USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=8 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 Single : A 26 SER OG : rot -91:sc= 0.0884 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= -0.15 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.023) USER MOD Single : A 40 GLN : amide:sc= -1.37 K(o=-1.4,f=-5.1!) USER MOD Single : A 47 SER OG : rot 180:sc= 0.00731 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 68:sc= 0.276 USER MOD Single : A 58 MET CE :methyl -141:sc= -2.35 (180deg=-4.77!) USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.85) 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 5.620 1.845 6.276 1.00 0.00 N ATOM 320 CA VAL A 25 5.114 0.575 5.771 1.00 0.00 C ATOM 321 C VAL A 25 6.197 -0.498 5.792 1.00 0.00 C ATOM 322 O VAL A 25 6.838 -0.767 4.776 1.00 0.00 O ATOM 323 CB VAL A 25 4.576 0.715 4.334 1.00 0.00 C ATOM 324 CG1 VAL A 25 3.861 -0.556 3.904 1.00 0.00 C ATOM 325 CG2 VAL A 25 3.651 1.919 4.225 1.00 0.00 C ATOM 0 HA VAL A 25 4.298 0.277 6.430 1.00 0.00 H new ATOM 0 HB VAL A 25 5.421 0.873 3.664 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.488 -0.437 2.887 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.556 -1.395 3.940 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.025 -0.748 4.576 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.281 2.002 3.203 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.810 1.794 4.907 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.199 2.824 4.487 1.00 0.00 H new ATOM 335 N SER A 26 6.398 -1.105 6.956 1.00 0.00 N ATOM 336 CA SER A 26 7.405 -2.148 7.111 1.00 0.00 C ATOM 337 C SER A 26 6.999 -3.411 6.358 1.00 0.00 C ATOM 338 O SER A 26 5.908 -3.486 5.794 1.00 0.00 O ATOM 339 CB SER A 26 7.615 -2.469 8.592 1.00 0.00 C ATOM 340 OG SER A 26 6.432 -2.240 9.337 1.00 0.00 O ATOM 0 H SER A 26 5.877 -0.893 7.807 1.00 0.00 H new ATOM 0 HA SER A 26 8.341 -1.780 6.691 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.922 -3.509 8.702 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.423 -1.855 8.989 1.00 0.00 H new ATOM 0 HG SER A 26 6.431 -1.320 9.675 1.00 0.00 H new ATOM 346 N ALA A 27 7.886 -4.402 6.353 1.00 0.00 N ATOM 347 CA ALA A 27 7.620 -5.662 5.669 1.00 0.00 C ATOM 348 C ALA A 27 6.366 -6.334 6.221 1.00 0.00 C ATOM 349 O ALA A 27 5.662 -7.043 5.503 1.00 0.00 O ATOM 350 CB ALA A 27 8.817 -6.592 5.793 1.00 0.00 C ATOM 0 H ALA A 27 8.794 -4.356 6.815 1.00 0.00 H new ATOM 0 HA ALA A 27 7.449 -5.445 4.615 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.605 -7.529 5.278 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.692 -6.121 5.344 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.014 -6.793 6.846 1.00 0.00 H new ATOM 356 N MET A 28 6.093 -6.104 7.502 1.00 0.00 N ATOM 357 CA MET A 28 4.924 -6.686 8.150 1.00 0.00 C ATOM 358 C MET A 28 3.640 -6.038 7.641 1.00 0.00 C ATOM 359 O MET A 28 2.592 -6.681 7.579 1.00 0.00 O ATOM 360 CB MET A 28 5.024 -6.523 9.668 1.00 0.00 C ATOM 361 CG MET A 28 3.855 -7.133 10.425 1.00 0.00 C ATOM 362 SD MET A 28 4.242 -8.753 11.113 1.00 0.00 S ATOM 363 CE MET A 28 3.070 -8.837 12.464 1.00 0.00 C ATOM 0 H MET A 28 6.665 -5.519 8.111 1.00 0.00 H new ATOM 0 HA MET A 28 4.895 -7.748 7.906 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.950 -6.983 10.014 1.00 0.00 H new ATOM 0 HB3 MET A 28 5.087 -5.461 9.908 1.00 0.00 H new ATOM 0 HG2 MET A 28 3.559 -6.462 11.231 1.00 0.00 H new ATOM 0 HG3 MET A 28 3.000 -7.222 9.755 1.00 0.00 H new ATOM 0 HE1 MET A 28 3.186 -9.785 12.988 1.00 0.00 H new ATOM 0 HE2 MET A 28 3.253 -8.015 13.156 1.00 0.00 H new ATOM 0 HE3 MET A 28 2.056 -8.762 12.071 1.00 0.00 H new ATOM 373 N PHE A 29 3.729 -4.763 7.280 1.00 0.00 N ATOM 374 CA PHE A 29 2.574 -4.028 6.777 1.00 0.00 C ATOM 375 C PHE A 29 2.261 -4.424 5.337 1.00 0.00 C ATOM 376 O PHE A 29 1.100 -4.440 4.926 1.00 0.00 O ATOM 377 CB PHE A 29 2.825 -2.522 6.861 1.00 0.00 C ATOM 378 CG PHE A 29 1.591 -1.695 6.633 1.00 0.00 C ATOM 379 CD1 PHE A 29 1.001 -1.638 5.380 1.00 0.00 C ATOM 380 CD2 PHE A 29 1.021 -0.976 7.670 1.00 0.00 C ATOM 381 CE1 PHE A 29 -0.133 -0.879 5.167 1.00 0.00 C ATOM 382 CE2 PHE A 29 -0.114 -0.216 7.464 1.00 0.00 C ATOM 383 CZ PHE A 29 -0.692 -0.167 6.211 1.00 0.00 C ATOM 0 H PHE A 29 4.589 -4.217 7.326 1.00 0.00 H new ATOM 0 HA PHE A 29 1.715 -4.281 7.399 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.236 -2.284 7.842 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.579 -2.246 6.124 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.433 -2.194 4.561 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.469 -1.010 8.652 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.582 -0.842 4.186 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.549 0.339 8.282 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.579 0.427 6.047 1.00 0.00 H new ATOM 393 N ILE A 30 3.302 -4.741 4.575 1.00 0.00 N ATOM 394 CA ILE A 30 3.135 -5.137 3.182 1.00 0.00 C ATOM 395 C ILE A 30 2.494 -6.517 3.078 1.00 0.00 C ATOM 396 O ILE A 30 1.571 -6.724 2.290 1.00 0.00 O ATOM 397 CB ILE A 30 4.484 -5.150 2.435 1.00 0.00 C ATOM 398 CG1 ILE A 30 5.217 -3.821 2.635 1.00 0.00 C ATOM 399 CG2 ILE A 30 4.267 -5.422 0.953 1.00 0.00 C ATOM 400 CD1 ILE A 30 6.675 -3.870 2.233 1.00 0.00 C ATOM 0 H ILE A 30 4.269 -4.731 4.898 1.00 0.00 H new ATOM 0 HA ILE A 30 2.480 -4.399 2.718 1.00 0.00 H new ATOM 0 HB ILE A 30 5.101 -5.949 2.846 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.714 -3.047 2.055 1.00 0.00 H new ATOM 0 HG13 ILE A 30 5.147 -3.530 3.683 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.228 -5.428 0.440 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.783 -6.391 0.828 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.634 -4.642 0.529 1.00 0.00 H new ATOM 0 HD11 ILE A 30 7.132 -2.895 2.401 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.192 -4.621 2.830 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.753 -4.130 1.177 1.00 0.00 H new ATOM 412 N PHE A 31 2.990 -7.456 3.877 1.00 0.00 N ATOM 413 CA PHE A 31 2.464 -8.816 3.874 1.00 0.00 C ATOM 414 C PHE A 31 1.072 -8.864 4.497 1.00 0.00 C ATOM 415 O PHE A 31 0.241 -9.688 4.120 1.00 0.00 O ATOM 416 CB PHE A 31 3.409 -9.750 4.635 1.00 0.00 C ATOM 417 CG PHE A 31 2.947 -11.179 4.662 1.00 0.00 C ATOM 418 CD1 PHE A 31 3.207 -12.025 3.595 1.00 0.00 C ATOM 419 CD2 PHE A 31 2.255 -11.678 5.754 1.00 0.00 C ATOM 420 CE1 PHE A 31 2.785 -13.341 3.618 1.00 0.00 C ATOM 421 CE2 PHE A 31 1.831 -12.992 5.782 1.00 0.00 C ATOM 422 CZ PHE A 31 2.096 -13.825 4.713 1.00 0.00 C ATOM 0 H PHE A 31 3.755 -7.300 4.534 1.00 0.00 H new ATOM 0 HA PHE A 31 2.389 -9.148 2.839 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.397 -9.705 4.178 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.515 -9.391 5.659 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.745 -11.652 2.736 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.045 -11.032 6.593 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.994 -13.990 2.781 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.293 -13.368 6.639 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.765 -14.853 4.733 1.00 0.00 H new ATOM 432 N SER A 32 0.827 -7.975 5.454 1.00 0.00 N ATOM 433 CA SER A 32 -0.464 -7.916 6.131 1.00 0.00 C ATOM 434 C SER A 32 -1.501 -7.183 5.283 1.00 0.00 C ATOM 435 O SER A 32 -2.704 -7.356 5.475 1.00 0.00 O ATOM 436 CB SER A 32 -0.320 -7.225 7.488 1.00 0.00 C ATOM 437 OG SER A 32 -1.578 -7.082 8.124 1.00 0.00 O ATOM 0 H SER A 32 1.505 -7.286 5.778 1.00 0.00 H new ATOM 0 HA SER A 32 -0.808 -8.939 6.283 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.349 -7.804 8.125 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.136 -6.244 7.354 1.00 0.00 H new ATOM 0 HG SER A 32 -1.458 -6.639 8.990 1.00 0.00 H new ATOM 443 N GLU A 33 -1.029 -6.364 4.347 1.00 0.00 N ATOM 444 CA GLU A 33 -1.922 -5.607 3.477 1.00 0.00 C ATOM 445 C GLU A 33 -2.132 -6.325 2.147 1.00 0.00 C ATOM 446 O GLU A 33 -3.183 -6.194 1.519 1.00 0.00 O ATOM 447 CB GLU A 33 -1.358 -4.207 3.230 1.00 0.00 C ATOM 448 CG GLU A 33 -2.394 -3.213 2.730 1.00 0.00 C ATOM 449 CD GLU A 33 -1.964 -2.509 1.457 1.00 0.00 C ATOM 450 OE1 GLU A 33 -1.119 -1.593 1.541 1.00 0.00 O ATOM 451 OE2 GLU A 33 -2.472 -2.874 0.375 1.00 0.00 O ATOM 0 H GLU A 33 -0.036 -6.208 4.172 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.887 -5.522 3.977 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.923 -3.831 4.156 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.549 -4.273 2.502 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.335 -3.734 2.552 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.582 -2.470 3.505 1.00 0.00 H new ATOM 458 N GLU A 34 -1.125 -7.082 1.720 1.00 0.00 N ATOM 459 CA GLU A 34 -1.201 -7.816 0.463 1.00 0.00 C ATOM 460 C GLU A 34 -1.881 -9.169 0.657 1.00 0.00 C ATOM 461 O GLU A 34 -2.528 -9.685 -0.254 1.00 0.00 O ATOM 462 CB GLU A 34 0.199 -8.016 -0.120 1.00 0.00 C ATOM 463 CG GLU A 34 0.232 -8.010 -1.640 1.00 0.00 C ATOM 464 CD GLU A 34 1.505 -7.400 -2.191 1.00 0.00 C ATOM 465 OE1 GLU A 34 1.666 -6.165 -2.084 1.00 0.00 O ATOM 466 OE2 GLU A 34 2.341 -8.154 -2.731 1.00 0.00 O ATOM 0 H GLU A 34 -0.248 -7.202 2.226 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.799 -7.228 -0.234 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.854 -7.229 0.252 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.602 -8.963 0.240 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.135 -9.032 -2.006 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.626 -7.453 -2.017 1.00 0.00 H new ATOM 473 N LYS A 35 -1.726 -9.740 1.847 1.00 0.00 N ATOM 474 CA LYS A 35 -2.323 -11.034 2.156 1.00 0.00 C ATOM 475 C LYS A 35 -3.773 -10.879 2.607 1.00 0.00 C ATOM 476 O LYS A 35 -4.576 -11.803 2.469 1.00 0.00 O ATOM 477 CB LYS A 35 -1.512 -11.747 3.242 1.00 0.00 C ATOM 478 CG LYS A 35 -0.093 -12.086 2.814 1.00 0.00 C ATOM 479 CD LYS A 35 -0.040 -13.398 2.048 1.00 0.00 C ATOM 480 CE LYS A 35 0.791 -13.271 0.780 1.00 0.00 C ATOM 481 NZ LYS A 35 0.511 -14.374 -0.180 1.00 0.00 N ATOM 0 H LYS A 35 -1.193 -9.328 2.612 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.310 -11.635 1.246 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.474 -11.116 4.130 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.027 -12.665 3.525 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.302 -11.284 2.191 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.548 -12.151 3.693 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.383 -14.175 2.685 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.052 -13.712 1.791 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.582 -12.313 0.303 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.850 -13.274 1.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.097 -14.251 -1.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.734 -15.287 0.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.494 -14.356 -0.446 1.00 0.00 H new ATOM 495 N ARG A 36 -4.104 -9.710 3.148 1.00 0.00 N ATOM 496 CA ARG A 36 -5.459 -9.442 3.618 1.00 0.00 C ATOM 497 C ARG A 36 -6.476 -9.644 2.499 1.00 0.00 C ATOM 498 O ARG A 36 -7.442 -10.391 2.653 1.00 0.00 O ATOM 499 CB ARG A 36 -5.561 -8.015 4.162 1.00 0.00 C ATOM 500 CG ARG A 36 -6.911 -7.695 4.780 1.00 0.00 C ATOM 501 CD ARG A 36 -7.065 -6.206 5.042 1.00 0.00 C ATOM 502 NE ARG A 36 -5.935 -5.661 5.790 1.00 0.00 N ATOM 503 CZ ARG A 36 -5.716 -5.900 7.081 1.00 0.00 C ATOM 504 NH1 ARG A 36 -6.548 -6.673 7.771 1.00 0.00 N ATOM 505 NH2 ARG A 36 -4.663 -5.367 7.685 1.00 0.00 N ATOM 0 H ARG A 36 -3.453 -8.934 3.272 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.682 -10.147 4.419 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.783 -7.864 4.910 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.365 -7.312 3.353 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.706 -8.033 4.115 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.023 -8.244 5.715 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.159 -5.679 4.093 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.986 -6.029 5.597 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.275 -5.062 5.294 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.359 -7.087 7.312 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.375 -6.853 8.760 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.020 -4.774 7.160 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.496 -5.550 8.674 1.00 0.00 H new ATOM 519 N ARG A 37 -6.253 -8.972 1.374 1.00 0.00 N ATOM 520 CA ARG A 37 -7.152 -9.079 0.230 1.00 0.00 C ATOM 521 C ARG A 37 -7.222 -10.517 -0.276 1.00 0.00 C ATOM 522 O ARG A 37 -8.246 -10.950 -0.805 1.00 0.00 O ATOM 523 CB ARG A 37 -6.691 -8.149 -0.895 1.00 0.00 C ATOM 524 CG ARG A 37 -7.823 -7.357 -1.530 1.00 0.00 C ATOM 525 CD ARG A 37 -7.422 -5.913 -1.780 1.00 0.00 C ATOM 526 NE ARG A 37 -7.353 -5.141 -0.541 1.00 0.00 N ATOM 527 CZ ARG A 37 -6.699 -3.990 -0.419 1.00 0.00 C ATOM 528 NH1 ARG A 37 -6.055 -3.470 -1.457 1.00 0.00 N ATOM 529 NH2 ARG A 37 -6.687 -3.353 0.745 1.00 0.00 N ATOM 0 H ARG A 37 -5.459 -8.348 1.230 1.00 0.00 H new ATOM 0 HA ARG A 37 -8.149 -8.780 0.553 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.949 -7.455 -0.500 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -6.196 -8.741 -1.665 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.111 -7.824 -2.472 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -8.697 -7.385 -0.880 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.453 -5.887 -2.278 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -8.140 -5.449 -2.456 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.836 -5.507 0.280 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.060 -3.954 -2.355 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -5.555 -2.587 -1.357 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -7.180 -3.746 1.547 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -6.185 -2.470 0.838 1.00 0.00 H new ATOM 543 N GLN A 38 -6.127 -11.252 -0.109 1.00 0.00 N ATOM 544 CA GLN A 38 -6.065 -12.641 -0.548 1.00 0.00 C ATOM 545 C GLN A 38 -6.826 -13.551 0.410 1.00 0.00 C ATOM 546 O GLN A 38 -7.545 -14.455 -0.015 1.00 0.00 O ATOM 547 CB GLN A 38 -4.609 -13.098 -0.655 1.00 0.00 C ATOM 548 CG GLN A 38 -3.904 -12.602 -1.908 1.00 0.00 C ATOM 549 CD GLN A 38 -3.547 -13.725 -2.861 1.00 0.00 C ATOM 550 OE1 GLN A 38 -3.901 -13.691 -4.039 1.00 0.00 O ATOM 551 NE2 GLN A 38 -2.840 -14.729 -2.354 1.00 0.00 N ATOM 0 H GLN A 38 -5.271 -10.909 0.327 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.534 -12.706 -1.530 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.062 -12.749 0.221 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.577 -14.187 -0.638 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.545 -11.885 -2.421 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.996 -12.070 -1.623 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.568 -14.716 -1.371 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.569 -15.513 -2.948 1.00 0.00 H new ATOM 560 N LEU A 39 -6.662 -13.305 1.706 1.00 0.00 N ATOM 561 CA LEU A 39 -7.334 -14.103 2.726 1.00 0.00 C ATOM 562 C LEU A 39 -8.834 -13.823 2.737 1.00 0.00 C ATOM 563 O LEU A 39 -9.638 -14.708 3.027 1.00 0.00 O ATOM 564 CB LEU A 39 -6.739 -13.810 4.105 1.00 0.00 C ATOM 565 CG LEU A 39 -5.361 -14.422 4.359 1.00 0.00 C ATOM 566 CD1 LEU A 39 -4.899 -14.127 5.778 1.00 0.00 C ATOM 567 CD2 LEU A 39 -5.391 -15.922 4.107 1.00 0.00 C ATOM 0 H LEU A 39 -6.070 -12.560 2.075 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.181 -15.155 2.487 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.669 -12.730 4.231 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.428 -14.176 4.866 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.650 -13.971 3.667 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.917 -14.570 5.940 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.839 -13.049 5.924 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.610 -14.550 6.488 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.402 -16.342 4.292 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.115 -16.389 4.775 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.678 -16.111 3.073 1.00 0.00 H new ATOM 579 N GLN A 40 -9.202 -12.587 2.417 1.00 0.00 N ATOM 580 CA GLN A 40 -10.606 -12.191 2.390 1.00 0.00 C ATOM 581 C GLN A 40 -11.357 -12.930 1.286 1.00 0.00 C ATOM 582 O GLN A 40 -12.433 -13.483 1.517 1.00 0.00 O ATOM 583 CB GLN A 40 -10.727 -10.678 2.189 1.00 0.00 C ATOM 584 CG GLN A 40 -11.331 -9.952 3.380 1.00 0.00 C ATOM 585 CD GLN A 40 -10.692 -8.600 3.623 1.00 0.00 C ATOM 586 OE1 GLN A 40 -9.654 -8.277 3.046 1.00 0.00 O ATOM 587 NE2 GLN A 40 -11.312 -7.799 4.482 1.00 0.00 N ATOM 0 H GLN A 40 -8.549 -11.843 2.173 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.054 -12.457 3.347 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -9.738 -10.267 1.987 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.339 -10.485 1.308 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.401 -9.820 3.216 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.219 -10.568 4.272 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -12.171 -8.107 4.938 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -10.929 -6.876 4.686 1.00 0.00 H new ATOM 596 N GLU A 41 -10.784 -12.933 0.087 1.00 0.00 N ATOM 597 CA GLU A 41 -11.400 -13.603 -1.052 1.00 0.00 C ATOM 598 C GLU A 41 -11.539 -15.099 -0.794 1.00 0.00 C ATOM 599 O GLU A 41 -12.607 -15.678 -0.995 1.00 0.00 O ATOM 600 CB GLU A 41 -10.573 -13.367 -2.318 1.00 0.00 C ATOM 601 CG GLU A 41 -10.343 -11.897 -2.629 1.00 0.00 C ATOM 602 CD GLU A 41 -11.208 -11.399 -3.770 1.00 0.00 C ATOM 603 OE1 GLU A 41 -12.447 -11.514 -3.669 1.00 0.00 O ATOM 604 OE2 GLU A 41 -10.646 -10.895 -4.765 1.00 0.00 O ATOM 0 H GLU A 41 -9.894 -12.479 -0.121 1.00 0.00 H new ATOM 0 HA GLU A 41 -12.396 -13.183 -1.193 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.608 -13.862 -2.209 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.077 -13.834 -3.164 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.548 -11.305 -1.737 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.294 -11.743 -2.880 1.00 0.00 H new ATOM 611 N GLU A 42 -10.452 -15.721 -0.347 1.00 0.00 N ATOM 612 CA GLU A 42 -10.453 -17.151 -0.062 1.00 0.00 C ATOM 613 C GLU A 42 -11.314 -17.463 1.158 1.00 0.00 C ATOM 614 O GLU A 42 -11.939 -18.520 1.235 1.00 0.00 O ATOM 615 CB GLU A 42 -9.024 -17.647 0.168 1.00 0.00 C ATOM 616 CG GLU A 42 -8.187 -17.698 -1.100 1.00 0.00 C ATOM 617 CD GLU A 42 -8.285 -19.034 -1.810 1.00 0.00 C ATOM 618 OE1 GLU A 42 -8.498 -20.056 -1.125 1.00 0.00 O ATOM 619 OE2 GLU A 42 -8.147 -19.058 -3.050 1.00 0.00 O ATOM 0 H GLU A 42 -9.560 -15.257 -0.175 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.876 -17.667 -0.924 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.534 -16.995 0.891 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.060 -18.643 0.610 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.510 -16.907 -1.776 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.145 -17.499 -0.851 1.00 0.00 H new ATOM 626 N ARG A 43 -11.342 -16.533 2.109 1.00 0.00 N ATOM 627 CA ARG A 43 -12.126 -16.709 3.326 1.00 0.00 C ATOM 628 C ARG A 43 -13.059 -15.521 3.548 1.00 0.00 C ATOM 629 O ARG A 43 -12.755 -14.621 4.331 1.00 0.00 O ATOM 630 CB ARG A 43 -11.203 -16.881 4.533 1.00 0.00 C ATOM 631 CG ARG A 43 -10.333 -18.126 4.462 1.00 0.00 C ATOM 632 CD ARG A 43 -10.991 -19.305 5.161 1.00 0.00 C ATOM 633 NE ARG A 43 -11.613 -20.226 4.213 1.00 0.00 N ATOM 634 CZ ARG A 43 -12.079 -21.429 4.545 1.00 0.00 C ATOM 635 NH1 ARG A 43 -11.997 -21.858 5.798 1.00 0.00 N ATOM 636 NH2 ARG A 43 -12.629 -22.204 3.621 1.00 0.00 N ATOM 0 H ARG A 43 -10.831 -15.651 2.060 1.00 0.00 H new ATOM 0 HA ARG A 43 -12.732 -17.608 3.211 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -10.561 -16.004 4.617 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -11.807 -16.922 5.439 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -10.143 -18.380 3.419 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -9.366 -17.922 4.922 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -10.245 -19.840 5.750 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.745 -18.939 5.858 1.00 0.00 H new ATOM 0 HE ARG A 43 -11.695 -19.931 3.240 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -11.575 -21.266 6.513 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -12.356 -22.780 6.046 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -12.695 -21.879 2.656 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -12.986 -23.125 3.875 1.00 0.00 H new ATOM 650 N PRO A 44 -14.214 -15.504 2.860 1.00 0.00 N ATOM 651 CA PRO A 44 -15.193 -14.419 2.987 1.00 0.00 C ATOM 652 C PRO A 44 -15.849 -14.386 4.364 1.00 0.00 C ATOM 653 O PRO A 44 -16.364 -13.352 4.791 1.00 0.00 O ATOM 654 CB PRO A 44 -16.230 -14.745 1.908 1.00 0.00 C ATOM 655 CG PRO A 44 -16.105 -16.212 1.690 1.00 0.00 C ATOM 656 CD PRO A 44 -14.654 -16.539 1.906 1.00 0.00 C ATOM 0 HA PRO A 44 -14.730 -13.439 2.870 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -17.236 -14.478 2.233 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -16.033 -14.191 0.990 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -16.737 -16.765 2.384 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -16.421 -16.486 0.683 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.523 -17.542 2.312 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -14.088 -16.495 0.975 1.00 0.00 H new ATOM 664 N GLU A 45 -15.828 -15.522 5.055 1.00 0.00 N ATOM 665 CA GLU A 45 -16.422 -15.618 6.383 1.00 0.00 C ATOM 666 C GLU A 45 -15.600 -14.838 7.404 1.00 0.00 C ATOM 667 O GLU A 45 -16.145 -14.251 8.338 1.00 0.00 O ATOM 668 CB GLU A 45 -16.532 -17.083 6.809 1.00 0.00 C ATOM 669 CG GLU A 45 -17.828 -17.411 7.532 1.00 0.00 C ATOM 670 CD GLU A 45 -18.996 -17.592 6.581 1.00 0.00 C ATOM 671 OE1 GLU A 45 -18.969 -16.991 5.487 1.00 0.00 O ATOM 672 OE2 GLU A 45 -19.937 -18.335 6.932 1.00 0.00 O ATOM 0 H GLU A 45 -15.407 -16.387 4.717 1.00 0.00 H new ATOM 0 HA GLU A 45 -17.421 -15.183 6.341 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.448 -17.717 5.926 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.691 -17.328 7.458 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.694 -18.322 8.115 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.059 -16.613 8.237 1.00 0.00 H new ATOM 679 N LEU A 46 -14.284 -14.837 7.218 1.00 0.00 N ATOM 680 CA LEU A 46 -13.385 -14.130 8.123 1.00 0.00 C ATOM 681 C LEU A 46 -13.363 -12.637 7.811 1.00 0.00 C ATOM 682 O LEU A 46 -13.119 -12.234 6.674 1.00 0.00 O ATOM 683 CB LEU A 46 -11.971 -14.705 8.022 1.00 0.00 C ATOM 684 CG LEU A 46 -11.712 -15.942 8.884 1.00 0.00 C ATOM 685 CD1 LEU A 46 -10.368 -16.562 8.537 1.00 0.00 C ATOM 686 CD2 LEU A 46 -11.770 -15.583 10.362 1.00 0.00 C ATOM 0 H LEU A 46 -13.817 -15.318 6.449 1.00 0.00 H new ATOM 0 HA LEU A 46 -13.753 -14.265 9.140 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.772 -14.958 6.981 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.259 -13.929 8.303 1.00 0.00 H new ATOM 0 HG LEU A 46 -12.491 -16.675 8.677 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.201 -17.441 9.160 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.363 -16.855 7.487 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.575 -15.835 8.715 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.584 -16.475 10.961 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -11.012 -14.832 10.584 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -12.756 -15.185 10.601 1.00 0.00 H new ATOM 698 N SER A 47 -13.620 -11.821 8.827 1.00 0.00 N ATOM 699 CA SER A 47 -13.630 -10.372 8.661 1.00 0.00 C ATOM 700 C SER A 47 -12.220 -9.801 8.769 1.00 0.00 C ATOM 701 O SER A 47 -11.267 -10.526 9.056 1.00 0.00 O ATOM 702 CB SER A 47 -14.537 -9.724 9.708 1.00 0.00 C ATOM 703 OG SER A 47 -14.886 -8.402 9.335 1.00 0.00 O ATOM 0 H SER A 47 -13.824 -12.138 9.775 1.00 0.00 H new ATOM 0 HA SER A 47 -14.017 -10.149 7.667 1.00 0.00 H new ATOM 0 HB2 SER A 47 -15.441 -10.321 9.830 1.00 0.00 H new ATOM 0 HB3 SER A 47 -14.031 -9.711 10.673 1.00 0.00 H new ATOM 0 HG SER A 47 -15.467 -8.011 10.020 1.00 0.00 H new ATOM 709 N GLU A 48 -12.095 -8.499 8.539 1.00 0.00 N ATOM 710 CA GLU A 48 -10.801 -7.830 8.611 1.00 0.00 C ATOM 711 C GLU A 48 -10.206 -7.944 10.012 1.00 0.00 C ATOM 712 O GLU A 48 -8.989 -8.033 10.174 1.00 0.00 O ATOM 713 CB GLU A 48 -10.943 -6.357 8.219 1.00 0.00 C ATOM 714 CG GLU A 48 -9.890 -5.888 7.228 1.00 0.00 C ATOM 715 CD GLU A 48 -8.995 -4.804 7.795 1.00 0.00 C ATOM 716 OE1 GLU A 48 -8.638 -4.892 8.988 1.00 0.00 O ATOM 717 OE2 GLU A 48 -8.651 -3.865 7.045 1.00 0.00 O ATOM 0 H GLU A 48 -12.874 -7.885 8.301 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.126 -8.321 7.910 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -11.932 -6.198 7.789 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.884 -5.743 9.118 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -9.278 -6.738 6.925 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.383 -5.514 6.330 1.00 0.00 H new ATOM 724 N SER A 49 -11.072 -7.941 11.019 1.00 0.00 N ATOM 725 CA SER A 49 -10.632 -8.044 12.405 1.00 0.00 C ATOM 726 C SER A 49 -9.969 -9.393 12.667 1.00 0.00 C ATOM 727 O SER A 49 -8.967 -9.476 13.377 1.00 0.00 O ATOM 728 CB SER A 49 -11.818 -7.849 13.354 1.00 0.00 C ATOM 729 OG SER A 49 -11.756 -6.587 13.995 1.00 0.00 O ATOM 0 H SER A 49 -12.083 -7.868 10.901 1.00 0.00 H new ATOM 0 HA SER A 49 -9.898 -7.259 12.587 1.00 0.00 H new ATOM 0 HB2 SER A 49 -12.751 -7.932 12.797 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.823 -8.641 14.103 1.00 0.00 H new ATOM 0 HG SER A 49 -12.525 -6.486 14.594 1.00 0.00 H new ATOM 735 N GLU A 50 -10.535 -10.446 12.087 1.00 0.00 N ATOM 736 CA GLU A 50 -9.997 -11.791 12.257 1.00 0.00 C ATOM 737 C GLU A 50 -8.760 -11.997 11.391 1.00 0.00 C ATOM 738 O GLU A 50 -7.854 -12.747 11.754 1.00 0.00 O ATOM 739 CB GLU A 50 -11.060 -12.835 11.904 1.00 0.00 C ATOM 740 CG GLU A 50 -12.380 -12.628 12.627 1.00 0.00 C ATOM 741 CD GLU A 50 -12.304 -12.999 14.095 1.00 0.00 C ATOM 742 OE1 GLU A 50 -11.357 -12.549 14.773 1.00 0.00 O ATOM 743 OE2 GLU A 50 -13.194 -13.739 14.567 1.00 0.00 O ATOM 0 H GLU A 50 -11.365 -10.394 11.496 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.710 -11.911 13.302 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.237 -12.812 10.829 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.676 -13.827 12.143 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.681 -11.584 12.535 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -13.152 -13.226 12.144 1.00 0.00 H new ATOM 750 N LEU A 51 -8.726 -11.324 10.246 1.00 0.00 N ATOM 751 CA LEU A 51 -7.599 -11.433 9.327 1.00 0.00 C ATOM 752 C LEU A 51 -6.316 -10.929 9.979 1.00 0.00 C ATOM 753 O LEU A 51 -5.225 -11.419 9.687 1.00 0.00 O ATOM 754 CB LEU A 51 -7.878 -10.645 8.046 1.00 0.00 C ATOM 755 CG LEU A 51 -8.872 -11.302 7.086 1.00 0.00 C ATOM 756 CD1 LEU A 51 -9.083 -10.429 5.860 1.00 0.00 C ATOM 757 CD2 LEU A 51 -8.385 -12.685 6.682 1.00 0.00 C ATOM 0 H LEU A 51 -9.467 -10.697 9.932 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.469 -12.485 9.075 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.256 -9.660 8.319 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.936 -10.490 7.520 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.828 -11.411 7.598 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.793 -10.911 5.188 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.475 -9.459 6.167 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.133 -10.289 5.345 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.103 -13.139 5.999 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.418 -12.600 6.187 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.285 -13.309 7.570 1.00 0.00 H new ATOM 769 N THR A 52 -6.454 -9.947 10.865 1.00 0.00 N ATOM 770 CA THR A 52 -5.305 -9.376 11.558 1.00 0.00 C ATOM 771 C THR A 52 -4.649 -10.411 12.465 1.00 0.00 C ATOM 772 O THR A 52 -3.443 -10.362 12.709 1.00 0.00 O ATOM 773 CB THR A 52 -5.733 -8.159 12.379 1.00 0.00 C ATOM 774 OG1 THR A 52 -6.477 -7.254 11.584 1.00 0.00 O ATOM 775 CG2 THR A 52 -4.567 -7.398 12.973 1.00 0.00 C ATOM 0 H THR A 52 -7.350 -9.531 11.119 1.00 0.00 H new ATOM 0 HA THR A 52 -4.578 -9.063 10.809 1.00 0.00 H new ATOM 0 HB THR A 52 -6.338 -8.558 13.193 1.00 0.00 H new ATOM 0 HG1 THR A 52 -7.337 -7.659 11.345 1.00 0.00 H new ATOM 0 HG21 THR A 52 -4.940 -6.547 13.543 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.001 -8.056 13.632 1.00 0.00 H new ATOM 0 HG23 THR A 52 -3.919 -7.042 12.172 1.00 0.00 H new ATOM 783 N ARG A 53 -5.450 -11.345 12.966 1.00 0.00 N ATOM 784 CA ARG A 53 -4.947 -12.392 13.848 1.00 0.00 C ATOM 785 C ARG A 53 -4.212 -13.467 13.053 1.00 0.00 C ATOM 786 O ARG A 53 -3.230 -14.040 13.526 1.00 0.00 O ATOM 787 CB ARG A 53 -6.097 -13.025 14.641 1.00 0.00 C ATOM 788 CG ARG A 53 -7.197 -12.045 15.025 1.00 0.00 C ATOM 789 CD ARG A 53 -6.633 -10.776 15.649 1.00 0.00 C ATOM 790 NE ARG A 53 -5.533 -11.057 16.569 1.00 0.00 N ATOM 791 CZ ARG A 53 -5.701 -11.493 17.816 1.00 0.00 C ATOM 792 NH1 ARG A 53 -6.922 -11.699 18.295 1.00 0.00 N ATOM 793 NH2 ARG A 53 -4.646 -11.724 18.585 1.00 0.00 N ATOM 0 H ARG A 53 -6.451 -11.399 12.776 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.245 -11.935 14.545 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.532 -13.831 14.050 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.694 -13.477 15.548 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.779 -11.787 14.140 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.880 -12.523 15.727 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.284 -10.109 14.861 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.426 -10.252 16.182 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.580 -10.910 16.236 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.737 -11.523 17.707 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.045 -12.033 19.251 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.706 -11.568 18.221 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.774 -12.058 19.540 1.00 0.00 H new ATOM 807 N LEU A 54 -4.693 -13.735 11.844 1.00 0.00 N ATOM 808 CA LEU A 54 -4.083 -14.741 10.984 1.00 0.00 C ATOM 809 C LEU A 54 -2.923 -14.148 10.190 1.00 0.00 C ATOM 810 O LEU A 54 -1.941 -14.832 9.900 1.00 0.00 O ATOM 811 CB LEU A 54 -5.124 -15.325 10.028 1.00 0.00 C ATOM 812 CG LEU A 54 -4.811 -16.730 9.509 1.00 0.00 C ATOM 813 CD1 LEU A 54 -4.741 -17.721 10.660 1.00 0.00 C ATOM 814 CD2 LEU A 54 -5.854 -17.166 8.491 1.00 0.00 C ATOM 0 H LEU A 54 -5.504 -13.269 11.438 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.696 -15.538 11.619 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.088 -15.348 10.535 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.229 -14.654 9.175 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.839 -16.707 9.017 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.518 -18.715 10.272 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.957 -17.418 11.354 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.698 -17.742 11.181 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.616 -18.167 8.132 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.838 -17.173 8.959 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.856 -16.471 7.651 1.00 0.00 H new ATOM 826 N LEU A 55 -3.044 -12.872 9.839 1.00 0.00 N ATOM 827 CA LEU A 55 -2.006 -12.187 9.078 1.00 0.00 C ATOM 828 C LEU A 55 -0.701 -12.127 9.866 1.00 0.00 C ATOM 829 O LEU A 55 0.368 -12.434 9.340 1.00 0.00 O ATOM 830 CB LEU A 55 -2.460 -10.772 8.714 1.00 0.00 C ATOM 831 CG LEU A 55 -3.459 -10.690 7.559 1.00 0.00 C ATOM 832 CD1 LEU A 55 -4.150 -9.335 7.547 1.00 0.00 C ATOM 833 CD2 LEU A 55 -2.761 -10.947 6.232 1.00 0.00 C ATOM 0 H LEU A 55 -3.850 -12.292 10.069 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.831 -12.752 8.163 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.908 -10.313 9.595 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.582 -10.180 8.457 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.217 -11.460 7.703 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.857 -9.295 6.719 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.683 -9.190 8.487 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.405 -8.548 7.427 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.487 -10.885 5.421 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.982 -10.200 6.080 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.313 -11.941 6.243 1.00 0.00 H new ATOM 845 N ALA A 56 -0.799 -11.730 11.130 1.00 0.00 N ATOM 846 CA ALA A 56 0.374 -11.630 11.991 1.00 0.00 C ATOM 847 C ALA A 56 1.047 -12.986 12.163 1.00 0.00 C ATOM 848 O ALA A 56 2.274 -13.083 12.185 1.00 0.00 O ATOM 849 CB ALA A 56 -0.016 -11.057 13.346 1.00 0.00 C ATOM 0 H ALA A 56 -1.677 -11.473 11.581 1.00 0.00 H new ATOM 0 HA ALA A 56 1.088 -10.958 11.515 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.868 -10.987 13.980 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.445 -10.064 13.211 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.751 -11.709 13.819 1.00 0.00 H new ATOM 855 N ARG A 57 0.237 -14.033 12.283 1.00 0.00 N ATOM 856 CA ARG A 57 0.756 -15.385 12.452 1.00 0.00 C ATOM 857 C ARG A 57 1.405 -15.884 11.165 1.00 0.00 C ATOM 858 O ARG A 57 2.444 -16.544 11.197 1.00 0.00 O ATOM 859 CB ARG A 57 -0.367 -16.335 12.871 1.00 0.00 C ATOM 860 CG ARG A 57 0.131 -17.621 13.511 1.00 0.00 C ATOM 861 CD ARG A 57 -0.764 -18.800 13.164 1.00 0.00 C ATOM 862 NE ARG A 57 -0.178 -20.073 13.577 1.00 0.00 N ATOM 863 CZ ARG A 57 -0.093 -20.474 14.843 1.00 0.00 C ATOM 864 NH1 ARG A 57 -0.556 -19.707 15.822 1.00 0.00 N ATOM 865 NH2 ARG A 57 0.455 -21.647 15.131 1.00 0.00 N ATOM 0 H ARG A 57 -0.781 -13.971 12.266 1.00 0.00 H new ATOM 0 HA ARG A 57 1.514 -15.361 13.234 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.024 -15.821 13.572 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.967 -16.583 11.996 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.148 -17.825 13.177 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.170 -17.499 14.593 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.733 -18.674 13.647 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.943 -18.815 12.089 1.00 0.00 H new ATOM 0 HE ARG A 57 0.187 -20.691 12.852 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.980 -18.805 15.606 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -0.488 -20.020 16.790 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.811 -22.241 14.382 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.520 -21.955 16.101 1.00 0.00 H new ATOM 879 N MET A 58 0.786 -15.563 10.033 1.00 0.00 N ATOM 880 CA MET A 58 1.305 -15.978 8.734 1.00 0.00 C ATOM 881 C MET A 58 2.705 -15.419 8.503 1.00 0.00 C ATOM 882 O MET A 58 3.533 -16.045 7.842 1.00 0.00 O ATOM 883 CB MET A 58 0.367 -15.518 7.617 1.00 0.00 C ATOM 884 CG MET A 58 -0.771 -16.486 7.340 1.00 0.00 C ATOM 885 SD MET A 58 -1.219 -16.550 5.595 1.00 0.00 S ATOM 886 CE MET A 58 -1.269 -14.805 5.193 1.00 0.00 C ATOM 0 H MET A 58 -0.075 -15.017 9.989 1.00 0.00 H new ATOM 0 HA MET A 58 1.363 -17.066 8.724 1.00 0.00 H new ATOM 0 HB2 MET A 58 -0.050 -14.546 7.882 1.00 0.00 H new ATOM 0 HB3 MET A 58 0.945 -15.379 6.703 1.00 0.00 H new ATOM 0 HG2 MET A 58 -0.484 -17.483 7.674 1.00 0.00 H new ATOM 0 HG3 MET A 58 -1.643 -16.192 7.924 1.00 0.00 H new ATOM 0 HE1 MET A 58 -2.103 -14.611 4.519 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.398 -14.225 6.107 1.00 0.00 H new ATOM 0 HE3 MET A 58 -0.336 -14.516 4.709 1.00 0.00 H new ATOM 896 N TRP A 59 2.962 -14.237 9.053 1.00 0.00 N ATOM 897 CA TRP A 59 4.261 -13.592 8.907 1.00 0.00 C ATOM 898 C TRP A 59 5.361 -14.432 9.548 1.00 0.00 C ATOM 899 O TRP A 59 6.453 -14.569 8.996 1.00 0.00 O ATOM 900 CB TRP A 59 4.235 -12.198 9.536 1.00 0.00 C ATOM 901 CG TRP A 59 5.490 -11.414 9.296 1.00 0.00 C ATOM 902 CD1 TRP A 59 6.363 -10.955 10.239 1.00 0.00 C ATOM 903 CD2 TRP A 59 6.010 -10.998 8.028 1.00 0.00 C ATOM 904 NE1 TRP A 59 7.395 -10.278 9.636 1.00 0.00 N ATOM 905 CE2 TRP A 59 7.201 -10.291 8.280 1.00 0.00 C ATOM 906 CE3 TRP A 59 5.586 -11.155 6.705 1.00 0.00 C ATOM 907 CZ2 TRP A 59 7.971 -9.742 7.257 1.00 0.00 C ATOM 908 CZ3 TRP A 59 6.351 -10.610 5.692 1.00 0.00 C ATOM 909 CH2 TRP A 59 7.532 -9.911 5.972 1.00 0.00 C ATOM 0 H TRP A 59 2.287 -13.706 9.604 1.00 0.00 H new ATOM 0 HA TRP A 59 4.475 -13.498 7.842 1.00 0.00 H new ATOM 0 HB2 TRP A 59 3.386 -11.643 9.136 1.00 0.00 H new ATOM 0 HB3 TRP A 59 4.075 -12.295 10.610 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.258 -11.102 11.304 1.00 0.00 H new ATOM 0 HE1 TRP A 59 8.178 -9.838 10.119 1.00 0.00 H new ATOM 0 HE3 TRP A 59 4.677 -11.693 6.479 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 8.882 -9.202 7.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 6.033 -10.725 4.666 1.00 0.00 H new ATOM 0 HH2 TRP A 59 8.108 -9.497 5.157 1.00 0.00 H new ATOM 920 N ASN A 60 5.065 -14.993 10.715 1.00 0.00 N ATOM 921 CA ASN A 60 6.028 -15.820 11.432 1.00 0.00 C ATOM 922 C ASN A 60 6.274 -17.133 10.697 1.00 0.00 C ATOM 923 O ASN A 60 7.369 -17.692 10.751 1.00 0.00 O ATOM 924 CB ASN A 60 5.533 -16.103 12.851 1.00 0.00 C ATOM 925 CG ASN A 60 5.356 -14.836 13.665 1.00 0.00 C ATOM 926 OD1 ASN A 60 5.956 -13.804 13.366 1.00 0.00 O ATOM 927 ND2 ASN A 60 4.529 -14.910 14.702 1.00 0.00 N ATOM 0 H ASN A 60 4.165 -14.890 11.185 1.00 0.00 H new ATOM 0 HA ASN A 60 6.969 -15.272 11.485 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.583 -16.636 12.802 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.241 -16.760 13.356 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.370 -14.090 15.287 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.053 -15.787 14.913 1.00 0.00 H new ATOM 934 N ASP A 61 5.247 -17.621 10.008 1.00 0.00 N ATOM 935 CA ASP A 61 5.352 -18.869 9.261 1.00 0.00 C ATOM 936 C ASP A 61 6.328 -18.727 8.097 1.00 0.00 C ATOM 937 O ASP A 61 6.988 -19.689 7.705 1.00 0.00 O ATOM 938 CB ASP A 61 3.978 -19.293 8.740 1.00 0.00 C ATOM 939 CG ASP A 61 3.212 -20.131 9.745 1.00 0.00 C ATOM 940 OD1 ASP A 61 3.852 -20.699 10.655 1.00 0.00 O ATOM 941 OD2 ASP A 61 1.972 -20.219 9.622 1.00 0.00 O ATOM 0 H ASP A 61 4.333 -17.171 9.952 1.00 0.00 H new ATOM 0 HA ASP A 61 5.730 -19.636 9.937 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.396 -18.405 8.493 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.101 -19.860 7.817 1.00 0.00 H new ATOM 946 N LEU A 62 6.414 -17.518 7.548 1.00 0.00 N ATOM 947 CA LEU A 62 7.310 -17.250 6.429 1.00 0.00 C ATOM 948 C LEU A 62 8.758 -17.543 6.807 1.00 0.00 C ATOM 949 O LEU A 62 9.050 -17.920 7.942 1.00 0.00 O ATOM 950 CB LEU A 62 7.172 -15.795 5.976 1.00 0.00 C ATOM 951 CG LEU A 62 5.885 -15.473 5.215 1.00 0.00 C ATOM 952 CD1 LEU A 62 5.879 -14.019 4.766 1.00 0.00 C ATOM 953 CD2 LEU A 62 5.726 -16.401 4.021 1.00 0.00 C ATOM 0 H LEU A 62 5.875 -16.710 7.860 1.00 0.00 H new ATOM 0 HA LEU A 62 7.030 -17.908 5.606 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.228 -15.150 6.853 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.023 -15.546 5.342 1.00 0.00 H new ATOM 0 HG LEU A 62 5.040 -15.628 5.886 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.956 -13.809 4.226 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.946 -13.369 5.638 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.731 -13.837 4.111 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.805 -16.158 3.491 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.575 -16.277 3.349 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.684 -17.434 4.366 1.00 0.00 H new ATOM 965 N SER A 63 9.663 -17.366 5.849 1.00 0.00 N ATOM 966 CA SER A 63 11.081 -17.610 6.082 1.00 0.00 C ATOM 967 C SER A 63 11.903 -16.356 5.803 1.00 0.00 C ATOM 968 O SER A 63 11.433 -15.428 5.144 1.00 0.00 O ATOM 969 CB SER A 63 11.572 -18.761 5.201 1.00 0.00 C ATOM 970 OG SER A 63 11.401 -20.010 5.851 1.00 0.00 O ATOM 0 H SER A 63 9.439 -17.054 4.904 1.00 0.00 H new ATOM 0 HA SER A 63 11.210 -17.881 7.130 1.00 0.00 H new ATOM 0 HB2 SER A 63 11.025 -18.760 4.258 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.625 -18.614 4.959 1.00 0.00 H new ATOM 0 HG SER A 63 11.721 -20.729 5.267 1.00 0.00 H new ATOM 976 N GLU A 64 13.131 -16.335 6.309 1.00 0.00 N ATOM 977 CA GLU A 64 14.019 -15.195 6.114 1.00 0.00 C ATOM 978 C GLU A 64 14.295 -14.965 4.632 1.00 0.00 C ATOM 979 O GLU A 64 14.520 -13.834 4.199 1.00 0.00 O ATOM 980 CB GLU A 64 15.335 -15.413 6.862 1.00 0.00 C ATOM 981 CG GLU A 64 16.063 -14.122 7.202 1.00 0.00 C ATOM 982 CD GLU A 64 16.865 -14.228 8.485 1.00 0.00 C ATOM 983 OE1 GLU A 64 16.277 -14.586 9.526 1.00 0.00 O ATOM 984 OE2 GLU A 64 18.083 -13.951 8.447 1.00 0.00 O ATOM 0 H GLU A 64 13.534 -17.095 6.857 1.00 0.00 H new ATOM 0 HA GLU A 64 13.524 -14.310 6.513 1.00 0.00 H new ATOM 0 HB2 GLU A 64 15.133 -15.960 7.783 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.989 -16.040 6.255 1.00 0.00 H new ATOM 0 HG2 GLU A 64 16.730 -13.858 6.381 1.00 0.00 H new ATOM 0 HG3 GLU A 64 15.338 -13.314 7.296 1.00 0.00 H new ATOM 991 N LYS A 65 14.279 -16.045 3.857 1.00 0.00 N ATOM 992 CA LYS A 65 14.529 -15.960 2.423 1.00 0.00 C ATOM 993 C LYS A 65 13.345 -15.326 1.699 1.00 0.00 C ATOM 994 O LYS A 65 13.522 -14.521 0.785 1.00 0.00 O ATOM 995 CB LYS A 65 14.807 -17.352 1.849 1.00 0.00 C ATOM 996 CG LYS A 65 16.250 -17.799 2.016 1.00 0.00 C ATOM 997 CD LYS A 65 16.348 -19.306 2.189 1.00 0.00 C ATOM 998 CE LYS A 65 17.417 -19.681 3.204 1.00 0.00 C ATOM 999 NZ LYS A 65 17.595 -21.156 3.305 1.00 0.00 N ATOM 0 H LYS A 65 14.096 -16.989 4.198 1.00 0.00 H new ATOM 0 HA LYS A 65 15.405 -15.329 2.270 1.00 0.00 H new ATOM 0 HB2 LYS A 65 14.152 -18.075 2.336 1.00 0.00 H new ATOM 0 HB3 LYS A 65 14.554 -17.356 0.789 1.00 0.00 H new ATOM 0 HG2 LYS A 65 16.830 -17.493 1.146 1.00 0.00 H new ATOM 0 HG3 LYS A 65 16.688 -17.303 2.882 1.00 0.00 H new ATOM 0 HD2 LYS A 65 15.384 -19.700 2.511 1.00 0.00 H new ATOM 0 HD3 LYS A 65 16.577 -19.770 1.229 1.00 0.00 H new ATOM 0 HE2 LYS A 65 18.363 -19.220 2.921 1.00 0.00 H new ATOM 0 HE3 LYS A 65 17.146 -19.280 4.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 18.332 -21.369 4.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.699 -21.594 3.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 17.878 -21.536 2.379 1.00 0.00 H new ATOM 1013 N LYS A 66 12.138 -15.695 2.114 1.00 0.00 N ATOM 1014 CA LYS A 66 10.924 -15.162 1.505 1.00 0.00 C ATOM 1015 C LYS A 66 10.609 -13.771 2.043 1.00 0.00 C ATOM 1016 O LYS A 66 10.044 -12.934 1.338 1.00 0.00 O ATOM 1017 CB LYS A 66 9.744 -16.102 1.760 1.00 0.00 C ATOM 1018 CG LYS A 66 9.758 -17.347 0.888 1.00 0.00 C ATOM 1019 CD LYS A 66 8.393 -17.614 0.272 1.00 0.00 C ATOM 1020 CE LYS A 66 7.380 -18.035 1.325 1.00 0.00 C ATOM 1021 NZ LYS A 66 6.465 -19.097 0.823 1.00 0.00 N ATOM 0 H LYS A 66 11.974 -16.361 2.869 1.00 0.00 H new ATOM 0 HA LYS A 66 11.091 -15.085 0.431 1.00 0.00 H new ATOM 0 HB2 LYS A 66 9.750 -16.402 2.808 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.814 -15.559 1.589 1.00 0.00 H new ATOM 0 HG2 LYS A 66 10.498 -17.229 0.097 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.063 -18.207 1.485 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.040 -16.717 -0.236 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.480 -18.395 -0.484 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.905 -18.396 2.209 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.795 -17.168 1.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.790 -19.356 1.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.945 -18.744 -0.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.020 -19.934 0.553 1.00 0.00 H new ATOM 1035 N LYS A 67 10.978 -13.529 3.297 1.00 0.00 N ATOM 1036 CA LYS A 67 10.735 -12.238 3.931 1.00 0.00 C ATOM 1037 C LYS A 67 11.579 -11.144 3.285 1.00 0.00 C ATOM 1038 O LYS A 67 11.218 -9.967 3.319 1.00 0.00 O ATOM 1039 CB LYS A 67 11.038 -12.317 5.428 1.00 0.00 C ATOM 1040 CG LYS A 67 9.815 -12.617 6.281 1.00 0.00 C ATOM 1041 CD LYS A 67 10.160 -13.527 7.449 1.00 0.00 C ATOM 1042 CE LYS A 67 9.370 -13.157 8.695 1.00 0.00 C ATOM 1043 NZ LYS A 67 9.885 -13.854 9.905 1.00 0.00 N ATOM 0 H LYS A 67 11.447 -14.210 3.894 1.00 0.00 H new ATOM 0 HA LYS A 67 9.683 -11.987 3.793 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.788 -13.089 5.598 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.474 -11.372 5.752 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.395 -11.684 6.657 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.048 -13.087 5.666 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.952 -14.562 7.179 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.227 -13.461 7.660 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.418 -12.079 8.849 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.320 -13.411 8.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.320 -13.575 10.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 9.816 -14.883 9.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.879 -13.592 10.060 1.00 0.00 H new ATOM 1057 N ALA A 68 12.705 -11.537 2.697 1.00 0.00 N ATOM 1058 CA ALA A 68 13.602 -10.589 2.044 1.00 0.00 C ATOM 1059 C ALA A 68 12.863 -9.760 0.999 1.00 0.00 C ATOM 1060 O ALA A 68 13.227 -8.615 0.728 1.00 0.00 O ATOM 1061 CB ALA A 68 14.772 -11.322 1.407 1.00 0.00 C ATOM 0 H ALA A 68 13.018 -12.507 2.659 1.00 0.00 H new ATOM 0 HA ALA A 68 13.984 -9.908 2.805 1.00 0.00 H new ATOM 0 HB1 ALA A 68 15.433 -10.602 0.924 1.00 0.00 H new ATOM 0 HB2 ALA A 68 15.325 -11.863 2.175 1.00 0.00 H new ATOM 0 HB3 ALA A 68 14.399 -12.027 0.665 1.00 0.00 H new ATOM 1067 N LYS A 69 11.822 -10.344 0.413 1.00 0.00 N ATOM 1068 CA LYS A 69 11.033 -9.658 -0.603 1.00 0.00 C ATOM 1069 C LYS A 69 10.380 -8.403 -0.031 1.00 0.00 C ATOM 1070 O LYS A 69 10.571 -7.302 -0.547 1.00 0.00 O ATOM 1071 CB LYS A 69 9.959 -10.593 -1.164 1.00 0.00 C ATOM 1072 CG LYS A 69 10.519 -11.871 -1.765 1.00 0.00 C ATOM 1073 CD LYS A 69 11.214 -11.604 -3.091 1.00 0.00 C ATOM 1074 CE LYS A 69 11.295 -12.863 -3.941 1.00 0.00 C ATOM 1075 NZ LYS A 69 12.325 -13.810 -3.433 1.00 0.00 N ATOM 0 H LYS A 69 11.506 -11.290 0.625 1.00 0.00 H new ATOM 0 HA LYS A 69 11.705 -9.362 -1.408 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.262 -10.851 -0.367 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.389 -10.062 -1.927 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.224 -12.324 -1.068 1.00 0.00 H new ATOM 0 HG3 LYS A 69 9.712 -12.589 -1.914 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.675 -10.830 -3.636 1.00 0.00 H new ATOM 0 HD3 LYS A 69 12.218 -11.223 -2.906 1.00 0.00 H new ATOM 0 HE2 LYS A 69 10.323 -13.356 -3.953 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.528 -12.592 -4.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 12.349 -14.655 -4.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.257 -13.349 -3.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 12.090 -14.089 -2.459 1.00 0.00 H new ATOM 1089 N TYR A 70 9.609 -8.578 1.037 1.00 0.00 N ATOM 1090 CA TYR A 70 8.928 -7.459 1.679 1.00 0.00 C ATOM 1091 C TYR A 70 9.917 -6.585 2.445 1.00 0.00 C ATOM 1092 O TYR A 70 9.739 -5.371 2.546 1.00 0.00 O ATOM 1093 CB TYR A 70 7.843 -7.971 2.627 1.00 0.00 C ATOM 1094 CG TYR A 70 6.989 -9.071 2.035 1.00 0.00 C ATOM 1095 CD1 TYR A 70 5.905 -8.772 1.220 1.00 0.00 C ATOM 1096 CD2 TYR A 70 7.268 -10.407 2.292 1.00 0.00 C ATOM 1097 CE1 TYR A 70 5.123 -9.772 0.677 1.00 0.00 C ATOM 1098 CE2 TYR A 70 6.491 -11.414 1.753 1.00 0.00 C ATOM 1099 CZ TYR A 70 5.420 -11.092 0.946 1.00 0.00 C ATOM 1100 OH TYR A 70 4.644 -12.092 0.407 1.00 0.00 O ATOM 0 H TYR A 70 9.440 -9.483 1.476 1.00 0.00 H new ATOM 0 HA TYR A 70 8.465 -6.854 0.900 1.00 0.00 H new ATOM 0 HB2 TYR A 70 8.313 -8.339 3.539 1.00 0.00 H new ATOM 0 HB3 TYR A 70 7.201 -7.138 2.913 1.00 0.00 H new ATOM 0 HD1 TYR A 70 5.670 -7.740 1.007 1.00 0.00 H new ATOM 0 HD2 TYR A 70 8.106 -10.663 2.923 1.00 0.00 H new ATOM 0 HE1 TYR A 70 4.283 -9.522 0.045 1.00 0.00 H new ATOM 0 HE2 TYR A 70 6.721 -12.448 1.963 1.00 0.00 H new ATOM 0 HH TYR A 70 4.988 -12.964 0.693 1.00 0.00 H new ATOM 1110 N LYS A 71 10.960 -7.211 2.982 1.00 0.00 N ATOM 1111 CA LYS A 71 11.977 -6.491 3.740 1.00 0.00 C ATOM 1112 C LYS A 71 12.654 -5.434 2.873 1.00 0.00 C ATOM 1113 O LYS A 71 12.913 -4.319 3.325 1.00 0.00 O ATOM 1114 CB LYS A 71 13.022 -7.466 4.285 1.00 0.00 C ATOM 1115 CG LYS A 71 12.680 -8.018 5.660 1.00 0.00 C ATOM 1116 CD LYS A 71 13.391 -9.335 5.924 1.00 0.00 C ATOM 1117 CE LYS A 71 13.157 -9.821 7.345 1.00 0.00 C ATOM 1118 NZ LYS A 71 14.398 -10.370 7.956 1.00 0.00 N ATOM 0 H LYS A 71 11.123 -8.215 2.906 1.00 0.00 H new ATOM 0 HA LYS A 71 11.487 -5.991 4.575 1.00 0.00 H new ATOM 0 HB2 LYS A 71 13.132 -8.296 3.587 1.00 0.00 H new ATOM 0 HB3 LYS A 71 13.987 -6.961 4.335 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.960 -7.293 6.424 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.602 -8.163 5.737 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.038 -10.087 5.219 1.00 0.00 H new ATOM 0 HD3 LYS A 71 14.460 -9.213 5.752 1.00 0.00 H new ATOM 0 HE2 LYS A 71 12.787 -8.996 7.954 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.383 -10.589 7.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.196 -10.690 8.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.738 -11.173 7.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 15.129 -9.631 7.982 1.00 0.00 H new ATOM 1132 N ALA A 72 12.939 -5.793 1.625 1.00 0.00 N ATOM 1133 CA ALA A 72 13.587 -4.874 0.696 1.00 0.00 C ATOM 1134 C ALA A 72 12.695 -3.675 0.397 1.00 0.00 C ATOM 1135 O ALA A 72 13.167 -2.540 0.325 1.00 0.00 O ATOM 1136 CB ALA A 72 13.950 -5.598 -0.592 1.00 0.00 C ATOM 0 H ALA A 72 12.732 -6.712 1.234 1.00 0.00 H new ATOM 0 HA ALA A 72 14.500 -4.506 1.164 1.00 0.00 H new ATOM 0 HB1 ALA A 72 14.433 -4.901 -1.277 1.00 0.00 H new ATOM 0 HB2 ALA A 72 14.632 -6.419 -0.368 1.00 0.00 H new ATOM 0 HB3 ALA A 72 13.046 -5.993 -1.054 1.00 0.00 H new ATOM 1142 N ARG A 73 11.403 -3.932 0.224 1.00 0.00 N ATOM 1143 CA ARG A 73 10.444 -2.873 -0.068 1.00 0.00 C ATOM 1144 C ARG A 73 10.353 -1.885 1.091 1.00 0.00 C ATOM 1145 O ARG A 73 10.081 -0.701 0.889 1.00 0.00 O ATOM 1146 CB ARG A 73 9.064 -3.470 -0.353 1.00 0.00 C ATOM 1147 CG ARG A 73 9.013 -4.302 -1.623 1.00 0.00 C ATOM 1148 CD ARG A 73 7.753 -5.151 -1.682 1.00 0.00 C ATOM 1149 NE ARG A 73 7.547 -5.734 -3.006 1.00 0.00 N ATOM 1150 CZ ARG A 73 7.197 -5.029 -4.079 1.00 0.00 C ATOM 1151 NH1 ARG A 73 7.014 -3.718 -3.991 1.00 0.00 N ATOM 1152 NH2 ARG A 73 7.032 -5.638 -5.245 1.00 0.00 N ATOM 0 H ARG A 73 10.996 -4.865 0.281 1.00 0.00 H new ATOM 0 HA ARG A 73 10.791 -2.338 -0.952 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.765 -4.091 0.491 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.336 -2.662 -0.428 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.051 -3.645 -2.492 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.890 -4.947 -1.672 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.818 -5.948 -0.941 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.891 -4.539 -1.417 1.00 0.00 H new ATOM 0 HE ARG A 73 7.679 -6.740 -3.114 1.00 0.00 H new ATOM 0 HH11 ARG A 73 7.142 -3.244 -3.097 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.746 -3.184 -4.818 1.00 0.00 H new ATOM 0 HH21 ARG A 73 7.173 -6.645 -5.319 1.00 0.00 H new ATOM 0 HH22 ARG A 73 6.764 -5.099 -6.068 1.00 0.00 H new ATOM 1166 N GLU A 74 10.584 -2.377 2.303 1.00 0.00 N ATOM 1167 CA GLU A 74 10.527 -1.537 3.494 1.00 0.00 C ATOM 1168 C GLU A 74 11.531 -0.392 3.401 1.00 0.00 C ATOM 1169 O GLU A 74 11.229 0.742 3.773 1.00 0.00 O ATOM 1170 CB GLU A 74 10.802 -2.372 4.746 1.00 0.00 C ATOM 1171 CG GLU A 74 10.731 -1.573 6.038 1.00 0.00 C ATOM 1172 CD GLU A 74 12.094 -1.101 6.506 1.00 0.00 C ATOM 1173 OE1 GLU A 74 12.805 -1.892 7.159 1.00 0.00 O ATOM 1174 OE2 GLU A 74 12.450 0.061 6.218 1.00 0.00 O ATOM 0 H GLU A 74 10.813 -3.354 2.487 1.00 0.00 H new ATOM 0 HA GLU A 74 9.525 -1.113 3.562 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.082 -3.189 4.793 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.790 -2.824 4.662 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.082 -0.710 5.892 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.276 -2.186 6.816 1.00 0.00 H new ATOM 1181 N ALA A 75 12.724 -0.696 2.906 1.00 0.00 N ATOM 1182 CA ALA A 75 13.773 0.307 2.766 1.00 0.00 C ATOM 1183 C ALA A 75 13.343 1.427 1.824 1.00 0.00 C ATOM 1184 O ALA A 75 13.792 2.566 1.953 1.00 0.00 O ATOM 1185 CB ALA A 75 15.057 -0.339 2.268 1.00 0.00 C ATOM 0 H ALA A 75 12.990 -1.630 2.594 1.00 0.00 H new ATOM 0 HA ALA A 75 13.955 0.744 3.748 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.832 0.421 2.168 1.00 0.00 H new ATOM 0 HB2 ALA A 75 15.383 -1.097 2.980 1.00 0.00 H new ATOM 0 HB3 ALA A 75 14.878 -0.804 1.299 1.00 0.00 H new ATOM 1191 N ALA A 76 12.472 1.097 0.876 1.00 0.00 N ATOM 1192 CA ALA A 76 11.986 2.076 -0.088 1.00 0.00 C ATOM 1193 C ALA A 76 10.730 2.776 0.421 1.00 0.00 C ATOM 1194 O ALA A 76 10.478 3.936 0.092 1.00 0.00 O ATOM 1195 CB ALA A 76 11.712 1.407 -1.427 1.00 0.00 C ATOM 0 H ALA A 76 12.089 0.159 0.755 1.00 0.00 H new ATOM 0 HA ALA A 76 12.761 2.831 -0.221 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.350 2.150 -2.137 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.632 0.961 -1.806 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.958 0.630 -1.298 1.00 0.00 H new ATOM 1201 N LEU A 77 9.944 2.066 1.221 1.00 0.00 N ATOM 1202 CA LEU A 77 8.713 2.620 1.773 1.00 0.00 C ATOM 1203 C LEU A 77 9.000 3.474 3.003 1.00 0.00 C ATOM 1204 O LEU A 77 8.483 4.583 3.136 1.00 0.00 O ATOM 1205 CB LEU A 77 7.739 1.497 2.134 1.00 0.00 C ATOM 1206 CG LEU A 77 7.161 0.733 0.941 1.00 0.00 C ATOM 1207 CD1 LEU A 77 6.425 -0.512 1.410 1.00 0.00 C ATOM 1208 CD2 LEU A 77 6.234 1.630 0.134 1.00 0.00 C ATOM 0 H LEU A 77 10.137 1.105 1.502 1.00 0.00 H new ATOM 0 HA LEU A 77 8.260 3.255 1.012 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.250 0.789 2.786 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.915 1.922 2.708 1.00 0.00 H new ATOM 0 HG LEU A 77 7.985 0.422 0.299 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.021 -1.042 0.548 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.116 -1.163 1.945 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.610 -0.224 2.074 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.831 1.071 -0.711 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.415 1.970 0.767 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.791 2.492 -0.233 1.00 0.00 H new ATOM 1220 N LYS A 78 9.829 2.951 3.902 1.00 0.00 N ATOM 1221 CA LYS A 78 10.183 3.665 5.122 1.00 0.00 C ATOM 1222 C LYS A 78 10.829 5.010 4.800 1.00 0.00 C ATOM 1223 O LYS A 78 10.702 5.968 5.563 1.00 0.00 O ATOM 1224 CB LYS A 78 11.134 2.822 5.973 1.00 0.00 C ATOM 1225 CG LYS A 78 10.939 3.008 7.470 1.00 0.00 C ATOM 1226 CD LYS A 78 12.045 3.856 8.077 1.00 0.00 C ATOM 1227 CE LYS A 78 12.381 3.405 9.489 1.00 0.00 C ATOM 1228 NZ LYS A 78 11.708 4.247 10.516 1.00 0.00 N ATOM 0 H LYS A 78 10.268 2.035 3.807 1.00 0.00 H new ATOM 0 HA LYS A 78 9.267 3.848 5.684 1.00 0.00 H new ATOM 0 HB2 LYS A 78 10.994 1.770 5.725 1.00 0.00 H new ATOM 0 HB3 LYS A 78 12.162 3.077 5.715 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.974 3.480 7.656 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.917 2.034 7.958 1.00 0.00 H new ATOM 0 HD2 LYS A 78 12.936 3.795 7.453 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.737 4.902 8.091 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.081 2.365 9.619 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.460 3.446 9.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.963 3.907 11.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.013 5.235 10.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.677 4.188 10.392 1.00 0.00 H new