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+ -138:sc= 1.28 (180deg=0) USER MOD Set 1.2: A 38 GLN : amide:sc= 0.885 K(o=2.2,f=-8.1!) USER MOD Single : A 26 SER OG : rot 180:sc=-0.00291 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= -0.227 USER MOD Single : A 40 GLN :FLIP amide:sc= -0.491 F(o=-1.3,f=-0.49) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl -140:sc= -1.52 (180deg=-5.71!) USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.79) 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 70 TYR OH : rot 180:sc= 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 5.583 1.814 6.942 1.00 0.00 N ATOM 320 CA VAL A 25 5.189 0.590 6.255 1.00 0.00 C ATOM 321 C VAL A 25 6.309 -0.443 6.289 1.00 0.00 C ATOM 322 O VAL A 25 7.070 -0.582 5.331 1.00 0.00 O ATOM 323 CB VAL A 25 4.805 0.868 4.789 1.00 0.00 C ATOM 324 CG1 VAL A 25 4.209 -0.376 4.149 1.00 0.00 C ATOM 325 CG2 VAL A 25 3.836 2.037 4.703 1.00 0.00 C ATOM 0 HA VAL A 25 4.320 0.196 6.782 1.00 0.00 H new ATOM 0 HB VAL A 25 5.708 1.134 4.240 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.944 -0.161 3.114 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.939 -1.185 4.176 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.316 -0.675 4.698 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.576 2.218 3.660 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.933 1.803 5.266 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.304 2.929 5.121 1.00 0.00 H new ATOM 335 N SER A 26 6.405 -1.167 7.399 1.00 0.00 N ATOM 336 CA SER A 26 7.433 -2.189 7.560 1.00 0.00 C ATOM 337 C SER A 26 7.100 -3.431 6.738 1.00 0.00 C ATOM 338 O SER A 26 6.062 -3.491 6.079 1.00 0.00 O ATOM 339 CB SER A 26 7.582 -2.565 9.035 1.00 0.00 C ATOM 340 OG SER A 26 8.757 -3.326 9.251 1.00 0.00 O ATOM 0 H SER A 26 5.783 -1.065 8.201 1.00 0.00 H new ATOM 0 HA SER A 26 8.376 -1.779 7.200 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.614 -1.661 9.643 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.711 -3.135 9.358 1.00 0.00 H new ATOM 0 HG SER A 26 8.830 -3.552 10.202 1.00 0.00 H new ATOM 346 N ALA A 27 7.987 -4.418 6.783 1.00 0.00 N ATOM 347 CA ALA A 27 7.787 -5.659 6.042 1.00 0.00 C ATOM 348 C ALA A 27 6.502 -6.356 6.476 1.00 0.00 C ATOM 349 O ALA A 27 5.857 -7.041 5.682 1.00 0.00 O ATOM 350 CB ALA A 27 8.980 -6.584 6.231 1.00 0.00 C ATOM 0 H ALA A 27 8.851 -4.384 7.324 1.00 0.00 H new ATOM 0 HA ALA A 27 7.696 -5.411 4.984 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.818 -7.506 5.673 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.882 -6.093 5.866 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.096 -6.816 7.290 1.00 0.00 H new ATOM 356 N MET A 28 6.135 -6.177 7.741 1.00 0.00 N ATOM 357 CA MET A 28 4.925 -6.788 8.280 1.00 0.00 C ATOM 358 C MET A 28 3.679 -6.088 7.749 1.00 0.00 C ATOM 359 O MET A 28 2.628 -6.710 7.584 1.00 0.00 O ATOM 360 CB MET A 28 4.942 -6.737 9.809 1.00 0.00 C ATOM 361 CG MET A 28 3.842 -7.563 10.457 1.00 0.00 C ATOM 362 SD MET A 28 4.478 -8.764 11.644 1.00 0.00 S ATOM 363 CE MET A 28 2.988 -9.163 12.554 1.00 0.00 C ATOM 0 H MET A 28 6.658 -5.614 8.412 1.00 0.00 H new ATOM 0 HA MET A 28 4.898 -7.829 7.958 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.909 -7.091 10.165 1.00 0.00 H new ATOM 0 HB3 MET A 28 4.844 -5.700 10.131 1.00 0.00 H new ATOM 0 HG2 MET A 28 3.142 -6.896 10.961 1.00 0.00 H new ATOM 0 HG3 MET A 28 3.282 -8.086 9.682 1.00 0.00 H new ATOM 0 HE1 MET A 28 3.219 -9.896 13.327 1.00 0.00 H new ATOM 0 HE2 MET A 28 2.592 -8.260 13.018 1.00 0.00 H new ATOM 0 HE3 MET A 28 2.245 -9.576 11.872 1.00 0.00 H new ATOM 373 N PHE A 29 3.800 -4.792 7.484 1.00 0.00 N ATOM 374 CA PHE A 29 2.683 -4.007 6.972 1.00 0.00 C ATOM 375 C PHE A 29 2.393 -4.357 5.517 1.00 0.00 C ATOM 376 O PHE A 29 1.238 -4.380 5.091 1.00 0.00 O ATOM 377 CB PHE A 29 2.983 -2.513 7.099 1.00 0.00 C ATOM 378 CG PHE A 29 1.798 -1.636 6.809 1.00 0.00 C ATOM 379 CD1 PHE A 29 1.307 -1.518 5.519 1.00 0.00 C ATOM 380 CD2 PHE A 29 1.177 -0.930 7.826 1.00 0.00 C ATOM 381 CE1 PHE A 29 0.217 -0.712 5.248 1.00 0.00 C ATOM 382 CE2 PHE A 29 0.087 -0.121 7.563 1.00 0.00 C ATOM 383 CZ PHE A 29 -0.393 -0.013 6.272 1.00 0.00 C ATOM 0 H PHE A 29 4.662 -4.262 7.616 1.00 0.00 H new ATOM 0 HA PHE A 29 1.801 -4.246 7.566 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.339 -2.307 8.108 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.792 -2.254 6.416 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.781 -2.062 4.716 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.549 -1.012 8.837 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.157 -0.629 4.238 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.388 0.425 8.365 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.245 0.618 6.063 1.00 0.00 H new ATOM 393 N ILE A 30 3.449 -4.629 4.757 1.00 0.00 N ATOM 394 CA ILE A 30 3.308 -4.978 3.349 1.00 0.00 C ATOM 395 C ILE A 30 2.699 -6.368 3.185 1.00 0.00 C ATOM 396 O ILE A 30 1.904 -6.605 2.277 1.00 0.00 O ATOM 397 CB ILE A 30 4.665 -4.937 2.618 1.00 0.00 C ATOM 398 CG1 ILE A 30 5.381 -3.613 2.897 1.00 0.00 C ATOM 399 CG2 ILE A 30 4.469 -5.134 1.122 1.00 0.00 C ATOM 400 CD1 ILE A 30 6.868 -3.768 3.131 1.00 0.00 C ATOM 0 H ILE A 30 4.412 -4.614 5.093 1.00 0.00 H new ATOM 0 HA ILE A 30 2.643 -4.236 2.907 1.00 0.00 H new ATOM 0 HB ILE A 30 5.286 -5.750 2.993 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.222 -2.939 2.055 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.931 -3.143 3.771 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.437 -5.102 0.621 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.998 -6.100 0.941 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.832 -4.341 0.731 1.00 0.00 H new ATOM 0 HD11 ILE A 30 7.310 -2.790 3.322 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.035 -4.416 3.991 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.331 -4.209 2.248 1.00 0.00 H new ATOM 412 N PHE A 31 3.079 -7.283 4.072 1.00 0.00 N ATOM 413 CA PHE A 31 2.570 -8.649 4.026 1.00 0.00 C ATOM 414 C PHE A 31 1.153 -8.722 4.585 1.00 0.00 C ATOM 415 O PHE A 31 0.339 -9.527 4.133 1.00 0.00 O ATOM 416 CB PHE A 31 3.492 -9.584 4.812 1.00 0.00 C ATOM 417 CG PHE A 31 3.035 -11.014 4.817 1.00 0.00 C ATOM 418 CD1 PHE A 31 2.148 -11.469 5.780 1.00 0.00 C ATOM 419 CD2 PHE A 31 3.491 -11.905 3.858 1.00 0.00 C ATOM 420 CE1 PHE A 31 1.725 -12.785 5.787 1.00 0.00 C ATOM 421 CE2 PHE A 31 3.072 -13.222 3.860 1.00 0.00 C ATOM 422 CZ PHE A 31 2.189 -13.662 4.826 1.00 0.00 C ATOM 0 H PHE A 31 3.737 -7.103 4.830 1.00 0.00 H new ATOM 0 HA PHE A 31 2.545 -8.967 2.984 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.495 -9.533 4.387 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.563 -9.230 5.841 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.783 -10.787 6.534 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.182 -11.566 3.100 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.033 -13.127 6.542 1.00 0.00 H new ATOM 0 HE2 PHE A 31 3.435 -13.906 3.107 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.861 -14.691 4.830 1.00 0.00 H new ATOM 432 N SER A 32 0.866 -7.879 5.571 1.00 0.00 N ATOM 433 CA SER A 32 -0.453 -7.851 6.194 1.00 0.00 C ATOM 434 C SER A 32 -1.471 -7.147 5.301 1.00 0.00 C ATOM 435 O SER A 32 -2.676 -7.361 5.432 1.00 0.00 O ATOM 436 CB SER A 32 -0.381 -7.152 7.552 1.00 0.00 C ATOM 437 OG SER A 32 -1.674 -6.996 8.114 1.00 0.00 O ATOM 0 H SER A 32 1.529 -7.206 5.956 1.00 0.00 H new ATOM 0 HA SER A 32 -0.779 -8.881 6.336 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.246 -7.731 8.230 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.090 -6.176 7.438 1.00 0.00 H new ATOM 0 HG SER A 32 -1.601 -6.548 8.983 1.00 0.00 H new ATOM 443 N GLU A 33 -0.983 -6.305 4.394 1.00 0.00 N ATOM 444 CA GLU A 33 -1.857 -5.572 3.486 1.00 0.00 C ATOM 445 C GLU A 33 -1.971 -6.282 2.140 1.00 0.00 C ATOM 446 O GLU A 33 -3.004 -6.207 1.473 1.00 0.00 O ATOM 447 CB GLU A 33 -1.335 -4.148 3.281 1.00 0.00 C ATOM 448 CG GLU A 33 -2.374 -3.194 2.715 1.00 0.00 C ATOM 449 CD GLU A 33 -1.991 -2.655 1.349 1.00 0.00 C ATOM 450 OE1 GLU A 33 -0.795 -2.362 1.140 1.00 0.00 O ATOM 451 OE2 GLU A 33 -2.888 -2.525 0.490 1.00 0.00 O ATOM 0 H GLU A 33 0.011 -6.114 4.269 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.849 -5.529 3.936 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.979 -3.760 4.235 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.477 -4.178 2.609 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.332 -3.708 2.643 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.511 -2.361 3.405 1.00 0.00 H new ATOM 458 N GLU A 34 -0.905 -6.967 1.744 1.00 0.00 N ATOM 459 CA GLU A 34 -0.885 -7.687 0.475 1.00 0.00 C ATOM 460 C GLU A 34 -1.559 -9.049 0.607 1.00 0.00 C ATOM 461 O GLU A 34 -2.145 -9.557 -0.349 1.00 0.00 O ATOM 462 CB GLU A 34 0.554 -7.862 -0.012 1.00 0.00 C ATOM 463 CG GLU A 34 0.664 -8.115 -1.508 1.00 0.00 C ATOM 464 CD GLU A 34 2.095 -8.063 -2.003 1.00 0.00 C ATOM 465 OE1 GLU A 34 2.557 -6.962 -2.370 1.00 0.00 O ATOM 466 OE2 GLU A 34 2.755 -9.124 -2.027 1.00 0.00 O ATOM 0 H GLU A 34 -0.042 -7.040 2.283 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.441 -7.099 -0.255 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.125 -6.968 0.240 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.011 -8.694 0.523 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.238 -9.091 -1.740 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.071 -7.373 -2.043 1.00 0.00 H new ATOM 473 N LYS A 35 -1.470 -9.637 1.795 1.00 0.00 N ATOM 474 CA LYS A 35 -2.070 -10.943 2.048 1.00 0.00 C ATOM 475 C LYS A 35 -3.534 -10.809 2.462 1.00 0.00 C ATOM 476 O LYS A 35 -4.305 -11.764 2.360 1.00 0.00 O ATOM 477 CB LYS A 35 -1.288 -11.684 3.134 1.00 0.00 C ATOM 478 CG LYS A 35 0.145 -12.006 2.740 1.00 0.00 C ATOM 479 CD LYS A 35 0.254 -13.380 2.096 1.00 0.00 C ATOM 480 CE LYS A 35 0.540 -13.278 0.606 1.00 0.00 C ATOM 481 NZ LYS A 35 0.442 -14.601 -0.070 1.00 0.00 N ATOM 0 H LYS A 35 -0.989 -9.231 2.598 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.028 -11.515 1.121 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.279 -11.079 4.041 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.807 -12.612 3.375 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.511 -11.249 2.047 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.783 -11.966 3.623 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.047 -13.948 2.581 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.674 -13.930 2.252 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.164 -12.583 0.148 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.538 -12.866 0.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.223 -14.703 -0.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.500 -15.359 0.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.465 -14.667 -0.574 1.00 0.00 H new ATOM 495 N ARG A 36 -3.914 -9.623 2.932 1.00 0.00 N ATOM 496 CA ARG A 36 -5.287 -9.374 3.361 1.00 0.00 C ATOM 497 C ARG A 36 -6.281 -9.725 2.257 1.00 0.00 C ATOM 498 O ARG A 36 -7.187 -10.534 2.459 1.00 0.00 O ATOM 499 CB ARG A 36 -5.459 -7.909 3.767 1.00 0.00 C ATOM 500 CG ARG A 36 -6.709 -7.650 4.590 1.00 0.00 C ATOM 501 CD ARG A 36 -6.731 -6.232 5.140 1.00 0.00 C ATOM 502 NE ARG A 36 -6.721 -5.231 4.077 1.00 0.00 N ATOM 503 CZ ARG A 36 -7.066 -3.958 4.254 1.00 0.00 C ATOM 504 NH1 ARG A 36 -7.448 -3.526 5.450 1.00 0.00 N ATOM 505 NH2 ARG A 36 -7.029 -3.113 3.232 1.00 0.00 N ATOM 0 H ARG A 36 -3.291 -8.821 3.025 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.489 -10.012 4.222 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.586 -7.594 4.338 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.491 -7.293 2.868 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.592 -7.816 3.974 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.757 -8.362 5.414 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.619 -6.096 5.757 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.867 -6.081 5.788 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.433 -5.525 3.144 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.478 -4.171 6.240 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.711 -2.549 5.579 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.736 -3.439 2.311 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.293 -2.137 3.367 1.00 0.00 H new ATOM 519 N ARG A 37 -6.107 -9.111 1.093 1.00 0.00 N ATOM 520 CA ARG A 37 -6.989 -9.359 -0.041 1.00 0.00 C ATOM 521 C ARG A 37 -6.966 -10.831 -0.441 1.00 0.00 C ATOM 522 O ARG A 37 -7.955 -11.362 -0.949 1.00 0.00 O ATOM 523 CB ARG A 37 -6.582 -8.490 -1.232 1.00 0.00 C ATOM 524 CG ARG A 37 -7.626 -8.440 -2.334 1.00 0.00 C ATOM 525 CD ARG A 37 -7.008 -8.063 -3.672 1.00 0.00 C ATOM 526 NE ARG A 37 -7.996 -8.052 -4.748 1.00 0.00 N ATOM 527 CZ ARG A 37 -7.780 -7.520 -5.948 1.00 0.00 C ATOM 528 NH1 ARG A 37 -6.613 -6.953 -6.230 1.00 0.00 N ATOM 529 NH2 ARG A 37 -8.734 -7.554 -6.869 1.00 0.00 N ATOM 0 H ARG A 37 -5.363 -8.438 0.909 1.00 0.00 H new ATOM 0 HA ARG A 37 -8.004 -9.099 0.260 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -6.387 -7.476 -0.882 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.648 -8.870 -1.645 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.114 -9.411 -2.418 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -8.398 -7.717 -2.072 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.547 -7.079 -3.594 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -6.214 -8.769 -3.916 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.905 -8.477 -4.569 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -5.877 -6.924 -5.525 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -6.453 -6.547 -7.152 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.632 -7.988 -6.657 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -8.569 -7.146 -7.789 1.00 0.00 H new ATOM 543 N GLN A 38 -5.833 -11.486 -0.210 1.00 0.00 N ATOM 544 CA GLN A 38 -5.683 -12.896 -0.548 1.00 0.00 C ATOM 545 C GLN A 38 -6.466 -13.775 0.422 1.00 0.00 C ATOM 546 O GLN A 38 -7.074 -14.768 0.024 1.00 0.00 O ATOM 547 CB GLN A 38 -4.206 -13.292 -0.531 1.00 0.00 C ATOM 548 CG GLN A 38 -3.490 -13.024 -1.846 1.00 0.00 C ATOM 549 CD GLN A 38 -2.577 -14.163 -2.256 1.00 0.00 C ATOM 550 OE1 GLN A 38 -1.422 -14.230 -1.838 1.00 0.00 O ATOM 551 NE2 GLN A 38 -3.094 -15.067 -3.080 1.00 0.00 N ATOM 0 H GLN A 38 -5.005 -11.063 0.210 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.082 -13.047 -1.551 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.701 -12.746 0.266 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.125 -14.352 -0.292 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.229 -12.855 -2.630 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.905 -12.109 -1.757 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.057 -14.972 -3.402 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.528 -15.856 -3.391 1.00 0.00 H new ATOM 560 N LEU A 39 -6.448 -13.402 1.698 1.00 0.00 N ATOM 561 CA LEU A 39 -7.157 -14.155 2.726 1.00 0.00 C ATOM 562 C LEU A 39 -8.645 -13.824 2.717 1.00 0.00 C ATOM 563 O LEU A 39 -9.480 -14.662 3.058 1.00 0.00 O ATOM 564 CB LEU A 39 -6.564 -13.857 4.104 1.00 0.00 C ATOM 565 CG LEU A 39 -5.312 -14.660 4.459 1.00 0.00 C ATOM 566 CD1 LEU A 39 -4.601 -14.041 5.653 1.00 0.00 C ATOM 567 CD2 LEU A 39 -5.670 -16.110 4.743 1.00 0.00 C ATOM 0 H LEU A 39 -5.950 -12.582 2.045 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.040 -15.217 2.509 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.323 -12.795 4.157 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.326 -14.049 4.859 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.635 -14.635 3.605 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.713 -14.626 5.891 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.309 -13.019 5.413 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.272 -14.034 6.512 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.766 -16.666 4.994 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.368 -16.155 5.579 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.133 -16.550 3.860 1.00 0.00 H new ATOM 579 N GLN A 40 -8.971 -12.596 2.327 1.00 0.00 N ATOM 580 CA GLN A 40 -10.360 -12.153 2.275 1.00 0.00 C ATOM 581 C GLN A 40 -11.179 -13.031 1.333 1.00 0.00 C ATOM 582 O GLN A 40 -12.300 -13.428 1.654 1.00 0.00 O ATOM 583 CB GLN A 40 -10.434 -10.692 1.827 1.00 0.00 C ATOM 584 CG GLN A 40 -11.261 -9.814 2.752 1.00 0.00 C ATOM 585 CD GLN A 40 -10.882 -8.349 2.658 1.00 0.00 C ATOM 586 OE1 GLN A 40 -10.725 -7.703 3.809 1.00 0.00 O flip ATOM 587 NE2 GLN A 40 -10.732 -7.803 1.566 1.00 0.00 N flip ATOM 0 H GLN A 40 -8.292 -11.890 2.042 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.781 -12.240 3.277 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -9.423 -10.288 1.764 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -10.858 -10.649 0.824 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.317 -9.929 2.508 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.133 -10.153 3.780 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -10.862 -8.337 0.707 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -10.477 -6.816 1.520 1.00 0.00 H new ATOM 596 N GLU A 41 -10.611 -13.333 0.170 1.00 0.00 N ATOM 597 CA GLU A 41 -11.288 -14.164 -0.819 1.00 0.00 C ATOM 598 C GLU A 41 -11.519 -15.573 -0.280 1.00 0.00 C ATOM 599 O GLU A 41 -12.642 -16.076 -0.289 1.00 0.00 O ATOM 600 CB GLU A 41 -10.470 -14.227 -2.110 1.00 0.00 C ATOM 601 CG GLU A 41 -10.176 -12.861 -2.710 1.00 0.00 C ATOM 602 CD GLU A 41 -11.406 -12.212 -3.314 1.00 0.00 C ATOM 603 OE1 GLU A 41 -12.167 -12.916 -4.011 1.00 0.00 O ATOM 604 OE2 GLU A 41 -11.609 -11.000 -3.089 1.00 0.00 O ATOM 0 H GLU A 41 -9.683 -13.015 -0.111 1.00 0.00 H new ATOM 0 HA GLU A 41 -12.257 -13.713 -1.033 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.528 -14.737 -1.909 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.008 -14.828 -2.843 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -9.768 -12.209 -1.937 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.409 -12.963 -3.478 1.00 0.00 H new ATOM 611 N GLU A 42 -10.448 -16.205 0.187 1.00 0.00 N ATOM 612 CA GLU A 42 -10.533 -17.556 0.730 1.00 0.00 C ATOM 613 C GLU A 42 -11.422 -17.589 1.969 1.00 0.00 C ATOM 614 O GLU A 42 -12.102 -18.581 2.231 1.00 0.00 O ATOM 615 CB GLU A 42 -9.139 -18.079 1.076 1.00 0.00 C ATOM 616 CG GLU A 42 -8.166 -18.034 -0.092 1.00 0.00 C ATOM 617 CD GLU A 42 -8.086 -19.353 -0.834 1.00 0.00 C ATOM 618 OE1 GLU A 42 -7.996 -20.406 -0.169 1.00 0.00 O ATOM 619 OE2 GLU A 42 -8.111 -19.334 -2.083 1.00 0.00 O ATOM 0 H GLU A 42 -9.510 -15.803 0.201 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.976 -18.199 -0.031 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.733 -17.491 1.899 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.223 -19.107 1.429 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.471 -17.250 -0.785 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.175 -17.767 0.275 1.00 0.00 H new ATOM 626 N ARG A 43 -11.413 -16.497 2.727 1.00 0.00 N ATOM 627 CA ARG A 43 -12.218 -16.400 3.939 1.00 0.00 C ATOM 628 C ARG A 43 -13.146 -15.189 3.881 1.00 0.00 C ATOM 629 O ARG A 43 -12.880 -14.161 4.504 1.00 0.00 O ATOM 630 CB ARG A 43 -11.315 -16.307 5.171 1.00 0.00 C ATOM 631 CG ARG A 43 -10.267 -17.406 5.242 1.00 0.00 C ATOM 632 CD ARG A 43 -10.823 -18.666 5.883 1.00 0.00 C ATOM 633 NE ARG A 43 -10.251 -19.877 5.298 1.00 0.00 N ATOM 634 CZ ARG A 43 -10.780 -21.090 5.442 1.00 0.00 C ATOM 635 NH1 ARG A 43 -11.889 -21.260 6.150 1.00 0.00 N ATOM 636 NH2 ARG A 43 -10.196 -22.138 4.876 1.00 0.00 N ATOM 0 H ARG A 43 -10.857 -15.667 2.523 1.00 0.00 H new ATOM 0 HA ARG A 43 -12.829 -17.300 4.012 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -10.815 -15.339 5.172 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -11.933 -16.347 6.068 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.910 -17.635 4.238 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -9.408 -17.055 5.814 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -10.618 -18.649 6.953 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.907 -18.684 5.766 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.397 -19.788 4.747 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -12.342 -20.458 6.588 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -12.289 -22.193 6.256 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -9.343 -22.014 4.331 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -10.600 -23.068 4.986 1.00 0.00 H new ATOM 650 N PRO A 44 -14.253 -15.295 3.126 1.00 0.00 N ATOM 651 CA PRO A 44 -15.223 -14.203 2.990 1.00 0.00 C ATOM 652 C PRO A 44 -16.021 -13.968 4.269 1.00 0.00 C ATOM 653 O PRO A 44 -16.595 -12.897 4.464 1.00 0.00 O ATOM 654 CB PRO A 44 -16.145 -14.687 1.868 1.00 0.00 C ATOM 655 CG PRO A 44 -16.053 -16.172 1.916 1.00 0.00 C ATOM 656 CD PRO A 44 -14.647 -16.486 2.350 1.00 0.00 C ATOM 0 HA PRO A 44 -14.735 -13.251 2.782 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -17.169 -14.349 2.024 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -15.826 -14.302 0.900 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -16.779 -16.586 2.616 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -16.267 -16.608 0.940 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.606 -17.391 2.956 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.989 -16.644 1.496 1.00 0.00 H new ATOM 664 N GLU A 45 -16.053 -14.973 5.138 1.00 0.00 N ATOM 665 CA GLU A 45 -16.780 -14.871 6.398 1.00 0.00 C ATOM 666 C GLU A 45 -16.001 -14.036 7.410 1.00 0.00 C ATOM 667 O GLU A 45 -16.582 -13.251 8.159 1.00 0.00 O ATOM 668 CB GLU A 45 -17.051 -16.265 6.969 1.00 0.00 C ATOM 669 CG GLU A 45 -18.427 -16.409 7.597 1.00 0.00 C ATOM 670 CD GLU A 45 -18.367 -16.608 9.099 1.00 0.00 C ATOM 671 OE1 GLU A 45 -17.387 -16.146 9.721 1.00 0.00 O ATOM 672 OE2 GLU A 45 -19.300 -17.227 9.653 1.00 0.00 O ATOM 0 H GLU A 45 -15.584 -15.867 4.993 1.00 0.00 H new ATOM 0 HA GLU A 45 -17.731 -14.376 6.201 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.946 -17.001 6.172 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -16.293 -16.495 7.718 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -19.018 -15.520 7.376 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.942 -17.255 7.143 1.00 0.00 H new ATOM 679 N LEU A 46 -14.685 -14.213 7.424 1.00 0.00 N ATOM 680 CA LEU A 46 -13.825 -13.477 8.343 1.00 0.00 C ATOM 681 C LEU A 46 -13.715 -12.012 7.931 1.00 0.00 C ATOM 682 O LEU A 46 -13.675 -11.693 6.742 1.00 0.00 O ATOM 683 CB LEU A 46 -12.434 -14.111 8.391 1.00 0.00 C ATOM 684 CG LEU A 46 -12.380 -15.503 9.023 1.00 0.00 C ATOM 685 CD1 LEU A 46 -11.149 -16.258 8.545 1.00 0.00 C ATOM 686 CD2 LEU A 46 -12.388 -15.399 10.540 1.00 0.00 C ATOM 0 H LEU A 46 -14.190 -14.860 6.810 1.00 0.00 H new ATOM 0 HA LEU A 46 -14.273 -13.524 9.336 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -12.045 -14.174 7.375 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.769 -13.450 8.947 1.00 0.00 H new ATOM 0 HG LEU A 46 -13.265 -16.058 8.712 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.127 -17.246 9.005 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.185 -16.363 7.461 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.252 -15.707 8.827 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -12.349 -16.398 10.973 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -11.521 -14.826 10.870 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -13.299 -14.898 10.866 1.00 0.00 H new ATOM 698 N SER A 47 -13.668 -11.126 8.919 1.00 0.00 N ATOM 699 CA SER A 47 -13.563 -9.695 8.659 1.00 0.00 C ATOM 700 C SER A 47 -12.108 -9.240 8.688 1.00 0.00 C ATOM 701 O SER A 47 -11.208 -10.022 8.996 1.00 0.00 O ATOM 702 CB SER A 47 -14.374 -8.907 9.690 1.00 0.00 C ATOM 703 OG SER A 47 -15.005 -7.786 9.096 1.00 0.00 O ATOM 0 H SER A 47 -13.701 -11.373 9.908 1.00 0.00 H new ATOM 0 HA SER A 47 -13.965 -9.503 7.664 1.00 0.00 H new ATOM 0 HB2 SER A 47 -15.126 -9.556 10.138 1.00 0.00 H new ATOM 0 HB3 SER A 47 -13.719 -8.575 10.495 1.00 0.00 H new ATOM 0 HG SER A 47 -15.518 -7.301 9.776 1.00 0.00 H new ATOM 709 N GLU A 48 -11.883 -7.971 8.363 1.00 0.00 N ATOM 710 CA GLU A 48 -10.537 -7.410 8.352 1.00 0.00 C ATOM 711 C GLU A 48 -9.900 -7.495 9.735 1.00 0.00 C ATOM 712 O GLU A 48 -8.705 -7.762 9.865 1.00 0.00 O ATOM 713 CB GLU A 48 -10.571 -5.956 7.880 1.00 0.00 C ATOM 714 CG GLU A 48 -10.346 -5.795 6.385 1.00 0.00 C ATOM 715 CD GLU A 48 -11.427 -4.969 5.716 1.00 0.00 C ATOM 716 OE1 GLU A 48 -11.954 -4.042 6.367 1.00 0.00 O ATOM 717 OE2 GLU A 48 -11.746 -5.249 4.542 1.00 0.00 O ATOM 0 H GLU A 48 -12.616 -7.311 8.104 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.933 -7.995 7.658 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -11.535 -5.520 8.143 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.809 -5.391 8.416 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -9.378 -5.324 6.216 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.307 -6.780 5.920 1.00 0.00 H new ATOM 724 N SER A 49 -10.707 -7.266 10.768 1.00 0.00 N ATOM 725 CA SER A 49 -10.223 -7.316 12.142 1.00 0.00 C ATOM 726 C SER A 49 -9.650 -8.691 12.468 1.00 0.00 C ATOM 727 O SER A 49 -8.604 -8.804 13.106 1.00 0.00 O ATOM 728 CB SER A 49 -11.353 -6.978 13.116 1.00 0.00 C ATOM 729 OG SER A 49 -10.873 -6.219 14.212 1.00 0.00 O ATOM 0 H SER A 49 -11.699 -7.044 10.678 1.00 0.00 H new ATOM 0 HA SER A 49 -9.429 -6.577 12.247 1.00 0.00 H new ATOM 0 HB2 SER A 49 -12.131 -6.419 12.596 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.811 -7.898 13.480 1.00 0.00 H new ATOM 0 HG SER A 49 -11.615 -6.015 14.819 1.00 0.00 H new ATOM 735 N GLU A 50 -10.343 -9.735 12.023 1.00 0.00 N ATOM 736 CA GLU A 50 -9.904 -11.104 12.266 1.00 0.00 C ATOM 737 C GLU A 50 -8.701 -11.452 11.394 1.00 0.00 C ATOM 738 O GLU A 50 -7.841 -12.239 11.790 1.00 0.00 O ATOM 739 CB GLU A 50 -11.046 -12.084 11.992 1.00 0.00 C ATOM 740 CG GLU A 50 -12.338 -11.729 12.709 1.00 0.00 C ATOM 741 CD GLU A 50 -12.379 -12.256 14.130 1.00 0.00 C ATOM 742 OE1 GLU A 50 -11.894 -13.383 14.361 1.00 0.00 O ATOM 743 OE2 GLU A 50 -12.896 -11.538 15.014 1.00 0.00 O ATOM 0 H GLU A 50 -11.211 -9.658 11.492 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.608 -11.184 13.312 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.234 -12.119 10.919 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.736 -13.084 12.294 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.455 -10.645 12.724 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -13.182 -12.134 12.151 1.00 0.00 H new ATOM 750 N LEU A 51 -8.648 -10.859 10.206 1.00 0.00 N ATOM 751 CA LEU A 51 -7.551 -11.106 9.276 1.00 0.00 C ATOM 752 C LEU A 51 -6.220 -10.661 9.872 1.00 0.00 C ATOM 753 O LEU A 51 -5.170 -11.225 9.560 1.00 0.00 O ATOM 754 CB LEU A 51 -7.802 -10.378 7.955 1.00 0.00 C ATOM 755 CG LEU A 51 -8.845 -11.028 7.045 1.00 0.00 C ATOM 756 CD1 LEU A 51 -8.962 -10.264 5.735 1.00 0.00 C ATOM 757 CD2 LEU A 51 -8.489 -12.484 6.784 1.00 0.00 C ATOM 0 H LEU A 51 -9.351 -10.204 9.864 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.502 -12.179 9.088 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.119 -9.358 8.174 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.860 -10.309 7.411 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.811 -10.994 7.549 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.709 -10.742 5.101 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.263 -9.236 5.939 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.998 -10.266 5.225 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.241 -12.932 6.135 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.514 -12.539 6.301 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.457 -13.026 7.729 1.00 0.00 H new ATOM 769 N THR A 52 -6.268 -9.646 10.730 1.00 0.00 N ATOM 770 CA THR A 52 -5.063 -9.126 11.367 1.00 0.00 C ATOM 771 C THR A 52 -4.351 -10.218 12.160 1.00 0.00 C ATOM 772 O THR A 52 -3.123 -10.241 12.239 1.00 0.00 O ATOM 773 CB THR A 52 -5.413 -7.957 12.289 1.00 0.00 C ATOM 774 OG1 THR A 52 -6.116 -6.952 11.579 1.00 0.00 O ATOM 775 CG2 THR A 52 -4.200 -7.309 12.920 1.00 0.00 C ATOM 0 H THR A 52 -7.128 -9.168 11.000 1.00 0.00 H new ATOM 0 HA THR A 52 -4.391 -8.775 10.584 1.00 0.00 H new ATOM 0 HB THR A 52 -6.028 -8.386 13.080 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.333 -6.214 12.186 1.00 0.00 H new ATOM 0 HG21 THR A 52 -4.519 -6.488 13.562 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.662 -8.047 13.515 1.00 0.00 H new ATOM 0 HG23 THR A 52 -3.544 -6.925 12.138 1.00 0.00 H new ATOM 783 N ARG A 53 -5.131 -11.121 12.747 1.00 0.00 N ATOM 784 CA ARG A 53 -4.574 -12.215 13.533 1.00 0.00 C ATOM 785 C ARG A 53 -4.049 -13.323 12.626 1.00 0.00 C ATOM 786 O ARG A 53 -2.946 -13.831 12.825 1.00 0.00 O ATOM 787 CB ARG A 53 -5.632 -12.777 14.485 1.00 0.00 C ATOM 788 CG ARG A 53 -6.193 -11.743 15.448 1.00 0.00 C ATOM 789 CD ARG A 53 -5.151 -11.296 16.462 1.00 0.00 C ATOM 790 NE ARG A 53 -4.747 -9.908 16.256 1.00 0.00 N ATOM 791 CZ ARG A 53 -3.778 -9.307 16.943 1.00 0.00 C ATOM 792 NH1 ARG A 53 -3.111 -9.970 17.879 1.00 0.00 N ATOM 793 NH2 ARG A 53 -3.476 -8.041 16.694 1.00 0.00 N ATOM 0 H ARG A 53 -6.150 -11.116 12.693 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.741 -11.823 14.117 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.450 -13.197 13.899 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.196 -13.596 15.057 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.549 -10.879 14.887 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.053 -12.161 15.970 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.552 -11.411 17.469 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.276 -11.942 16.392 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.236 -9.367 15.543 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.340 -10.945 18.075 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.369 -9.505 18.403 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.986 -7.527 15.976 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.734 -7.581 17.221 1.00 0.00 H new ATOM 807 N LEU A 54 -4.847 -13.692 11.629 1.00 0.00 N ATOM 808 CA LEU A 54 -4.463 -14.739 10.690 1.00 0.00 C ATOM 809 C LEU A 54 -3.222 -14.335 9.902 1.00 0.00 C ATOM 810 O LEU A 54 -2.401 -15.180 9.542 1.00 0.00 O ATOM 811 CB LEU A 54 -5.615 -15.039 9.729 1.00 0.00 C ATOM 812 CG LEU A 54 -5.525 -16.386 9.009 1.00 0.00 C ATOM 813 CD1 LEU A 54 -5.393 -17.520 10.015 1.00 0.00 C ATOM 814 CD2 LEU A 54 -6.740 -16.599 8.117 1.00 0.00 C ATOM 0 H LEU A 54 -5.763 -13.281 11.451 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.232 -15.638 11.262 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.551 -15.004 10.286 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.660 -14.247 8.981 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.636 -16.380 8.379 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.330 -18.471 9.485 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.491 -17.376 10.610 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.263 -17.527 10.671 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.657 -17.562 7.614 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.645 -16.584 8.725 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.789 -15.804 7.373 1.00 0.00 H new ATOM 826 N LEU A 55 -3.090 -13.040 9.638 1.00 0.00 N ATOM 827 CA LEU A 55 -1.948 -12.523 8.892 1.00 0.00 C ATOM 828 C LEU A 55 -0.675 -12.600 9.727 1.00 0.00 C ATOM 829 O LEU A 55 0.387 -12.970 9.225 1.00 0.00 O ATOM 830 CB LEU A 55 -2.204 -11.077 8.463 1.00 0.00 C ATOM 831 CG LEU A 55 -3.304 -10.899 7.416 1.00 0.00 C ATOM 832 CD1 LEU A 55 -3.894 -9.500 7.494 1.00 0.00 C ATOM 833 CD2 LEU A 55 -2.761 -11.174 6.022 1.00 0.00 C ATOM 0 H LEU A 55 -3.760 -12.328 9.930 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.817 -13.140 8.003 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.465 -10.493 9.345 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.277 -10.661 8.068 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.097 -11.617 7.624 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.675 -9.392 6.741 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.320 -9.339 8.484 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.111 -8.764 7.312 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.557 -11.043 5.289 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.949 -10.480 5.804 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.387 -12.197 5.972 1.00 0.00 H new ATOM 845 N ALA A 56 -0.788 -12.250 11.004 1.00 0.00 N ATOM 846 CA ALA A 56 0.355 -12.280 11.909 1.00 0.00 C ATOM 847 C ALA A 56 0.933 -13.687 12.016 1.00 0.00 C ATOM 848 O ALA A 56 2.148 -13.864 12.101 1.00 0.00 O ATOM 849 CB ALA A 56 -0.048 -11.766 13.283 1.00 0.00 C ATOM 0 H ALA A 56 -1.660 -11.942 11.435 1.00 0.00 H new ATOM 0 HA ALA A 56 1.128 -11.629 11.502 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.814 -11.794 13.949 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.407 -10.741 13.197 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.840 -12.395 13.689 1.00 0.00 H new ATOM 855 N ARG A 57 0.054 -14.683 12.011 1.00 0.00 N ATOM 856 CA ARG A 57 0.478 -16.077 12.107 1.00 0.00 C ATOM 857 C ARG A 57 1.258 -16.494 10.865 1.00 0.00 C ATOM 858 O ARG A 57 2.213 -17.266 10.949 1.00 0.00 O ATOM 859 CB ARG A 57 -0.736 -16.989 12.292 1.00 0.00 C ATOM 860 CG ARG A 57 -0.481 -18.156 13.232 1.00 0.00 C ATOM 861 CD ARG A 57 -1.766 -18.634 13.888 1.00 0.00 C ATOM 862 NE ARG A 57 -2.083 -17.869 15.091 1.00 0.00 N ATOM 863 CZ ARG A 57 -1.359 -17.908 16.207 1.00 0.00 C ATOM 864 NH1 ARG A 57 -0.277 -18.673 16.277 1.00 0.00 N ATOM 865 NH2 ARG A 57 -1.717 -17.179 17.255 1.00 0.00 N ATOM 0 H ARG A 57 -0.955 -14.553 11.942 1.00 0.00 H new ATOM 0 HA ARG A 57 1.132 -16.174 12.974 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.568 -16.399 12.676 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.041 -17.376 11.320 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.026 -18.978 12.679 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.232 -17.857 14.001 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.589 -18.550 13.178 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.672 -19.689 14.144 1.00 0.00 H new ATOM 0 HE ARG A 57 -2.908 -17.269 15.075 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.003 -19.235 15.473 1.00 0.00 H new ATOM 0 HH12 ARG A 57 0.274 -18.699 17.135 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -2.547 -16.588 17.206 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -1.162 -17.209 18.110 1.00 0.00 H new ATOM 879 N MET A 58 0.844 -15.978 9.712 1.00 0.00 N ATOM 880 CA MET A 58 1.504 -16.297 8.451 1.00 0.00 C ATOM 881 C MET A 58 2.904 -15.693 8.402 1.00 0.00 C ATOM 882 O MET A 58 3.850 -16.326 7.933 1.00 0.00 O ATOM 883 CB MET A 58 0.675 -15.785 7.273 1.00 0.00 C ATOM 884 CG MET A 58 -0.570 -16.612 6.999 1.00 0.00 C ATOM 885 SD MET A 58 -1.022 -16.628 5.254 1.00 0.00 S ATOM 886 CE MET A 58 -1.185 -14.873 4.931 1.00 0.00 C ATOM 0 H MET A 58 0.055 -15.338 9.625 1.00 0.00 H new ATOM 0 HA MET A 58 1.592 -17.381 8.380 1.00 0.00 H new ATOM 0 HB2 MET A 58 0.380 -14.754 7.468 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.298 -15.775 6.379 1.00 0.00 H new ATOM 0 HG2 MET A 58 -0.404 -17.635 7.337 1.00 0.00 H new ATOM 0 HG3 MET A 58 -1.401 -16.215 7.582 1.00 0.00 H new ATOM 0 HE1 MET A 58 -2.044 -14.701 4.283 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.328 -14.342 5.872 1.00 0.00 H new ATOM 0 HE3 MET A 58 -0.282 -14.508 4.442 1.00 0.00 H new ATOM 896 N TRP A 59 3.028 -14.463 8.890 1.00 0.00 N ATOM 897 CA TRP A 59 4.312 -13.771 8.902 1.00 0.00 C ATOM 898 C TRP A 59 5.338 -14.540 9.728 1.00 0.00 C ATOM 899 O TRP A 59 6.518 -14.590 9.382 1.00 0.00 O ATOM 900 CB TRP A 59 4.149 -12.356 9.459 1.00 0.00 C ATOM 901 CG TRP A 59 5.404 -11.542 9.391 1.00 0.00 C ATOM 902 CD1 TRP A 59 6.199 -11.173 10.438 1.00 0.00 C ATOM 903 CD2 TRP A 59 6.009 -10.994 8.214 1.00 0.00 C ATOM 904 NE1 TRP A 59 7.262 -10.430 9.985 1.00 0.00 N ATOM 905 CE2 TRP A 59 7.168 -10.306 8.623 1.00 0.00 C ATOM 906 CE3 TRP A 59 5.685 -11.019 6.855 1.00 0.00 C ATOM 907 CZ2 TRP A 59 8.000 -9.649 7.721 1.00 0.00 C ATOM 908 CZ3 TRP A 59 6.512 -10.367 5.961 1.00 0.00 C ATOM 909 CH2 TRP A 59 7.658 -9.691 6.397 1.00 0.00 C ATOM 0 H TRP A 59 2.255 -13.925 9.282 1.00 0.00 H new ATOM 0 HA TRP A 59 4.672 -13.710 7.875 1.00 0.00 H new ATOM 0 HB2 TRP A 59 3.362 -11.844 8.905 1.00 0.00 H new ATOM 0 HB3 TRP A 59 3.820 -12.417 10.496 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.018 -11.428 11.472 1.00 0.00 H new ATOM 0 HE1 TRP A 59 8.001 -10.035 10.567 1.00 0.00 H new ATOM 0 HE3 TRP A 59 4.804 -11.539 6.510 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 8.884 -9.125 8.054 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 6.271 -10.379 4.908 1.00 0.00 H new ATOM 0 HH2 TRP A 59 8.285 -9.192 5.673 1.00 0.00 H new ATOM 920 N ASN A 60 4.879 -15.138 10.823 1.00 0.00 N ATOM 921 CA ASN A 60 5.757 -15.904 11.699 1.00 0.00 C ATOM 922 C ASN A 60 6.282 -17.150 10.991 1.00 0.00 C ATOM 923 O ASN A 60 7.428 -17.551 11.187 1.00 0.00 O ATOM 924 CB ASN A 60 5.018 -16.303 12.977 1.00 0.00 C ATOM 925 CG ASN A 60 4.540 -15.100 13.767 1.00 0.00 C ATOM 926 OD1 ASN A 60 5.098 -14.008 13.655 1.00 0.00 O ATOM 927 ND2 ASN A 60 3.502 -15.294 14.573 1.00 0.00 N ATOM 0 H ASN A 60 3.905 -15.107 11.124 1.00 0.00 H new ATOM 0 HA ASN A 60 6.606 -15.272 11.961 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.163 -16.928 12.719 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.677 -16.906 13.602 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.137 -14.521 15.130 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.070 -16.216 14.635 1.00 0.00 H new ATOM 934 N ASP A 61 5.434 -17.755 10.165 1.00 0.00 N ATOM 935 CA ASP A 61 5.813 -18.953 9.426 1.00 0.00 C ATOM 936 C ASP A 61 6.778 -18.612 8.294 1.00 0.00 C ATOM 937 O ASP A 61 7.597 -19.439 7.893 1.00 0.00 O ATOM 938 CB ASP A 61 4.570 -19.644 8.861 1.00 0.00 C ATOM 939 CG ASP A 61 4.032 -20.715 9.790 1.00 0.00 C ATOM 940 OD1 ASP A 61 3.463 -20.358 10.843 1.00 0.00 O ATOM 941 OD2 ASP A 61 4.180 -21.912 9.465 1.00 0.00 O ATOM 0 H ASP A 61 4.481 -17.435 9.991 1.00 0.00 H new ATOM 0 HA ASP A 61 6.315 -19.631 10.116 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.794 -18.900 8.681 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.813 -20.091 7.897 1.00 0.00 H new ATOM 946 N LEU A 62 6.676 -17.388 7.784 1.00 0.00 N ATOM 947 CA LEU A 62 7.541 -16.936 6.700 1.00 0.00 C ATOM 948 C LEU A 62 9.012 -17.056 7.088 1.00 0.00 C ATOM 949 O LEU A 62 9.364 -16.957 8.263 1.00 0.00 O ATOM 950 CB LEU A 62 7.216 -15.487 6.330 1.00 0.00 C ATOM 951 CG LEU A 62 5.915 -15.294 5.548 1.00 0.00 C ATOM 952 CD1 LEU A 62 5.710 -13.826 5.203 1.00 0.00 C ATOM 953 CD2 LEU A 62 5.923 -16.147 4.287 1.00 0.00 C ATOM 0 H LEU A 62 6.003 -16.692 8.104 1.00 0.00 H new ATOM 0 HA LEU A 62 7.360 -17.575 5.836 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.163 -14.898 7.245 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.040 -15.085 5.740 1.00 0.00 H new ATOM 0 HG LEU A 62 5.083 -15.615 6.175 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.780 -13.709 4.647 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.660 -13.240 6.121 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.543 -13.476 4.594 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.991 -15.999 3.742 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.763 -15.856 3.656 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.021 -17.198 4.559 1.00 0.00 H new ATOM 965 N SER A 63 9.866 -17.271 6.093 1.00 0.00 N ATOM 966 CA SER A 63 11.298 -17.404 6.331 1.00 0.00 C ATOM 967 C SER A 63 12.042 -16.146 5.896 1.00 0.00 C ATOM 968 O SER A 63 11.439 -15.201 5.385 1.00 0.00 O ATOM 969 CB SER A 63 11.850 -18.619 5.583 1.00 0.00 C ATOM 970 OG SER A 63 11.273 -19.820 6.066 1.00 0.00 O ATOM 0 H SER A 63 9.591 -17.357 5.114 1.00 0.00 H new ATOM 0 HA SER A 63 11.451 -17.543 7.401 1.00 0.00 H new ATOM 0 HB2 SER A 63 11.647 -18.517 4.517 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.933 -18.660 5.698 1.00 0.00 H new ATOM 0 HG SER A 63 11.641 -20.582 5.571 1.00 0.00 H new ATOM 976 N GLU A 64 13.354 -16.140 6.103 1.00 0.00 N ATOM 977 CA GLU A 64 14.181 -14.998 5.733 1.00 0.00 C ATOM 978 C GLU A 64 14.133 -14.757 4.227 1.00 0.00 C ATOM 979 O GLU A 64 14.243 -13.620 3.766 1.00 0.00 O ATOM 980 CB GLU A 64 15.627 -15.222 6.179 1.00 0.00 C ATOM 981 CG GLU A 64 15.814 -15.159 7.687 1.00 0.00 C ATOM 982 CD GLU A 64 16.463 -16.409 8.248 1.00 0.00 C ATOM 983 OE1 GLU A 64 16.090 -17.519 7.815 1.00 0.00 O ATOM 984 OE2 GLU A 64 17.346 -16.279 9.123 1.00 0.00 O ATOM 0 H GLU A 64 13.868 -16.913 6.525 1.00 0.00 H new ATOM 0 HA GLU A 64 13.785 -14.116 6.237 1.00 0.00 H new ATOM 0 HB2 GLU A 64 15.963 -16.195 5.820 1.00 0.00 H new ATOM 0 HB3 GLU A 64 16.264 -14.472 5.710 1.00 0.00 H new ATOM 0 HG2 GLU A 64 16.426 -14.293 7.937 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.845 -15.012 8.164 1.00 0.00 H new ATOM 991 N LYS A 65 13.968 -15.834 3.465 1.00 0.00 N ATOM 992 CA LYS A 65 13.904 -15.740 2.011 1.00 0.00 C ATOM 993 C LYS A 65 12.582 -15.123 1.564 1.00 0.00 C ATOM 994 O LYS A 65 12.554 -14.256 0.690 1.00 0.00 O ATOM 995 CB LYS A 65 14.079 -17.124 1.383 1.00 0.00 C ATOM 996 CG LYS A 65 15.467 -17.363 0.813 1.00 0.00 C ATOM 997 CD LYS A 65 16.352 -18.114 1.797 1.00 0.00 C ATOM 998 CE LYS A 65 17.751 -18.323 1.240 1.00 0.00 C ATOM 999 NZ LYS A 65 18.560 -19.229 2.101 1.00 0.00 N ATOM 0 H LYS A 65 13.876 -16.782 3.831 1.00 0.00 H new ATOM 0 HA LYS A 65 14.715 -15.093 1.675 1.00 0.00 H new ATOM 0 HB2 LYS A 65 13.869 -17.884 2.135 1.00 0.00 H new ATOM 0 HB3 LYS A 65 13.343 -17.249 0.589 1.00 0.00 H new ATOM 0 HG2 LYS A 65 15.388 -17.931 -0.114 1.00 0.00 H new ATOM 0 HG3 LYS A 65 15.928 -16.408 0.563 1.00 0.00 H new ATOM 0 HD2 LYS A 65 16.411 -17.558 2.733 1.00 0.00 H new ATOM 0 HD3 LYS A 65 15.903 -19.080 2.028 1.00 0.00 H new ATOM 0 HE2 LYS A 65 17.683 -18.741 0.236 1.00 0.00 H new ATOM 0 HE3 LYS A 65 18.254 -17.360 1.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 19.507 -19.346 1.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 18.646 -18.818 3.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 18.093 -20.156 2.165 1.00 0.00 H new ATOM 1013 N LYS A 66 11.489 -15.578 2.168 1.00 0.00 N ATOM 1014 CA LYS A 66 10.163 -15.072 1.832 1.00 0.00 C ATOM 1015 C LYS A 66 9.984 -13.641 2.328 1.00 0.00 C ATOM 1016 O LYS A 66 9.395 -12.805 1.644 1.00 0.00 O ATOM 1017 CB LYS A 66 9.083 -15.973 2.435 1.00 0.00 C ATOM 1018 CG LYS A 66 9.115 -17.398 1.905 1.00 0.00 C ATOM 1019 CD LYS A 66 8.605 -17.472 0.474 1.00 0.00 C ATOM 1020 CE LYS A 66 9.094 -18.728 -0.226 1.00 0.00 C ATOM 1021 NZ LYS A 66 9.022 -18.602 -1.708 1.00 0.00 N ATOM 0 H LYS A 66 11.495 -16.296 2.892 1.00 0.00 H new ATOM 0 HA LYS A 66 10.065 -15.075 0.746 1.00 0.00 H new ATOM 0 HB2 LYS A 66 9.202 -15.994 3.518 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.104 -15.540 2.230 1.00 0.00 H new ATOM 0 HG2 LYS A 66 10.135 -17.781 1.949 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.506 -18.038 2.543 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.515 -17.455 0.474 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.938 -16.593 -0.078 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.123 -18.932 0.071 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.494 -19.580 0.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.365 -19.480 -2.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.037 -18.433 -1.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.614 -17.805 -2.018 1.00 0.00 H new ATOM 1035 N LYS A 67 10.496 -13.367 3.524 1.00 0.00 N ATOM 1036 CA LYS A 67 10.393 -12.037 4.113 1.00 0.00 C ATOM 1037 C LYS A 67 11.251 -11.031 3.350 1.00 0.00 C ATOM 1038 O LYS A 67 10.947 -9.838 3.321 1.00 0.00 O ATOM 1039 CB LYS A 67 10.817 -12.074 5.583 1.00 0.00 C ATOM 1040 CG LYS A 67 9.680 -12.406 6.536 1.00 0.00 C ATOM 1041 CD LYS A 67 9.985 -13.645 7.363 1.00 0.00 C ATOM 1042 CE LYS A 67 9.356 -13.564 8.745 1.00 0.00 C ATOM 1043 NZ LYS A 67 10.384 -13.461 9.818 1.00 0.00 N ATOM 0 H LYS A 67 10.986 -14.048 4.104 1.00 0.00 H new ATOM 0 HA LYS A 67 9.352 -11.720 4.048 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.610 -12.812 5.705 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.238 -11.106 5.856 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.502 -11.560 7.200 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.763 -12.564 5.968 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.614 -14.529 6.845 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.064 -13.762 7.460 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.694 -12.699 8.792 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.740 -14.447 8.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.915 -13.408 10.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.001 -14.298 9.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.956 -12.605 9.670 1.00 0.00 H new ATOM 1057 N ALA A 68 12.321 -11.520 2.733 1.00 0.00 N ATOM 1058 CA ALA A 68 13.223 -10.663 1.969 1.00 0.00 C ATOM 1059 C ALA A 68 12.474 -9.903 0.880 1.00 0.00 C ATOM 1060 O ALA A 68 12.870 -8.804 0.491 1.00 0.00 O ATOM 1061 CB ALA A 68 14.345 -11.490 1.361 1.00 0.00 C ATOM 0 H ALA A 68 12.586 -12.505 2.746 1.00 0.00 H new ATOM 0 HA ALA A 68 13.653 -9.931 2.653 1.00 0.00 H new ATOM 0 HB1 ALA A 68 15.011 -10.839 0.794 1.00 0.00 H new ATOM 0 HB2 ALA A 68 14.907 -11.980 2.156 1.00 0.00 H new ATOM 0 HB3 ALA A 68 13.922 -12.244 0.697 1.00 0.00 H new ATOM 1067 N LYS A 69 11.389 -10.495 0.389 1.00 0.00 N ATOM 1068 CA LYS A 69 10.585 -9.875 -0.658 1.00 0.00 C ATOM 1069 C LYS A 69 9.900 -8.612 -0.145 1.00 0.00 C ATOM 1070 O LYS A 69 9.648 -7.678 -0.907 1.00 0.00 O ATOM 1071 CB LYS A 69 9.538 -10.861 -1.177 1.00 0.00 C ATOM 1072 CG LYS A 69 10.111 -12.217 -1.551 1.00 0.00 C ATOM 1073 CD LYS A 69 10.444 -12.293 -3.032 1.00 0.00 C ATOM 1074 CE LYS A 69 11.924 -12.051 -3.284 1.00 0.00 C ATOM 1075 NZ LYS A 69 12.255 -12.098 -4.735 1.00 0.00 N ATOM 0 H LYS A 69 11.047 -11.404 0.700 1.00 0.00 H new ATOM 0 HA LYS A 69 11.251 -9.598 -1.475 1.00 0.00 H new ATOM 0 HB2 LYS A 69 8.771 -10.998 -0.415 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.047 -10.430 -2.050 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.010 -12.407 -0.965 1.00 0.00 H new ATOM 0 HG3 LYS A 69 9.394 -12.998 -1.298 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.163 -13.273 -3.419 1.00 0.00 H new ATOM 0 HD3 LYS A 69 9.856 -11.554 -3.577 1.00 0.00 H new ATOM 0 HE2 LYS A 69 12.207 -11.080 -2.878 1.00 0.00 H new ATOM 0 HE3 LYS A 69 12.510 -12.801 -2.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 13.273 -11.928 -4.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 12.008 -13.033 -5.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 11.715 -11.365 -5.238 1.00 0.00 H new ATOM 1089 N TYR A 70 9.599 -8.589 1.149 1.00 0.00 N ATOM 1090 CA TYR A 70 8.940 -7.440 1.759 1.00 0.00 C ATOM 1091 C TYR A 70 9.939 -6.579 2.527 1.00 0.00 C ATOM 1092 O TYR A 70 9.766 -5.366 2.643 1.00 0.00 O ATOM 1093 CB TYR A 70 7.824 -7.904 2.698 1.00 0.00 C ATOM 1094 CG TYR A 70 6.901 -8.931 2.080 1.00 0.00 C ATOM 1095 CD1 TYR A 70 7.230 -10.279 2.082 1.00 0.00 C ATOM 1096 CD2 TYR A 70 5.699 -8.549 1.496 1.00 0.00 C ATOM 1097 CE1 TYR A 70 6.388 -11.220 1.518 1.00 0.00 C ATOM 1098 CE2 TYR A 70 4.852 -9.483 0.931 1.00 0.00 C ATOM 1099 CZ TYR A 70 5.201 -10.817 0.944 1.00 0.00 C ATOM 1100 OH TYR A 70 4.360 -11.750 0.381 1.00 0.00 O ATOM 0 H TYR A 70 9.801 -9.352 1.795 1.00 0.00 H new ATOM 0 HA TYR A 70 8.508 -6.837 0.960 1.00 0.00 H new ATOM 0 HB2 TYR A 70 8.270 -8.324 3.599 1.00 0.00 H new ATOM 0 HB3 TYR A 70 7.237 -7.039 3.007 1.00 0.00 H new ATOM 0 HD1 TYR A 70 8.159 -10.599 2.531 1.00 0.00 H new ATOM 0 HD2 TYR A 70 5.423 -7.505 1.484 1.00 0.00 H new ATOM 0 HE1 TYR A 70 6.659 -12.265 1.527 1.00 0.00 H new ATOM 0 HE2 TYR A 70 3.921 -9.170 0.481 1.00 0.00 H new ATOM 0 HH TYR A 70 3.567 -11.301 0.022 1.00 0.00 H new ATOM 1110 N LYS A 71 10.982 -7.214 3.051 1.00 0.00 N ATOM 1111 CA LYS A 71 12.006 -6.504 3.809 1.00 0.00 C ATOM 1112 C LYS A 71 12.671 -5.428 2.954 1.00 0.00 C ATOM 1113 O LYS A 71 12.950 -4.329 3.431 1.00 0.00 O ATOM 1114 CB LYS A 71 13.060 -7.485 4.326 1.00 0.00 C ATOM 1115 CG LYS A 71 12.755 -8.027 5.713 1.00 0.00 C ATOM 1116 CD LYS A 71 13.275 -9.446 5.883 1.00 0.00 C ATOM 1117 CE LYS A 71 12.954 -9.994 7.264 1.00 0.00 C ATOM 1118 NZ LYS A 71 14.089 -9.813 8.212 1.00 0.00 N ATOM 0 H LYS A 71 11.141 -8.218 2.965 1.00 0.00 H new ATOM 0 HA LYS A 71 11.523 -6.020 4.658 1.00 0.00 H new ATOM 0 HB2 LYS A 71 13.142 -8.319 3.629 1.00 0.00 H new ATOM 0 HB3 LYS A 71 14.030 -6.988 4.344 1.00 0.00 H new ATOM 0 HG2 LYS A 71 13.207 -7.380 6.465 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.678 -8.010 5.883 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.833 -10.090 5.123 1.00 0.00 H new ATOM 0 HD3 LYS A 71 14.354 -9.461 5.726 1.00 0.00 H new ATOM 0 HE2 LYS A 71 12.070 -9.492 7.657 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.711 -11.054 7.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 13.830 -10.200 9.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.926 -10.313 7.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.304 -8.800 8.306 1.00 0.00 H new ATOM 1132 N ALA A 72 12.921 -5.753 1.690 1.00 0.00 N ATOM 1133 CA ALA A 72 13.552 -4.813 0.771 1.00 0.00 C ATOM 1134 C ALA A 72 12.630 -3.637 0.471 1.00 0.00 C ATOM 1135 O ALA A 72 13.084 -2.505 0.305 1.00 0.00 O ATOM 1136 CB ALA A 72 13.947 -5.519 -0.517 1.00 0.00 C ATOM 0 H ALA A 72 12.697 -6.659 1.279 1.00 0.00 H new ATOM 0 HA ALA A 72 14.451 -4.423 1.249 1.00 0.00 H new ATOM 0 HB1 ALA A 72 14.417 -4.805 -1.194 1.00 0.00 H new ATOM 0 HB2 ALA A 72 14.649 -6.322 -0.291 1.00 0.00 H new ATOM 0 HB3 ALA A 72 13.058 -5.937 -0.990 1.00 0.00 H new ATOM 1142 N ARG A 73 11.331 -3.913 0.403 1.00 0.00 N ATOM 1143 CA ARG A 73 10.343 -2.878 0.124 1.00 0.00 C ATOM 1144 C ARG A 73 10.240 -1.894 1.285 1.00 0.00 C ATOM 1145 O ARG A 73 9.914 -0.723 1.092 1.00 0.00 O ATOM 1146 CB ARG A 73 8.977 -3.508 -0.147 1.00 0.00 C ATOM 1147 CG ARG A 73 9.002 -4.572 -1.233 1.00 0.00 C ATOM 1148 CD ARG A 73 7.671 -5.300 -1.332 1.00 0.00 C ATOM 1149 NE ARG A 73 7.318 -5.609 -2.716 1.00 0.00 N ATOM 1150 CZ ARG A 73 6.386 -6.494 -3.063 1.00 0.00 C ATOM 1151 NH1 ARG A 73 5.712 -7.158 -2.133 1.00 0.00 N ATOM 1152 NH2 ARG A 73 6.128 -6.715 -4.344 1.00 0.00 N ATOM 0 H ARG A 73 10.939 -4.845 0.537 1.00 0.00 H new ATOM 0 HA ARG A 73 10.667 -2.333 -0.762 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.601 -3.951 0.775 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.275 -2.725 -0.434 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.237 -4.109 -2.192 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.795 -5.289 -1.023 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.719 -6.224 -0.755 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.888 -4.686 -0.886 1.00 0.00 H new ATOM 0 HE ARG A 73 7.815 -5.118 -3.459 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.907 -6.992 -1.146 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.999 -7.835 -2.405 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.643 -6.207 -5.063 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.414 -7.393 -4.611 1.00 0.00 H new ATOM 1166 N GLU A 74 10.520 -2.377 2.491 1.00 0.00 N ATOM 1167 CA GLU A 74 10.458 -1.540 3.684 1.00 0.00 C ATOM 1168 C GLU A 74 11.387 -0.337 3.556 1.00 0.00 C ATOM 1169 O GLU A 74 11.034 0.776 3.946 1.00 0.00 O ATOM 1170 CB GLU A 74 10.830 -2.356 4.924 1.00 0.00 C ATOM 1171 CG GLU A 74 10.723 -1.572 6.223 1.00 0.00 C ATOM 1172 CD GLU A 74 12.065 -1.056 6.703 1.00 0.00 C ATOM 1173 OE1 GLU A 74 12.861 -0.594 5.858 1.00 0.00 O ATOM 1174 OE2 GLU A 74 12.320 -1.112 7.924 1.00 0.00 O ATOM 0 H GLU A 74 10.792 -3.344 2.668 1.00 0.00 H new ATOM 0 HA GLU A 74 9.436 -1.176 3.789 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.181 -3.230 4.982 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.850 -2.724 4.814 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.044 -0.731 6.081 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.286 -2.208 6.992 1.00 0.00 H new ATOM 1181 N ALA A 75 12.575 -0.569 3.007 1.00 0.00 N ATOM 1182 CA ALA A 75 13.554 0.497 2.828 1.00 0.00 C ATOM 1183 C ALA A 75 13.054 1.545 1.840 1.00 0.00 C ATOM 1184 O ALA A 75 13.400 2.722 1.938 1.00 0.00 O ATOM 1185 CB ALA A 75 14.882 -0.081 2.361 1.00 0.00 C ATOM 0 H ALA A 75 12.883 -1.484 2.679 1.00 0.00 H new ATOM 0 HA ALA A 75 13.700 0.987 3.791 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.604 0.725 2.231 1.00 0.00 H new ATOM 0 HB2 ALA A 75 15.254 -0.785 3.105 1.00 0.00 H new ATOM 0 HB3 ALA A 75 14.740 -0.598 1.412 1.00 0.00 H new ATOM 1191 N ALA A 76 12.239 1.109 0.885 1.00 0.00 N ATOM 1192 CA ALA A 76 11.693 2.010 -0.123 1.00 0.00 C ATOM 1193 C ALA A 76 10.435 2.708 0.383 1.00 0.00 C ATOM 1194 O ALA A 76 10.138 3.836 -0.011 1.00 0.00 O ATOM 1195 CB ALA A 76 11.393 1.247 -1.405 1.00 0.00 C ATOM 0 H ALA A 76 11.942 0.138 0.788 1.00 0.00 H new ATOM 0 HA ALA A 76 12.441 2.775 -0.332 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.986 1.932 -2.149 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.312 0.801 -1.786 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.666 0.461 -1.199 1.00 0.00 H new ATOM 1201 N LEU A 77 9.699 2.032 1.259 1.00 0.00 N ATOM 1202 CA LEU A 77 8.471 2.591 1.817 1.00 0.00 C ATOM 1203 C LEU A 77 8.769 3.444 3.046 1.00 0.00 C ATOM 1204 O LEU A 77 8.329 4.590 3.139 1.00 0.00 O ATOM 1205 CB LEU A 77 7.497 1.470 2.185 1.00 0.00 C ATOM 1206 CG LEU A 77 6.995 0.636 1.003 1.00 0.00 C ATOM 1207 CD1 LEU A 77 6.784 -0.811 1.423 1.00 0.00 C ATOM 1208 CD2 LEU A 77 5.709 1.225 0.445 1.00 0.00 C ATOM 0 H LEU A 77 9.930 1.098 1.598 1.00 0.00 H new ATOM 0 HA LEU A 77 8.014 3.227 1.058 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.984 0.805 2.899 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.637 1.908 2.693 1.00 0.00 H new ATOM 0 HG LEU A 77 7.751 0.658 0.218 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.427 -1.389 0.571 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.727 -1.229 1.775 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.046 -0.853 2.224 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.366 0.620 -0.394 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.945 1.233 1.223 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.893 2.245 0.106 1.00 0.00 H new ATOM 1220 N LYS A 78 9.519 2.880 3.987 1.00 0.00 N ATOM 1221 CA LYS A 78 9.875 3.590 5.210 1.00 0.00 C ATOM 1222 C LYS A 78 10.640 4.871 4.894 1.00 0.00 C ATOM 1223 O LYS A 78 10.561 5.851 5.636 1.00 0.00 O ATOM 1224 CB LYS A 78 10.717 2.692 6.119 1.00 0.00 C ATOM 1225 CG LYS A 78 10.509 2.962 7.601 1.00 0.00 C ATOM 1226 CD LYS A 78 11.429 4.063 8.103 1.00 0.00 C ATOM 1227 CE LYS A 78 12.575 3.499 8.929 1.00 0.00 C ATOM 1228 NZ LYS A 78 12.330 3.645 10.391 1.00 0.00 N ATOM 0 H LYS A 78 9.892 1.933 3.926 1.00 0.00 H new ATOM 0 HA LYS A 78 8.953 3.857 5.726 1.00 0.00 H new ATOM 0 HB2 LYS A 78 10.476 1.650 5.911 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.771 2.830 5.877 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.471 3.245 7.778 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.691 2.048 8.167 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.829 4.619 7.255 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.858 4.769 8.706 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.712 2.445 8.687 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.500 4.010 8.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.134 3.249 10.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.224 4.652 10.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.461 3.136 10.650 1.00 0.00 H new