USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 470 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 35 LYS NZ :NH3+ 148:sc= -0.411 (180deg=-1.69!) USER MOD Set 1.2: A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl -109:sc= -1.43 (180deg=-2.39!) USER MOD Single : A 32 SER OG : rot 180:sc= -0.662 USER MOD Single : A 38 GLN : amide:sc= -0.218 K(o=-0.22,f=-1.5!) USER MOD Single : A 40 GLN : amide:sc= -0.465 X(o=-0.47,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0.0309 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 61:sc= 0.656 USER MOD Single : A 58 MET CE :methyl -166:sc= -2.54! (180deg=-3.7!) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 319 N VAL A 25 5.689 1.772 7.421 1.00 0.00 N ATOM 320 CA VAL A 25 5.185 0.577 6.758 1.00 0.00 C ATOM 321 C VAL A 25 6.274 -0.484 6.640 1.00 0.00 C ATOM 322 O VAL A 25 6.894 -0.639 5.589 1.00 0.00 O ATOM 323 CB VAL A 25 4.642 0.898 5.351 1.00 0.00 C ATOM 324 CG1 VAL A 25 3.972 -0.325 4.742 1.00 0.00 C ATOM 325 CG2 VAL A 25 3.675 2.072 5.406 1.00 0.00 C ATOM 0 HA VAL A 25 4.371 0.194 7.373 1.00 0.00 H new ATOM 0 HB VAL A 25 5.482 1.177 4.715 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.596 -0.077 3.749 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.697 -1.136 4.664 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.143 -0.639 5.376 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.302 2.284 4.404 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.838 1.824 6.059 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.191 2.950 5.794 1.00 0.00 H new ATOM 335 N SER A 26 6.503 -1.211 7.729 1.00 0.00 N ATOM 336 CA SER A 26 7.519 -2.258 7.749 1.00 0.00 C ATOM 337 C SER A 26 7.123 -3.419 6.843 1.00 0.00 C ATOM 338 O SER A 26 6.064 -3.397 6.217 1.00 0.00 O ATOM 339 CB SER A 26 7.735 -2.758 9.180 1.00 0.00 C ATOM 340 OG SER A 26 9.096 -2.651 9.559 1.00 0.00 O ATOM 0 H SER A 26 5.999 -1.095 8.608 1.00 0.00 H new ATOM 0 HA SER A 26 8.451 -1.834 7.375 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.117 -2.181 9.867 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.413 -3.797 9.258 1.00 0.00 H new ATOM 0 HG SER A 26 9.206 -2.975 10.477 1.00 0.00 H new ATOM 346 N ALA A 27 7.981 -4.432 6.779 1.00 0.00 N ATOM 347 CA ALA A 27 7.721 -5.602 5.949 1.00 0.00 C ATOM 348 C ALA A 27 6.468 -6.336 6.413 1.00 0.00 C ATOM 349 O ALA A 27 5.739 -6.911 5.605 1.00 0.00 O ATOM 350 CB ALA A 27 8.921 -6.538 5.967 1.00 0.00 C ATOM 0 H ALA A 27 8.862 -4.466 7.292 1.00 0.00 H new ATOM 0 HA ALA A 27 7.554 -5.263 4.927 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.714 -7.408 5.343 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.796 -6.015 5.581 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.114 -6.863 6.989 1.00 0.00 H new ATOM 356 N MET A 28 6.224 -6.312 7.720 1.00 0.00 N ATOM 357 CA MET A 28 5.058 -6.976 8.292 1.00 0.00 C ATOM 358 C MET A 28 3.768 -6.321 7.809 1.00 0.00 C ATOM 359 O MET A 28 2.739 -6.981 7.668 1.00 0.00 O ATOM 360 CB MET A 28 5.122 -6.940 9.820 1.00 0.00 C ATOM 361 CG MET A 28 3.949 -7.631 10.494 1.00 0.00 C ATOM 362 SD MET A 28 4.440 -8.581 11.947 1.00 0.00 S ATOM 363 CE MET A 28 2.878 -9.320 12.414 1.00 0.00 C ATOM 0 H MET A 28 6.818 -5.840 8.402 1.00 0.00 H new ATOM 0 HA MET A 28 5.063 -8.014 7.960 1.00 0.00 H new ATOM 0 HB2 MET A 28 6.048 -7.412 10.148 1.00 0.00 H new ATOM 0 HB3 MET A 28 5.159 -5.902 10.149 1.00 0.00 H new ATOM 0 HG2 MET A 28 3.212 -6.883 10.786 1.00 0.00 H new ATOM 0 HG3 MET A 28 3.464 -8.295 9.778 1.00 0.00 H new ATOM 0 HE1 MET A 28 2.517 -8.857 13.332 1.00 0.00 H new ATOM 0 HE2 MET A 28 2.150 -9.165 11.618 1.00 0.00 H new ATOM 0 HE3 MET A 28 3.015 -10.389 12.576 1.00 0.00 H new ATOM 373 N PHE A 29 3.832 -5.017 7.558 1.00 0.00 N ATOM 374 CA PHE A 29 2.668 -4.272 7.091 1.00 0.00 C ATOM 375 C PHE A 29 2.307 -4.666 5.662 1.00 0.00 C ATOM 376 O PHE A 29 1.140 -4.900 5.349 1.00 0.00 O ATOM 377 CB PHE A 29 2.938 -2.768 7.165 1.00 0.00 C ATOM 378 CG PHE A 29 1.701 -1.928 7.016 1.00 0.00 C ATOM 379 CD1 PHE A 29 1.060 -1.827 5.793 1.00 0.00 C ATOM 380 CD2 PHE A 29 1.182 -1.241 8.101 1.00 0.00 C ATOM 381 CE1 PHE A 29 -0.078 -1.055 5.653 1.00 0.00 C ATOM 382 CE2 PHE A 29 0.045 -0.467 7.968 1.00 0.00 C ATOM 383 CZ PHE A 29 -0.586 -0.375 6.742 1.00 0.00 C ATOM 0 H PHE A 29 4.676 -4.455 7.670 1.00 0.00 H new ATOM 0 HA PHE A 29 1.826 -4.516 7.739 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.410 -2.538 8.120 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.648 -2.496 6.384 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.454 -2.357 4.939 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.671 -1.311 9.061 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.569 -0.984 4.694 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.350 0.065 8.821 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.476 0.228 6.636 1.00 0.00 H new ATOM 393 N ILE A 30 3.316 -4.736 4.799 1.00 0.00 N ATOM 394 CA ILE A 30 3.103 -5.102 3.404 1.00 0.00 C ATOM 395 C ILE A 30 2.506 -6.501 3.289 1.00 0.00 C ATOM 396 O ILE A 30 1.590 -6.732 2.500 1.00 0.00 O ATOM 397 CB ILE A 30 4.419 -5.050 2.602 1.00 0.00 C ATOM 398 CG1 ILE A 30 5.131 -3.715 2.828 1.00 0.00 C ATOM 399 CG2 ILE A 30 4.146 -5.269 1.122 1.00 0.00 C ATOM 400 CD1 ILE A 30 6.619 -3.856 3.061 1.00 0.00 C ATOM 0 H ILE A 30 4.288 -4.544 5.041 1.00 0.00 H new ATOM 0 HA ILE A 30 2.404 -4.376 2.989 1.00 0.00 H new ATOM 0 HB ILE A 30 5.072 -5.849 2.953 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.966 -3.073 1.962 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.683 -3.214 3.686 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.085 -5.229 0.569 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.681 -6.244 0.978 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.477 -4.490 0.756 1.00 0.00 H new ATOM 0 HD11 ILE A 30 7.058 -2.870 3.214 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.792 -4.471 3.944 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.080 -4.328 2.194 1.00 0.00 H new ATOM 412 N PHE A 31 3.032 -7.430 4.081 1.00 0.00 N ATOM 413 CA PHE A 31 2.552 -8.807 4.069 1.00 0.00 C ATOM 414 C PHE A 31 1.134 -8.894 4.625 1.00 0.00 C ATOM 415 O PHE A 31 0.248 -9.479 4.003 1.00 0.00 O ATOM 416 CB PHE A 31 3.489 -9.700 4.884 1.00 0.00 C ATOM 417 CG PHE A 31 3.085 -11.147 4.895 1.00 0.00 C ATOM 418 CD1 PHE A 31 3.325 -11.954 3.795 1.00 0.00 C ATOM 419 CD2 PHE A 31 2.466 -11.699 6.004 1.00 0.00 C ATOM 420 CE1 PHE A 31 2.956 -13.286 3.802 1.00 0.00 C ATOM 421 CE2 PHE A 31 2.093 -13.029 6.017 1.00 0.00 C ATOM 422 CZ PHE A 31 2.338 -13.824 4.915 1.00 0.00 C ATOM 0 H PHE A 31 3.791 -7.254 4.739 1.00 0.00 H new ATOM 0 HA PHE A 31 2.538 -9.153 3.036 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.498 -9.617 4.481 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.524 -9.334 5.910 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.806 -11.538 2.922 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.273 -11.082 6.869 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.150 -13.906 2.939 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.610 -13.447 6.888 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.047 -14.864 4.923 1.00 0.00 H new ATOM 432 N SER A 32 0.929 -8.310 5.801 1.00 0.00 N ATOM 433 CA SER A 32 -0.380 -8.322 6.443 1.00 0.00 C ATOM 434 C SER A 32 -1.408 -7.563 5.610 1.00 0.00 C ATOM 435 O SER A 32 -2.606 -7.839 5.682 1.00 0.00 O ATOM 436 CB SER A 32 -0.289 -7.710 7.843 1.00 0.00 C ATOM 437 OG SER A 32 -1.573 -7.570 8.424 1.00 0.00 O ATOM 0 H SER A 32 1.653 -7.822 6.329 1.00 0.00 H new ATOM 0 HA SER A 32 -0.705 -9.359 6.525 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.334 -8.339 8.478 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.196 -6.735 7.786 1.00 0.00 H new ATOM 0 HG SER A 32 -1.487 -7.178 9.318 1.00 0.00 H new ATOM 443 N GLU A 33 -0.934 -6.605 4.820 1.00 0.00 N ATOM 444 CA GLU A 33 -1.815 -5.806 3.975 1.00 0.00 C ATOM 445 C GLU A 33 -2.021 -6.470 2.617 1.00 0.00 C ATOM 446 O GLU A 33 -3.117 -6.438 2.059 1.00 0.00 O ATOM 447 CB GLU A 33 -1.239 -4.402 3.786 1.00 0.00 C ATOM 448 CG GLU A 33 -2.214 -3.426 3.145 1.00 0.00 C ATOM 449 CD GLU A 33 -1.553 -2.540 2.108 1.00 0.00 C ATOM 450 OE1 GLU A 33 -0.940 -1.524 2.499 1.00 0.00 O ATOM 451 OE2 GLU A 33 -1.648 -2.862 0.905 1.00 0.00 O ATOM 0 H GLU A 33 0.054 -6.363 4.747 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.782 -5.732 4.472 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.931 -4.011 4.756 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.343 -4.466 3.169 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.026 -3.983 2.677 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.660 -2.802 3.920 1.00 0.00 H new ATOM 458 N GLU A 34 -0.958 -7.070 2.091 1.00 0.00 N ATOM 459 CA GLU A 34 -1.022 -7.740 0.798 1.00 0.00 C ATOM 460 C GLU A 34 -1.661 -9.120 0.925 1.00 0.00 C ATOM 461 O GLU A 34 -2.225 -9.644 -0.037 1.00 0.00 O ATOM 462 CB GLU A 34 0.380 -7.870 0.199 1.00 0.00 C ATOM 463 CG GLU A 34 0.379 -8.161 -1.293 1.00 0.00 C ATOM 464 CD GLU A 34 1.769 -8.440 -1.833 1.00 0.00 C ATOM 465 OE1 GLU A 34 2.641 -7.554 -1.713 1.00 0.00 O ATOM 466 OE2 GLU A 34 1.984 -9.544 -2.376 1.00 0.00 O ATOM 0 H GLU A 34 -0.043 -7.106 2.540 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.641 -7.134 0.136 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.931 -6.947 0.380 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.915 -8.667 0.716 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.263 -9.019 -1.492 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.050 -7.312 -1.825 1.00 0.00 H new ATOM 473 N LYS A 35 -1.568 -9.707 2.115 1.00 0.00 N ATOM 474 CA LYS A 35 -2.136 -11.028 2.362 1.00 0.00 C ATOM 475 C LYS A 35 -3.615 -10.932 2.721 1.00 0.00 C ATOM 476 O LYS A 35 -4.389 -11.850 2.448 1.00 0.00 O ATOM 477 CB LYS A 35 -1.371 -11.732 3.483 1.00 0.00 C ATOM 478 CG LYS A 35 0.035 -12.152 3.088 1.00 0.00 C ATOM 479 CD LYS A 35 0.032 -13.476 2.339 1.00 0.00 C ATOM 480 CE LYS A 35 0.135 -13.266 0.837 1.00 0.00 C ATOM 481 NZ LYS A 35 1.270 -12.371 0.478 1.00 0.00 N ATOM 0 H LYS A 35 -1.105 -9.289 2.922 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.044 -11.610 1.445 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.314 -11.068 4.346 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.930 -12.614 3.796 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.484 -11.380 2.463 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.654 -12.239 3.981 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.866 -14.090 2.680 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.882 -14.023 2.569 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.262 -14.230 0.344 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.796 -12.838 0.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.654 -12.652 -0.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.935 -11.388 0.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.014 -12.448 1.200 1.00 0.00 H new ATOM 495 N ARG A 36 -4.005 -9.818 3.334 1.00 0.00 N ATOM 496 CA ARG A 36 -5.394 -9.610 3.729 1.00 0.00 C ATOM 497 C ARG A 36 -6.323 -9.707 2.523 1.00 0.00 C ATOM 498 O ARG A 36 -7.250 -10.517 2.504 1.00 0.00 O ATOM 499 CB ARG A 36 -5.561 -8.249 4.406 1.00 0.00 C ATOM 500 CG ARG A 36 -6.884 -8.097 5.140 1.00 0.00 C ATOM 501 CD ARG A 36 -7.059 -6.695 5.704 1.00 0.00 C ATOM 502 NE ARG A 36 -5.845 -6.208 6.356 1.00 0.00 N ATOM 503 CZ ARG A 36 -4.915 -5.471 5.750 1.00 0.00 C ATOM 504 NH1 ARG A 36 -5.040 -5.147 4.468 1.00 0.00 N ATOM 505 NH2 ARG A 36 -3.853 -5.060 6.429 1.00 0.00 N ATOM 0 H ARG A 36 -3.380 -9.047 3.568 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.662 -10.394 4.438 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.744 -8.100 5.111 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.480 -7.465 3.653 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.705 -8.320 4.459 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.936 -8.824 5.951 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.336 -6.013 4.900 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.880 -6.693 6.421 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.701 -6.447 7.337 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.853 -5.463 3.939 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.323 -4.582 4.012 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.749 -5.308 7.413 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.140 -4.496 5.967 1.00 0.00 H new ATOM 519 N ARG A 37 -6.067 -8.877 1.517 1.00 0.00 N ATOM 520 CA ARG A 37 -6.880 -8.869 0.307 1.00 0.00 C ATOM 521 C ARG A 37 -6.866 -10.238 -0.368 1.00 0.00 C ATOM 522 O ARG A 37 -7.835 -10.632 -1.016 1.00 0.00 O ATOM 523 CB ARG A 37 -6.376 -7.800 -0.665 1.00 0.00 C ATOM 524 CG ARG A 37 -7.492 -7.044 -1.369 1.00 0.00 C ATOM 525 CD ARG A 37 -7.280 -5.539 -1.296 1.00 0.00 C ATOM 526 NE ARG A 37 -6.552 -5.032 -2.458 1.00 0.00 N ATOM 527 CZ ARG A 37 -7.113 -4.805 -3.643 1.00 0.00 C ATOM 528 NH1 ARG A 37 -8.406 -5.042 -3.830 1.00 0.00 N ATOM 529 NH2 ARG A 37 -6.381 -4.340 -4.646 1.00 0.00 N ATOM 0 H ARG A 37 -5.303 -8.201 1.516 1.00 0.00 H new ATOM 0 HA ARG A 37 -7.906 -8.636 0.590 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.754 -7.089 -0.120 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.740 -8.272 -1.413 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.541 -7.355 -2.412 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -8.449 -7.300 -0.914 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -8.246 -5.040 -1.227 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -6.729 -5.294 -0.388 1.00 0.00 H new ATOM 0 HE ARG A 37 -5.555 -4.841 -2.354 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -8.975 -5.400 -3.063 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.830 -4.866 -4.741 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.387 -4.156 -4.510 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -6.812 -4.166 -5.554 1.00 0.00 H new ATOM 543 N GLN A 38 -5.760 -10.958 -0.213 1.00 0.00 N ATOM 544 CA GLN A 38 -5.620 -12.282 -0.807 1.00 0.00 C ATOM 545 C GLN A 38 -6.403 -13.320 -0.009 1.00 0.00 C ATOM 546 O GLN A 38 -7.078 -14.178 -0.579 1.00 0.00 O ATOM 547 CB GLN A 38 -4.145 -12.683 -0.875 1.00 0.00 C ATOM 548 CG GLN A 38 -3.393 -12.042 -2.029 1.00 0.00 C ATOM 549 CD GLN A 38 -2.240 -12.895 -2.520 1.00 0.00 C ATOM 550 OE1 GLN A 38 -2.291 -14.123 -2.457 1.00 0.00 O ATOM 551 NE2 GLN A 38 -1.191 -12.247 -3.012 1.00 0.00 N ATOM 0 H GLN A 38 -4.947 -10.647 0.319 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.025 -12.243 -1.818 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.659 -12.409 0.061 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.076 -13.767 -0.965 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.084 -11.863 -2.853 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.013 -11.070 -1.715 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.191 -11.228 -3.045 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.385 -12.769 -3.357 1.00 0.00 H new ATOM 560 N LEU A 39 -6.309 -13.234 1.314 1.00 0.00 N ATOM 561 CA LEU A 39 -7.009 -14.164 2.193 1.00 0.00 C ATOM 562 C LEU A 39 -8.514 -13.918 2.159 1.00 0.00 C ATOM 563 O LEU A 39 -9.307 -14.841 2.334 1.00 0.00 O ATOM 564 CB LEU A 39 -6.492 -14.030 3.627 1.00 0.00 C ATOM 565 CG LEU A 39 -5.265 -14.881 3.954 1.00 0.00 C ATOM 566 CD1 LEU A 39 -4.745 -14.555 5.345 1.00 0.00 C ATOM 567 CD2 LEU A 39 -5.599 -16.361 3.842 1.00 0.00 C ATOM 0 H LEU A 39 -5.755 -12.530 1.801 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.816 -15.176 1.837 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.250 -12.984 3.814 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.295 -14.299 4.313 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.482 -14.649 3.232 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.872 -15.170 5.560 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.468 -13.502 5.392 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.523 -14.759 6.081 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.714 -16.953 4.078 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.398 -16.608 4.541 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.925 -16.585 2.826 1.00 0.00 H new ATOM 579 N GLN A 40 -8.899 -12.666 1.932 1.00 0.00 N ATOM 580 CA GLN A 40 -10.310 -12.298 1.876 1.00 0.00 C ATOM 581 C GLN A 40 -11.000 -12.974 0.694 1.00 0.00 C ATOM 582 O GLN A 40 -12.117 -13.475 0.819 1.00 0.00 O ATOM 583 CB GLN A 40 -10.457 -10.778 1.772 1.00 0.00 C ATOM 584 CG GLN A 40 -11.319 -10.176 2.870 1.00 0.00 C ATOM 585 CD GLN A 40 -11.272 -8.660 2.883 1.00 0.00 C ATOM 586 OE1 GLN A 40 -12.149 -7.996 2.331 1.00 0.00 O ATOM 587 NE2 GLN A 40 -10.244 -8.106 3.514 1.00 0.00 N ATOM 0 H GLN A 40 -8.254 -11.890 1.784 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.788 -12.638 2.794 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -9.468 -10.322 1.807 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -10.890 -10.528 0.803 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.350 -10.503 2.737 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -10.986 -10.554 3.837 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -9.540 -8.696 3.958 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -10.158 -7.090 3.555 1.00 0.00 H new ATOM 596 N GLU A 41 -10.328 -12.981 -0.453 1.00 0.00 N ATOM 597 CA GLU A 41 -10.875 -13.594 -1.657 1.00 0.00 C ATOM 598 C GLU A 41 -11.043 -15.100 -1.475 1.00 0.00 C ATOM 599 O GLU A 41 -12.038 -15.680 -1.911 1.00 0.00 O ATOM 600 CB GLU A 41 -9.969 -13.311 -2.856 1.00 0.00 C ATOM 601 CG GLU A 41 -9.718 -11.831 -3.093 1.00 0.00 C ATOM 602 CD GLU A 41 -10.103 -11.390 -4.492 1.00 0.00 C ATOM 603 OE1 GLU A 41 -11.015 -12.007 -5.080 1.00 0.00 O ATOM 604 OE2 GLU A 41 -9.491 -10.426 -5.000 1.00 0.00 O ATOM 0 H GLU A 41 -9.403 -12.568 -0.573 1.00 0.00 H new ATOM 0 HA GLU A 41 -11.857 -13.158 -1.842 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.014 -13.813 -2.705 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.419 -13.743 -3.750 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.283 -11.249 -2.365 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.663 -11.614 -2.925 1.00 0.00 H new ATOM 611 N GLU A 42 -10.065 -15.726 -0.830 1.00 0.00 N ATOM 612 CA GLU A 42 -10.105 -17.164 -0.591 1.00 0.00 C ATOM 613 C GLU A 42 -10.996 -17.493 0.602 1.00 0.00 C ATOM 614 O GLU A 42 -11.614 -18.556 0.655 1.00 0.00 O ATOM 615 CB GLU A 42 -8.694 -17.702 -0.351 1.00 0.00 C ATOM 616 CG GLU A 42 -7.881 -17.865 -1.625 1.00 0.00 C ATOM 617 CD GLU A 42 -7.122 -19.177 -1.670 1.00 0.00 C ATOM 618 OE1 GLU A 42 -6.798 -19.712 -0.589 1.00 0.00 O ATOM 619 OE2 GLU A 42 -6.854 -19.670 -2.786 1.00 0.00 O ATOM 0 H GLU A 42 -9.235 -15.260 -0.463 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.523 -17.642 -1.477 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.166 -17.027 0.323 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.762 -18.666 0.153 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.547 -17.805 -2.486 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.175 -17.038 -1.709 1.00 0.00 H new ATOM 626 N ARG A 43 -11.058 -16.572 1.560 1.00 0.00 N ATOM 627 CA ARG A 43 -11.874 -16.764 2.753 1.00 0.00 C ATOM 628 C ARG A 43 -12.714 -15.523 3.043 1.00 0.00 C ATOM 629 O ARG A 43 -12.351 -14.700 3.884 1.00 0.00 O ATOM 630 CB ARG A 43 -10.986 -17.085 3.956 1.00 0.00 C ATOM 631 CG ARG A 43 -10.296 -18.436 3.860 1.00 0.00 C ATOM 632 CD ARG A 43 -11.244 -19.572 4.213 1.00 0.00 C ATOM 633 NE ARG A 43 -12.169 -19.872 3.124 1.00 0.00 N ATOM 634 CZ ARG A 43 -13.305 -20.548 3.281 1.00 0.00 C ATOM 635 NH1 ARG A 43 -13.658 -20.999 4.479 1.00 0.00 N ATOM 636 NH2 ARG A 43 -14.090 -20.777 2.236 1.00 0.00 N ATOM 0 H ARG A 43 -10.553 -15.686 1.533 1.00 0.00 H new ATOM 0 HA ARG A 43 -12.547 -17.602 2.572 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -10.230 -16.307 4.057 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -11.592 -17.060 4.862 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.914 -18.580 2.849 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -9.437 -18.456 4.531 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -10.666 -20.464 4.454 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.810 -19.308 5.106 1.00 0.00 H new ATOM 0 HE ARG A 43 -11.931 -19.544 2.188 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -13.057 -20.828 5.286 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -14.530 -21.516 4.593 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -13.823 -20.435 1.313 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -14.961 -21.295 2.356 1.00 0.00 H new ATOM 650 N PRO A 44 -13.854 -15.371 2.347 1.00 0.00 N ATOM 651 CA PRO A 44 -14.747 -14.222 2.534 1.00 0.00 C ATOM 652 C PRO A 44 -15.417 -14.221 3.906 1.00 0.00 C ATOM 653 O PRO A 44 -16.009 -13.223 4.315 1.00 0.00 O ATOM 654 CB PRO A 44 -15.791 -14.394 1.429 1.00 0.00 C ATOM 655 CG PRO A 44 -15.778 -15.851 1.115 1.00 0.00 C ATOM 656 CD PRO A 44 -14.361 -16.306 1.325 1.00 0.00 C ATOM 0 HA PRO A 44 -14.206 -13.277 2.482 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -16.777 -14.070 1.763 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -15.540 -13.798 0.552 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -16.463 -16.396 1.764 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -16.098 -16.032 0.089 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.317 -17.340 1.668 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.780 -16.250 0.405 1.00 0.00 H new ATOM 664 N GLU A 45 -15.323 -15.345 4.613 1.00 0.00 N ATOM 665 CA GLU A 45 -15.922 -15.464 5.937 1.00 0.00 C ATOM 666 C GLU A 45 -15.068 -14.758 6.985 1.00 0.00 C ATOM 667 O GLU A 45 -15.584 -14.250 7.981 1.00 0.00 O ATOM 668 CB GLU A 45 -16.095 -16.939 6.308 1.00 0.00 C ATOM 669 CG GLU A 45 -17.416 -17.241 6.997 1.00 0.00 C ATOM 670 CD GLU A 45 -18.023 -18.553 6.540 1.00 0.00 C ATOM 671 OE1 GLU A 45 -18.569 -18.595 5.417 1.00 0.00 O ATOM 672 OE2 GLU A 45 -17.954 -19.538 7.305 1.00 0.00 O ATOM 0 H GLU A 45 -14.839 -16.183 4.291 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.901 -14.986 5.913 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.019 -17.544 5.404 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.276 -17.239 6.962 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.261 -17.272 8.075 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.118 -16.431 6.800 1.00 0.00 H new ATOM 679 N LEU A 46 -13.760 -14.732 6.754 1.00 0.00 N ATOM 680 CA LEU A 46 -12.833 -14.088 7.678 1.00 0.00 C ATOM 681 C LEU A 46 -12.718 -12.596 7.380 1.00 0.00 C ATOM 682 O LEU A 46 -12.107 -12.195 6.390 1.00 0.00 O ATOM 683 CB LEU A 46 -11.455 -14.745 7.588 1.00 0.00 C ATOM 684 CG LEU A 46 -11.418 -16.227 7.969 1.00 0.00 C ATOM 685 CD1 LEU A 46 -10.070 -16.834 7.614 1.00 0.00 C ATOM 686 CD2 LEU A 46 -11.712 -16.403 9.451 1.00 0.00 C ATOM 0 H LEU A 46 -13.318 -15.149 5.935 1.00 0.00 H new ATOM 0 HA LEU A 46 -13.221 -14.210 8.689 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.084 -14.638 6.569 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.767 -14.202 8.236 1.00 0.00 H new ATOM 0 HG LEU A 46 -12.189 -16.749 7.402 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.061 -17.888 7.892 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.900 -16.740 6.542 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.281 -16.310 8.154 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.682 -17.463 9.705 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.964 -15.868 10.036 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -12.701 -16.004 9.676 1.00 0.00 H new ATOM 698 N SER A 47 -13.309 -11.779 8.247 1.00 0.00 N ATOM 699 CA SER A 47 -13.273 -10.330 8.078 1.00 0.00 C ATOM 700 C SER A 47 -11.861 -9.793 8.284 1.00 0.00 C ATOM 701 O SER A 47 -10.942 -10.543 8.613 1.00 0.00 O ATOM 702 CB SER A 47 -14.236 -9.658 9.059 1.00 0.00 C ATOM 703 OG SER A 47 -15.330 -10.505 9.361 1.00 0.00 O ATOM 0 H SER A 47 -13.818 -12.095 9.073 1.00 0.00 H new ATOM 0 HA SER A 47 -13.584 -10.100 7.059 1.00 0.00 H new ATOM 0 HB2 SER A 47 -13.706 -9.403 9.976 1.00 0.00 H new ATOM 0 HB3 SER A 47 -14.602 -8.724 8.632 1.00 0.00 H new ATOM 0 HG SER A 47 -15.929 -10.053 9.991 1.00 0.00 H new ATOM 709 N GLU A 48 -11.695 -8.488 8.088 1.00 0.00 N ATOM 710 CA GLU A 48 -10.395 -7.850 8.252 1.00 0.00 C ATOM 711 C GLU A 48 -9.967 -7.855 9.716 1.00 0.00 C ATOM 712 O GLU A 48 -8.793 -8.046 10.030 1.00 0.00 O ATOM 713 CB GLU A 48 -10.438 -6.413 7.727 1.00 0.00 C ATOM 714 CG GLU A 48 -10.677 -6.321 6.229 1.00 0.00 C ATOM 715 CD GLU A 48 -11.620 -5.193 5.857 1.00 0.00 C ATOM 716 OE1 GLU A 48 -12.850 -5.397 5.936 1.00 0.00 O ATOM 717 OE2 GLU A 48 -11.128 -4.106 5.487 1.00 0.00 O ATOM 0 H GLU A 48 -12.445 -7.853 7.815 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.665 -8.419 7.676 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -11.226 -5.868 8.247 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.497 -5.918 7.968 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -9.724 -6.175 5.721 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.087 -7.265 5.872 1.00 0.00 H new ATOM 724 N SER A 49 -10.928 -7.642 10.609 1.00 0.00 N ATOM 725 CA SER A 49 -10.651 -7.620 12.040 1.00 0.00 C ATOM 726 C SER A 49 -10.076 -8.956 12.504 1.00 0.00 C ATOM 727 O SER A 49 -9.228 -9.003 13.393 1.00 0.00 O ATOM 728 CB SER A 49 -11.924 -7.301 12.824 1.00 0.00 C ATOM 729 OG SER A 49 -12.564 -6.145 12.309 1.00 0.00 O ATOM 0 H SER A 49 -11.906 -7.482 10.366 1.00 0.00 H new ATOM 0 HA SER A 49 -9.912 -6.841 12.228 1.00 0.00 H new ATOM 0 HB2 SER A 49 -12.606 -8.150 12.777 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.679 -7.147 13.875 1.00 0.00 H new ATOM 0 HG SER A 49 -13.376 -5.963 12.826 1.00 0.00 H new ATOM 735 N GLU A 50 -10.546 -10.039 11.893 1.00 0.00 N ATOM 736 CA GLU A 50 -10.079 -11.376 12.242 1.00 0.00 C ATOM 737 C GLU A 50 -8.809 -11.727 11.476 1.00 0.00 C ATOM 738 O GLU A 50 -7.958 -12.467 11.970 1.00 0.00 O ATOM 739 CB GLU A 50 -11.168 -12.411 11.952 1.00 0.00 C ATOM 740 CG GLU A 50 -12.535 -12.022 12.489 1.00 0.00 C ATOM 741 CD GLU A 50 -12.715 -12.391 13.948 1.00 0.00 C ATOM 742 OE1 GLU A 50 -11.755 -12.218 14.727 1.00 0.00 O ATOM 743 OE2 GLU A 50 -13.816 -12.854 14.311 1.00 0.00 O ATOM 0 H GLU A 50 -11.249 -10.017 11.154 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.852 -11.387 13.308 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.239 -12.559 10.874 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.875 -13.367 12.387 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.676 -10.948 12.370 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -13.307 -12.512 11.896 1.00 0.00 H new ATOM 750 N LEU A 51 -8.686 -11.191 10.266 1.00 0.00 N ATOM 751 CA LEU A 51 -7.518 -11.447 9.431 1.00 0.00 C ATOM 752 C LEU A 51 -6.262 -10.842 10.051 1.00 0.00 C ATOM 753 O LEU A 51 -5.158 -11.349 9.858 1.00 0.00 O ATOM 754 CB LEU A 51 -7.734 -10.876 8.027 1.00 0.00 C ATOM 755 CG LEU A 51 -8.600 -11.736 7.105 1.00 0.00 C ATOM 756 CD1 LEU A 51 -8.931 -10.981 5.827 1.00 0.00 C ATOM 757 CD2 LEU A 51 -7.898 -13.047 6.786 1.00 0.00 C ATOM 0 H LEU A 51 -9.381 -10.577 9.842 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.382 -12.526 9.360 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.193 -9.892 8.118 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.761 -10.731 7.556 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.533 -11.963 7.620 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.548 -11.608 5.183 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.475 -10.069 6.074 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.008 -10.724 5.307 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.528 -13.647 6.129 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.950 -12.841 6.290 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.713 -13.595 7.710 1.00 0.00 H new ATOM 769 N THR A 52 -6.440 -9.754 10.794 1.00 0.00 N ATOM 770 CA THR A 52 -5.320 -9.079 11.442 1.00 0.00 C ATOM 771 C THR A 52 -4.564 -10.033 12.361 1.00 0.00 C ATOM 772 O THR A 52 -3.336 -10.002 12.430 1.00 0.00 O ATOM 773 CB THR A 52 -5.818 -7.872 12.238 1.00 0.00 C ATOM 774 OG1 THR A 52 -6.657 -7.056 11.440 1.00 0.00 O ATOM 775 CG2 THR A 52 -4.698 -7.001 12.767 1.00 0.00 C ATOM 0 H THR A 52 -7.348 -9.321 10.962 1.00 0.00 H new ATOM 0 HA THR A 52 -4.636 -8.737 10.665 1.00 0.00 H new ATOM 0 HB THR A 52 -6.363 -8.289 13.085 1.00 0.00 H new ATOM 0 HG1 THR A 52 -7.440 -7.572 11.155 1.00 0.00 H new ATOM 0 HG21 THR A 52 -5.120 -6.163 13.322 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.060 -7.589 13.427 1.00 0.00 H new ATOM 0 HG23 THR A 52 -4.106 -6.623 11.933 1.00 0.00 H new ATOM 783 N ARG A 53 -5.307 -10.880 13.067 1.00 0.00 N ATOM 784 CA ARG A 53 -4.705 -11.843 13.983 1.00 0.00 C ATOM 785 C ARG A 53 -4.027 -12.972 13.214 1.00 0.00 C ATOM 786 O ARG A 53 -2.936 -13.416 13.575 1.00 0.00 O ATOM 787 CB ARG A 53 -5.765 -12.416 14.924 1.00 0.00 C ATOM 788 CG ARG A 53 -6.625 -11.354 15.591 1.00 0.00 C ATOM 789 CD ARG A 53 -5.798 -10.450 16.491 1.00 0.00 C ATOM 790 NE ARG A 53 -6.188 -9.048 16.365 1.00 0.00 N ATOM 791 CZ ARG A 53 -7.254 -8.519 16.962 1.00 0.00 C ATOM 792 NH1 ARG A 53 -8.038 -9.271 17.725 1.00 0.00 N ATOM 793 NH2 ARG A 53 -7.538 -7.234 16.795 1.00 0.00 N ATOM 0 H ARG A 53 -6.325 -10.919 13.023 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.950 -11.323 14.573 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.409 -13.093 14.363 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.272 -13.009 15.694 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.121 -10.754 14.828 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.408 -11.834 16.177 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.913 -10.767 17.528 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.742 -10.557 16.241 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.610 -8.439 15.786 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.825 -10.260 17.857 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -8.853 -8.860 18.180 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.940 -6.651 16.209 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -8.355 -6.829 17.252 1.00 0.00 H new ATOM 807 N LEU A 54 -4.681 -13.435 12.153 1.00 0.00 N ATOM 808 CA LEU A 54 -4.141 -14.514 11.334 1.00 0.00 C ATOM 809 C LEU A 54 -2.931 -14.037 10.537 1.00 0.00 C ATOM 810 O LEU A 54 -1.999 -14.802 10.287 1.00 0.00 O ATOM 811 CB LEU A 54 -5.215 -15.047 10.383 1.00 0.00 C ATOM 812 CG LEU A 54 -4.873 -16.370 9.697 1.00 0.00 C ATOM 813 CD1 LEU A 54 -4.935 -17.518 10.692 1.00 0.00 C ATOM 814 CD2 LEU A 54 -5.814 -16.622 8.528 1.00 0.00 C ATOM 0 H LEU A 54 -5.585 -13.080 11.841 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.823 -15.318 11.998 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.143 -15.174 10.941 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.405 -14.296 9.616 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.856 -16.306 9.311 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.689 -18.452 10.186 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.221 -17.342 11.496 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.940 -17.585 11.108 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.557 -17.568 8.051 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.841 -16.666 8.891 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.719 -15.813 7.804 1.00 0.00 H new ATOM 826 N LEU A 55 -2.953 -12.770 10.140 1.00 0.00 N ATOM 827 CA LEU A 55 -1.857 -12.191 9.371 1.00 0.00 C ATOM 828 C LEU A 55 -0.591 -12.090 10.216 1.00 0.00 C ATOM 829 O LEU A 55 0.520 -12.256 9.711 1.00 0.00 O ATOM 830 CB LEU A 55 -2.248 -10.805 8.851 1.00 0.00 C ATOM 831 CG LEU A 55 -3.322 -10.803 7.762 1.00 0.00 C ATOM 832 CD1 LEU A 55 -4.103 -9.498 7.787 1.00 0.00 C ATOM 833 CD2 LEU A 55 -2.695 -11.024 6.395 1.00 0.00 C ATOM 0 H LEU A 55 -3.717 -12.124 10.338 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.655 -12.847 8.524 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.601 -10.205 9.690 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.356 -10.315 8.461 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.014 -11.622 7.959 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.863 -9.514 7.006 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.584 -9.380 8.758 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.423 -8.664 7.615 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.474 -11.020 5.632 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.981 -10.227 6.189 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.180 -11.985 6.382 1.00 0.00 H new ATOM 845 N ALA A 56 -0.766 -11.816 11.505 1.00 0.00 N ATOM 846 CA ALA A 56 0.362 -11.693 12.420 1.00 0.00 C ATOM 847 C ALA A 56 1.071 -13.030 12.603 1.00 0.00 C ATOM 848 O ALA A 56 2.288 -13.080 12.779 1.00 0.00 O ATOM 849 CB ALA A 56 -0.106 -11.154 13.764 1.00 0.00 C ATOM 0 H ALA A 56 -1.678 -11.675 11.939 1.00 0.00 H new ATOM 0 HA ALA A 56 1.074 -10.991 11.986 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.746 -11.067 14.438 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.560 -10.173 13.624 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.840 -11.836 14.194 1.00 0.00 H new ATOM 855 N ARG A 57 0.301 -14.112 12.561 1.00 0.00 N ATOM 856 CA ARG A 57 0.856 -15.451 12.723 1.00 0.00 C ATOM 857 C ARG A 57 1.483 -15.941 11.422 1.00 0.00 C ATOM 858 O ARG A 57 2.456 -16.695 11.436 1.00 0.00 O ATOM 859 CB ARG A 57 -0.234 -16.424 13.178 1.00 0.00 C ATOM 860 CG ARG A 57 0.296 -17.599 13.981 1.00 0.00 C ATOM 861 CD ARG A 57 -0.647 -18.792 13.916 1.00 0.00 C ATOM 862 NE ARG A 57 0.050 -20.022 13.549 1.00 0.00 N ATOM 863 CZ ARG A 57 -0.562 -21.115 13.100 1.00 0.00 C ATOM 864 NH1 ARG A 57 -1.881 -21.135 12.960 1.00 0.00 N ATOM 865 NH2 ARG A 57 0.148 -22.191 12.789 1.00 0.00 N ATOM 0 H ARG A 57 -0.708 -14.088 12.416 1.00 0.00 H new ATOM 0 HA ARG A 57 1.635 -15.406 13.485 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.964 -15.883 13.780 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.761 -16.802 12.302 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.276 -17.888 13.601 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.433 -17.299 15.020 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.131 -18.925 14.884 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.435 -18.592 13.190 1.00 0.00 H new ATOM 0 HE ARG A 57 1.065 -20.044 13.642 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.432 -20.310 13.197 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -2.345 -21.976 12.615 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.163 -22.180 12.894 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -0.320 -23.029 12.445 1.00 0.00 H new ATOM 879 N MET A 58 0.917 -15.510 10.300 1.00 0.00 N ATOM 880 CA MET A 58 1.421 -15.906 8.989 1.00 0.00 C ATOM 881 C MET A 58 2.809 -15.325 8.742 1.00 0.00 C ATOM 882 O MET A 58 3.647 -15.948 8.089 1.00 0.00 O ATOM 883 CB MET A 58 0.460 -15.446 7.891 1.00 0.00 C ATOM 884 CG MET A 58 -0.806 -16.283 7.799 1.00 0.00 C ATOM 885 SD MET A 58 -1.294 -16.625 6.097 1.00 0.00 S ATOM 886 CE MET A 58 -1.536 -14.963 5.474 1.00 0.00 C ATOM 0 H MET A 58 0.110 -14.887 10.271 1.00 0.00 H new ATOM 0 HA MET A 58 1.493 -16.993 8.968 1.00 0.00 H new ATOM 0 HB2 MET A 58 0.186 -14.407 8.072 1.00 0.00 H new ATOM 0 HB3 MET A 58 0.976 -15.477 6.932 1.00 0.00 H new ATOM 0 HG2 MET A 58 -0.652 -17.225 8.325 1.00 0.00 H new ATOM 0 HG3 MET A 58 -1.618 -15.763 8.308 1.00 0.00 H new ATOM 0 HE1 MET A 58 -2.072 -15.004 4.526 1.00 0.00 H new ATOM 0 HE2 MET A 58 -2.116 -14.385 6.194 1.00 0.00 H new ATOM 0 HE3 MET A 58 -0.567 -14.487 5.322 1.00 0.00 H new ATOM 896 N TRP A 59 3.046 -14.127 9.267 1.00 0.00 N ATOM 897 CA TRP A 59 4.333 -13.461 9.103 1.00 0.00 C ATOM 898 C TRP A 59 5.457 -14.293 9.711 1.00 0.00 C ATOM 899 O TRP A 59 6.539 -14.408 9.136 1.00 0.00 O ATOM 900 CB TRP A 59 4.300 -12.076 9.751 1.00 0.00 C ATOM 901 CG TRP A 59 5.571 -11.304 9.567 1.00 0.00 C ATOM 902 CD1 TRP A 59 6.418 -10.875 10.548 1.00 0.00 C ATOM 903 CD2 TRP A 59 6.139 -10.870 8.327 1.00 0.00 C ATOM 904 NE1 TRP A 59 7.479 -10.201 9.993 1.00 0.00 N ATOM 905 CE2 TRP A 59 7.331 -10.183 8.631 1.00 0.00 C ATOM 906 CE3 TRP A 59 5.757 -10.994 6.988 1.00 0.00 C ATOM 907 CZ2 TRP A 59 8.140 -9.625 7.646 1.00 0.00 C ATOM 908 CZ3 TRP A 59 6.563 -10.440 6.012 1.00 0.00 C ATOM 909 CH2 TRP A 59 7.742 -9.764 6.345 1.00 0.00 C ATOM 0 H TRP A 59 2.364 -13.598 9.810 1.00 0.00 H new ATOM 0 HA TRP A 59 4.524 -13.351 8.036 1.00 0.00 H new ATOM 0 HB2 TRP A 59 3.472 -11.505 9.330 1.00 0.00 H new ATOM 0 HB3 TRP A 59 4.101 -12.186 10.817 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.275 -11.041 11.606 1.00 0.00 H new ATOM 0 HE1 TRP A 59 8.251 -9.782 10.511 1.00 0.00 H new ATOM 0 HE3 TRP A 59 4.848 -11.513 6.721 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 9.050 -9.101 7.900 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 6.278 -10.530 4.974 1.00 0.00 H new ATOM 0 HH2 TRP A 59 8.350 -9.343 5.558 1.00 0.00 H new ATOM 920 N ASN A 60 5.192 -14.872 10.878 1.00 0.00 N ATOM 921 CA ASN A 60 6.182 -15.693 11.566 1.00 0.00 C ATOM 922 C ASN A 60 6.438 -16.989 10.803 1.00 0.00 C ATOM 923 O ASN A 60 7.546 -17.526 10.827 1.00 0.00 O ATOM 924 CB ASN A 60 5.714 -16.008 12.988 1.00 0.00 C ATOM 925 CG ASN A 60 5.596 -14.764 13.846 1.00 0.00 C ATOM 926 OD1 ASN A 60 6.425 -13.858 13.765 1.00 0.00 O ATOM 927 ND2 ASN A 60 4.560 -14.713 14.675 1.00 0.00 N ATOM 0 H ASN A 60 4.301 -14.788 11.367 1.00 0.00 H new ATOM 0 HA ASN A 60 7.115 -15.131 11.614 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.748 -16.511 12.947 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.415 -16.702 13.453 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.428 -13.900 15.277 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.896 -15.487 14.710 1.00 0.00 H new ATOM 934 N ASP A 61 5.407 -17.485 10.128 1.00 0.00 N ATOM 935 CA ASP A 61 5.522 -18.718 9.358 1.00 0.00 C ATOM 936 C ASP A 61 6.500 -18.547 8.199 1.00 0.00 C ATOM 937 O ASP A 61 7.162 -19.499 7.786 1.00 0.00 O ATOM 938 CB ASP A 61 4.150 -19.142 8.829 1.00 0.00 C ATOM 939 CG ASP A 61 3.822 -20.584 9.163 1.00 0.00 C ATOM 940 OD1 ASP A 61 3.330 -20.837 10.283 1.00 0.00 O ATOM 941 OD2 ASP A 61 4.057 -21.461 8.305 1.00 0.00 O ATOM 0 H ASP A 61 4.483 -17.053 10.098 1.00 0.00 H new ATOM 0 HA ASP A 61 5.905 -19.496 10.018 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.384 -18.491 9.251 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.123 -19.007 7.748 1.00 0.00 H new ATOM 946 N LEU A 62 6.584 -17.326 7.679 1.00 0.00 N ATOM 947 CA LEU A 62 7.481 -17.030 6.567 1.00 0.00 C ATOM 948 C LEU A 62 8.930 -17.325 6.942 1.00 0.00 C ATOM 949 O LEU A 62 9.217 -17.752 8.060 1.00 0.00 O ATOM 950 CB LEU A 62 7.340 -15.564 6.148 1.00 0.00 C ATOM 951 CG LEU A 62 6.096 -15.244 5.319 1.00 0.00 C ATOM 952 CD1 LEU A 62 6.103 -13.787 4.888 1.00 0.00 C ATOM 953 CD2 LEU A 62 6.013 -16.160 4.107 1.00 0.00 C ATOM 0 H LEU A 62 6.043 -16.527 8.009 1.00 0.00 H new ATOM 0 HA LEU A 62 7.204 -17.670 5.729 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.329 -14.945 7.045 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.223 -15.279 5.575 1.00 0.00 H new ATOM 0 HG LEU A 62 5.216 -15.414 5.939 1.00 0.00 H new ATOM 0 HD11 LEU A 62 5.210 -13.578 4.299 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.114 -13.147 5.770 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.990 -13.590 4.285 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.121 -15.918 3.528 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.898 -16.022 3.485 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.960 -17.197 4.438 1.00 0.00 H new ATOM 965 N SER A 63 9.837 -17.094 6.000 1.00 0.00 N ATOM 966 CA SER A 63 11.257 -17.334 6.230 1.00 0.00 C ATOM 967 C SER A 63 12.094 -16.163 5.725 1.00 0.00 C ATOM 968 O SER A 63 11.571 -15.233 5.111 1.00 0.00 O ATOM 969 CB SER A 63 11.696 -18.625 5.539 1.00 0.00 C ATOM 970 OG SER A 63 11.602 -19.733 6.418 1.00 0.00 O ATOM 0 H SER A 63 9.614 -16.741 5.069 1.00 0.00 H new ATOM 0 HA SER A 63 11.414 -17.434 7.304 1.00 0.00 H new ATOM 0 HB2 SER A 63 11.075 -18.800 4.661 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.723 -18.522 5.188 1.00 0.00 H new ATOM 0 HG SER A 63 11.887 -20.546 5.951 1.00 0.00 H new ATOM 976 N GLU A 64 13.395 -16.215 5.989 1.00 0.00 N ATOM 977 CA GLU A 64 14.304 -15.158 5.562 1.00 0.00 C ATOM 978 C GLU A 64 14.303 -15.018 4.043 1.00 0.00 C ATOM 979 O GLU A 64 14.533 -13.932 3.510 1.00 0.00 O ATOM 980 CB GLU A 64 15.722 -15.446 6.056 1.00 0.00 C ATOM 981 CG GLU A 64 15.847 -15.467 7.572 1.00 0.00 C ATOM 982 CD GLU A 64 16.120 -16.856 8.117 1.00 0.00 C ATOM 983 OE1 GLU A 64 15.341 -17.780 7.803 1.00 0.00 O ATOM 984 OE2 GLU A 64 17.111 -17.019 8.858 1.00 0.00 O ATOM 0 H GLU A 64 13.844 -16.978 6.497 1.00 0.00 H new ATOM 0 HA GLU A 64 13.958 -14.220 5.996 1.00 0.00 H new ATOM 0 HB2 GLU A 64 16.047 -16.408 5.660 1.00 0.00 H new ATOM 0 HB3 GLU A 64 16.398 -14.691 5.655 1.00 0.00 H new ATOM 0 HG2 GLU A 64 16.652 -14.797 7.876 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.928 -15.082 8.014 1.00 0.00 H new ATOM 991 N LYS A 65 14.045 -16.123 3.350 1.00 0.00 N ATOM 992 CA LYS A 65 14.016 -16.122 1.892 1.00 0.00 C ATOM 993 C LYS A 65 12.716 -15.521 1.370 1.00 0.00 C ATOM 994 O LYS A 65 12.703 -14.837 0.346 1.00 0.00 O ATOM 995 CB LYS A 65 14.184 -17.547 1.358 1.00 0.00 C ATOM 996 CG LYS A 65 15.325 -18.309 2.011 1.00 0.00 C ATOM 997 CD LYS A 65 15.646 -19.588 1.254 1.00 0.00 C ATOM 998 CE LYS A 65 16.837 -19.402 0.327 1.00 0.00 C ATOM 999 NZ LYS A 65 17.720 -20.600 0.311 1.00 0.00 N ATOM 0 H LYS A 65 13.853 -17.030 3.775 1.00 0.00 H new ATOM 0 HA LYS A 65 14.844 -15.507 1.539 1.00 0.00 H new ATOM 0 HB2 LYS A 65 13.255 -18.096 1.513 1.00 0.00 H new ATOM 0 HB3 LYS A 65 14.354 -17.506 0.282 1.00 0.00 H new ATOM 0 HG2 LYS A 65 16.211 -17.676 2.050 1.00 0.00 H new ATOM 0 HG3 LYS A 65 15.060 -18.551 3.040 1.00 0.00 H new ATOM 0 HD2 LYS A 65 15.857 -20.389 1.963 1.00 0.00 H new ATOM 0 HD3 LYS A 65 14.776 -19.897 0.674 1.00 0.00 H new ATOM 0 HE2 LYS A 65 16.482 -19.199 -0.683 1.00 0.00 H new ATOM 0 HE3 LYS A 65 17.412 -18.532 0.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 18.520 -20.433 -0.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 18.079 -20.779 1.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 17.179 -21.426 -0.016 1.00 0.00 H new ATOM 1013 N LYS A 66 11.622 -15.782 2.078 1.00 0.00 N ATOM 1014 CA LYS A 66 10.315 -15.266 1.682 1.00 0.00 C ATOM 1015 C LYS A 66 10.109 -13.845 2.196 1.00 0.00 C ATOM 1016 O LYS A 66 9.432 -13.036 1.562 1.00 0.00 O ATOM 1017 CB LYS A 66 9.203 -16.176 2.207 1.00 0.00 C ATOM 1018 CG LYS A 66 9.398 -17.642 1.851 1.00 0.00 C ATOM 1019 CD LYS A 66 8.125 -18.443 2.078 1.00 0.00 C ATOM 1020 CE LYS A 66 8.303 -19.896 1.672 1.00 0.00 C ATOM 1021 NZ LYS A 66 9.038 -20.676 2.706 1.00 0.00 N ATOM 0 H LYS A 66 11.613 -16.347 2.927 1.00 0.00 H new ATOM 0 HA LYS A 66 10.277 -15.247 0.593 1.00 0.00 H new ATOM 0 HB2 LYS A 66 9.146 -16.078 3.291 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.248 -15.837 1.806 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.702 -17.727 0.808 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.205 -18.060 2.453 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.843 -18.390 3.129 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.309 -18.001 1.506 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.326 -20.348 1.503 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.844 -19.945 0.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.139 -21.662 2.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.981 -20.261 2.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.509 -20.651 3.601 1.00 0.00 H new ATOM 1035 N LYS A 67 10.697 -13.547 3.350 1.00 0.00 N ATOM 1036 CA LYS A 67 10.577 -12.223 3.950 1.00 0.00 C ATOM 1037 C LYS A 67 11.389 -11.194 3.169 1.00 0.00 C ATOM 1038 O LYS A 67 11.050 -10.011 3.142 1.00 0.00 O ATOM 1039 CB LYS A 67 11.041 -12.256 5.408 1.00 0.00 C ATOM 1040 CG LYS A 67 9.917 -12.516 6.398 1.00 0.00 C ATOM 1041 CD LYS A 67 10.366 -13.437 7.521 1.00 0.00 C ATOM 1042 CE LYS A 67 9.489 -13.281 8.755 1.00 0.00 C ATOM 1043 NZ LYS A 67 10.179 -12.520 9.834 1.00 0.00 N ATOM 0 H LYS A 67 11.261 -14.204 3.888 1.00 0.00 H new ATOM 0 HA LYS A 67 9.527 -11.931 3.916 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.800 -13.030 5.522 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.516 -11.305 5.651 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.574 -11.570 6.817 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.069 -12.961 5.878 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.334 -14.472 7.179 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.402 -13.219 7.780 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.566 -12.769 8.482 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.208 -14.266 9.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.549 -12.436 10.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.046 -13.022 10.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.424 -11.571 9.487 1.00 0.00 H new ATOM 1057 N ALA A 68 12.464 -11.653 2.534 1.00 0.00 N ATOM 1058 CA ALA A 68 13.326 -10.773 1.752 1.00 0.00 C ATOM 1059 C ALA A 68 12.537 -10.046 0.668 1.00 0.00 C ATOM 1060 O ALA A 68 12.882 -8.932 0.275 1.00 0.00 O ATOM 1061 CB ALA A 68 14.466 -11.566 1.135 1.00 0.00 C ATOM 0 H ALA A 68 12.759 -12.629 2.546 1.00 0.00 H new ATOM 0 HA ALA A 68 13.741 -10.022 2.425 1.00 0.00 H new ATOM 0 HB1 ALA A 68 15.102 -10.898 0.554 1.00 0.00 H new ATOM 0 HB2 ALA A 68 15.055 -12.031 1.925 1.00 0.00 H new ATOM 0 HB3 ALA A 68 14.060 -12.339 0.482 1.00 0.00 H new ATOM 1067 N LYS A 69 11.475 -10.685 0.185 1.00 0.00 N ATOM 1068 CA LYS A 69 10.638 -10.098 -0.856 1.00 0.00 C ATOM 1069 C LYS A 69 9.954 -8.830 -0.355 1.00 0.00 C ATOM 1070 O LYS A 69 9.816 -7.855 -1.094 1.00 0.00 O ATOM 1071 CB LYS A 69 9.589 -11.107 -1.325 1.00 0.00 C ATOM 1072 CG LYS A 69 10.171 -12.459 -1.703 1.00 0.00 C ATOM 1073 CD LYS A 69 9.091 -13.415 -2.186 1.00 0.00 C ATOM 1074 CE LYS A 69 9.334 -14.829 -1.684 1.00 0.00 C ATOM 1075 NZ LYS A 69 8.826 -15.853 -2.639 1.00 0.00 N ATOM 0 H LYS A 69 11.174 -11.608 0.498 1.00 0.00 H new ATOM 0 HA LYS A 69 11.279 -9.834 -1.697 1.00 0.00 H new ATOM 0 HB2 LYS A 69 8.852 -11.246 -0.534 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.060 -10.695 -2.185 1.00 0.00 H new ATOM 0 HG2 LYS A 69 10.919 -12.329 -2.485 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.682 -12.890 -0.842 1.00 0.00 H new ATOM 0 HD2 LYS A 69 8.116 -13.068 -1.842 1.00 0.00 H new ATOM 0 HD3 LYS A 69 9.064 -13.414 -3.276 1.00 0.00 H new ATOM 0 HE2 LYS A 69 10.402 -14.979 -1.525 1.00 0.00 H new ATOM 0 HE3 LYS A 69 8.846 -14.960 -0.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 9.011 -16.804 -2.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 7.802 -15.726 -2.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 9.309 -15.745 -3.553 1.00 0.00 H new ATOM 1089 N TYR A 70 9.528 -8.849 0.904 1.00 0.00 N ATOM 1090 CA TYR A 70 8.857 -7.699 1.501 1.00 0.00 C ATOM 1091 C TYR A 70 9.856 -6.796 2.218 1.00 0.00 C ATOM 1092 O TYR A 70 9.656 -5.583 2.309 1.00 0.00 O ATOM 1093 CB TYR A 70 7.779 -8.163 2.483 1.00 0.00 C ATOM 1094 CG TYR A 70 6.942 -9.311 1.968 1.00 0.00 C ATOM 1095 CD1 TYR A 70 5.812 -9.079 1.193 1.00 0.00 C ATOM 1096 CD2 TYR A 70 7.281 -10.627 2.256 1.00 0.00 C ATOM 1097 CE1 TYR A 70 5.044 -10.126 0.720 1.00 0.00 C ATOM 1098 CE2 TYR A 70 6.518 -11.680 1.787 1.00 0.00 C ATOM 1099 CZ TYR A 70 5.401 -11.424 1.020 1.00 0.00 C ATOM 1100 OH TYR A 70 4.638 -12.468 0.551 1.00 0.00 O ATOM 0 H TYR A 70 9.635 -9.647 1.530 1.00 0.00 H new ATOM 0 HA TYR A 70 8.389 -7.129 0.699 1.00 0.00 H new ATOM 0 HB2 TYR A 70 8.255 -8.462 3.417 1.00 0.00 H new ATOM 0 HB3 TYR A 70 7.124 -7.323 2.714 1.00 0.00 H new ATOM 0 HD1 TYR A 70 5.529 -8.064 0.956 1.00 0.00 H new ATOM 0 HD2 TYR A 70 8.155 -10.831 2.856 1.00 0.00 H new ATOM 0 HE1 TYR A 70 4.169 -9.929 0.119 1.00 0.00 H new ATOM 0 HE2 TYR A 70 6.795 -12.697 2.020 1.00 0.00 H new ATOM 0 HH TYR A 70 5.026 -13.317 0.850 1.00 0.00 H new ATOM 1110 N LYS A 71 10.929 -7.391 2.727 1.00 0.00 N ATOM 1111 CA LYS A 71 11.957 -6.640 3.438 1.00 0.00 C ATOM 1112 C LYS A 71 12.567 -5.565 2.543 1.00 0.00 C ATOM 1113 O LYS A 71 12.998 -4.516 3.022 1.00 0.00 O ATOM 1114 CB LYS A 71 13.049 -7.586 3.944 1.00 0.00 C ATOM 1115 CG LYS A 71 13.038 -7.773 5.453 1.00 0.00 C ATOM 1116 CD LYS A 71 12.968 -9.243 5.839 1.00 0.00 C ATOM 1117 CE LYS A 71 13.998 -9.592 6.902 1.00 0.00 C ATOM 1118 NZ LYS A 71 13.865 -11.001 7.364 1.00 0.00 N ATOM 0 H LYS A 71 11.110 -8.393 2.660 1.00 0.00 H new ATOM 0 HA LYS A 71 11.489 -6.148 4.291 1.00 0.00 H new ATOM 0 HB2 LYS A 71 12.928 -8.557 3.465 1.00 0.00 H new ATOM 0 HB3 LYS A 71 14.022 -7.200 3.641 1.00 0.00 H new ATOM 0 HG2 LYS A 71 13.936 -7.327 5.881 1.00 0.00 H new ATOM 0 HG3 LYS A 71 12.185 -7.244 5.879 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.969 -9.476 6.209 1.00 0.00 H new ATOM 0 HD3 LYS A 71 13.132 -9.860 4.956 1.00 0.00 H new ATOM 0 HE2 LYS A 71 15.000 -9.434 6.502 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.884 -8.919 7.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.585 -11.198 8.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 12.918 -11.146 7.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.999 -11.645 6.558 1.00 0.00 H new ATOM 1132 N ALA A 72 12.600 -5.832 1.241 1.00 0.00 N ATOM 1133 CA ALA A 72 13.158 -4.885 0.282 1.00 0.00 C ATOM 1134 C ALA A 72 12.241 -3.679 0.106 1.00 0.00 C ATOM 1135 O ALA A 72 12.706 -2.546 -0.026 1.00 0.00 O ATOM 1136 CB ALA A 72 13.399 -5.567 -1.055 1.00 0.00 C ATOM 0 H ALA A 72 12.248 -6.695 0.826 1.00 0.00 H new ATOM 0 HA ALA A 72 14.112 -4.530 0.672 1.00 0.00 H new ATOM 0 HB1 ALA A 72 13.815 -4.848 -1.760 1.00 0.00 H new ATOM 0 HB2 ALA A 72 14.099 -6.392 -0.922 1.00 0.00 H new ATOM 0 HB3 ALA A 72 12.455 -5.951 -1.443 1.00 0.00 H new ATOM 1142 N ARG A 73 10.936 -3.929 0.102 1.00 0.00 N ATOM 1143 CA ARG A 73 9.953 -2.864 -0.058 1.00 0.00 C ATOM 1144 C ARG A 73 9.915 -1.967 1.176 1.00 0.00 C ATOM 1145 O ARG A 73 9.582 -0.785 1.084 1.00 0.00 O ATOM 1146 CB ARG A 73 8.566 -3.457 -0.314 1.00 0.00 C ATOM 1147 CG ARG A 73 8.511 -4.378 -1.522 1.00 0.00 C ATOM 1148 CD ARG A 73 7.300 -5.296 -1.468 1.00 0.00 C ATOM 1149 NE ARG A 73 7.245 -6.198 -2.615 1.00 0.00 N ATOM 1150 CZ ARG A 73 6.511 -7.308 -2.651 1.00 0.00 C ATOM 1151 NH1 ARG A 73 5.769 -7.656 -1.606 1.00 0.00 N ATOM 1152 NH2 ARG A 73 6.516 -8.073 -3.735 1.00 0.00 N ATOM 0 H ARG A 73 10.534 -4.861 0.208 1.00 0.00 H new ATOM 0 HA ARG A 73 10.247 -2.259 -0.916 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.248 -4.011 0.569 1.00 0.00 H new ATOM 0 HB3 ARG A 73 7.853 -2.645 -0.454 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.477 -3.782 -2.434 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.421 -4.976 -1.566 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.329 -5.880 -0.548 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.391 -4.695 -1.435 1.00 0.00 H new ATOM 0 HE ARG A 73 7.802 -5.964 -3.437 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.759 -7.072 -0.770 1.00 0.00 H new ATOM 0 HH12 ARG A 73 5.209 -8.508 -1.639 1.00 0.00 H new ATOM 0 HH21 ARG A 73 7.083 -7.811 -4.542 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.953 -8.923 -3.762 1.00 0.00 H new ATOM 1166 N GLU A 74 10.256 -2.536 2.328 1.00 0.00 N ATOM 1167 CA GLU A 74 10.259 -1.787 3.580 1.00 0.00 C ATOM 1168 C GLU A 74 11.168 -0.565 3.485 1.00 0.00 C ATOM 1169 O GLU A 74 10.800 0.529 3.908 1.00 0.00 O ATOM 1170 CB GLU A 74 10.713 -2.685 4.732 1.00 0.00 C ATOM 1171 CG GLU A 74 10.715 -1.988 6.083 1.00 0.00 C ATOM 1172 CD GLU A 74 12.115 -1.729 6.605 1.00 0.00 C ATOM 1173 OE1 GLU A 74 12.953 -2.654 6.543 1.00 0.00 O ATOM 1174 OE2 GLU A 74 12.374 -0.601 7.075 1.00 0.00 O ATOM 0 H GLU A 74 10.534 -3.513 2.421 1.00 0.00 H new ATOM 0 HA GLU A 74 9.242 -1.445 3.771 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.059 -3.555 4.783 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.717 -3.053 4.521 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.182 -1.041 6.000 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.170 -2.598 6.803 1.00 0.00 H new ATOM 1181 N ALA A 75 12.357 -0.761 2.925 1.00 0.00 N ATOM 1182 CA ALA A 75 13.319 0.323 2.774 1.00 0.00 C ATOM 1183 C ALA A 75 12.772 1.420 1.866 1.00 0.00 C ATOM 1184 O ALA A 75 13.108 2.594 2.023 1.00 0.00 O ATOM 1185 CB ALA A 75 14.634 -0.210 2.226 1.00 0.00 C ATOM 0 H ALA A 75 12.677 -1.661 2.568 1.00 0.00 H new ATOM 0 HA ALA A 75 13.497 0.756 3.758 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.343 0.611 2.118 1.00 0.00 H new ATOM 0 HB2 ALA A 75 15.040 -0.952 2.913 1.00 0.00 H new ATOM 0 HB3 ALA A 75 14.463 -0.671 1.253 1.00 0.00 H new ATOM 1191 N ALA A 76 11.929 1.030 0.915 1.00 0.00 N ATOM 1192 CA ALA A 76 11.338 1.980 -0.019 1.00 0.00 C ATOM 1193 C ALA A 76 10.143 2.693 0.605 1.00 0.00 C ATOM 1194 O ALA A 76 9.854 3.844 0.274 1.00 0.00 O ATOM 1195 CB ALA A 76 10.922 1.271 -1.298 1.00 0.00 C ATOM 0 H ALA A 76 11.640 0.062 0.771 1.00 0.00 H new ATOM 0 HA ALA A 76 12.090 2.731 -0.260 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.482 1.992 -1.987 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.796 0.813 -1.761 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.189 0.499 -1.064 1.00 0.00 H new ATOM 1201 N LEU A 77 9.451 2.005 1.506 1.00 0.00 N ATOM 1202 CA LEU A 77 8.286 2.573 2.173 1.00 0.00 C ATOM 1203 C LEU A 77 8.701 3.416 3.376 1.00 0.00 C ATOM 1204 O LEU A 77 8.040 4.396 3.716 1.00 0.00 O ATOM 1205 CB LEU A 77 7.335 1.461 2.619 1.00 0.00 C ATOM 1206 CG LEU A 77 6.706 0.653 1.482 1.00 0.00 C ATOM 1207 CD1 LEU A 77 6.225 -0.698 1.991 1.00 0.00 C ATOM 1208 CD2 LEU A 77 5.558 1.427 0.851 1.00 0.00 C ATOM 0 H LEU A 77 9.677 1.052 1.791 1.00 0.00 H new ATOM 0 HA LEU A 77 7.772 3.219 1.461 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.879 0.778 3.272 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.537 1.904 3.215 1.00 0.00 H new ATOM 0 HG LEU A 77 7.465 0.482 0.719 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.780 -1.259 1.169 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.069 -1.256 2.396 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.480 -0.548 2.773 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.122 0.838 0.044 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.797 1.629 1.605 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.931 2.370 0.451 1.00 0.00 H new ATOM 1220 N LYS A 78 9.797 3.025 4.017 1.00 0.00 N ATOM 1221 CA LYS A 78 10.298 3.745 5.182 1.00 0.00 C ATOM 1222 C LYS A 78 10.630 5.192 4.830 1.00 0.00 C ATOM 1223 O LYS A 78 10.476 6.092 5.656 1.00 0.00 O ATOM 1224 CB LYS A 78 11.537 3.048 5.747 1.00 0.00 C ATOM 1225 CG LYS A 78 11.599 3.054 7.266 1.00 0.00 C ATOM 1226 CD LYS A 78 12.900 2.455 7.774 1.00 0.00 C ATOM 1227 CE LYS A 78 12.671 1.588 9.001 1.00 0.00 C ATOM 1228 NZ LYS A 78 12.581 2.400 10.246 1.00 0.00 N ATOM 0 H LYS A 78 10.355 2.214 3.750 1.00 0.00 H new ATOM 0 HA LYS A 78 9.514 3.746 5.939 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.556 2.017 5.395 1.00 0.00 H new ATOM 0 HB3 LYS A 78 12.429 3.535 5.353 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.501 4.076 7.631 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.757 2.490 7.668 1.00 0.00 H new ATOM 0 HD2 LYS A 78 13.359 1.858 6.986 1.00 0.00 H new ATOM 0 HD3 LYS A 78 13.600 3.255 8.017 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.753 1.015 8.874 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.485 0.869 9.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.425 1.772 11.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.467 2.928 10.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.788 3.069 10.168 1.00 0.00 H new