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 Single : A 19 SER OG : rot 180:sc= -0.324 USER MOD Single : A 21 THR OG1 : rot -89:sc= -0.503 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0.0622 USER MOD Single : A 35 GLN : amide:sc= -0.312 X(o=-0.31,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.15 K(o=-0.15,f=-2.3!) USER MOD Single : A 43 LYS NZ :NH3+ -151:sc= -0.111 (180deg=-0.68) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 119:sc= -1.56 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -150:sc= -0.1 (180deg=-0.609) USER MOD Single : A 58 SER OG : rot 180:sc= -0.0452 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0902 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0.00909 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 268 N VAL A 18 13.687 -0.883 4.007 1.00 0.00 N ATOM 269 CA VAL A 18 13.203 -1.475 5.250 1.00 0.00 C ATOM 270 C VAL A 18 14.356 -2.020 6.087 1.00 0.00 C ATOM 271 O VAL A 18 15.377 -2.449 5.551 1.00 0.00 O ATOM 272 CB VAL A 18 12.202 -2.615 4.978 1.00 0.00 C ATOM 273 CG1 VAL A 18 11.353 -2.884 6.212 1.00 0.00 C ATOM 274 CG2 VAL A 18 11.326 -2.286 3.779 1.00 0.00 C ATOM 0 HA VAL A 18 12.700 -0.681 5.801 1.00 0.00 H new ATOM 0 HB VAL A 18 12.764 -3.520 4.747 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.652 -3.692 6.002 1.00 0.00 H new ATOM 0 HG12 VAL A 18 11.998 -3.170 7.042 1.00 0.00 H new ATOM 0 HG13 VAL A 18 10.800 -1.983 6.477 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.627 -3.104 3.604 1.00 0.00 H new ATOM 0 HG22 VAL A 18 10.771 -1.369 3.975 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.952 -2.149 2.897 1.00 0.00 H new ATOM 284 N SER A 19 14.182 -2.002 7.405 1.00 0.00 N ATOM 285 CA SER A 19 15.203 -2.498 8.320 1.00 0.00 C ATOM 286 C SER A 19 14.968 -3.969 8.643 1.00 0.00 C ATOM 287 O SER A 19 14.160 -4.634 7.996 1.00 0.00 O ATOM 288 CB SER A 19 15.207 -1.674 9.610 1.00 0.00 C ATOM 289 OG SER A 19 14.038 -0.880 9.713 1.00 0.00 O ATOM 0 H SER A 19 13.342 -1.649 7.863 1.00 0.00 H new ATOM 0 HA SER A 19 16.173 -2.399 7.833 1.00 0.00 H new ATOM 0 HB2 SER A 19 15.275 -2.340 10.470 1.00 0.00 H new ATOM 0 HB3 SER A 19 16.088 -1.033 9.633 1.00 0.00 H new ATOM 0 HG SER A 19 14.065 -0.365 10.546 1.00 0.00 H new ATOM 295 N PHE A 20 15.677 -4.473 9.650 1.00 0.00 N ATOM 296 CA PHE A 20 15.539 -5.867 10.053 1.00 0.00 C ATOM 297 C PHE A 20 15.459 -5.995 11.570 1.00 0.00 C ATOM 298 O PHE A 20 15.992 -5.162 12.303 1.00 0.00 O ATOM 299 CB PHE A 20 16.706 -6.698 9.517 1.00 0.00 C ATOM 300 CG PHE A 20 16.432 -7.332 8.181 1.00 0.00 C ATOM 301 CD1 PHE A 20 15.157 -7.761 7.846 1.00 0.00 C ATOM 302 CD2 PHE A 20 17.453 -7.499 7.260 1.00 0.00 C ATOM 303 CE1 PHE A 20 14.905 -8.341 6.620 1.00 0.00 C ATOM 304 CE2 PHE A 20 17.207 -8.079 6.031 1.00 0.00 C ATOM 305 CZ PHE A 20 15.933 -8.500 5.710 1.00 0.00 C ATOM 0 H PHE A 20 16.350 -3.938 10.199 1.00 0.00 H new ATOM 0 HA PHE A 20 14.610 -6.247 9.628 1.00 0.00 H new ATOM 0 HB2 PHE A 20 17.586 -6.061 9.433 1.00 0.00 H new ATOM 0 HB3 PHE A 20 16.946 -7.480 10.238 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.351 -7.640 8.554 1.00 0.00 H new ATOM 0 HD2 PHE A 20 18.453 -7.172 7.506 1.00 0.00 H new ATOM 0 HE1 PHE A 20 13.907 -8.670 6.372 1.00 0.00 H new ATOM 0 HE2 PHE A 20 18.012 -8.203 5.321 1.00 0.00 H new ATOM 0 HZ PHE A 20 15.739 -8.953 4.749 1.00 0.00 H new ATOM 315 N THR A 21 14.791 -7.046 12.033 1.00 0.00 N ATOM 316 CA THR A 21 14.639 -7.289 13.462 1.00 0.00 C ATOM 317 C THR A 21 14.221 -8.730 13.730 1.00 0.00 C ATOM 318 O THR A 21 13.907 -9.478 12.803 1.00 0.00 O ATOM 319 CB THR A 21 13.600 -6.336 14.086 1.00 0.00 C ATOM 320 OG1 THR A 21 13.273 -6.760 15.414 1.00 0.00 O ATOM 321 CG2 THR A 21 12.337 -6.283 13.240 1.00 0.00 C ATOM 0 H THR A 21 14.346 -7.744 11.438 1.00 0.00 H new ATOM 0 HA THR A 21 15.610 -7.104 13.922 1.00 0.00 H new ATOM 0 HB THR A 21 14.037 -5.338 14.124 1.00 0.00 H new ATOM 0 HG1 THR A 21 12.525 -7.392 15.381 1.00 0.00 H new ATOM 0 HG21 THR A 21 11.619 -5.604 13.700 1.00 0.00 H new ATOM 0 HG22 THR A 21 12.584 -5.926 12.240 1.00 0.00 H new ATOM 0 HG23 THR A 21 11.902 -7.280 13.173 1.00 0.00 H new ATOM 329 N GLY A 22 14.220 -9.114 15.002 1.00 0.00 N ATOM 330 CA GLY A 22 13.841 -10.466 15.369 1.00 0.00 C ATOM 331 C GLY A 22 14.994 -11.442 15.241 1.00 0.00 C ATOM 332 O GLY A 22 15.176 -12.312 16.094 1.00 0.00 O ATOM 0 H GLY A 22 14.475 -8.513 15.786 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.475 -10.472 16.396 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.018 -10.795 14.735 1.00 0.00 H new ATOM 336 N GLY A 23 15.773 -11.296 14.173 1.00 0.00 N ATOM 337 CA GLY A 23 16.906 -12.176 13.955 1.00 0.00 C ATOM 338 C GLY A 23 17.993 -11.987 14.993 1.00 0.00 C ATOM 339 O GLY A 23 17.872 -11.141 15.881 1.00 0.00 O ATOM 0 H GLY A 23 15.639 -10.584 13.455 1.00 0.00 H new ATOM 0 HA2 GLY A 23 16.567 -13.212 13.973 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.319 -11.993 12.963 1.00 0.00 H new ATOM 343 N LYS A 24 19.057 -12.776 14.886 1.00 0.00 N ATOM 344 CA LYS A 24 20.168 -12.691 15.824 1.00 0.00 C ATOM 345 C LYS A 24 21.428 -12.178 15.136 1.00 0.00 C ATOM 346 O LYS A 24 22.274 -12.962 14.705 1.00 0.00 O ATOM 347 CB LYS A 24 20.434 -14.061 16.452 1.00 0.00 C ATOM 348 CG LYS A 24 19.729 -14.269 17.782 1.00 0.00 C ATOM 349 CD LYS A 24 20.721 -14.536 18.903 1.00 0.00 C ATOM 350 CE LYS A 24 20.067 -14.408 20.268 1.00 0.00 C ATOM 351 NZ LYS A 24 19.935 -15.727 20.948 1.00 0.00 N ATOM 0 H LYS A 24 19.172 -13.481 14.158 1.00 0.00 H new ATOM 0 HA LYS A 24 19.896 -11.985 16.608 1.00 0.00 H new ATOM 0 HB2 LYS A 24 20.116 -14.838 15.757 1.00 0.00 H new ATOM 0 HB3 LYS A 24 21.507 -14.183 16.597 1.00 0.00 H new ATOM 0 HG2 LYS A 24 19.136 -13.387 18.022 1.00 0.00 H new ATOM 0 HG3 LYS A 24 19.036 -15.107 17.701 1.00 0.00 H new ATOM 0 HD2 LYS A 24 21.138 -15.537 18.791 1.00 0.00 H new ATOM 0 HD3 LYS A 24 21.552 -13.835 18.829 1.00 0.00 H new ATOM 0 HE2 LYS A 24 20.657 -13.736 20.891 1.00 0.00 H new ATOM 0 HE3 LYS A 24 19.081 -13.957 20.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 19.484 -15.596 21.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 19.351 -16.361 20.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 20.878 -16.147 21.077 1.00 0.00 H new ATOM 365 N ALA A 25 21.549 -10.857 15.040 1.00 0.00 N ATOM 366 CA ALA A 25 22.708 -10.239 14.407 1.00 0.00 C ATOM 367 C ALA A 25 23.990 -10.615 15.141 1.00 0.00 C ATOM 368 O ALA A 25 24.136 -10.341 16.332 1.00 0.00 O ATOM 369 CB ALA A 25 22.547 -8.726 14.369 1.00 0.00 C ATOM 0 H ALA A 25 20.858 -10.195 15.393 1.00 0.00 H new ATOM 0 HA ALA A 25 22.776 -10.610 13.385 1.00 0.00 H new ATOM 0 HB1 ALA A 25 23.420 -8.279 13.894 1.00 0.00 H new ATOM 0 HB2 ALA A 25 21.653 -8.469 13.801 1.00 0.00 H new ATOM 0 HB3 ALA A 25 22.452 -8.345 15.386 1.00 0.00 H new ATOM 375 N ILE A 26 24.919 -11.242 14.425 1.00 0.00 N ATOM 376 CA ILE A 26 26.187 -11.648 15.019 1.00 0.00 C ATOM 377 C ILE A 26 27.027 -10.430 15.378 1.00 0.00 C ATOM 378 O ILE A 26 27.980 -10.523 16.151 1.00 0.00 O ATOM 379 CB ILE A 26 26.995 -12.570 14.079 1.00 0.00 C ATOM 380 CG1 ILE A 26 27.630 -11.763 12.939 1.00 0.00 C ATOM 381 CG2 ILE A 26 26.108 -13.680 13.532 1.00 0.00 C ATOM 382 CD1 ILE A 26 26.670 -11.398 11.828 1.00 0.00 C ATOM 0 H ILE A 26 24.818 -11.479 13.438 1.00 0.00 H new ATOM 0 HA ILE A 26 25.949 -12.207 15.924 1.00 0.00 H new ATOM 0 HB ILE A 26 27.800 -13.028 14.654 1.00 0.00 H new ATOM 0 HG12 ILE A 26 28.057 -10.848 13.350 1.00 0.00 H new ATOM 0 HG13 ILE A 26 28.454 -12.338 12.517 1.00 0.00 H new ATOM 0 HG21 ILE A 26 26.692 -14.321 12.872 1.00 0.00 H new ATOM 0 HG22 ILE A 26 25.715 -14.273 14.358 1.00 0.00 H new ATOM 0 HG23 ILE A 26 25.280 -13.243 12.974 1.00 0.00 H new ATOM 0 HD11 ILE A 26 27.198 -10.829 11.063 1.00 0.00 H new ATOM 0 HD12 ILE A 26 26.261 -12.307 11.387 1.00 0.00 H new ATOM 0 HD13 ILE A 26 25.858 -10.794 12.233 1.00 0.00 H new ATOM 394 N SER A 27 26.661 -9.285 14.809 1.00 0.00 N ATOM 395 CA SER A 27 27.371 -8.040 15.064 1.00 0.00 C ATOM 396 C SER A 27 26.567 -6.851 14.564 1.00 0.00 C ATOM 397 O SER A 27 25.888 -6.929 13.541 1.00 0.00 O ATOM 398 CB SER A 27 28.742 -8.059 14.392 1.00 0.00 C ATOM 399 OG SER A 27 29.745 -7.559 15.260 1.00 0.00 O ATOM 0 H SER A 27 25.874 -9.196 14.166 1.00 0.00 H new ATOM 0 HA SER A 27 27.507 -7.943 16.141 1.00 0.00 H new ATOM 0 HB2 SER A 27 28.990 -9.078 14.094 1.00 0.00 H new ATOM 0 HB3 SER A 27 28.712 -7.459 13.482 1.00 0.00 H new ATOM 0 HG SER A 27 30.613 -7.584 14.806 1.00 0.00 H new ATOM 405 N GLU A 28 26.649 -5.752 15.299 1.00 0.00 N ATOM 406 CA GLU A 28 25.932 -4.537 14.946 1.00 0.00 C ATOM 407 C GLU A 28 26.797 -3.315 15.230 1.00 0.00 C ATOM 408 O GLU A 28 27.449 -3.234 16.271 1.00 0.00 O ATOM 409 CB GLU A 28 24.629 -4.442 15.736 1.00 0.00 C ATOM 410 CG GLU A 28 24.202 -5.752 16.381 1.00 0.00 C ATOM 411 CD GLU A 28 23.742 -5.574 17.814 1.00 0.00 C ATOM 412 OE1 GLU A 28 24.607 -5.527 18.714 1.00 0.00 O ATOM 413 OE2 GLU A 28 22.517 -5.483 18.038 1.00 0.00 O ATOM 0 H GLU A 28 27.209 -5.677 16.148 1.00 0.00 H new ATOM 0 HA GLU A 28 25.699 -4.569 13.882 1.00 0.00 H new ATOM 0 HB2 GLU A 28 24.741 -3.686 16.513 1.00 0.00 H new ATOM 0 HB3 GLU A 28 23.836 -4.101 15.070 1.00 0.00 H new ATOM 0 HG2 GLU A 28 23.395 -6.194 15.797 1.00 0.00 H new ATOM 0 HG3 GLU A 28 25.036 -6.454 16.356 1.00 0.00 H new ATOM 420 N ALA A 29 26.801 -2.370 14.301 1.00 0.00 N ATOM 421 CA ALA A 29 27.594 -1.155 14.456 1.00 0.00 C ATOM 422 C ALA A 29 26.718 0.092 14.400 1.00 0.00 C ATOM 423 O ALA A 29 26.216 0.458 13.341 1.00 0.00 O ATOM 424 CB ALA A 29 28.671 -1.089 13.386 1.00 0.00 C ATOM 0 H ALA A 29 26.266 -2.419 13.434 1.00 0.00 H new ATOM 0 HA ALA A 29 28.068 -1.188 15.437 1.00 0.00 H new ATOM 0 HB1 ALA A 29 29.255 -0.178 13.513 1.00 0.00 H new ATOM 0 HB2 ALA A 29 29.326 -1.955 13.475 1.00 0.00 H new ATOM 0 HB3 ALA A 29 28.205 -1.087 12.401 1.00 0.00 H new ATOM 430 N LYS A 30 26.545 0.743 15.546 1.00 0.00 N ATOM 431 CA LYS A 30 25.734 1.954 15.621 1.00 0.00 C ATOM 432 C LYS A 30 26.309 3.046 14.722 1.00 0.00 C ATOM 433 O LYS A 30 27.208 3.785 15.123 1.00 0.00 O ATOM 434 CB LYS A 30 25.651 2.454 17.066 1.00 0.00 C ATOM 435 CG LYS A 30 26.961 2.339 17.828 1.00 0.00 C ATOM 436 CD LYS A 30 27.332 3.649 18.502 1.00 0.00 C ATOM 437 CE LYS A 30 26.785 3.721 19.919 1.00 0.00 C ATOM 438 NZ LYS A 30 26.058 4.996 20.170 1.00 0.00 N ATOM 0 H LYS A 30 26.955 0.453 16.434 1.00 0.00 H new ATOM 0 HA LYS A 30 24.730 1.712 15.274 1.00 0.00 H new ATOM 0 HB2 LYS A 30 25.333 3.497 17.063 1.00 0.00 H new ATOM 0 HB3 LYS A 30 24.883 1.888 17.593 1.00 0.00 H new ATOM 0 HG2 LYS A 30 26.878 1.553 18.579 1.00 0.00 H new ATOM 0 HG3 LYS A 30 27.756 2.043 17.144 1.00 0.00 H new ATOM 0 HD2 LYS A 30 28.417 3.754 18.524 1.00 0.00 H new ATOM 0 HD3 LYS A 30 26.943 4.483 17.918 1.00 0.00 H new ATOM 0 HE2 LYS A 30 26.113 2.880 20.092 1.00 0.00 H new ATOM 0 HE3 LYS A 30 27.606 3.625 20.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 25.701 5.006 21.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 26.705 5.798 20.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 25.259 5.076 19.509 1.00 0.00 H new ATOM 452 N ALA A 31 25.787 3.137 13.502 1.00 0.00 N ATOM 453 CA ALA A 31 26.251 4.133 12.545 1.00 0.00 C ATOM 454 C ALA A 31 25.081 4.827 11.856 1.00 0.00 C ATOM 455 O ALA A 31 23.961 4.318 11.852 1.00 0.00 O ATOM 456 CB ALA A 31 27.159 3.483 11.512 1.00 0.00 C ATOM 0 H ALA A 31 25.043 2.533 13.154 1.00 0.00 H new ATOM 0 HA ALA A 31 26.815 4.889 13.092 1.00 0.00 H new ATOM 0 HB1 ALA A 31 27.500 4.236 10.802 1.00 0.00 H new ATOM 0 HB2 ALA A 31 28.020 3.040 12.012 1.00 0.00 H new ATOM 0 HB3 ALA A 31 26.608 2.707 10.981 1.00 0.00 H new ATOM 462 N ALA A 32 25.351 5.990 11.272 1.00 0.00 N ATOM 463 CA ALA A 32 24.321 6.755 10.579 1.00 0.00 C ATOM 464 C ALA A 32 24.397 6.540 9.071 1.00 0.00 C ATOM 465 O ALA A 32 23.475 6.894 8.336 1.00 0.00 O ATOM 466 CB ALA A 32 24.450 8.234 10.909 1.00 0.00 C ATOM 0 H ALA A 32 26.274 6.423 11.265 1.00 0.00 H new ATOM 0 HA ALA A 32 23.349 6.400 10.922 1.00 0.00 H new ATOM 0 HB1 ALA A 32 23.675 8.793 10.385 1.00 0.00 H new ATOM 0 HB2 ALA A 32 24.337 8.378 11.984 1.00 0.00 H new ATOM 0 HB3 ALA A 32 25.430 8.593 10.596 1.00 0.00 H new ATOM 472 N SER A 33 25.503 5.958 8.615 1.00 0.00 N ATOM 473 CA SER A 33 25.699 5.695 7.194 1.00 0.00 C ATOM 474 C SER A 33 26.206 4.274 6.970 1.00 0.00 C ATOM 475 O SER A 33 26.975 3.746 7.774 1.00 0.00 O ATOM 476 CB SER A 33 26.684 6.701 6.599 1.00 0.00 C ATOM 477 OG SER A 33 27.615 7.142 7.572 1.00 0.00 O ATOM 0 H SER A 33 26.276 5.660 9.209 1.00 0.00 H new ATOM 0 HA SER A 33 24.737 5.801 6.693 1.00 0.00 H new ATOM 0 HB2 SER A 33 27.215 6.244 5.764 1.00 0.00 H new ATOM 0 HB3 SER A 33 26.138 7.556 6.200 1.00 0.00 H new ATOM 0 HG SER A 33 28.234 7.783 7.165 1.00 0.00 H new ATOM 483 N SER A 34 25.771 3.660 5.874 1.00 0.00 N ATOM 484 CA SER A 34 26.181 2.300 5.546 1.00 0.00 C ATOM 485 C SER A 34 27.691 2.209 5.374 1.00 0.00 C ATOM 486 O SER A 34 28.284 1.151 5.581 1.00 0.00 O ATOM 487 CB SER A 34 25.489 1.827 4.272 1.00 0.00 C ATOM 488 OG SER A 34 24.220 2.438 4.120 1.00 0.00 O ATOM 0 H SER A 34 25.135 4.083 5.198 1.00 0.00 H new ATOM 0 HA SER A 34 25.887 1.655 6.374 1.00 0.00 H new ATOM 0 HB2 SER A 34 26.113 2.059 3.409 1.00 0.00 H new ATOM 0 HB3 SER A 34 25.373 0.744 4.299 1.00 0.00 H new ATOM 0 HG SER A 34 23.800 2.118 3.295 1.00 0.00 H new ATOM 494 N GLN A 35 28.306 3.323 4.991 1.00 0.00 N ATOM 495 CA GLN A 35 29.749 3.371 4.789 1.00 0.00 C ATOM 496 C GLN A 35 30.477 2.804 6.005 1.00 0.00 C ATOM 497 O GLN A 35 31.443 2.052 5.871 1.00 0.00 O ATOM 498 CB GLN A 35 30.192 4.811 4.514 1.00 0.00 C ATOM 499 CG GLN A 35 31.583 5.145 5.030 1.00 0.00 C ATOM 500 CD GLN A 35 31.551 5.989 6.289 1.00 0.00 C ATOM 501 OE1 GLN A 35 31.153 7.153 6.260 1.00 0.00 O ATOM 502 NE2 GLN A 35 31.973 5.403 7.404 1.00 0.00 N ATOM 0 H GLN A 35 27.827 4.206 4.814 1.00 0.00 H new ATOM 0 HA GLN A 35 30.005 2.758 3.925 1.00 0.00 H new ATOM 0 HB2 GLN A 35 30.163 4.989 3.439 1.00 0.00 H new ATOM 0 HB3 GLN A 35 29.474 5.493 4.970 1.00 0.00 H new ATOM 0 HG2 GLN A 35 32.124 4.220 5.231 1.00 0.00 H new ATOM 0 HG3 GLN A 35 32.136 5.676 4.255 1.00 0.00 H new ATOM 0 HE21 GLN A 35 32.294 4.435 7.381 1.00 0.00 H new ATOM 0 HE22 GLN A 35 31.976 5.921 8.283 1.00 0.00 H new ATOM 511 N ALA A 36 29.994 3.160 7.190 1.00 0.00 N ATOM 512 CA ALA A 36 30.586 2.677 8.430 1.00 0.00 C ATOM 513 C ALA A 36 30.280 1.198 8.625 1.00 0.00 C ATOM 514 O ALA A 36 31.114 0.436 9.113 1.00 0.00 O ATOM 515 CB ALA A 36 30.078 3.488 9.612 1.00 0.00 C ATOM 0 H ALA A 36 29.195 3.781 7.317 1.00 0.00 H new ATOM 0 HA ALA A 36 31.667 2.799 8.368 1.00 0.00 H new ATOM 0 HB1 ALA A 36 30.530 3.114 10.531 1.00 0.00 H new ATOM 0 HB2 ALA A 36 30.346 4.536 9.476 1.00 0.00 H new ATOM 0 HB3 ALA A 36 28.994 3.396 9.677 1.00 0.00 H new ATOM 521 N CYS A 37 29.075 0.799 8.226 1.00 0.00 N ATOM 522 CA CYS A 37 28.649 -0.587 8.341 1.00 0.00 C ATOM 523 C CYS A 37 29.433 -1.468 7.374 1.00 0.00 C ATOM 524 O CYS A 37 29.555 -2.676 7.576 1.00 0.00 O ATOM 525 CB CYS A 37 27.150 -0.703 8.054 1.00 0.00 C ATOM 526 SG CYS A 37 26.181 0.768 8.522 1.00 0.00 S ATOM 0 H CYS A 37 28.376 1.421 7.819 1.00 0.00 H new ATOM 0 HA CYS A 37 28.844 -0.925 9.359 1.00 0.00 H new ATOM 0 HB2 CYS A 37 27.009 -0.893 6.990 1.00 0.00 H new ATOM 0 HB3 CYS A 37 26.756 -1.568 8.587 1.00 0.00 H new ATOM 531 N GLN A 38 29.964 -0.850 6.323 1.00 0.00 N ATOM 532 CA GLN A 38 30.743 -1.569 5.323 1.00 0.00 C ATOM 533 C GLN A 38 32.127 -1.903 5.862 1.00 0.00 C ATOM 534 O GLN A 38 32.565 -3.052 5.810 1.00 0.00 O ATOM 535 CB GLN A 38 30.864 -0.738 4.044 1.00 0.00 C ATOM 536 CG GLN A 38 29.561 -0.615 3.271 1.00 0.00 C ATOM 537 CD GLN A 38 29.396 -1.702 2.227 1.00 0.00 C ATOM 538 OE1 GLN A 38 30.350 -2.399 1.881 1.00 0.00 O ATOM 539 NE2 GLN A 38 28.178 -1.852 1.717 1.00 0.00 N ATOM 0 H GLN A 38 29.868 0.149 6.143 1.00 0.00 H new ATOM 0 HA GLN A 38 30.226 -2.500 5.090 1.00 0.00 H new ATOM 0 HB2 GLN A 38 31.219 0.260 4.302 1.00 0.00 H new ATOM 0 HB3 GLN A 38 31.618 -1.188 3.399 1.00 0.00 H new ATOM 0 HG2 GLN A 38 28.724 -0.656 3.968 1.00 0.00 H new ATOM 0 HG3 GLN A 38 29.522 0.360 2.784 1.00 0.00 H new ATOM 0 HE21 GLN A 38 27.416 -1.252 2.033 1.00 0.00 H new ATOM 0 HE22 GLN A 38 28.006 -2.567 1.010 1.00 0.00 H new ATOM 548 N GLU A 39 32.811 -0.889 6.385 1.00 0.00 N ATOM 549 CA GLU A 39 34.146 -1.077 6.942 1.00 0.00 C ATOM 550 C GLU A 39 34.089 -1.976 8.172 1.00 0.00 C ATOM 551 O GLU A 39 35.029 -2.718 8.456 1.00 0.00 O ATOM 552 CB GLU A 39 34.765 0.273 7.308 1.00 0.00 C ATOM 553 CG GLU A 39 35.520 0.926 6.161 1.00 0.00 C ATOM 554 CD GLU A 39 36.867 0.279 5.906 1.00 0.00 C ATOM 555 OE1 GLU A 39 37.755 0.390 6.778 1.00 0.00 O ATOM 556 OE2 GLU A 39 37.035 -0.339 4.834 1.00 0.00 O ATOM 0 H GLU A 39 32.463 0.069 6.434 1.00 0.00 H new ATOM 0 HA GLU A 39 34.769 -1.557 6.187 1.00 0.00 H new ATOM 0 HB2 GLU A 39 33.976 0.946 7.643 1.00 0.00 H new ATOM 0 HB3 GLU A 39 35.445 0.136 8.149 1.00 0.00 H new ATOM 0 HG2 GLU A 39 34.917 0.869 5.255 1.00 0.00 H new ATOM 0 HG3 GLU A 39 35.665 1.983 6.382 1.00 0.00 H new ATOM 563 N LEU A 40 32.974 -1.907 8.892 1.00 0.00 N ATOM 564 CA LEU A 40 32.783 -2.718 10.087 1.00 0.00 C ATOM 565 C LEU A 40 32.630 -4.189 9.712 1.00 0.00 C ATOM 566 O LEU A 40 33.374 -5.044 10.191 1.00 0.00 O ATOM 567 CB LEU A 40 31.549 -2.232 10.861 1.00 0.00 C ATOM 568 CG LEU A 40 31.136 -3.074 12.078 1.00 0.00 C ATOM 569 CD1 LEU A 40 30.137 -4.147 11.671 1.00 0.00 C ATOM 570 CD2 LEU A 40 32.346 -3.699 12.755 1.00 0.00 C ATOM 0 H LEU A 40 32.188 -1.296 8.667 1.00 0.00 H new ATOM 0 HA LEU A 40 33.661 -2.615 10.725 1.00 0.00 H new ATOM 0 HB2 LEU A 40 31.736 -1.212 11.198 1.00 0.00 H new ATOM 0 HB3 LEU A 40 30.706 -2.191 10.171 1.00 0.00 H new ATOM 0 HG LEU A 40 30.659 -2.409 12.797 1.00 0.00 H new ATOM 0 HD11 LEU A 40 29.856 -4.733 12.546 1.00 0.00 H new ATOM 0 HD12 LEU A 40 29.249 -3.676 11.249 1.00 0.00 H new ATOM 0 HD13 LEU A 40 30.589 -4.801 10.926 1.00 0.00 H new ATOM 0 HD21 LEU A 40 32.020 -4.288 13.612 1.00 0.00 H new ATOM 0 HD22 LEU A 40 32.866 -4.345 12.047 1.00 0.00 H new ATOM 0 HD23 LEU A 40 33.021 -2.912 13.091 1.00 0.00 H new ATOM 582 N CYS A 41 31.661 -4.473 8.849 1.00 0.00 N ATOM 583 CA CYS A 41 31.407 -5.837 8.406 1.00 0.00 C ATOM 584 C CYS A 41 32.622 -6.404 7.677 1.00 0.00 C ATOM 585 O CYS A 41 32.837 -7.617 7.661 1.00 0.00 O ATOM 586 CB CYS A 41 30.180 -5.873 7.495 1.00 0.00 C ATOM 587 SG CYS A 41 30.137 -7.290 6.350 1.00 0.00 S ATOM 0 H CYS A 41 31.038 -3.775 8.442 1.00 0.00 H new ATOM 0 HA CYS A 41 31.216 -6.455 9.284 1.00 0.00 H new ATOM 0 HB2 CYS A 41 29.283 -5.894 8.114 1.00 0.00 H new ATOM 0 HB3 CYS A 41 30.146 -4.951 6.915 1.00 0.00 H new ATOM 592 N GLU A 42 33.415 -5.521 7.079 1.00 0.00 N ATOM 593 CA GLU A 42 34.610 -5.934 6.354 1.00 0.00 C ATOM 594 C GLU A 42 35.644 -6.521 7.309 1.00 0.00 C ATOM 595 O GLU A 42 36.427 -7.395 6.934 1.00 0.00 O ATOM 596 CB GLU A 42 35.212 -4.748 5.599 1.00 0.00 C ATOM 597 CG GLU A 42 34.835 -4.709 4.127 1.00 0.00 C ATOM 598 CD GLU A 42 36.037 -4.527 3.223 1.00 0.00 C ATOM 599 OE1 GLU A 42 36.925 -5.406 3.230 1.00 0.00 O ATOM 600 OE2 GLU A 42 36.093 -3.505 2.506 1.00 0.00 O ATOM 0 H GLU A 42 33.251 -4.514 7.082 1.00 0.00 H new ATOM 0 HA GLU A 42 34.323 -6.702 5.636 1.00 0.00 H new ATOM 0 HB2 GLU A 42 34.886 -3.823 6.074 1.00 0.00 H new ATOM 0 HB3 GLU A 42 36.298 -4.786 5.686 1.00 0.00 H new ATOM 0 HG2 GLU A 42 34.323 -5.634 3.862 1.00 0.00 H new ATOM 0 HG3 GLU A 42 34.131 -3.895 3.957 1.00 0.00 H new ATOM 607 N LYS A 43 35.638 -6.035 8.546 1.00 0.00 N ATOM 608 CA LYS A 43 36.572 -6.509 9.560 1.00 0.00 C ATOM 609 C LYS A 43 36.032 -7.755 10.254 1.00 0.00 C ATOM 610 O LYS A 43 36.762 -8.448 10.964 1.00 0.00 O ATOM 611 CB LYS A 43 36.836 -5.411 10.592 1.00 0.00 C ATOM 612 CG LYS A 43 37.567 -4.206 10.024 1.00 0.00 C ATOM 613 CD LYS A 43 38.933 -4.028 10.667 1.00 0.00 C ATOM 614 CE LYS A 43 40.041 -4.015 9.627 1.00 0.00 C ATOM 615 NZ LYS A 43 40.024 -5.240 8.780 1.00 0.00 N ATOM 0 H LYS A 43 34.996 -5.312 8.870 1.00 0.00 H new ATOM 0 HA LYS A 43 37.509 -6.766 9.065 1.00 0.00 H new ATOM 0 HB2 LYS A 43 35.885 -5.084 11.013 1.00 0.00 H new ATOM 0 HB3 LYS A 43 37.421 -5.827 11.412 1.00 0.00 H new ATOM 0 HG2 LYS A 43 37.684 -4.325 8.947 1.00 0.00 H new ATOM 0 HG3 LYS A 43 36.969 -3.308 10.183 1.00 0.00 H new ATOM 0 HD2 LYS A 43 38.952 -3.096 11.232 1.00 0.00 H new ATOM 0 HD3 LYS A 43 39.109 -4.835 11.378 1.00 0.00 H new ATOM 0 HE2 LYS A 43 39.934 -3.134 8.994 1.00 0.00 H new ATOM 0 HE3 LYS A 43 41.006 -3.933 10.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 40.989 -5.450 8.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 39.665 -6.042 9.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 39.407 -5.085 7.958 1.00 0.00 H new ATOM 629 N ASP A 44 34.749 -8.034 10.042 1.00 0.00 N ATOM 630 CA ASP A 44 34.109 -9.197 10.646 1.00 0.00 C ATOM 631 C ASP A 44 34.025 -10.350 9.652 1.00 0.00 C ATOM 632 O ASP A 44 33.481 -10.201 8.557 1.00 0.00 O ATOM 633 CB ASP A 44 32.709 -8.833 11.142 1.00 0.00 C ATOM 634 CG ASP A 44 32.319 -9.603 12.390 1.00 0.00 C ATOM 635 OD1 ASP A 44 33.140 -9.666 13.329 1.00 0.00 O ATOM 636 OD2 ASP A 44 31.193 -10.142 12.427 1.00 0.00 O ATOM 0 H ASP A 44 34.133 -7.470 9.456 1.00 0.00 H new ATOM 0 HA ASP A 44 34.716 -9.516 11.493 1.00 0.00 H new ATOM 0 HB2 ASP A 44 32.667 -7.764 11.350 1.00 0.00 H new ATOM 0 HB3 ASP A 44 31.984 -9.033 10.353 1.00 0.00 H new ATOM 641 N ALA A 45 34.567 -11.500 10.040 1.00 0.00 N ATOM 642 CA ALA A 45 34.555 -12.679 9.184 1.00 0.00 C ATOM 643 C ALA A 45 33.292 -13.504 9.404 1.00 0.00 C ATOM 644 O ALA A 45 33.219 -14.666 9.001 1.00 0.00 O ATOM 645 CB ALA A 45 35.792 -13.528 9.436 1.00 0.00 C ATOM 0 H ALA A 45 35.020 -11.640 10.943 1.00 0.00 H new ATOM 0 HA ALA A 45 34.563 -12.344 8.147 1.00 0.00 H new ATOM 0 HB1 ALA A 45 35.769 -14.405 8.789 1.00 0.00 H new ATOM 0 HB2 ALA A 45 36.686 -12.942 9.221 1.00 0.00 H new ATOM 0 HB3 ALA A 45 35.809 -13.846 10.478 1.00 0.00 H new ATOM 651 N LYS A 46 32.298 -12.897 10.045 1.00 0.00 N ATOM 652 CA LYS A 46 31.036 -13.576 10.320 1.00 0.00 C ATOM 653 C LYS A 46 29.865 -12.820 9.700 1.00 0.00 C ATOM 654 O LYS A 46 28.705 -13.165 9.922 1.00 0.00 O ATOM 655 CB LYS A 46 30.826 -13.715 11.828 1.00 0.00 C ATOM 656 CG LYS A 46 31.678 -14.804 12.463 1.00 0.00 C ATOM 657 CD LYS A 46 30.908 -16.108 12.592 1.00 0.00 C ATOM 658 CE LYS A 46 30.606 -16.436 14.045 1.00 0.00 C ATOM 659 NZ LYS A 46 31.799 -16.980 14.751 1.00 0.00 N ATOM 0 H LYS A 46 32.342 -11.936 10.384 1.00 0.00 H new ATOM 0 HA LYS A 46 31.082 -14.569 9.873 1.00 0.00 H new ATOM 0 HB2 LYS A 46 31.052 -12.762 12.307 1.00 0.00 H new ATOM 0 HB3 LYS A 46 29.775 -13.928 12.022 1.00 0.00 H new ATOM 0 HG2 LYS A 46 32.572 -14.966 11.861 1.00 0.00 H new ATOM 0 HG3 LYS A 46 32.012 -14.478 13.448 1.00 0.00 H new ATOM 0 HD2 LYS A 46 29.975 -16.038 12.032 1.00 0.00 H new ATOM 0 HD3 LYS A 46 31.486 -16.918 12.148 1.00 0.00 H new ATOM 0 HE2 LYS A 46 30.260 -15.537 14.556 1.00 0.00 H new ATOM 0 HE3 LYS A 46 29.794 -17.162 14.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 31.552 -17.191 15.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 32.114 -17.852 14.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 32.566 -16.278 14.729 1.00 0.00 H new ATOM 673 N CYS A 47 30.178 -11.788 8.923 1.00 0.00 N ATOM 674 CA CYS A 47 29.150 -10.983 8.271 1.00 0.00 C ATOM 675 C CYS A 47 28.963 -11.411 6.819 1.00 0.00 C ATOM 676 O CYS A 47 29.934 -11.591 6.084 1.00 0.00 O ATOM 677 CB CYS A 47 29.517 -9.499 8.334 1.00 0.00 C ATOM 678 SG CYS A 47 28.664 -8.470 7.095 1.00 0.00 S ATOM 0 H CYS A 47 31.134 -11.489 8.729 1.00 0.00 H new ATOM 0 HA CYS A 47 28.211 -11.140 8.801 1.00 0.00 H new ATOM 0 HB2 CYS A 47 29.284 -9.120 9.329 1.00 0.00 H new ATOM 0 HB3 CYS A 47 30.594 -9.396 8.198 1.00 0.00 H new ATOM 683 N ARG A 48 27.707 -11.569 6.413 1.00 0.00 N ATOM 684 CA ARG A 48 27.388 -11.973 5.049 1.00 0.00 C ATOM 685 C ARG A 48 26.306 -11.074 4.459 1.00 0.00 C ATOM 686 O ARG A 48 26.354 -10.715 3.282 1.00 0.00 O ATOM 687 CB ARG A 48 26.930 -13.431 5.018 1.00 0.00 C ATOM 688 CG ARG A 48 27.671 -14.281 3.998 1.00 0.00 C ATOM 689 CD ARG A 48 28.848 -15.009 4.628 1.00 0.00 C ATOM 690 NE ARG A 48 30.106 -14.704 3.954 1.00 0.00 N ATOM 691 CZ ARG A 48 30.825 -15.603 3.288 1.00 0.00 C ATOM 692 NH1 ARG A 48 30.411 -16.860 3.209 1.00 0.00 N ATOM 693 NH2 ARG A 48 31.959 -15.245 2.702 1.00 0.00 N ATOM 0 H ARG A 48 26.893 -11.423 7.010 1.00 0.00 H new ATOM 0 HA ARG A 48 28.290 -11.873 4.445 1.00 0.00 H new ATOM 0 HB2 ARG A 48 27.065 -13.867 6.008 1.00 0.00 H new ATOM 0 HB3 ARG A 48 25.863 -13.463 4.799 1.00 0.00 H new ATOM 0 HG2 ARG A 48 26.985 -15.007 3.561 1.00 0.00 H new ATOM 0 HG3 ARG A 48 28.026 -13.648 3.185 1.00 0.00 H new ATOM 0 HD2 ARG A 48 28.924 -14.732 5.680 1.00 0.00 H new ATOM 0 HD3 ARG A 48 28.670 -16.084 4.593 1.00 0.00 H new ATOM 0 HE ARG A 48 30.454 -13.746 3.996 1.00 0.00 H new ATOM 0 HH11 ARG A 48 29.540 -17.139 3.659 1.00 0.00 H new ATOM 0 HH12 ARG A 48 30.964 -17.548 2.698 1.00 0.00 H new ATOM 0 HH21 ARG A 48 32.281 -14.279 2.762 1.00 0.00 H new ATOM 0 HH22 ARG A 48 32.509 -15.936 2.192 1.00 0.00 H new ATOM 707 N PHE A 49 25.331 -10.712 5.287 1.00 0.00 N ATOM 708 CA PHE A 49 24.235 -9.853 4.856 1.00 0.00 C ATOM 709 C PHE A 49 23.982 -8.747 5.876 1.00 0.00 C ATOM 710 O PHE A 49 23.164 -8.903 6.783 1.00 0.00 O ATOM 711 CB PHE A 49 22.958 -10.673 4.654 1.00 0.00 C ATOM 712 CG PHE A 49 23.158 -11.912 3.829 1.00 0.00 C ATOM 713 CD1 PHE A 49 23.177 -11.843 2.444 1.00 0.00 C ATOM 714 CD2 PHE A 49 23.323 -13.146 4.436 1.00 0.00 C ATOM 715 CE1 PHE A 49 23.359 -12.981 1.683 1.00 0.00 C ATOM 716 CE2 PHE A 49 23.504 -14.287 3.680 1.00 0.00 C ATOM 717 CZ PHE A 49 23.522 -14.206 2.301 1.00 0.00 C ATOM 0 H PHE A 49 25.278 -11.002 6.264 1.00 0.00 H new ATOM 0 HA PHE A 49 24.518 -9.397 3.907 1.00 0.00 H new ATOM 0 HB2 PHE A 49 22.561 -10.957 5.629 1.00 0.00 H new ATOM 0 HB3 PHE A 49 22.206 -10.046 4.175 1.00 0.00 H new ATOM 0 HD1 PHE A 49 23.048 -10.889 1.955 1.00 0.00 H new ATOM 0 HD2 PHE A 49 23.310 -13.217 5.514 1.00 0.00 H new ATOM 0 HE1 PHE A 49 23.374 -12.913 0.605 1.00 0.00 H new ATOM 0 HE2 PHE A 49 23.631 -15.243 4.167 1.00 0.00 H new ATOM 0 HZ PHE A 49 23.663 -15.097 1.708 1.00 0.00 H new ATOM 727 N PHE A 50 24.689 -7.632 5.724 1.00 0.00 N ATOM 728 CA PHE A 50 24.537 -6.504 6.635 1.00 0.00 C ATOM 729 C PHE A 50 23.177 -5.837 6.453 1.00 0.00 C ATOM 730 O PHE A 50 22.506 -6.037 5.439 1.00 0.00 O ATOM 731 CB PHE A 50 25.662 -5.487 6.419 1.00 0.00 C ATOM 732 CG PHE A 50 25.427 -4.562 5.261 1.00 0.00 C ATOM 733 CD1 PHE A 50 25.652 -4.987 3.962 1.00 0.00 C ATOM 734 CD2 PHE A 50 24.979 -3.268 5.472 1.00 0.00 C ATOM 735 CE1 PHE A 50 25.434 -4.138 2.893 1.00 0.00 C ATOM 736 CE2 PHE A 50 24.759 -2.414 4.408 1.00 0.00 C ATOM 737 CZ PHE A 50 24.987 -2.850 3.117 1.00 0.00 C ATOM 0 H PHE A 50 25.371 -7.486 4.980 1.00 0.00 H new ATOM 0 HA PHE A 50 24.598 -6.881 7.656 1.00 0.00 H new ATOM 0 HB2 PHE A 50 25.783 -4.895 7.326 1.00 0.00 H new ATOM 0 HB3 PHE A 50 26.598 -6.023 6.260 1.00 0.00 H new ATOM 0 HD1 PHE A 50 26.002 -5.993 3.782 1.00 0.00 H new ATOM 0 HD2 PHE A 50 24.800 -2.923 6.480 1.00 0.00 H new ATOM 0 HE1 PHE A 50 25.613 -4.481 1.885 1.00 0.00 H new ATOM 0 HE2 PHE A 50 24.409 -1.408 4.585 1.00 0.00 H new ATOM 0 HZ PHE A 50 24.816 -2.185 2.284 1.00 0.00 H new ATOM 747 N THR A 51 22.777 -5.046 7.443 1.00 0.00 N ATOM 748 CA THR A 51 21.496 -4.350 7.398 1.00 0.00 C ATOM 749 C THR A 51 21.507 -3.114 8.294 1.00 0.00 C ATOM 750 O THR A 51 21.300 -3.209 9.505 1.00 0.00 O ATOM 751 CB THR A 51 20.343 -5.280 7.826 1.00 0.00 C ATOM 752 OG1 THR A 51 20.212 -6.356 6.890 1.00 0.00 O ATOM 753 CG2 THR A 51 19.028 -4.518 7.914 1.00 0.00 C ATOM 0 H THR A 51 23.322 -4.871 8.287 1.00 0.00 H new ATOM 0 HA THR A 51 21.337 -4.038 6.366 1.00 0.00 H new ATOM 0 HB THR A 51 20.578 -5.678 8.813 1.00 0.00 H new ATOM 0 HG1 THR A 51 20.360 -7.209 7.349 1.00 0.00 H new ATOM 0 HG21 THR A 51 18.233 -5.199 8.218 1.00 0.00 H new ATOM 0 HG22 THR A 51 19.120 -3.717 8.648 1.00 0.00 H new ATOM 0 HG23 THR A 51 18.788 -4.092 6.940 1.00 0.00 H new ATOM 761 N LEU A 52 21.747 -1.956 7.688 1.00 0.00 N ATOM 762 CA LEU A 52 21.782 -0.695 8.422 1.00 0.00 C ATOM 763 C LEU A 52 20.374 -0.128 8.585 1.00 0.00 C ATOM 764 O LEU A 52 19.475 -0.450 7.810 1.00 0.00 O ATOM 765 CB LEU A 52 22.681 0.313 7.695 1.00 0.00 C ATOM 766 CG LEU A 52 22.434 1.784 8.041 1.00 0.00 C ATOM 767 CD1 LEU A 52 23.058 2.131 9.384 1.00 0.00 C ATOM 768 CD2 LEU A 52 22.981 2.688 6.948 1.00 0.00 C ATOM 0 H LEU A 52 21.921 -1.864 6.687 1.00 0.00 H new ATOM 0 HA LEU A 52 22.193 -0.883 9.414 1.00 0.00 H new ATOM 0 HB2 LEU A 52 23.721 0.074 7.919 1.00 0.00 H new ATOM 0 HB3 LEU A 52 22.549 0.183 6.621 1.00 0.00 H new ATOM 0 HG LEU A 52 21.358 1.943 8.113 1.00 0.00 H new ATOM 0 HD11 LEU A 52 22.871 3.181 9.612 1.00 0.00 H new ATOM 0 HD12 LEU A 52 22.618 1.507 10.162 1.00 0.00 H new ATOM 0 HD13 LEU A 52 24.133 1.954 9.342 1.00 0.00 H new ATOM 0 HD21 LEU A 52 22.796 3.730 7.211 1.00 0.00 H new ATOM 0 HD22 LEU A 52 24.054 2.525 6.844 1.00 0.00 H new ATOM 0 HD23 LEU A 52 22.486 2.459 6.004 1.00 0.00 H new ATOM 780 N ALA A 53 20.190 0.716 9.594 1.00 0.00 N ATOM 781 CA ALA A 53 18.891 1.326 9.851 1.00 0.00 C ATOM 782 C ALA A 53 19.011 2.841 9.978 1.00 0.00 C ATOM 783 O ALA A 53 19.987 3.437 9.521 1.00 0.00 O ATOM 784 CB ALA A 53 18.268 0.734 11.105 1.00 0.00 C ATOM 0 H ALA A 53 20.923 0.993 10.247 1.00 0.00 H new ATOM 0 HA ALA A 53 18.242 1.111 9.002 1.00 0.00 H new ATOM 0 HB1 ALA A 53 17.299 1.199 11.284 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.136 -0.340 10.974 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.922 0.918 11.958 1.00 0.00 H new ATOM 790 N SER A 54 18.009 3.456 10.598 1.00 0.00 N ATOM 791 CA SER A 54 17.992 4.903 10.786 1.00 0.00 C ATOM 792 C SER A 54 19.271 5.387 11.465 1.00 0.00 C ATOM 793 O SER A 54 19.686 6.530 11.278 1.00 0.00 O ATOM 794 CB SER A 54 16.775 5.314 11.617 1.00 0.00 C ATOM 795 OG SER A 54 16.833 6.687 11.962 1.00 0.00 O ATOM 0 H SER A 54 17.196 2.973 10.980 1.00 0.00 H new ATOM 0 HA SER A 54 17.930 5.368 9.802 1.00 0.00 H new ATOM 0 HB2 SER A 54 15.863 5.115 11.054 1.00 0.00 H new ATOM 0 HB3 SER A 54 16.729 4.710 12.523 1.00 0.00 H new ATOM 0 HG SER A 54 16.043 6.925 12.491 1.00 0.00 H new ATOM 801 N GLY A 55 19.890 4.513 12.252 1.00 0.00 N ATOM 802 CA GLY A 55 21.114 4.879 12.943 1.00 0.00 C ATOM 803 C GLY A 55 21.765 3.704 13.646 1.00 0.00 C ATOM 804 O GLY A 55 22.243 3.836 14.773 1.00 0.00 O ATOM 0 H GLY A 55 19.568 3.561 12.424 1.00 0.00 H new ATOM 0 HA2 GLY A 55 21.817 5.303 12.227 1.00 0.00 H new ATOM 0 HA3 GLY A 55 20.895 5.658 13.674 1.00 0.00 H new ATOM 808 N LYS A 56 21.786 2.555 12.979 1.00 0.00 N ATOM 809 CA LYS A 56 22.386 1.351 13.547 1.00 0.00 C ATOM 810 C LYS A 56 22.450 0.230 12.516 1.00 0.00 C ATOM 811 O LYS A 56 21.429 -0.173 11.958 1.00 0.00 O ATOM 812 CB LYS A 56 21.592 0.888 14.769 1.00 0.00 C ATOM 813 CG LYS A 56 22.467 0.415 15.918 1.00 0.00 C ATOM 814 CD LYS A 56 21.741 0.514 17.249 1.00 0.00 C ATOM 815 CE LYS A 56 21.770 -0.808 18.000 1.00 0.00 C ATOM 816 NZ LYS A 56 21.163 -1.912 17.206 1.00 0.00 N ATOM 0 H LYS A 56 21.395 2.431 12.045 1.00 0.00 H new ATOM 0 HA LYS A 56 23.403 1.596 13.852 1.00 0.00 H new ATOM 0 HB2 LYS A 56 20.963 1.708 15.116 1.00 0.00 H new ATOM 0 HB3 LYS A 56 20.925 0.078 14.473 1.00 0.00 H new ATOM 0 HG2 LYS A 56 22.771 -0.617 15.744 1.00 0.00 H new ATOM 0 HG3 LYS A 56 23.377 1.013 15.954 1.00 0.00 H new ATOM 0 HD2 LYS A 56 22.202 1.290 17.859 1.00 0.00 H new ATOM 0 HD3 LYS A 56 20.707 0.814 17.079 1.00 0.00 H new ATOM 0 HE2 LYS A 56 22.801 -1.063 18.247 1.00 0.00 H new ATOM 0 HE3 LYS A 56 21.234 -0.702 18.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 20.740 -2.611 17.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 20.427 -1.526 16.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 21.898 -2.371 16.632 1.00 0.00 H new ATOM 830 N CYS A 57 23.656 -0.272 12.275 1.00 0.00 N ATOM 831 CA CYS A 57 23.858 -1.354 11.319 1.00 0.00 C ATOM 832 C CYS A 57 23.780 -2.708 12.016 1.00 0.00 C ATOM 833 O CYS A 57 24.021 -2.810 13.218 1.00 0.00 O ATOM 834 CB CYS A 57 25.211 -1.207 10.619 1.00 0.00 C ATOM 835 SG CYS A 57 25.812 0.508 10.502 1.00 0.00 S ATOM 0 H CYS A 57 24.509 0.054 12.729 1.00 0.00 H new ATOM 0 HA CYS A 57 23.066 -1.297 10.572 1.00 0.00 H new ATOM 0 HB2 CYS A 57 25.950 -1.803 11.154 1.00 0.00 H new ATOM 0 HB3 CYS A 57 25.134 -1.622 9.614 1.00 0.00 H new ATOM 840 N SER A 58 23.447 -3.743 11.255 1.00 0.00 N ATOM 841 CA SER A 58 23.342 -5.093 11.798 1.00 0.00 C ATOM 842 C SER A 58 23.650 -6.128 10.723 1.00 0.00 C ATOM 843 O SER A 58 22.936 -6.236 9.729 1.00 0.00 O ATOM 844 CB SER A 58 21.947 -5.332 12.370 1.00 0.00 C ATOM 845 OG SER A 58 21.626 -4.367 13.357 1.00 0.00 O ATOM 0 H SER A 58 23.244 -3.674 10.258 1.00 0.00 H new ATOM 0 HA SER A 58 24.072 -5.195 12.601 1.00 0.00 H new ATOM 0 HB2 SER A 58 21.210 -5.294 11.567 1.00 0.00 H new ATOM 0 HB3 SER A 58 21.895 -6.331 12.803 1.00 0.00 H new ATOM 0 HG SER A 58 20.727 -4.542 13.706 1.00 0.00 H new ATOM 851 N LEU A 59 24.722 -6.882 10.930 1.00 0.00 N ATOM 852 CA LEU A 59 25.135 -7.905 9.977 1.00 0.00 C ATOM 853 C LEU A 59 24.567 -9.266 10.361 1.00 0.00 C ATOM 854 O LEU A 59 24.363 -9.554 11.540 1.00 0.00 O ATOM 855 CB LEU A 59 26.663 -7.968 9.903 1.00 0.00 C ATOM 856 CG LEU A 59 27.393 -6.962 10.798 1.00 0.00 C ATOM 857 CD1 LEU A 59 28.818 -7.411 11.069 1.00 0.00 C ATOM 858 CD2 LEU A 59 27.386 -5.581 10.164 1.00 0.00 C ATOM 0 H LEU A 59 25.322 -6.804 11.751 1.00 0.00 H new ATOM 0 HA LEU A 59 24.743 -7.639 8.995 1.00 0.00 H new ATOM 0 HB2 LEU A 59 26.984 -8.974 10.174 1.00 0.00 H new ATOM 0 HB3 LEU A 59 26.970 -7.803 8.870 1.00 0.00 H new ATOM 0 HG LEU A 59 26.864 -6.911 11.750 1.00 0.00 H new ATOM 0 HD11 LEU A 59 29.315 -6.680 11.707 1.00 0.00 H new ATOM 0 HD12 LEU A 59 28.805 -8.379 11.569 1.00 0.00 H new ATOM 0 HD13 LEU A 59 29.358 -7.497 10.126 1.00 0.00 H new ATOM 0 HD21 LEU A 59 27.909 -4.880 10.814 1.00 0.00 H new ATOM 0 HD22 LEU A 59 27.887 -5.622 9.197 1.00 0.00 H new ATOM 0 HD23 LEU A 59 26.357 -5.249 10.026 1.00 0.00 H new ATOM 870 N PHE A 60 24.307 -10.098 9.357 1.00 0.00 N ATOM 871 CA PHE A 60 23.757 -11.430 9.587 1.00 0.00 C ATOM 872 C PHE A 60 24.468 -12.469 8.726 1.00 0.00 C ATOM 873 O PHE A 60 24.488 -12.365 7.500 1.00 0.00 O ATOM 874 CB PHE A 60 22.254 -11.438 9.295 1.00 0.00 C ATOM 875 CG PHE A 60 21.513 -10.317 9.966 1.00 0.00 C ATOM 876 CD1 PHE A 60 21.066 -10.447 11.270 1.00 0.00 C ATOM 877 CD2 PHE A 60 21.271 -9.128 9.295 1.00 0.00 C ATOM 878 CE1 PHE A 60 20.394 -9.412 11.894 1.00 0.00 C ATOM 879 CE2 PHE A 60 20.598 -8.093 9.912 1.00 0.00 C ATOM 880 CZ PHE A 60 20.160 -8.234 11.213 1.00 0.00 C ATOM 0 H PHE A 60 24.469 -9.873 8.375 1.00 0.00 H new ATOM 0 HA PHE A 60 23.916 -11.690 10.634 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.100 -11.373 8.218 1.00 0.00 H new ATOM 0 HB3 PHE A 60 21.833 -12.389 9.621 1.00 0.00 H new ATOM 0 HD1 PHE A 60 21.244 -11.367 11.806 1.00 0.00 H new ATOM 0 HD2 PHE A 60 21.613 -9.010 8.277 1.00 0.00 H new ATOM 0 HE1 PHE A 60 20.053 -9.525 12.912 1.00 0.00 H new ATOM 0 HE2 PHE A 60 20.414 -7.173 9.377 1.00 0.00 H new ATOM 0 HZ PHE A 60 19.635 -7.424 11.698 1.00 0.00 H new ATOM 890 N ALA A 61 25.057 -13.467 9.379 1.00 0.00 N ATOM 891 CA ALA A 61 25.779 -14.523 8.678 1.00 0.00 C ATOM 892 C ALA A 61 24.845 -15.347 7.794 1.00 0.00 C ATOM 893 O ALA A 61 24.610 -15.002 6.636 1.00 0.00 O ATOM 894 CB ALA A 61 26.500 -15.420 9.675 1.00 0.00 C ATOM 0 H ALA A 61 25.048 -13.566 10.394 1.00 0.00 H new ATOM 0 HA ALA A 61 26.517 -14.051 8.029 1.00 0.00 H new ATOM 0 HB1 ALA A 61 27.035 -16.204 9.139 1.00 0.00 H new ATOM 0 HB2 ALA A 61 27.209 -14.826 10.252 1.00 0.00 H new ATOM 0 HB3 ALA A 61 25.773 -15.873 10.349 1.00 0.00 H new ATOM 900 N ASP A 62 24.322 -16.440 8.344 1.00 0.00 N ATOM 901 CA ASP A 62 23.422 -17.314 7.599 1.00 0.00 C ATOM 902 C ASP A 62 22.033 -17.343 8.230 1.00 0.00 C ATOM 903 O ASP A 62 21.150 -18.070 7.774 1.00 0.00 O ATOM 904 CB ASP A 62 23.992 -18.732 7.537 1.00 0.00 C ATOM 905 CG ASP A 62 23.522 -19.492 6.312 1.00 0.00 C ATOM 906 OD1 ASP A 62 22.455 -20.136 6.387 1.00 0.00 O ATOM 907 OD2 ASP A 62 24.221 -19.443 5.280 1.00 0.00 O ATOM 0 H ASP A 62 24.506 -16.741 9.301 1.00 0.00 H new ATOM 0 HA ASP A 62 23.331 -16.917 6.588 1.00 0.00 H new ATOM 0 HB2 ASP A 62 25.081 -18.683 7.535 1.00 0.00 H new ATOM 0 HB3 ASP A 62 23.699 -19.278 8.434 1.00 0.00 H new ATOM 912 N ASP A 63 21.847 -16.550 9.280 1.00 0.00 N ATOM 913 CA ASP A 63 20.565 -16.488 9.972 1.00 0.00 C ATOM 914 C ASP A 63 19.452 -16.067 9.016 1.00 0.00 C ATOM 915 O ASP A 63 19.670 -15.263 8.109 1.00 0.00 O ATOM 916 CB ASP A 63 20.642 -15.512 11.146 1.00 0.00 C ATOM 917 CG ASP A 63 19.592 -15.794 12.203 1.00 0.00 C ATOM 918 OD1 ASP A 63 19.669 -16.863 12.845 1.00 0.00 O ATOM 919 OD2 ASP A 63 18.695 -14.947 12.390 1.00 0.00 O ATOM 0 H ASP A 63 22.567 -15.942 9.670 1.00 0.00 H new ATOM 0 HA ASP A 63 20.336 -17.484 10.352 1.00 0.00 H new ATOM 0 HB2 ASP A 63 21.632 -15.569 11.598 1.00 0.00 H new ATOM 0 HB3 ASP A 63 20.518 -14.494 10.777 1.00 0.00 H new ATOM 924 N ALA A 64 18.259 -16.616 9.225 1.00 0.00 N ATOM 925 CA ALA A 64 17.113 -16.299 8.382 1.00 0.00 C ATOM 926 C ALA A 64 15.915 -15.870 9.222 1.00 0.00 C ATOM 927 O ALA A 64 14.813 -15.692 8.702 1.00 0.00 O ATOM 928 CB ALA A 64 16.750 -17.495 7.515 1.00 0.00 C ATOM 0 H ALA A 64 18.062 -17.283 9.971 1.00 0.00 H new ATOM 0 HA ALA A 64 17.388 -15.465 7.736 1.00 0.00 H new ATOM 0 HB1 ALA A 64 15.893 -17.245 6.890 1.00 0.00 H new ATOM 0 HB2 ALA A 64 17.597 -17.755 6.881 1.00 0.00 H new ATOM 0 HB3 ALA A 64 16.500 -18.343 8.152 1.00 0.00 H new ATOM 934 N ALA A 65 16.139 -15.704 10.521 1.00 0.00 N ATOM 935 CA ALA A 65 15.078 -15.294 11.433 1.00 0.00 C ATOM 936 C ALA A 65 14.957 -13.775 11.487 1.00 0.00 C ATOM 937 O ALA A 65 14.263 -13.228 12.344 1.00 0.00 O ATOM 938 CB ALA A 65 15.334 -15.854 12.824 1.00 0.00 C ATOM 0 H ALA A 65 17.046 -15.847 10.966 1.00 0.00 H new ATOM 0 HA ALA A 65 14.136 -15.694 11.059 1.00 0.00 H new ATOM 0 HB1 ALA A 65 14.535 -15.540 13.495 1.00 0.00 H new ATOM 0 HB2 ALA A 65 15.363 -16.943 12.778 1.00 0.00 H new ATOM 0 HB3 ALA A 65 16.288 -15.481 13.197 1.00 0.00 H new ATOM 944 N LEU A 66 15.637 -13.100 10.566 1.00 0.00 N ATOM 945 CA LEU A 66 15.607 -11.643 10.507 1.00 0.00 C ATOM 946 C LEU A 66 14.499 -11.159 9.577 1.00 0.00 C ATOM 947 O LEU A 66 14.623 -11.236 8.355 1.00 0.00 O ATOM 948 CB LEU A 66 16.957 -11.101 10.035 1.00 0.00 C ATOM 949 CG LEU A 66 17.649 -11.935 8.955 1.00 0.00 C ATOM 950 CD1 LEU A 66 18.052 -11.057 7.780 1.00 0.00 C ATOM 951 CD2 LEU A 66 18.861 -12.652 9.529 1.00 0.00 C ATOM 0 H LEU A 66 16.216 -13.539 9.850 1.00 0.00 H new ATOM 0 HA LEU A 66 15.405 -11.269 11.511 1.00 0.00 H new ATOM 0 HB2 LEU A 66 16.812 -10.090 9.654 1.00 0.00 H new ATOM 0 HB3 LEU A 66 17.622 -11.025 10.896 1.00 0.00 H new ATOM 0 HG LEU A 66 16.945 -12.686 8.596 1.00 0.00 H new ATOM 0 HD11 LEU A 66 18.543 -11.667 7.022 1.00 0.00 H new ATOM 0 HD12 LEU A 66 17.164 -10.591 7.352 1.00 0.00 H new ATOM 0 HD13 LEU A 66 18.738 -10.283 8.123 1.00 0.00 H new ATOM 0 HD21 LEU A 66 19.340 -13.240 8.746 1.00 0.00 H new ATOM 0 HD22 LEU A 66 19.568 -11.918 9.916 1.00 0.00 H new ATOM 0 HD23 LEU A 66 18.545 -13.312 10.337 1.00 0.00 H new ATOM 963 N ARG A 67 13.418 -10.659 10.167 1.00 0.00 N ATOM 964 CA ARG A 67 12.287 -10.160 9.394 1.00 0.00 C ATOM 965 C ARG A 67 12.290 -8.633 9.341 1.00 0.00 C ATOM 966 O ARG A 67 12.956 -7.980 10.143 1.00 0.00 O ATOM 967 CB ARG A 67 10.973 -10.656 9.999 1.00 0.00 C ATOM 968 CG ARG A 67 10.537 -12.018 9.479 1.00 0.00 C ATOM 969 CD ARG A 67 9.309 -11.908 8.590 1.00 0.00 C ATOM 970 NE ARG A 67 8.851 -13.215 8.127 1.00 0.00 N ATOM 971 CZ ARG A 67 7.693 -13.412 7.501 1.00 0.00 C ATOM 972 NH1 ARG A 67 6.881 -12.390 7.266 1.00 0.00 N ATOM 973 NH2 ARG A 67 7.349 -14.631 7.111 1.00 0.00 N ATOM 0 H ARG A 67 13.302 -10.589 11.178 1.00 0.00 H new ATOM 0 HA ARG A 67 12.380 -10.540 8.377 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.078 -10.707 11.083 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.189 -9.929 9.789 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.354 -12.473 8.918 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.321 -12.677 10.320 1.00 0.00 H new ATOM 0 HD2 ARG A 67 8.506 -11.416 9.139 1.00 0.00 H new ATOM 0 HD3 ARG A 67 9.539 -11.279 7.730 1.00 0.00 H new ATOM 0 HE ARG A 67 9.452 -14.022 8.293 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.143 -11.451 7.565 1.00 0.00 H new ATOM 0 HH12 ARG A 67 5.994 -12.543 6.786 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.972 -15.419 7.291 1.00 0.00 H new ATOM 0 HH22 ARG A 67 6.462 -14.782 6.631 1.00 0.00 H new ATOM 987 N PRO A 68 11.540 -8.042 8.394 1.00 0.00 N ATOM 988 CA PRO A 68 11.459 -6.585 8.246 1.00 0.00 C ATOM 989 C PRO A 68 10.736 -5.925 9.415 1.00 0.00 C ATOM 990 O PRO A 68 10.259 -6.604 10.324 1.00 0.00 O ATOM 991 CB PRO A 68 10.661 -6.402 6.952 1.00 0.00 C ATOM 992 CG PRO A 68 9.858 -7.650 6.823 1.00 0.00 C ATOM 993 CD PRO A 68 10.709 -8.747 7.400 1.00 0.00 C ATOM 0 HA PRO A 68 12.446 -6.122 8.222 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.020 -5.522 7.003 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.321 -6.266 6.096 1.00 0.00 H new ATOM 0 HG2 PRO A 68 8.913 -7.564 7.360 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.614 -7.852 5.780 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.103 -9.526 7.862 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.318 -9.229 6.635 1.00 0.00 H new ATOM 1001 N THR A 69 10.660 -4.598 9.386 1.00 0.00 N ATOM 1002 CA THR A 69 9.995 -3.847 10.444 1.00 0.00 C ATOM 1003 C THR A 69 9.373 -2.566 9.901 1.00 0.00 C ATOM 1004 O THR A 69 8.155 -2.391 9.934 1.00 0.00 O ATOM 1005 CB THR A 69 10.969 -3.491 11.584 1.00 0.00 C ATOM 1006 OG1 THR A 69 10.502 -2.332 12.285 1.00 0.00 O ATOM 1007 CG2 THR A 69 12.369 -3.234 11.046 1.00 0.00 C ATOM 0 H THR A 69 11.051 -4.021 8.641 1.00 0.00 H new ATOM 0 HA THR A 69 9.209 -4.490 10.840 1.00 0.00 H new ATOM 0 HB THR A 69 11.012 -4.338 12.269 1.00 0.00 H new ATOM 0 HG1 THR A 69 11.126 -2.114 13.009 1.00 0.00 H new ATOM 0 HG21 THR A 69 13.036 -2.985 11.871 1.00 0.00 H new ATOM 0 HG22 THR A 69 12.735 -4.128 10.541 1.00 0.00 H new ATOM 0 HG23 THR A 69 12.341 -2.404 10.339 1.00 0.00 H new ATOM 1015 N LYS A 70 10.220 -1.675 9.403 1.00 0.00 N ATOM 1016 CA LYS A 70 9.759 -0.406 8.851 1.00 0.00 C ATOM 1017 C LYS A 70 10.798 0.185 7.902 1.00 0.00 C ATOM 1018 O LYS A 70 11.959 -0.224 7.906 1.00 0.00 O ATOM 1019 CB LYS A 70 9.458 0.585 9.977 1.00 0.00 C ATOM 1020 CG LYS A 70 10.675 0.951 10.810 1.00 0.00 C ATOM 1021 CD LYS A 70 10.326 1.070 12.285 1.00 0.00 C ATOM 1022 CE LYS A 70 11.433 1.760 13.065 1.00 0.00 C ATOM 1023 NZ LYS A 70 10.897 2.543 14.213 1.00 0.00 N ATOM 0 H LYS A 70 11.231 -1.807 9.369 1.00 0.00 H new ATOM 0 HA LYS A 70 8.845 -0.595 8.288 1.00 0.00 H new ATOM 0 HB2 LYS A 70 9.037 1.493 9.547 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.696 0.159 10.630 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.448 0.194 10.678 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.089 1.895 10.456 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.397 1.630 12.396 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.151 0.077 12.700 1.00 0.00 H new ATOM 0 HE2 LYS A 70 12.138 1.014 13.432 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.987 2.423 12.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.683 2.998 14.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.243 3.271 13.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.390 1.907 14.861 1.00 0.00 H new ATOM 1037 N SER A 71 10.373 1.148 7.092 1.00 0.00 N ATOM 1038 CA SER A 71 11.264 1.795 6.137 1.00 0.00 C ATOM 1039 C SER A 71 11.609 3.213 6.585 1.00 0.00 C ATOM 1040 O SER A 71 11.403 4.176 5.848 1.00 0.00 O ATOM 1041 CB SER A 71 10.622 1.827 4.749 1.00 0.00 C ATOM 1042 OG SER A 71 9.254 1.462 4.811 1.00 0.00 O ATOM 0 H SER A 71 9.415 1.498 7.078 1.00 0.00 H new ATOM 0 HA SER A 71 12.186 1.216 6.090 1.00 0.00 H new ATOM 0 HB2 SER A 71 10.716 2.827 4.324 1.00 0.00 H new ATOM 0 HB3 SER A 71 11.153 1.147 4.083 1.00 0.00 H new ATOM 0 HG SER A 71 8.866 1.492 3.911 1.00 0.00 H new ATOM 1048 N ASP A 72 12.138 3.331 7.800 1.00 0.00 N ATOM 1049 CA ASP A 72 12.513 4.630 8.347 1.00 0.00 C ATOM 1050 C ASP A 72 14.009 4.876 8.180 1.00 0.00 C ATOM 1051 O ASP A 72 14.785 4.711 9.123 1.00 0.00 O ATOM 1052 CB ASP A 72 12.130 4.714 9.825 1.00 0.00 C ATOM 1053 CG ASP A 72 12.380 6.090 10.411 1.00 0.00 C ATOM 1054 OD1 ASP A 72 11.538 6.987 10.199 1.00 0.00 O ATOM 1055 OD2 ASP A 72 13.418 6.270 11.082 1.00 0.00 O ATOM 0 H ASP A 72 12.316 2.543 8.423 1.00 0.00 H new ATOM 0 HA ASP A 72 11.973 5.400 7.797 1.00 0.00 H new ATOM 0 HB2 ASP A 72 11.076 4.460 9.939 1.00 0.00 H new ATOM 0 HB3 ASP A 72 12.699 3.974 10.387 1.00 0.00 H new ATOM 1060 N GLY A 73 14.408 5.271 6.974 1.00 0.00 N ATOM 1061 CA GLY A 73 15.809 5.534 6.705 1.00 0.00 C ATOM 1062 C GLY A 73 16.670 4.296 6.866 1.00 0.00 C ATOM 1063 O GLY A 73 17.847 4.390 7.215 1.00 0.00 O ATOM 0 H GLY A 73 13.785 5.413 6.179 1.00 0.00 H new ATOM 0 HA2 GLY A 73 15.916 5.918 5.691 1.00 0.00 H new ATOM 0 HA3 GLY A 73 16.166 6.312 7.380 1.00 0.00 H new ATOM 1067 N ALA A 74 16.079 3.132 6.611 1.00 0.00 N ATOM 1068 CA ALA A 74 16.796 1.868 6.731 1.00 0.00 C ATOM 1069 C ALA A 74 17.327 1.405 5.378 1.00 0.00 C ATOM 1070 O ALA A 74 16.961 1.950 4.336 1.00 0.00 O ATOM 1071 CB ALA A 74 15.889 0.806 7.334 1.00 0.00 C ATOM 0 H ALA A 74 15.106 3.039 6.320 1.00 0.00 H new ATOM 0 HA ALA A 74 17.649 2.023 7.392 1.00 0.00 H new ATOM 0 HB1 ALA A 74 16.435 -0.133 7.419 1.00 0.00 H new ATOM 0 HB2 ALA A 74 15.562 1.126 8.323 1.00 0.00 H new ATOM 0 HB3 ALA A 74 15.019 0.663 6.693 1.00 0.00 H new ATOM 1077 N VAL A 75 18.190 0.394 5.404 1.00 0.00 N ATOM 1078 CA VAL A 75 18.776 -0.152 4.185 1.00 0.00 C ATOM 1079 C VAL A 75 19.529 -1.446 4.477 1.00 0.00 C ATOM 1080 O VAL A 75 20.182 -1.575 5.511 1.00 0.00 O ATOM 1081 CB VAL A 75 19.735 0.857 3.520 1.00 0.00 C ATOM 1082 CG1 VAL A 75 20.900 1.181 4.445 1.00 0.00 C ATOM 1083 CG2 VAL A 75 20.235 0.323 2.186 1.00 0.00 C ATOM 0 H VAL A 75 18.500 -0.065 6.260 1.00 0.00 H new ATOM 0 HA VAL A 75 17.955 -0.359 3.499 1.00 0.00 H new ATOM 0 HB VAL A 75 19.185 1.779 3.332 1.00 0.00 H new ATOM 0 HG11 VAL A 75 21.564 1.894 3.957 1.00 0.00 H new ATOM 0 HG12 VAL A 75 20.520 1.613 5.371 1.00 0.00 H new ATOM 0 HG13 VAL A 75 21.451 0.268 4.670 1.00 0.00 H new ATOM 0 HG21 VAL A 75 20.910 1.049 1.733 1.00 0.00 H new ATOM 0 HG22 VAL A 75 20.766 -0.615 2.346 1.00 0.00 H new ATOM 0 HG23 VAL A 75 19.388 0.152 1.522 1.00 0.00 H new ATOM 1093 N SER A 76 19.433 -2.406 3.562 1.00 0.00 N ATOM 1094 CA SER A 76 20.106 -3.690 3.732 1.00 0.00 C ATOM 1095 C SER A 76 20.518 -4.277 2.386 1.00 0.00 C ATOM 1096 O SER A 76 20.077 -3.815 1.334 1.00 0.00 O ATOM 1097 CB SER A 76 19.194 -4.671 4.470 1.00 0.00 C ATOM 1098 OG SER A 76 18.071 -5.019 3.679 1.00 0.00 O ATOM 0 H SER A 76 18.898 -2.320 2.698 1.00 0.00 H new ATOM 0 HA SER A 76 21.007 -3.522 4.323 1.00 0.00 H new ATOM 0 HB2 SER A 76 19.754 -5.570 4.727 1.00 0.00 H new ATOM 0 HB3 SER A 76 18.859 -4.226 5.407 1.00 0.00 H new ATOM 0 HG SER A 76 17.505 -5.648 4.173 1.00 0.00 H new ATOM 1104 N GLY A 77 21.366 -5.300 2.430 1.00 0.00 N ATOM 1105 CA GLY A 77 21.824 -5.937 1.210 1.00 0.00 C ATOM 1106 C GLY A 77 23.036 -6.820 1.433 1.00 0.00 C ATOM 1107 O GLY A 77 23.364 -7.157 2.570 1.00 0.00 O ATOM 0 H GLY A 77 21.744 -5.699 3.289 1.00 0.00 H new ATOM 0 HA2 GLY A 77 21.015 -6.536 0.791 1.00 0.00 H new ATOM 0 HA3 GLY A 77 22.068 -5.171 0.474 1.00 0.00 H new