USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 417 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 33 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 35 GLN : amide:sc= -0.0508 X(o=-0.051,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -40:sc= 0.474 USER MOD Single : A 24 LYS NZ :NH3+ 157:sc= -0.0393 (180deg=-0.269) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0.0408 USER MOD Single : A 38 GLN : amide:sc= -0.311 X(o=-0.31,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -136:sc= 0.761 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 150:sc= -0.0781 (180deg=-0.561) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 268 N VAL A 18 15.020 -2.847 5.215 1.00 0.00 N ATOM 269 CA VAL A 18 15.032 -2.024 6.426 1.00 0.00 C ATOM 270 C VAL A 18 15.551 -2.801 7.636 1.00 0.00 C ATOM 271 O VAL A 18 16.144 -3.871 7.491 1.00 0.00 O ATOM 272 CB VAL A 18 13.630 -1.447 6.737 1.00 0.00 C ATOM 273 CG1 VAL A 18 12.982 -0.915 5.468 1.00 0.00 C ATOM 274 CG2 VAL A 18 12.736 -2.486 7.400 1.00 0.00 C ATOM 0 HA VAL A 18 15.714 -1.196 6.230 1.00 0.00 H new ATOM 0 HB VAL A 18 13.755 -0.622 7.438 1.00 0.00 H new ATOM 0 HG11 VAL A 18 11.997 -0.513 5.704 1.00 0.00 H new ATOM 0 HG12 VAL A 18 13.604 -0.126 5.045 1.00 0.00 H new ATOM 0 HG13 VAL A 18 12.880 -1.724 4.745 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.759 -2.048 7.605 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.618 -3.342 6.735 1.00 0.00 H new ATOM 0 HG23 VAL A 18 13.190 -2.813 8.335 1.00 0.00 H new ATOM 284 N SER A 19 15.330 -2.255 8.830 1.00 0.00 N ATOM 285 CA SER A 19 15.777 -2.901 10.061 1.00 0.00 C ATOM 286 C SER A 19 15.204 -4.309 10.164 1.00 0.00 C ATOM 287 O SER A 19 13.989 -4.500 10.099 1.00 0.00 O ATOM 288 CB SER A 19 15.359 -2.074 11.278 1.00 0.00 C ATOM 289 OG SER A 19 15.433 -2.842 12.467 1.00 0.00 O ATOM 0 H SER A 19 14.845 -1.369 8.971 1.00 0.00 H new ATOM 0 HA SER A 19 16.865 -2.968 10.038 1.00 0.00 H new ATOM 0 HB2 SER A 19 16.003 -1.199 11.366 1.00 0.00 H new ATOM 0 HB3 SER A 19 14.342 -1.708 11.141 1.00 0.00 H new ATOM 0 HG SER A 19 15.162 -2.290 13.230 1.00 0.00 H new ATOM 295 N PHE A 20 16.084 -5.294 10.315 1.00 0.00 N ATOM 296 CA PHE A 20 15.657 -6.684 10.413 1.00 0.00 C ATOM 297 C PHE A 20 15.399 -7.087 11.859 1.00 0.00 C ATOM 298 O PHE A 20 15.793 -6.385 12.791 1.00 0.00 O ATOM 299 CB PHE A 20 16.702 -7.608 9.789 1.00 0.00 C ATOM 300 CG PHE A 20 16.467 -7.877 8.328 1.00 0.00 C ATOM 301 CD1 PHE A 20 15.180 -7.911 7.810 1.00 0.00 C ATOM 302 CD2 PHE A 20 17.534 -8.098 7.476 1.00 0.00 C ATOM 303 CE1 PHE A 20 14.966 -8.160 6.470 1.00 0.00 C ATOM 304 CE2 PHE A 20 17.326 -8.346 6.134 1.00 0.00 C ATOM 305 CZ PHE A 20 16.040 -8.377 5.629 1.00 0.00 C ATOM 0 H PHE A 20 17.093 -5.156 10.372 1.00 0.00 H new ATOM 0 HA PHE A 20 14.721 -6.782 9.864 1.00 0.00 H new ATOM 0 HB2 PHE A 20 17.690 -7.164 9.915 1.00 0.00 H new ATOM 0 HB3 PHE A 20 16.707 -8.555 10.329 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.337 -7.741 8.463 1.00 0.00 H new ATOM 0 HD2 PHE A 20 18.541 -8.076 7.865 1.00 0.00 H new ATOM 0 HE1 PHE A 20 13.960 -8.185 6.079 1.00 0.00 H new ATOM 0 HE2 PHE A 20 18.168 -8.516 5.479 1.00 0.00 H new ATOM 0 HZ PHE A 20 15.875 -8.570 4.579 1.00 0.00 H new ATOM 315 N THR A 21 14.730 -8.224 12.035 1.00 0.00 N ATOM 316 CA THR A 21 14.408 -8.728 13.367 1.00 0.00 C ATOM 317 C THR A 21 14.255 -10.245 13.361 1.00 0.00 C ATOM 318 O THR A 21 14.194 -10.869 12.302 1.00 0.00 O ATOM 319 CB THR A 21 13.105 -8.104 13.906 1.00 0.00 C ATOM 320 OG1 THR A 21 12.118 -8.057 12.869 1.00 0.00 O ATOM 321 CG2 THR A 21 13.352 -6.701 14.440 1.00 0.00 C ATOM 0 H THR A 21 14.400 -8.814 11.271 1.00 0.00 H new ATOM 0 HA THR A 21 15.238 -8.447 14.016 1.00 0.00 H new ATOM 0 HB THR A 21 12.744 -8.727 14.724 1.00 0.00 H new ATOM 0 HG1 THR A 21 12.543 -7.802 12.024 1.00 0.00 H new ATOM 0 HG21 THR A 21 12.417 -6.284 14.814 1.00 0.00 H new ATOM 0 HG22 THR A 21 14.080 -6.743 15.250 1.00 0.00 H new ATOM 0 HG23 THR A 21 13.736 -6.069 13.639 1.00 0.00 H new ATOM 329 N GLY A 22 14.190 -10.831 14.553 1.00 0.00 N ATOM 330 CA GLY A 22 14.039 -12.271 14.665 1.00 0.00 C ATOM 331 C GLY A 22 15.343 -13.014 14.448 1.00 0.00 C ATOM 332 O GLY A 22 15.583 -14.052 15.066 1.00 0.00 O ATOM 0 H GLY A 22 14.239 -10.335 15.443 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.646 -12.515 15.652 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.305 -12.613 13.936 1.00 0.00 H new ATOM 336 N GLY A 23 16.187 -12.484 13.568 1.00 0.00 N ATOM 337 CA GLY A 23 17.460 -13.119 13.287 1.00 0.00 C ATOM 338 C GLY A 23 18.455 -12.949 14.417 1.00 0.00 C ATOM 339 O GLY A 23 18.316 -12.050 15.246 1.00 0.00 O ATOM 0 H GLY A 23 16.011 -11.626 13.045 1.00 0.00 H new ATOM 0 HA2 GLY A 23 17.300 -14.182 13.105 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.878 -12.698 12.373 1.00 0.00 H new ATOM 343 N LYS A 24 19.462 -13.815 14.449 1.00 0.00 N ATOM 344 CA LYS A 24 20.488 -13.758 15.484 1.00 0.00 C ATOM 345 C LYS A 24 21.708 -12.985 14.996 1.00 0.00 C ATOM 346 O LYS A 24 22.696 -13.576 14.557 1.00 0.00 O ATOM 347 CB LYS A 24 20.897 -15.170 15.905 1.00 0.00 C ATOM 348 CG LYS A 24 20.253 -15.628 17.204 1.00 0.00 C ATOM 349 CD LYS A 24 21.126 -15.300 18.405 1.00 0.00 C ATOM 350 CE LYS A 24 21.385 -16.529 19.259 1.00 0.00 C ATOM 351 NZ LYS A 24 22.149 -17.570 18.517 1.00 0.00 N ATOM 0 H LYS A 24 19.590 -14.565 13.770 1.00 0.00 H new ATOM 0 HA LYS A 24 20.072 -13.237 16.346 1.00 0.00 H new ATOM 0 HB2 LYS A 24 20.631 -15.868 15.111 1.00 0.00 H new ATOM 0 HB3 LYS A 24 21.981 -15.208 16.013 1.00 0.00 H new ATOM 0 HG2 LYS A 24 19.281 -15.149 17.318 1.00 0.00 H new ATOM 0 HG3 LYS A 24 20.076 -16.703 17.164 1.00 0.00 H new ATOM 0 HD2 LYS A 24 22.075 -14.887 18.064 1.00 0.00 H new ATOM 0 HD3 LYS A 24 20.642 -14.532 19.009 1.00 0.00 H new ATOM 0 HE2 LYS A 24 21.939 -16.240 20.152 1.00 0.00 H new ATOM 0 HE3 LYS A 24 20.435 -16.945 19.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 22.636 -18.192 19.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 21.495 -18.134 17.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 22.851 -17.112 17.901 1.00 0.00 H new ATOM 365 N ALA A 25 21.630 -11.659 15.071 1.00 0.00 N ATOM 366 CA ALA A 25 22.726 -10.801 14.638 1.00 0.00 C ATOM 367 C ALA A 25 24.034 -11.188 15.319 1.00 0.00 C ATOM 368 O ALA A 25 24.075 -11.393 16.532 1.00 0.00 O ATOM 369 CB ALA A 25 22.396 -9.343 14.921 1.00 0.00 C ATOM 0 H ALA A 25 20.818 -11.156 15.428 1.00 0.00 H new ATOM 0 HA ALA A 25 22.854 -10.935 13.564 1.00 0.00 H new ATOM 0 HB1 ALA A 25 23.223 -8.713 14.593 1.00 0.00 H new ATOM 0 HB2 ALA A 25 21.491 -9.064 14.382 1.00 0.00 H new ATOM 0 HB3 ALA A 25 22.238 -9.207 15.991 1.00 0.00 H new ATOM 375 N ILE A 26 25.099 -11.280 14.531 1.00 0.00 N ATOM 376 CA ILE A 26 26.410 -11.635 15.061 1.00 0.00 C ATOM 377 C ILE A 26 27.123 -10.401 15.596 1.00 0.00 C ATOM 378 O ILE A 26 28.007 -10.496 16.448 1.00 0.00 O ATOM 379 CB ILE A 26 27.295 -12.302 13.989 1.00 0.00 C ATOM 380 CG1 ILE A 26 27.572 -11.326 12.843 1.00 0.00 C ATOM 381 CG2 ILE A 26 26.632 -13.568 13.467 1.00 0.00 C ATOM 382 CD1 ILE A 26 28.994 -10.813 12.812 1.00 0.00 C ATOM 0 H ILE A 26 25.081 -11.114 13.525 1.00 0.00 H new ATOM 0 HA ILE A 26 26.246 -12.346 15.871 1.00 0.00 H new ATOM 0 HB ILE A 26 28.247 -12.576 14.444 1.00 0.00 H new ATOM 0 HG12 ILE A 26 27.352 -11.819 11.896 1.00 0.00 H new ATOM 0 HG13 ILE A 26 26.891 -10.479 12.926 1.00 0.00 H new ATOM 0 HG21 ILE A 26 27.269 -14.027 12.711 1.00 0.00 H new ATOM 0 HG22 ILE A 26 26.484 -14.267 14.290 1.00 0.00 H new ATOM 0 HG23 ILE A 26 25.667 -13.318 13.025 1.00 0.00 H new ATOM 0 HD11 ILE A 26 29.115 -10.127 11.974 1.00 0.00 H new ATOM 0 HD12 ILE A 26 29.213 -10.290 13.743 1.00 0.00 H new ATOM 0 HD13 ILE A 26 29.681 -11.651 12.697 1.00 0.00 H new ATOM 394 N SER A 27 26.725 -9.241 15.083 1.00 0.00 N ATOM 395 CA SER A 27 27.314 -7.975 15.496 1.00 0.00 C ATOM 396 C SER A 27 26.531 -6.809 14.912 1.00 0.00 C ATOM 397 O SER A 27 25.927 -6.924 13.845 1.00 0.00 O ATOM 398 CB SER A 27 28.773 -7.899 15.052 1.00 0.00 C ATOM 399 OG SER A 27 29.521 -7.039 15.894 1.00 0.00 O ATOM 0 H SER A 27 25.994 -9.153 14.377 1.00 0.00 H new ATOM 0 HA SER A 27 27.273 -7.915 16.584 1.00 0.00 H new ATOM 0 HB2 SER A 27 29.212 -8.897 15.065 1.00 0.00 H new ATOM 0 HB3 SER A 27 28.825 -7.541 14.024 1.00 0.00 H new ATOM 0 HG SER A 27 30.452 -7.010 15.588 1.00 0.00 H new ATOM 405 N GLU A 28 26.537 -5.689 15.623 1.00 0.00 N ATOM 406 CA GLU A 28 25.819 -4.502 15.180 1.00 0.00 C ATOM 407 C GLU A 28 26.652 -3.247 15.416 1.00 0.00 C ATOM 408 O GLU A 28 27.357 -3.137 16.419 1.00 0.00 O ATOM 409 CB GLU A 28 24.485 -4.388 15.919 1.00 0.00 C ATOM 410 CG GLU A 28 24.009 -5.701 16.524 1.00 0.00 C ATOM 411 CD GLU A 28 23.362 -5.518 17.882 1.00 0.00 C ATOM 412 OE1 GLU A 28 22.180 -5.116 17.927 1.00 0.00 O ATOM 413 OE2 GLU A 28 24.036 -5.775 18.901 1.00 0.00 O ATOM 0 H GLU A 28 27.031 -5.578 16.508 1.00 0.00 H new ATOM 0 HA GLU A 28 25.629 -4.596 14.111 1.00 0.00 H new ATOM 0 HB2 GLU A 28 24.581 -3.646 16.712 1.00 0.00 H new ATOM 0 HB3 GLU A 28 23.727 -4.020 15.228 1.00 0.00 H new ATOM 0 HG2 GLU A 28 23.296 -6.171 15.847 1.00 0.00 H new ATOM 0 HG3 GLU A 28 24.856 -6.381 16.618 1.00 0.00 H new ATOM 420 N ALA A 29 26.565 -2.304 14.485 1.00 0.00 N ATOM 421 CA ALA A 29 27.312 -1.056 14.592 1.00 0.00 C ATOM 422 C ALA A 29 26.376 0.126 14.825 1.00 0.00 C ATOM 423 O ALA A 29 25.157 -0.037 14.881 1.00 0.00 O ATOM 424 CB ALA A 29 28.147 -0.831 13.340 1.00 0.00 C ATOM 0 H ALA A 29 25.986 -2.379 13.649 1.00 0.00 H new ATOM 0 HA ALA A 29 27.979 -1.133 15.451 1.00 0.00 H new ATOM 0 HB1 ALA A 29 28.699 0.104 13.434 1.00 0.00 H new ATOM 0 HB2 ALA A 29 28.849 -1.656 13.218 1.00 0.00 H new ATOM 0 HB3 ALA A 29 27.492 -0.780 12.470 1.00 0.00 H new ATOM 430 N LYS A 30 26.956 1.314 14.958 1.00 0.00 N ATOM 431 CA LYS A 30 26.176 2.526 15.182 1.00 0.00 C ATOM 432 C LYS A 30 26.562 3.610 14.181 1.00 0.00 C ATOM 433 O LYS A 30 27.175 4.615 14.541 1.00 0.00 O ATOM 434 CB LYS A 30 26.384 3.034 16.611 1.00 0.00 C ATOM 435 CG LYS A 30 25.809 2.113 17.674 1.00 0.00 C ATOM 436 CD LYS A 30 26.638 2.143 18.947 1.00 0.00 C ATOM 437 CE LYS A 30 25.966 1.369 20.068 1.00 0.00 C ATOM 438 NZ LYS A 30 25.286 2.271 21.037 1.00 0.00 N ATOM 0 H LYS A 30 27.964 1.464 14.915 1.00 0.00 H new ATOM 0 HA LYS A 30 25.122 2.285 15.041 1.00 0.00 H new ATOM 0 HB2 LYS A 30 27.452 3.161 16.791 1.00 0.00 H new ATOM 0 HB3 LYS A 30 25.925 4.018 16.708 1.00 0.00 H new ATOM 0 HG2 LYS A 30 24.785 2.411 17.899 1.00 0.00 H new ATOM 0 HG3 LYS A 30 25.768 1.094 17.290 1.00 0.00 H new ATOM 0 HD2 LYS A 30 27.623 1.720 18.751 1.00 0.00 H new ATOM 0 HD3 LYS A 30 26.791 3.176 19.258 1.00 0.00 H new ATOM 0 HE2 LYS A 30 25.238 0.676 19.645 1.00 0.00 H new ATOM 0 HE3 LYS A 30 26.710 0.769 20.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 24.840 1.703 21.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 25.984 2.915 21.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 24.558 2.825 20.543 1.00 0.00 H new ATOM 452 N ALA A 31 26.202 3.394 12.919 1.00 0.00 N ATOM 453 CA ALA A 31 26.513 4.348 11.862 1.00 0.00 C ATOM 454 C ALA A 31 25.243 4.908 11.232 1.00 0.00 C ATOM 455 O ALA A 31 24.147 4.391 11.452 1.00 0.00 O ATOM 456 CB ALA A 31 27.380 3.688 10.800 1.00 0.00 C ATOM 0 H ALA A 31 25.695 2.567 12.605 1.00 0.00 H new ATOM 0 HA ALA A 31 27.062 5.178 12.306 1.00 0.00 H new ATOM 0 HB1 ALA A 31 27.606 4.410 10.015 1.00 0.00 H new ATOM 0 HB2 ALA A 31 28.309 3.341 11.253 1.00 0.00 H new ATOM 0 HB3 ALA A 31 26.847 2.840 10.370 1.00 0.00 H new ATOM 462 N ALA A 32 25.399 5.970 10.447 1.00 0.00 N ATOM 463 CA ALA A 32 24.268 6.602 9.780 1.00 0.00 C ATOM 464 C ALA A 32 24.175 6.156 8.326 1.00 0.00 C ATOM 465 O ALA A 32 23.138 6.319 7.681 1.00 0.00 O ATOM 466 CB ALA A 32 24.385 8.117 9.864 1.00 0.00 C ATOM 0 H ALA A 32 26.299 6.411 10.258 1.00 0.00 H new ATOM 0 HA ALA A 32 23.355 6.292 10.289 1.00 0.00 H new ATOM 0 HB1 ALA A 32 23.534 8.576 9.362 1.00 0.00 H new ATOM 0 HB2 ALA A 32 24.398 8.424 10.910 1.00 0.00 H new ATOM 0 HB3 ALA A 32 25.308 8.438 9.381 1.00 0.00 H new ATOM 472 N SER A 33 25.265 5.591 7.817 1.00 0.00 N ATOM 473 CA SER A 33 25.310 5.117 6.438 1.00 0.00 C ATOM 474 C SER A 33 25.818 3.680 6.377 1.00 0.00 C ATOM 475 O SER A 33 26.712 3.296 7.133 1.00 0.00 O ATOM 476 CB SER A 33 26.207 6.025 5.594 1.00 0.00 C ATOM 477 OG SER A 33 27.549 5.977 6.042 1.00 0.00 O ATOM 0 H SER A 33 26.130 5.450 8.339 1.00 0.00 H new ATOM 0 HA SER A 33 24.298 5.144 6.035 1.00 0.00 H new ATOM 0 HB2 SER A 33 26.158 5.719 4.549 1.00 0.00 H new ATOM 0 HB3 SER A 33 25.841 7.050 5.643 1.00 0.00 H new ATOM 0 HG SER A 33 28.101 6.565 5.485 1.00 0.00 H new ATOM 483 N SER A 34 25.242 2.891 5.476 1.00 0.00 N ATOM 484 CA SER A 34 25.634 1.495 5.318 1.00 0.00 C ATOM 485 C SER A 34 27.110 1.376 4.967 1.00 0.00 C ATOM 486 O SER A 34 27.758 0.386 5.303 1.00 0.00 O ATOM 487 CB SER A 34 24.793 0.829 4.232 1.00 0.00 C ATOM 488 OG SER A 34 23.488 1.378 4.184 1.00 0.00 O ATOM 0 H SER A 34 24.502 3.195 4.844 1.00 0.00 H new ATOM 0 HA SER A 34 25.463 0.990 6.269 1.00 0.00 H new ATOM 0 HB2 SER A 34 25.279 0.955 3.264 1.00 0.00 H new ATOM 0 HB3 SER A 34 24.733 -0.243 4.422 1.00 0.00 H new ATOM 0 HG SER A 34 22.972 0.934 3.479 1.00 0.00 H new ATOM 494 N GLN A 35 27.636 2.391 4.288 1.00 0.00 N ATOM 495 CA GLN A 35 29.038 2.403 3.889 1.00 0.00 C ATOM 496 C GLN A 35 29.936 2.091 5.082 1.00 0.00 C ATOM 497 O GLN A 35 30.888 1.316 4.973 1.00 0.00 O ATOM 498 CB GLN A 35 29.397 3.764 3.284 1.00 0.00 C ATOM 499 CG GLN A 35 30.872 4.125 3.393 1.00 0.00 C ATOM 500 CD GLN A 35 31.090 5.538 3.896 1.00 0.00 C ATOM 501 OE1 GLN A 35 31.683 6.370 3.208 1.00 0.00 O ATOM 502 NE2 GLN A 35 30.610 5.818 5.102 1.00 0.00 N ATOM 0 H GLN A 35 27.110 3.217 4.002 1.00 0.00 H new ATOM 0 HA GLN A 35 29.196 1.632 3.135 1.00 0.00 H new ATOM 0 HB2 GLN A 35 29.110 3.769 2.233 1.00 0.00 H new ATOM 0 HB3 GLN A 35 28.808 4.536 3.779 1.00 0.00 H new ATOM 0 HG2 GLN A 35 31.365 3.424 4.066 1.00 0.00 H new ATOM 0 HG3 GLN A 35 31.343 4.014 2.416 1.00 0.00 H new ATOM 0 HE21 GLN A 35 30.125 5.098 5.638 1.00 0.00 H new ATOM 0 HE22 GLN A 35 30.726 6.753 5.493 1.00 0.00 H new ATOM 511 N ALA A 36 29.615 2.688 6.224 1.00 0.00 N ATOM 512 CA ALA A 36 30.381 2.463 7.443 1.00 0.00 C ATOM 513 C ALA A 36 30.150 1.050 7.962 1.00 0.00 C ATOM 514 O ALA A 36 31.061 0.415 8.493 1.00 0.00 O ATOM 515 CB ALA A 36 30.007 3.489 8.501 1.00 0.00 C ATOM 0 H ALA A 36 28.830 3.331 6.331 1.00 0.00 H new ATOM 0 HA ALA A 36 31.441 2.576 7.213 1.00 0.00 H new ATOM 0 HB1 ALA A 36 30.588 3.307 9.405 1.00 0.00 H new ATOM 0 HB2 ALA A 36 30.220 4.491 8.128 1.00 0.00 H new ATOM 0 HB3 ALA A 36 28.944 3.405 8.729 1.00 0.00 H new ATOM 521 N CYS A 37 28.924 0.564 7.795 1.00 0.00 N ATOM 522 CA CYS A 37 28.562 -0.775 8.235 1.00 0.00 C ATOM 523 C CYS A 37 29.276 -1.827 7.394 1.00 0.00 C ATOM 524 O CYS A 37 29.498 -2.951 7.844 1.00 0.00 O ATOM 525 CB CYS A 37 27.048 -0.963 8.132 1.00 0.00 C ATOM 526 SG CYS A 37 26.086 0.523 8.565 1.00 0.00 S ATOM 0 H CYS A 37 28.163 1.082 7.356 1.00 0.00 H new ATOM 0 HA CYS A 37 28.870 -0.896 9.274 1.00 0.00 H new ATOM 0 HB2 CYS A 37 26.798 -1.262 7.114 1.00 0.00 H new ATOM 0 HB3 CYS A 37 26.748 -1.781 8.787 1.00 0.00 H new ATOM 531 N GLN A 38 29.639 -1.450 6.172 1.00 0.00 N ATOM 532 CA GLN A 38 30.334 -2.356 5.266 1.00 0.00 C ATOM 533 C GLN A 38 31.786 -2.528 5.693 1.00 0.00 C ATOM 534 O GLN A 38 32.272 -3.649 5.836 1.00 0.00 O ATOM 535 CB GLN A 38 30.270 -1.828 3.831 1.00 0.00 C ATOM 536 CG GLN A 38 28.882 -1.904 3.216 1.00 0.00 C ATOM 537 CD GLN A 38 28.706 -3.116 2.322 1.00 0.00 C ATOM 538 OE1 GLN A 38 28.533 -2.987 1.110 1.00 0.00 O ATOM 539 NE2 GLN A 38 28.750 -4.302 2.917 1.00 0.00 N ATOM 0 H GLN A 38 29.463 -0.522 5.787 1.00 0.00 H new ATOM 0 HA GLN A 38 29.840 -3.327 5.307 1.00 0.00 H new ATOM 0 HB2 GLN A 38 30.607 -0.792 3.819 1.00 0.00 H new ATOM 0 HB3 GLN A 38 30.964 -2.397 3.212 1.00 0.00 H new ATOM 0 HG2 GLN A 38 28.137 -1.933 4.011 1.00 0.00 H new ATOM 0 HG3 GLN A 38 28.695 -1.000 2.637 1.00 0.00 H new ATOM 0 HE21 GLN A 38 28.896 -4.362 3.925 1.00 0.00 H new ATOM 0 HE22 GLN A 38 28.638 -5.153 2.366 1.00 0.00 H new ATOM 548 N GLU A 39 32.472 -1.408 5.900 1.00 0.00 N ATOM 549 CA GLU A 39 33.869 -1.434 6.317 1.00 0.00 C ATOM 550 C GLU A 39 33.999 -2.018 7.720 1.00 0.00 C ATOM 551 O GLU A 39 35.016 -2.620 8.062 1.00 0.00 O ATOM 552 CB GLU A 39 34.462 -0.024 6.280 1.00 0.00 C ATOM 553 CG GLU A 39 35.156 0.310 4.969 1.00 0.00 C ATOM 554 CD GLU A 39 36.445 -0.464 4.777 1.00 0.00 C ATOM 555 OE1 GLU A 39 36.386 -1.591 4.241 1.00 0.00 O ATOM 556 OE2 GLU A 39 37.513 0.055 5.163 1.00 0.00 O ATOM 0 H GLU A 39 32.083 -0.472 5.786 1.00 0.00 H new ATOM 0 HA GLU A 39 34.421 -2.067 5.623 1.00 0.00 H new ATOM 0 HB2 GLU A 39 33.667 0.700 6.455 1.00 0.00 H new ATOM 0 HB3 GLU A 39 35.176 0.083 7.097 1.00 0.00 H new ATOM 0 HG2 GLU A 39 34.481 0.096 4.140 1.00 0.00 H new ATOM 0 HG3 GLU A 39 35.370 1.378 4.938 1.00 0.00 H new ATOM 563 N LEU A 40 32.956 -1.837 8.525 1.00 0.00 N ATOM 564 CA LEU A 40 32.945 -2.348 9.891 1.00 0.00 C ATOM 565 C LEU A 40 32.876 -3.871 9.893 1.00 0.00 C ATOM 566 O LEU A 40 33.745 -4.541 10.451 1.00 0.00 O ATOM 567 CB LEU A 40 31.756 -1.759 10.664 1.00 0.00 C ATOM 568 CG LEU A 40 31.588 -2.239 12.114 1.00 0.00 C ATOM 569 CD1 LEU A 40 30.664 -3.446 12.172 1.00 0.00 C ATOM 570 CD2 LEU A 40 32.934 -2.564 12.745 1.00 0.00 C ATOM 0 H LEU A 40 32.107 -1.340 8.254 1.00 0.00 H new ATOM 0 HA LEU A 40 33.870 -2.046 10.383 1.00 0.00 H new ATOM 0 HB2 LEU A 40 31.855 -0.674 10.671 1.00 0.00 H new ATOM 0 HB3 LEU A 40 30.842 -1.992 10.117 1.00 0.00 H new ATOM 0 HG LEU A 40 31.137 -1.429 12.687 1.00 0.00 H new ATOM 0 HD11 LEU A 40 30.556 -3.773 13.206 1.00 0.00 H new ATOM 0 HD12 LEU A 40 29.686 -3.175 11.773 1.00 0.00 H new ATOM 0 HD13 LEU A 40 31.086 -4.256 11.578 1.00 0.00 H new ATOM 0 HD21 LEU A 40 32.783 -2.901 13.771 1.00 0.00 H new ATOM 0 HD22 LEU A 40 33.423 -3.352 12.173 1.00 0.00 H new ATOM 0 HD23 LEU A 40 33.561 -1.672 12.744 1.00 0.00 H new ATOM 582 N CYS A 41 31.838 -4.411 9.265 1.00 0.00 N ATOM 583 CA CYS A 41 31.657 -5.855 9.194 1.00 0.00 C ATOM 584 C CYS A 41 32.779 -6.503 8.392 1.00 0.00 C ATOM 585 O CYS A 41 33.101 -7.674 8.591 1.00 0.00 O ATOM 586 CB CYS A 41 30.297 -6.188 8.578 1.00 0.00 C ATOM 587 SG CYS A 41 30.364 -6.693 6.827 1.00 0.00 S ATOM 0 H CYS A 41 31.110 -3.871 8.798 1.00 0.00 H new ATOM 0 HA CYS A 41 31.690 -6.256 10.207 1.00 0.00 H new ATOM 0 HB2 CYS A 41 29.836 -6.989 9.157 1.00 0.00 H new ATOM 0 HB3 CYS A 41 29.649 -5.316 8.667 1.00 0.00 H new ATOM 592 N GLU A 42 33.381 -5.730 7.490 1.00 0.00 N ATOM 593 CA GLU A 42 34.476 -6.232 6.669 1.00 0.00 C ATOM 594 C GLU A 42 35.662 -6.614 7.546 1.00 0.00 C ATOM 595 O GLU A 42 36.457 -7.486 7.194 1.00 0.00 O ATOM 596 CB GLU A 42 34.902 -5.180 5.643 1.00 0.00 C ATOM 597 CG GLU A 42 34.509 -5.528 4.216 1.00 0.00 C ATOM 598 CD GLU A 42 35.513 -5.025 3.195 1.00 0.00 C ATOM 599 OE1 GLU A 42 35.423 -3.842 2.809 1.00 0.00 O ATOM 600 OE2 GLU A 42 36.389 -5.815 2.785 1.00 0.00 O ATOM 0 H GLU A 42 33.129 -4.758 7.311 1.00 0.00 H new ATOM 0 HA GLU A 42 34.129 -7.118 6.138 1.00 0.00 H new ATOM 0 HB2 GLU A 42 34.456 -4.222 5.911 1.00 0.00 H new ATOM 0 HB3 GLU A 42 35.983 -5.053 5.693 1.00 0.00 H new ATOM 0 HG2 GLU A 42 34.413 -6.610 4.123 1.00 0.00 H new ATOM 0 HG3 GLU A 42 33.530 -5.101 3.998 1.00 0.00 H new ATOM 607 N LYS A 43 35.767 -5.955 8.696 1.00 0.00 N ATOM 608 CA LYS A 43 36.845 -6.220 9.638 1.00 0.00 C ATOM 609 C LYS A 43 36.558 -7.488 10.436 1.00 0.00 C ATOM 610 O LYS A 43 37.444 -8.040 11.088 1.00 0.00 O ATOM 611 CB LYS A 43 37.021 -5.032 10.585 1.00 0.00 C ATOM 612 CG LYS A 43 37.941 -3.953 10.041 1.00 0.00 C ATOM 613 CD LYS A 43 39.267 -3.921 10.786 1.00 0.00 C ATOM 614 CE LYS A 43 40.406 -3.493 9.877 1.00 0.00 C ATOM 615 NZ LYS A 43 41.279 -2.474 10.522 1.00 0.00 N ATOM 0 H LYS A 43 35.115 -5.231 8.997 1.00 0.00 H new ATOM 0 HA LYS A 43 37.768 -6.365 9.076 1.00 0.00 H new ATOM 0 HB2 LYS A 43 36.044 -4.595 10.792 1.00 0.00 H new ATOM 0 HB3 LYS A 43 37.417 -5.391 11.535 1.00 0.00 H new ATOM 0 HG2 LYS A 43 38.123 -4.129 8.981 1.00 0.00 H new ATOM 0 HG3 LYS A 43 37.453 -2.982 10.124 1.00 0.00 H new ATOM 0 HD2 LYS A 43 39.195 -3.234 11.629 1.00 0.00 H new ATOM 0 HD3 LYS A 43 39.479 -4.908 11.196 1.00 0.00 H new ATOM 0 HE2 LYS A 43 41.003 -4.365 9.608 1.00 0.00 H new ATOM 0 HE3 LYS A 43 39.999 -3.088 8.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 42.044 -2.209 9.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 40.715 -1.632 10.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 41.689 -2.869 11.393 1.00 0.00 H new ATOM 629 N ASP A 44 35.310 -7.943 10.374 1.00 0.00 N ATOM 630 CA ASP A 44 34.894 -9.147 11.084 1.00 0.00 C ATOM 631 C ASP A 44 34.846 -10.343 10.137 1.00 0.00 C ATOM 632 O ASP A 44 34.640 -10.185 8.933 1.00 0.00 O ATOM 633 CB ASP A 44 33.522 -8.934 11.730 1.00 0.00 C ATOM 634 CG ASP A 44 33.284 -9.865 12.901 1.00 0.00 C ATOM 635 OD1 ASP A 44 33.629 -9.487 14.041 1.00 0.00 O ATOM 636 OD2 ASP A 44 32.752 -10.973 12.679 1.00 0.00 O ATOM 0 H ASP A 44 34.568 -7.494 9.838 1.00 0.00 H new ATOM 0 HA ASP A 44 35.626 -9.353 11.865 1.00 0.00 H new ATOM 0 HB2 ASP A 44 33.439 -7.901 12.068 1.00 0.00 H new ATOM 0 HB3 ASP A 44 32.744 -9.088 10.983 1.00 0.00 H new ATOM 641 N ALA A 45 35.042 -11.538 10.686 1.00 0.00 N ATOM 642 CA ALA A 45 35.026 -12.758 9.888 1.00 0.00 C ATOM 643 C ALA A 45 33.699 -13.497 10.030 1.00 0.00 C ATOM 644 O ALA A 45 33.598 -14.680 9.703 1.00 0.00 O ATOM 645 CB ALA A 45 36.179 -13.664 10.290 1.00 0.00 C ATOM 0 H ALA A 45 35.214 -11.687 11.680 1.00 0.00 H new ATOM 0 HA ALA A 45 35.142 -12.476 8.841 1.00 0.00 H new ATOM 0 HB1 ALA A 45 36.156 -14.572 9.687 1.00 0.00 H new ATOM 0 HB2 ALA A 45 37.123 -13.145 10.128 1.00 0.00 H new ATOM 0 HB3 ALA A 45 36.085 -13.926 11.344 1.00 0.00 H new ATOM 651 N LYS A 46 32.683 -12.794 10.518 1.00 0.00 N ATOM 652 CA LYS A 46 31.363 -13.385 10.702 1.00 0.00 C ATOM 653 C LYS A 46 30.286 -12.531 10.041 1.00 0.00 C ATOM 654 O LYS A 46 29.092 -12.786 10.201 1.00 0.00 O ATOM 655 CB LYS A 46 31.059 -13.549 12.191 1.00 0.00 C ATOM 656 CG LYS A 46 31.752 -14.742 12.827 1.00 0.00 C ATOM 657 CD LYS A 46 30.843 -15.459 13.811 1.00 0.00 C ATOM 658 CE LYS A 46 31.611 -15.943 15.030 1.00 0.00 C ATOM 659 NZ LYS A 46 31.835 -14.849 16.016 1.00 0.00 N ATOM 0 H LYS A 46 32.748 -11.814 10.793 1.00 0.00 H new ATOM 0 HA LYS A 46 31.363 -14.366 10.228 1.00 0.00 H new ATOM 0 HB2 LYS A 46 31.360 -12.643 12.716 1.00 0.00 H new ATOM 0 HB3 LYS A 46 29.982 -13.652 12.324 1.00 0.00 H new ATOM 0 HG2 LYS A 46 32.067 -15.437 12.049 1.00 0.00 H new ATOM 0 HG3 LYS A 46 32.654 -14.408 13.341 1.00 0.00 H new ATOM 0 HD2 LYS A 46 30.045 -14.787 14.126 1.00 0.00 H new ATOM 0 HD3 LYS A 46 30.369 -16.308 13.318 1.00 0.00 H new ATOM 0 HE2 LYS A 46 31.061 -16.754 15.507 1.00 0.00 H new ATOM 0 HE3 LYS A 46 32.572 -16.351 14.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 32.362 -15.220 16.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 32.382 -14.085 15.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 30.918 -14.477 16.336 1.00 0.00 H new ATOM 673 N CYS A 47 30.716 -11.517 9.297 1.00 0.00 N ATOM 674 CA CYS A 47 29.789 -10.625 8.611 1.00 0.00 C ATOM 675 C CYS A 47 29.489 -11.129 7.202 1.00 0.00 C ATOM 676 O CYS A 47 30.358 -11.686 6.532 1.00 0.00 O ATOM 677 CB CYS A 47 30.365 -9.208 8.553 1.00 0.00 C ATOM 678 SG CYS A 47 30.859 -8.664 6.884 1.00 0.00 S ATOM 0 H CYS A 47 31.701 -11.293 9.154 1.00 0.00 H new ATOM 0 HA CYS A 47 28.855 -10.606 9.173 1.00 0.00 H new ATOM 0 HB2 CYS A 47 29.624 -8.511 8.945 1.00 0.00 H new ATOM 0 HB3 CYS A 47 31.232 -9.154 9.211 1.00 0.00 H new ATOM 683 N ARG A 48 28.251 -10.927 6.761 1.00 0.00 N ATOM 684 CA ARG A 48 27.830 -11.356 5.432 1.00 0.00 C ATOM 685 C ARG A 48 26.682 -10.488 4.927 1.00 0.00 C ATOM 686 O ARG A 48 26.880 -9.598 4.099 1.00 0.00 O ATOM 687 CB ARG A 48 27.404 -12.825 5.457 1.00 0.00 C ATOM 688 CG ARG A 48 28.273 -13.725 4.593 1.00 0.00 C ATOM 689 CD ARG A 48 28.938 -14.816 5.417 1.00 0.00 C ATOM 690 NE ARG A 48 28.958 -16.096 4.715 1.00 0.00 N ATOM 691 CZ ARG A 48 28.639 -17.255 5.285 1.00 0.00 C ATOM 692 NH1 ARG A 48 28.277 -17.294 6.561 1.00 0.00 N ATOM 693 NH2 ARG A 48 28.682 -18.377 4.578 1.00 0.00 N ATOM 0 H ARG A 48 27.521 -10.468 7.306 1.00 0.00 H new ATOM 0 HA ARG A 48 28.675 -11.245 4.753 1.00 0.00 H new ATOM 0 HB2 ARG A 48 27.432 -13.185 6.485 1.00 0.00 H new ATOM 0 HB3 ARG A 48 26.370 -12.901 5.121 1.00 0.00 H new ATOM 0 HG2 ARG A 48 27.664 -14.178 3.811 1.00 0.00 H new ATOM 0 HG3 ARG A 48 29.037 -13.127 4.096 1.00 0.00 H new ATOM 0 HD2 ARG A 48 29.959 -14.518 5.657 1.00 0.00 H new ATOM 0 HD3 ARG A 48 28.409 -14.930 6.363 1.00 0.00 H new ATOM 0 HE ARG A 48 29.232 -16.102 3.732 1.00 0.00 H new ATOM 0 HH11 ARG A 48 28.243 -16.434 7.108 1.00 0.00 H new ATOM 0 HH12 ARG A 48 28.033 -18.184 6.995 1.00 0.00 H new ATOM 0 HH21 ARG A 48 28.960 -18.351 3.597 1.00 0.00 H new ATOM 0 HH22 ARG A 48 28.437 -19.265 5.016 1.00 0.00 H new ATOM 707 N PHE A 49 25.483 -10.749 5.436 1.00 0.00 N ATOM 708 CA PHE A 49 24.302 -9.988 5.044 1.00 0.00 C ATOM 709 C PHE A 49 24.004 -8.901 6.071 1.00 0.00 C ATOM 710 O PHE A 49 23.229 -9.110 7.004 1.00 0.00 O ATOM 711 CB PHE A 49 23.092 -10.915 4.900 1.00 0.00 C ATOM 712 CG PHE A 49 23.426 -12.256 4.310 1.00 0.00 C ATOM 713 CD1 PHE A 49 23.798 -12.371 2.980 1.00 0.00 C ATOM 714 CD2 PHE A 49 23.366 -13.402 5.086 1.00 0.00 C ATOM 715 CE1 PHE A 49 24.104 -13.603 2.435 1.00 0.00 C ATOM 716 CE2 PHE A 49 23.671 -14.637 4.547 1.00 0.00 C ATOM 717 CZ PHE A 49 24.041 -14.738 3.220 1.00 0.00 C ATOM 0 H PHE A 49 25.303 -11.482 6.122 1.00 0.00 H new ATOM 0 HA PHE A 49 24.502 -9.518 4.081 1.00 0.00 H new ATOM 0 HB2 PHE A 49 22.639 -11.062 5.881 1.00 0.00 H new ATOM 0 HB3 PHE A 49 22.345 -10.428 4.273 1.00 0.00 H new ATOM 0 HD1 PHE A 49 23.849 -11.487 2.362 1.00 0.00 H new ATOM 0 HD2 PHE A 49 23.077 -13.329 6.124 1.00 0.00 H new ATOM 0 HE1 PHE A 49 24.392 -13.679 1.397 1.00 0.00 H new ATOM 0 HE2 PHE A 49 23.620 -15.523 5.163 1.00 0.00 H new ATOM 0 HZ PHE A 49 24.281 -15.702 2.797 1.00 0.00 H new ATOM 727 N PHE A 50 24.632 -7.742 5.898 1.00 0.00 N ATOM 728 CA PHE A 50 24.439 -6.624 6.815 1.00 0.00 C ATOM 729 C PHE A 50 23.029 -6.052 6.701 1.00 0.00 C ATOM 730 O PHE A 50 22.274 -6.405 5.794 1.00 0.00 O ATOM 731 CB PHE A 50 25.477 -5.531 6.549 1.00 0.00 C ATOM 732 CG PHE A 50 25.222 -4.748 5.292 1.00 0.00 C ATOM 733 CD1 PHE A 50 25.579 -5.261 4.057 1.00 0.00 C ATOM 734 CD2 PHE A 50 24.626 -3.499 5.350 1.00 0.00 C ATOM 735 CE1 PHE A 50 25.345 -4.542 2.900 1.00 0.00 C ATOM 736 CE2 PHE A 50 24.388 -2.776 4.197 1.00 0.00 C ATOM 737 CZ PHE A 50 24.749 -3.298 2.970 1.00 0.00 C ATOM 0 H PHE A 50 25.278 -7.553 5.132 1.00 0.00 H new ATOM 0 HA PHE A 50 24.571 -6.997 7.831 1.00 0.00 H new ATOM 0 HB2 PHE A 50 25.495 -4.845 7.396 1.00 0.00 H new ATOM 0 HB3 PHE A 50 26.465 -5.988 6.488 1.00 0.00 H new ATOM 0 HD1 PHE A 50 26.045 -6.233 3.997 1.00 0.00 H new ATOM 0 HD2 PHE A 50 24.344 -3.086 6.307 1.00 0.00 H new ATOM 0 HE1 PHE A 50 25.628 -4.953 1.942 1.00 0.00 H new ATOM 0 HE2 PHE A 50 23.920 -1.804 4.255 1.00 0.00 H new ATOM 0 HZ PHE A 50 24.566 -2.734 2.067 1.00 0.00 H new ATOM 747 N THR A 51 22.686 -5.168 7.631 1.00 0.00 N ATOM 748 CA THR A 51 21.371 -4.539 7.652 1.00 0.00 C ATOM 749 C THR A 51 21.398 -3.265 8.494 1.00 0.00 C ATOM 750 O THR A 51 21.353 -3.320 9.723 1.00 0.00 O ATOM 751 CB THR A 51 20.296 -5.504 8.201 1.00 0.00 C ATOM 752 OG1 THR A 51 20.033 -6.534 7.243 1.00 0.00 O ATOM 753 CG2 THR A 51 19.005 -4.766 8.521 1.00 0.00 C ATOM 0 H THR A 51 23.305 -4.869 8.385 1.00 0.00 H new ATOM 0 HA THR A 51 21.113 -4.284 6.624 1.00 0.00 H new ATOM 0 HB THR A 51 20.677 -5.945 9.122 1.00 0.00 H new ATOM 0 HG1 THR A 51 19.066 -6.673 7.170 1.00 0.00 H new ATOM 0 HG21 THR A 51 18.268 -5.471 8.905 1.00 0.00 H new ATOM 0 HG22 THR A 51 19.200 -4.000 9.272 1.00 0.00 H new ATOM 0 HG23 THR A 51 18.620 -4.297 7.616 1.00 0.00 H new ATOM 761 N LEU A 52 21.478 -2.122 7.820 1.00 0.00 N ATOM 762 CA LEU A 52 21.517 -0.832 8.501 1.00 0.00 C ATOM 763 C LEU A 52 20.106 -0.284 8.709 1.00 0.00 C ATOM 764 O LEU A 52 19.172 -0.667 8.007 1.00 0.00 O ATOM 765 CB LEU A 52 22.359 0.165 7.696 1.00 0.00 C ATOM 766 CG LEU A 52 22.205 1.632 8.102 1.00 0.00 C ATOM 767 CD1 LEU A 52 23.088 1.951 9.298 1.00 0.00 C ATOM 768 CD2 LEU A 52 22.533 2.548 6.933 1.00 0.00 C ATOM 0 H LEU A 52 21.517 -2.063 6.802 1.00 0.00 H new ATOM 0 HA LEU A 52 21.976 -0.975 9.479 1.00 0.00 H new ATOM 0 HB2 LEU A 52 23.409 -0.112 7.791 1.00 0.00 H new ATOM 0 HB3 LEU A 52 22.098 0.068 6.642 1.00 0.00 H new ATOM 0 HG LEU A 52 21.167 1.802 8.388 1.00 0.00 H new ATOM 0 HD11 LEU A 52 22.965 2.999 9.572 1.00 0.00 H new ATOM 0 HD12 LEU A 52 22.803 1.320 10.140 1.00 0.00 H new ATOM 0 HD13 LEU A 52 24.131 1.763 9.041 1.00 0.00 H new ATOM 0 HD21 LEU A 52 22.418 3.587 7.241 1.00 0.00 H new ATOM 0 HD22 LEU A 52 23.561 2.376 6.613 1.00 0.00 H new ATOM 0 HD23 LEU A 52 21.856 2.338 6.105 1.00 0.00 H new ATOM 780 N ALA A 53 19.963 0.615 9.677 1.00 0.00 N ATOM 781 CA ALA A 53 18.672 1.220 9.976 1.00 0.00 C ATOM 782 C ALA A 53 18.791 2.735 10.075 1.00 0.00 C ATOM 783 O ALA A 53 19.737 3.328 9.556 1.00 0.00 O ATOM 784 CB ALA A 53 18.105 0.644 11.265 1.00 0.00 C ATOM 0 H ALA A 53 20.728 0.941 10.268 1.00 0.00 H new ATOM 0 HA ALA A 53 17.988 0.988 9.159 1.00 0.00 H new ATOM 0 HB1 ALA A 53 17.140 1.105 11.476 1.00 0.00 H new ATOM 0 HB2 ALA A 53 17.977 -0.433 11.157 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.792 0.847 12.087 1.00 0.00 H new ATOM 790 N SER A 54 17.823 3.356 10.743 1.00 0.00 N ATOM 791 CA SER A 54 17.812 4.805 10.912 1.00 0.00 C ATOM 792 C SER A 54 19.134 5.300 11.495 1.00 0.00 C ATOM 793 O SER A 54 19.507 6.458 11.313 1.00 0.00 O ATOM 794 CB SER A 54 16.653 5.224 11.818 1.00 0.00 C ATOM 795 OG SER A 54 16.055 6.424 11.361 1.00 0.00 O ATOM 0 H SER A 54 17.034 2.876 11.177 1.00 0.00 H new ATOM 0 HA SER A 54 17.680 5.258 9.929 1.00 0.00 H new ATOM 0 HB2 SER A 54 15.906 4.431 11.848 1.00 0.00 H new ATOM 0 HB3 SER A 54 17.015 5.360 12.837 1.00 0.00 H new ATOM 0 HG SER A 54 15.316 6.669 11.956 1.00 0.00 H new ATOM 801 N GLY A 55 19.836 4.414 12.196 1.00 0.00 N ATOM 802 CA GLY A 55 21.106 4.781 12.792 1.00 0.00 C ATOM 803 C GLY A 55 21.751 3.632 13.543 1.00 0.00 C ATOM 804 O GLY A 55 22.259 3.813 14.650 1.00 0.00 O ATOM 0 H GLY A 55 19.547 3.450 12.361 1.00 0.00 H new ATOM 0 HA2 GLY A 55 21.784 5.126 12.011 1.00 0.00 H new ATOM 0 HA3 GLY A 55 20.955 5.617 13.475 1.00 0.00 H new ATOM 808 N LYS A 56 21.728 2.449 12.941 1.00 0.00 N ATOM 809 CA LYS A 56 22.314 1.265 13.559 1.00 0.00 C ATOM 810 C LYS A 56 22.524 0.157 12.532 1.00 0.00 C ATOM 811 O LYS A 56 21.581 -0.279 11.872 1.00 0.00 O ATOM 812 CB LYS A 56 21.417 0.760 14.692 1.00 0.00 C ATOM 813 CG LYS A 56 22.190 0.224 15.885 1.00 0.00 C ATOM 814 CD LYS A 56 21.329 0.192 17.138 1.00 0.00 C ATOM 815 CE LYS A 56 21.191 -1.219 17.685 1.00 0.00 C ATOM 816 NZ LYS A 56 22.515 -1.839 17.966 1.00 0.00 N ATOM 0 H LYS A 56 21.310 2.284 12.025 1.00 0.00 H new ATOM 0 HA LYS A 56 23.285 1.544 13.967 1.00 0.00 H new ATOM 0 HB2 LYS A 56 20.771 1.573 15.023 1.00 0.00 H new ATOM 0 HB3 LYS A 56 20.767 -0.026 14.307 1.00 0.00 H new ATOM 0 HG2 LYS A 56 22.551 -0.781 15.664 1.00 0.00 H new ATOM 0 HG3 LYS A 56 23.067 0.846 16.061 1.00 0.00 H new ATOM 0 HD2 LYS A 56 21.769 0.837 17.899 1.00 0.00 H new ATOM 0 HD3 LYS A 56 20.341 0.594 16.912 1.00 0.00 H new ATOM 0 HE2 LYS A 56 20.599 -1.197 18.600 1.00 0.00 H new ATOM 0 HE3 LYS A 56 20.647 -1.834 16.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 22.423 -2.513 18.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 22.851 -2.340 17.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 23.198 -1.098 18.223 1.00 0.00 H new ATOM 830 N CYS A 57 23.769 -0.297 12.405 1.00 0.00 N ATOM 831 CA CYS A 57 24.106 -1.357 11.462 1.00 0.00 C ATOM 832 C CYS A 57 23.900 -2.729 12.097 1.00 0.00 C ATOM 833 O CYS A 57 23.978 -2.877 13.315 1.00 0.00 O ATOM 834 CB CYS A 57 25.554 -1.212 10.995 1.00 0.00 C ATOM 835 SG CYS A 57 26.041 0.497 10.594 1.00 0.00 S ATOM 0 H CYS A 57 24.560 0.054 12.944 1.00 0.00 H new ATOM 0 HA CYS A 57 23.444 -1.269 10.600 1.00 0.00 H new ATOM 0 HB2 CYS A 57 26.215 -1.593 11.773 1.00 0.00 H new ATOM 0 HB3 CYS A 57 25.705 -1.837 10.115 1.00 0.00 H new ATOM 840 N SER A 58 23.634 -3.731 11.262 1.00 0.00 N ATOM 841 CA SER A 58 23.415 -5.087 11.746 1.00 0.00 C ATOM 842 C SER A 58 23.949 -6.114 10.752 1.00 0.00 C ATOM 843 O SER A 58 23.304 -6.406 9.746 1.00 0.00 O ATOM 844 CB SER A 58 21.924 -5.325 11.978 1.00 0.00 C ATOM 845 OG SER A 58 21.618 -5.349 13.361 1.00 0.00 O ATOM 0 H SER A 58 23.566 -3.627 10.250 1.00 0.00 H new ATOM 0 HA SER A 58 23.953 -5.203 12.687 1.00 0.00 H new ATOM 0 HB2 SER A 58 21.347 -4.540 11.489 1.00 0.00 H new ATOM 0 HB3 SER A 58 21.628 -6.269 11.521 1.00 0.00 H new ATOM 0 HG SER A 58 20.657 -5.501 13.481 1.00 0.00 H new ATOM 851 N LEU A 59 25.123 -6.668 11.038 1.00 0.00 N ATOM 852 CA LEU A 59 25.721 -7.667 10.160 1.00 0.00 C ATOM 853 C LEU A 59 25.334 -9.070 10.607 1.00 0.00 C ATOM 854 O LEU A 59 25.518 -9.436 11.768 1.00 0.00 O ATOM 855 CB LEU A 59 27.245 -7.524 10.127 1.00 0.00 C ATOM 856 CG LEU A 59 27.874 -6.898 11.374 1.00 0.00 C ATOM 857 CD1 LEU A 59 29.222 -7.538 11.665 1.00 0.00 C ATOM 858 CD2 LEU A 59 28.023 -5.396 11.198 1.00 0.00 C ATOM 0 H LEU A 59 25.676 -6.444 11.865 1.00 0.00 H new ATOM 0 HA LEU A 59 25.339 -7.502 9.152 1.00 0.00 H new ATOM 0 HB2 LEU A 59 27.682 -8.511 9.977 1.00 0.00 H new ATOM 0 HB3 LEU A 59 27.517 -6.920 9.261 1.00 0.00 H new ATOM 0 HG LEU A 59 27.215 -7.080 12.223 1.00 0.00 H new ATOM 0 HD11 LEU A 59 29.657 -7.082 12.555 1.00 0.00 H new ATOM 0 HD12 LEU A 59 29.089 -8.607 11.833 1.00 0.00 H new ATOM 0 HD13 LEU A 59 29.888 -7.385 10.816 1.00 0.00 H new ATOM 0 HD21 LEU A 59 28.472 -4.967 12.094 1.00 0.00 H new ATOM 0 HD22 LEU A 59 28.662 -5.192 10.339 1.00 0.00 H new ATOM 0 HD23 LEU A 59 27.042 -4.950 11.035 1.00 0.00 H new ATOM 870 N PHE A 60 24.786 -9.849 9.681 1.00 0.00 N ATOM 871 CA PHE A 60 24.360 -11.211 9.980 1.00 0.00 C ATOM 872 C PHE A 60 25.204 -12.228 9.219 1.00 0.00 C ATOM 873 O PHE A 60 25.728 -11.936 8.144 1.00 0.00 O ATOM 874 CB PHE A 60 22.882 -11.388 9.631 1.00 0.00 C ATOM 875 CG PHE A 60 21.986 -10.379 10.292 1.00 0.00 C ATOM 876 CD1 PHE A 60 21.815 -9.116 9.743 1.00 0.00 C ATOM 877 CD2 PHE A 60 21.313 -10.690 11.463 1.00 0.00 C ATOM 878 CE1 PHE A 60 20.993 -8.188 10.349 1.00 0.00 C ATOM 879 CE2 PHE A 60 20.489 -9.764 12.073 1.00 0.00 C ATOM 880 CZ PHE A 60 20.330 -8.510 11.515 1.00 0.00 C ATOM 0 H PHE A 60 24.626 -9.560 8.716 1.00 0.00 H new ATOM 0 HA PHE A 60 24.499 -11.384 11.047 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.761 -11.317 8.550 1.00 0.00 H new ATOM 0 HB3 PHE A 60 22.565 -12.390 9.922 1.00 0.00 H new ATOM 0 HD1 PHE A 60 22.331 -8.856 8.831 1.00 0.00 H new ATOM 0 HD2 PHE A 60 21.434 -11.668 11.904 1.00 0.00 H new ATOM 0 HE1 PHE A 60 20.869 -7.209 9.910 1.00 0.00 H new ATOM 0 HE2 PHE A 60 19.970 -10.020 12.985 1.00 0.00 H new ATOM 0 HZ PHE A 60 19.688 -7.783 11.991 1.00 0.00 H new ATOM 890 N ALA A 61 25.333 -13.424 9.787 1.00 0.00 N ATOM 891 CA ALA A 61 26.114 -14.486 9.165 1.00 0.00 C ATOM 892 C ALA A 61 25.210 -15.530 8.517 1.00 0.00 C ATOM 893 O ALA A 61 24.958 -15.485 7.313 1.00 0.00 O ATOM 894 CB ALA A 61 27.027 -15.139 10.191 1.00 0.00 C ATOM 0 H ALA A 61 24.906 -13.681 10.677 1.00 0.00 H new ATOM 0 HA ALA A 61 26.726 -14.040 8.381 1.00 0.00 H new ATOM 0 HB1 ALA A 61 27.604 -15.930 9.713 1.00 0.00 H new ATOM 0 HB2 ALA A 61 27.706 -14.392 10.602 1.00 0.00 H new ATOM 0 HB3 ALA A 61 26.426 -15.564 10.995 1.00 0.00 H new ATOM 900 N ASP A 62 24.725 -16.468 9.324 1.00 0.00 N ATOM 901 CA ASP A 62 23.849 -17.525 8.830 1.00 0.00 C ATOM 902 C ASP A 62 22.643 -17.707 9.746 1.00 0.00 C ATOM 903 O ASP A 62 22.731 -18.371 10.780 1.00 0.00 O ATOM 904 CB ASP A 62 24.620 -18.841 8.714 1.00 0.00 C ATOM 905 CG ASP A 62 24.134 -19.696 7.559 1.00 0.00 C ATOM 906 OD1 ASP A 62 24.290 -19.267 6.397 1.00 0.00 O ATOM 907 OD2 ASP A 62 23.597 -20.793 7.819 1.00 0.00 O ATOM 0 H ASP A 62 24.924 -16.518 10.323 1.00 0.00 H new ATOM 0 HA ASP A 62 23.490 -17.233 7.843 1.00 0.00 H new ATOM 0 HB2 ASP A 62 25.681 -18.627 8.583 1.00 0.00 H new ATOM 0 HB3 ASP A 62 24.520 -19.401 9.644 1.00 0.00 H new ATOM 912 N ASP A 63 21.517 -17.116 9.359 1.00 0.00 N ATOM 913 CA ASP A 63 20.291 -17.213 10.143 1.00 0.00 C ATOM 914 C ASP A 63 19.075 -16.863 9.292 1.00 0.00 C ATOM 915 O ASP A 63 19.035 -15.812 8.652 1.00 0.00 O ATOM 916 CB ASP A 63 20.364 -16.283 11.355 1.00 0.00 C ATOM 917 CG ASP A 63 20.226 -17.031 12.667 1.00 0.00 C ATOM 918 OD1 ASP A 63 21.177 -17.747 13.045 1.00 0.00 O ATOM 919 OD2 ASP A 63 19.167 -16.901 13.315 1.00 0.00 O ATOM 0 H ASP A 63 21.428 -16.564 8.506 1.00 0.00 H new ATOM 0 HA ASP A 63 20.188 -18.242 10.488 1.00 0.00 H new ATOM 0 HB2 ASP A 63 21.314 -15.749 11.343 1.00 0.00 H new ATOM 0 HB3 ASP A 63 19.576 -15.534 11.283 1.00 0.00 H new ATOM 924 N ALA A 64 18.085 -17.751 9.287 1.00 0.00 N ATOM 925 CA ALA A 64 16.869 -17.533 8.512 1.00 0.00 C ATOM 926 C ALA A 64 15.693 -17.189 9.417 1.00 0.00 C ATOM 927 O ALA A 64 14.982 -18.073 9.895 1.00 0.00 O ATOM 928 CB ALA A 64 16.551 -18.756 7.671 1.00 0.00 C ATOM 0 H ALA A 64 18.101 -18.627 9.810 1.00 0.00 H new ATOM 0 HA ALA A 64 17.041 -16.686 7.848 1.00 0.00 H new ATOM 0 HB1 ALA A 64 15.641 -18.577 7.099 1.00 0.00 H new ATOM 0 HB2 ALA A 64 17.377 -18.952 6.987 1.00 0.00 H new ATOM 0 HB3 ALA A 64 16.407 -19.618 8.322 1.00 0.00 H new ATOM 934 N ALA A 65 15.496 -15.896 9.643 1.00 0.00 N ATOM 935 CA ALA A 65 14.410 -15.414 10.487 1.00 0.00 C ATOM 936 C ALA A 65 14.319 -13.893 10.433 1.00 0.00 C ATOM 937 O ALA A 65 13.417 -13.292 11.015 1.00 0.00 O ATOM 938 CB ALA A 65 14.611 -15.879 11.921 1.00 0.00 C ATOM 0 H ALA A 65 16.079 -15.157 9.250 1.00 0.00 H new ATOM 0 HA ALA A 65 13.474 -15.827 10.111 1.00 0.00 H new ATOM 0 HB1 ALA A 65 13.793 -15.512 12.541 1.00 0.00 H new ATOM 0 HB2 ALA A 65 14.629 -16.968 11.951 1.00 0.00 H new ATOM 0 HB3 ALA A 65 15.556 -15.490 12.300 1.00 0.00 H new ATOM 944 N LEU A 66 15.269 -13.281 9.733 1.00 0.00 N ATOM 945 CA LEU A 66 15.320 -11.835 9.595 1.00 0.00 C ATOM 946 C LEU A 66 14.058 -11.290 8.935 1.00 0.00 C ATOM 947 O LEU A 66 13.710 -11.679 7.820 1.00 0.00 O ATOM 948 CB LEU A 66 16.547 -11.438 8.776 1.00 0.00 C ATOM 949 CG LEU A 66 17.880 -11.539 9.518 1.00 0.00 C ATOM 950 CD1 LEU A 66 18.199 -12.985 9.858 1.00 0.00 C ATOM 951 CD2 LEU A 66 18.999 -10.928 8.690 1.00 0.00 C ATOM 0 H LEU A 66 16.020 -13.773 9.249 1.00 0.00 H new ATOM 0 HA LEU A 66 15.388 -11.404 10.594 1.00 0.00 H new ATOM 0 HB2 LEU A 66 16.593 -12.070 7.889 1.00 0.00 H new ATOM 0 HB3 LEU A 66 16.418 -10.412 8.430 1.00 0.00 H new ATOM 0 HG LEU A 66 17.794 -10.980 10.450 1.00 0.00 H new ATOM 0 HD11 LEU A 66 19.152 -13.033 10.385 1.00 0.00 H new ATOM 0 HD12 LEU A 66 17.412 -13.392 10.493 1.00 0.00 H new ATOM 0 HD13 LEU A 66 18.263 -13.569 8.940 1.00 0.00 H new ATOM 0 HD21 LEU A 66 19.940 -11.009 9.234 1.00 0.00 H new ATOM 0 HD22 LEU A 66 19.081 -11.459 7.742 1.00 0.00 H new ATOM 0 HD23 LEU A 66 18.779 -9.877 8.500 1.00 0.00 H new ATOM 963 N ARG A 67 13.387 -10.377 9.627 1.00 0.00 N ATOM 964 CA ARG A 67 12.172 -9.759 9.111 1.00 0.00 C ATOM 965 C ARG A 67 12.225 -8.247 9.306 1.00 0.00 C ATOM 966 O ARG A 67 12.828 -7.758 10.260 1.00 0.00 O ATOM 967 CB ARG A 67 10.934 -10.330 9.806 1.00 0.00 C ATOM 968 CG ARG A 67 10.977 -11.838 9.993 1.00 0.00 C ATOM 969 CD ARG A 67 10.043 -12.545 9.023 1.00 0.00 C ATOM 970 NE ARG A 67 9.051 -13.361 9.718 1.00 0.00 N ATOM 971 CZ ARG A 67 8.769 -14.618 9.388 1.00 0.00 C ATOM 972 NH1 ARG A 67 9.402 -15.202 8.380 1.00 0.00 N ATOM 973 NH2 ARG A 67 7.852 -15.292 10.069 1.00 0.00 N ATOM 0 H ARG A 67 13.666 -10.047 10.551 1.00 0.00 H new ATOM 0 HA ARG A 67 12.104 -9.980 8.046 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.825 -9.855 10.781 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.050 -10.070 9.224 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.996 -12.195 9.845 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.697 -12.087 11.017 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.535 -11.805 8.404 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.626 -13.176 8.352 1.00 0.00 H new ATOM 0 HE ARG A 67 8.546 -12.944 10.500 1.00 0.00 H new ATOM 0 HH11 ARG A 67 10.108 -14.687 7.854 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.183 -16.166 8.130 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.363 -14.846 10.845 1.00 0.00 H new ATOM 0 HH22 ARG A 67 7.635 -16.256 9.816 1.00 0.00 H new ATOM 987 N PRO A 68 11.594 -7.482 8.402 1.00 0.00 N ATOM 988 CA PRO A 68 11.580 -6.020 8.487 1.00 0.00 C ATOM 989 C PRO A 68 10.686 -5.514 9.612 1.00 0.00 C ATOM 990 O PRO A 68 9.864 -6.256 10.147 1.00 0.00 O ATOM 991 CB PRO A 68 11.030 -5.595 7.128 1.00 0.00 C ATOM 992 CG PRO A 68 10.188 -6.740 6.684 1.00 0.00 C ATOM 993 CD PRO A 68 10.847 -7.979 7.232 1.00 0.00 C ATOM 0 HA PRO A 68 12.566 -5.612 8.708 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.443 -4.680 7.207 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.835 -5.397 6.420 1.00 0.00 H new ATOM 0 HG2 PRO A 68 9.169 -6.643 7.058 1.00 0.00 H new ATOM 0 HG3 PRO A 68 10.126 -6.780 5.596 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.112 -8.733 7.515 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.509 -8.439 6.499 1.00 0.00 H new ATOM 1001 N THR A 69 10.855 -4.244 9.967 1.00 0.00 N ATOM 1002 CA THR A 69 10.063 -3.638 11.032 1.00 0.00 C ATOM 1003 C THR A 69 10.122 -2.114 10.966 1.00 0.00 C ATOM 1004 O THR A 69 9.220 -1.428 11.447 1.00 0.00 O ATOM 1005 CB THR A 69 10.545 -4.096 12.421 1.00 0.00 C ATOM 1006 OG1 THR A 69 9.827 -3.398 13.445 1.00 0.00 O ATOM 1007 CG2 THR A 69 12.038 -3.850 12.586 1.00 0.00 C ATOM 0 H THR A 69 11.532 -3.616 9.534 1.00 0.00 H new ATOM 0 HA THR A 69 9.034 -3.966 10.884 1.00 0.00 H new ATOM 0 HB THR A 69 10.357 -5.166 12.510 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.139 -3.697 14.325 1.00 0.00 H new ATOM 0 HG21 THR A 69 12.354 -4.182 13.575 1.00 0.00 H new ATOM 0 HG22 THR A 69 12.585 -4.406 11.825 1.00 0.00 H new ATOM 0 HG23 THR A 69 12.246 -2.786 12.477 1.00 0.00 H new ATOM 1015 N LYS A 70 11.188 -1.593 10.368 1.00 0.00 N ATOM 1016 CA LYS A 70 11.366 -0.150 10.242 1.00 0.00 C ATOM 1017 C LYS A 70 10.705 0.374 8.972 1.00 0.00 C ATOM 1018 O LYS A 70 9.999 -0.359 8.278 1.00 0.00 O ATOM 1019 CB LYS A 70 12.854 0.204 10.238 1.00 0.00 C ATOM 1020 CG LYS A 70 13.206 1.363 11.156 1.00 0.00 C ATOM 1021 CD LYS A 70 13.495 0.886 12.570 1.00 0.00 C ATOM 1022 CE LYS A 70 14.583 1.719 13.228 1.00 0.00 C ATOM 1023 NZ LYS A 70 14.018 2.749 14.142 1.00 0.00 N ATOM 0 H LYS A 70 11.942 -2.148 9.963 1.00 0.00 H new ATOM 0 HA LYS A 70 10.888 0.323 11.100 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.428 -0.673 10.537 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.157 0.452 9.221 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.077 1.888 10.763 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.383 2.078 11.173 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.584 0.939 13.166 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.800 -0.160 12.547 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.252 1.065 13.787 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.182 2.206 12.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 14.792 3.295 14.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 13.399 3.389 13.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 13.467 2.284 14.891 1.00 0.00 H new ATOM 1037 N SER A 71 10.937 1.650 8.674 1.00 0.00 N ATOM 1038 CA SER A 71 10.366 2.277 7.488 1.00 0.00 C ATOM 1039 C SER A 71 11.451 2.587 6.460 1.00 0.00 C ATOM 1040 O SER A 71 12.520 1.976 6.469 1.00 0.00 O ATOM 1041 CB SER A 71 9.625 3.559 7.873 1.00 0.00 C ATOM 1042 OG SER A 71 8.269 3.292 8.185 1.00 0.00 O ATOM 0 H SER A 71 11.517 2.270 9.239 1.00 0.00 H new ATOM 0 HA SER A 71 9.659 1.578 7.040 1.00 0.00 H new ATOM 0 HB2 SER A 71 10.114 4.022 8.730 1.00 0.00 H new ATOM 0 HB3 SER A 71 9.678 4.274 7.052 1.00 0.00 H new ATOM 0 HG SER A 71 7.819 4.128 8.429 1.00 0.00 H new ATOM 1048 N ASP A 72 11.170 3.540 5.575 1.00 0.00 N ATOM 1049 CA ASP A 72 12.121 3.931 4.541 1.00 0.00 C ATOM 1050 C ASP A 72 13.414 4.458 5.155 1.00 0.00 C ATOM 1051 O ASP A 72 14.452 4.507 4.493 1.00 0.00 O ATOM 1052 CB ASP A 72 11.506 4.996 3.631 1.00 0.00 C ATOM 1053 CG ASP A 72 10.542 5.904 4.368 1.00 0.00 C ATOM 1054 OD1 ASP A 72 10.926 6.444 5.427 1.00 0.00 O ATOM 1055 OD2 ASP A 72 9.401 6.074 3.889 1.00 0.00 O ATOM 0 H ASP A 72 10.290 4.056 5.554 1.00 0.00 H new ATOM 0 HA ASP A 72 12.357 3.046 3.950 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.302 5.597 3.191 1.00 0.00 H new ATOM 0 HB3 ASP A 72 10.983 4.508 2.808 1.00 0.00 H new ATOM 1060 N GLY A 73 13.346 4.851 6.424 1.00 0.00 N ATOM 1061 CA GLY A 73 14.518 5.369 7.106 1.00 0.00 C ATOM 1062 C GLY A 73 15.633 4.344 7.204 1.00 0.00 C ATOM 1063 O GLY A 73 16.812 4.700 7.225 1.00 0.00 O ATOM 0 H GLY A 73 12.499 4.820 6.992 1.00 0.00 H new ATOM 0 HA2 GLY A 73 14.883 6.249 6.577 1.00 0.00 H new ATOM 0 HA3 GLY A 73 14.238 5.693 8.108 1.00 0.00 H new ATOM 1067 N ALA A 74 15.257 3.070 7.263 1.00 0.00 N ATOM 1068 CA ALA A 74 16.231 1.989 7.359 1.00 0.00 C ATOM 1069 C ALA A 74 16.578 1.438 5.981 1.00 0.00 C ATOM 1070 O ALA A 74 15.874 1.696 5.004 1.00 0.00 O ATOM 1071 CB ALA A 74 15.698 0.878 8.249 1.00 0.00 C ATOM 0 H ALA A 74 14.285 2.761 7.246 1.00 0.00 H new ATOM 0 HA ALA A 74 17.141 2.393 7.802 1.00 0.00 H new ATOM 0 HB1 ALA A 74 16.435 0.077 8.312 1.00 0.00 H new ATOM 0 HB2 ALA A 74 15.504 1.272 9.247 1.00 0.00 H new ATOM 0 HB3 ALA A 74 14.772 0.487 7.827 1.00 0.00 H new ATOM 1077 N VAL A 75 17.667 0.679 5.910 1.00 0.00 N ATOM 1078 CA VAL A 75 18.107 0.089 4.652 1.00 0.00 C ATOM 1079 C VAL A 75 19.114 -1.035 4.893 1.00 0.00 C ATOM 1080 O VAL A 75 20.117 -0.847 5.581 1.00 0.00 O ATOM 1081 CB VAL A 75 18.736 1.148 3.725 1.00 0.00 C ATOM 1082 CG1 VAL A 75 19.893 1.853 4.417 1.00 0.00 C ATOM 1083 CG2 VAL A 75 19.191 0.514 2.420 1.00 0.00 C ATOM 0 H VAL A 75 18.261 0.458 6.710 1.00 0.00 H new ATOM 0 HA VAL A 75 17.222 -0.323 4.167 1.00 0.00 H new ATOM 0 HB VAL A 75 17.976 1.895 3.494 1.00 0.00 H new ATOM 0 HG11 VAL A 75 20.321 2.596 3.744 1.00 0.00 H new ATOM 0 HG12 VAL A 75 19.531 2.346 5.319 1.00 0.00 H new ATOM 0 HG13 VAL A 75 20.657 1.123 4.684 1.00 0.00 H new ATOM 0 HG21 VAL A 75 19.632 1.277 1.779 1.00 0.00 H new ATOM 0 HG22 VAL A 75 19.932 -0.257 2.629 1.00 0.00 H new ATOM 0 HG23 VAL A 75 18.335 0.067 1.915 1.00 0.00 H new ATOM 1093 N SER A 76 18.834 -2.205 4.325 1.00 0.00 N ATOM 1094 CA SER A 76 19.712 -3.359 4.482 1.00 0.00 C ATOM 1095 C SER A 76 20.383 -3.720 3.161 1.00 0.00 C ATOM 1096 O SER A 76 20.177 -3.055 2.147 1.00 0.00 O ATOM 1097 CB SER A 76 18.921 -4.558 5.009 1.00 0.00 C ATOM 1098 OG SER A 76 17.793 -4.824 4.194 1.00 0.00 O ATOM 0 H SER A 76 18.007 -2.378 3.753 1.00 0.00 H new ATOM 0 HA SER A 76 20.488 -3.097 5.201 1.00 0.00 H new ATOM 0 HB2 SER A 76 19.565 -5.437 5.041 1.00 0.00 H new ATOM 0 HB3 SER A 76 18.597 -4.363 6.031 1.00 0.00 H new ATOM 0 HG SER A 76 17.306 -5.596 4.551 1.00 0.00 H new ATOM 1104 N GLY A 77 21.187 -4.780 3.183 1.00 0.00 N ATOM 1105 CA GLY A 77 21.877 -5.212 1.982 1.00 0.00 C ATOM 1106 C GLY A 77 22.425 -6.622 2.104 1.00 0.00 C ATOM 1107 O GLY A 77 22.134 -7.325 3.072 1.00 0.00 O ATOM 0 H GLY A 77 21.372 -5.346 4.011 1.00 0.00 H new ATOM 0 HA2 GLY A 77 21.192 -5.164 1.136 1.00 0.00 H new ATOM 0 HA3 GLY A 77 22.696 -4.524 1.769 1.00 0.00 H new