USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=22 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 -156:sc= 0 (180deg=-0.0276) USER MOD Set 1.2: A 74 CYS SG : rot 126:sc= 0.9 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl 146:sc= -0.911 (180deg=-3.15!) 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 74:sc= 1.28 USER MOD Single : A 45 MET CE :methyl -170:sc= -0.197 (180deg=-0.345) USER MOD Single : A 47 LYS NZ :NH3+ 143:sc= 1.24 (180deg=0.787) USER MOD Single : A 49 LYS NZ :NH3+ 171:sc= 1.25 (180deg=0.985) USER MOD Single : A 50 LYS NZ :NH3+ -159:sc= -0.0953 (180deg=-0.471) USER MOD Single : A 61 LYS NZ :NH3+ -134:sc= 0.977 (180deg=0.0514) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00265) USER MOD Single : A 78 MET CE :methyl -119:sc= -0.126 (180deg=-0.373) 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+ 175:sc= 0.957 (180deg=0.816) USER MOD Single : A 98 SER OG : rot 180:sc= 0.741 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0.185 USER MOD Single : A 110 GLN : amide:sc= -0.742 X(o=-0.74,f=-0.35) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 280 N ILE A 18 -1.638 -7.636 12.967 1.00 0.00 N ATOM 281 CA ILE A 18 -2.675 -7.408 11.953 1.00 0.00 C ATOM 282 C ILE A 18 -3.530 -8.666 11.759 1.00 0.00 C ATOM 283 O ILE A 18 -4.756 -8.552 11.715 1.00 0.00 O ATOM 284 CB ILE A 18 -2.054 -6.900 10.622 1.00 0.00 C ATOM 285 CG1 ILE A 18 -1.084 -5.718 10.874 1.00 0.00 C ATOM 286 CG2 ILE A 18 -3.158 -6.490 9.627 1.00 0.00 C ATOM 287 CD1 ILE A 18 -0.535 -5.058 9.604 1.00 0.00 C ATOM 0 HA ILE A 18 -3.340 -6.621 12.308 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.482 -7.719 10.186 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.600 -4.962 11.466 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.246 -6.075 11.473 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.702 -6.137 8.702 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.793 -7.350 9.414 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.761 -5.692 10.061 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.134 -4.242 9.878 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.013 -5.796 9.018 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.361 -4.666 9.011 1.00 0.00 H new ATOM 299 N ILE A 19 -2.923 -9.859 11.687 1.00 0.00 N ATOM 300 CA ILE A 19 -3.625 -11.083 11.283 1.00 0.00 C ATOM 301 C ILE A 19 -3.415 -12.265 12.250 1.00 0.00 C ATOM 302 O ILE A 19 -3.561 -13.417 11.855 1.00 0.00 O ATOM 303 CB ILE A 19 -3.265 -11.417 9.824 1.00 0.00 C ATOM 304 CG1 ILE A 19 -1.748 -11.622 9.699 1.00 0.00 C ATOM 305 CG2 ILE A 19 -3.777 -10.341 8.842 1.00 0.00 C ATOM 306 CD1 ILE A 19 -1.418 -12.394 8.437 1.00 0.00 C ATOM 0 H ILE A 19 -1.937 -10.001 11.906 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.697 -10.894 11.340 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.767 -12.345 9.550 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.245 -10.655 9.683 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.375 -12.161 10.570 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.501 -10.617 7.824 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.862 -10.267 8.917 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.330 -9.379 9.091 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.339 -12.530 8.365 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.905 -13.369 8.469 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.773 -11.840 7.568 1.00 0.00 H new ATOM 318 N VAL A 20 -3.075 -12.005 13.513 1.00 0.00 N ATOM 319 CA VAL A 20 -2.710 -13.032 14.501 1.00 0.00 C ATOM 320 C VAL A 20 -3.693 -14.216 14.595 1.00 0.00 C ATOM 321 O VAL A 20 -3.255 -15.357 14.752 1.00 0.00 O ATOM 322 CB VAL A 20 -2.451 -12.351 15.863 1.00 0.00 C ATOM 323 CG1 VAL A 20 -3.736 -11.822 16.520 1.00 0.00 C ATOM 324 CG2 VAL A 20 -1.726 -13.287 16.837 1.00 0.00 C ATOM 0 H VAL A 20 -3.044 -11.058 13.889 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.792 -13.506 14.154 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.810 -11.497 15.644 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.491 -11.354 17.474 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.204 -11.087 15.865 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.426 -12.649 16.688 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.562 -12.771 17.783 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.334 -14.175 17.008 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.766 -13.581 16.413 1.00 0.00 H new ATOM 334 N ASP A 21 -5.004 -13.972 14.468 1.00 0.00 N ATOM 335 CA ASP A 21 -6.052 -15.002 14.572 1.00 0.00 C ATOM 336 C ASP A 21 -6.726 -15.262 13.205 1.00 0.00 C ATOM 337 O ASP A 21 -7.656 -16.079 13.063 1.00 0.00 O ATOM 338 CB ASP A 21 -7.072 -14.553 15.628 1.00 0.00 C ATOM 339 CG ASP A 21 -8.137 -15.624 15.920 1.00 0.00 C ATOM 340 OD1 ASP A 21 -7.777 -16.751 16.330 1.00 0.00 O ATOM 341 OD2 ASP A 21 -9.348 -15.326 15.803 1.00 0.00 O ATOM 0 H ASP A 21 -5.375 -13.039 14.287 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.605 -15.948 14.879 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.548 -14.307 16.551 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.563 -13.642 15.288 1.00 0.00 H new ATOM 346 N ALA A 22 -6.234 -14.540 12.190 1.00 0.00 N ATOM 347 CA ALA A 22 -6.817 -14.435 10.873 1.00 0.00 C ATOM 348 C ALA A 22 -5.999 -15.218 9.856 1.00 0.00 C ATOM 349 O ALA A 22 -4.803 -15.004 9.662 1.00 0.00 O ATOM 350 CB ALA A 22 -6.918 -12.975 10.445 1.00 0.00 C ATOM 0 H ALA A 22 -5.378 -13.993 12.283 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.820 -14.860 10.915 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.360 -12.917 9.450 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.544 -12.431 11.152 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.922 -12.532 10.426 1.00 0.00 H new ATOM 356 N GLU A 23 -6.706 -16.085 9.153 1.00 0.00 N ATOM 357 CA GLU A 23 -6.188 -16.895 8.054 1.00 0.00 C ATOM 358 C GLU A 23 -7.272 -17.290 7.061 1.00 0.00 C ATOM 359 O GLU A 23 -6.983 -17.534 5.888 1.00 0.00 O ATOM 360 CB GLU A 23 -5.414 -18.106 8.581 1.00 0.00 C ATOM 361 CG GLU A 23 -6.162 -19.413 8.880 1.00 0.00 C ATOM 362 CD GLU A 23 -6.982 -19.401 10.178 1.00 0.00 C ATOM 363 OE1 GLU A 23 -6.826 -18.507 11.036 1.00 0.00 O ATOM 364 OE2 GLU A 23 -7.833 -20.292 10.387 1.00 0.00 O ATOM 0 H GLU A 23 -7.695 -16.254 9.336 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.486 -16.274 7.498 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.634 -18.335 7.855 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.914 -17.799 9.500 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.830 -19.632 8.047 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.438 -20.226 8.931 1.00 0.00 H new ATOM 371 N ASP A 24 -8.525 -17.298 7.502 1.00 0.00 N ATOM 372 CA ASP A 24 -9.661 -17.437 6.618 1.00 0.00 C ATOM 373 C ASP A 24 -9.677 -16.112 5.851 1.00 0.00 C ATOM 374 O ASP A 24 -9.391 -15.055 6.425 1.00 0.00 O ATOM 375 CB ASP A 24 -10.943 -17.690 7.427 1.00 0.00 C ATOM 376 CG ASP A 24 -10.876 -18.948 8.327 1.00 0.00 C ATOM 377 OD1 ASP A 24 -11.139 -20.058 7.810 1.00 0.00 O ATOM 378 OD2 ASP A 24 -10.591 -18.845 9.551 1.00 0.00 O ATOM 0 H ASP A 24 -8.775 -17.208 8.487 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.598 -18.287 5.939 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.146 -16.819 8.050 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -11.782 -17.792 6.738 1.00 0.00 H new ATOM 383 N LYS A 25 -9.948 -16.141 4.547 1.00 0.00 N ATOM 384 CA LYS A 25 -9.750 -14.961 3.693 1.00 0.00 C ATOM 385 C LYS A 25 -10.520 -13.728 4.164 1.00 0.00 C ATOM 386 O LYS A 25 -10.009 -12.615 4.052 1.00 0.00 O ATOM 387 CB LYS A 25 -10.041 -15.294 2.224 1.00 0.00 C ATOM 388 CG LYS A 25 -11.516 -15.641 1.965 1.00 0.00 C ATOM 389 CD LYS A 25 -11.788 -16.040 0.509 1.00 0.00 C ATOM 390 CE LYS A 25 -11.041 -17.325 0.120 1.00 0.00 C ATOM 391 NZ LYS A 25 -11.343 -17.753 -1.269 1.00 0.00 N ATOM 0 H LYS A 25 -10.304 -16.962 4.057 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.698 -14.691 3.780 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.759 -14.444 1.602 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.417 -16.134 1.918 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.813 -16.459 2.622 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.137 -14.783 2.223 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.859 -16.185 0.366 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.485 -15.229 -0.153 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.968 -17.164 0.223 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.312 -18.123 0.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.817 -18.623 -1.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.363 -17.933 -1.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.061 -17.003 -1.932 1.00 0.00 H new ATOM 405 N GLU A 26 -11.721 -13.923 4.714 1.00 0.00 N ATOM 406 CA GLU A 26 -12.548 -12.825 5.192 1.00 0.00 C ATOM 407 C GLU A 26 -11.900 -12.207 6.429 1.00 0.00 C ATOM 408 O GLU A 26 -11.907 -10.987 6.581 1.00 0.00 O ATOM 409 CB GLU A 26 -13.967 -13.321 5.513 1.00 0.00 C ATOM 410 CG GLU A 26 -14.715 -13.798 4.260 1.00 0.00 C ATOM 411 CD GLU A 26 -16.147 -14.252 4.596 1.00 0.00 C ATOM 412 OE1 GLU A 26 -16.345 -15.428 4.979 1.00 0.00 O ATOM 413 OE2 GLU A 26 -17.097 -13.447 4.461 1.00 0.00 O ATOM 0 H GLU A 26 -12.141 -14.844 4.838 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.626 -12.066 4.413 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.910 -14.138 6.232 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -14.532 -12.518 5.987 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -14.750 -12.992 3.527 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.169 -14.622 3.801 1.00 0.00 H new ATOM 420 N GLU A 27 -11.292 -13.025 7.295 1.00 0.00 N ATOM 421 CA GLU A 27 -10.619 -12.529 8.483 1.00 0.00 C ATOM 422 C GLU A 27 -9.368 -11.776 8.077 1.00 0.00 C ATOM 423 O GLU A 27 -9.117 -10.705 8.621 1.00 0.00 O ATOM 424 CB GLU A 27 -10.166 -13.666 9.389 1.00 0.00 C ATOM 425 CG GLU A 27 -11.266 -14.620 9.831 1.00 0.00 C ATOM 426 CD GLU A 27 -10.636 -15.782 10.599 1.00 0.00 C ATOM 427 OE1 GLU A 27 -9.534 -16.261 10.228 1.00 0.00 O ATOM 428 OE2 GLU A 27 -11.217 -16.235 11.612 1.00 0.00 O ATOM 0 H GLU A 27 -11.257 -14.039 7.187 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.329 -11.893 9.011 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -9.397 -14.239 8.870 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.700 -13.238 10.277 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.986 -14.098 10.461 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.812 -14.993 8.964 1.00 0.00 H new ATOM 435 N ARG A 28 -8.569 -12.323 7.146 1.00 0.00 N ATOM 436 CA ARG A 28 -7.368 -11.611 6.706 1.00 0.00 C ATOM 437 C ARG A 28 -7.760 -10.262 6.117 1.00 0.00 C ATOM 438 O ARG A 28 -7.168 -9.253 6.501 1.00 0.00 O ATOM 439 CB ARG A 28 -6.522 -12.450 5.736 1.00 0.00 C ATOM 440 CG ARG A 28 -5.649 -13.439 6.523 1.00 0.00 C ATOM 441 CD ARG A 28 -4.676 -14.222 5.633 1.00 0.00 C ATOM 442 NE ARG A 28 -5.339 -15.325 4.915 1.00 0.00 N ATOM 443 CZ ARG A 28 -4.802 -16.074 3.944 1.00 0.00 C ATOM 444 NH1 ARG A 28 -3.629 -15.757 3.400 1.00 0.00 N ATOM 445 NH2 ARG A 28 -5.459 -17.153 3.540 1.00 0.00 N ATOM 0 H ARG A 28 -8.728 -13.226 6.699 1.00 0.00 H new ATOM 0 HA ARG A 28 -6.731 -11.434 7.573 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.172 -12.992 5.049 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.892 -11.797 5.131 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.083 -12.894 7.278 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.293 -14.141 7.053 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.221 -13.544 4.912 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.869 -14.624 6.246 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.300 -15.538 5.184 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.124 -14.931 3.722 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.235 -16.340 2.661 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.353 -17.396 3.968 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.071 -17.740 2.802 1.00 0.00 H new ATOM 459 N ALA A 29 -8.788 -10.222 5.267 1.00 0.00 N ATOM 460 CA ALA A 29 -9.283 -8.980 4.702 1.00 0.00 C ATOM 461 C ALA A 29 -9.681 -7.993 5.803 1.00 0.00 C ATOM 462 O ALA A 29 -9.246 -6.844 5.770 1.00 0.00 O ATOM 463 CB ALA A 29 -10.454 -9.283 3.764 1.00 0.00 C ATOM 0 H ALA A 29 -9.295 -11.051 4.956 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.489 -8.505 4.126 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.829 -8.353 3.338 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.117 -9.940 2.962 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.251 -9.773 4.324 1.00 0.00 H new ATOM 469 N MET A 30 -10.464 -8.425 6.797 1.00 0.00 N ATOM 470 CA MET A 30 -10.893 -7.547 7.882 1.00 0.00 C ATOM 471 C MET A 30 -9.729 -7.104 8.769 1.00 0.00 C ATOM 472 O MET A 30 -9.680 -5.934 9.137 1.00 0.00 O ATOM 473 CB MET A 30 -12.012 -8.197 8.701 1.00 0.00 C ATOM 474 CG MET A 30 -13.334 -8.294 7.924 1.00 0.00 C ATOM 475 SD MET A 30 -14.111 -6.726 7.421 1.00 0.00 S ATOM 476 CE MET A 30 -13.365 -6.424 5.791 1.00 0.00 C ATOM 0 H MET A 30 -10.813 -9.381 6.869 1.00 0.00 H new ATOM 0 HA MET A 30 -11.292 -6.642 7.425 1.00 0.00 H new ATOM 0 HB2 MET A 30 -11.700 -9.196 9.006 1.00 0.00 H new ATOM 0 HB3 MET A 30 -12.172 -7.621 9.612 1.00 0.00 H new ATOM 0 HG2 MET A 30 -13.158 -8.888 7.027 1.00 0.00 H new ATOM 0 HG3 MET A 30 -14.048 -8.845 8.536 1.00 0.00 H new ATOM 0 HE1 MET A 30 -14.092 -5.935 5.143 1.00 0.00 H new ATOM 0 HE2 MET A 30 -12.491 -5.782 5.904 1.00 0.00 H new ATOM 0 HE3 MET A 30 -13.063 -7.373 5.347 1.00 0.00 H new ATOM 486 N GLY A 31 -8.772 -7.982 9.075 1.00 0.00 N ATOM 487 CA GLY A 31 -7.604 -7.640 9.874 1.00 0.00 C ATOM 488 C GLY A 31 -6.806 -6.531 9.197 1.00 0.00 C ATOM 489 O GLY A 31 -6.520 -5.506 9.822 1.00 0.00 O ATOM 0 H GLY A 31 -8.790 -8.956 8.771 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.916 -7.318 10.868 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.975 -8.520 10.007 1.00 0.00 H new ATOM 493 N TRP A 32 -6.522 -6.698 7.900 1.00 0.00 N ATOM 494 CA TRP A 32 -5.878 -5.667 7.101 1.00 0.00 C ATOM 495 C TRP A 32 -6.708 -4.385 7.099 1.00 0.00 C ATOM 496 O TRP A 32 -6.168 -3.327 7.408 1.00 0.00 O ATOM 497 CB TRP A 32 -5.625 -6.174 5.674 1.00 0.00 C ATOM 498 CG TRP A 32 -4.368 -6.972 5.538 1.00 0.00 C ATOM 499 CD1 TRP A 32 -4.262 -8.312 5.415 1.00 0.00 C ATOM 500 CD2 TRP A 32 -3.002 -6.469 5.526 1.00 0.00 C ATOM 501 NE1 TRP A 32 -2.932 -8.675 5.337 1.00 0.00 N ATOM 502 CE2 TRP A 32 -2.105 -7.573 5.438 1.00 0.00 C ATOM 503 CE3 TRP A 32 -2.441 -5.179 5.581 1.00 0.00 C ATOM 504 CZ2 TRP A 32 -0.715 -7.394 5.443 1.00 0.00 C ATOM 505 CZ3 TRP A 32 -1.048 -4.988 5.556 1.00 0.00 C ATOM 506 CH2 TRP A 32 -0.186 -6.094 5.486 1.00 0.00 C ATOM 0 H TRP A 32 -6.734 -7.551 7.383 1.00 0.00 H new ATOM 0 HA TRP A 32 -4.913 -5.432 7.549 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -6.470 -6.786 5.359 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -5.579 -5.321 4.997 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.095 -8.999 5.382 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -2.603 -9.633 5.220 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -3.093 -4.320 5.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -0.056 -8.249 5.414 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.640 -3.988 5.591 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.883 -5.945 5.465 1.00 0.00 H new ATOM 517 N TYR A 33 -8.005 -4.471 6.800 1.00 0.00 N ATOM 518 CA TYR A 33 -8.880 -3.314 6.657 1.00 0.00 C ATOM 519 C TYR A 33 -8.929 -2.487 7.942 1.00 0.00 C ATOM 520 O TYR A 33 -8.734 -1.271 7.895 1.00 0.00 O ATOM 521 CB TYR A 33 -10.275 -3.808 6.250 1.00 0.00 C ATOM 522 CG TYR A 33 -11.403 -2.800 6.362 1.00 0.00 C ATOM 523 CD1 TYR A 33 -11.297 -1.528 5.771 1.00 0.00 C ATOM 524 CD2 TYR A 33 -12.567 -3.141 7.074 1.00 0.00 C ATOM 525 CE1 TYR A 33 -12.347 -0.602 5.890 1.00 0.00 C ATOM 526 CE2 TYR A 33 -13.612 -2.215 7.215 1.00 0.00 C ATOM 527 CZ TYR A 33 -13.515 -0.942 6.610 1.00 0.00 C ATOM 528 OH TYR A 33 -14.542 -0.055 6.736 1.00 0.00 O ATOM 0 H TYR A 33 -8.481 -5.360 6.649 1.00 0.00 H new ATOM 0 HA TYR A 33 -8.489 -2.654 5.883 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -10.228 -4.155 5.218 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -10.525 -4.672 6.866 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -10.405 -1.262 5.224 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -12.657 -4.123 7.515 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -12.262 0.372 5.430 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -14.491 -2.476 7.786 1.00 0.00 H new ATOM 0 HH TYR A 33 -15.262 -0.461 7.262 1.00 0.00 H new ATOM 538 N TYR A 34 -9.159 -3.128 9.092 1.00 0.00 N ATOM 539 CA TYR A 34 -9.310 -2.428 10.358 1.00 0.00 C ATOM 540 C TYR A 34 -7.998 -1.744 10.743 1.00 0.00 C ATOM 541 O TYR A 34 -8.010 -0.588 11.167 1.00 0.00 O ATOM 542 CB TYR A 34 -9.732 -3.411 11.463 1.00 0.00 C ATOM 543 CG TYR A 34 -11.054 -4.158 11.315 1.00 0.00 C ATOM 544 CD1 TYR A 34 -12.051 -3.778 10.388 1.00 0.00 C ATOM 545 CD2 TYR A 34 -11.286 -5.262 12.161 1.00 0.00 C ATOM 546 CE1 TYR A 34 -13.267 -4.485 10.325 1.00 0.00 C ATOM 547 CE2 TYR A 34 -12.495 -5.976 12.098 1.00 0.00 C ATOM 548 CZ TYR A 34 -13.495 -5.588 11.180 1.00 0.00 C ATOM 549 OH TYR A 34 -14.667 -6.282 11.133 1.00 0.00 O ATOM 0 H TYR A 34 -9.244 -4.142 9.165 1.00 0.00 H new ATOM 0 HA TYR A 34 -10.085 -1.670 10.245 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -8.942 -4.155 11.563 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.769 -2.857 12.401 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -11.879 -2.942 9.726 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -10.525 -5.563 12.866 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -14.029 -4.184 9.621 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.659 -6.820 12.751 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.644 -7.007 11.792 1.00 0.00 H new ATOM 559 N TYR A 35 -6.864 -2.435 10.592 1.00 0.00 N ATOM 560 CA TYR A 35 -5.567 -1.893 10.970 1.00 0.00 C ATOM 561 C TYR A 35 -5.147 -0.768 10.025 1.00 0.00 C ATOM 562 O TYR A 35 -4.614 0.244 10.485 1.00 0.00 O ATOM 563 CB TYR A 35 -4.538 -3.027 10.951 1.00 0.00 C ATOM 564 CG TYR A 35 -3.172 -2.633 11.472 1.00 0.00 C ATOM 565 CD1 TYR A 35 -2.193 -2.133 10.592 1.00 0.00 C ATOM 566 CD2 TYR A 35 -2.874 -2.786 12.839 1.00 0.00 C ATOM 567 CE1 TYR A 35 -0.913 -1.802 11.071 1.00 0.00 C ATOM 568 CE2 TYR A 35 -1.596 -2.460 13.323 1.00 0.00 C ATOM 569 CZ TYR A 35 -0.604 -1.976 12.439 1.00 0.00 C ATOM 570 OH TYR A 35 0.648 -1.692 12.890 1.00 0.00 O ATOM 0 H TYR A 35 -6.825 -3.379 10.207 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.630 -1.469 11.972 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.917 -3.857 11.548 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.434 -3.391 9.929 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -2.426 -2.003 9.545 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -3.629 -3.155 13.517 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -0.166 -1.415 10.394 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.371 -2.579 14.372 1.00 0.00 H new ATOM 0 HH TYR A 35 0.695 -1.864 13.854 1.00 0.00 H new ATOM 580 N LEU A 36 -5.389 -0.915 8.717 1.00 0.00 N ATOM 581 CA LEU A 36 -5.068 0.112 7.741 1.00 0.00 C ATOM 582 C LEU A 36 -5.900 1.341 8.025 1.00 0.00 C ATOM 583 O LEU A 36 -5.287 2.397 8.156 1.00 0.00 O ATOM 584 CB LEU A 36 -5.269 -0.376 6.298 1.00 0.00 C ATOM 585 CG LEU A 36 -3.988 -0.916 5.633 1.00 0.00 C ATOM 586 CD1 LEU A 36 -3.072 -1.755 6.536 1.00 0.00 C ATOM 587 CD2 LEU A 36 -4.375 -1.742 4.402 1.00 0.00 C ATOM 0 H LEU A 36 -5.812 -1.751 8.314 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.011 0.360 7.834 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.026 -1.160 6.293 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.658 0.447 5.698 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.403 -0.034 5.374 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.202 -2.083 5.967 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.745 -1.152 7.383 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.618 -2.626 6.899 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.474 -2.128 3.925 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.009 -2.574 4.707 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.917 -1.112 3.697 1.00 0.00 H new ATOM 599 N ASP A 37 -7.225 1.228 8.218 1.00 0.00 N ATOM 600 CA ASP A 37 -8.011 2.393 8.627 1.00 0.00 C ATOM 601 C ASP A 37 -7.374 2.974 9.840 1.00 0.00 C ATOM 602 O ASP A 37 -7.136 4.183 9.855 1.00 0.00 O ATOM 603 CB ASP A 37 -9.482 2.125 9.018 1.00 0.00 C ATOM 604 CG ASP A 37 -10.228 3.325 9.709 1.00 0.00 C ATOM 605 OD1 ASP A 37 -9.721 4.060 10.610 1.00 0.00 O ATOM 606 OD2 ASP A 37 -11.419 3.501 9.371 1.00 0.00 O ATOM 0 H ASP A 37 -7.758 0.366 8.100 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.026 3.038 7.748 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -10.033 1.846 8.120 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.511 1.267 9.690 1.00 0.00 H new ATOM 611 N ASP A 38 -7.084 2.154 10.858 1.00 0.00 N ATOM 612 CA ASP A 38 -6.721 2.809 12.082 1.00 0.00 C ATOM 613 C ASP A 38 -5.429 3.605 11.968 1.00 0.00 C ATOM 614 O ASP A 38 -5.351 4.704 12.520 1.00 0.00 O ATOM 615 CB ASP A 38 -6.863 2.015 13.370 1.00 0.00 C ATOM 616 CG ASP A 38 -7.057 3.060 14.505 1.00 0.00 C ATOM 617 OD1 ASP A 38 -7.623 4.164 14.249 1.00 0.00 O ATOM 618 OD2 ASP A 38 -6.655 2.778 15.657 1.00 0.00 O ATOM 0 H ASP A 38 -7.094 1.134 10.854 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.523 3.536 12.210 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.714 1.336 13.317 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.978 1.404 13.550 1.00 0.00 H new ATOM 623 N THR A 39 -4.521 3.138 11.117 1.00 0.00 N ATOM 624 CA THR A 39 -3.217 3.735 10.934 1.00 0.00 C ATOM 625 C THR A 39 -3.347 5.004 10.076 1.00 0.00 C ATOM 626 O THR A 39 -2.746 6.031 10.393 1.00 0.00 O ATOM 627 CB THR A 39 -2.315 2.663 10.302 1.00 0.00 C ATOM 628 OG1 THR A 39 -2.283 1.495 11.098 1.00 0.00 O ATOM 629 CG2 THR A 39 -0.891 3.176 10.154 1.00 0.00 C ATOM 0 H THR A 39 -4.680 2.320 10.529 1.00 0.00 H new ATOM 0 HA THR A 39 -2.770 4.053 11.876 1.00 0.00 H new ATOM 0 HB THR A 39 -2.731 2.430 9.322 1.00 0.00 H new ATOM 0 HG1 THR A 39 -3.131 1.012 11.005 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.270 2.401 9.705 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.887 4.060 9.516 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.494 3.436 11.135 1.00 0.00 H new ATOM 637 N LEU A 40 -4.153 4.948 9.014 1.00 0.00 N ATOM 638 CA LEU A 40 -4.507 6.101 8.197 1.00 0.00 C ATOM 639 C LEU A 40 -5.256 7.129 9.057 1.00 0.00 C ATOM 640 O LEU A 40 -6.114 6.783 9.881 1.00 0.00 O ATOM 641 CB LEU A 40 -5.407 5.672 7.021 1.00 0.00 C ATOM 642 CG LEU A 40 -4.811 4.631 6.050 1.00 0.00 C ATOM 643 CD1 LEU A 40 -5.927 3.976 5.226 1.00 0.00 C ATOM 644 CD2 LEU A 40 -3.790 5.214 5.075 1.00 0.00 C ATOM 0 H LEU A 40 -4.584 4.081 8.695 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.592 6.543 7.802 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.334 5.269 7.429 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.671 6.562 6.449 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.297 3.905 6.680 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.494 3.244 4.545 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.629 3.479 5.895 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.452 4.740 4.652 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.415 4.423 4.425 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.264 5.987 4.470 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.961 5.648 5.633 1.00 0.00 H new ATOM 656 N GLU A 41 -5.002 8.407 8.792 1.00 0.00 N ATOM 657 CA GLU A 41 -5.708 9.542 9.381 1.00 0.00 C ATOM 658 C GLU A 41 -6.250 10.408 8.235 1.00 0.00 C ATOM 659 O GLU A 41 -5.969 11.603 8.125 1.00 0.00 O ATOM 660 CB GLU A 41 -4.794 10.278 10.377 1.00 0.00 C ATOM 661 CG GLU A 41 -4.507 9.444 11.637 1.00 0.00 C ATOM 662 CD GLU A 41 -5.744 9.293 12.547 1.00 0.00 C ATOM 663 OE1 GLU A 41 -5.980 10.179 13.400 1.00 0.00 O ATOM 664 OE2 GLU A 41 -6.488 8.289 12.437 1.00 0.00 O ATOM 0 H GLU A 41 -4.273 8.692 8.138 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.565 9.228 9.976 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.853 10.526 9.887 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.261 11.220 10.666 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.156 8.455 11.341 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.701 9.912 12.202 1.00 0.00 H new ATOM 671 N PHE A 42 -6.994 9.754 7.335 1.00 0.00 N ATOM 672 CA PHE A 42 -7.719 10.383 6.235 1.00 0.00 C ATOM 673 C PHE A 42 -8.732 11.434 6.746 1.00 0.00 C ATOM 674 O PHE A 42 -9.136 11.360 7.913 1.00 0.00 O ATOM 675 CB PHE A 42 -8.364 9.275 5.376 1.00 0.00 C ATOM 676 CG PHE A 42 -9.203 8.239 6.103 1.00 0.00 C ATOM 677 CD1 PHE A 42 -10.458 8.585 6.639 1.00 0.00 C ATOM 678 CD2 PHE A 42 -8.780 6.894 6.137 1.00 0.00 C ATOM 679 CE1 PHE A 42 -11.274 7.601 7.220 1.00 0.00 C ATOM 680 CE2 PHE A 42 -9.595 5.910 6.724 1.00 0.00 C ATOM 681 CZ PHE A 42 -10.844 6.264 7.262 1.00 0.00 C ATOM 0 H PHE A 42 -7.109 8.741 7.357 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.030 10.944 5.604 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.992 9.752 4.624 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.569 8.754 4.843 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -10.794 9.611 6.603 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.827 6.619 5.711 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -12.233 7.872 7.635 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -9.262 4.883 6.761 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.474 5.508 7.708 1.00 0.00 H new ATOM 691 N PRO A 43 -9.196 12.389 5.911 1.00 0.00 N ATOM 692 CA PRO A 43 -8.858 12.574 4.499 1.00 0.00 C ATOM 693 C PRO A 43 -7.404 13.013 4.288 1.00 0.00 C ATOM 694 O PRO A 43 -6.803 13.638 5.165 1.00 0.00 O ATOM 695 CB PRO A 43 -9.843 13.624 3.972 1.00 0.00 C ATOM 696 CG PRO A 43 -10.183 14.448 5.211 1.00 0.00 C ATOM 697 CD PRO A 43 -10.152 13.407 6.327 1.00 0.00 C ATOM 0 HA PRO A 43 -8.942 11.631 3.959 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -9.395 14.239 3.192 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -10.731 13.161 3.542 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -9.457 15.244 5.380 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -11.161 14.921 5.126 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -9.852 13.859 7.272 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -11.140 12.973 6.481 1.00 0.00 H new ATOM 705 N PHE A 44 -6.843 12.686 3.121 1.00 0.00 N ATOM 706 CA PHE A 44 -5.499 13.091 2.708 1.00 0.00 C ATOM 707 C PHE A 44 -5.458 13.213 1.182 1.00 0.00 C ATOM 708 O PHE A 44 -6.335 12.690 0.498 1.00 0.00 O ATOM 709 CB PHE A 44 -4.443 12.094 3.228 1.00 0.00 C ATOM 710 CG PHE A 44 -4.492 10.685 2.653 1.00 0.00 C ATOM 711 CD1 PHE A 44 -3.776 10.378 1.484 1.00 0.00 C ATOM 712 CD2 PHE A 44 -5.211 9.663 3.299 1.00 0.00 C ATOM 713 CE1 PHE A 44 -3.818 9.088 0.931 1.00 0.00 C ATOM 714 CE2 PHE A 44 -5.250 8.365 2.757 1.00 0.00 C ATOM 715 CZ PHE A 44 -4.560 8.079 1.566 1.00 0.00 C ATOM 0 H PHE A 44 -7.323 12.119 2.422 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.260 14.062 3.142 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.455 12.509 3.028 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.546 12.023 4.311 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.185 11.144 1.004 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -5.737 9.876 4.218 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.281 8.872 0.019 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.810 7.588 3.256 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.600 7.087 1.141 1.00 0.00 H new ATOM 725 N MET A 45 -4.457 13.895 0.625 1.00 0.00 N ATOM 726 CA MET A 45 -4.290 14.023 -0.822 1.00 0.00 C ATOM 727 C MET A 45 -3.387 12.892 -1.315 1.00 0.00 C ATOM 728 O MET A 45 -2.395 12.579 -0.656 1.00 0.00 O ATOM 729 CB MET A 45 -3.649 15.390 -1.107 1.00 0.00 C ATOM 730 CG MET A 45 -3.466 15.652 -2.602 1.00 0.00 C ATOM 731 SD MET A 45 -2.544 17.165 -2.966 1.00 0.00 S ATOM 732 CE MET A 45 -2.512 17.001 -4.765 1.00 0.00 C ATOM 0 H MET A 45 -3.738 14.375 1.166 1.00 0.00 H new ATOM 0 HA MET A 45 -5.248 13.956 -1.338 1.00 0.00 H new ATOM 0 HB2 MET A 45 -4.271 16.176 -0.677 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.680 15.443 -0.611 1.00 0.00 H new ATOM 0 HG2 MET A 45 -2.948 14.804 -3.050 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.447 15.712 -3.074 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.834 17.744 -5.186 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.168 16.002 -5.033 1.00 0.00 H new ATOM 0 HE3 MET A 45 -3.515 17.158 -5.163 1.00 0.00 H new ATOM 742 N GLY A 46 -3.651 12.317 -2.490 1.00 0.00 N ATOM 743 CA GLY A 46 -2.766 11.330 -3.076 1.00 0.00 C ATOM 744 C GLY A 46 -2.839 11.355 -4.590 1.00 0.00 C ATOM 745 O GLY A 46 -3.706 11.992 -5.190 1.00 0.00 O ATOM 0 H GLY A 46 -4.477 12.525 -3.051 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.742 11.521 -2.756 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.033 10.338 -2.713 1.00 0.00 H new ATOM 749 N LYS A 47 -1.894 10.666 -5.214 1.00 0.00 N ATOM 750 CA LYS A 47 -1.937 10.398 -6.640 1.00 0.00 C ATOM 751 C LYS A 47 -2.553 9.014 -6.799 1.00 0.00 C ATOM 752 O LYS A 47 -2.074 8.053 -6.192 1.00 0.00 O ATOM 753 CB LYS A 47 -0.515 10.439 -7.232 1.00 0.00 C ATOM 754 CG LYS A 47 -0.529 10.641 -8.756 1.00 0.00 C ATOM 755 CD LYS A 47 -0.850 12.088 -9.183 1.00 0.00 C ATOM 756 CE LYS A 47 0.201 13.150 -8.814 1.00 0.00 C ATOM 757 NZ LYS A 47 1.568 12.824 -9.296 1.00 0.00 N ATOM 0 H LYS A 47 -1.076 10.278 -4.743 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.525 11.147 -7.170 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.049 11.247 -6.765 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.003 9.510 -6.995 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.443 10.359 -9.161 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.265 9.969 -9.197 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.990 12.104 -10.264 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.801 12.376 -8.734 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.103 14.110 -9.230 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.224 13.265 -7.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.047 13.696 -9.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.110 12.380 -8.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.505 12.167 -10.100 1.00 0.00 H new ATOM 771 N TRP A 48 -3.622 8.910 -7.580 1.00 0.00 N ATOM 772 CA TRP A 48 -4.159 7.632 -8.001 1.00 0.00 C ATOM 773 C TRP A 48 -3.315 7.270 -9.218 1.00 0.00 C ATOM 774 O TRP A 48 -3.465 7.860 -10.287 1.00 0.00 O ATOM 775 CB TRP A 48 -5.660 7.743 -8.315 1.00 0.00 C ATOM 776 CG TRP A 48 -6.367 6.475 -8.705 1.00 0.00 C ATOM 777 CD1 TRP A 48 -5.815 5.243 -8.778 1.00 0.00 C ATOM 778 CD2 TRP A 48 -7.774 6.285 -9.059 1.00 0.00 C ATOM 779 NE1 TRP A 48 -6.758 4.319 -9.167 1.00 0.00 N ATOM 780 CE2 TRP A 48 -7.989 4.905 -9.361 1.00 0.00 C ATOM 781 CE3 TRP A 48 -8.898 7.136 -9.141 1.00 0.00 C ATOM 782 CZ2 TRP A 48 -9.245 4.403 -9.733 1.00 0.00 C ATOM 783 CZ3 TRP A 48 -10.170 6.639 -9.487 1.00 0.00 C ATOM 784 CH2 TRP A 48 -10.344 5.276 -9.787 1.00 0.00 C ATOM 0 H TRP A 48 -4.138 9.714 -7.937 1.00 0.00 H new ATOM 0 HA TRP A 48 -4.103 6.860 -7.234 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -6.161 8.155 -7.439 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -5.786 8.464 -9.123 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -4.781 5.016 -8.562 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -6.569 3.325 -9.295 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -8.780 8.189 -8.934 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -9.366 3.357 -9.975 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -11.017 7.309 -9.522 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -11.320 4.902 -10.058 1.00 0.00 H new ATOM 795 N LYS A 49 -2.370 6.351 -9.052 1.00 0.00 N ATOM 796 CA LYS A 49 -1.498 5.848 -10.107 1.00 0.00 C ATOM 797 C LYS A 49 -2.194 4.621 -10.702 1.00 0.00 C ATOM 798 O LYS A 49 -1.755 3.487 -10.510 1.00 0.00 O ATOM 799 CB LYS A 49 -0.112 5.558 -9.496 1.00 0.00 C ATOM 800 CG LYS A 49 0.631 6.869 -9.179 1.00 0.00 C ATOM 801 CD LYS A 49 1.895 6.696 -8.325 1.00 0.00 C ATOM 802 CE LYS A 49 2.910 5.719 -8.935 1.00 0.00 C ATOM 803 NZ LYS A 49 4.228 5.798 -8.259 1.00 0.00 N ATOM 0 H LYS A 49 -2.184 5.920 -8.146 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.328 6.560 -10.915 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.227 4.970 -8.585 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.478 4.959 -10.190 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.905 7.352 -10.117 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.052 7.543 -8.661 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.371 7.667 -8.192 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.610 6.342 -7.334 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.525 4.702 -8.862 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.032 5.938 -9.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.837 5.024 -8.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.677 6.710 -8.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.096 5.716 -7.231 1.00 0.00 H new ATOM 817 N LYS A 50 -3.354 4.849 -11.325 1.00 0.00 N ATOM 818 CA LYS A 50 -4.252 3.785 -11.763 1.00 0.00 C ATOM 819 C LYS A 50 -3.538 2.857 -12.743 1.00 0.00 C ATOM 820 O LYS A 50 -3.144 3.301 -13.822 1.00 0.00 O ATOM 821 CB LYS A 50 -5.515 4.388 -12.397 1.00 0.00 C ATOM 822 CG LYS A 50 -6.544 3.277 -12.653 1.00 0.00 C ATOM 823 CD LYS A 50 -7.672 3.741 -13.577 1.00 0.00 C ATOM 824 CE LYS A 50 -8.471 2.554 -14.140 1.00 0.00 C ATOM 825 NZ LYS A 50 -7.639 1.669 -14.998 1.00 0.00 N ATOM 0 H LYS A 50 -3.696 5.786 -11.540 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.552 3.195 -10.897 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.939 5.145 -11.738 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.262 4.886 -13.333 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.044 2.415 -13.096 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.966 2.948 -11.703 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.342 4.403 -13.029 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.253 4.321 -14.400 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.884 1.973 -13.315 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.315 2.929 -14.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.256 1.114 -15.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.993 2.249 -15.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.085 1.025 -14.398 1.00 0.00 H new ATOM 976 N GLU A 59 -1.602 5.329 -15.110 1.00 0.00 N ATOM 977 CA GLU A 59 -2.304 6.521 -15.552 1.00 0.00 C ATOM 978 C GLU A 59 -2.531 7.340 -14.283 1.00 0.00 C ATOM 979 O GLU A 59 -3.329 6.969 -13.420 1.00 0.00 O ATOM 980 CB GLU A 59 -3.627 6.150 -16.246 1.00 0.00 C ATOM 981 CG GLU A 59 -3.438 5.619 -17.675 1.00 0.00 C ATOM 982 CD GLU A 59 -3.062 6.735 -18.667 1.00 0.00 C ATOM 983 OE1 GLU A 59 -3.966 7.454 -19.151 1.00 0.00 O ATOM 984 OE2 GLU A 59 -1.865 6.898 -18.995 1.00 0.00 O ATOM 0 HA GLU A 59 -1.738 7.088 -16.291 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.142 5.396 -15.651 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.272 7.028 -16.275 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.659 4.856 -17.677 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.358 5.136 -18.006 1.00 0.00 H new ATOM 991 N GLU A 60 -1.749 8.407 -14.120 1.00 0.00 N ATOM 992 CA GLU A 60 -1.821 9.275 -12.954 1.00 0.00 C ATOM 993 C GLU A 60 -3.097 10.122 -12.987 1.00 0.00 C ATOM 994 O GLU A 60 -3.449 10.685 -14.029 1.00 0.00 O ATOM 995 CB GLU A 60 -0.611 10.224 -12.939 1.00 0.00 C ATOM 996 CG GLU A 60 0.695 9.537 -12.530 1.00 0.00 C ATOM 997 CD GLU A 60 1.864 10.538 -12.518 1.00 0.00 C ATOM 998 OE1 GLU A 60 1.869 11.452 -11.662 1.00 0.00 O ATOM 999 OE2 GLU A 60 2.788 10.415 -13.355 1.00 0.00 O ATOM 0 H GLU A 60 -1.044 8.692 -14.800 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.825 8.647 -12.063 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.488 10.660 -13.930 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.812 11.046 -12.252 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.582 9.092 -11.541 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.915 8.724 -13.222 1.00 0.00 H new ATOM 1006 N LYS A 61 -3.740 10.275 -11.828 1.00 0.00 N ATOM 1007 CA LYS A 61 -4.832 11.214 -11.577 1.00 0.00 C ATOM 1008 C LYS A 61 -4.568 11.775 -10.184 1.00 0.00 C ATOM 1009 O LYS A 61 -4.064 11.050 -9.323 1.00 0.00 O ATOM 1010 CB LYS A 61 -6.200 10.510 -11.637 1.00 0.00 C ATOM 1011 CG LYS A 61 -6.576 10.077 -13.063 1.00 0.00 C ATOM 1012 CD LYS A 61 -7.989 9.480 -13.156 1.00 0.00 C ATOM 1013 CE LYS A 61 -8.108 8.147 -12.402 1.00 0.00 C ATOM 1014 NZ LYS A 61 -9.461 7.548 -12.541 1.00 0.00 N ATOM 0 H LYS A 61 -3.503 9.723 -11.004 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.866 12.000 -12.332 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.184 9.635 -10.987 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.967 11.180 -11.250 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.507 10.938 -13.728 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.853 9.342 -13.416 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.709 10.190 -12.750 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.248 9.327 -14.204 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.362 7.449 -12.780 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.889 8.307 -11.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.796 7.227 -11.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.119 8.260 -12.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.417 6.738 -13.191 1.00 0.00 H new ATOM 1028 N THR A 62 -4.884 13.040 -9.937 1.00 0.00 N ATOM 1029 CA THR A 62 -4.604 13.677 -8.652 1.00 0.00 C ATOM 1030 C THR A 62 -5.914 13.678 -7.874 1.00 0.00 C ATOM 1031 O THR A 62 -6.924 14.175 -8.383 1.00 0.00 O ATOM 1032 CB THR A 62 -4.020 15.077 -8.892 1.00 0.00 C ATOM 1033 OG1 THR A 62 -2.950 15.007 -9.820 1.00 0.00 O ATOM 1034 CG2 THR A 62 -3.455 15.670 -7.604 1.00 0.00 C ATOM 0 H THR A 62 -5.339 13.652 -10.615 1.00 0.00 H new ATOM 0 HA THR A 62 -3.855 13.145 -8.066 1.00 0.00 H new ATOM 0 HB THR A 62 -4.831 15.701 -9.269 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.586 15.905 -9.968 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.049 16.661 -7.807 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.248 15.748 -6.861 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.663 15.025 -7.223 1.00 0.00 H new ATOM 1042 N VAL A 63 -5.927 13.114 -6.662 1.00 0.00 N ATOM 1043 CA VAL A 63 -7.164 12.860 -5.943 1.00 0.00 C ATOM 1044 C VAL A 63 -7.051 13.234 -4.467 1.00 0.00 C ATOM 1045 O VAL A 63 -5.971 13.275 -3.877 1.00 0.00 O ATOM 1046 CB VAL A 63 -7.604 11.385 -6.119 1.00 0.00 C ATOM 1047 CG1 VAL A 63 -7.765 10.975 -7.592 1.00 0.00 C ATOM 1048 CG2 VAL A 63 -6.660 10.369 -5.456 1.00 0.00 C ATOM 0 H VAL A 63 -5.086 12.826 -6.162 1.00 0.00 H new ATOM 0 HA VAL A 63 -7.934 13.500 -6.374 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.570 11.355 -5.616 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.074 9.931 -7.647 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.521 11.603 -8.064 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.814 11.100 -8.110 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.036 9.360 -5.624 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.664 10.462 -5.889 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.610 10.564 -4.385 1.00 0.00 H new ATOM 1058 N GLU A 64 -8.202 13.495 -3.868 1.00 0.00 N ATOM 1059 CA GLU A 64 -8.374 13.652 -2.436 1.00 0.00 C ATOM 1060 C GLU A 64 -8.998 12.338 -1.975 1.00 0.00 C ATOM 1061 O GLU A 64 -10.063 11.959 -2.459 1.00 0.00 O ATOM 1062 CB GLU A 64 -9.254 14.877 -2.139 1.00 0.00 C ATOM 1063 CG GLU A 64 -9.394 15.107 -0.628 1.00 0.00 C ATOM 1064 CD GLU A 64 -10.116 16.431 -0.322 1.00 0.00 C ATOM 1065 OE1 GLU A 64 -11.364 16.487 -0.393 1.00 0.00 O ATOM 1066 OE2 GLU A 64 -9.439 17.432 0.009 1.00 0.00 O ATOM 0 H GLU A 64 -9.073 13.607 -4.387 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.441 13.838 -1.904 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.820 15.761 -2.605 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.240 14.735 -2.581 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.946 14.279 -0.183 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.406 15.116 -0.167 1.00 0.00 H new ATOM 1073 N VAL A 65 -8.311 11.603 -1.109 1.00 0.00 N ATOM 1074 CA VAL A 65 -8.769 10.348 -0.538 1.00 0.00 C ATOM 1075 C VAL A 65 -9.651 10.711 0.650 1.00 0.00 C ATOM 1076 O VAL A 65 -9.178 11.349 1.593 1.00 0.00 O ATOM 1077 CB VAL A 65 -7.560 9.483 -0.116 1.00 0.00 C ATOM 1078 CG1 VAL A 65 -8.043 8.149 0.474 1.00 0.00 C ATOM 1079 CG2 VAL A 65 -6.625 9.219 -1.310 1.00 0.00 C ATOM 0 H VAL A 65 -7.387 11.877 -0.775 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.335 9.756 -1.258 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.001 10.031 0.643 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.182 7.548 0.768 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -8.666 8.342 1.347 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.624 7.609 -0.274 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.783 8.608 -0.985 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.173 8.694 -2.092 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.256 10.168 -1.700 1.00 0.00 H new ATOM 1089 N LEU A 66 -10.929 10.334 0.601 1.00 0.00 N ATOM 1090 CA LEU A 66 -11.879 10.648 1.661 1.00 0.00 C ATOM 1091 C LEU A 66 -11.718 9.669 2.821 1.00 0.00 C ATOM 1092 O LEU A 66 -11.827 10.077 3.977 1.00 0.00 O ATOM 1093 CB LEU A 66 -13.334 10.622 1.154 1.00 0.00 C ATOM 1094 CG LEU A 66 -13.724 11.646 0.065 1.00 0.00 C ATOM 1095 CD1 LEU A 66 -13.114 13.036 0.291 1.00 0.00 C ATOM 1096 CD2 LEU A 66 -13.364 11.164 -1.343 1.00 0.00 C ATOM 0 H LEU A 66 -11.331 9.804 -0.173 1.00 0.00 H new ATOM 0 HA LEU A 66 -11.662 11.660 2.004 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -13.538 9.624 0.767 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -13.992 10.773 2.010 1.00 0.00 H new ATOM 0 HG LEU A 66 -14.807 11.734 0.147 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -13.428 13.706 -0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -13.453 13.431 1.249 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -12.027 12.960 0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -13.658 11.919 -2.072 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -12.289 10.998 -1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -13.888 10.232 -1.554 1.00 0.00 H new ATOM 1108 N GLY A 67 -11.445 8.394 2.530 1.00 0.00 N ATOM 1109 CA GLY A 67 -11.243 7.354 3.513 1.00 0.00 C ATOM 1110 C GLY A 67 -11.306 5.997 2.834 1.00 0.00 C ATOM 1111 O GLY A 67 -11.529 5.908 1.624 1.00 0.00 O ATOM 0 H GLY A 67 -11.358 8.058 1.571 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -10.277 7.483 4.002 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -12.005 7.420 4.290 1.00 0.00 H new ATOM 1115 N MET A 68 -11.087 4.936 3.603 1.00 0.00 N ATOM 1116 CA MET A 68 -11.257 3.572 3.109 1.00 0.00 C ATOM 1117 C MET A 68 -12.724 3.320 2.752 1.00 0.00 C ATOM 1118 O MET A 68 -13.634 3.878 3.373 1.00 0.00 O ATOM 1119 CB MET A 68 -10.739 2.528 4.105 1.00 0.00 C ATOM 1120 CG MET A 68 -9.215 2.609 4.247 1.00 0.00 C ATOM 1121 SD MET A 68 -8.471 1.198 5.104 1.00 0.00 S ATOM 1122 CE MET A 68 -8.387 -0.007 3.753 1.00 0.00 C ATOM 0 H MET A 68 -10.790 4.994 4.577 1.00 0.00 H new ATOM 0 HA MET A 68 -10.654 3.467 2.207 1.00 0.00 H new ATOM 0 HB2 MET A 68 -11.207 2.685 5.077 1.00 0.00 H new ATOM 0 HB3 MET A 68 -11.024 1.530 3.772 1.00 0.00 H new ATOM 0 HG2 MET A 68 -8.773 2.690 3.254 1.00 0.00 H new ATOM 0 HG3 MET A 68 -8.960 3.522 4.785 1.00 0.00 H new ATOM 0 HE1 MET A 68 -8.367 -1.016 4.166 1.00 0.00 H new ATOM 0 HE2 MET A 68 -9.261 0.105 3.111 1.00 0.00 H new ATOM 0 HE3 MET A 68 -7.483 0.164 3.169 1.00 0.00 H new ATOM 1132 N ALA A 69 -12.939 2.460 1.756 1.00 0.00 N ATOM 1133 CA ALA A 69 -14.257 1.939 1.418 1.00 0.00 C ATOM 1134 C ALA A 69 -14.810 1.118 2.601 1.00 0.00 C ATOM 1135 O ALA A 69 -14.025 0.666 3.444 1.00 0.00 O ATOM 1136 CB ALA A 69 -14.127 1.078 0.156 1.00 0.00 C ATOM 0 H ALA A 69 -12.194 2.104 1.157 1.00 0.00 H new ATOM 0 HA ALA A 69 -14.955 2.753 1.223 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -15.104 0.678 -0.114 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.746 1.688 -0.663 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.438 0.255 0.346 1.00 0.00 H new ATOM 1142 N PRO A 70 -16.133 0.891 2.680 1.00 0.00 N ATOM 1143 CA PRO A 70 -16.717 0.049 3.717 1.00 0.00 C ATOM 1144 C PRO A 70 -16.286 -1.415 3.562 1.00 0.00 C ATOM 1145 O PRO A 70 -15.814 -1.846 2.505 1.00 0.00 O ATOM 1146 CB PRO A 70 -18.235 0.224 3.582 1.00 0.00 C ATOM 1147 CG PRO A 70 -18.423 0.600 2.114 1.00 0.00 C ATOM 1148 CD PRO A 70 -17.174 1.426 1.813 1.00 0.00 C ATOM 0 HA PRO A 70 -16.377 0.339 4.711 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -18.768 -0.693 3.833 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -18.610 1.002 4.247 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -18.488 -0.281 1.476 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -19.336 1.175 1.958 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -16.892 1.342 0.764 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -17.346 2.484 2.013 1.00 0.00 H new ATOM 1156 N ASP A 71 -16.534 -2.206 4.608 1.00 0.00 N ATOM 1157 CA ASP A 71 -16.290 -3.650 4.642 1.00 0.00 C ATOM 1158 C ASP A 71 -16.962 -4.393 3.483 1.00 0.00 C ATOM 1159 O ASP A 71 -16.456 -5.426 3.056 1.00 0.00 O ATOM 1160 CB ASP A 71 -16.742 -4.254 5.980 1.00 0.00 C ATOM 1161 CG ASP A 71 -18.260 -4.499 6.053 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -19.025 -3.517 6.181 1.00 0.00 O ATOM 1163 OD2 ASP A 71 -18.694 -5.672 6.021 1.00 0.00 O ATOM 0 H ASP A 71 -16.922 -1.849 5.481 1.00 0.00 H new ATOM 0 HA ASP A 71 -15.213 -3.779 4.533 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -16.220 -5.197 6.140 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -16.449 -3.586 6.790 1.00 0.00 H new ATOM 1168 N ASP A 72 -18.047 -3.843 2.929 1.00 0.00 N ATOM 1169 CA ASP A 72 -18.767 -4.400 1.781 1.00 0.00 C ATOM 1170 C ASP A 72 -17.871 -4.567 0.545 1.00 0.00 C ATOM 1171 O ASP A 72 -18.147 -5.414 -0.305 1.00 0.00 O ATOM 1172 CB ASP A 72 -19.964 -3.504 1.445 1.00 0.00 C ATOM 1173 CG ASP A 72 -20.785 -4.072 0.274 1.00 0.00 C ATOM 1174 OD1 ASP A 72 -21.445 -5.123 0.446 1.00 0.00 O ATOM 1175 OD2 ASP A 72 -20.825 -3.442 -0.807 1.00 0.00 O ATOM 0 H ASP A 72 -18.459 -2.977 3.276 1.00 0.00 H new ATOM 0 HA ASP A 72 -19.109 -5.396 2.061 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -20.602 -3.404 2.323 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -19.611 -2.504 1.192 1.00 0.00 H new ATOM 1180 N GLU A 73 -16.771 -3.810 0.468 1.00 0.00 N ATOM 1181 CA GLU A 73 -15.762 -3.928 -0.581 1.00 0.00 C ATOM 1182 C GLU A 73 -14.414 -4.324 0.029 1.00 0.00 C ATOM 1183 O GLU A 73 -13.698 -5.140 -0.554 1.00 0.00 O ATOM 1184 CB GLU A 73 -15.661 -2.612 -1.370 1.00 0.00 C ATOM 1185 CG GLU A 73 -16.958 -2.305 -2.136 1.00 0.00 C ATOM 1186 CD GLU A 73 -16.822 -1.054 -3.021 1.00 0.00 C ATOM 1187 OE1 GLU A 73 -16.378 -1.176 -4.186 1.00 0.00 O ATOM 1188 OE2 GLU A 73 -17.202 0.052 -2.576 1.00 0.00 O ATOM 0 H GLU A 73 -16.556 -3.083 1.150 1.00 0.00 H new ATOM 0 HA GLU A 73 -16.057 -4.712 -1.279 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -15.441 -1.793 -0.685 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.830 -2.672 -2.072 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -17.224 -3.161 -2.756 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -17.773 -2.160 -1.426 1.00 0.00 H new ATOM 1195 N CYS A 74 -14.092 -3.841 1.236 1.00 0.00 N ATOM 1196 CA CYS A 74 -12.835 -4.158 1.910 1.00 0.00 C ATOM 1197 C CYS A 74 -12.718 -5.615 2.386 1.00 0.00 C ATOM 1198 O CYS A 74 -11.712 -5.987 2.986 1.00 0.00 O ATOM 1199 CB CYS A 74 -12.546 -3.132 3.009 1.00 0.00 C ATOM 1200 SG CYS A 74 -12.113 -1.551 2.226 1.00 0.00 S ATOM 0 H CYS A 74 -14.699 -3.219 1.770 1.00 0.00 H new ATOM 0 HA CYS A 74 -12.047 -4.078 1.161 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -13.418 -3.010 3.651 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -11.729 -3.477 3.643 1.00 0.00 H new ATOM 0 HG CYS A 74 -12.877 -0.610 2.696 1.00 0.00 H new ATOM 1206 N LEU A 75 -13.724 -6.448 2.116 1.00 0.00 N ATOM 1207 CA LEU A 75 -13.684 -7.898 2.296 1.00 0.00 C ATOM 1208 C LEU A 75 -12.959 -8.577 1.131 1.00 0.00 C ATOM 1209 O LEU A 75 -12.576 -9.740 1.259 1.00 0.00 O ATOM 1210 CB LEU A 75 -15.117 -8.460 2.382 1.00 0.00 C ATOM 1211 CG LEU A 75 -15.681 -8.478 3.814 1.00 0.00 C ATOM 1212 CD1 LEU A 75 -17.199 -8.661 3.759 1.00 0.00 C ATOM 1213 CD2 LEU A 75 -15.061 -9.607 4.650 1.00 0.00 C ATOM 0 H LEU A 75 -14.619 -6.119 1.754 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.144 -8.103 3.221 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -15.772 -7.862 1.749 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -15.126 -9.474 1.983 1.00 0.00 H new ATOM 0 HG LEU A 75 -15.431 -7.529 4.289 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -17.601 -8.674 4.772 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -17.645 -7.837 3.202 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -17.434 -9.603 3.263 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -15.483 -9.589 5.655 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -15.278 -10.567 4.182 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.982 -9.467 4.707 1.00 0.00 H new ATOM 1225 N LYS A 76 -12.793 -7.891 -0.007 1.00 0.00 N ATOM 1226 CA LYS A 76 -12.307 -8.498 -1.244 1.00 0.00 C ATOM 1227 C LYS A 76 -10.915 -7.983 -1.581 1.00 0.00 C ATOM 1228 O LYS A 76 -10.071 -8.769 -2.009 1.00 0.00 O ATOM 1229 CB LYS A 76 -13.287 -8.214 -2.395 1.00 0.00 C ATOM 1230 CG LYS A 76 -14.717 -8.733 -2.159 1.00 0.00 C ATOM 1231 CD LYS A 76 -14.801 -10.261 -2.001 1.00 0.00 C ATOM 1232 CE LYS A 76 -16.245 -10.753 -1.816 1.00 0.00 C ATOM 1233 NZ LYS A 76 -17.076 -10.601 -3.039 1.00 0.00 N ATOM 0 H LYS A 76 -12.994 -6.895 -0.092 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.244 -9.577 -1.102 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -13.328 -7.138 -2.563 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.896 -8.665 -3.307 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -15.122 -8.261 -1.264 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -15.348 -8.428 -2.994 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -14.367 -10.739 -2.880 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -14.203 -10.568 -1.143 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -16.230 -11.803 -1.523 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -16.708 -10.201 -0.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -18.033 -10.965 -2.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -17.132 -9.595 -3.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -16.645 -11.136 -3.820 1.00 0.00 H new ATOM 1247 N ASP A 77 -10.658 -6.693 -1.364 1.00 0.00 N ATOM 1248 CA ASP A 77 -9.350 -6.062 -1.567 1.00 0.00 C ATOM 1249 C ASP A 77 -9.357 -4.730 -0.813 1.00 0.00 C ATOM 1250 O ASP A 77 -10.425 -4.276 -0.405 1.00 0.00 O ATOM 1251 CB ASP A 77 -9.082 -5.835 -3.068 1.00 0.00 C ATOM 1252 CG ASP A 77 -7.642 -5.389 -3.381 1.00 0.00 C ATOM 1253 OD1 ASP A 77 -6.752 -5.529 -2.514 1.00 0.00 O ATOM 1254 OD2 ASP A 77 -7.399 -4.942 -4.525 1.00 0.00 O ATOM 0 H ASP A 77 -11.369 -6.041 -1.034 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.556 -6.707 -1.191 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.292 -6.758 -3.609 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.775 -5.081 -3.442 1.00 0.00 H new ATOM 1259 N MET A 78 -8.207 -4.097 -0.592 1.00 0.00 N ATOM 1260 CA MET A 78 -8.157 -2.811 0.101 1.00 0.00 C ATOM 1261 C MET A 78 -8.555 -1.704 -0.881 1.00 0.00 C ATOM 1262 O MET A 78 -7.919 -1.539 -1.927 1.00 0.00 O ATOM 1263 CB MET A 78 -6.758 -2.567 0.686 1.00 0.00 C ATOM 1264 CG MET A 78 -6.359 -3.585 1.764 1.00 0.00 C ATOM 1265 SD MET A 78 -7.423 -3.665 3.237 1.00 0.00 S ATOM 1266 CE MET A 78 -8.481 -5.082 2.825 1.00 0.00 C ATOM 0 H MET A 78 -7.297 -4.454 -0.883 1.00 0.00 H new ATOM 0 HA MET A 78 -8.858 -2.813 0.935 1.00 0.00 H new ATOM 0 HB2 MET A 78 -6.025 -2.598 -0.120 1.00 0.00 H new ATOM 0 HB3 MET A 78 -6.721 -1.565 1.113 1.00 0.00 H new ATOM 0 HG2 MET A 78 -6.334 -4.574 1.307 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.343 -3.358 2.088 1.00 0.00 H new ATOM 0 HE1 MET A 78 -9.521 -4.759 2.781 1.00 0.00 H new ATOM 0 HE2 MET A 78 -8.186 -5.487 1.857 1.00 0.00 H new ATOM 0 HE3 MET A 78 -8.372 -5.852 3.589 1.00 0.00 H new ATOM 1276 N TYR A 79 -9.577 -0.916 -0.534 1.00 0.00 N ATOM 1277 CA TYR A 79 -10.150 0.118 -1.392 1.00 0.00 C ATOM 1278 C TYR A 79 -10.337 1.414 -0.601 1.00 0.00 C ATOM 1279 O TYR A 79 -10.455 1.398 0.626 1.00 0.00 O ATOM 1280 CB TYR A 79 -11.514 -0.341 -1.936 1.00 0.00 C ATOM 1281 CG TYR A 79 -11.515 -1.457 -2.963 1.00 0.00 C ATOM 1282 CD1 TYR A 79 -11.143 -1.194 -4.296 1.00 0.00 C ATOM 1283 CD2 TYR A 79 -11.991 -2.733 -2.611 1.00 0.00 C ATOM 1284 CE1 TYR A 79 -11.237 -2.205 -5.269 1.00 0.00 C ATOM 1285 CE2 TYR A 79 -12.098 -3.747 -3.579 1.00 0.00 C ATOM 1286 CZ TYR A 79 -11.715 -3.488 -4.915 1.00 0.00 C ATOM 1287 OH TYR A 79 -11.809 -4.456 -5.870 1.00 0.00 O ATOM 0 H TYR A 79 -10.038 -0.983 0.374 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.467 0.294 -2.223 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -12.124 -0.660 -1.091 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -12.009 0.524 -2.378 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -10.785 -0.213 -4.572 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -12.276 -2.935 -1.589 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -10.944 -2.001 -6.288 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -12.472 -4.722 -3.303 1.00 0.00 H new ATOM 0 HH TYR A 79 -12.153 -5.280 -5.467 1.00 0.00 H new ATOM 1297 N VAL A 80 -10.412 2.531 -1.319 1.00 0.00 N ATOM 1298 CA VAL A 80 -10.513 3.877 -0.777 1.00 0.00 C ATOM 1299 C VAL A 80 -11.447 4.684 -1.673 1.00 0.00 C ATOM 1300 O VAL A 80 -11.418 4.539 -2.894 1.00 0.00 O ATOM 1301 CB VAL A 80 -9.116 4.535 -0.673 1.00 0.00 C ATOM 1302 CG1 VAL A 80 -8.393 4.150 0.623 1.00 0.00 C ATOM 1303 CG2 VAL A 80 -8.181 4.227 -1.855 1.00 0.00 C ATOM 0 H VAL A 80 -10.403 2.519 -2.339 1.00 0.00 H new ATOM 0 HA VAL A 80 -10.920 3.844 0.234 1.00 0.00 H new ATOM 0 HB VAL A 80 -9.331 5.603 -0.685 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.417 4.635 0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.985 4.473 1.480 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.262 3.068 0.659 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.224 4.727 -1.702 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -8.022 3.151 -1.922 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -8.633 4.585 -2.780 1.00 0.00 H new ATOM 1313 N GLU A 81 -12.287 5.519 -1.070 1.00 0.00 N ATOM 1314 CA GLU A 81 -13.112 6.485 -1.776 1.00 0.00 C ATOM 1315 C GLU A 81 -12.227 7.691 -2.074 1.00 0.00 C ATOM 1316 O GLU A 81 -11.505 8.162 -1.187 1.00 0.00 O ATOM 1317 CB GLU A 81 -14.311 6.899 -0.909 1.00 0.00 C ATOM 1318 CG GLU A 81 -15.281 5.733 -0.672 1.00 0.00 C ATOM 1319 CD GLU A 81 -16.540 6.195 0.084 1.00 0.00 C ATOM 1320 OE1 GLU A 81 -16.521 6.256 1.334 1.00 0.00 O ATOM 1321 OE2 GLU A 81 -17.571 6.486 -0.564 1.00 0.00 O ATOM 0 H GLU A 81 -12.414 5.541 -0.058 1.00 0.00 H new ATOM 0 HA GLU A 81 -13.508 6.059 -2.698 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -13.953 7.273 0.050 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -14.842 7.719 -1.393 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -15.569 5.297 -1.629 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -14.779 4.950 -0.103 1.00 0.00 H new ATOM 1328 N VAL A 82 -12.276 8.200 -3.303 1.00 0.00 N ATOM 1329 CA VAL A 82 -11.395 9.267 -3.763 1.00 0.00 C ATOM 1330 C VAL A 82 -12.193 10.253 -4.621 1.00 0.00 C ATOM 1331 O VAL A 82 -13.117 9.844 -5.319 1.00 0.00 O ATOM 1332 CB VAL A 82 -10.169 8.681 -4.506 1.00 0.00 C ATOM 1333 CG1 VAL A 82 -9.414 7.628 -3.679 1.00 0.00 C ATOM 1334 CG2 VAL A 82 -10.497 8.055 -5.871 1.00 0.00 C ATOM 0 H VAL A 82 -12.935 7.879 -4.013 1.00 0.00 H new ATOM 0 HA VAL A 82 -11.001 9.817 -2.908 1.00 0.00 H new ATOM 0 HB VAL A 82 -9.539 9.556 -4.665 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -8.566 7.255 -4.253 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -9.056 8.080 -2.754 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -10.084 6.802 -3.443 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.583 7.669 -6.323 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.208 7.240 -5.736 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -10.933 8.812 -6.523 1.00 0.00 H new ATOM 1344 N ALA A 83 -11.836 11.536 -4.612 1.00 0.00 N ATOM 1345 CA ALA A 83 -12.465 12.575 -5.420 1.00 0.00 C ATOM 1346 C ALA A 83 -11.388 13.183 -6.307 1.00 0.00 C ATOM 1347 O ALA A 83 -10.289 13.472 -5.831 1.00 0.00 O ATOM 1348 CB ALA A 83 -13.097 13.638 -4.516 1.00 0.00 C ATOM 0 H ALA A 83 -11.080 11.890 -4.026 1.00 0.00 H new ATOM 0 HA ALA A 83 -13.262 12.157 -6.036 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -13.563 14.408 -5.131 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -13.852 13.174 -3.881 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -12.326 14.090 -3.892 1.00 0.00 H new ATOM 1354 N ASP A 84 -11.681 13.344 -7.595 1.00 0.00 N ATOM 1355 CA ASP A 84 -10.712 13.828 -8.573 1.00 0.00 C ATOM 1356 C ASP A 84 -10.487 15.327 -8.401 1.00 0.00 C ATOM 1357 O ASP A 84 -11.367 16.126 -8.717 1.00 0.00 O ATOM 1358 CB ASP A 84 -11.185 13.521 -9.998 1.00 0.00 C ATOM 1359 CG ASP A 84 -10.256 14.178 -11.020 1.00 0.00 C ATOM 1360 OD1 ASP A 84 -9.063 13.813 -11.073 1.00 0.00 O ATOM 1361 OD2 ASP A 84 -10.733 15.072 -11.750 1.00 0.00 O ATOM 0 H ASP A 84 -12.599 13.142 -7.990 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.767 13.312 -8.405 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -11.207 12.443 -10.157 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -12.203 13.884 -10.136 1.00 0.00 H new ATOM 1366 N ILE A 85 -9.310 15.712 -7.909 1.00 0.00 N ATOM 1367 CA ILE A 85 -8.887 17.109 -7.838 1.00 0.00 C ATOM 1368 C ILE A 85 -8.515 17.581 -9.257 1.00 0.00 C ATOM 1369 O ILE A 85 -8.665 18.762 -9.572 1.00 0.00 O ATOM 1370 CB ILE A 85 -7.690 17.276 -6.865 1.00 0.00 C ATOM 1371 CG1 ILE A 85 -7.909 16.607 -5.487 1.00 0.00 C ATOM 1372 CG2 ILE A 85 -7.382 18.765 -6.621 1.00 0.00 C ATOM 1373 CD1 ILE A 85 -6.629 16.548 -4.638 1.00 0.00 C ATOM 0 H ILE A 85 -8.618 15.057 -7.546 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.703 17.720 -7.452 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.856 16.777 -7.358 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.676 17.156 -4.941 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.286 15.595 -5.636 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.539 18.855 -5.936 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.133 19.245 -7.567 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.256 19.251 -6.187 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.847 16.068 -3.684 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.868 15.975 -5.167 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.263 17.559 -4.460 1.00 0.00 H new ATOM 1457 N VAL A 92 -17.046 11.664 -6.999 1.00 0.00 N ATOM 1458 CA VAL A 92 -16.304 10.731 -6.159 1.00 0.00 C ATOM 1459 C VAL A 92 -16.324 9.353 -6.836 1.00 0.00 C ATOM 1460 O VAL A 92 -17.300 8.971 -7.488 1.00 0.00 O ATOM 1461 CB VAL A 92 -16.911 10.698 -4.733 1.00 0.00 C ATOM 1462 CG1 VAL A 92 -16.022 9.945 -3.732 1.00 0.00 C ATOM 1463 CG2 VAL A 92 -17.167 12.101 -4.148 1.00 0.00 C ATOM 0 HA VAL A 92 -15.267 11.048 -6.049 1.00 0.00 H new ATOM 0 HB VAL A 92 -17.860 10.178 -4.864 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -16.494 9.952 -2.749 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -15.891 8.915 -4.064 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -15.049 10.433 -3.671 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -17.592 12.007 -3.149 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -16.226 12.649 -4.092 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -17.864 12.641 -4.789 1.00 0.00 H new ATOM 1473 N TYR A 93 -15.236 8.614 -6.648 1.00 0.00 N ATOM 1474 CA TYR A 93 -14.965 7.288 -7.177 1.00 0.00 C ATOM 1475 C TYR A 93 -14.439 6.405 -6.037 1.00 0.00 C ATOM 1476 O TYR A 93 -14.259 6.861 -4.905 1.00 0.00 O ATOM 1477 CB TYR A 93 -13.900 7.393 -8.288 1.00 0.00 C ATOM 1478 CG TYR A 93 -14.261 8.200 -9.524 1.00 0.00 C ATOM 1479 CD1 TYR A 93 -15.361 7.822 -10.319 1.00 0.00 C ATOM 1480 CD2 TYR A 93 -13.434 9.264 -9.937 1.00 0.00 C ATOM 1481 CE1 TYR A 93 -15.624 8.489 -11.529 1.00 0.00 C ATOM 1482 CE2 TYR A 93 -13.681 9.925 -11.154 1.00 0.00 C ATOM 1483 CZ TYR A 93 -14.772 9.529 -11.963 1.00 0.00 C ATOM 1484 OH TYR A 93 -14.990 10.116 -13.174 1.00 0.00 O ATOM 0 H TYR A 93 -14.463 8.956 -6.077 1.00 0.00 H new ATOM 0 HA TYR A 93 -15.874 6.853 -7.592 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -13.000 7.827 -7.853 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -13.645 6.383 -8.607 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -16.005 7.017 -9.998 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -12.606 9.573 -9.316 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -16.478 8.206 -12.127 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -13.039 10.734 -11.470 1.00 0.00 H new ATOM 0 HH TYR A 93 -14.319 10.814 -13.325 1.00 0.00 H new ATOM 1494 N THR A 94 -14.129 5.155 -6.366 1.00 0.00 N ATOM 1495 CA THR A 94 -13.421 4.233 -5.488 1.00 0.00 C ATOM 1496 C THR A 94 -12.193 3.743 -6.257 1.00 0.00 C ATOM 1497 O THR A 94 -12.271 3.475 -7.460 1.00 0.00 O ATOM 1498 CB THR A 94 -14.352 3.094 -5.027 1.00 0.00 C ATOM 1499 OG1 THR A 94 -15.622 3.598 -4.646 1.00 0.00 O ATOM 1500 CG2 THR A 94 -13.776 2.337 -3.827 1.00 0.00 C ATOM 0 H THR A 94 -14.369 4.747 -7.270 1.00 0.00 H new ATOM 0 HA THR A 94 -13.094 4.719 -4.569 1.00 0.00 H new ATOM 0 HB THR A 94 -14.448 2.418 -5.876 1.00 0.00 H new ATOM 0 HG1 THR A 94 -16.195 2.857 -4.359 1.00 0.00 H new ATOM 0 HG21 THR A 94 -14.463 1.543 -3.534 1.00 0.00 H new ATOM 0 HG22 THR A 94 -12.814 1.903 -4.099 1.00 0.00 H new ATOM 0 HG23 THR A 94 -13.641 3.026 -2.993 1.00 0.00 H new ATOM 1508 N ALA A 95 -11.065 3.645 -5.558 1.00 0.00 N ATOM 1509 CA ALA A 95 -9.774 3.238 -6.084 1.00 0.00 C ATOM 1510 C ALA A 95 -9.226 2.138 -5.182 1.00 0.00 C ATOM 1511 O ALA A 95 -9.595 2.040 -4.009 1.00 0.00 O ATOM 1512 CB ALA A 95 -8.834 4.450 -6.103 1.00 0.00 C ATOM 0 H ALA A 95 -11.030 3.859 -4.561 1.00 0.00 H new ATOM 0 HA ALA A 95 -9.864 2.861 -7.103 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -7.863 4.151 -6.497 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -9.258 5.229 -6.736 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -8.712 4.832 -5.089 1.00 0.00 H new ATOM 1518 N LYS A 96 -8.334 1.305 -5.714 1.00 0.00 N ATOM 1519 CA LYS A 96 -7.603 0.344 -4.907 1.00 0.00 C ATOM 1520 C LYS A 96 -6.568 1.125 -4.115 1.00 0.00 C ATOM 1521 O LYS A 96 -5.888 1.988 -4.672 1.00 0.00 O ATOM 1522 CB LYS A 96 -6.905 -0.678 -5.814 1.00 0.00 C ATOM 1523 CG LYS A 96 -7.890 -1.612 -6.538 1.00 0.00 C ATOM 1524 CD LYS A 96 -7.192 -2.366 -7.679 1.00 0.00 C ATOM 1525 CE LYS A 96 -7.074 -1.472 -8.925 1.00 0.00 C ATOM 1526 NZ LYS A 96 -5.892 -1.800 -9.753 1.00 0.00 N ATOM 0 H LYS A 96 -8.103 1.280 -6.707 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.276 -0.198 -4.242 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.305 -0.148 -6.554 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.218 -1.277 -5.216 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.309 -2.325 -5.828 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.722 -1.031 -6.936 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -6.200 -2.685 -7.358 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.753 -3.268 -7.923 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -7.976 -1.576 -9.529 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -7.017 -0.429 -8.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -5.906 -1.227 -10.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -5.025 -1.595 -9.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -5.913 -2.809 -10.004 1.00 0.00 H new ATOM 1540 N LEU A 97 -6.380 0.774 -2.846 1.00 0.00 N ATOM 1541 CA LEU A 97 -5.259 1.289 -2.057 1.00 0.00 C ATOM 1542 C LEU A 97 -3.942 0.900 -2.750 1.00 0.00 C ATOM 1543 O LEU A 97 -2.964 1.642 -2.708 1.00 0.00 O ATOM 1544 CB LEU A 97 -5.328 0.715 -0.631 1.00 0.00 C ATOM 1545 CG LEU A 97 -4.328 1.358 0.352 1.00 0.00 C ATOM 1546 CD1 LEU A 97 -4.667 2.831 0.618 1.00 0.00 C ATOM 1547 CD2 LEU A 97 -4.366 0.599 1.681 1.00 0.00 C ATOM 0 H LEU A 97 -6.990 0.133 -2.339 1.00 0.00 H new ATOM 0 HA LEU A 97 -5.310 2.376 -1.987 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -6.339 0.849 -0.245 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.142 -0.358 -0.673 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.336 1.306 -0.097 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.942 3.251 1.315 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.634 3.387 -0.319 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.666 2.903 1.048 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.660 1.051 2.378 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.371 0.648 2.099 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.093 -0.443 1.513 1.00 0.00 H new ATOM 1559 N SER A 98 -3.957 -0.234 -3.456 1.00 0.00 N ATOM 1560 CA SER A 98 -2.880 -0.782 -4.272 1.00 0.00 C ATOM 1561 C SER A 98 -2.470 0.118 -5.450 1.00 0.00 C ATOM 1562 O SER A 98 -1.438 -0.131 -6.076 1.00 0.00 O ATOM 1563 CB SER A 98 -3.369 -2.134 -4.808 1.00 0.00 C ATOM 1564 OG SER A 98 -4.080 -2.833 -3.794 1.00 0.00 O ATOM 0 H SER A 98 -4.783 -0.833 -3.471 1.00 0.00 H new ATOM 0 HA SER A 98 -1.991 -0.872 -3.648 1.00 0.00 H new ATOM 0 HB2 SER A 98 -4.013 -1.979 -5.674 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.520 -2.729 -5.144 1.00 0.00 H new ATOM 0 HG SER A 98 -4.389 -3.694 -4.146 1.00 0.00 H new ATOM 1570 N ASP A 99 -3.256 1.155 -5.750 1.00 0.00 N ATOM 1571 CA ASP A 99 -3.062 2.051 -6.887 1.00 0.00 C ATOM 1572 C ASP A 99 -2.928 3.493 -6.383 1.00 0.00 C ATOM 1573 O ASP A 99 -2.921 4.425 -7.182 1.00 0.00 O ATOM 1574 CB ASP A 99 -4.239 1.931 -7.879 1.00 0.00 C ATOM 1575 CG ASP A 99 -4.228 0.691 -8.776 1.00 0.00 C ATOM 1576 OD1 ASP A 99 -3.963 -0.438 -8.306 1.00 0.00 O ATOM 1577 OD2 ASP A 99 -4.601 0.830 -9.962 1.00 0.00 O ATOM 0 H ASP A 99 -4.071 1.400 -5.188 1.00 0.00 H new ATOM 0 HA ASP A 99 -2.149 1.769 -7.412 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -5.170 1.938 -7.312 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -4.246 2.816 -8.515 1.00 0.00 H new ATOM 1582 N ILE A 100 -2.823 3.710 -5.070 1.00 0.00 N ATOM 1583 CA ILE A 100 -2.762 5.033 -4.461 1.00 0.00 C ATOM 1584 C ILE A 100 -1.386 5.217 -3.845 1.00 0.00 C ATOM 1585 O ILE A 100 -0.779 4.290 -3.305 1.00 0.00 O ATOM 1586 CB ILE A 100 -3.932 5.206 -3.459 1.00 0.00 C ATOM 1587 CG1 ILE A 100 -5.192 5.597 -4.259 1.00 0.00 C ATOM 1588 CG2 ILE A 100 -3.681 6.186 -2.292 1.00 0.00 C ATOM 1589 CD1 ILE A 100 -5.394 7.087 -4.533 1.00 0.00 C ATOM 0 H ILE A 100 -2.777 2.952 -4.389 1.00 0.00 H new ATOM 0 HA ILE A 100 -2.890 5.822 -5.202 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.056 4.248 -2.954 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.163 5.076 -5.216 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.065 5.228 -3.721 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -4.565 6.228 -1.656 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -2.828 5.843 -1.706 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.473 7.179 -2.689 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.313 7.231 -5.102 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.465 7.625 -3.587 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.549 7.470 -5.105 1.00 0.00 H new ATOM 1601 N GLU A 101 -0.928 6.459 -3.918 1.00 0.00 N ATOM 1602 CA GLU A 101 0.311 6.919 -3.313 1.00 0.00 C ATOM 1603 C GLU A 101 0.013 8.280 -2.684 1.00 0.00 C ATOM 1604 O GLU A 101 -0.362 9.216 -3.391 1.00 0.00 O ATOM 1605 CB GLU A 101 1.400 6.975 -4.396 1.00 0.00 C ATOM 1606 CG GLU A 101 2.785 7.274 -3.811 1.00 0.00 C ATOM 1607 CD GLU A 101 3.865 7.290 -4.907 1.00 0.00 C ATOM 1608 OE1 GLU A 101 4.120 6.235 -5.530 1.00 0.00 O ATOM 1609 OE2 GLU A 101 4.476 8.356 -5.147 1.00 0.00 O ATOM 0 H GLU A 101 -1.426 7.197 -4.416 1.00 0.00 H new ATOM 0 HA GLU A 101 0.682 6.251 -2.536 1.00 0.00 H new ATOM 0 HB2 GLU A 101 1.430 6.024 -4.928 1.00 0.00 H new ATOM 0 HB3 GLU A 101 1.143 7.741 -5.127 1.00 0.00 H new ATOM 0 HG2 GLU A 101 2.766 8.238 -3.302 1.00 0.00 H new ATOM 0 HG3 GLU A 101 3.035 6.523 -3.062 1.00 0.00 H new ATOM 1616 N ALA A 102 0.101 8.389 -1.356 1.00 0.00 N ATOM 1617 CA ALA A 102 -0.222 9.632 -0.666 1.00 0.00 C ATOM 1618 C ALA A 102 0.818 10.710 -0.974 1.00 0.00 C ATOM 1619 O ALA A 102 1.987 10.416 -1.239 1.00 0.00 O ATOM 1620 CB ALA A 102 -0.281 9.416 0.845 1.00 0.00 C ATOM 0 H ALA A 102 0.393 7.630 -0.741 1.00 0.00 H new ATOM 0 HA ALA A 102 -1.199 9.959 -1.022 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -0.524 10.357 1.338 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -1.048 8.677 1.077 1.00 0.00 H new ATOM 0 HB3 ALA A 102 0.686 9.059 1.200 1.00 0.00 H new ATOM 1626 N ILE A 103 0.387 11.963 -0.853 1.00 0.00 N ATOM 1627 CA ILE A 103 1.205 13.148 -1.061 1.00 0.00 C ATOM 1628 C ILE A 103 1.178 13.947 0.246 1.00 0.00 C ATOM 1629 O ILE A 103 0.109 14.213 0.797 1.00 0.00 O ATOM 1630 CB ILE A 103 0.656 13.955 -2.264 1.00 0.00 C ATOM 1631 CG1 ILE A 103 0.683 13.141 -3.582 1.00 0.00 C ATOM 1632 CG2 ILE A 103 1.449 15.260 -2.458 1.00 0.00 C ATOM 1633 CD1 ILE A 103 -0.181 13.760 -4.688 1.00 0.00 C ATOM 0 H ILE A 103 -0.575 12.186 -0.598 1.00 0.00 H new ATOM 0 HA ILE A 103 2.237 12.896 -1.304 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.383 14.188 -2.030 1.00 0.00 H new ATOM 0 HG12 ILE A 103 1.712 13.063 -3.933 1.00 0.00 H new ATOM 0 HG13 ILE A 103 0.337 12.127 -3.383 1.00 0.00 H new ATOM 0 HG21 ILE A 103 1.044 15.809 -3.309 1.00 0.00 H new ATOM 0 HG22 ILE A 103 1.368 15.872 -1.560 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.497 15.025 -2.643 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -0.120 13.144 -5.585 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.217 13.813 -4.354 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.180 14.764 -4.912 1.00 0.00 H new ATOM 1645 N ASP A 104 2.370 14.354 0.699 1.00 0.00 N ATOM 1646 CA ASP A 104 2.600 15.248 1.839 1.00 0.00 C ATOM 1647 C ASP A 104 1.798 14.853 3.092 1.00 0.00 C ATOM 1648 O ASP A 104 1.220 15.698 3.780 1.00 0.00 O ATOM 1649 CB ASP A 104 2.398 16.709 1.404 1.00 0.00 C ATOM 1650 CG ASP A 104 2.830 17.718 2.485 1.00 0.00 C ATOM 1651 OD1 ASP A 104 3.925 17.562 3.074 1.00 0.00 O ATOM 1652 OD2 ASP A 104 2.108 18.717 2.711 1.00 0.00 O ATOM 0 H ASP A 104 3.241 14.055 0.260 1.00 0.00 H new ATOM 0 HA ASP A 104 3.638 15.140 2.154 1.00 0.00 H new ATOM 0 HB2 ASP A 104 2.967 16.894 0.493 1.00 0.00 H new ATOM 0 HB3 ASP A 104 1.347 16.870 1.162 1.00 0.00 H new ATOM 1657 N VAL A 105 1.728 13.546 3.369 1.00 0.00 N ATOM 1658 CA VAL A 105 0.950 12.996 4.482 1.00 0.00 C ATOM 1659 C VAL A 105 1.867 12.639 5.665 1.00 0.00 C ATOM 1660 O VAL A 105 3.096 12.696 5.547 1.00 0.00 O ATOM 1661 CB VAL A 105 0.062 11.843 3.963 1.00 0.00 C ATOM 1662 CG1 VAL A 105 0.759 10.475 3.917 1.00 0.00 C ATOM 1663 CG2 VAL A 105 -1.254 11.774 4.741 1.00 0.00 C ATOM 0 H VAL A 105 2.214 12.836 2.822 1.00 0.00 H new ATOM 0 HA VAL A 105 0.266 13.742 4.887 1.00 0.00 H new ATOM 0 HB VAL A 105 -0.153 12.085 2.922 1.00 0.00 H new ATOM 0 HG11 VAL A 105 0.063 9.725 3.541 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.625 10.530 3.257 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.084 10.198 4.920 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.861 10.954 4.357 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -1.044 11.606 5.797 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.796 12.713 4.624 1.00 0.00 H new ATOM 1673 N ASP A 106 1.277 12.303 6.818 1.00 0.00 N ATOM 1674 CA ASP A 106 2.035 11.963 8.024 1.00 0.00 C ATOM 1675 C ASP A 106 2.580 10.538 7.933 1.00 0.00 C ATOM 1676 O ASP A 106 2.114 9.718 7.140 1.00 0.00 O ATOM 1677 CB ASP A 106 1.170 12.102 9.284 1.00 0.00 C ATOM 1678 CG ASP A 106 1.969 12.137 10.601 1.00 0.00 C ATOM 1679 OD1 ASP A 106 3.190 12.413 10.587 1.00 0.00 O ATOM 1680 OD2 ASP A 106 1.366 11.899 11.671 1.00 0.00 O ATOM 0 H ASP A 106 0.265 12.260 6.940 1.00 0.00 H new ATOM 0 HA ASP A 106 2.867 12.663 8.095 1.00 0.00 H new ATOM 0 HB2 ASP A 106 0.580 13.015 9.206 1.00 0.00 H new ATOM 0 HB3 ASP A 106 0.467 11.270 9.321 1.00 0.00 H new ATOM 1685 N ASP A 107 3.540 10.240 8.799 1.00 0.00 N ATOM 1686 CA ASP A 107 4.334 9.012 8.801 1.00 0.00 C ATOM 1687 C ASP A 107 3.462 7.768 8.892 1.00 0.00 C ATOM 1688 O ASP A 107 3.708 6.816 8.161 1.00 0.00 O ATOM 1689 CB ASP A 107 5.332 9.042 9.962 1.00 0.00 C ATOM 1690 CG ASP A 107 6.153 7.743 10.023 1.00 0.00 C ATOM 1691 OD1 ASP A 107 7.076 7.569 9.196 1.00 0.00 O ATOM 1692 OD2 ASP A 107 5.918 6.918 10.934 1.00 0.00 O ATOM 0 H ASP A 107 3.800 10.874 9.554 1.00 0.00 H new ATOM 0 HA ASP A 107 4.872 8.963 7.854 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.002 9.894 9.847 1.00 0.00 H new ATOM 0 HB3 ASP A 107 4.797 9.182 10.901 1.00 0.00 H new ATOM 1697 N ASP A 108 2.424 7.780 9.734 1.00 0.00 N ATOM 1698 CA ASP A 108 1.554 6.619 9.909 1.00 0.00 C ATOM 1699 C ASP A 108 0.744 6.363 8.638 1.00 0.00 C ATOM 1700 O ASP A 108 0.691 5.232 8.157 1.00 0.00 O ATOM 1701 CB ASP A 108 0.610 6.803 11.107 1.00 0.00 C ATOM 1702 CG ASP A 108 1.308 6.556 12.452 1.00 0.00 C ATOM 1703 OD1 ASP A 108 1.583 5.383 12.791 1.00 0.00 O ATOM 1704 OD2 ASP A 108 1.566 7.532 13.192 1.00 0.00 O ATOM 0 H ASP A 108 2.167 8.585 10.306 1.00 0.00 H new ATOM 0 HA ASP A 108 2.189 5.755 10.107 1.00 0.00 H new ATOM 0 HB2 ASP A 108 0.204 7.814 11.093 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -0.233 6.120 11.009 1.00 0.00 H new ATOM 1709 N THR A 109 0.144 7.403 8.052 1.00 0.00 N ATOM 1710 CA THR A 109 -0.659 7.259 6.840 1.00 0.00 C ATOM 1711 C THR A 109 0.239 6.782 5.691 1.00 0.00 C ATOM 1712 O THR A 109 -0.128 5.852 4.966 1.00 0.00 O ATOM 1713 CB THR A 109 -1.392 8.588 6.561 1.00 0.00 C ATOM 1714 OG1 THR A 109 -2.172 8.950 7.693 1.00 0.00 O ATOM 1715 CG2 THR A 109 -2.388 8.521 5.407 1.00 0.00 C ATOM 0 H THR A 109 0.202 8.359 8.402 1.00 0.00 H new ATOM 0 HA THR A 109 -1.432 6.499 6.957 1.00 0.00 H new ATOM 0 HB THR A 109 -0.600 9.297 6.320 1.00 0.00 H new ATOM 0 HG1 THR A 109 -2.635 9.795 7.514 1.00 0.00 H new ATOM 0 HG21 THR A 109 -2.860 9.495 5.277 1.00 0.00 H new ATOM 0 HG22 THR A 109 -1.866 8.245 4.491 1.00 0.00 H new ATOM 0 HG23 THR A 109 -3.151 7.775 5.628 1.00 0.00 H new ATOM 1723 N GLN A 110 1.444 7.349 5.570 1.00 0.00 N ATOM 1724 CA GLN A 110 2.412 6.939 4.568 1.00 0.00 C ATOM 1725 C GLN A 110 2.797 5.471 4.792 1.00 0.00 C ATOM 1726 O GLN A 110 2.795 4.694 3.841 1.00 0.00 O ATOM 1727 CB GLN A 110 3.627 7.887 4.613 1.00 0.00 C ATOM 1728 CG GLN A 110 4.353 8.015 3.265 1.00 0.00 C ATOM 1729 CD GLN A 110 4.979 6.707 2.780 1.00 0.00 C ATOM 1730 OE1 GLN A 110 5.870 6.149 3.417 1.00 0.00 O ATOM 1731 NE2 GLN A 110 4.529 6.188 1.648 1.00 0.00 N ATOM 0 H GLN A 110 1.769 8.107 6.170 1.00 0.00 H new ATOM 0 HA GLN A 110 1.982 7.008 3.569 1.00 0.00 H new ATOM 0 HB2 GLN A 110 3.296 8.875 4.934 1.00 0.00 H new ATOM 0 HB3 GLN A 110 4.331 7.528 5.363 1.00 0.00 H new ATOM 0 HG2 GLN A 110 3.647 8.371 2.514 1.00 0.00 H new ATOM 0 HG3 GLN A 110 5.133 8.771 3.352 1.00 0.00 H new ATOM 0 HE21 GLN A 110 3.789 6.661 1.129 1.00 0.00 H new ATOM 0 HE22 GLN A 110 4.922 5.315 1.295 1.00 0.00 H new ATOM 1740 N GLU A 111 3.071 5.067 6.036 1.00 0.00 N ATOM 1741 CA GLU A 111 3.460 3.705 6.375 1.00 0.00 C ATOM 1742 C GLU A 111 2.380 2.706 6.009 1.00 0.00 C ATOM 1743 O GLU A 111 2.703 1.677 5.432 1.00 0.00 O ATOM 1744 CB GLU A 111 3.774 3.576 7.873 1.00 0.00 C ATOM 1745 CG GLU A 111 5.268 3.767 8.133 1.00 0.00 C ATOM 1746 CD GLU A 111 6.108 2.573 7.620 1.00 0.00 C ATOM 1747 OE1 GLU A 111 5.738 1.399 7.839 1.00 0.00 O ATOM 1748 OE2 GLU A 111 7.170 2.774 6.991 1.00 0.00 O ATOM 0 H GLU A 111 3.027 5.689 6.843 1.00 0.00 H new ATOM 0 HA GLU A 111 4.356 3.483 5.796 1.00 0.00 H new ATOM 0 HB2 GLU A 111 3.205 4.318 8.434 1.00 0.00 H new ATOM 0 HB3 GLU A 111 3.460 2.596 8.232 1.00 0.00 H new ATOM 0 HG2 GLU A 111 5.606 4.682 7.647 1.00 0.00 H new ATOM 0 HG3 GLU A 111 5.436 3.894 9.203 1.00 0.00 H new ATOM 1755 N ALA A 112 1.116 3.003 6.305 1.00 0.00 N ATOM 1756 CA ALA A 112 0.012 2.108 5.970 1.00 0.00 C ATOM 1757 C ALA A 112 -0.003 1.806 4.467 1.00 0.00 C ATOM 1758 O ALA A 112 -0.164 0.656 4.057 1.00 0.00 O ATOM 1759 CB ALA A 112 -1.313 2.743 6.394 1.00 0.00 C ATOM 0 H ALA A 112 0.831 3.861 6.778 1.00 0.00 H new ATOM 0 HA ALA A 112 0.148 1.168 6.505 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -2.135 2.072 6.143 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.304 2.919 7.470 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -1.446 3.691 5.872 1.00 0.00 H new ATOM 1765 N ILE A 113 0.179 2.846 3.653 1.00 0.00 N ATOM 1766 CA ILE A 113 0.152 2.746 2.202 1.00 0.00 C ATOM 1767 C ILE A 113 1.400 2.001 1.716 1.00 0.00 C ATOM 1768 O ILE A 113 1.282 1.039 0.958 1.00 0.00 O ATOM 1769 CB ILE A 113 0.013 4.174 1.635 1.00 0.00 C ATOM 1770 CG1 ILE A 113 -1.398 4.702 1.978 1.00 0.00 C ATOM 1771 CG2 ILE A 113 0.263 4.241 0.121 1.00 0.00 C ATOM 1772 CD1 ILE A 113 -1.500 6.222 1.948 1.00 0.00 C ATOM 0 H ILE A 113 0.351 3.792 3.992 1.00 0.00 H new ATOM 0 HA ILE A 113 -0.698 2.165 1.844 1.00 0.00 H new ATOM 0 HB ILE A 113 0.778 4.800 2.094 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -2.116 4.283 1.273 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -1.680 4.346 2.969 1.00 0.00 H new ATOM 0 HG21 ILE A 113 0.151 5.270 -0.221 1.00 0.00 H new ATOM 0 HG22 ILE A 113 1.273 3.894 -0.097 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -0.458 3.607 -0.395 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -2.517 6.523 2.198 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.807 6.648 2.673 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -1.249 6.584 0.951 1.00 0.00 H new ATOM 1784 N ALA A 114 2.587 2.411 2.167 1.00 0.00 N ATOM 1785 CA ALA A 114 3.849 1.806 1.770 1.00 0.00 C ATOM 1786 C ALA A 114 3.872 0.319 2.125 1.00 0.00 C ATOM 1787 O ALA A 114 4.168 -0.517 1.276 1.00 0.00 O ATOM 1788 CB ALA A 114 4.998 2.537 2.469 1.00 0.00 C ATOM 0 H ALA A 114 2.695 3.182 2.826 1.00 0.00 H new ATOM 0 HA ALA A 114 3.963 1.895 0.690 1.00 0.00 H new ATOM 0 HB1 ALA A 114 5.947 2.088 2.175 1.00 0.00 H new ATOM 0 HB2 ALA A 114 4.989 3.588 2.181 1.00 0.00 H new ATOM 0 HB3 ALA A 114 4.877 2.456 3.549 1.00 0.00 H new ATOM 1794 N ASP A 115 3.511 -0.010 3.364 1.00 0.00 N ATOM 1795 CA ASP A 115 3.501 -1.374 3.882 1.00 0.00 C ATOM 1796 C ASP A 115 2.555 -2.259 3.074 1.00 0.00 C ATOM 1797 O ASP A 115 2.910 -3.388 2.729 1.00 0.00 O ATOM 1798 CB ASP A 115 3.088 -1.370 5.356 1.00 0.00 C ATOM 1799 CG ASP A 115 3.236 -2.761 5.977 1.00 0.00 C ATOM 1800 OD1 ASP A 115 4.368 -3.084 6.404 1.00 0.00 O ATOM 1801 OD2 ASP A 115 2.226 -3.488 6.083 1.00 0.00 O ATOM 0 H ASP A 115 3.211 0.682 4.051 1.00 0.00 H new ATOM 0 HA ASP A 115 4.508 -1.782 3.792 1.00 0.00 H new ATOM 0 HB2 ASP A 115 3.701 -0.656 5.906 1.00 0.00 H new ATOM 0 HB3 ASP A 115 2.054 -1.037 5.446 1.00 0.00 H new ATOM 1806 N TRP A 116 1.388 -1.717 2.706 1.00 0.00 N ATOM 1807 CA TRP A 116 0.439 -2.413 1.850 1.00 0.00 C ATOM 1808 C TRP A 116 1.054 -2.671 0.475 1.00 0.00 C ATOM 1809 O TRP A 116 0.959 -3.787 -0.029 1.00 0.00 O ATOM 1810 CB TRP A 116 -0.876 -1.628 1.719 1.00 0.00 C ATOM 1811 CG TRP A 116 -1.853 -2.264 0.776 1.00 0.00 C ATOM 1812 CD1 TRP A 116 -2.187 -1.805 -0.454 1.00 0.00 C ATOM 1813 CD2 TRP A 116 -2.542 -3.543 0.921 1.00 0.00 C ATOM 1814 NE1 TRP A 116 -3.017 -2.714 -1.079 1.00 0.00 N ATOM 1815 CE2 TRP A 116 -3.237 -3.824 -0.293 1.00 0.00 C ATOM 1816 CE3 TRP A 116 -2.618 -4.514 1.943 1.00 0.00 C ATOM 1817 CZ2 TRP A 116 -3.936 -5.023 -0.494 1.00 0.00 C ATOM 1818 CZ3 TRP A 116 -3.343 -5.707 1.762 1.00 0.00 C ATOM 1819 CH2 TRP A 116 -3.986 -5.972 0.540 1.00 0.00 C ATOM 0 H TRP A 116 1.082 -0.788 2.995 1.00 0.00 H new ATOM 0 HA TRP A 116 0.206 -3.372 2.314 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -1.337 -1.537 2.703 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -0.655 -0.617 1.376 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -1.855 -0.870 -0.881 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -3.418 -2.580 -2.007 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -2.111 -4.338 2.880 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -4.431 -5.215 -1.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -3.406 -6.424 2.567 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -4.516 -6.902 0.397 1.00 0.00 H new ATOM 1830 N LEU A 117 1.707 -1.674 -0.129 1.00 0.00 N ATOM 1831 CA LEU A 117 2.316 -1.814 -1.450 1.00 0.00 C ATOM 1832 C LEU A 117 3.463 -2.829 -1.423 1.00 0.00 C ATOM 1833 O LEU A 117 3.628 -3.582 -2.383 1.00 0.00 O ATOM 1834 CB LEU A 117 2.805 -0.448 -1.964 1.00 0.00 C ATOM 1835 CG LEU A 117 1.666 0.525 -2.337 1.00 0.00 C ATOM 1836 CD1 LEU A 117 2.228 1.939 -2.514 1.00 0.00 C ATOM 1837 CD2 LEU A 117 0.937 0.103 -3.619 1.00 0.00 C ATOM 0 H LEU A 117 1.827 -0.750 0.285 1.00 0.00 H new ATOM 0 HA LEU A 117 1.557 -2.189 -2.137 1.00 0.00 H new ATOM 0 HB2 LEU A 117 3.429 0.015 -1.199 1.00 0.00 H new ATOM 0 HB3 LEU A 117 3.436 -0.605 -2.839 1.00 0.00 H new ATOM 0 HG LEU A 117 0.943 0.505 -1.522 1.00 0.00 H new ATOM 0 HD11 LEU A 117 1.420 2.621 -2.777 1.00 0.00 H new ATOM 0 HD12 LEU A 117 2.690 2.266 -1.583 1.00 0.00 H new ATOM 0 HD13 LEU A 117 2.974 1.937 -3.308 1.00 0.00 H new ATOM 0 HD21 LEU A 117 0.145 0.819 -3.839 1.00 0.00 H new ATOM 0 HD22 LEU A 117 1.644 0.078 -4.448 1.00 0.00 H new ATOM 0 HD23 LEU A 117 0.503 -0.887 -3.482 1.00 0.00 H new ATOM 1849 N TYR A 118 4.236 -2.898 -0.335 1.00 0.00 N ATOM 1850 CA TYR A 118 5.285 -3.901 -0.193 1.00 0.00 C ATOM 1851 C TYR A 118 4.660 -5.293 -0.124 1.00 0.00 C ATOM 1852 O TYR A 118 5.056 -6.182 -0.872 1.00 0.00 O ATOM 1853 CB TYR A 118 6.147 -3.631 1.052 1.00 0.00 C ATOM 1854 CG TYR A 118 6.769 -2.248 1.175 1.00 0.00 C ATOM 1855 CD1 TYR A 118 7.164 -1.510 0.039 1.00 0.00 C ATOM 1856 CD2 TYR A 118 6.949 -1.692 2.456 1.00 0.00 C ATOM 1857 CE1 TYR A 118 7.748 -0.239 0.184 1.00 0.00 C ATOM 1858 CE2 TYR A 118 7.501 -0.409 2.608 1.00 0.00 C ATOM 1859 CZ TYR A 118 7.929 0.315 1.471 1.00 0.00 C ATOM 1860 OH TYR A 118 8.511 1.541 1.597 1.00 0.00 O ATOM 0 H TYR A 118 4.151 -2.266 0.461 1.00 0.00 H new ATOM 0 HA TYR A 118 5.938 -3.846 -1.064 1.00 0.00 H new ATOM 0 HB2 TYR A 118 5.531 -3.805 1.934 1.00 0.00 H new ATOM 0 HB3 TYR A 118 6.951 -4.367 1.074 1.00 0.00 H new ATOM 0 HD1 TYR A 118 7.017 -1.924 -0.948 1.00 0.00 H new ATOM 0 HD2 TYR A 118 6.660 -2.257 3.330 1.00 0.00 H new ATOM 0 HE1 TYR A 118 8.059 0.314 -0.690 1.00 0.00 H new ATOM 0 HE2 TYR A 118 7.598 0.024 3.593 1.00 0.00 H new ATOM 0 HH TYR A 118 8.563 1.783 2.545 1.00 0.00 H new ATOM 1870 N TRP A 119 3.651 -5.482 0.728 1.00 0.00 N ATOM 1871 CA TRP A 119 2.931 -6.741 0.884 1.00 0.00 C ATOM 1872 C TRP A 119 2.293 -7.179 -0.440 1.00 0.00 C ATOM 1873 O TRP A 119 2.353 -8.359 -0.799 1.00 0.00 O ATOM 1874 CB TRP A 119 1.898 -6.529 1.994 1.00 0.00 C ATOM 1875 CG TRP A 119 0.824 -7.555 2.148 1.00 0.00 C ATOM 1876 CD1 TRP A 119 -0.416 -7.456 1.623 1.00 0.00 C ATOM 1877 CD2 TRP A 119 0.844 -8.810 2.893 1.00 0.00 C ATOM 1878 NE1 TRP A 119 -1.186 -8.516 2.048 1.00 0.00 N ATOM 1879 CE2 TRP A 119 -0.465 -9.380 2.848 1.00 0.00 C ATOM 1880 CE3 TRP A 119 1.829 -9.516 3.616 1.00 0.00 C ATOM 1881 CZ2 TRP A 119 -0.779 -10.581 3.506 1.00 0.00 C ATOM 1882 CZ3 TRP A 119 1.524 -10.720 4.280 1.00 0.00 C ATOM 1883 CH2 TRP A 119 0.222 -11.250 4.231 1.00 0.00 C ATOM 0 H TRP A 119 3.306 -4.744 1.342 1.00 0.00 H new ATOM 0 HA TRP A 119 3.606 -7.551 1.161 1.00 0.00 H new ATOM 0 HB2 TRP A 119 2.433 -6.459 2.941 1.00 0.00 H new ATOM 0 HB3 TRP A 119 1.419 -5.564 1.826 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -0.753 -6.665 0.969 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -2.167 -8.647 1.802 1.00 0.00 H new ATOM 0 HE3 TRP A 119 2.835 -9.126 3.661 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -1.779 -10.986 3.455 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 2.295 -11.240 4.830 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -0.008 -12.169 4.749 1.00 0.00 H new ATOM 1894 N LEU A 120 1.749 -6.218 -1.194 1.00 0.00 N ATOM 1895 CA LEU A 120 1.161 -6.438 -2.504 1.00 0.00 C ATOM 1896 C LEU A 120 2.186 -7.103 -3.427 1.00 0.00 C ATOM 1897 O LEU A 120 1.894 -8.126 -4.045 1.00 0.00 O ATOM 1898 CB LEU A 120 0.704 -5.092 -3.099 1.00 0.00 C ATOM 1899 CG LEU A 120 -0.242 -5.256 -4.299 1.00 0.00 C ATOM 1900 CD1 LEU A 120 -1.689 -5.323 -3.804 1.00 0.00 C ATOM 1901 CD2 LEU A 120 -0.085 -4.077 -5.265 1.00 0.00 C ATOM 0 H LEU A 120 1.708 -5.244 -0.895 1.00 0.00 H new ATOM 0 HA LEU A 120 0.296 -7.095 -2.407 1.00 0.00 H new ATOM 0 HB2 LEU A 120 0.203 -4.510 -2.325 1.00 0.00 H new ATOM 0 HB3 LEU A 120 1.580 -4.522 -3.409 1.00 0.00 H new ATOM 0 HG LEU A 120 0.010 -6.178 -4.824 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -2.360 -5.439 -4.655 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -1.805 -6.173 -3.132 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -1.934 -4.404 -3.272 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -0.761 -4.207 -6.110 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -0.325 -3.148 -4.747 1.00 0.00 H new ATOM 0 HD23 LEU A 120 0.943 -4.036 -5.626 1.00 0.00 H new ATOM 1913 N ALA A 121 3.396 -6.534 -3.494 1.00 0.00 N ATOM 1914 CA ALA A 121 4.464 -7.028 -4.351 1.00 0.00 C ATOM 1915 C ALA A 121 5.042 -8.351 -3.841 1.00 0.00 C ATOM 1916 O ALA A 121 5.370 -9.222 -4.646 1.00 0.00 O ATOM 1917 CB ALA A 121 5.569 -5.968 -4.441 1.00 0.00 C ATOM 0 H ALA A 121 3.656 -5.712 -2.948 1.00 0.00 H new ATOM 0 HA ALA A 121 4.047 -7.219 -5.340 1.00 0.00 H new ATOM 0 HB1 ALA A 121 6.372 -6.333 -5.082 1.00 0.00 H new ATOM 0 HB2 ALA A 121 5.159 -5.049 -4.861 1.00 0.00 H new ATOM 0 HB3 ALA A 121 5.963 -5.767 -3.445 1.00 0.00 H new ATOM 1923 N ARG A 122 5.171 -8.514 -2.517 1.00 0.00 N ATOM 1924 CA ARG A 122 5.820 -9.677 -1.896 1.00 0.00 C ATOM 1925 C ARG A 122 5.072 -10.984 -2.167 1.00 0.00 C ATOM 1926 O ARG A 122 5.674 -12.047 -2.013 1.00 0.00 O ATOM 1927 CB ARG A 122 6.033 -9.435 -0.388 1.00 0.00 C ATOM 1928 CG ARG A 122 7.224 -8.511 -0.116 1.00 0.00 C ATOM 1929 CD ARG A 122 7.373 -8.086 1.353 1.00 0.00 C ATOM 1930 NE ARG A 122 7.923 -9.155 2.212 1.00 0.00 N ATOM 1931 CZ ARG A 122 8.932 -9.031 3.088 1.00 0.00 C ATOM 1932 NH1 ARG A 122 9.644 -7.915 3.210 1.00 0.00 N ATOM 1933 NH2 ARG A 122 9.272 -10.048 3.860 1.00 0.00 N ATOM 0 H ARG A 122 4.824 -7.835 -1.840 1.00 0.00 H new ATOM 0 HA ARG A 122 6.798 -9.793 -2.363 1.00 0.00 H new ATOM 0 HB2 ARG A 122 5.131 -8.998 0.040 1.00 0.00 H new ATOM 0 HB3 ARG A 122 6.193 -10.390 0.113 1.00 0.00 H new ATOM 0 HG2 ARG A 122 8.138 -9.014 -0.431 1.00 0.00 H new ATOM 0 HG3 ARG A 122 7.124 -7.617 -0.732 1.00 0.00 H new ATOM 0 HD2 ARG A 122 8.023 -7.213 1.408 1.00 0.00 H new ATOM 0 HD3 ARG A 122 6.399 -7.783 1.738 1.00 0.00 H new ATOM 0 HE ARG A 122 7.494 -10.077 2.131 1.00 0.00 H new ATOM 0 HH11 ARG A 122 9.432 -7.108 2.624 1.00 0.00 H new ATOM 0 HH12 ARG A 122 10.403 -7.866 3.890 1.00 0.00 H new ATOM 0 HH21 ARG A 122 8.767 -10.932 3.791 1.00 0.00 H new ATOM 0 HH22 ARG A 122 10.040 -9.950 4.525 1.00 0.00 H new