -4.582 8.510 1.00 0.00 C ATOM 505 O ASP A 38 4.008 -4.262 9.276 1.00 0.00 O ATOM 506 CB ASP A 38 7.282 -4.295 9.178 1.00 0.00 C ATOM 507 CG ASP A 38 8.585 -4.850 9.757 1.00 0.00 C ATOM 508 OD1 ASP A 38 8.650 -6.087 9.924 1.00 0.00 O ATOM 509 OD2 ASP A 38 9.487 -4.024 10.018 1.00 0.00 O ATOM 0 H ASP A 38 7.502 -6.386 7.840 1.00 0.00 H new ATOM 0 HA ASP A 38 5.955 -5.776 10.001 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.491 -3.866 8.198 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.936 -3.481 9.815 1.00 0.00 H new ATOM 514 N ILE A 39 4.920 -4.337 7.208 1.00 0.00 N ATOM 515 CA ILE A 39 3.810 -3.647 6.573 1.00 0.00 C ATOM 516 C ILE A 39 2.586 -4.564 6.558 1.00 0.00 C ATOM 517 O ILE A 39 1.450 -4.091 6.573 1.00 0.00 O ATOM 518 CB ILE A 39 4.215 -3.141 5.187 1.00 0.00 C ATOM 519 CG1 ILE A 39 5.349 -2.118 5.287 1.00 0.00 C ATOM 520 CG2 ILE A 39 3.007 -2.585 4.431 1.00 0.00 C ATOM 521 CD1 ILE A 39 5.862 -1.731 3.899 1.00 0.00 C ATOM 0 H ILE A 39 5.674 -4.604 6.575 1.00 0.00 H new ATOM 0 HA ILE A 39 3.538 -2.760 7.144 1.00 0.00 H new ATOM 0 HB ILE A 39 4.593 -3.986 4.612 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.996 -1.229 5.809 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.166 -2.532 5.878 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.323 -2.232 3.449 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.260 -3.370 4.311 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.576 -1.756 4.993 1.00 0.00 H new ATOM 0 HD11 ILE A 39 6.667 -1.003 3.999 1.00 0.00 H new ATOM 0 HD12 ILE A 39 6.236 -2.619 3.389 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.049 -1.295 3.319 1.00 0.00 H new ATOM 533 N GLU A 40 2.858 -5.861 6.530 1.00 0.00 N ATOM 534 CA GLU A 40 1.793 -6.849 6.513 1.00 0.00 C ATOM 535 C GLU A 40 1.092 -6.898 7.872 1.00 0.00 C ATOM 536 O GLU A 40 -0.095 -6.594 7.974 1.00 0.00 O ATOM 537 CB GLU A 40 2.330 -8.228 6.123 1.00 0.00 C ATOM 538 CG GLU A 40 1.584 -9.337 6.867 1.00 0.00 C ATOM 539 CD GLU A 40 1.713 -10.673 6.132 1.00 0.00 C ATOM 540 OE1 GLU A 40 2.871 -11.087 5.908 1.00 0.00 O ATOM 541 OE2 GLU A 40 0.652 -11.249 5.811 1.00 0.00 O ATOM 0 H GLU A 40 3.801 -6.250 6.519 1.00 0.00 H new ATOM 0 HA GLU A 40 1.062 -6.554 5.760 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.225 -8.372 5.048 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.395 -8.285 6.350 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.982 -9.434 7.877 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.531 -9.071 6.963 1.00 0.00 H new ATOM 548 N ASP A 41 1.858 -7.282 8.883 1.00 0.00 N ATOM 549 CA ASP A 41 1.326 -7.374 10.232 1.00 0.00 C ATOM 550 C ASP A 41 0.591 -6.077 10.576 1.00 0.00 C ATOM 551 O ASP A 41 -0.369 -6.088 11.344 1.00 0.00 O ATOM 552 CB ASP A 41 2.447 -7.568 11.255 1.00 0.00 C ATOM 553 CG ASP A 41 1.990 -7.621 12.714 1.00 0.00 C ATOM 554 OD1 ASP A 41 0.762 -7.526 12.927 1.00 0.00 O ATOM 555 OD2 ASP A 41 2.878 -7.756 13.583 1.00 0.00 O ATOM 0 H ASP A 41 2.843 -7.533 8.795 1.00 0.00 H new ATOM 0 HA ASP A 41 0.651 -8.229 10.270 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.975 -8.493 11.022 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.164 -6.755 11.144 1.00 0.00 H new ATOM 560 N VAL A 42 1.071 -4.989 9.990 1.00 0.00 N ATOM 561 CA VAL A 42 0.472 -3.686 10.225 1.00 0.00 C ATOM 562 C VAL A 42 -1.007 -3.732 9.835 1.00 0.00 C ATOM 563 O VAL A 42 -1.882 -3.606 10.691 1.00 0.00 O ATOM 564 CB VAL A 42 1.255 -2.608 9.474 1.00 0.00 C ATOM 565 CG1 VAL A 42 0.415 -1.341 9.301 1.00 0.00 C ATOM 566 CG2 VAL A 42 2.576 -2.297 10.180 1.00 0.00 C ATOM 0 H VAL A 42 1.868 -4.984 9.353 1.00 0.00 H new ATOM 0 HA VAL A 42 0.521 -3.427 11.283 1.00 0.00 H new ATOM 0 HB VAL A 42 1.488 -2.994 8.482 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.995 -0.590 8.764 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.486 -1.576 8.735 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.137 -0.952 10.281 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.113 -1.527 9.625 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.374 -1.941 11.190 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.184 -3.200 10.228 1.00 0.00 H new ATOM 576 N PHE A 43 -1.240 -3.914 8.544 1.00 0.00 N ATOM 577 CA PHE A 43 -2.598 -3.978 8.031 1.00 0.00 C ATOM 578 C PHE A 43 -3.338 -5.196 8.587 1.00 0.00 C ATOM 579 O PHE A 43 -4.567 -5.214 8.632 1.00 0.00 O ATOM 580 CB PHE A 43 -2.496 -4.108 6.510 1.00 0.00 C ATOM 581 CG PHE A 43 -2.305 -2.776 5.782 1.00 0.00 C ATOM 582 CD1 PHE A 43 -1.067 -2.222 5.691 1.00 0.00 C ATOM 583 CD2 PHE A 43 -3.375 -2.145 5.227 1.00 0.00 C ATOM 584 CE1 PHE A 43 -0.890 -0.986 5.015 1.00 0.00 C ATOM 585 CE2 PHE A 43 -3.198 -0.909 4.552 1.00 0.00 C ATOM 586 CZ PHE A 43 -1.959 -0.355 4.460 1.00 0.00 C ATOM 0 H PHE A 43 -0.512 -4.019 7.838 1.00 0.00 H new ATOM 0 HA PHE A 43 -3.150 -3.086 8.327 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.661 -4.766 6.267 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.400 -4.588 6.135 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.218 -2.722 6.133 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.359 -2.584 5.300 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.094 -0.547 4.942 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.047 -0.408 4.111 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.824 0.585 3.946 1.00 0.00 H new ATOM 596 N TYR A 44 -2.557 -6.185 8.998 1.00 0.00 N ATOM 597 CA TYR A 44 -3.123 -7.405 9.549 1.00 0.00 C ATOM 598 C TYR A 44 -3.956 -7.107 10.798 1.00 0.00 C ATOM 599 O TYR A 44 -4.713 -7.959 11.260 1.00 0.00 O ATOM 600 CB TYR A 44 -1.932 -8.282 9.942 1.00 0.00 C ATOM 601 CG TYR A 44 -2.218 -9.783 9.880 1.00 0.00 C ATOM 602 CD1 TYR A 44 -2.956 -10.387 10.879 1.00 0.00 C ATOM 603 CD2 TYR A 44 -1.738 -10.535 8.827 1.00 0.00 C ATOM 604 CE1 TYR A 44 -3.225 -11.800 10.821 1.00 0.00 C ATOM 605 CE2 TYR A 44 -2.008 -11.948 8.769 1.00 0.00 C ATOM 606 CZ TYR A 44 -2.738 -12.511 9.769 1.00 0.00 C ATOM 607 OH TYR A 44 -2.992 -13.846 9.715 1.00 0.00 O ATOM 0 H TYR A 44 -1.538 -6.166 8.960 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.776 -7.888 8.822 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.094 -8.055 9.284 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.622 -8.023 10.954 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -3.331 -9.799 11.704 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -1.160 -10.063 8.046 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.801 -12.285 11.596 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -1.639 -12.547 7.950 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.584 -14.224 8.908 1.00 0.00 H new ATOM 617 N LYS A 45 -3.787 -5.896 11.307 1.00 0.00 N ATOM 618 CA LYS A 45 -4.514 -5.476 12.493 1.00 0.00 C ATOM 619 C LYS A 45 -6.012 -5.438 12.182 1.00 0.00 C ATOM 620 O LYS A 45 -6.837 -5.366 13.091 1.00 0.00 O ATOM 621 CB LYS A 45 -3.962 -4.149 13.018 1.00 0.00 C ATOM 622 CG LYS A 45 -4.434 -2.978 12.154 1.00 0.00 C ATOM 623 CD LYS A 45 -5.066 -1.882 13.013 1.00 0.00 C ATOM 624 CE LYS A 45 -6.571 -2.107 13.169 1.00 0.00 C ATOM 625 NZ LYS A 45 -7.039 -1.595 14.477 1.00 0.00 N ATOM 0 H LYS A 45 -3.158 -5.192 10.920 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.374 -6.195 13.300 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.285 -3.999 14.048 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.873 -4.183 13.027 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.590 -2.568 11.598 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.158 -3.332 11.420 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.593 -1.867 13.995 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.886 -0.908 12.557 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.105 -1.604 12.363 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.796 -3.170 13.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.063 -1.756 14.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.542 -2.093 15.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.842 -0.576 14.542 1.00 0.00 H new ATOM 639 N TYR A 46 -6.317 -5.488 10.893 1.00 0.00 N ATOM 640 CA TYR A 46 -7.701 -5.460 10.451 1.00 0.00 C ATOM 641 C TYR A 46 -8.175 -6.858 10.047 1.00 0.00 C ATOM 642 O TYR A 46 -9.126 -7.384 10.622 1.00 0.00 O ATOM 643 CB TYR A 46 -7.732 -4.549 9.222 1.00 0.00 C ATOM 644 CG TYR A 46 -7.655 -3.057 9.552 1.00 0.00 C ATOM 645 CD1 TYR A 46 -8.812 -2.340 9.780 1.00 0.00 C ATOM 646 CD2 TYR A 46 -6.428 -2.428 9.621 1.00 0.00 C ATOM 647 CE1 TYR A 46 -8.739 -0.936 10.090 1.00 0.00 C ATOM 648 CE2 TYR A 46 -6.356 -1.024 9.931 1.00 0.00 C ATOM 649 CZ TYR A 46 -7.515 -0.347 10.150 1.00 0.00 C ATOM 650 OH TYR A 46 -7.446 0.980 10.443 1.00 0.00 O ATOM 0 H TYR A 46 -5.630 -5.548 10.141 1.00 0.00 H new ATOM 0 HA TYR A 46 -8.353 -5.107 11.250 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -6.900 -4.810 8.568 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -8.648 -4.740 8.663 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.772 -2.832 9.726 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.523 -2.989 9.442 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -9.637 -0.363 10.271 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.403 -0.520 9.988 1.00 0.00 H new ATOM 0 HH TYR A 46 -6.508 1.264 10.453 1.00 0.00 H new ATOM 660 N GLY A 47 -7.490 -7.418 9.061 1.00 0.00 N ATOM 661 CA GLY A 47 -7.830 -8.744 8.573 1.00 0.00 C ATOM 662 C GLY A 47 -6.582 -9.486 8.090 1.00 0.00 C ATOM 663 O GLY A 47 -5.583 -9.558 8.803 1.00 0.00 O ATOM 0 H GLY A 47 -6.701 -6.978 8.587 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.313 -9.315 9.366 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.548 -8.662 7.757 1.00 0.00 H new ATOM 667 N ALA A 48 -6.682 -10.021 6.881 1.00 0.00 N ATOM 668 CA ALA A 48 -5.574 -10.755 6.294 1.00 0.00 C ATOM 669 C ALA A 48 -5.195 -10.115 4.957 1.00 0.00 C ATOM 670 O ALA A 48 -5.972 -9.347 4.390 1.00 0.00 O ATOM 671 CB ALA A 48 -5.959 -12.228 6.147 1.00 0.00 C ATOM 0 H ALA A 48 -7.513 -9.960 6.293 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.698 -10.710 6.941 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.128 -12.779 5.707 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.191 -12.643 7.128 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -6.833 -12.313 5.502 1.00 0.00 H new ATOM 677 N ILE A 49 -4.002 -10.454 4.492 1.00 0.00 N ATOM 678 CA ILE A 49 -3.511 -9.922 3.233 1.00 0.00 C ATOM 679 C ILE A 49 -3.322 -11.069 2.238 1.00 0.00 C ATOM 680 O ILE A 49 -2.986 -12.186 2.629 1.00 0.00 O ATOM 681 CB ILE A 49 -2.246 -9.090 3.459 1.00 0.00 C ATOM 682 CG1 ILE A 49 -2.541 -7.872 4.336 1.00 0.00 C ATOM 683 CG2 ILE A 49 -1.604 -8.696 2.127 1.00 0.00 C ATOM 684 CD1 ILE A 49 -1.348 -7.542 5.236 1.00 0.00 C ATOM 0 H ILE A 49 -3.361 -11.091 4.965 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.241 -9.239 2.798 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.523 -9.705 3.995 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.774 -7.014 3.706 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.421 -8.066 4.949 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.707 -8.106 2.316 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.336 -9.595 1.572 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.310 -8.106 1.543 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.584 -6.672 5.849 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.133 -8.393 5.882 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.476 -7.325 4.619 1.00 0.00 H new ATOM 696 N ARG A 50 -3.547 -10.754 0.971 1.00 0.00 N ATOM 697 CA ARG A 50 -3.407 -11.745 -0.083 1.00 0.00 C ATOM 698 C ARG A 50 -1.990 -11.708 -0.660 1.00 0.00 C ATOM 699 O ARG A 50 -1.458 -12.737 -1.074 1.00 0.00 O ATOM 700 CB ARG A 50 -4.415 -11.500 -1.207 1.00 0.00 C ATOM 701 CG ARG A 50 -4.137 -12.415 -2.402 1.00 0.00 C ATOM 702 CD ARG A 50 -5.425 -13.074 -2.899 1.00 0.00 C ATOM 703 NE ARG A 50 -5.326 -14.545 -2.761 1.00 0.00 N ATOM 704 CZ ARG A 50 -4.770 -15.350 -3.677 1.00 0.00 C ATOM 705 NH1 ARG A 50 -4.259 -14.832 -4.802 1.00 0.00 N ATOM 706 NH2 ARG A 50 -4.725 -16.672 -3.467 1.00 0.00 N ATOM 0 H ARG A 50 -3.825 -9.827 0.650 1.00 0.00 H new ATOM 0 HA ARG A 50 -3.600 -12.725 0.354 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.426 -11.674 -0.838 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.366 -10.458 -1.523 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.685 -11.838 -3.209 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.418 -13.183 -2.117 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -6.277 -12.703 -2.329 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.600 -12.809 -3.942 1.00 0.00 H new ATOM 0 HE ARG A 50 -5.705 -14.972 -1.916 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -4.293 -13.825 -4.961 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.836 -15.445 -5.499 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.114 -17.066 -2.610 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -4.302 -17.285 -4.164 1.00 0.00 H new ATOM 720 N ASP A 51 -1.420 -10.513 -0.669 1.00 0.00 N ATOM 721 CA ASP A 51 -0.076 -10.328 -1.189 1.00 0.00 C ATOM 722 C ASP A 51 0.323 -8.858 -1.050 1.00 0.00 C ATOM 723 O ASP A 51 -0.535 -7.989 -0.908 1.00 0.00 O ATOM 724 CB ASP A 51 -0.002 -10.700 -2.671 1.00 0.00 C ATOM 725 CG ASP A 51 1.384 -10.566 -3.304 1.00 0.00 C ATOM 726 OD1 ASP A 51 1.712 -9.434 -3.719 1.00 0.00 O ATOM 727 OD2 ASP A 51 2.085 -11.600 -3.357 1.00 0.00 O ATOM 0 H ASP A 51 -1.864 -9.662 -0.324 1.00 0.00 H new ATOM 0 HA ASP A 51 0.596 -10.972 -0.622 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.340 -11.729 -2.789 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.699 -10.070 -3.223 1.00 0.00 H new ATOM 732 N ILE A 52 1.627 -8.625 -1.094 1.00 0.00 N ATOM 733 CA ILE A 52 2.150 -7.275 -0.974 1.00 0.00 C ATOM 734 C ILE A 52 3.230 -7.055 -2.035 1.00 0.00 C ATOM 735 O ILE A 52 4.294 -7.670 -1.980 1.00 0.00 O ATOM 736 CB ILE A 52 2.629 -7.010 0.454 1.00 0.00 C ATOM 737 CG1 ILE A 52 1.464 -7.074 1.444 1.00 0.00 C ATOM 738 CG2 ILE A 52 3.384 -5.682 0.543 1.00 0.00 C ATOM 739 CD1 ILE A 52 1.947 -7.492 2.834 1.00 0.00 C ATOM 0 H ILE A 52 2.336 -9.349 -1.211 1.00 0.00 H new ATOM 0 HA ILE A 52 1.363 -6.544 -1.162 1.00 0.00 H new ATOM 0 HB ILE A 52 3.330 -7.798 0.730 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.978 -6.100 1.502 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.717 -7.783 1.086 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.713 -5.519 1.569 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.252 -5.712 -0.116 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.726 -4.868 0.239 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.099 -7.529 3.518 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.411 -8.477 2.777 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.676 -6.768 3.199 1.00 0.00 H new ATOM 751 N ASP A 53 2.920 -6.177 -2.977 1.00 0.00 N ATOM 752 CA ASP A 53 3.851 -5.869 -4.050 1.00 0.00 C ATOM 753 C ASP A 53 4.560 -4.549 -3.740 1.00 0.00 C ATOM 754 O ASP A 53 3.941 -3.486 -3.768 1.00 0.00 O ATOM 755 CB ASP A 53 3.120 -5.711 -5.385 1.00 0.00 C ATOM 756 CG ASP A 53 3.821 -6.352 -6.585 1.00 0.00 C ATOM 757 OD1 ASP A 53 4.722 -7.183 -6.339 1.00 0.00 O ATOM 758 OD2 ASP A 53 3.440 -5.996 -7.721 1.00 0.00 O ATOM 0 H ASP A 53 2.037 -5.669 -3.020 1.00 0.00 H new ATOM 0 HA ASP A 53 4.564 -6.690 -4.124 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.124 -6.144 -5.291 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.987 -4.648 -5.586 1.00 0.00 H new ATOM 763 N LEU A 54 5.848 -4.660 -3.451 1.00 0.00 N ATOM 764 CA LEU A 54 6.648 -3.488 -3.136 1.00 0.00 C ATOM 765 C LEU A 54 7.634 -3.228 -4.277 1.00 0.00 C ATOM 766 O LEU A 54 8.429 -4.099 -4.625 1.00 0.00 O ATOM 767 CB LEU A 54 7.317 -3.647 -1.769 1.00 0.00 C ATOM 768 CG LEU A 54 8.395 -2.617 -1.426 1.00 0.00 C ATOM 769 CD1 LEU A 54 7.797 -1.429 -0.670 1.00 0.00 C ATOM 770 CD2 LEU A 54 9.547 -3.266 -0.656 1.00 0.00 C ATOM 0 H LEU A 54 6.358 -5.543 -3.428 1.00 0.00 H new ATOM 0 HA LEU A 54 6.014 -2.605 -3.054 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.544 -3.604 -1.001 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.762 -4.641 -1.718 1.00 0.00 H new ATOM 0 HG LEU A 54 8.808 -2.230 -2.358 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.584 -0.712 -0.438 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.039 -0.949 -1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.341 -1.779 0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.300 -2.513 -0.424 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.168 -3.697 0.271 1.00 0.00 H new ATOM 0 HD23 LEU A 54 9.995 -4.051 -1.265 1.00 0.00 H new ATOM 782 N LYS A 55 7.550 -2.025 -4.826 1.00 0.00 N ATOM 783 CA LYS A 55 8.425 -1.639 -5.920 1.00 0.00 C ATOM 784 C LYS A 55 9.805 -1.286 -5.363 1.00 0.00 C ATOM 785 O LYS A 55 10.792 -1.953 -5.671 1.00 0.00 O ATOM 786 CB LYS A 55 7.789 -0.517 -6.744 1.00 0.00 C ATOM 787 CG LYS A 55 6.578 -1.030 -7.526 1.00 0.00 C ATOM 788 CD LYS A 55 6.784 -0.858 -9.032 1.00 0.00 C ATOM 789 CE LYS A 55 5.449 -0.915 -9.778 1.00 0.00 C ATOM 790 NZ LYS A 55 5.674 -1.103 -11.228 1.00 0.00 N ATOM 0 H LYS A 55 6.889 -1.305 -4.534 1.00 0.00 H new ATOM 0 HA LYS A 55 8.563 -2.472 -6.610 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.483 0.295 -6.084 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.525 -0.106 -7.435 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.412 -2.082 -7.296 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.684 -0.490 -7.214 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.274 0.095 -9.229 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.446 -1.640 -9.404 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.843 -1.733 -9.389 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.890 0.005 -9.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.758 -1.140 -11.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.234 -0.309 -11.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.188 -1.993 -11.387 1.00 0.00 H new ATOM 880 N PRO A 61 9.687 7.969 -2.463 1.00 0.00 N ATOM 881 CA PRO A 61 9.785 7.005 -1.379 1.00 0.00 C ATOM 882 C PRO A 61 9.365 5.610 -1.847 1.00 0.00 C ATOM 883 O PRO A 61 8.877 5.447 -2.964 1.00 0.00 O ATOM 884 CB PRO A 61 8.893 7.557 -0.280 1.00 0.00 C ATOM 885 CG PRO A 61 7.970 8.558 -0.955 1.00 0.00 C ATOM 886 CD PRO A 61 8.533 8.854 -2.336 1.00 0.00 C ATOM 0 HA PRO A 61 10.806 6.879 -1.019 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.323 6.760 0.197 1.00 0.00 H new ATOM 0 HB3 PRO A 61 9.485 8.036 0.500 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.961 8.154 -1.033 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.903 9.473 -0.366 1.00 0.00 H new ATOM 0 HD2 PRO A 61 7.796 8.658 -3.115 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.824 9.900 -2.429 1.00 0.00 H new ATOM 894 N PRO A 62 9.576 4.614 -0.945 1.00 0.00 N ATOM 895 CA PRO A 62 9.224 3.238 -1.254 1.00 0.00 C ATOM 896 C PRO A 62 7.710 3.030 -1.182 1.00 0.00 C ATOM 897 O PRO A 62 7.085 3.339 -0.169 1.00 0.00 O ATOM 898 CB PRO A 62 9.988 2.401 -0.241 1.00 0.00 C ATOM 899 CG PRO A 62 10.368 3.350 0.883 1.00 0.00 C ATOM 900 CD PRO A 62 10.152 4.770 0.387 1.00 0.00 C ATOM 0 HA PRO A 62 9.493 2.952 -2.271 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.373 1.581 0.131 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.875 1.955 -0.692 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.760 3.158 1.767 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.408 3.201 1.173 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.482 5.322 1.046 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.090 5.324 0.350 1.00 0.00 H new ATOM 908 N PHE A 63 7.165 2.508 -2.271 1.00 0.00 N ATOM 909 CA PHE A 63 5.736 2.254 -2.344 1.00 0.00 C ATOM 910 C PHE A 63 5.455 0.784 -2.662 1.00 0.00 C ATOM 911 O PHE A 63 6.288 0.105 -3.261 1.00 0.00 O ATOM 912 CB PHE A 63 5.185 3.123 -3.476 1.00 0.00 C ATOM 913 CG PHE A 63 5.918 2.948 -4.808 1.00 0.00 C ATOM 914 CD1 PHE A 63 7.140 3.517 -4.992 1.00 0.00 C ATOM 915 CD2 PHE A 63 5.349 2.223 -5.808 1.00 0.00 C ATOM 916 CE1 PHE A 63 7.820 3.355 -6.227 1.00 0.00 C ATOM 917 CE2 PHE A 63 6.029 2.061 -7.044 1.00 0.00 C ATOM 918 CZ PHE A 63 7.250 2.630 -7.227 1.00 0.00 C ATOM 0 H PHE A 63 7.687 2.254 -3.110 1.00 0.00 H new ATOM 0 HA PHE A 63 5.268 2.486 -1.388 1.00 0.00 H new ATOM 0 HB2 PHE A 63 4.130 2.889 -3.620 1.00 0.00 H new ATOM 0 HB3 PHE A 63 5.241 4.170 -3.177 1.00 0.00 H new ATOM 0 HD1 PHE A 63 7.593 4.092 -4.198 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.379 1.770 -5.662 1.00 0.00 H new ATOM 0 HE1 PHE A 63 8.790 3.807 -6.373 1.00 0.00 H new ATOM 0 HE2 PHE A 63 5.576 1.486 -7.838 1.00 0.00 H new ATOM 0 HZ PHE A 63 7.768 2.506 -8.167 1.00 0.00 H new ATOM 928 N ALA A 64 4.279 0.336 -2.248 1.00 0.00 N ATOM 929 CA ALA A 64 3.878 -1.041 -2.481 1.00 0.00 C ATOM 930 C ALA A 64 2.354 -1.112 -2.587 1.00 0.00 C ATOM 931 O ALA A 64 1.656 -0.178 -2.196 1.00 0.00 O ATOM 932 CB ALA A 64 4.427 -1.929 -1.363 1.00 0.00 C ATOM 0 H ALA A 64 3.591 0.902 -1.752 1.00 0.00 H new ATOM 0 HA ALA A 64 4.291 -1.408 -3.421 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.126 -2.962 -1.538 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.515 -1.865 -1.349 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.032 -1.593 -0.404 1.00 0.00 H new ATOM 938 N PHE A 65 1.881 -2.230 -3.119 1.00 0.00 N ATOM 939 CA PHE A 65 0.452 -2.436 -3.282 1.00 0.00 C ATOM 940 C PHE A 65 -0.020 -3.655 -2.486 1.00 0.00 C ATOM 941 O PHE A 65 0.337 -4.787 -2.807 1.00 0.00 O ATOM 942 CB PHE A 65 0.203 -2.686 -4.770 1.00 0.00 C ATOM 943 CG PHE A 65 0.105 -1.409 -5.608 1.00 0.00 C ATOM 944 CD1 PHE A 65 -1.093 -0.782 -5.754 1.00 0.00 C ATOM 945 CD2 PHE A 65 1.216 -0.902 -6.206 1.00 0.00 C ATOM 946 CE1 PHE A 65 -1.183 0.403 -6.531 1.00 0.00 C ATOM 947 CE2 PHE A 65 1.125 0.283 -6.983 1.00 0.00 C ATOM 948 CZ PHE A 65 -0.073 0.911 -7.129 1.00 0.00 C ATOM 0 H PHE A 65 2.463 -3.003 -3.443 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.093 -1.565 -2.919 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.009 -3.306 -5.164 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.720 -3.254 -4.883 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -1.975 -1.185 -5.279 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.167 -1.400 -6.090 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.134 0.901 -6.647 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.007 0.686 -7.458 1.00 0.00 H new ATOM 0 HZ PHE A 65 -0.142 1.813 -7.720 1.00 0.00 H new ATOM 958 N VAL A 66 -0.817 -3.381 -1.463 1.00 0.00 N ATOM 959 CA VAL A 66 -1.342 -4.441 -0.620 1.00 0.00 C ATOM 960 C VAL A 66 -2.693 -4.902 -1.169 1.00 0.00 C ATOM 961 O VAL A 66 -3.517 -4.082 -1.571 1.00 0.00 O ATOM 962 CB VAL A 66 -1.418 -3.965 0.832 1.00 0.00 C ATOM 963 CG1 VAL A 66 -1.706 -5.133 1.778 1.00 0.00 C ATOM 964 CG2 VAL A 66 -0.137 -3.233 1.237 1.00 0.00 C ATOM 0 H VAL A 66 -1.111 -2.441 -1.199 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.675 -5.303 -0.631 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.245 -3.260 0.910 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.755 -4.767 2.804 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.658 -5.592 1.511 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.911 -5.873 1.695 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.217 -2.905 2.273 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.714 -3.906 1.134 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.006 -2.366 0.592 1.00 0.00 H new ATOM 974 N GLU A 67 -2.879 -6.214 -1.170 1.00 0.00 N ATOM 975 CA GLU A 67 -4.117 -6.794 -1.664 1.00 0.00 C ATOM 976 C GLU A 67 -4.834 -7.548 -0.542 1.00 0.00 C ATOM 977 O GLU A 67 -4.300 -8.511 0.005 1.00 0.00 O ATOM 978 CB GLU A 67 -3.853 -7.712 -2.859 1.00 0.00 C ATOM 979 CG GLU A 67 -5.165 -8.222 -3.458 1.00 0.00 C ATOM 980 CD GLU A 67 -5.212 -7.975 -4.967 1.00 0.00 C ATOM 981 OE1 GLU A 67 -4.269 -8.435 -5.647 1.00 0.00 O ATOM 982 OE2 GLU A 67 -6.189 -7.331 -5.407 1.00 0.00 O ATOM 0 H GLU A 67 -2.193 -6.892 -0.837 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.764 -5.986 -2.004 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.288 -7.172 -3.619 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.240 -8.557 -2.545 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.270 -9.288 -3.257 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.006 -7.722 -2.978 1.00 0.00 H new ATOM 989 N PHE A 68 -6.035 -7.080 -0.232 1.00 0.00 N ATOM 990 CA PHE A 68 -6.831 -7.698 0.815 1.00 0.00 C ATOM 991 C PHE A 68 -7.771 -8.757 0.236 1.00 0.00 C ATOM 992 O PHE A 68 -8.110 -8.712 -0.946 1.00 0.00 O ATOM 993 CB PHE A 68 -7.667 -6.587 1.455 1.00 0.00 C ATOM 994 CG PHE A 68 -7.006 -5.934 2.670 1.00 0.00 C ATOM 995 CD1 PHE A 68 -7.013 -6.570 3.872 1.00 0.00 C ATOM 996 CD2 PHE A 68 -6.411 -4.716 2.549 1.00 0.00 C ATOM 997 CE1 PHE A 68 -6.399 -5.963 5.000 1.00 0.00 C ATOM 998 CE2 PHE A 68 -5.798 -4.110 3.677 1.00 0.00 C ATOM 999 CZ PHE A 68 -5.805 -4.746 4.879 1.00 0.00 C ATOM 0 H PHE A 68 -6.476 -6.281 -0.687 1.00 0.00 H new ATOM 0 HA PHE A 68 -6.179 -8.186 1.539 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.867 -5.820 0.707 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -8.631 -6.998 1.756 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.485 -7.536 3.969 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.405 -4.210 1.595 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.404 -6.469 5.954 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.326 -3.143 3.580 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.339 -4.285 5.737 1.00 0.00 H new ATOM 1009 N GLU A 69 -8.165 -9.685 1.095 1.00 0.00 N ATOM 1010 CA GLU A 69 -9.059 -10.754 0.684 1.00 0.00 C ATOM 1011 C GLU A 69 -10.446 -10.193 0.361 1.00 0.00 C ATOM 1012 O GLU A 69 -11.026 -10.518 -0.673 1.00 0.00 O ATOM 1013 CB GLU A 69 -9.144 -11.842 1.757 1.00 0.00 C ATOM 1014 CG GLU A 69 -7.902 -12.735 1.731 1.00 0.00 C ATOM 1015 CD GLU A 69 -7.929 -13.678 0.527 1.00 0.00 C ATOM 1016 OE1 GLU A 69 -7.713 -13.171 -0.595 1.00 0.00 O ATOM 1017 OE2 GLU A 69 -8.165 -14.884 0.755 1.00 0.00 O ATOM 0 H GLU A 69 -7.882 -9.719 2.074 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.654 -11.211 -0.219 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.245 -11.382 2.740 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.036 -12.448 1.596 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.006 -12.116 1.692 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.849 -13.316 2.651 1.00 0.00 H new ATOM 1024 N ASP A 70 -10.936 -9.358 1.267 1.00 0.00 N ATOM 1025 CA ASP A 70 -12.243 -8.748 1.092 1.00 0.00 C ATOM 1026 C ASP A 70 -12.073 -7.244 0.872 1.00 0.00 C ATOM 1027 O ASP A 70 -11.075 -6.660 1.291 1.00 0.00 O ATOM 1028 CB ASP A 70 -13.115 -8.950 2.332 1.00 0.00 C ATOM 1029 CG ASP A 70 -13.998 -10.199 2.306 1.00 0.00 C ATOM 1030 OD1 ASP A 70 -13.469 -11.260 1.911 1.00 0.00 O ATOM 1031 OD2 ASP A 70 -15.183 -10.064 2.682 1.00 0.00 O ATOM 0 H ASP A 70 -10.451 -9.090 2.124 1.00 0.00 H new ATOM 0 HA ASP A 70 -12.723 -9.218 0.234 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -12.468 -8.999 3.208 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -13.753 -8.075 2.455 1.00 0.00 H new ATOM 1036 N PRO A 71 -13.091 -6.643 0.199 1.00 0.00 N ATOM 1037 CA PRO A 71 -13.064 -5.218 -0.082 1.00 0.00 C ATOM 1038 C PRO A 71 -13.372 -4.405 1.178 1.00 0.00 C ATOM 1039 O PRO A 71 -12.655 -3.461 1.503 1.00 0.00 O ATOM 1040 CB PRO A 71 -14.089 -5.014 -1.185 1.00 0.00 C ATOM 1041 CG PRO A 71 -14.980 -6.246 -1.159 1.00 0.00 C ATOM 1042 CD PRO A 71 -14.289 -7.303 -0.312 1.00 0.00 C ATOM 0 HA PRO A 71 -12.081 -4.871 -0.401 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -14.670 -4.108 -1.015 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -13.603 -4.904 -2.154 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -15.957 -6.002 -0.742 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -15.148 -6.617 -2.170 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -14.932 -7.642 0.501 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -14.035 -8.182 -0.905 1.00 0.00 H new ATOM 1050 N ARG A 72 -14.441 -4.803 1.853 1.00 0.00 N ATOM 1051 CA ARG A 72 -14.853 -4.124 3.069 1.00 0.00 C ATOM 1052 C ARG A 72 -13.628 -3.720 3.893 1.00 0.00 C ATOM 1053 O ARG A 72 -13.454 -2.547 4.218 1.00 0.00 O ATOM 1054 CB ARG A 72 -15.759 -5.017 3.919 1.00 0.00 C ATOM 1055 CG ARG A 72 -17.078 -5.304 3.199 1.00 0.00 C ATOM 1056 CD ARG A 72 -18.162 -5.731 4.190 1.00 0.00 C ATOM 1057 NE ARG A 72 -19.344 -6.241 3.459 1.00 0.00 N ATOM 1058 CZ ARG A 72 -20.536 -6.470 4.025 1.00 0.00 C ATOM 1059 NH1 ARG A 72 -20.713 -6.236 5.332 1.00 0.00 N ATOM 1060 NH2 ARG A 72 -21.552 -6.933 3.284 1.00 0.00 N ATOM 0 H ARG A 72 -15.034 -5.587 1.580 1.00 0.00 H new ATOM 0 HA ARG A 72 -15.410 -3.233 2.779 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -15.249 -5.955 4.138 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -15.960 -4.533 4.874 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -17.403 -4.414 2.660 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -16.928 -6.089 2.458 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -17.775 -6.503 4.855 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -18.448 -4.885 4.815 1.00 0.00 H new ATOM 0 HE ARG A 72 -19.244 -6.430 2.462 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -19.940 -5.883 5.896 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -21.621 -6.410 5.763 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -21.418 -7.111 2.289 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -22.460 -7.107 3.715 1.00 0.00 H new ATOM 1074 N ASP A 73 -12.812 -4.715 4.206 1.00 0.00 N ATOM 1075 CA ASP A 73 -11.609 -4.479 4.986 1.00 0.00 C ATOM 1076 C ASP A 73 -10.645 -3.609 4.176 1.00 0.00 C ATOM 1077 O ASP A 73 -10.132 -2.611 4.680 1.00 0.00 O ATOM 1078 CB ASP A 73 -10.898 -5.794 5.314 1.00 0.00 C ATOM 1079 CG ASP A 73 -9.997 -5.751 6.550 1.00 0.00 C ATOM 1080 OD1 ASP A 73 -10.563 -5.758 7.665 1.00 0.00 O ATOM 1081 OD2 ASP A 73 -8.764 -5.711 6.352 1.00 0.00 O ATOM 0 H ASP A 73 -12.960 -5.687 3.934 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.899 -3.986 5.914 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -11.650 -6.570 5.458 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.296 -6.089 4.454 1.00 0.00 H new ATOM 1086 N ALA A 74 -10.427 -4.020 2.936 1.00 0.00 N ATOM 1087 CA ALA A 74 -9.534 -3.290 2.052 1.00 0.00 C ATOM 1088 C ALA A 74 -9.829 -1.793 2.157 1.00 0.00 C ATOM 1089 O ALA A 74 -8.920 -0.970 2.072 1.00 0.00 O ATOM 1090 CB ALA A 74 -9.688 -3.816 0.623 1.00 0.00 C ATOM 0 H ALA A 74 -10.853 -4.849 2.522 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.495 -3.442 2.346 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.018 -3.269 -0.040 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.438 -4.877 0.597 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.718 -3.678 0.293 1.00 0.00 H new ATOM 1096 N GLU A 75 -11.105 -1.486 2.342 1.00 0.00 N ATOM 1097 CA GLU A 75 -11.532 -0.102 2.460 1.00 0.00 C ATOM 1098 C GLU A 75 -11.270 0.415 3.876 1.00 0.00 C ATOM 1099 O GLU A 75 -10.534 1.384 4.061 1.00 0.00 O ATOM 1100 CB GLU A 75 -13.007 0.051 2.085 1.00 0.00 C ATOM 1101 CG GLU A 75 -13.297 -0.592 0.727 1.00 0.00 C ATOM 1102 CD GLU A 75 -14.339 0.214 -0.050 1.00 0.00 C ATOM 1103 OE1 GLU A 75 -15.472 0.324 0.466 1.00 0.00 O ATOM 1104 OE2 GLU A 75 -13.979 0.703 -1.143 1.00 0.00 O ATOM 0 H GLU A 75 -11.857 -2.172 2.413 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.950 0.498 1.761 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -13.630 -0.411 2.851 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -13.270 1.108 2.054 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -12.376 -0.657 0.147 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -13.655 -1.611 0.872 1.00 0.00 H new ATOM 1111 N ASP A 76 -11.886 -0.254 4.840 1.00 0.00 N ATOM 1112 CA ASP A 76 -11.729 0.126 6.233 1.00 0.00 C ATOM 1113 C ASP A 76 -10.246 0.357 6.530 1.00 0.00 C ATOM 1114 O ASP A 76 -9.902 1.110 7.441 1.00 0.00 O ATOM 1115 CB ASP A 76 -12.232 -0.978 7.165 1.00 0.00 C ATOM 1116 CG ASP A 76 -13.744 -0.994 7.393 1.00 0.00 C ATOM 1117 OD1 ASP A 76 -14.301 0.108 7.583 1.00 0.00 O ATOM 1118 OD2 ASP A 76 -14.310 -2.109 7.370 1.00 0.00 O ATOM 0 H ASP A 76 -12.495 -1.057 4.683 1.00 0.00 H new ATOM 0 HA ASP A 76 -12.309 1.033 6.403 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.931 -1.943 6.756 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -11.736 -0.872 8.130 1.00 0.00 H new ATOM 1123 N ALA A 77 -9.408 -0.303 5.745 1.00 0.00 N ATOM 1124 CA ALA A 77 -7.970 -0.179 5.913 1.00 0.00 C ATOM 1125 C ALA A 77 -7.495 1.120 5.258 1.00 0.00 C ATOM 1126 O ALA A 77 -7.067 2.045 5.947 1.00 0.00 O ATOM 1127 CB ALA A 77 -7.280 -1.413 5.328 1.00 0.00 C ATOM 0 H ALA A 77 -9.697 -0.926 4.991 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.709 -0.130 6.970 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.201 -1.321 5.454 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.631 -2.306 5.846 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.516 -1.493 4.267 1.00 0.00 H new ATOM 1133 N VAL A 78 -7.587 1.148 3.937 1.00 0.00 N ATOM 1134 CA VAL A 78 -7.172 2.318 3.182 1.00 0.00 C ATOM 1135 C VAL A 78 -7.749 3.574 3.839 1.00 0.00 C ATOM 1136 O VAL A 78 -7.129 4.636 3.806 1.00 0.00 O ATOM 1137 CB VAL A 78 -7.583 2.168 1.716 1.00 0.00 C ATOM 1138 CG1 VAL A 78 -8.999 2.700 1.486 1.00 0.00 C ATOM 1139 CG2 VAL A 78 -6.580 2.861 0.792 1.00 0.00 C ATOM 0 H VAL A 78 -7.943 0.379 3.370 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.086 2.414 3.193 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.582 1.105 1.475 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -9.266 2.581 0.436 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.702 2.142 2.105 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.039 3.756 1.753 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.896 2.739 -0.244 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.535 3.923 1.035 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.594 2.416 0.926 1.00 0.00 H new ATOM 1149 N TYR A 79 -8.928 3.410 4.421 1.00 0.00 N ATOM 1150 CA TYR A 79 -9.595 4.518 5.085 1.00 0.00 C ATOM 1151 C TYR A 79 -8.844 4.929 6.353 1.00 0.00 C ATOM 1152 O TYR A 79 -8.523 6.103 6.535 1.00 0.00 O ATOM 1153 CB TYR A 79 -10.982 4.003 5.472 1.00 0.00 C ATOM 1154 CG TYR A 79 -11.931 3.817 4.286 1.00 0.00 C ATOM 1155 CD1 TYR A 79 -11.481 4.042 3.001 1.00 0.00 C ATOM 1156 CD2 TYR A 79 -13.236 3.425 4.502 1.00 0.00 C ATOM 1157 CE1 TYR A 79 -12.373 3.867 1.885 1.00 0.00 C ATOM 1158 CE2 TYR A 79 -14.129 3.250 3.385 1.00 0.00 C ATOM 1159 CZ TYR A 79 -13.653 3.479 2.132 1.00 0.00 C ATOM 1160 OH TYR A 79 -14.496 3.314 1.078 1.00 0.00 O ATOM 0 H TYR A 79 -9.438 2.527 4.447 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.640 5.388 4.430 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -10.873 3.050 5.990 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -11.433 4.700 6.179 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -10.459 4.349 2.833 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -13.588 3.249 5.508 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -12.034 4.040 0.874 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -15.153 2.944 3.539 1.00 0.00 H new ATOM 0 HH TYR A 79 -15.377 3.034 1.404 1.00 0.00 H new ATOM 1170 N GLY A 80 -8.586 3.941 7.196 1.00 0.00 N ATOM 1171 CA GLY A 80 -7.879 4.186 8.442 1.00 0.00 C ATOM 1172 C GLY A 80 -6.383 4.387 8.193 1.00 0.00 C ATOM 1173 O GLY A 80 -5.862 5.487 8.372 1.00 0.00 O ATOM 0 H GLY A 80 -8.854 2.969 7.041 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.292 5.068 8.931 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.029 3.346 9.121 1.00 0.00 H new ATOM 1177 N ARG A 81 -5.733 3.307 7.784 1.00 0.00 N ATOM 1178 CA ARG A 81 -4.307 3.351 7.509 1.00 0.00 C ATOM 1179 C ARG A 81 -3.930 4.691 6.876 1.00 0.00 C ATOM 1180 O ARG A 81 -2.886 5.260 7.192 1.00 0.00 O ATOM 1181 CB ARG A 81 -3.892 2.216 6.570 1.00 0.00 C ATOM 1182 CG ARG A 81 -3.697 0.909 7.342 1.00 0.00 C ATOM 1183 CD ARG A 81 -2.455 0.979 8.233 1.00 0.00 C ATOM 1184 NE ARG A 81 -1.232 0.918 7.403 1.00 0.00 N ATOM 1185 CZ ARG A 81 -0.613 1.993 6.895 1.00 0.00 C ATOM 1186 NH1 ARG A 81 -1.100 3.219 7.131 1.00 0.00 N ATOM 1187 NH2 ARG A 81 0.492 1.842 6.153 1.00 0.00 N ATOM 0 H ARG A 81 -6.168 2.396 7.636 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.782 3.233 8.457 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.653 2.079 5.801 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.967 2.482 6.059 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.577 0.709 7.953 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -3.600 0.080 6.641 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.465 1.902 8.813 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.462 0.154 8.946 1.00 0.00 H new ATOM 0 HE ARG A 81 -0.835 -0.000 7.205 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.941 3.334 7.697 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -0.630 4.038 6.745 1.00 0.00 H new ATOM 0 HH21 ARG A 81 0.863 0.909 5.974 1.00 0.00 H new ATOM 0 HH22 ARG A 81 0.963 2.660 5.767 1.00 0.00 H new ATOM 1201 N ASP A 82 -4.800 5.158 5.992 1.00 0.00 N ATOM 1202 CA ASP A 82 -4.571 6.421 5.311 1.00 0.00 C ATOM 1203 C ASP A 82 -4.340 7.520 6.350 1.00 0.00 C ATOM 1204 O ASP A 82 -5.288 8.159 6.804 1.00 0.00 O ATOM 1205 CB ASP A 82 -5.782 6.817 4.464 1.00 0.00 C ATOM 1206 CG ASP A 82 -5.920 8.317 4.196 1.00 0.00 C ATOM 1207 OD1 ASP A 82 -5.001 8.865 3.550 1.00 0.00 O ATOM 1208 OD2 ASP A 82 -6.942 8.882 4.643 1.00 0.00 O ATOM 0 H ASP A 82 -5.665 4.684 5.732 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.702 6.303 4.664 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.724 6.296 3.508 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -6.686 6.468 4.963 1.00 0.00 H new ATOM 1213 N GLY A 83 -3.075 7.708 6.695 1.00 0.00 N ATOM 1214 CA GLY A 83 -2.707 8.719 7.671 1.00 0.00 C ATOM 1215 C GLY A 83 -2.257 8.076 8.984 1.00 0.00 C ATOM 1216 O GLY A 83 -2.547 8.591 10.063 1.00 0.00 O ATOM 0 H GLY A 83 -2.291 7.177 6.316 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -1.904 9.339 7.272 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.556 9.377 7.856 1.00 0.00 H new ATOM 1220 N TYR A 84 -1.557 6.959 8.849 1.00 0.00 N ATOM 1221 CA TYR A 84 -1.064 6.240 10.012 1.00 0.00 C ATOM 1222 C TYR A 84 0.348 6.698 10.382 1.00 0.00 C ATOM 1223 O TYR A 84 0.998 7.404 9.612 1.00 0.00 O ATOM 1224 CB TYR A 84 -1.019 4.765 9.607 1.00 0.00 C ATOM 1225 CG TYR A 84 -0.560 3.827 10.725 1.00 0.00 C ATOM 1226 CD1 TYR A 84 -1.394 3.566 11.793 1.00 0.00 C ATOM 1227 CD2 TYR A 84 0.688 3.242 10.666 1.00 0.00 C ATOM 1228 CE1 TYR A 84 -0.962 2.683 12.846 1.00 0.00 C ATOM 1229 CE2 TYR A 84 1.120 2.359 11.718 1.00 0.00 C ATOM 1230 CZ TYR A 84 0.274 2.123 12.756 1.00 0.00 C ATOM 1231 OH TYR A 84 0.681 1.289 13.750 1.00 0.00 O ATOM 0 H TYR A 84 -1.320 6.534 7.953 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.707 6.418 10.874 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -2.011 4.460 9.275 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.349 4.653 8.755 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -2.371 4.024 11.839 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.341 3.446 9.831 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -1.605 2.471 13.687 1.00 0.00 H new ATOM 0 HE2 TYR A 84 2.094 1.894 11.683 1.00 0.00 H new ATOM 0 HH TYR A 84 1.584 0.962 13.553 1.00 0.00 H new ATOM 1241 N ASP A 85 0.782 6.279 11.562 1.00 0.00 N ATOM 1242 CA ASP A 85 2.105 6.637 12.044 1.00 0.00 C ATOM 1243 C ASP A 85 2.882 5.363 12.382 1.00 0.00 C ATOM 1244 O ASP A 85 2.542 4.659 13.332 1.00 0.00 O ATOM 1245 CB ASP A 85 2.017 7.489 13.312 1.00 0.00 C ATOM 1246 CG ASP A 85 3.318 7.596 14.110 1.00 0.00 C ATOM 1247 OD1 ASP A 85 3.522 6.725 14.983 1.00 0.00 O ATOM 1248 OD2 ASP A 85 4.079 8.547 13.828 1.00 0.00 O ATOM 0 H ASP A 85 0.240 5.695 12.199 1.00 0.00 H new ATOM 0 HA ASP A 85 2.607 7.206 11.262 1.00 0.00 H new ATOM 0 HB2 ASP A 85 1.694 8.493 13.036 1.00 0.00 H new ATOM 0 HB3 ASP A 85 1.245 7.073 13.959 1.00 0.00 H new ATOM 1253 N TYR A 86 3.910 5.107 11.587 1.00 0.00 N ATOM 1254 CA TYR A 86 4.738 3.930 11.791 1.00 0.00 C ATOM 1255 C TYR A 86 6.091 4.310 12.397 1.00 0.00 C ATOM 1256 O TYR A 86 7.013 4.690 11.677 1.00 0.00 O ATOM 1257 CB TYR A 86 4.965 3.329 10.403 1.00 0.00 C ATOM 1258 CG TYR A 86 5.757 2.020 10.414 1.00 0.00 C ATOM 1259 CD1 TYR A 86 7.137 2.048 10.417 1.00 0.00 C ATOM 1260 CD2 TYR A 86 5.092 0.810 10.420 1.00 0.00 C ATOM 1261 CE1 TYR A 86 7.883 0.816 10.427 1.00 0.00 C ATOM 1262 CE2 TYR A 86 5.838 -0.422 10.431 1.00 0.00 C ATOM 1263 CZ TYR A 86 7.196 -0.358 10.433 1.00 0.00 C ATOM 1264 OH TYR A 86 7.900 -1.521 10.443 1.00 0.00 O ATOM 0 H TYR A 86 4.189 5.694 10.801 1.00 0.00 H new ATOM 0 HA TYR A 86 4.253 3.233 12.474 1.00 0.00 H new ATOM 0 HB2 TYR A 86 3.998 3.153 9.932 1.00 0.00 H new ATOM 0 HB3 TYR A 86 5.493 4.056 9.785 1.00 0.00 H new ATOM 0 HD1 TYR A 86 7.658 2.994 10.412 1.00 0.00 H new ATOM 0 HD2 TYR A 86 4.012 0.787 10.416 1.00 0.00 H new ATOM 0 HE1 TYR A 86 8.963 0.824 10.430 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.330 -1.375 10.438 1.00 0.00 H new ATOM 0 HH TYR A 86 7.581 -2.090 11.174 1.00 0.00 H new ATOM 1274 N ASP A 87 6.167 4.194 13.714 1.00 0.00 N ATOM 1275 CA ASP A 87 7.391 4.520 14.425 1.00 0.00 C ATOM 1276 C ASP A 87 7.766 5.977 14.145 1.00 0.00 C ATOM 1277 O ASP A 87 8.943 6.334 14.165 1.00 0.00 O ATOM 1278 CB ASP A 87 8.550 3.636 13.960 1.00 0.00 C ATOM 1279 CG ASP A 87 9.574 3.289 15.043 1.00 0.00 C ATOM 1280 OD1 ASP A 87 9.269 2.376 15.840 1.00 0.00 O ATOM 1281 OD2 ASP A 87 10.638 3.945 15.050 1.00 0.00 O ATOM 0 H ASP A 87 5.400 3.878 14.308 1.00 0.00 H new ATOM 0 HA ASP A 87 7.217 4.357 15.489 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.141 2.709 13.557 1.00 0.00 H new ATOM 0 HB3 ASP A 87 9.065 4.139 13.142 1.00 0.00 H new ATOM 1286 N GLY A 88 6.743 6.779 13.890 1.00 0.00 N ATOM 1287 CA GLY A 88 6.950 8.189 13.605 1.00 0.00 C ATOM 1288 C GLY A 88 6.789 8.476 12.111 1.00 0.00 C ATOM 1289 O GLY A 88 6.329 9.551 11.728 1.00 0.00 O ATOM 0 H GLY A 88 5.768 6.479 13.875 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.237 8.787 14.173 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.947 8.487 13.931 1.00 0.00 H new ATOM 1293 N TYR A 89 7.176 7.496 11.308 1.00 0.00 N ATOM 1294 CA TYR A 89 7.080 7.631 9.864 1.00 0.00 C ATOM 1295 C TYR A 89 5.621 7.602 9.406 1.00 0.00 C ATOM 1296 O TYR A 89 4.972 6.558 9.456 1.00 0.00 O ATOM 1297 CB TYR A 89 7.810 6.420 9.279 1.00 0.00 C ATOM 1298 CG TYR A 89 9.313 6.402 9.564 1.00 0.00 C ATOM 1299 CD1 TYR A 89 9.786 5.856 10.740 1.00 0.00 C ATOM 1300 CD2 TYR A 89 10.196 6.931 8.645 1.00 0.00 C ATOM 1301 CE1 TYR A 89 11.201 5.839 11.008 1.00 0.00 C ATOM 1302 CE2 TYR A 89 11.611 6.914 8.913 1.00 0.00 C ATOM 1303 CZ TYR A 89 12.043 6.369 10.081 1.00 0.00 C ATOM 1304 OH TYR A 89 13.380 6.353 10.335 1.00 0.00 O ATOM 0 H TYR A 89 7.556 6.606 11.629 1.00 0.00 H new ATOM 0 HA TYR A 89 7.511 8.578 9.537 1.00 0.00 H new ATOM 0 HB2 TYR A 89 7.363 5.511 9.681 1.00 0.00 H new ATOM 0 HB3 TYR A 89 7.655 6.401 8.200 1.00 0.00 H new ATOM 0 HD1 TYR A 89 9.095 5.442 11.459 1.00 0.00 H new ATOM 0 HD2 TYR A 89 9.826 7.358 7.725 1.00 0.00 H new ATOM 0 HE1 TYR A 89 11.585 5.415 11.924 1.00 0.00 H new ATOM 0 HE2 TYR A 89 12.313 7.325 8.202 1.00 0.00 H new ATOM 0 HH TYR A 89 13.860 6.764 9.586 1.00 0.00 H new ATOM 1314 N ARG A 90 5.148 8.760 8.970 1.00 0.00 N ATOM 1315 CA ARG A 90 3.777 8.880 8.504 1.00 0.00 C ATOM 1316 C ARG A 90 3.618 8.204 7.141 1.00 0.00 C ATOM 1317 O ARG A 90 4.369 8.491 6.210 1.00 0.00 O ATOM 1318 CB ARG A 90 3.361 10.348 8.388 1.00 0.00 C ATOM 1319 CG ARG A 90 2.545 10.785 9.606 1.00 0.00 C ATOM 1320 CD ARG A 90 1.142 11.236 9.193 1.00 0.00 C ATOM 1321 NE ARG A 90 0.163 10.869 10.240 1.00 0.00 N ATOM 1322 CZ ARG A 90 0.117 11.431 11.456 1.00 0.00 C ATOM 1323 NH1 ARG A 90 0.993 12.390 11.784 1.00 0.00 N ATOM 1324 NH2 ARG A 90 -0.807 11.035 12.342 1.00 0.00 N ATOM 0 H ARG A 90 5.690 9.623 8.930 1.00 0.00 H new ATOM 0 HA ARG A 90 3.135 8.388 9.235 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.248 10.975 8.296 1.00 0.00 H new ATOM 0 HB3 ARG A 90 2.773 10.493 7.481 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.472 9.960 10.314 1.00 0.00 H new ATOM 0 HG3 ARG A 90 3.057 11.600 10.118 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.130 12.314 9.034 1.00 0.00 H new ATOM 0 HD3 ARG A 90 0.866 10.771 8.246 1.00 0.00 H new ATOM 0 HE ARG A 90 -0.520 10.143 10.023 1.00 0.00 H new ATOM 0 HH11 ARG A 90 1.695 12.692 11.108 1.00 0.00 H new ATOM 0 HH12 ARG A 90 0.958 12.818 12.709 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -1.475 10.306 12.091 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -0.842 11.462 13.267 1.00 0.00 H new ATOM 1338 N LEU A 91 2.636 7.317 7.066 1.00 0.00 N ATOM 1339 CA LEU A 91 2.370 6.597 5.832 1.00 0.00 C ATOM 1340 C LEU A 91 1.218 7.277 5.089 1.00 0.00 C ATOM 1341 O LEU A 91 0.453 8.035 5.683 1.00 0.00 O ATOM 1342 CB LEU A 91 2.127 5.114 6.119 1.00 0.00 C ATOM 1343 CG LEU A 91 3.122 4.442 7.067 1.00 0.00 C ATOM 1344 CD1 LEU A 91 2.702 3.003 7.373 1.00 0.00 C ATOM 1345 CD2 LEU A 91 4.546 4.517 6.510 1.00 0.00 C ATOM 0 H LEU A 91 2.015 7.081 7.840 1.00 0.00 H new ATOM 0 HA LEU A 91 3.239 6.632 5.175 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.126 5.005 6.537 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.137 4.575 5.172 1.00 0.00 H new ATOM 0 HG LEU A 91 3.116 4.987 8.011 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.426 2.548 8.049 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.718 3.003 7.842 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.662 2.431 6.446 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.234 4.032 7.203 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.586 4.011 5.545 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.833 5.561 6.385 1.00 0.00 H new ATOM 1357 N ARG A 92 1.132 6.981 3.800 1.00 0.00 N ATOM 1358 CA ARG A 92 0.086 7.554 2.970 1.00 0.00 C ATOM 1359 C ARG A 92 -0.593 6.461 2.142 1.00 0.00 C ATOM 1360 O ARG A 92 -0.080 6.057 1.100 1.00 0.00 O ATOM 1361 CB ARG A 92 0.653 8.619 2.028 1.00 0.00 C ATOM 1362 CG ARG A 92 0.151 10.012 2.412 1.00 0.00 C ATOM 1363 CD ARG A 92 1.098 11.097 1.894 1.00 0.00 C ATOM 1364 NE ARG A 92 0.573 12.436 2.245 1.00 0.00 N ATOM 1365 CZ ARG A 92 -0.379 13.075 1.551 1.00 0.00 C ATOM 1366 NH1 ARG A 92 -0.917 12.501 0.466 1.00 0.00 N ATOM 1367 NH2 ARG A 92 -0.794 14.287 1.943 1.00 0.00 N ATOM 0 H ARG A 92 1.769 6.352 3.311 1.00 0.00 H new ATOM 0 HA ARG A 92 -0.644 8.020 3.631 1.00 0.00 H new ATOM 0 HB2 ARG A 92 1.742 8.598 2.063 1.00 0.00 H new ATOM 0 HB3 ARG A 92 0.363 8.394 1.002 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -0.847 10.169 2.002 1.00 0.00 H new ATOM 0 HG3 ARG A 92 0.066 10.086 3.496 1.00 0.00 H new ATOM 0 HD2 ARG A 92 2.090 10.962 2.325 1.00 0.00 H new ATOM 0 HD3 ARG A 92 1.206 11.011 0.813 1.00 0.00 H new ATOM 0 HE ARG A 92 0.960 12.901 3.066 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -0.602 11.578 0.168 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -1.642 12.987 -0.062 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -0.385 14.723 2.769 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -1.518 14.773 1.415 1.00 0.00 H new ATOM 1381 N VAL A 93 -1.737 6.013 2.638 1.00 0.00 N ATOM 1382 CA VAL A 93 -2.492 4.975 1.958 1.00 0.00 C ATOM 1383 C VAL A 93 -3.597 5.620 1.119 1.00 0.00 C ATOM 1384 O VAL A 93 -4.272 6.541 1.577 1.00 0.00 O ATOM 1385 CB VAL A 93 -3.027 3.965 2.975 1.00 0.00 C ATOM 1386 CG1 VAL A 93 -3.412 2.650 2.293 1.00 0.00 C ATOM 1387 CG2 VAL A 93 -2.012 3.724 4.095 1.00 0.00 C ATOM 0 H VAL A 93 -2.159 6.350 3.503 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.848 4.420 1.276 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.927 4.386 3.423 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.789 1.950 3.039 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -4.186 2.839 1.549 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.536 2.223 1.805 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.417 3.002 4.804 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.087 3.335 3.670 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.808 4.663 4.610 1.00 0.00 H new ATOM 1397 N GLU A 94 -3.748 5.111 -0.095 1.00 0.00 N ATOM 1398 CA GLU A 94 -4.760 5.626 -1.002 1.00 0.00 C ATOM 1399 C GLU A 94 -5.066 4.600 -2.094 1.00 0.00 C ATOM 1400 O GLU A 94 -4.225 3.762 -2.417 1.00 0.00 O ATOM 1401 CB GLU A 94 -4.322 6.960 -1.610 1.00 0.00 C ATOM 1402 CG GLU A 94 -3.045 6.794 -2.436 1.00 0.00 C ATOM 1403 CD GLU A 94 -1.966 7.779 -1.982 1.00 0.00 C ATOM 1404 OE1 GLU A 94 -2.046 8.948 -2.417 1.00 0.00 O ATOM 1405 OE2 GLU A 94 -1.085 7.341 -1.211 1.00 0.00 O ATOM 0 H GLU A 94 -3.186 4.347 -0.472 1.00 0.00 H new ATOM 0 HA GLU A 94 -5.673 5.805 -0.434 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -5.118 7.355 -2.241 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -4.154 7.688 -0.816 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.675 5.773 -2.339 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.267 6.953 -3.491 1.00 0.00 H new ATOM 1412 N PHE A 95 -6.272 4.698 -2.633 1.00 0.00 N ATOM 1413 CA PHE A 95 -6.699 3.788 -3.682 1.00 0.00 C ATOM 1414 C PHE A 95 -6.069 4.164 -5.024 1.00 0.00 C ATOM 1415 O PHE A 95 -5.784 5.334 -5.274 1.00 0.00 O ATOM 1416 CB PHE A 95 -8.220 3.916 -3.793 1.00 0.00 C ATOM 1417 CG PHE A 95 -8.993 2.948 -2.894 1.00 0.00 C ATOM 1418 CD1 PHE A 95 -8.599 1.651 -2.794 1.00 0.00 C ATOM 1419 CD2 PHE A 95 -10.075 3.386 -2.196 1.00 0.00 C ATOM 1420 CE1 PHE A 95 -9.316 0.753 -1.960 1.00 0.00 C ATOM 1421 CE2 PHE A 95 -10.792 2.488 -1.362 1.00 0.00 C ATOM 1422 CZ PHE A 95 -10.397 1.191 -1.262 1.00 0.00 C ATOM 0 H PHE A 95 -6.967 5.394 -2.363 1.00 0.00 H new ATOM 0 HA PHE A 95 -6.392 2.771 -3.439 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.508 4.937 -3.542 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.514 3.747 -4.829 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.740 1.303 -3.349 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -10.389 4.416 -2.276 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -9.003 -0.277 -1.880 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -11.651 2.835 -0.807 1.00 0.00 H new ATOM 0 HZ PHE A 95 -10.943 0.508 -0.628 1.00 0.00 H new ATOM 1432 N PRO A 96 -5.864 3.123 -5.875 1.00 0.00 N ATOM 1433 CA PRO A 96 -5.273 3.332 -7.186 1.00 0.00 C ATOM 1434 C PRO A 96 -6.280 3.965 -8.147 1.00 0.00 C ATOM 1435 O PRO A 96 -7.364 3.423 -8.362 1.00 0.00 O ATOM 1436 CB PRO A 96 -4.809 1.955 -7.632 1.00 0.00 C ATOM 1437 CG PRO A 96 -5.569 0.960 -6.771 1.00 0.00 C ATOM 1438 CD PRO A 96 -6.190 1.724 -5.613 1.00 0.00 C ATOM 0 HA PRO A 96 -4.437 4.031 -7.164 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.018 1.796 -8.690 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -3.733 1.844 -7.500 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -6.341 0.460 -7.356 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -4.898 0.185 -6.401 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -7.268 1.570 -5.570 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.782 1.395 -4.657 1.00 0.00 H new