USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 707 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 Set 1.1: A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 74 CYS SG : rot 117:sc= 0.285 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl 145:sc= -0.793 (180deg=-3.13!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 81:sc= 1.21 USER MOD Single : A 45 MET CE :methyl -165:sc= -0.248 (180deg=-0.451) USER MOD Single : A 47 LYS NZ :NH3+ -153:sc= 1.24 (180deg=1.09) USER MOD Single : A 49 LYS NZ :NH3+ -173:sc= 1.22 (180deg=1.12) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -136:sc= 0.752 (180deg=0.0289) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 164:sc= -0.0427 (180deg=-0.276) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0.737 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0.148 USER MOD Single : A 110 GLN : amide:sc= -0.485 X(o=-0.49,f=-0.31) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 280 N ILE A 18 -2.057 -7.472 12.988 1.00 0.00 N ATOM 281 CA ILE A 18 -3.007 -7.262 11.889 1.00 0.00 C ATOM 282 C ILE A 18 -3.898 -8.498 11.720 1.00 0.00 C ATOM 283 O ILE A 18 -5.112 -8.338 11.589 1.00 0.00 O ATOM 284 CB ILE A 18 -2.276 -6.838 10.585 1.00 0.00 C ATOM 285 CG1 ILE A 18 -1.306 -5.659 10.858 1.00 0.00 C ATOM 286 CG2 ILE A 18 -3.293 -6.455 9.494 1.00 0.00 C ATOM 287 CD1 ILE A 18 -0.658 -5.042 9.614 1.00 0.00 C ATOM 0 HA ILE A 18 -3.667 -6.430 12.136 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.692 -7.688 10.231 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.850 -4.878 11.389 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.516 -6.007 11.524 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.762 -6.161 8.589 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.934 -7.310 9.278 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.904 -5.623 9.843 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.001 -4.227 9.913 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.080 -5.803 9.090 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.434 -4.657 8.953 1.00 0.00 H new ATOM 299 N ILE A 19 -3.347 -9.719 11.777 1.00 0.00 N ATOM 300 CA ILE A 19 -4.087 -10.940 11.441 1.00 0.00 C ATOM 301 C ILE A 19 -3.957 -12.047 12.508 1.00 0.00 C ATOM 302 O ILE A 19 -4.152 -13.220 12.208 1.00 0.00 O ATOM 303 CB ILE A 19 -3.699 -11.403 10.026 1.00 0.00 C ATOM 304 CG1 ILE A 19 -2.188 -11.678 9.964 1.00 0.00 C ATOM 305 CG2 ILE A 19 -4.140 -10.387 8.950 1.00 0.00 C ATOM 306 CD1 ILE A 19 -1.855 -12.543 8.766 1.00 0.00 C ATOM 0 H ILE A 19 -2.380 -9.886 12.056 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.151 -10.705 11.440 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.229 -12.331 9.809 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.643 -10.736 9.902 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.865 -12.174 10.879 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.848 -10.750 7.965 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.223 -10.266 8.986 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.661 -9.426 9.139 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.781 -12.728 8.738 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.385 -13.493 8.844 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.159 -12.032 7.853 1.00 0.00 H new ATOM 318 N VAL A 20 -3.625 -11.698 13.752 1.00 0.00 N ATOM 319 CA VAL A 20 -3.312 -12.648 14.829 1.00 0.00 C ATOM 320 C VAL A 20 -4.332 -13.789 15.011 1.00 0.00 C ATOM 321 O VAL A 20 -3.926 -14.926 15.259 1.00 0.00 O ATOM 322 CB VAL A 20 -3.050 -11.858 16.130 1.00 0.00 C ATOM 323 CG1 VAL A 20 -4.324 -11.230 16.718 1.00 0.00 C ATOM 324 CG2 VAL A 20 -2.368 -12.726 17.194 1.00 0.00 C ATOM 0 H VAL A 20 -3.564 -10.724 14.049 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.408 -13.183 14.537 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.379 -11.047 15.846 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.075 -10.689 17.631 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.757 -10.540 15.994 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.044 -12.015 16.947 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.201 -12.134 18.094 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.006 -13.577 17.433 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.412 -13.085 16.813 1.00 0.00 H new ATOM 334 N ASP A 21 -5.635 -13.518 14.859 1.00 0.00 N ATOM 335 CA ASP A 21 -6.714 -14.502 15.067 1.00 0.00 C ATOM 336 C ASP A 21 -7.430 -14.838 13.739 1.00 0.00 C ATOM 337 O ASP A 21 -8.462 -15.536 13.687 1.00 0.00 O ATOM 338 CB ASP A 21 -7.684 -13.957 16.127 1.00 0.00 C ATOM 339 CG ASP A 21 -8.725 -15.000 16.569 1.00 0.00 C ATOM 340 OD1 ASP A 21 -8.339 -16.113 16.993 1.00 0.00 O ATOM 341 OD2 ASP A 21 -9.939 -14.691 16.562 1.00 0.00 O ATOM 0 H ASP A 21 -5.978 -12.597 14.584 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.291 -15.439 15.429 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.117 -13.624 16.996 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.198 -13.082 15.728 1.00 0.00 H new ATOM 346 N ALA A 22 -6.850 -14.319 12.650 1.00 0.00 N ATOM 347 CA ALA A 22 -7.408 -14.289 11.319 1.00 0.00 C ATOM 348 C ALA A 22 -6.596 -15.164 10.372 1.00 0.00 C ATOM 349 O ALA A 22 -5.368 -15.143 10.311 1.00 0.00 O ATOM 350 CB ALA A 22 -7.415 -12.858 10.794 1.00 0.00 C ATOM 0 H ALA A 22 -5.927 -13.888 12.691 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.427 -14.672 11.368 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.837 -12.841 9.789 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.018 -12.232 11.452 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.395 -12.476 10.765 1.00 0.00 H new ATOM 356 N GLU A 23 -7.355 -15.906 9.594 1.00 0.00 N ATOM 357 CA GLU A 23 -6.921 -16.960 8.692 1.00 0.00 C ATOM 358 C GLU A 23 -8.006 -17.236 7.645 1.00 0.00 C ATOM 359 O GLU A 23 -7.703 -17.510 6.483 1.00 0.00 O ATOM 360 CB GLU A 23 -6.555 -18.222 9.491 1.00 0.00 C ATOM 361 CG GLU A 23 -7.701 -19.107 9.996 1.00 0.00 C ATOM 362 CD GLU A 23 -8.557 -18.471 11.101 1.00 0.00 C ATOM 363 OE1 GLU A 23 -9.097 -17.356 10.925 1.00 0.00 O ATOM 364 OE2 GLU A 23 -8.775 -19.080 12.173 1.00 0.00 O ATOM 0 H GLU A 23 -8.367 -15.782 9.571 1.00 0.00 H new ATOM 0 HA GLU A 23 -6.026 -16.639 8.160 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.907 -18.837 8.867 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.966 -17.913 10.354 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.346 -19.360 9.154 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.284 -20.042 10.370 1.00 0.00 H new ATOM 371 N ASP A 24 -9.272 -17.079 8.036 1.00 0.00 N ATOM 372 CA ASP A 24 -10.430 -17.148 7.174 1.00 0.00 C ATOM 373 C ASP A 24 -10.322 -15.920 6.269 1.00 0.00 C ATOM 374 O ASP A 24 -9.836 -14.873 6.715 1.00 0.00 O ATOM 375 CB ASP A 24 -11.708 -17.092 8.036 1.00 0.00 C ATOM 376 CG ASP A 24 -11.820 -18.179 9.132 1.00 0.00 C ATOM 377 OD1 ASP A 24 -11.971 -19.370 8.776 1.00 0.00 O ATOM 378 OD2 ASP A 24 -11.798 -17.852 10.349 1.00 0.00 O ATOM 0 H ASP A 24 -9.518 -16.892 9.008 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.475 -18.067 6.590 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.761 -16.113 8.513 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.573 -17.174 7.378 1.00 0.00 H new ATOM 383 N LYS A 25 -10.763 -16.016 5.011 1.00 0.00 N ATOM 384 CA LYS A 25 -10.606 -14.926 4.036 1.00 0.00 C ATOM 385 C LYS A 25 -11.174 -13.632 4.585 1.00 0.00 C ATOM 386 O LYS A 25 -10.572 -12.569 4.431 1.00 0.00 O ATOM 387 CB LYS A 25 -11.358 -15.222 2.726 1.00 0.00 C ATOM 388 CG LYS A 25 -11.028 -16.567 2.088 1.00 0.00 C ATOM 389 CD LYS A 25 -9.600 -16.637 1.533 1.00 0.00 C ATOM 390 CE LYS A 25 -9.308 -18.080 1.101 1.00 0.00 C ATOM 391 NZ LYS A 25 -8.139 -18.179 0.196 1.00 0.00 N ATOM 0 H LYS A 25 -11.234 -16.841 4.640 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.537 -14.838 3.844 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -12.430 -15.182 2.922 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.135 -14.432 2.009 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.163 -17.356 2.828 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.735 -16.763 1.281 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.491 -15.960 0.686 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.884 -16.318 2.291 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.130 -18.691 1.986 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.185 -18.490 0.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.986 -19.174 -0.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.316 -17.619 -0.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.294 -17.814 0.680 1.00 0.00 H new ATOM 405 N GLU A 26 -12.342 -13.742 5.218 1.00 0.00 N ATOM 406 CA GLU A 26 -13.088 -12.583 5.636 1.00 0.00 C ATOM 407 C GLU A 26 -12.337 -11.935 6.794 1.00 0.00 C ATOM 408 O GLU A 26 -12.220 -10.713 6.844 1.00 0.00 O ATOM 409 CB GLU A 26 -14.517 -12.980 6.040 1.00 0.00 C ATOM 410 CG GLU A 26 -15.305 -13.581 4.864 1.00 0.00 C ATOM 411 CD GLU A 26 -16.752 -13.918 5.267 1.00 0.00 C ATOM 412 OE1 GLU A 26 -17.006 -15.040 5.764 1.00 0.00 O ATOM 413 OE2 GLU A 26 -17.658 -13.077 5.073 1.00 0.00 O ATOM 0 H GLU A 26 -12.783 -14.632 5.448 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.178 -11.869 4.817 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -14.475 -13.703 6.855 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -15.043 -12.103 6.418 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -15.313 -12.877 4.032 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.805 -14.483 4.513 1.00 0.00 H new ATOM 420 N GLU A 27 -11.768 -12.743 7.697 1.00 0.00 N ATOM 421 CA GLU A 27 -11.060 -12.216 8.848 1.00 0.00 C ATOM 422 C GLU A 27 -9.741 -11.603 8.428 1.00 0.00 C ATOM 423 O GLU A 27 -9.404 -10.539 8.941 1.00 0.00 O ATOM 424 CB GLU A 27 -10.819 -13.278 9.920 1.00 0.00 C ATOM 425 CG GLU A 27 -12.148 -13.845 10.425 1.00 0.00 C ATOM 426 CD GLU A 27 -12.048 -14.540 11.790 1.00 0.00 C ATOM 427 OE1 GLU A 27 -11.156 -14.231 12.605 1.00 0.00 O ATOM 428 OE2 GLU A 27 -12.821 -15.481 12.074 1.00 0.00 O ATOM 0 H GLU A 27 -11.789 -13.761 7.644 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.697 -11.446 9.283 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -10.206 -14.082 9.512 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -10.263 -12.844 10.751 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.875 -13.036 10.493 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.530 -14.556 9.693 1.00 0.00 H new ATOM 435 N ARG A 28 -8.983 -12.224 7.512 1.00 0.00 N ATOM 436 CA ARG A 28 -7.728 -11.593 7.092 1.00 0.00 C ATOM 437 C ARG A 28 -8.012 -10.282 6.372 1.00 0.00 C ATOM 438 O ARG A 28 -7.337 -9.294 6.659 1.00 0.00 O ATOM 439 CB ARG A 28 -6.845 -12.547 6.277 1.00 0.00 C ATOM 440 CG ARG A 28 -6.197 -13.560 7.232 1.00 0.00 C ATOM 441 CD ARG A 28 -5.187 -14.477 6.543 1.00 0.00 C ATOM 442 NE ARG A 28 -5.866 -15.471 5.697 1.00 0.00 N ATOM 443 CZ ARG A 28 -5.434 -15.957 4.534 1.00 0.00 C ATOM 444 NH1 ARG A 28 -4.243 -15.615 4.057 1.00 0.00 N ATOM 445 NH2 ARG A 28 -6.220 -16.776 3.852 1.00 0.00 N ATOM 0 H ARG A 28 -9.202 -13.116 7.069 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.148 -11.356 7.984 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.442 -13.065 5.526 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.077 -11.987 5.743 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.698 -13.022 8.038 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.977 -14.168 7.690 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.506 -13.882 5.935 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.582 -14.986 7.293 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.761 -15.825 6.036 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.648 -14.974 4.582 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.923 -15.993 3.166 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.139 -17.025 4.219 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.907 -17.158 2.960 1.00 0.00 H new ATOM 459 N ALA A 29 -9.025 -10.233 5.503 1.00 0.00 N ATOM 460 CA ALA A 29 -9.402 -9.002 4.831 1.00 0.00 C ATOM 461 C ALA A 29 -9.796 -7.927 5.851 1.00 0.00 C ATOM 462 O ALA A 29 -9.299 -6.804 5.773 1.00 0.00 O ATOM 463 CB ALA A 29 -10.533 -9.295 3.844 1.00 0.00 C ATOM 0 H ALA A 29 -9.597 -11.040 5.252 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.551 -8.611 4.273 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.820 -8.374 3.336 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.194 -10.024 3.108 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.392 -9.695 4.383 1.00 0.00 H new ATOM 469 N MET A 30 -10.639 -8.262 6.834 1.00 0.00 N ATOM 470 CA MET A 30 -11.048 -7.316 7.869 1.00 0.00 C ATOM 471 C MET A 30 -9.878 -6.891 8.756 1.00 0.00 C ATOM 472 O MET A 30 -9.779 -5.712 9.082 1.00 0.00 O ATOM 473 CB MET A 30 -12.207 -7.876 8.701 1.00 0.00 C ATOM 474 CG MET A 30 -13.529 -7.942 7.921 1.00 0.00 C ATOM 475 SD MET A 30 -14.238 -6.362 7.358 1.00 0.00 S ATOM 476 CE MET A 30 -13.474 -6.162 5.720 1.00 0.00 C ATOM 0 H MET A 30 -11.052 -9.190 6.931 1.00 0.00 H new ATOM 0 HA MET A 30 -11.401 -6.418 7.362 1.00 0.00 H new ATOM 0 HB2 MET A 30 -11.947 -8.875 9.050 1.00 0.00 H new ATOM 0 HB3 MET A 30 -12.345 -7.255 9.586 1.00 0.00 H new ATOM 0 HG2 MET A 30 -13.375 -8.575 7.047 1.00 0.00 H new ATOM 0 HG3 MET A 30 -14.268 -8.440 8.549 1.00 0.00 H new ATOM 0 HE1 MET A 30 -14.183 -5.685 5.044 1.00 0.00 H new ATOM 0 HE2 MET A 30 -12.582 -5.542 5.808 1.00 0.00 H new ATOM 0 HE3 MET A 30 -13.198 -7.140 5.325 1.00 0.00 H new ATOM 486 N GLY A 31 -8.968 -7.801 9.107 1.00 0.00 N ATOM 487 CA GLY A 31 -7.794 -7.491 9.909 1.00 0.00 C ATOM 488 C GLY A 31 -6.940 -6.430 9.222 1.00 0.00 C ATOM 489 O GLY A 31 -6.624 -5.402 9.830 1.00 0.00 O ATOM 0 H GLY A 31 -9.030 -8.783 8.837 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.102 -7.137 10.893 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.205 -8.395 10.066 1.00 0.00 H new ATOM 493 N TRP A 32 -6.641 -6.636 7.933 1.00 0.00 N ATOM 494 CA TRP A 32 -5.956 -5.639 7.124 1.00 0.00 C ATOM 495 C TRP A 32 -6.753 -4.335 7.085 1.00 0.00 C ATOM 496 O TRP A 32 -6.189 -3.288 7.384 1.00 0.00 O ATOM 497 CB TRP A 32 -5.690 -6.175 5.710 1.00 0.00 C ATOM 498 CG TRP A 32 -4.458 -7.018 5.578 1.00 0.00 C ATOM 499 CD1 TRP A 32 -4.406 -8.364 5.487 1.00 0.00 C ATOM 500 CD2 TRP A 32 -3.071 -6.574 5.497 1.00 0.00 C ATOM 501 NE1 TRP A 32 -3.099 -8.780 5.332 1.00 0.00 N ATOM 502 CE2 TRP A 32 -2.225 -7.714 5.365 1.00 0.00 C ATOM 503 CE3 TRP A 32 -2.451 -5.309 5.501 1.00 0.00 C ATOM 504 CZ2 TRP A 32 -0.830 -7.598 5.276 1.00 0.00 C ATOM 505 CZ3 TRP A 32 -1.055 -5.180 5.390 1.00 0.00 C ATOM 506 CH2 TRP A 32 -0.244 -6.322 5.279 1.00 0.00 C ATOM 0 H TRP A 32 -6.868 -7.494 7.431 1.00 0.00 H new ATOM 0 HA TRP A 32 -4.991 -5.425 7.584 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -6.551 -6.763 5.392 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -5.610 -5.330 5.026 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.263 -9.020 5.529 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -2.816 -9.752 5.209 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -3.059 -4.421 5.591 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -0.213 -8.481 5.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.604 -4.199 5.390 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.828 -6.219 5.196 1.00 0.00 H new ATOM 517 N TYR A 33 -8.048 -4.387 6.763 1.00 0.00 N ATOM 518 CA TYR A 33 -8.892 -3.212 6.579 1.00 0.00 C ATOM 519 C TYR A 33 -8.925 -2.333 7.831 1.00 0.00 C ATOM 520 O TYR A 33 -8.717 -1.121 7.729 1.00 0.00 O ATOM 521 CB TYR A 33 -10.298 -3.692 6.189 1.00 0.00 C ATOM 522 CG TYR A 33 -11.420 -2.679 6.301 1.00 0.00 C ATOM 523 CD1 TYR A 33 -11.344 -1.441 5.638 1.00 0.00 C ATOM 524 CD2 TYR A 33 -12.555 -2.985 7.074 1.00 0.00 C ATOM 525 CE1 TYR A 33 -12.398 -0.517 5.747 1.00 0.00 C ATOM 526 CE2 TYR A 33 -13.605 -2.062 7.198 1.00 0.00 C ATOM 527 CZ TYR A 33 -13.539 -0.824 6.523 1.00 0.00 C ATOM 528 OH TYR A 33 -14.571 0.060 6.631 1.00 0.00 O ATOM 0 H TYR A 33 -8.545 -5.266 6.621 1.00 0.00 H new ATOM 0 HA TYR A 33 -8.481 -2.588 5.786 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -10.262 -4.047 5.159 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -10.550 -4.549 6.814 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -10.475 -1.200 5.044 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -12.619 -3.939 7.577 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -12.336 0.432 5.235 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -14.463 -2.299 7.810 1.00 0.00 H new ATOM 0 HH TYR A 33 -15.269 -0.321 7.203 1.00 0.00 H new ATOM 538 N TYR A 34 -9.155 -2.926 9.005 1.00 0.00 N ATOM 539 CA TYR A 34 -9.278 -2.191 10.254 1.00 0.00 C ATOM 540 C TYR A 34 -7.957 -1.500 10.587 1.00 0.00 C ATOM 541 O TYR A 34 -7.951 -0.315 10.920 1.00 0.00 O ATOM 542 CB TYR A 34 -9.671 -3.143 11.398 1.00 0.00 C ATOM 543 CG TYR A 34 -10.998 -3.890 11.309 1.00 0.00 C ATOM 544 CD1 TYR A 34 -12.020 -3.523 10.406 1.00 0.00 C ATOM 545 CD2 TYR A 34 -11.209 -4.976 12.181 1.00 0.00 C ATOM 546 CE1 TYR A 34 -13.242 -4.222 10.392 1.00 0.00 C ATOM 547 CE2 TYR A 34 -12.423 -5.684 12.168 1.00 0.00 C ATOM 548 CZ TYR A 34 -13.450 -5.306 11.275 1.00 0.00 C ATOM 549 OH TYR A 34 -14.625 -5.997 11.273 1.00 0.00 O ATOM 0 H TYR A 34 -9.261 -3.935 9.110 1.00 0.00 H new ATOM 0 HA TYR A 34 -10.057 -1.437 10.139 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -8.880 -3.886 11.495 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.680 -2.564 12.321 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -11.863 -2.702 9.722 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -10.428 -5.268 12.868 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -14.022 -3.929 9.705 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.570 -6.516 12.840 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.587 -6.709 11.946 1.00 0.00 H new ATOM 559 N TYR A 35 -6.836 -2.222 10.489 1.00 0.00 N ATOM 560 CA TYR A 35 -5.532 -1.680 10.839 1.00 0.00 C ATOM 561 C TYR A 35 -5.097 -0.620 9.826 1.00 0.00 C ATOM 562 O TYR A 35 -4.533 0.401 10.224 1.00 0.00 O ATOM 563 CB TYR A 35 -4.519 -2.830 10.900 1.00 0.00 C ATOM 564 CG TYR A 35 -3.148 -2.423 11.402 1.00 0.00 C ATOM 565 CD1 TYR A 35 -2.856 -2.480 12.778 1.00 0.00 C ATOM 566 CD2 TYR A 35 -2.157 -2.004 10.493 1.00 0.00 C ATOM 567 CE1 TYR A 35 -1.580 -2.122 13.248 1.00 0.00 C ATOM 568 CE2 TYR A 35 -0.880 -1.642 10.954 1.00 0.00 C ATOM 569 CZ TYR A 35 -0.584 -1.700 12.336 1.00 0.00 C ATOM 570 OH TYR A 35 0.660 -1.353 12.772 1.00 0.00 O ATOM 0 H TYR A 35 -6.813 -3.190 10.167 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.587 -1.195 11.814 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.913 -3.613 11.548 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.416 -3.262 9.905 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.616 -2.800 13.476 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.380 -1.961 9.437 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -1.360 -2.169 14.304 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -0.124 -1.319 10.253 1.00 0.00 H new ATOM 0 HH TYR A 35 1.213 -1.090 12.007 1.00 0.00 H new ATOM 580 N LEU A 36 -5.363 -0.829 8.531 1.00 0.00 N ATOM 581 CA LEU A 36 -5.012 0.127 7.495 1.00 0.00 C ATOM 582 C LEU A 36 -5.805 1.396 7.693 1.00 0.00 C ATOM 583 O LEU A 36 -5.155 2.434 7.777 1.00 0.00 O ATOM 584 CB LEU A 36 -5.212 -0.439 6.080 1.00 0.00 C ATOM 585 CG LEU A 36 -3.908 -0.971 5.457 1.00 0.00 C ATOM 586 CD1 LEU A 36 -3.048 -1.838 6.388 1.00 0.00 C ATOM 587 CD2 LEU A 36 -4.245 -1.767 4.194 1.00 0.00 C ATOM 0 H LEU A 36 -5.827 -1.667 8.181 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.948 0.347 7.585 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.946 -1.244 6.117 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.624 0.339 5.438 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.304 -0.091 5.236 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.153 -2.164 5.858 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.760 -1.256 7.264 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.620 -2.710 6.704 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.326 -2.147 3.747 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.895 -2.603 4.453 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.754 -1.119 3.481 1.00 0.00 H new ATOM 599 N ASP A 37 -7.141 1.351 7.850 1.00 0.00 N ATOM 600 CA ASP A 37 -7.844 2.591 8.172 1.00 0.00 C ATOM 601 C ASP A 37 -7.233 3.184 9.397 1.00 0.00 C ATOM 602 O ASP A 37 -6.949 4.383 9.377 1.00 0.00 O ATOM 603 CB ASP A 37 -9.349 2.498 8.489 1.00 0.00 C ATOM 604 CG ASP A 37 -9.931 3.888 8.922 1.00 0.00 C ATOM 605 OD1 ASP A 37 -9.591 4.471 9.995 1.00 0.00 O ATOM 606 OD2 ASP A 37 -10.770 4.413 8.158 1.00 0.00 O ATOM 0 H ASP A 37 -7.722 0.517 7.764 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.746 3.172 7.255 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.885 2.135 7.612 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.510 1.771 9.285 1.00 0.00 H new ATOM 611 N ASP A 38 -7.018 2.399 10.461 1.00 0.00 N ATOM 612 CA ASP A 38 -6.676 3.099 11.667 1.00 0.00 C ATOM 613 C ASP A 38 -5.347 3.838 11.568 1.00 0.00 C ATOM 614 O ASP A 38 -5.247 4.963 12.062 1.00 0.00 O ATOM 615 CB ASP A 38 -6.897 2.376 12.985 1.00 0.00 C ATOM 616 CG ASP A 38 -7.084 3.484 14.060 1.00 0.00 C ATOM 617 OD1 ASP A 38 -7.594 4.596 13.731 1.00 0.00 O ATOM 618 OD2 ASP A 38 -6.734 3.243 15.237 1.00 0.00 O ATOM 0 H ASP A 38 -7.071 1.381 10.502 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.454 3.861 11.727 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.774 1.731 12.933 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.047 1.738 13.227 1.00 0.00 H new ATOM 623 N THR A 39 -4.422 3.294 10.784 1.00 0.00 N ATOM 624 CA THR A 39 -3.093 3.843 10.618 1.00 0.00 C ATOM 625 C THR A 39 -3.145 5.077 9.705 1.00 0.00 C ATOM 626 O THR A 39 -2.474 6.076 9.970 1.00 0.00 O ATOM 627 CB THR A 39 -2.208 2.721 10.055 1.00 0.00 C ATOM 628 OG1 THR A 39 -2.205 1.604 10.921 1.00 0.00 O ATOM 629 CG2 THR A 39 -0.776 3.199 9.874 1.00 0.00 C ATOM 0 H THR A 39 -4.583 2.446 10.240 1.00 0.00 H new ATOM 0 HA THR A 39 -2.673 4.185 11.564 1.00 0.00 H new ATOM 0 HB THR A 39 -2.621 2.435 9.088 1.00 0.00 H new ATOM 0 HG1 THR A 39 -3.014 1.071 10.770 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.169 2.387 9.474 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.758 4.040 9.181 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.373 3.513 10.837 1.00 0.00 H new ATOM 637 N LEU A 40 -3.947 5.019 8.641 1.00 0.00 N ATOM 638 CA LEU A 40 -4.183 6.124 7.728 1.00 0.00 C ATOM 639 C LEU A 40 -4.952 7.220 8.481 1.00 0.00 C ATOM 640 O LEU A 40 -5.913 6.950 9.217 1.00 0.00 O ATOM 641 CB LEU A 40 -4.986 5.614 6.513 1.00 0.00 C ATOM 642 CG LEU A 40 -4.290 4.505 5.685 1.00 0.00 C ATOM 643 CD1 LEU A 40 -5.278 3.751 4.788 1.00 0.00 C ATOM 644 CD2 LEU A 40 -3.179 5.029 4.781 1.00 0.00 C ATOM 0 H LEU A 40 -4.462 4.176 8.389 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.242 6.538 7.365 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.946 5.235 6.864 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.197 6.458 5.856 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.863 3.842 6.437 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.746 2.983 4.226 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.045 3.283 5.405 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.746 4.450 4.094 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.736 4.199 4.231 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.593 5.751 4.077 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.413 5.512 5.388 1.00 0.00 H new ATOM 656 N GLU A 41 -4.564 8.475 8.262 1.00 0.00 N ATOM 657 CA GLU A 41 -5.193 9.644 8.867 1.00 0.00 C ATOM 658 C GLU A 41 -5.746 10.520 7.743 1.00 0.00 C ATOM 659 O GLU A 41 -5.255 11.612 7.450 1.00 0.00 O ATOM 660 CB GLU A 41 -4.230 10.342 9.843 1.00 0.00 C ATOM 661 CG GLU A 41 -3.997 9.509 11.116 1.00 0.00 C ATOM 662 CD GLU A 41 -5.252 9.416 12.010 1.00 0.00 C ATOM 663 OE1 GLU A 41 -5.430 10.282 12.898 1.00 0.00 O ATOM 664 OE2 GLU A 41 -6.071 8.479 11.848 1.00 0.00 O ATOM 0 H GLU A 41 -3.787 8.711 7.645 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.040 9.369 9.495 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.276 10.520 9.346 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.634 11.317 10.116 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.682 8.504 10.834 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.181 9.950 11.688 1.00 0.00 H new ATOM 671 N PHE A 42 -6.765 9.969 7.078 1.00 0.00 N ATOM 672 CA PHE A 42 -7.566 10.626 6.055 1.00 0.00 C ATOM 673 C PHE A 42 -8.185 11.948 6.565 1.00 0.00 C ATOM 674 O PHE A 42 -8.389 12.093 7.776 1.00 0.00 O ATOM 675 CB PHE A 42 -8.705 9.682 5.646 1.00 0.00 C ATOM 676 CG PHE A 42 -8.308 8.334 5.078 1.00 0.00 C ATOM 677 CD1 PHE A 42 -8.065 8.202 3.697 1.00 0.00 C ATOM 678 CD2 PHE A 42 -8.310 7.187 5.899 1.00 0.00 C ATOM 679 CE1 PHE A 42 -7.882 6.926 3.135 1.00 0.00 C ATOM 680 CE2 PHE A 42 -8.134 5.917 5.329 1.00 0.00 C ATOM 681 CZ PHE A 42 -7.933 5.785 3.947 1.00 0.00 C ATOM 0 H PHE A 42 -7.063 9.009 7.250 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.915 10.858 5.213 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.333 9.510 6.520 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -9.321 10.194 4.906 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.019 9.080 3.070 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -8.447 7.286 6.966 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -7.702 6.825 2.075 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -8.153 5.038 5.956 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.818 4.805 3.509 1.00 0.00 H new ATOM 691 N PRO A 43 -8.582 12.873 5.669 1.00 0.00 N ATOM 692 CA PRO A 43 -8.301 12.850 4.238 1.00 0.00 C ATOM 693 C PRO A 43 -6.816 13.135 3.988 1.00 0.00 C ATOM 694 O PRO A 43 -6.158 13.805 4.790 1.00 0.00 O ATOM 695 CB PRO A 43 -9.201 13.929 3.627 1.00 0.00 C ATOM 696 CG PRO A 43 -9.350 14.945 4.759 1.00 0.00 C ATOM 697 CD PRO A 43 -9.326 14.076 6.017 1.00 0.00 C ATOM 0 HA PRO A 43 -8.504 11.878 3.788 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.749 14.376 2.742 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -10.165 13.523 3.321 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -8.538 15.672 4.757 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -10.280 15.507 4.676 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -8.849 14.602 6.844 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.338 13.828 6.338 1.00 0.00 H new ATOM 705 N PHE A 44 -6.290 12.640 2.869 1.00 0.00 N ATOM 706 CA PHE A 44 -4.929 12.927 2.426 1.00 0.00 C ATOM 707 C PHE A 44 -4.911 12.997 0.899 1.00 0.00 C ATOM 708 O PHE A 44 -5.870 12.581 0.257 1.00 0.00 O ATOM 709 CB PHE A 44 -3.944 11.884 2.987 1.00 0.00 C ATOM 710 CG PHE A 44 -4.031 10.475 2.418 1.00 0.00 C ATOM 711 CD1 PHE A 44 -3.332 10.164 1.239 1.00 0.00 C ATOM 712 CD2 PHE A 44 -4.742 9.457 3.083 1.00 0.00 C ATOM 713 CE1 PHE A 44 -3.380 8.874 0.689 1.00 0.00 C ATOM 714 CE2 PHE A 44 -4.765 8.154 2.551 1.00 0.00 C ATOM 715 CZ PHE A 44 -4.104 7.865 1.345 1.00 0.00 C ATOM 0 H PHE A 44 -6.802 12.023 2.239 1.00 0.00 H new ATOM 0 HA PHE A 44 -4.601 13.892 2.812 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -2.931 12.253 2.825 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.092 11.824 4.065 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.749 10.930 0.749 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -5.269 9.676 4.000 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.863 8.658 -0.234 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.294 7.371 3.073 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.153 6.871 0.924 1.00 0.00 H new ATOM 725 N MET A 45 -3.847 13.527 0.297 1.00 0.00 N ATOM 726 CA MET A 45 -3.732 13.660 -1.154 1.00 0.00 C ATOM 727 C MET A 45 -2.842 12.537 -1.684 1.00 0.00 C ATOM 728 O MET A 45 -1.856 12.183 -1.035 1.00 0.00 O ATOM 729 CB MET A 45 -3.116 15.037 -1.445 1.00 0.00 C ATOM 730 CG MET A 45 -2.946 15.322 -2.937 1.00 0.00 C ATOM 731 SD MET A 45 -2.076 16.874 -3.267 1.00 0.00 S ATOM 732 CE MET A 45 -1.992 16.737 -5.066 1.00 0.00 C ATOM 0 H MET A 45 -3.036 13.878 0.806 1.00 0.00 H new ATOM 0 HA MET A 45 -4.703 13.585 -1.644 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.746 15.809 -1.004 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.144 15.102 -0.957 1.00 0.00 H new ATOM 0 HG2 MET A 45 -2.398 14.500 -3.398 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.928 15.355 -3.409 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.267 17.453 -5.452 1.00 0.00 H new ATOM 0 HE2 MET A 45 -1.686 15.727 -5.340 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.972 16.948 -5.493 1.00 0.00 H new ATOM 742 N GLY A 46 -3.119 12.008 -2.876 1.00 0.00 N ATOM 743 CA GLY A 46 -2.249 11.028 -3.497 1.00 0.00 C ATOM 744 C GLY A 46 -2.344 11.057 -5.012 1.00 0.00 C ATOM 745 O GLY A 46 -3.181 11.744 -5.597 1.00 0.00 O ATOM 0 H GLY A 46 -3.944 12.247 -3.427 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.219 11.216 -3.195 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.510 10.033 -3.137 1.00 0.00 H new ATOM 749 N LYS A 47 -1.445 10.319 -5.652 1.00 0.00 N ATOM 750 CA LYS A 47 -1.525 10.045 -7.077 1.00 0.00 C ATOM 751 C LYS A 47 -2.181 8.677 -7.210 1.00 0.00 C ATOM 752 O LYS A 47 -1.750 7.717 -6.566 1.00 0.00 O ATOM 753 CB LYS A 47 -0.123 10.042 -7.720 1.00 0.00 C ATOM 754 CG LYS A 47 -0.185 10.228 -9.248 1.00 0.00 C ATOM 755 CD LYS A 47 -0.444 11.689 -9.667 1.00 0.00 C ATOM 756 CE LYS A 47 0.795 12.589 -9.537 1.00 0.00 C ATOM 757 NZ LYS A 47 1.734 12.446 -10.679 1.00 0.00 N ATOM 0 H LYS A 47 -0.639 9.894 -5.194 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.101 10.814 -7.592 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.478 10.839 -7.282 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.379 9.102 -7.490 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.753 9.891 -9.688 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.973 9.594 -9.654 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.790 11.707 -10.700 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.247 12.098 -9.054 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.477 13.629 -9.463 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.317 12.349 -8.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.698 12.678 -10.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.709 11.467 -11.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.453 13.093 -11.443 1.00 0.00 H new ATOM 771 N TRP A 48 -3.224 8.586 -8.025 1.00 0.00 N ATOM 772 CA TRP A 48 -3.801 7.321 -8.426 1.00 0.00 C ATOM 773 C TRP A 48 -2.954 6.879 -9.617 1.00 0.00 C ATOM 774 O TRP A 48 -3.096 7.413 -10.719 1.00 0.00 O ATOM 775 CB TRP A 48 -5.290 7.498 -8.766 1.00 0.00 C ATOM 776 CG TRP A 48 -6.060 6.256 -9.111 1.00 0.00 C ATOM 777 CD1 TRP A 48 -5.566 4.999 -9.164 1.00 0.00 C ATOM 778 CD2 TRP A 48 -7.483 6.122 -9.419 1.00 0.00 C ATOM 779 NE1 TRP A 48 -6.556 4.111 -9.511 1.00 0.00 N ATOM 780 CE2 TRP A 48 -7.769 4.746 -9.674 1.00 0.00 C ATOM 781 CE3 TRP A 48 -8.569 7.023 -9.484 1.00 0.00 C ATOM 782 CZ2 TRP A 48 -9.062 4.293 -9.978 1.00 0.00 C ATOM 783 CZ3 TRP A 48 -9.873 6.577 -9.774 1.00 0.00 C ATOM 784 CH2 TRP A 48 -10.120 5.215 -10.023 1.00 0.00 C ATOM 0 H TRP A 48 -3.693 9.398 -8.427 1.00 0.00 H new ATOM 0 HA TRP A 48 -3.785 6.564 -7.642 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.778 7.974 -7.916 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -5.367 8.189 -9.606 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -4.539 4.731 -8.962 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -6.412 3.109 -9.633 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -8.396 8.074 -9.308 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -9.241 3.246 -10.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -10.688 7.285 -9.805 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -11.121 4.879 -10.248 1.00 0.00 H new ATOM 795 N LYS A 49 -2.030 5.948 -9.387 1.00 0.00 N ATOM 796 CA LYS A 49 -1.257 5.263 -10.414 1.00 0.00 C ATOM 797 C LYS A 49 -2.123 4.108 -10.916 1.00 0.00 C ATOM 798 O LYS A 49 -1.908 2.948 -10.558 1.00 0.00 O ATOM 799 CB LYS A 49 0.073 4.773 -9.813 1.00 0.00 C ATOM 800 CG LYS A 49 1.112 5.898 -9.754 1.00 0.00 C ATOM 801 CD LYS A 49 2.423 5.396 -9.136 1.00 0.00 C ATOM 802 CE LYS A 49 3.545 6.396 -9.433 1.00 0.00 C ATOM 803 NZ LYS A 49 4.816 6.016 -8.771 1.00 0.00 N ATOM 0 H LYS A 49 -1.792 5.641 -8.444 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.003 5.919 -11.247 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.101 4.385 -8.810 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.462 3.949 -10.411 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.300 6.279 -10.758 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.722 6.729 -9.166 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.306 5.274 -8.059 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.677 4.417 -9.542 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.701 6.457 -10.510 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.244 7.389 -9.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.514 6.776 -8.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.648 5.867 -7.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.179 5.138 -9.194 1.00 0.00 H new ATOM 817 N LYS A 50 -3.163 4.447 -11.675 1.00 0.00 N ATOM 818 CA LYS A 50 -4.060 3.463 -12.264 1.00 0.00 C ATOM 819 C LYS A 50 -3.212 2.557 -13.147 1.00 0.00 C ATOM 820 O LYS A 50 -2.448 3.069 -13.965 1.00 0.00 O ATOM 821 CB LYS A 50 -5.159 4.182 -13.067 1.00 0.00 C ATOM 822 CG LYS A 50 -6.146 3.229 -13.765 1.00 0.00 C ATOM 823 CD LYS A 50 -7.029 2.439 -12.786 1.00 0.00 C ATOM 824 CE LYS A 50 -8.085 1.576 -13.496 1.00 0.00 C ATOM 825 NZ LYS A 50 -7.505 0.418 -14.226 1.00 0.00 N ATOM 0 H LYS A 50 -3.405 5.413 -11.897 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.561 2.865 -11.503 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.715 4.838 -12.397 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.690 4.817 -13.818 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.785 3.806 -14.434 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.586 2.528 -14.384 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.397 1.798 -12.171 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.529 3.135 -12.113 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.800 1.211 -12.759 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.640 2.198 -14.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.268 -0.122 -14.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.843 0.761 -14.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.998 -0.196 -13.557 1.00 0.00 H new ATOM 976 N GLU A 59 -0.875 4.727 -15.607 1.00 0.00 N ATOM 977 CA GLU A 59 -1.415 6.020 -15.982 1.00 0.00 C ATOM 978 C GLU A 59 -1.637 6.744 -14.651 1.00 0.00 C ATOM 979 O GLU A 59 -1.822 6.098 -13.615 1.00 0.00 O ATOM 980 CB GLU A 59 -2.737 5.838 -16.750 1.00 0.00 C ATOM 981 CG GLU A 59 -2.572 5.212 -18.147 1.00 0.00 C ATOM 982 CD GLU A 59 -1.731 6.061 -19.124 1.00 0.00 C ATOM 983 OE1 GLU A 59 -1.750 7.311 -19.052 1.00 0.00 O ATOM 984 OE2 GLU A 59 -1.073 5.483 -20.019 1.00 0.00 O ATOM 0 HA GLU A 59 -0.754 6.582 -16.641 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.404 5.211 -16.159 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.221 6.809 -16.854 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.107 4.232 -18.041 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.559 5.051 -18.580 1.00 0.00 H new ATOM 991 N GLU A 60 -1.611 8.075 -14.645 1.00 0.00 N ATOM 992 CA GLU A 60 -1.592 8.848 -13.409 1.00 0.00 C ATOM 993 C GLU A 60 -2.724 9.868 -13.407 1.00 0.00 C ATOM 994 O GLU A 60 -2.941 10.572 -14.399 1.00 0.00 O ATOM 995 CB GLU A 60 -0.232 9.546 -13.254 1.00 0.00 C ATOM 996 CG GLU A 60 0.899 8.554 -12.959 1.00 0.00 C ATOM 997 CD GLU A 60 2.247 9.271 -12.778 1.00 0.00 C ATOM 998 OE1 GLU A 60 2.410 10.013 -11.783 1.00 0.00 O ATOM 999 OE2 GLU A 60 3.153 9.095 -13.625 1.00 0.00 O ATOM 0 H GLU A 60 -1.603 8.643 -15.492 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.738 8.175 -12.564 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.002 10.096 -14.167 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.291 10.277 -12.448 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.663 7.989 -12.057 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.975 7.835 -13.775 1.00 0.00 H new ATOM 1006 N LYS A 61 -3.409 9.979 -12.266 1.00 0.00 N ATOM 1007 CA LYS A 61 -4.384 11.027 -11.973 1.00 0.00 C ATOM 1008 C LYS A 61 -4.061 11.536 -10.575 1.00 0.00 C ATOM 1009 O LYS A 61 -3.593 10.762 -9.740 1.00 0.00 O ATOM 1010 CB LYS A 61 -5.817 10.466 -12.027 1.00 0.00 C ATOM 1011 CG LYS A 61 -6.234 10.039 -13.444 1.00 0.00 C ATOM 1012 CD LYS A 61 -7.664 9.481 -13.508 1.00 0.00 C ATOM 1013 CE LYS A 61 -7.798 8.147 -12.755 1.00 0.00 C ATOM 1014 NZ LYS A 61 -9.161 7.570 -12.873 1.00 0.00 N ATOM 0 H LYS A 61 -3.295 9.319 -11.497 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.329 11.831 -12.707 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.893 9.610 -11.357 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.512 11.221 -11.660 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.154 10.895 -14.114 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.539 9.283 -13.809 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.356 10.208 -13.083 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.951 9.339 -14.550 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.070 7.437 -13.146 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.560 8.301 -11.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.472 7.222 -11.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.820 8.302 -13.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.147 6.781 -13.551 1.00 0.00 H new ATOM 1028 N THR A 62 -4.307 12.810 -10.300 1.00 0.00 N ATOM 1029 CA THR A 62 -4.014 13.398 -8.997 1.00 0.00 C ATOM 1030 C THR A 62 -5.337 13.449 -8.240 1.00 0.00 C ATOM 1031 O THR A 62 -6.326 13.960 -8.773 1.00 0.00 O ATOM 1032 CB THR A 62 -3.349 14.767 -9.202 1.00 0.00 C ATOM 1033 OG1 THR A 62 -2.259 14.648 -10.102 1.00 0.00 O ATOM 1034 CG2 THR A 62 -2.792 15.310 -7.891 1.00 0.00 C ATOM 0 H THR A 62 -4.713 13.463 -10.970 1.00 0.00 H new ATOM 0 HA THR A 62 -3.306 12.816 -8.406 1.00 0.00 H new ATOM 0 HB THR A 62 -4.112 15.441 -9.593 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.842 15.526 -10.228 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.327 16.280 -8.067 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.602 15.421 -7.170 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.048 14.617 -7.497 1.00 0.00 H new ATOM 1042 N VAL A 63 -5.382 12.908 -7.021 1.00 0.00 N ATOM 1043 CA VAL A 63 -6.629 12.695 -6.308 1.00 0.00 C ATOM 1044 C VAL A 63 -6.500 13.067 -4.833 1.00 0.00 C ATOM 1045 O VAL A 63 -5.422 13.054 -4.237 1.00 0.00 O ATOM 1046 CB VAL A 63 -7.095 11.226 -6.460 1.00 0.00 C ATOM 1047 CG1 VAL A 63 -7.356 10.827 -7.921 1.00 0.00 C ATOM 1048 CG2 VAL A 63 -6.118 10.196 -5.872 1.00 0.00 C ATOM 0 H VAL A 63 -4.554 12.608 -6.507 1.00 0.00 H new ATOM 0 HA VAL A 63 -7.381 13.349 -6.750 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.024 11.203 -5.891 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.680 9.787 -7.962 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.134 11.466 -8.339 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.440 10.945 -8.500 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.516 9.192 -6.018 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.154 10.281 -6.374 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.990 10.384 -4.806 1.00 0.00 H new ATOM 1058 N GLU A 64 -7.638 13.397 -4.245 1.00 0.00 N ATOM 1059 CA GLU A 64 -7.815 13.560 -2.816 1.00 0.00 C ATOM 1060 C GLU A 64 -8.460 12.247 -2.372 1.00 0.00 C ATOM 1061 O GLU A 64 -9.370 11.754 -3.038 1.00 0.00 O ATOM 1062 CB GLU A 64 -8.697 14.787 -2.536 1.00 0.00 C ATOM 1063 CG GLU A 64 -8.848 15.035 -1.029 1.00 0.00 C ATOM 1064 CD GLU A 64 -9.547 16.377 -0.745 1.00 0.00 C ATOM 1065 OE1 GLU A 64 -10.793 16.456 -0.834 1.00 0.00 O ATOM 1066 OE2 GLU A 64 -8.855 17.366 -0.412 1.00 0.00 O ATOM 0 H GLU A 64 -8.495 13.565 -4.772 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.889 13.743 -2.272 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.260 15.667 -3.009 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -9.680 14.640 -2.983 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.421 14.223 -0.581 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.865 15.029 -0.558 1.00 0.00 H new ATOM 1073 N VAL A 65 -7.977 11.655 -1.287 1.00 0.00 N ATOM 1074 CA VAL A 65 -8.369 10.339 -0.805 1.00 0.00 C ATOM 1075 C VAL A 65 -9.195 10.585 0.458 1.00 0.00 C ATOM 1076 O VAL A 65 -8.682 11.113 1.450 1.00 0.00 O ATOM 1077 CB VAL A 65 -7.121 9.457 -0.562 1.00 0.00 C ATOM 1078 CG1 VAL A 65 -7.548 7.988 -0.467 1.00 0.00 C ATOM 1079 CG2 VAL A 65 -6.055 9.574 -1.671 1.00 0.00 C ATOM 0 H VAL A 65 -7.273 12.097 -0.696 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.966 9.787 -1.531 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.672 9.813 0.365 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.671 7.364 -0.296 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -8.247 7.865 0.360 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.030 7.688 -1.398 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.210 8.928 -1.433 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.487 9.270 -2.624 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.714 10.607 -1.740 1.00 0.00 H new ATOM 1089 N LEU A 66 -10.491 10.270 0.398 1.00 0.00 N ATOM 1090 CA LEU A 66 -11.452 10.650 1.431 1.00 0.00 C ATOM 1091 C LEU A 66 -11.457 9.673 2.606 1.00 0.00 C ATOM 1092 O LEU A 66 -11.738 10.086 3.732 1.00 0.00 O ATOM 1093 CB LEU A 66 -12.885 10.723 0.860 1.00 0.00 C ATOM 1094 CG LEU A 66 -13.192 11.784 -0.218 1.00 0.00 C ATOM 1095 CD1 LEU A 66 -12.638 13.168 0.135 1.00 0.00 C ATOM 1096 CD2 LEU A 66 -12.709 11.372 -1.613 1.00 0.00 C ATOM 0 H LEU A 66 -10.903 9.742 -0.372 1.00 0.00 H new ATOM 0 HA LEU A 66 -11.137 11.631 1.786 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -13.126 9.746 0.442 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -13.567 10.890 1.694 1.00 0.00 H new ATOM 0 HG LEU A 66 -14.280 11.850 -0.241 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -12.885 13.872 -0.660 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -13.079 13.509 1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -11.555 13.109 0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -12.953 12.157 -2.329 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.630 11.220 -1.594 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -13.201 10.445 -1.909 1.00 0.00 H new ATOM 1108 N GLY A 67 -11.188 8.390 2.363 1.00 0.00 N ATOM 1109 CA GLY A 67 -11.329 7.335 3.347 1.00 0.00 C ATOM 1110 C GLY A 67 -11.216 5.990 2.648 1.00 0.00 C ATOM 1111 O GLY A 67 -11.191 5.921 1.415 1.00 0.00 O ATOM 0 H GLY A 67 -10.860 8.056 1.457 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -10.558 7.428 4.112 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -12.291 7.417 3.852 1.00 0.00 H new ATOM 1115 N MET A 68 -11.150 4.916 3.428 1.00 0.00 N ATOM 1116 CA MET A 68 -11.272 3.564 2.891 1.00 0.00 C ATOM 1117 C MET A 68 -12.688 3.400 2.329 1.00 0.00 C ATOM 1118 O MET A 68 -13.633 4.057 2.781 1.00 0.00 O ATOM 1119 CB MET A 68 -11.015 2.495 3.966 1.00 0.00 C ATOM 1120 CG MET A 68 -9.580 2.448 4.505 1.00 0.00 C ATOM 1121 SD MET A 68 -8.288 1.936 3.334 1.00 0.00 S ATOM 1122 CE MET A 68 -8.585 0.148 3.259 1.00 0.00 C ATOM 0 H MET A 68 -11.012 4.955 4.438 1.00 0.00 H new ATOM 0 HA MET A 68 -10.522 3.426 2.112 1.00 0.00 H new ATOM 0 HB2 MET A 68 -11.695 2.670 4.800 1.00 0.00 H new ATOM 0 HB3 MET A 68 -11.263 1.518 3.552 1.00 0.00 H new ATOM 0 HG2 MET A 68 -9.325 3.438 4.882 1.00 0.00 H new ATOM 0 HG3 MET A 68 -9.558 1.767 5.356 1.00 0.00 H new ATOM 0 HE1 MET A 68 -7.869 -0.312 2.578 1.00 0.00 H new ATOM 0 HE2 MET A 68 -8.468 -0.282 4.254 1.00 0.00 H new ATOM 0 HE3 MET A 68 -9.597 -0.038 2.900 1.00 0.00 H new ATOM 1132 N ALA A 69 -12.838 2.504 1.355 1.00 0.00 N ATOM 1133 CA ALA A 69 -14.141 2.072 0.868 1.00 0.00 C ATOM 1134 C ALA A 69 -14.914 1.357 2.000 1.00 0.00 C ATOM 1135 O ALA A 69 -14.313 1.014 3.025 1.00 0.00 O ATOM 1136 CB ALA A 69 -13.920 1.150 -0.335 1.00 0.00 C ATOM 0 H ALA A 69 -12.053 2.057 0.881 1.00 0.00 H new ATOM 0 HA ALA A 69 -14.741 2.927 0.555 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -14.884 0.813 -0.717 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.389 1.693 -1.117 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.330 0.287 -0.028 1.00 0.00 H new ATOM 1142 N PRO A 70 -16.228 1.106 1.839 1.00 0.00 N ATOM 1143 CA PRO A 70 -16.997 0.296 2.776 1.00 0.00 C ATOM 1144 C PRO A 70 -16.346 -1.062 3.056 1.00 0.00 C ATOM 1145 O PRO A 70 -15.650 -1.626 2.204 1.00 0.00 O ATOM 1146 CB PRO A 70 -18.379 0.122 2.134 1.00 0.00 C ATOM 1147 CG PRO A 70 -18.518 1.367 1.263 1.00 0.00 C ATOM 1148 CD PRO A 70 -17.090 1.590 0.770 1.00 0.00 C ATOM 0 HA PRO A 70 -17.054 0.787 3.747 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -18.436 -0.792 1.542 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -19.167 0.066 2.885 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -19.212 1.209 0.437 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -18.888 2.220 1.831 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -16.906 1.048 -0.158 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -16.906 2.645 0.565 1.00 0.00 H new ATOM 1156 N ASP A 71 -16.653 -1.637 4.219 1.00 0.00 N ATOM 1157 CA ASP A 71 -16.223 -2.985 4.589 1.00 0.00 C ATOM 1158 C ASP A 71 -16.694 -4.030 3.573 1.00 0.00 C ATOM 1159 O ASP A 71 -16.007 -5.023 3.360 1.00 0.00 O ATOM 1160 CB ASP A 71 -16.705 -3.355 5.999 1.00 0.00 C ATOM 1161 CG ASP A 71 -18.158 -3.865 6.034 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -19.089 -3.040 5.897 1.00 0.00 O ATOM 1163 OD2 ASP A 71 -18.378 -5.079 6.239 1.00 0.00 O ATOM 0 H ASP A 71 -17.212 -1.176 4.937 1.00 0.00 H new ATOM 0 HA ASP A 71 -15.133 -2.983 4.587 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -16.048 -4.122 6.410 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -16.619 -2.482 6.645 1.00 0.00 H new ATOM 1168 N ASP A 72 -17.823 -3.786 2.898 1.00 0.00 N ATOM 1169 CA ASP A 72 -18.362 -4.683 1.876 1.00 0.00 C ATOM 1170 C ASP A 72 -17.420 -4.813 0.675 1.00 0.00 C ATOM 1171 O ASP A 72 -17.337 -5.877 0.062 1.00 0.00 O ATOM 1172 CB ASP A 72 -19.734 -4.183 1.416 1.00 0.00 C ATOM 1173 CG ASP A 72 -20.346 -5.125 0.365 1.00 0.00 C ATOM 1174 OD1 ASP A 72 -20.715 -6.269 0.715 1.00 0.00 O ATOM 1175 OD2 ASP A 72 -20.514 -4.710 -0.803 1.00 0.00 O ATOM 0 H ASP A 72 -18.391 -2.953 3.049 1.00 0.00 H new ATOM 0 HA ASP A 72 -18.463 -5.672 2.322 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -20.403 -4.107 2.274 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -19.637 -3.181 0.998 1.00 0.00 H new ATOM 1180 N GLU A 73 -16.672 -3.749 0.366 1.00 0.00 N ATOM 1181 CA GLU A 73 -15.629 -3.771 -0.654 1.00 0.00 C ATOM 1182 C GLU A 73 -14.349 -4.332 -0.031 1.00 0.00 C ATOM 1183 O GLU A 73 -13.697 -5.203 -0.613 1.00 0.00 O ATOM 1184 CB GLU A 73 -15.374 -2.349 -1.189 1.00 0.00 C ATOM 1185 CG GLU A 73 -16.563 -1.732 -1.941 1.00 0.00 C ATOM 1186 CD GLU A 73 -16.835 -2.433 -3.286 1.00 0.00 C ATOM 1187 OE1 GLU A 73 -16.256 -2.022 -4.317 1.00 0.00 O ATOM 1188 OE2 GLU A 73 -17.649 -3.382 -3.337 1.00 0.00 O ATOM 0 H GLU A 73 -16.777 -2.843 0.823 1.00 0.00 H new ATOM 0 HA GLU A 73 -15.944 -4.399 -1.488 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -15.113 -1.701 -0.353 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.512 -2.374 -1.855 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -17.455 -1.791 -1.317 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -16.368 -0.674 -2.119 1.00 0.00 H new ATOM 1195 N CYS A 74 -14.012 -3.882 1.184 1.00 0.00 N ATOM 1196 CA CYS A 74 -12.757 -4.225 1.842 1.00 0.00 C ATOM 1197 C CYS A 74 -12.683 -5.674 2.343 1.00 0.00 C ATOM 1198 O CYS A 74 -11.685 -6.067 2.941 1.00 0.00 O ATOM 1199 CB CYS A 74 -12.420 -3.207 2.934 1.00 0.00 C ATOM 1200 SG CYS A 74 -12.335 -1.541 2.212 1.00 0.00 S ATOM 0 H CYS A 74 -14.609 -3.267 1.736 1.00 0.00 H new ATOM 0 HA CYS A 74 -11.985 -4.168 1.075 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -13.177 -3.236 3.718 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -11.468 -3.461 3.400 1.00 0.00 H new ATOM 0 HG CYS A 74 -13.262 -0.794 2.734 1.00 0.00 H new ATOM 1206 N LEU A 75 -13.718 -6.475 2.092 1.00 0.00 N ATOM 1207 CA LEU A 75 -13.734 -7.920 2.301 1.00 0.00 C ATOM 1208 C LEU A 75 -13.031 -8.647 1.153 1.00 0.00 C ATOM 1209 O LEU A 75 -12.688 -9.819 1.307 1.00 0.00 O ATOM 1210 CB LEU A 75 -15.190 -8.417 2.397 1.00 0.00 C ATOM 1211 CG LEU A 75 -15.767 -8.349 3.822 1.00 0.00 C ATOM 1212 CD1 LEU A 75 -17.290 -8.480 3.763 1.00 0.00 C ATOM 1213 CD2 LEU A 75 -15.194 -9.455 4.719 1.00 0.00 C ATOM 0 H LEU A 75 -14.601 -6.121 1.724 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.205 -8.134 3.229 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -15.814 -7.821 1.732 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -15.239 -9.446 2.042 1.00 0.00 H new ATOM 0 HG LEU A 75 -15.487 -7.387 4.252 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -17.699 -8.432 4.772 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -17.702 -7.667 3.165 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -17.556 -9.435 3.309 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -15.625 -9.374 5.717 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -15.438 -10.429 4.296 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.111 -9.348 4.782 1.00 0.00 H new ATOM 1225 N LYS A 76 -12.833 -7.987 0.005 1.00 0.00 N ATOM 1226 CA LYS A 76 -12.324 -8.624 -1.207 1.00 0.00 C ATOM 1227 C LYS A 76 -10.914 -8.137 -1.508 1.00 0.00 C ATOM 1228 O LYS A 76 -10.059 -8.948 -1.862 1.00 0.00 O ATOM 1229 CB LYS A 76 -13.264 -8.335 -2.391 1.00 0.00 C ATOM 1230 CG LYS A 76 -14.707 -8.831 -2.194 1.00 0.00 C ATOM 1231 CD LYS A 76 -14.819 -10.355 -2.035 1.00 0.00 C ATOM 1232 CE LYS A 76 -16.296 -10.764 -1.959 1.00 0.00 C ATOM 1233 NZ LYS A 76 -16.468 -12.233 -1.824 1.00 0.00 N ATOM 0 H LYS A 76 -13.024 -6.991 -0.105 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.287 -9.702 -1.050 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -13.284 -7.260 -2.569 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.853 -8.799 -3.287 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -15.130 -8.350 -1.312 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -15.309 -8.518 -3.047 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -14.337 -10.854 -2.876 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -14.297 -10.675 -1.133 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -16.765 -10.266 -1.111 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -16.812 -10.421 -2.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -17.482 -12.461 -1.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -16.044 -12.709 -2.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -15.999 -12.559 -0.955 1.00 0.00 H new ATOM 1247 N ASP A 77 -10.659 -6.838 -1.350 1.00 0.00 N ATOM 1248 CA ASP A 77 -9.360 -6.207 -1.598 1.00 0.00 C ATOM 1249 C ASP A 77 -9.376 -4.826 -0.939 1.00 0.00 C ATOM 1250 O ASP A 77 -10.453 -4.350 -0.581 1.00 0.00 O ATOM 1251 CB ASP A 77 -9.113 -6.086 -3.112 1.00 0.00 C ATOM 1252 CG ASP A 77 -7.717 -5.549 -3.449 1.00 0.00 C ATOM 1253 OD1 ASP A 77 -6.781 -5.785 -2.653 1.00 0.00 O ATOM 1254 OD2 ASP A 77 -7.554 -4.945 -4.532 1.00 0.00 O ATOM 0 H ASP A 77 -11.369 -6.176 -1.037 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.554 -6.809 -1.178 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.242 -7.064 -3.575 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.865 -5.427 -3.546 1.00 0.00 H new ATOM 1259 N MET A 78 -8.232 -4.174 -0.732 1.00 0.00 N ATOM 1260 CA MET A 78 -8.205 -2.856 -0.096 1.00 0.00 C ATOM 1261 C MET A 78 -8.554 -1.790 -1.133 1.00 0.00 C ATOM 1262 O MET A 78 -7.921 -1.712 -2.189 1.00 0.00 O ATOM 1263 CB MET A 78 -6.832 -2.565 0.522 1.00 0.00 C ATOM 1264 CG MET A 78 -6.486 -3.492 1.691 1.00 0.00 C ATOM 1265 SD MET A 78 -7.617 -3.484 3.114 1.00 0.00 S ATOM 1266 CE MET A 78 -8.533 -5.022 2.795 1.00 0.00 C ATOM 0 H MET A 78 -7.315 -4.535 -0.994 1.00 0.00 H new ATOM 0 HA MET A 78 -8.940 -2.841 0.709 1.00 0.00 H new ATOM 0 HB2 MET A 78 -6.067 -2.661 -0.248 1.00 0.00 H new ATOM 0 HB3 MET A 78 -6.808 -1.531 0.867 1.00 0.00 H new ATOM 0 HG2 MET A 78 -6.429 -4.511 1.309 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.490 -3.229 2.048 1.00 0.00 H new ATOM 0 HE1 MET A 78 -9.063 -5.324 3.698 1.00 0.00 H new ATOM 0 HE2 MET A 78 -9.251 -4.858 1.991 1.00 0.00 H new ATOM 0 HE3 MET A 78 -7.835 -5.807 2.504 1.00 0.00 H new ATOM 1276 N TYR A 79 -9.513 -0.921 -0.807 1.00 0.00 N ATOM 1277 CA TYR A 79 -9.991 0.137 -1.687 1.00 0.00 C ATOM 1278 C TYR A 79 -10.201 1.419 -0.882 1.00 0.00 C ATOM 1279 O TYR A 79 -10.395 1.374 0.335 1.00 0.00 O ATOM 1280 CB TYR A 79 -11.317 -0.276 -2.347 1.00 0.00 C ATOM 1281 CG TYR A 79 -11.312 -1.477 -3.277 1.00 0.00 C ATOM 1282 CD1 TYR A 79 -10.917 -1.341 -4.621 1.00 0.00 C ATOM 1283 CD2 TYR A 79 -11.818 -2.710 -2.825 1.00 0.00 C ATOM 1284 CE1 TYR A 79 -11.027 -2.427 -5.508 1.00 0.00 C ATOM 1285 CE2 TYR A 79 -11.948 -3.796 -3.705 1.00 0.00 C ATOM 1286 CZ TYR A 79 -11.548 -3.661 -5.055 1.00 0.00 C ATOM 1287 OH TYR A 79 -11.666 -4.701 -5.928 1.00 0.00 O ATOM 0 H TYR A 79 -9.986 -0.937 0.096 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.247 0.310 -2.464 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -12.037 -0.473 -1.553 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -11.689 0.580 -2.910 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -10.527 -0.397 -4.973 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -12.109 -2.822 -1.791 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -10.713 -2.318 -6.536 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -12.353 -4.733 -3.352 1.00 0.00 H new ATOM 0 HH TYR A 79 -12.039 -5.478 -5.462 1.00 0.00 H new ATOM 1297 N VAL A 80 -10.200 2.554 -1.576 1.00 0.00 N ATOM 1298 CA VAL A 80 -10.293 3.889 -1.007 1.00 0.00 C ATOM 1299 C VAL A 80 -11.197 4.729 -1.902 1.00 0.00 C ATOM 1300 O VAL A 80 -11.172 4.593 -3.127 1.00 0.00 O ATOM 1301 CB VAL A 80 -8.894 4.529 -0.862 1.00 0.00 C ATOM 1302 CG1 VAL A 80 -8.158 4.003 0.374 1.00 0.00 C ATOM 1303 CG2 VAL A 80 -7.984 4.335 -2.088 1.00 0.00 C ATOM 0 H VAL A 80 -10.131 2.565 -2.594 1.00 0.00 H new ATOM 0 HA VAL A 80 -10.719 3.836 -0.005 1.00 0.00 H new ATOM 0 HB VAL A 80 -9.095 5.596 -0.761 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.178 4.476 0.443 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.736 4.235 1.268 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.035 2.923 0.292 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.022 4.813 -1.906 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.832 3.270 -2.264 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -8.453 4.784 -2.964 1.00 0.00 H new ATOM 1313 N GLU A 81 -12.005 5.585 -1.287 1.00 0.00 N ATOM 1314 CA GLU A 81 -12.795 6.581 -1.990 1.00 0.00 C ATOM 1315 C GLU A 81 -11.858 7.731 -2.355 1.00 0.00 C ATOM 1316 O GLU A 81 -11.041 8.157 -1.531 1.00 0.00 O ATOM 1317 CB GLU A 81 -13.945 7.081 -1.104 1.00 0.00 C ATOM 1318 CG GLU A 81 -14.971 5.978 -0.808 1.00 0.00 C ATOM 1319 CD GLU A 81 -16.202 6.536 -0.071 1.00 0.00 C ATOM 1320 OE1 GLU A 81 -16.125 6.800 1.150 1.00 0.00 O ATOM 1321 OE2 GLU A 81 -17.270 6.700 -0.704 1.00 0.00 O ATOM 0 H GLU A 81 -12.129 5.605 -0.275 1.00 0.00 H new ATOM 0 HA GLU A 81 -13.241 6.152 -2.888 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -13.540 7.460 -0.165 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -14.444 7.916 -1.596 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -15.285 5.512 -1.742 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -14.506 5.199 -0.204 1.00 0.00 H new ATOM 1328 N VAL A 82 -11.984 8.250 -3.573 1.00 0.00 N ATOM 1329 CA VAL A 82 -11.084 9.256 -4.122 1.00 0.00 C ATOM 1330 C VAL A 82 -11.883 10.275 -4.926 1.00 0.00 C ATOM 1331 O VAL A 82 -12.878 9.919 -5.553 1.00 0.00 O ATOM 1332 CB VAL A 82 -9.990 8.603 -4.999 1.00 0.00 C ATOM 1333 CG1 VAL A 82 -8.923 7.905 -4.152 1.00 0.00 C ATOM 1334 CG2 VAL A 82 -10.528 7.607 -6.039 1.00 0.00 C ATOM 0 H VAL A 82 -12.727 7.978 -4.216 1.00 0.00 H new ATOM 0 HA VAL A 82 -10.585 9.766 -3.298 1.00 0.00 H new ATOM 0 HB VAL A 82 -9.549 9.438 -5.543 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -8.173 7.459 -4.806 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -8.446 8.633 -3.496 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -9.389 7.125 -3.550 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.697 7.195 -6.612 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.055 6.799 -5.531 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -11.214 8.120 -6.713 1.00 0.00 H new ATOM 1344 N ALA A 83 -11.431 11.525 -4.962 1.00 0.00 N ATOM 1345 CA ALA A 83 -12.004 12.583 -5.777 1.00 0.00 C ATOM 1346 C ALA A 83 -10.878 13.153 -6.629 1.00 0.00 C ATOM 1347 O ALA A 83 -9.785 13.418 -6.126 1.00 0.00 O ATOM 1348 CB ALA A 83 -12.637 13.657 -4.888 1.00 0.00 C ATOM 0 H ALA A 83 -10.633 11.835 -4.408 1.00 0.00 H new ATOM 0 HA ALA A 83 -12.798 12.200 -6.418 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -13.062 14.443 -5.513 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -13.425 13.210 -4.282 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -11.876 14.084 -4.236 1.00 0.00 H new ATOM 1354 N ASP A 84 -11.133 13.293 -7.925 1.00 0.00 N ATOM 1355 CA ASP A 84 -10.160 13.788 -8.892 1.00 0.00 C ATOM 1356 C ASP A 84 -9.912 15.278 -8.638 1.00 0.00 C ATOM 1357 O ASP A 84 -10.862 16.059 -8.558 1.00 0.00 O ATOM 1358 CB ASP A 84 -10.695 13.501 -10.305 1.00 0.00 C ATOM 1359 CG ASP A 84 -9.740 13.896 -11.446 1.00 0.00 C ATOM 1360 OD1 ASP A 84 -8.622 14.386 -11.183 1.00 0.00 O ATOM 1361 OD2 ASP A 84 -10.099 13.659 -12.622 1.00 0.00 O ATOM 0 H ASP A 84 -12.036 13.062 -8.340 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.199 13.285 -8.791 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -10.916 12.437 -10.386 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -11.637 14.033 -10.437 1.00 0.00 H new ATOM 1366 N ILE A 85 -8.646 15.666 -8.455 1.00 0.00 N ATOM 1367 CA ILE A 85 -8.231 17.059 -8.283 1.00 0.00 C ATOM 1368 C ILE A 85 -7.884 17.654 -9.661 1.00 0.00 C ATOM 1369 O ILE A 85 -8.065 18.853 -9.881 1.00 0.00 O ATOM 1370 CB ILE A 85 -7.027 17.152 -7.306 1.00 0.00 C ATOM 1371 CG1 ILE A 85 -7.295 16.458 -5.948 1.00 0.00 C ATOM 1372 CG2 ILE A 85 -6.648 18.618 -7.019 1.00 0.00 C ATOM 1373 CD1 ILE A 85 -6.051 16.374 -5.049 1.00 0.00 C ATOM 0 H ILE A 85 -7.868 15.007 -8.422 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.047 17.635 -7.847 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.210 16.637 -7.811 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.080 17.000 -5.420 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -7.671 15.451 -6.131 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -5.802 18.647 -6.332 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.376 19.113 -7.951 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.498 19.132 -6.570 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.310 15.877 -4.114 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.272 15.807 -5.558 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.687 17.379 -4.836 1.00 0.00 H new ATOM 1457 N VAL A 92 -16.778 11.859 -7.069 1.00 0.00 N ATOM 1458 CA VAL A 92 -16.022 10.882 -6.301 1.00 0.00 C ATOM 1459 C VAL A 92 -16.115 9.506 -6.975 1.00 0.00 C ATOM 1460 O VAL A 92 -17.092 9.182 -7.657 1.00 0.00 O ATOM 1461 CB VAL A 92 -16.541 10.915 -4.844 1.00 0.00 C ATOM 1462 CG1 VAL A 92 -17.995 10.436 -4.695 1.00 0.00 C ATOM 1463 CG2 VAL A 92 -15.652 10.161 -3.846 1.00 0.00 C ATOM 0 HA VAL A 92 -14.958 11.118 -6.272 1.00 0.00 H new ATOM 0 HB VAL A 92 -16.502 11.975 -4.594 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -18.289 10.487 -3.647 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -18.651 11.074 -5.287 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -18.077 9.407 -5.045 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -16.084 10.232 -2.848 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -15.584 9.113 -4.139 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -14.655 10.602 -3.841 1.00 0.00 H new ATOM 1473 N TYR A 93 -15.073 8.709 -6.763 1.00 0.00 N ATOM 1474 CA TYR A 93 -14.833 7.395 -7.336 1.00 0.00 C ATOM 1475 C TYR A 93 -14.215 6.506 -6.247 1.00 0.00 C ATOM 1476 O TYR A 93 -14.033 6.933 -5.103 1.00 0.00 O ATOM 1477 CB TYR A 93 -13.884 7.538 -8.544 1.00 0.00 C ATOM 1478 CG TYR A 93 -14.414 8.358 -9.708 1.00 0.00 C ATOM 1479 CD1 TYR A 93 -15.172 7.733 -10.717 1.00 0.00 C ATOM 1480 CD2 TYR A 93 -14.116 9.732 -9.806 1.00 0.00 C ATOM 1481 CE1 TYR A 93 -15.621 8.470 -11.827 1.00 0.00 C ATOM 1482 CE2 TYR A 93 -14.567 10.478 -10.911 1.00 0.00 C ATOM 1483 CZ TYR A 93 -15.316 9.847 -11.932 1.00 0.00 C ATOM 1484 OH TYR A 93 -15.719 10.562 -13.021 1.00 0.00 O ATOM 0 H TYR A 93 -14.318 8.989 -6.137 1.00 0.00 H new ATOM 0 HA TYR A 93 -15.760 6.940 -7.685 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -12.954 7.990 -8.200 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -13.638 6.541 -8.909 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -15.410 6.682 -10.638 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -13.540 10.214 -9.030 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -16.199 7.985 -12.600 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -14.341 11.532 -10.979 1.00 0.00 H new ATOM 0 HH TYR A 93 -15.425 11.492 -12.928 1.00 0.00 H new ATOM 1494 N THR A 94 -13.855 5.279 -6.616 1.00 0.00 N ATOM 1495 CA THR A 94 -13.162 4.331 -5.754 1.00 0.00 C ATOM 1496 C THR A 94 -11.949 3.806 -6.528 1.00 0.00 C ATOM 1497 O THR A 94 -12.040 3.557 -7.734 1.00 0.00 O ATOM 1498 CB THR A 94 -14.131 3.212 -5.319 1.00 0.00 C ATOM 1499 OG1 THR A 94 -15.357 3.751 -4.854 1.00 0.00 O ATOM 1500 CG2 THR A 94 -13.554 2.351 -4.192 1.00 0.00 C ATOM 0 H THR A 94 -14.043 4.909 -7.548 1.00 0.00 H new ATOM 0 HA THR A 94 -12.811 4.801 -4.836 1.00 0.00 H new ATOM 0 HB THR A 94 -14.290 2.597 -6.205 1.00 0.00 H new ATOM 0 HG1 THR A 94 -15.954 3.022 -4.586 1.00 0.00 H new ATOM 0 HG21 THR A 94 -14.273 1.578 -3.921 1.00 0.00 H new ATOM 0 HG22 THR A 94 -12.628 1.884 -4.528 1.00 0.00 H new ATOM 0 HG23 THR A 94 -13.350 2.977 -3.324 1.00 0.00 H new ATOM 1508 N ALA A 95 -10.827 3.637 -5.830 1.00 0.00 N ATOM 1509 CA ALA A 95 -9.571 3.127 -6.360 1.00 0.00 C ATOM 1510 C ALA A 95 -9.090 2.013 -5.436 1.00 0.00 C ATOM 1511 O ALA A 95 -9.382 2.034 -4.239 1.00 0.00 O ATOM 1512 CB ALA A 95 -8.542 4.264 -6.403 1.00 0.00 C ATOM 0 H ALA A 95 -10.770 3.863 -4.837 1.00 0.00 H new ATOM 0 HA ALA A 95 -9.703 2.740 -7.370 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -7.599 3.887 -6.799 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -8.911 5.065 -7.044 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -8.384 4.650 -5.396 1.00 0.00 H new ATOM 1518 N LYS A 96 -8.350 1.035 -5.963 1.00 0.00 N ATOM 1519 CA LYS A 96 -7.677 0.068 -5.109 1.00 0.00 C ATOM 1520 C LYS A 96 -6.510 0.788 -4.453 1.00 0.00 C ATOM 1521 O LYS A 96 -5.792 1.540 -5.115 1.00 0.00 O ATOM 1522 CB LYS A 96 -7.293 -1.205 -5.875 1.00 0.00 C ATOM 1523 CG LYS A 96 -6.379 -0.998 -7.092 1.00 0.00 C ATOM 1524 CD LYS A 96 -6.182 -2.307 -7.866 1.00 0.00 C ATOM 1525 CE LYS A 96 -7.450 -2.702 -8.640 1.00 0.00 C ATOM 1526 NZ LYS A 96 -7.273 -3.961 -9.408 1.00 0.00 N ATOM 0 H LYS A 96 -8.206 0.897 -6.963 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.341 -0.301 -4.327 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.799 -1.888 -5.184 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -8.207 -1.696 -6.209 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -6.811 -0.244 -7.751 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -5.412 -0.618 -6.763 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -5.350 -2.198 -8.561 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -5.915 -3.104 -7.172 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -8.278 -2.819 -7.941 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -7.721 -1.897 -9.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -8.154 -4.186 -9.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -6.501 -3.843 -10.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -7.040 -4.736 -8.755 1.00 0.00 H new ATOM 1540 N LEU A 97 -6.294 0.532 -3.166 1.00 0.00 N ATOM 1541 CA LEU A 97 -5.143 1.053 -2.429 1.00 0.00 C ATOM 1542 C LEU A 97 -3.836 0.630 -3.116 1.00 0.00 C ATOM 1543 O LEU A 97 -2.848 1.357 -3.071 1.00 0.00 O ATOM 1544 CB LEU A 97 -5.205 0.556 -0.974 1.00 0.00 C ATOM 1545 CG LEU A 97 -4.141 1.169 -0.040 1.00 0.00 C ATOM 1546 CD1 LEU A 97 -4.297 2.690 0.095 1.00 0.00 C ATOM 1547 CD2 LEU A 97 -4.267 0.532 1.347 1.00 0.00 C ATOM 0 H LEU A 97 -6.915 -0.046 -2.600 1.00 0.00 H new ATOM 0 HA LEU A 97 -5.170 2.143 -2.423 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -6.193 0.776 -0.571 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.093 -0.528 -0.969 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.162 0.970 -0.475 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.526 3.077 0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.195 3.155 -0.886 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.280 2.920 0.505 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.518 0.960 2.013 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.262 0.726 1.747 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.111 -0.544 1.269 1.00 0.00 H new ATOM 1559 N SER A 98 -3.857 -0.512 -3.808 1.00 0.00 N ATOM 1560 CA SER A 98 -2.752 -1.052 -4.590 1.00 0.00 C ATOM 1561 C SER A 98 -2.306 -0.132 -5.741 1.00 0.00 C ATOM 1562 O SER A 98 -1.188 -0.279 -6.235 1.00 0.00 O ATOM 1563 CB SER A 98 -3.204 -2.410 -5.138 1.00 0.00 C ATOM 1564 OG SER A 98 -3.812 -3.168 -4.103 1.00 0.00 O ATOM 0 H SER A 98 -4.684 -1.109 -3.837 1.00 0.00 H new ATOM 0 HA SER A 98 -1.881 -1.146 -3.941 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.908 -2.266 -5.957 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.349 -2.951 -5.544 1.00 0.00 H new ATOM 0 HG SER A 98 -4.101 -4.034 -4.458 1.00 0.00 H new ATOM 1570 N ASP A 99 -3.148 0.824 -6.149 1.00 0.00 N ATOM 1571 CA ASP A 99 -2.903 1.738 -7.266 1.00 0.00 C ATOM 1572 C ASP A 99 -2.782 3.174 -6.734 1.00 0.00 C ATOM 1573 O ASP A 99 -2.775 4.119 -7.515 1.00 0.00 O ATOM 1574 CB ASP A 99 -4.019 1.610 -8.333 1.00 0.00 C ATOM 1575 CG ASP A 99 -3.813 0.505 -9.388 1.00 0.00 C ATOM 1576 OD1 ASP A 99 -3.065 -0.470 -9.149 1.00 0.00 O ATOM 1577 OD2 ASP A 99 -4.449 0.605 -10.464 1.00 0.00 O ATOM 0 H ASP A 99 -4.047 0.987 -5.695 1.00 0.00 H new ATOM 0 HA ASP A 99 -1.965 1.474 -7.754 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -4.965 1.427 -7.823 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -4.114 2.566 -8.849 1.00 0.00 H new ATOM 1582 N ILE A 100 -2.676 3.379 -5.418 1.00 0.00 N ATOM 1583 CA ILE A 100 -2.546 4.700 -4.807 1.00 0.00 C ATOM 1584 C ILE A 100 -1.152 4.829 -4.215 1.00 0.00 C ATOM 1585 O ILE A 100 -0.562 3.877 -3.698 1.00 0.00 O ATOM 1586 CB ILE A 100 -3.691 4.933 -3.790 1.00 0.00 C ATOM 1587 CG1 ILE A 100 -4.952 5.348 -4.574 1.00 0.00 C ATOM 1588 CG2 ILE A 100 -3.392 5.933 -2.652 1.00 0.00 C ATOM 1589 CD1 ILE A 100 -5.103 6.836 -4.896 1.00 0.00 C ATOM 0 H ILE A 100 -2.678 2.618 -4.739 1.00 0.00 H new ATOM 0 HA ILE A 100 -2.651 5.491 -5.550 1.00 0.00 H new ATOM 0 HB ILE A 100 -3.832 3.989 -3.263 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -4.967 4.794 -5.512 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -5.826 5.033 -4.004 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -4.263 6.016 -2.003 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -2.539 5.580 -2.072 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.162 6.910 -3.077 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.029 6.997 -5.449 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.130 7.408 -3.969 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.258 7.165 -5.501 1.00 0.00 H new ATOM 1601 N GLU A 101 -0.660 6.058 -4.279 1.00 0.00 N ATOM 1602 CA GLU A 101 0.594 6.492 -3.686 1.00 0.00 C ATOM 1603 C GLU A 101 0.306 7.854 -3.057 1.00 0.00 C ATOM 1604 O GLU A 101 -0.166 8.755 -3.750 1.00 0.00 O ATOM 1605 CB GLU A 101 1.666 6.564 -4.787 1.00 0.00 C ATOM 1606 CG GLU A 101 3.054 6.902 -4.228 1.00 0.00 C ATOM 1607 CD GLU A 101 4.088 7.068 -5.355 1.00 0.00 C ATOM 1608 OE1 GLU A 101 4.439 6.067 -6.020 1.00 0.00 O ATOM 1609 OE2 GLU A 101 4.568 8.201 -5.584 1.00 0.00 O ATOM 0 H GLU A 101 -1.146 6.811 -4.767 1.00 0.00 H new ATOM 0 HA GLU A 101 0.973 5.809 -2.926 1.00 0.00 H new ATOM 0 HB2 GLU A 101 1.710 5.609 -5.310 1.00 0.00 H new ATOM 0 HB3 GLU A 101 1.379 7.317 -5.521 1.00 0.00 H new ATOM 0 HG2 GLU A 101 2.999 7.821 -3.644 1.00 0.00 H new ATOM 0 HG3 GLU A 101 3.377 6.112 -3.549 1.00 0.00 H new ATOM 1616 N ALA A 102 0.524 8.014 -1.750 1.00 0.00 N ATOM 1617 CA ALA A 102 0.246 9.284 -1.089 1.00 0.00 C ATOM 1618 C ALA A 102 1.305 10.321 -1.458 1.00 0.00 C ATOM 1619 O ALA A 102 2.455 9.988 -1.755 1.00 0.00 O ATOM 1620 CB ALA A 102 0.216 9.120 0.429 1.00 0.00 C ATOM 0 H ALA A 102 0.889 7.286 -1.136 1.00 0.00 H new ATOM 0 HA ALA A 102 -0.733 9.623 -1.428 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.007 10.083 0.895 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -0.562 8.408 0.703 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.182 8.752 0.774 1.00 0.00 H new ATOM 1626 N ILE A 103 0.913 11.588 -1.352 1.00 0.00 N ATOM 1627 CA ILE A 103 1.761 12.745 -1.595 1.00 0.00 C ATOM 1628 C ILE A 103 1.809 13.551 -0.293 1.00 0.00 C ATOM 1629 O ILE A 103 0.769 13.866 0.289 1.00 0.00 O ATOM 1630 CB ILE A 103 1.202 13.559 -2.788 1.00 0.00 C ATOM 1631 CG1 ILE A 103 1.190 12.739 -4.103 1.00 0.00 C ATOM 1632 CG2 ILE A 103 2.016 14.848 -3.003 1.00 0.00 C ATOM 1633 CD1 ILE A 103 0.310 13.363 -5.194 1.00 0.00 C ATOM 0 H ILE A 103 -0.038 11.843 -1.085 1.00 0.00 H new ATOM 0 HA ILE A 103 2.777 12.460 -1.869 1.00 0.00 H new ATOM 0 HB ILE A 103 0.173 13.813 -2.534 1.00 0.00 H new ATOM 0 HG12 ILE A 103 2.210 12.647 -4.476 1.00 0.00 H new ATOM 0 HG13 ILE A 103 0.836 11.730 -3.892 1.00 0.00 H new ATOM 0 HG21 ILE A 103 1.604 15.402 -3.846 1.00 0.00 H new ATOM 0 HG22 ILE A 103 1.966 15.464 -2.105 1.00 0.00 H new ATOM 0 HG23 ILE A 103 3.055 14.592 -3.210 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.344 12.741 -6.089 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -0.718 13.430 -4.838 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.678 14.361 -5.431 1.00 0.00 H new ATOM 1645 N ASP A 104 3.031 13.908 0.119 1.00 0.00 N ATOM 1646 CA ASP A 104 3.341 14.808 1.236 1.00 0.00 C ATOM 1647 C ASP A 104 2.573 14.470 2.526 1.00 0.00 C ATOM 1648 O ASP A 104 2.079 15.354 3.232 1.00 0.00 O ATOM 1649 CB ASP A 104 3.189 16.270 0.783 1.00 0.00 C ATOM 1650 CG ASP A 104 3.713 17.276 1.827 1.00 0.00 C ATOM 1651 OD1 ASP A 104 4.826 17.083 2.367 1.00 0.00 O ATOM 1652 OD2 ASP A 104 3.043 18.307 2.069 1.00 0.00 O ATOM 0 H ASP A 104 3.872 13.560 -0.340 1.00 0.00 H new ATOM 0 HA ASP A 104 4.383 14.656 1.516 1.00 0.00 H new ATOM 0 HB2 ASP A 104 3.727 16.413 -0.154 1.00 0.00 H new ATOM 0 HB3 ASP A 104 2.138 16.476 0.582 1.00 0.00 H new ATOM 1657 N VAL A 105 2.426 13.172 2.816 1.00 0.00 N ATOM 1658 CA VAL A 105 1.624 12.685 3.941 1.00 0.00 C ATOM 1659 C VAL A 105 2.506 12.364 5.159 1.00 0.00 C ATOM 1660 O VAL A 105 3.738 12.388 5.068 1.00 0.00 O ATOM 1661 CB VAL A 105 0.724 11.527 3.457 1.00 0.00 C ATOM 1662 CG1 VAL A 105 1.399 10.147 3.464 1.00 0.00 C ATOM 1663 CG2 VAL A 105 -0.601 11.510 4.220 1.00 0.00 C ATOM 0 H VAL A 105 2.863 12.427 2.273 1.00 0.00 H new ATOM 0 HA VAL A 105 0.953 13.465 4.301 1.00 0.00 H new ATOM 0 HB VAL A 105 0.524 11.732 2.405 1.00 0.00 H new ATOM 0 HG11 VAL A 105 0.694 9.395 3.109 1.00 0.00 H new ATOM 0 HG12 VAL A 105 2.270 10.165 2.809 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.713 9.900 4.478 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.217 10.686 3.861 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.406 11.381 5.285 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.126 12.452 4.059 1.00 0.00 H new ATOM 1673 N ASP A 106 1.881 12.092 6.311 1.00 0.00 N ATOM 1674 CA ASP A 106 2.595 11.777 7.549 1.00 0.00 C ATOM 1675 C ASP A 106 3.087 10.330 7.534 1.00 0.00 C ATOM 1676 O ASP A 106 2.619 9.495 6.757 1.00 0.00 O ATOM 1677 CB ASP A 106 1.703 12.003 8.778 1.00 0.00 C ATOM 1678 CG ASP A 106 2.468 12.057 10.115 1.00 0.00 C ATOM 1679 OD1 ASP A 106 3.697 12.294 10.125 1.00 0.00 O ATOM 1680 OD2 ASP A 106 1.829 11.873 11.175 1.00 0.00 O ATOM 0 H ASP A 106 0.866 12.085 6.409 1.00 0.00 H new ATOM 0 HA ASP A 106 3.452 12.447 7.612 1.00 0.00 H new ATOM 0 HB2 ASP A 106 1.155 12.936 8.648 1.00 0.00 H new ATOM 0 HB3 ASP A 106 0.964 11.204 8.828 1.00 0.00 H new ATOM 1685 N ASP A 107 4.009 10.034 8.441 1.00 0.00 N ATOM 1686 CA ASP A 107 4.777 8.791 8.490 1.00 0.00 C ATOM 1687 C ASP A 107 3.881 7.564 8.604 1.00 0.00 C ATOM 1688 O ASP A 107 4.104 6.589 7.894 1.00 0.00 O ATOM 1689 CB ASP A 107 5.760 8.835 9.663 1.00 0.00 C ATOM 1690 CG ASP A 107 6.556 7.524 9.770 1.00 0.00 C ATOM 1691 OD1 ASP A 107 7.480 7.308 8.953 1.00 0.00 O ATOM 1692 OD2 ASP A 107 6.302 6.732 10.705 1.00 0.00 O ATOM 0 H ASP A 107 4.254 10.677 9.194 1.00 0.00 H new ATOM 0 HA ASP A 107 5.325 8.705 7.552 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.447 9.671 9.534 1.00 0.00 H new ATOM 0 HB3 ASP A 107 5.216 9.010 10.591 1.00 0.00 H new ATOM 1697 N ASP A 108 2.843 7.615 9.445 1.00 0.00 N ATOM 1698 CA ASP A 108 1.944 6.478 9.643 1.00 0.00 C ATOM 1699 C ASP A 108 1.148 6.202 8.367 1.00 0.00 C ATOM 1700 O ASP A 108 1.053 5.055 7.930 1.00 0.00 O ATOM 1701 CB ASP A 108 0.982 6.725 10.816 1.00 0.00 C ATOM 1702 CG ASP A 108 1.636 6.452 12.178 1.00 0.00 C ATOM 1703 OD1 ASP A 108 1.834 5.269 12.535 1.00 0.00 O ATOM 1704 OD2 ASP A 108 1.938 7.419 12.914 1.00 0.00 O ATOM 0 H ASP A 108 2.606 8.437 10.001 1.00 0.00 H new ATOM 0 HA ASP A 108 2.555 5.607 9.881 1.00 0.00 H new ATOM 0 HB2 ASP A 108 0.633 7.757 10.784 1.00 0.00 H new ATOM 0 HB3 ASP A 108 0.105 6.088 10.703 1.00 0.00 H new ATOM 1709 N THR A 109 0.608 7.247 7.733 1.00 0.00 N ATOM 1710 CA THR A 109 -0.175 7.093 6.512 1.00 0.00 C ATOM 1711 C THR A 109 0.728 6.542 5.400 1.00 0.00 C ATOM 1712 O THR A 109 0.334 5.611 4.692 1.00 0.00 O ATOM 1713 CB THR A 109 -0.860 8.433 6.172 1.00 0.00 C ATOM 1714 OG1 THR A 109 -1.636 8.871 7.280 1.00 0.00 O ATOM 1715 CG2 THR A 109 -1.852 8.349 5.016 1.00 0.00 C ATOM 0 H THR A 109 0.702 8.212 8.050 1.00 0.00 H new ATOM 0 HA THR A 109 -0.978 6.367 6.639 1.00 0.00 H new ATOM 0 HB THR A 109 -0.041 9.103 5.909 1.00 0.00 H new ATOM 0 HG1 THR A 109 -2.068 9.723 7.061 1.00 0.00 H new ATOM 0 HG21 THR A 109 -2.290 9.332 4.840 1.00 0.00 H new ATOM 0 HG22 THR A 109 -1.335 8.016 4.116 1.00 0.00 H new ATOM 0 HG23 THR A 109 -2.641 7.639 5.265 1.00 0.00 H new ATOM 1723 N GLN A 110 1.964 7.045 5.293 1.00 0.00 N ATOM 1724 CA GLN A 110 2.929 6.553 4.325 1.00 0.00 C ATOM 1725 C GLN A 110 3.252 5.078 4.609 1.00 0.00 C ATOM 1726 O GLN A 110 3.248 4.273 3.683 1.00 0.00 O ATOM 1727 CB GLN A 110 4.183 7.450 4.346 1.00 0.00 C ATOM 1728 CG GLN A 110 4.926 7.492 3.002 1.00 0.00 C ATOM 1729 CD GLN A 110 5.503 6.140 2.577 1.00 0.00 C ATOM 1730 OE1 GLN A 110 6.391 5.593 3.226 1.00 0.00 O ATOM 1731 NE2 GLN A 110 5.014 5.572 1.485 1.00 0.00 N ATOM 0 H GLN A 110 2.315 7.803 5.878 1.00 0.00 H new ATOM 0 HA GLN A 110 2.511 6.599 3.319 1.00 0.00 H new ATOM 0 HB2 GLN A 110 3.891 8.463 4.623 1.00 0.00 H new ATOM 0 HB3 GLN A 110 4.864 7.092 5.118 1.00 0.00 H new ATOM 0 HG2 GLN A 110 4.242 7.845 2.230 1.00 0.00 H new ATOM 0 HG3 GLN A 110 5.736 8.219 3.067 1.00 0.00 H new ATOM 0 HE21 GLN A 110 4.277 6.037 0.955 1.00 0.00 H new ATOM 0 HE22 GLN A 110 5.375 4.670 1.174 1.00 0.00 H new ATOM 1740 N GLU A 111 3.480 4.702 5.869 1.00 0.00 N ATOM 1741 CA GLU A 111 3.839 3.342 6.262 1.00 0.00 C ATOM 1742 C GLU A 111 2.766 2.333 5.874 1.00 0.00 C ATOM 1743 O GLU A 111 3.097 1.273 5.343 1.00 0.00 O ATOM 1744 CB GLU A 111 4.077 3.279 7.780 1.00 0.00 C ATOM 1745 CG GLU A 111 5.534 3.582 8.134 1.00 0.00 C ATOM 1746 CD GLU A 111 6.438 2.376 7.822 1.00 0.00 C ATOM 1747 OE1 GLU A 111 6.314 1.330 8.495 1.00 0.00 O ATOM 1748 OE2 GLU A 111 7.266 2.431 6.887 1.00 0.00 O ATOM 0 H GLU A 111 3.419 5.347 6.657 1.00 0.00 H new ATOM 0 HA GLU A 111 4.753 3.080 5.730 1.00 0.00 H new ATOM 0 HB2 GLU A 111 3.424 3.993 8.281 1.00 0.00 H new ATOM 0 HB3 GLU A 111 3.810 2.289 8.150 1.00 0.00 H new ATOM 0 HG2 GLU A 111 5.875 4.452 7.573 1.00 0.00 H new ATOM 0 HG3 GLU A 111 5.610 3.835 9.192 1.00 0.00 H new ATOM 1755 N ALA A 112 1.495 2.661 6.109 1.00 0.00 N ATOM 1756 CA ALA A 112 0.386 1.788 5.738 1.00 0.00 C ATOM 1757 C ALA A 112 0.383 1.529 4.229 1.00 0.00 C ATOM 1758 O ALA A 112 0.221 0.389 3.793 1.00 0.00 O ATOM 1759 CB ALA A 112 -0.934 2.426 6.170 1.00 0.00 C ATOM 0 H ALA A 112 1.209 3.531 6.558 1.00 0.00 H new ATOM 0 HA ALA A 112 0.505 0.831 6.245 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -1.762 1.773 5.892 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -0.932 2.570 7.250 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -1.051 3.390 5.676 1.00 0.00 H new ATOM 1765 N ILE A 113 0.573 2.583 3.433 1.00 0.00 N ATOM 1766 CA ILE A 113 0.575 2.494 1.978 1.00 0.00 C ATOM 1767 C ILE A 113 1.793 1.695 1.514 1.00 0.00 C ATOM 1768 O ILE A 113 1.639 0.767 0.724 1.00 0.00 O ATOM 1769 CB ILE A 113 0.518 3.923 1.403 1.00 0.00 C ATOM 1770 CG1 ILE A 113 -0.886 4.495 1.685 1.00 0.00 C ATOM 1771 CG2 ILE A 113 0.843 3.983 -0.098 1.00 0.00 C ATOM 1772 CD1 ILE A 113 -0.928 6.015 1.634 1.00 0.00 C ATOM 0 H ILE A 113 0.731 3.527 3.786 1.00 0.00 H new ATOM 0 HA ILE A 113 -0.299 1.958 1.608 1.00 0.00 H new ATOM 0 HB ILE A 113 1.286 4.523 1.891 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.590 4.093 0.956 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -1.218 4.160 2.668 1.00 0.00 H new ATOM 0 HG21 ILE A 113 0.786 5.016 -0.442 1.00 0.00 H new ATOM 0 HG22 ILE A 113 1.849 3.599 -0.268 1.00 0.00 H new ATOM 0 HG23 ILE A 113 0.125 3.377 -0.650 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.942 6.358 1.840 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.248 6.423 2.381 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.625 6.354 0.644 1.00 0.00 H new ATOM 1784 N ALA A 114 2.984 2.017 2.023 1.00 0.00 N ATOM 1785 CA ALA A 114 4.217 1.318 1.692 1.00 0.00 C ATOM 1786 C ALA A 114 4.075 -0.177 1.976 1.00 0.00 C ATOM 1787 O ALA A 114 4.336 -0.992 1.098 1.00 0.00 O ATOM 1788 CB ALA A 114 5.381 1.910 2.495 1.00 0.00 C ATOM 0 H ALA A 114 3.116 2.782 2.685 1.00 0.00 H new ATOM 0 HA ALA A 114 4.422 1.445 0.629 1.00 0.00 H new ATOM 0 HB1 ALA A 114 6.302 1.383 2.244 1.00 0.00 H new ATOM 0 HB2 ALA A 114 5.490 2.967 2.252 1.00 0.00 H new ATOM 0 HB3 ALA A 114 5.180 1.801 3.561 1.00 0.00 H new ATOM 1794 N ASP A 115 3.609 -0.541 3.171 1.00 0.00 N ATOM 1795 CA ASP A 115 3.447 -1.942 3.559 1.00 0.00 C ATOM 1796 C ASP A 115 2.393 -2.654 2.708 1.00 0.00 C ATOM 1797 O ASP A 115 2.545 -3.838 2.400 1.00 0.00 O ATOM 1798 CB ASP A 115 3.116 -2.054 5.049 1.00 0.00 C ATOM 1799 CG ASP A 115 3.006 -3.518 5.506 1.00 0.00 C ATOM 1800 OD1 ASP A 115 3.903 -4.331 5.181 1.00 0.00 O ATOM 1801 OD2 ASP A 115 2.043 -3.832 6.236 1.00 0.00 O ATOM 0 H ASP A 115 3.334 0.124 3.894 1.00 0.00 H new ATOM 0 HA ASP A 115 4.397 -2.444 3.377 1.00 0.00 H new ATOM 0 HB2 ASP A 115 3.888 -1.550 5.631 1.00 0.00 H new ATOM 0 HB3 ASP A 115 2.177 -1.539 5.251 1.00 0.00 H new ATOM 1806 N TRP A 116 1.360 -1.941 2.250 1.00 0.00 N ATOM 1807 CA TRP A 116 0.385 -2.521 1.337 1.00 0.00 C ATOM 1808 C TRP A 116 0.996 -2.729 -0.053 1.00 0.00 C ATOM 1809 O TRP A 116 0.781 -3.770 -0.672 1.00 0.00 O ATOM 1810 CB TRP A 116 -0.890 -1.676 1.256 1.00 0.00 C ATOM 1811 CG TRP A 116 -1.948 -2.375 0.463 1.00 0.00 C ATOM 1812 CD1 TRP A 116 -2.301 -2.092 -0.810 1.00 0.00 C ATOM 1813 CD2 TRP A 116 -2.687 -3.582 0.820 1.00 0.00 C ATOM 1814 NE1 TRP A 116 -3.178 -3.048 -1.277 1.00 0.00 N ATOM 1815 CE2 TRP A 116 -3.466 -3.983 -0.304 1.00 0.00 C ATOM 1816 CE3 TRP A 116 -2.744 -4.402 1.969 1.00 0.00 C ATOM 1817 CZ2 TRP A 116 -4.278 -5.124 -0.273 1.00 0.00 C ATOM 1818 CZ3 TRP A 116 -3.551 -5.555 2.002 1.00 0.00 C ATOM 1819 CH2 TRP A 116 -4.320 -5.917 0.884 1.00 0.00 C ATOM 0 H TRP A 116 1.182 -0.968 2.498 1.00 0.00 H new ATOM 0 HA TRP A 116 0.103 -3.496 1.735 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -1.259 -1.472 2.261 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -0.664 -0.713 0.798 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -1.949 -1.243 -1.377 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -3.564 -3.062 -2.221 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -2.158 -4.140 2.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -4.869 -5.392 -1.136 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -3.579 -6.165 2.893 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -4.940 -6.801 0.915 1.00 0.00 H new ATOM 1830 N LEU A 117 1.809 -1.790 -0.541 1.00 0.00 N ATOM 1831 CA LEU A 117 2.542 -1.960 -1.792 1.00 0.00 C ATOM 1832 C LEU A 117 3.548 -3.108 -1.662 1.00 0.00 C ATOM 1833 O LEU A 117 3.757 -3.845 -2.624 1.00 0.00 O ATOM 1834 CB LEU A 117 3.232 -0.647 -2.205 1.00 0.00 C ATOM 1835 CG LEU A 117 2.251 0.468 -2.629 1.00 0.00 C ATOM 1836 CD1 LEU A 117 2.996 1.803 -2.738 1.00 0.00 C ATOM 1837 CD2 LEU A 117 1.560 0.160 -3.964 1.00 0.00 C ATOM 0 H LEU A 117 1.976 -0.895 -0.081 1.00 0.00 H new ATOM 0 HA LEU A 117 1.836 -2.218 -2.581 1.00 0.00 H new ATOM 0 HB2 LEU A 117 3.837 -0.288 -1.372 1.00 0.00 H new ATOM 0 HB3 LEU A 117 3.914 -0.850 -3.030 1.00 0.00 H new ATOM 0 HG LEU A 117 1.479 0.527 -1.862 1.00 0.00 H new ATOM 0 HD11 LEU A 117 2.299 2.585 -3.037 1.00 0.00 H new ATOM 0 HD12 LEU A 117 3.432 2.056 -1.772 1.00 0.00 H new ATOM 0 HD13 LEU A 117 3.788 1.718 -3.483 1.00 0.00 H new ATOM 0 HD21 LEU A 117 0.881 0.974 -4.218 1.00 0.00 H new ATOM 0 HD22 LEU A 117 2.311 0.056 -4.747 1.00 0.00 H new ATOM 0 HD23 LEU A 117 0.997 -0.769 -3.876 1.00 0.00 H new ATOM 1849 N TYR A 118 4.127 -3.333 -0.480 1.00 0.00 N ATOM 1850 CA TYR A 118 4.958 -4.504 -0.242 1.00 0.00 C ATOM 1851 C TYR A 118 4.107 -5.773 -0.172 1.00 0.00 C ATOM 1852 O TYR A 118 4.596 -6.830 -0.539 1.00 0.00 O ATOM 1853 CB TYR A 118 5.820 -4.338 1.022 1.00 0.00 C ATOM 1854 CG TYR A 118 6.686 -3.088 1.098 1.00 0.00 C ATOM 1855 CD1 TYR A 118 7.259 -2.515 -0.057 1.00 0.00 C ATOM 1856 CD2 TYR A 118 6.891 -2.472 2.349 1.00 0.00 C ATOM 1857 CE1 TYR A 118 7.994 -1.321 0.033 1.00 0.00 C ATOM 1858 CE2 TYR A 118 7.597 -1.262 2.443 1.00 0.00 C ATOM 1859 CZ TYR A 118 8.161 -0.682 1.282 1.00 0.00 C ATOM 1860 OH TYR A 118 8.865 0.484 1.351 1.00 0.00 O ATOM 0 H TYR A 118 4.032 -2.715 0.326 1.00 0.00 H new ATOM 0 HA TYR A 118 5.639 -4.603 -1.087 1.00 0.00 H new ATOM 0 HB2 TYR A 118 5.159 -4.348 1.889 1.00 0.00 H new ATOM 0 HB3 TYR A 118 6.470 -5.209 1.107 1.00 0.00 H new ATOM 0 HD1 TYR A 118 7.132 -2.997 -1.015 1.00 0.00 H new ATOM 0 HD2 TYR A 118 6.501 -2.935 3.244 1.00 0.00 H new ATOM 0 HE1 TYR A 118 8.433 -0.890 -0.855 1.00 0.00 H new ATOM 0 HE2 TYR A 118 7.709 -0.775 3.400 1.00 0.00 H new ATOM 0 HH TYR A 118 8.889 0.797 2.279 1.00 0.00 H new ATOM 1870 N TRP A 119 2.851 -5.744 0.285 1.00 0.00 N ATOM 1871 CA TRP A 119 1.954 -6.909 0.229 1.00 0.00 C ATOM 1872 C TRP A 119 1.615 -7.244 -1.230 1.00 0.00 C ATOM 1873 O TRP A 119 1.654 -8.412 -1.624 1.00 0.00 O ATOM 1874 CB TRP A 119 0.708 -6.648 1.090 1.00 0.00 C ATOM 1875 CG TRP A 119 -0.462 -7.558 0.878 1.00 0.00 C ATOM 1876 CD1 TRP A 119 -1.429 -7.357 -0.043 1.00 0.00 C ATOM 1877 CD2 TRP A 119 -0.867 -8.759 1.610 1.00 0.00 C ATOM 1878 NE1 TRP A 119 -2.395 -8.328 0.069 1.00 0.00 N ATOM 1879 CE2 TRP A 119 -2.139 -9.180 1.117 1.00 0.00 C ATOM 1880 CE3 TRP A 119 -0.310 -9.522 2.658 1.00 0.00 C ATOM 1881 CZ2 TRP A 119 -2.853 -10.246 1.680 1.00 0.00 C ATOM 1882 CZ3 TRP A 119 -1.019 -10.594 3.236 1.00 0.00 C ATOM 1883 CH2 TRP A 119 -2.300 -10.940 2.766 1.00 0.00 C ATOM 0 H TRP A 119 2.426 -4.916 0.703 1.00 0.00 H new ATOM 0 HA TRP A 119 2.452 -7.785 0.644 1.00 0.00 H new ATOM 0 HB2 TRP A 119 1.001 -6.709 2.138 1.00 0.00 H new ATOM 0 HB3 TRP A 119 0.379 -5.624 0.910 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -1.441 -6.551 -0.762 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -3.202 -8.407 -0.549 1.00 0.00 H new ATOM 0 HE3 TRP A 119 0.677 -9.280 3.024 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -3.817 -10.530 1.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -0.576 -11.155 4.046 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -2.855 -11.737 3.240 1.00 0.00 H new ATOM 1894 N LEU A 120 1.372 -6.219 -2.052 1.00 0.00 N ATOM 1895 CA LEU A 120 1.189 -6.349 -3.493 1.00 0.00 C ATOM 1896 C LEU A 120 2.428 -6.999 -4.119 1.00 0.00 C ATOM 1897 O LEU A 120 2.299 -7.985 -4.844 1.00 0.00 O ATOM 1898 CB LEU A 120 0.895 -4.949 -4.066 1.00 0.00 C ATOM 1899 CG LEU A 120 0.421 -4.896 -5.528 1.00 0.00 C ATOM 1900 CD1 LEU A 120 -1.004 -5.441 -5.691 1.00 0.00 C ATOM 1901 CD2 LEU A 120 0.455 -3.434 -5.986 1.00 0.00 C ATOM 0 H LEU A 120 1.296 -5.257 -1.723 1.00 0.00 H new ATOM 0 HA LEU A 120 0.347 -6.999 -3.729 1.00 0.00 H new ATOM 0 HB2 LEU A 120 0.135 -4.477 -3.443 1.00 0.00 H new ATOM 0 HB3 LEU A 120 1.799 -4.347 -3.978 1.00 0.00 H new ATOM 0 HG LEU A 120 1.082 -5.519 -6.131 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -1.298 -5.384 -6.739 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -1.036 -6.479 -5.361 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -1.692 -4.847 -5.089 1.00 0.00 H new ATOM 0 HD21 LEU A 120 0.123 -3.369 -7.022 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -0.206 -2.840 -5.355 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.473 -3.052 -5.907 1.00 0.00 H new ATOM 1913 N ALA A 121 3.628 -6.513 -3.781 1.00 0.00 N ATOM 1914 CA ALA A 121 4.888 -7.069 -4.271 1.00 0.00 C ATOM 1915 C ALA A 121 5.177 -8.476 -3.716 1.00 0.00 C ATOM 1916 O ALA A 121 5.776 -9.294 -4.414 1.00 0.00 O ATOM 1917 CB ALA A 121 6.029 -6.106 -3.927 1.00 0.00 C ATOM 0 H ALA A 121 3.749 -5.717 -3.155 1.00 0.00 H new ATOM 0 HA ALA A 121 4.805 -7.181 -5.352 1.00 0.00 H new ATOM 0 HB1 ALA A 121 6.972 -6.515 -4.290 1.00 0.00 H new ATOM 0 HB2 ALA A 121 5.846 -5.141 -4.400 1.00 0.00 H new ATOM 0 HB3 ALA A 121 6.082 -5.976 -2.846 1.00 0.00 H new ATOM 1923 N ARG A 122 4.731 -8.787 -2.490 1.00 0.00 N ATOM 1924 CA ARG A 122 4.802 -10.130 -1.892 1.00 0.00 C ATOM 1925 C ARG A 122 3.806 -11.091 -2.556 1.00 0.00 C ATOM 1926 O ARG A 122 3.802 -12.274 -2.211 1.00 0.00 O ATOM 1927 CB ARG A 122 4.605 -10.065 -0.356 1.00 0.00 C ATOM 1928 CG ARG A 122 5.866 -9.591 0.392 1.00 0.00 C ATOM 1929 CD ARG A 122 5.676 -9.258 1.885 1.00 0.00 C ATOM 1930 NE ARG A 122 4.860 -8.043 2.079 1.00 0.00 N ATOM 1931 CZ ARG A 122 4.730 -7.325 3.208 1.00 0.00 C ATOM 1932 NH1 ARG A 122 5.430 -7.601 4.299 1.00 0.00 N ATOM 1933 NH2 ARG A 122 3.894 -6.294 3.260 1.00 0.00 N ATOM 0 H ARG A 122 4.302 -8.098 -1.873 1.00 0.00 H new ATOM 0 HA ARG A 122 5.800 -10.528 -2.076 1.00 0.00 H new ATOM 0 HB2 ARG A 122 3.779 -9.390 -0.129 1.00 0.00 H new ATOM 0 HB3 ARG A 122 4.321 -11.051 0.011 1.00 0.00 H new ATOM 0 HG2 ARG A 122 6.629 -10.365 0.306 1.00 0.00 H new ATOM 0 HG3 ARG A 122 6.253 -8.705 -0.112 1.00 0.00 H new ATOM 0 HD2 ARG A 122 5.199 -10.100 2.387 1.00 0.00 H new ATOM 0 HD3 ARG A 122 6.651 -9.119 2.353 1.00 0.00 H new ATOM 0 HE ARG A 122 4.338 -7.712 1.268 1.00 0.00 H new ATOM 0 HH11 ARG A 122 6.091 -8.378 4.298 1.00 0.00 H new ATOM 0 HH12 ARG A 122 5.308 -7.036 5.140 1.00 0.00 H new ATOM 0 HH21 ARG A 122 3.344 -6.041 2.439 1.00 0.00 H new ATOM 0 HH22 ARG A 122 3.802 -5.755 4.121 1.00 0.00 H new