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 Single : A 26 SER OG : rot -91:sc= 0.0783 USER MOD Single : A 28 MET CE :methyl -118:sc= -0.25 (180deg=-0.864) USER MOD Single : A 32 SER OG : rot -16:sc= 0.0453! USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.215 X(o=-0.22,f=-0.019) USER MOD Single : A 40 GLN :FLIP amide:sc= -1.72 F(o=-3.9,f=-1.7) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0.0319 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0189 USER MOD Single : A 58 MET CE :methyl -134:sc= -0.204 (180deg=-0.866) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.28) 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 5.589 2.013 6.746 1.00 0.00 N ATOM 320 CA VAL A 25 5.108 0.737 6.230 1.00 0.00 C ATOM 321 C VAL A 25 6.198 -0.328 6.291 1.00 0.00 C ATOM 322 O VAL A 25 6.930 -0.538 5.324 1.00 0.00 O ATOM 323 CB VAL A 25 4.618 0.868 4.775 1.00 0.00 C ATOM 324 CG1 VAL A 25 3.938 -0.414 4.321 1.00 0.00 C ATOM 325 CG2 VAL A 25 3.679 2.057 4.632 1.00 0.00 C ATOM 0 HA VAL A 25 4.273 0.436 6.863 1.00 0.00 H new ATOM 0 HB VAL A 25 5.484 1.038 4.135 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.599 -0.301 3.291 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.644 -1.242 4.382 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.082 -0.619 4.964 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.343 2.133 3.598 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.816 1.920 5.284 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.204 2.971 4.912 1.00 0.00 H new ATOM 335 N SER A 26 6.299 -0.997 7.435 1.00 0.00 N ATOM 336 CA SER A 26 7.300 -2.041 7.622 1.00 0.00 C ATOM 337 C SER A 26 6.941 -3.288 6.819 1.00 0.00 C ATOM 338 O SER A 26 5.901 -3.339 6.164 1.00 0.00 O ATOM 339 CB SER A 26 7.428 -2.394 9.104 1.00 0.00 C ATOM 340 OG SER A 26 6.176 -2.304 9.761 1.00 0.00 O ATOM 0 H SER A 26 5.701 -0.835 8.245 1.00 0.00 H new ATOM 0 HA SER A 26 8.257 -1.662 7.262 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.824 -3.404 9.207 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.141 -1.722 9.581 1.00 0.00 H new ATOM 0 HG SER A 26 6.062 -1.401 10.125 1.00 0.00 H new ATOM 346 N ALA A 27 7.810 -4.292 6.876 1.00 0.00 N ATOM 347 CA ALA A 27 7.585 -5.540 6.155 1.00 0.00 C ATOM 348 C ALA A 27 6.292 -6.209 6.607 1.00 0.00 C ATOM 349 O ALA A 27 5.543 -6.748 5.793 1.00 0.00 O ATOM 350 CB ALA A 27 8.764 -6.481 6.349 1.00 0.00 C ATOM 0 H ALA A 27 8.676 -4.266 7.414 1.00 0.00 H new ATOM 0 HA ALA A 27 7.491 -5.307 5.094 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.583 -7.408 5.806 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.671 -6.010 5.971 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.884 -6.700 7.410 1.00 0.00 H new ATOM 356 N MET A 28 6.035 -6.169 7.910 1.00 0.00 N ATOM 357 CA MET A 28 4.831 -6.771 8.472 1.00 0.00 C ATOM 358 C MET A 28 3.578 -6.133 7.883 1.00 0.00 C ATOM 359 O MET A 28 2.544 -6.787 7.740 1.00 0.00 O ATOM 360 CB MET A 28 4.825 -6.626 9.994 1.00 0.00 C ATOM 361 CG MET A 28 3.800 -7.509 10.686 1.00 0.00 C ATOM 362 SD MET A 28 4.551 -8.707 11.808 1.00 0.00 S ATOM 363 CE MET A 28 3.129 -9.707 12.238 1.00 0.00 C ATOM 0 H MET A 28 6.645 -5.726 8.597 1.00 0.00 H new ATOM 0 HA MET A 28 4.832 -7.830 8.216 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.817 -6.866 10.377 1.00 0.00 H new ATOM 0 HB3 MET A 28 4.628 -5.585 10.251 1.00 0.00 H new ATOM 0 HG2 MET A 28 3.105 -6.882 11.244 1.00 0.00 H new ATOM 0 HG3 MET A 28 3.217 -8.039 9.933 1.00 0.00 H new ATOM 0 HE1 MET A 28 2.945 -9.636 13.310 1.00 0.00 H new ATOM 0 HE2 MET A 28 2.254 -9.349 11.695 1.00 0.00 H new ATOM 0 HE3 MET A 28 3.321 -10.746 11.971 1.00 0.00 H new ATOM 373 N PHE A 29 3.675 -4.852 7.545 1.00 0.00 N ATOM 374 CA PHE A 29 2.549 -4.123 6.971 1.00 0.00 C ATOM 375 C PHE A 29 2.307 -4.545 5.525 1.00 0.00 C ATOM 376 O PHE A 29 1.165 -4.737 5.108 1.00 0.00 O ATOM 377 CB PHE A 29 2.802 -2.617 7.041 1.00 0.00 C ATOM 378 CG PHE A 29 1.584 -1.788 6.745 1.00 0.00 C ATOM 379 CD1 PHE A 29 1.044 -1.757 5.467 1.00 0.00 C ATOM 380 CD2 PHE A 29 0.978 -1.042 7.742 1.00 0.00 C ATOM 381 CE1 PHE A 29 -0.076 -0.996 5.193 1.00 0.00 C ATOM 382 CE2 PHE A 29 -0.143 -0.279 7.473 1.00 0.00 C ATOM 383 CZ PHE A 29 -0.670 -0.257 6.197 1.00 0.00 C ATOM 0 H PHE A 29 4.523 -4.296 7.659 1.00 0.00 H new ATOM 0 HA PHE A 29 1.659 -4.362 7.553 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.170 -2.365 8.035 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.589 -2.356 6.334 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.504 -2.334 4.678 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.386 -1.056 8.742 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.487 -0.979 4.194 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.606 0.299 8.259 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.546 0.338 5.984 1.00 0.00 H new ATOM 393 N ILE A 30 3.388 -4.684 4.766 1.00 0.00 N ATOM 394 CA ILE A 30 3.292 -5.082 3.366 1.00 0.00 C ATOM 395 C ILE A 30 2.674 -6.470 3.232 1.00 0.00 C ATOM 396 O ILE A 30 1.804 -6.693 2.389 1.00 0.00 O ATOM 397 CB ILE A 30 4.674 -5.076 2.683 1.00 0.00 C ATOM 398 CG1 ILE A 30 5.376 -3.736 2.913 1.00 0.00 C ATOM 399 CG2 ILE A 30 4.533 -5.355 1.194 1.00 0.00 C ATOM 400 CD1 ILE A 30 6.862 -3.868 3.169 1.00 0.00 C ATOM 0 H ILE A 30 4.340 -4.527 5.096 1.00 0.00 H new ATOM 0 HA ILE A 30 2.650 -4.353 2.872 1.00 0.00 H new ATOM 0 HB ILE A 30 5.282 -5.865 3.125 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.221 -3.099 2.042 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.913 -3.233 3.762 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.518 -5.347 0.727 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.071 -6.331 1.049 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.909 -4.587 0.737 1.00 0.00 H new ATOM 0 HD11 ILE A 30 7.294 -2.879 3.323 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.025 -4.478 4.057 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.338 -4.342 2.311 1.00 0.00 H new ATOM 412 N PHE A 31 3.127 -7.399 4.067 1.00 0.00 N ATOM 413 CA PHE A 31 2.615 -8.765 4.041 1.00 0.00 C ATOM 414 C PHE A 31 1.216 -8.831 4.643 1.00 0.00 C ATOM 415 O PHE A 31 0.390 -9.647 4.231 1.00 0.00 O ATOM 416 CB PHE A 31 3.556 -9.699 4.803 1.00 0.00 C ATOM 417 CG PHE A 31 3.124 -11.139 4.778 1.00 0.00 C ATOM 418 CD1 PHE A 31 3.421 -11.946 3.692 1.00 0.00 C ATOM 419 CD2 PHE A 31 2.421 -11.684 5.841 1.00 0.00 C ATOM 420 CE1 PHE A 31 3.025 -13.269 3.666 1.00 0.00 C ATOM 421 CE2 PHE A 31 2.023 -13.006 5.821 1.00 0.00 C ATOM 422 CZ PHE A 31 2.325 -13.801 4.732 1.00 0.00 C ATOM 0 H PHE A 31 3.847 -7.232 4.770 1.00 0.00 H new ATOM 0 HA PHE A 31 2.560 -9.087 3.001 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.556 -9.621 4.377 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.624 -9.367 5.839 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.968 -11.536 2.856 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.182 -11.067 6.695 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.262 -13.887 2.813 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.476 -13.418 6.656 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.015 -14.835 4.714 1.00 0.00 H new ATOM 432 N SER A 32 0.957 -7.969 5.619 1.00 0.00 N ATOM 433 CA SER A 32 -0.342 -7.929 6.281 1.00 0.00 C ATOM 434 C SER A 32 -1.365 -7.159 5.448 1.00 0.00 C ATOM 435 O SER A 32 -2.569 -7.258 5.685 1.00 0.00 O ATOM 436 CB SER A 32 -0.212 -7.291 7.665 1.00 0.00 C ATOM 437 OG SER A 32 -1.485 -7.013 8.222 1.00 0.00 O ATOM 0 H SER A 32 1.630 -7.288 5.970 1.00 0.00 H new ATOM 0 HA SER A 32 -0.693 -8.955 6.389 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.339 -7.960 8.326 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.365 -6.369 7.591 1.00 0.00 H new ATOM 0 HG SER A 32 -2.164 -7.040 7.516 1.00 0.00 H new ATOM 443 N GLU A 33 -0.884 -6.390 4.475 1.00 0.00 N ATOM 444 CA GLU A 33 -1.765 -5.606 3.616 1.00 0.00 C ATOM 445 C GLU A 33 -1.934 -6.271 2.253 1.00 0.00 C ATOM 446 O GLU A 33 -2.979 -6.143 1.616 1.00 0.00 O ATOM 447 CB GLU A 33 -1.211 -4.191 3.440 1.00 0.00 C ATOM 448 CG GLU A 33 -2.224 -3.206 2.880 1.00 0.00 C ATOM 449 CD GLU A 33 -1.580 -2.123 2.037 1.00 0.00 C ATOM 450 OE1 GLU A 33 -0.790 -2.467 1.133 1.00 0.00 O ATOM 451 OE2 GLU A 33 -1.864 -0.933 2.282 1.00 0.00 O ATOM 0 H GLU A 33 0.109 -6.293 4.262 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.742 -5.551 4.095 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.857 -3.826 4.404 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.347 -4.228 2.776 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.954 -3.745 2.276 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.770 -2.744 3.703 1.00 0.00 H new ATOM 458 N GLU A 34 -0.898 -6.976 1.811 1.00 0.00 N ATOM 459 CA GLU A 34 -0.932 -7.657 0.521 1.00 0.00 C ATOM 460 C GLU A 34 -1.599 -9.024 0.640 1.00 0.00 C ATOM 461 O GLU A 34 -2.225 -9.504 -0.305 1.00 0.00 O ATOM 462 CB GLU A 34 0.485 -7.815 -0.032 1.00 0.00 C ATOM 463 CG GLU A 34 0.531 -8.014 -1.540 1.00 0.00 C ATOM 464 CD GLU A 34 1.507 -7.077 -2.224 1.00 0.00 C ATOM 465 OE1 GLU A 34 2.707 -7.417 -2.292 1.00 0.00 O ATOM 466 OE2 GLU A 34 1.071 -6.003 -2.691 1.00 0.00 O ATOM 0 H GLU A 34 -0.025 -7.091 2.326 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.519 -7.047 -0.166 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.068 -6.931 0.228 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.963 -8.666 0.453 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.810 -9.045 -1.758 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.466 -7.859 -1.953 1.00 0.00 H new ATOM 473 N LYS A 35 -1.460 -9.648 1.805 1.00 0.00 N ATOM 474 CA LYS A 35 -2.048 -10.962 2.044 1.00 0.00 C ATOM 475 C LYS A 35 -3.480 -10.844 2.561 1.00 0.00 C ATOM 476 O LYS A 35 -4.258 -11.794 2.480 1.00 0.00 O ATOM 477 CB LYS A 35 -1.199 -11.750 3.041 1.00 0.00 C ATOM 478 CG LYS A 35 0.237 -11.955 2.587 1.00 0.00 C ATOM 479 CD LYS A 35 0.383 -13.219 1.754 1.00 0.00 C ATOM 480 CE LYS A 35 1.302 -12.998 0.563 1.00 0.00 C ATOM 481 NZ LYS A 35 0.539 -12.721 -0.685 1.00 0.00 N ATOM 0 H LYS A 35 -0.946 -9.266 2.598 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.072 -11.494 1.093 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.198 -11.228 3.998 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.661 -12.723 3.210 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.562 -11.094 2.003 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.890 -12.014 3.458 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.778 -14.022 2.376 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.598 -13.540 1.403 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.972 -12.164 0.771 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.927 -13.880 0.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.203 -12.576 -1.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.082 -13.528 -0.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.038 -11.865 -0.557 1.00 0.00 H new ATOM 495 N ARG A 36 -3.824 -9.674 3.095 1.00 0.00 N ATOM 496 CA ARG A 36 -5.165 -9.439 3.625 1.00 0.00 C ATOM 497 C ARG A 36 -6.231 -9.742 2.577 1.00 0.00 C ATOM 498 O ARG A 36 -7.097 -10.592 2.786 1.00 0.00 O ATOM 499 CB ARG A 36 -5.300 -7.993 4.103 1.00 0.00 C ATOM 500 CG ARG A 36 -6.669 -7.668 4.679 1.00 0.00 C ATOM 501 CD ARG A 36 -6.826 -6.178 4.937 1.00 0.00 C ATOM 502 NE ARG A 36 -6.768 -5.401 3.701 1.00 0.00 N ATOM 503 CZ ARG A 36 -7.167 -4.135 3.604 1.00 0.00 C ATOM 504 NH1 ARG A 36 -7.652 -3.500 4.663 1.00 0.00 N ATOM 505 NH2 ARG A 36 -7.082 -3.500 2.441 1.00 0.00 N ATOM 0 H ARG A 36 -3.194 -8.875 3.172 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.315 -10.111 4.470 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.541 -7.797 4.860 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.098 -7.323 3.268 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.444 -8.002 3.989 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.813 -8.217 5.610 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.777 -5.995 5.437 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.040 -5.842 5.614 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.401 -5.855 2.865 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.721 -3.982 5.559 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.956 -2.530 4.581 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.711 -3.982 1.622 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.388 -2.530 2.366 1.00 0.00 H new ATOM 519 N ARG A 37 -6.163 -9.041 1.450 1.00 0.00 N ATOM 520 CA ARG A 37 -7.124 -9.236 0.370 1.00 0.00 C ATOM 521 C ARG A 37 -7.120 -10.683 -0.113 1.00 0.00 C ATOM 522 O ARG A 37 -8.131 -11.187 -0.601 1.00 0.00 O ATOM 523 CB ARG A 37 -6.810 -8.296 -0.796 1.00 0.00 C ATOM 524 CG ARG A 37 -8.046 -7.808 -1.534 1.00 0.00 C ATOM 525 CD ARG A 37 -7.688 -7.185 -2.874 1.00 0.00 C ATOM 526 NE ARG A 37 -7.804 -5.729 -2.849 1.00 0.00 N ATOM 527 CZ ARG A 37 -7.275 -4.926 -3.770 1.00 0.00 C ATOM 528 NH1 ARG A 37 -6.592 -5.433 -4.789 1.00 0.00 N ATOM 529 NH2 ARG A 37 -7.430 -3.613 -3.673 1.00 0.00 N ATOM 0 H ARG A 37 -5.453 -8.333 1.261 1.00 0.00 H new ATOM 0 HA ARG A 37 -8.117 -9.006 0.757 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -6.258 -7.435 -0.419 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -6.156 -8.810 -1.500 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.730 -8.642 -1.691 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -8.572 -7.076 -0.921 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.669 -7.463 -3.142 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -8.342 -7.588 -3.647 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.321 -5.302 -2.080 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.470 -6.443 -4.869 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -6.189 -4.813 -5.492 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -7.955 -3.218 -2.893 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -7.025 -2.998 -4.379 1.00 0.00 H new ATOM 543 N GLN A 38 -5.977 -11.347 0.026 1.00 0.00 N ATOM 544 CA GLN A 38 -5.844 -12.736 -0.396 1.00 0.00 C ATOM 545 C GLN A 38 -6.604 -13.666 0.543 1.00 0.00 C ATOM 546 O GLN A 38 -7.128 -14.697 0.123 1.00 0.00 O ATOM 547 CB GLN A 38 -4.369 -13.137 -0.445 1.00 0.00 C ATOM 548 CG GLN A 38 -3.659 -12.693 -1.713 1.00 0.00 C ATOM 549 CD GLN A 38 -3.942 -13.606 -2.890 1.00 0.00 C ATOM 550 OE1 GLN A 38 -4.377 -13.155 -3.950 1.00 0.00 O ATOM 551 NE2 GLN A 38 -3.698 -14.899 -2.708 1.00 0.00 N ATOM 0 H GLN A 38 -5.130 -10.945 0.428 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.272 -12.828 -1.394 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.856 -12.710 0.417 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.293 -14.221 -0.356 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.969 -11.678 -1.962 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.585 -12.662 -1.532 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.338 -15.229 -1.813 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.871 -15.562 -3.464 1.00 0.00 H new ATOM 560 N LEU A 39 -6.661 -13.293 1.818 1.00 0.00 N ATOM 561 CA LEU A 39 -7.358 -14.094 2.818 1.00 0.00 C ATOM 562 C LEU A 39 -8.850 -13.778 2.824 1.00 0.00 C ATOM 563 O LEU A 39 -9.677 -14.642 3.115 1.00 0.00 O ATOM 564 CB LEU A 39 -6.766 -13.842 4.206 1.00 0.00 C ATOM 565 CG LEU A 39 -5.494 -14.630 4.520 1.00 0.00 C ATOM 566 CD1 LEU A 39 -5.030 -14.351 5.942 1.00 0.00 C ATOM 567 CD2 LEU A 39 -5.726 -16.120 4.316 1.00 0.00 C ATOM 0 H LEU A 39 -6.233 -12.442 2.183 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.229 -15.145 2.561 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.550 -12.778 4.304 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.520 -14.085 4.955 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.711 -14.307 3.834 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.124 -14.921 6.147 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.823 -13.287 6.055 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.810 -14.646 6.644 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.810 -16.665 4.544 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.524 -16.458 4.977 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.010 -16.305 3.280 1.00 0.00 H new ATOM 579 N GLN A 40 -9.187 -12.533 2.502 1.00 0.00 N ATOM 580 CA GLN A 40 -10.580 -12.101 2.471 1.00 0.00 C ATOM 581 C GLN A 40 -11.380 -12.917 1.459 1.00 0.00 C ATOM 582 O GLN A 40 -12.454 -13.431 1.772 1.00 0.00 O ATOM 583 CB GLN A 40 -10.666 -10.611 2.131 1.00 0.00 C ATOM 584 CG GLN A 40 -11.500 -9.810 3.117 1.00 0.00 C ATOM 585 CD GLN A 40 -11.016 -8.381 3.264 1.00 0.00 C ATOM 586 OE1 GLN A 40 -9.731 -8.218 3.555 1.00 0.00 O flip ATOM 587 NE2 GLN A 40 -11.788 -7.434 3.117 1.00 0.00 N flip ATOM 0 H GLN A 40 -8.515 -11.806 2.259 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.009 -12.264 3.460 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -9.659 -10.196 2.098 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.090 -10.498 1.133 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.539 -9.806 2.789 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.475 -10.300 4.090 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -12.768 -7.605 2.894 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -11.447 -6.478 3.218 1.00 0.00 H new ATOM 596 N GLU A 41 -10.849 -13.030 0.246 1.00 0.00 N ATOM 597 CA GLU A 41 -11.513 -13.783 -0.811 1.00 0.00 C ATOM 598 C GLU A 41 -11.658 -15.251 -0.426 1.00 0.00 C ATOM 599 O GLU A 41 -12.738 -15.831 -0.542 1.00 0.00 O ATOM 600 CB GLU A 41 -10.731 -13.661 -2.121 1.00 0.00 C ATOM 601 CG GLU A 41 -10.446 -12.225 -2.528 1.00 0.00 C ATOM 602 CD GLU A 41 -11.308 -11.764 -3.688 1.00 0.00 C ATOM 603 OE1 GLU A 41 -12.549 -11.769 -3.543 1.00 0.00 O ATOM 604 OE2 GLU A 41 -10.742 -11.398 -4.739 1.00 0.00 O ATOM 0 H GLU A 41 -9.961 -12.610 -0.029 1.00 0.00 H new ATOM 0 HA GLU A 41 -12.509 -13.364 -0.950 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.786 -14.196 -2.022 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.293 -14.151 -2.917 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.613 -11.569 -1.673 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.395 -12.131 -2.802 1.00 0.00 H new ATOM 611 N GLU A 42 -10.562 -15.848 0.034 1.00 0.00 N ATOM 612 CA GLU A 42 -10.568 -17.248 0.438 1.00 0.00 C ATOM 613 C GLU A 42 -11.425 -17.452 1.683 1.00 0.00 C ATOM 614 O GLU A 42 -12.035 -18.506 1.864 1.00 0.00 O ATOM 615 CB GLU A 42 -9.140 -17.730 0.703 1.00 0.00 C ATOM 616 CG GLU A 42 -8.336 -17.976 -0.564 1.00 0.00 C ATOM 617 CD GLU A 42 -6.903 -18.378 -0.276 1.00 0.00 C ATOM 618 OE1 GLU A 42 -6.335 -17.879 0.719 1.00 0.00 O ATOM 619 OE2 GLU A 42 -6.349 -19.192 -1.044 1.00 0.00 O ATOM 0 H GLU A 42 -9.660 -15.383 0.136 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.997 -17.833 -0.376 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.623 -16.990 1.314 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.178 -18.652 1.284 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.818 -18.759 -1.150 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.341 -17.073 -1.174 1.00 0.00 H new ATOM 626 N ARG A 43 -11.467 -16.435 2.538 1.00 0.00 N ATOM 627 CA ARG A 43 -12.249 -16.500 3.767 1.00 0.00 C ATOM 628 C ARG A 43 -13.221 -15.326 3.855 1.00 0.00 C ATOM 629 O ARG A 43 -12.954 -14.339 4.540 1.00 0.00 O ATOM 630 CB ARG A 43 -11.325 -16.505 4.985 1.00 0.00 C ATOM 631 CG ARG A 43 -10.203 -17.528 4.895 1.00 0.00 C ATOM 632 CD ARG A 43 -10.444 -18.706 5.826 1.00 0.00 C ATOM 633 NE ARG A 43 -9.677 -19.884 5.428 1.00 0.00 N ATOM 634 CZ ARG A 43 -10.040 -20.708 4.447 1.00 0.00 C ATOM 635 NH1 ARG A 43 -11.155 -20.486 3.762 1.00 0.00 N ATOM 636 NH2 ARG A 43 -9.286 -21.757 4.151 1.00 0.00 N ATOM 0 H ARG A 43 -10.968 -15.556 2.402 1.00 0.00 H new ATOM 0 HA ARG A 43 -12.825 -17.425 3.754 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -10.891 -15.512 5.105 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -11.917 -16.705 5.878 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -10.118 -17.886 3.869 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -9.255 -17.052 5.147 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -10.174 -18.425 6.844 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.506 -18.951 5.834 1.00 0.00 H new ATOM 0 HE ARG A 43 -8.813 -20.087 5.931 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -11.739 -19.680 3.986 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -11.428 -21.121 3.012 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.428 -21.933 4.675 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -9.563 -22.389 3.400 1.00 0.00 H new ATOM 650 N PRO A 44 -14.368 -15.419 3.161 1.00 0.00 N ATOM 651 CA PRO A 44 -15.383 -14.359 3.165 1.00 0.00 C ATOM 652 C PRO A 44 -16.028 -14.178 4.536 1.00 0.00 C ATOM 653 O PRO A 44 -16.550 -13.109 4.851 1.00 0.00 O ATOM 654 CB PRO A 44 -16.418 -14.847 2.146 1.00 0.00 C ATOM 655 CG PRO A 44 -16.232 -16.323 2.088 1.00 0.00 C ATOM 656 CD PRO A 44 -14.767 -16.563 2.320 1.00 0.00 C ATOM 0 HA PRO A 44 -14.954 -13.387 2.922 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -17.430 -14.588 2.456 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -16.257 -14.390 1.170 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -16.835 -16.823 2.847 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -16.544 -16.718 1.121 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.589 -17.514 2.823 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -14.210 -16.588 1.384 1.00 0.00 H new ATOM 664 N GLU A 45 -15.988 -15.230 5.349 1.00 0.00 N ATOM 665 CA GLU A 45 -16.569 -15.184 6.686 1.00 0.00 C ATOM 666 C GLU A 45 -15.718 -14.328 7.618 1.00 0.00 C ATOM 667 O GLU A 45 -16.232 -13.703 8.545 1.00 0.00 O ATOM 668 CB GLU A 45 -16.704 -16.598 7.254 1.00 0.00 C ATOM 669 CG GLU A 45 -17.332 -16.639 8.638 1.00 0.00 C ATOM 670 CD GLU A 45 -18.812 -16.313 8.616 1.00 0.00 C ATOM 671 OE1 GLU A 45 -19.489 -16.688 7.636 1.00 0.00 O ATOM 672 OE2 GLU A 45 -19.296 -15.684 9.581 1.00 0.00 O ATOM 0 H GLU A 45 -15.560 -16.123 5.105 1.00 0.00 H new ATOM 0 HA GLU A 45 -17.559 -14.734 6.611 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.306 -17.199 6.573 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.717 -17.059 7.298 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.188 -17.630 9.069 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.817 -15.931 9.288 1.00 0.00 H new ATOM 679 N LEU A 46 -14.413 -14.305 7.365 1.00 0.00 N ATOM 680 CA LEU A 46 -13.489 -13.526 8.181 1.00 0.00 C ATOM 681 C LEU A 46 -13.351 -12.106 7.642 1.00 0.00 C ATOM 682 O LEU A 46 -13.252 -11.897 6.432 1.00 0.00 O ATOM 683 CB LEU A 46 -12.119 -14.204 8.223 1.00 0.00 C ATOM 684 CG LEU A 46 -12.004 -15.374 9.201 1.00 0.00 C ATOM 685 CD1 LEU A 46 -11.058 -16.434 8.658 1.00 0.00 C ATOM 686 CD2 LEU A 46 -11.534 -14.884 10.563 1.00 0.00 C ATOM 0 H LEU A 46 -13.972 -14.817 6.601 1.00 0.00 H new ATOM 0 HA LEU A 46 -13.892 -13.473 9.192 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.877 -14.562 7.222 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.369 -13.457 8.484 1.00 0.00 H new ATOM 0 HG LEU A 46 -12.990 -15.824 9.318 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.989 -17.258 9.368 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.436 -16.806 7.706 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.070 -15.999 8.511 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.457 -15.729 11.247 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.558 -14.409 10.462 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -12.249 -14.162 10.957 1.00 0.00 H new ATOM 698 N SER A 47 -13.346 -11.132 8.547 1.00 0.00 N ATOM 699 CA SER A 47 -13.219 -9.732 8.161 1.00 0.00 C ATOM 700 C SER A 47 -11.777 -9.257 8.305 1.00 0.00 C ATOM 701 O SER A 47 -10.932 -9.964 8.855 1.00 0.00 O ATOM 702 CB SER A 47 -14.144 -8.860 9.015 1.00 0.00 C ATOM 703 OG SER A 47 -14.797 -7.883 8.223 1.00 0.00 O ATOM 0 H SER A 47 -13.428 -11.287 9.552 1.00 0.00 H new ATOM 0 HA SER A 47 -13.509 -9.641 7.114 1.00 0.00 H new ATOM 0 HB2 SER A 47 -14.886 -9.487 9.510 1.00 0.00 H new ATOM 0 HB3 SER A 47 -13.566 -8.371 9.799 1.00 0.00 H new ATOM 0 HG SER A 47 -15.383 -7.340 8.791 1.00 0.00 H new ATOM 709 N GLU A 48 -11.500 -8.055 7.806 1.00 0.00 N ATOM 710 CA GLU A 48 -10.159 -7.485 7.879 1.00 0.00 C ATOM 711 C GLU A 48 -9.669 -7.418 9.322 1.00 0.00 C ATOM 712 O GLU A 48 -8.470 -7.510 9.586 1.00 0.00 O ATOM 713 CB GLU A 48 -10.140 -6.087 7.258 1.00 0.00 C ATOM 714 CG GLU A 48 -10.606 -6.057 5.811 1.00 0.00 C ATOM 715 CD GLU A 48 -11.978 -5.430 5.654 1.00 0.00 C ATOM 716 OE1 GLU A 48 -12.879 -5.763 6.452 1.00 0.00 O ATOM 717 OE2 GLU A 48 -12.151 -4.605 4.731 1.00 0.00 O ATOM 0 H GLU A 48 -12.187 -7.457 7.347 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.488 -8.135 7.317 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.775 -5.427 7.849 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.127 -5.688 7.313 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -9.885 -5.500 5.212 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.628 -7.074 5.419 1.00 0.00 H new ATOM 724 N SER A 49 -10.604 -7.259 10.253 1.00 0.00 N ATOM 725 CA SER A 49 -10.266 -7.179 11.669 1.00 0.00 C ATOM 726 C SER A 49 -9.750 -8.520 12.181 1.00 0.00 C ATOM 727 O SER A 49 -8.884 -8.571 13.054 1.00 0.00 O ATOM 728 CB SER A 49 -11.487 -6.746 12.482 1.00 0.00 C ATOM 729 OG SER A 49 -12.331 -5.897 11.723 1.00 0.00 O ATOM 0 H SER A 49 -11.601 -7.183 10.052 1.00 0.00 H new ATOM 0 HA SER A 49 -9.477 -6.437 11.788 1.00 0.00 H new ATOM 0 HB2 SER A 49 -12.045 -7.626 12.803 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.162 -6.228 13.384 1.00 0.00 H new ATOM 0 HG SER A 49 -13.105 -5.636 12.265 1.00 0.00 H new ATOM 735 N GLU A 50 -10.288 -9.604 11.631 1.00 0.00 N ATOM 736 CA GLU A 50 -9.881 -10.946 12.032 1.00 0.00 C ATOM 737 C GLU A 50 -8.664 -11.406 11.238 1.00 0.00 C ATOM 738 O GLU A 50 -7.828 -12.156 11.741 1.00 0.00 O ATOM 739 CB GLU A 50 -11.035 -11.931 11.836 1.00 0.00 C ATOM 740 CG GLU A 50 -12.290 -11.560 12.610 1.00 0.00 C ATOM 741 CD GLU A 50 -12.276 -12.091 14.030 1.00 0.00 C ATOM 742 OE1 GLU A 50 -11.686 -13.168 14.256 1.00 0.00 O ATOM 743 OE2 GLU A 50 -12.855 -11.429 14.917 1.00 0.00 O ATOM 0 H GLU A 50 -11.006 -9.579 10.907 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.613 -10.917 13.088 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.276 -11.988 10.775 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.709 -12.925 12.143 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.391 -10.475 12.633 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -13.163 -11.951 12.088 1.00 0.00 H new ATOM 750 N LEU A 51 -8.570 -10.952 9.992 1.00 0.00 N ATOM 751 CA LEU A 51 -7.455 -11.317 9.126 1.00 0.00 C ATOM 752 C LEU A 51 -6.127 -10.873 9.732 1.00 0.00 C ATOM 753 O LEU A 51 -5.093 -11.503 9.515 1.00 0.00 O ATOM 754 CB LEU A 51 -7.630 -10.693 7.740 1.00 0.00 C ATOM 755 CG LEU A 51 -8.754 -11.295 6.896 1.00 0.00 C ATOM 756 CD1 LEU A 51 -8.784 -10.658 5.515 1.00 0.00 C ATOM 757 CD2 LEU A 51 -8.587 -12.802 6.785 1.00 0.00 C ATOM 0 H LEU A 51 -9.253 -10.330 9.560 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.445 -12.403 9.029 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.818 -9.626 7.860 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.693 -10.792 7.193 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.704 -11.089 7.390 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.590 -11.099 4.928 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.951 -9.585 5.613 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.832 -10.833 5.013 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.395 -13.214 6.181 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.630 -13.028 6.314 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.615 -13.245 7.780 1.00 0.00 H new ATOM 769 N THR A 52 -6.164 -9.783 10.493 1.00 0.00 N ATOM 770 CA THR A 52 -4.964 -9.254 11.130 1.00 0.00 C ATOM 771 C THR A 52 -4.336 -10.291 12.057 1.00 0.00 C ATOM 772 O THR A 52 -3.113 -10.384 12.164 1.00 0.00 O ATOM 773 CB THR A 52 -5.296 -7.986 11.918 1.00 0.00 C ATOM 774 OG1 THR A 52 -6.221 -7.182 11.207 1.00 0.00 O ATOM 775 CG2 THR A 52 -4.082 -7.132 12.218 1.00 0.00 C ATOM 0 H THR A 52 -7.012 -9.249 10.683 1.00 0.00 H new ATOM 0 HA THR A 52 -4.246 -9.010 10.347 1.00 0.00 H new ATOM 0 HB THR A 52 -5.717 -8.334 12.861 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.422 -6.377 11.728 1.00 0.00 H new ATOM 0 HG21 THR A 52 -4.388 -6.249 12.779 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.369 -7.708 12.808 1.00 0.00 H new ATOM 0 HG23 THR A 52 -3.614 -6.824 11.283 1.00 0.00 H new ATOM 783 N ARG A 53 -5.182 -11.069 12.724 1.00 0.00 N ATOM 784 CA ARG A 53 -4.709 -12.101 13.641 1.00 0.00 C ATOM 785 C ARG A 53 -4.120 -13.281 12.876 1.00 0.00 C ATOM 786 O ARG A 53 -3.105 -13.851 13.278 1.00 0.00 O ATOM 787 CB ARG A 53 -5.853 -12.579 14.537 1.00 0.00 C ATOM 788 CG ARG A 53 -6.602 -11.448 15.224 1.00 0.00 C ATOM 789 CD ARG A 53 -5.695 -10.663 16.158 1.00 0.00 C ATOM 790 NE ARG A 53 -5.825 -9.221 15.963 1.00 0.00 N ATOM 791 CZ ARG A 53 -6.825 -8.493 16.456 1.00 0.00 C ATOM 792 NH1 ARG A 53 -7.781 -9.068 17.173 1.00 0.00 N ATOM 793 NH2 ARG A 53 -6.867 -7.187 16.231 1.00 0.00 N ATOM 0 H ARG A 53 -6.197 -11.005 12.647 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.926 -11.668 14.263 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.556 -13.157 13.937 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.453 -13.252 15.295 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.019 -10.778 14.472 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.441 -11.856 15.788 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.936 -10.912 17.191 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.659 -10.959 15.992 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.108 -8.744 15.417 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.752 -10.072 17.349 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -8.545 -8.506 17.548 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.134 -6.740 15.680 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.633 -6.629 16.608 1.00 0.00 H new ATOM 807 N LEU A 54 -4.762 -13.642 11.770 1.00 0.00 N ATOM 808 CA LEU A 54 -4.301 -14.754 10.947 1.00 0.00 C ATOM 809 C LEU A 54 -3.076 -14.356 10.131 1.00 0.00 C ATOM 810 O LEU A 54 -2.217 -15.187 9.838 1.00 0.00 O ATOM 811 CB LEU A 54 -5.419 -15.225 10.015 1.00 0.00 C ATOM 812 CG LEU A 54 -5.215 -16.613 9.406 1.00 0.00 C ATOM 813 CD1 LEU A 54 -5.290 -17.684 10.483 1.00 0.00 C ATOM 814 CD2 LEU A 54 -6.248 -16.874 8.319 1.00 0.00 C ATOM 0 H LEU A 54 -5.603 -13.181 11.423 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.022 -15.573 11.610 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.358 -15.223 10.569 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.525 -14.502 9.206 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.224 -16.650 8.955 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.143 -18.665 10.031 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.513 -17.507 11.227 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.268 -17.649 10.964 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.089 -17.866 7.896 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.249 -16.819 8.747 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.147 -16.125 7.534 1.00 0.00 H new ATOM 826 N LEU A 55 -3.003 -13.080 9.767 1.00 0.00 N ATOM 827 CA LEU A 55 -1.883 -12.572 8.985 1.00 0.00 C ATOM 828 C LEU A 55 -0.604 -12.554 9.816 1.00 0.00 C ATOM 829 O LEU A 55 0.475 -12.882 9.320 1.00 0.00 O ATOM 830 CB LEU A 55 -2.190 -11.164 8.470 1.00 0.00 C ATOM 831 CG LEU A 55 -3.244 -11.096 7.363 1.00 0.00 C ATOM 832 CD1 LEU A 55 -3.896 -9.723 7.331 1.00 0.00 C ATOM 833 CD2 LEU A 55 -2.620 -11.424 6.014 1.00 0.00 C ATOM 0 H LEU A 55 -3.706 -12.379 10.001 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.734 -13.238 8.135 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.525 -10.552 9.308 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.266 -10.720 8.099 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.015 -11.837 7.575 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.643 -9.693 6.538 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.377 -9.526 8.289 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.137 -8.964 7.143 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.383 -11.371 5.238 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.829 -10.707 5.795 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.200 -12.429 6.042 1.00 0.00 H new ATOM 845 N ALA A 56 -0.731 -12.169 11.081 1.00 0.00 N ATOM 846 CA ALA A 56 0.414 -12.109 11.981 1.00 0.00 C ATOM 847 C ALA A 56 1.064 -13.480 12.134 1.00 0.00 C ATOM 848 O ALA A 56 2.275 -13.585 12.327 1.00 0.00 O ATOM 849 CB ALA A 56 -0.010 -11.568 13.339 1.00 0.00 C ATOM 0 H ALA A 56 -1.616 -11.894 11.506 1.00 0.00 H new ATOM 0 HA ALA A 56 1.151 -11.433 11.547 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.855 -11.529 14.001 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.421 -10.566 13.219 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.768 -12.222 13.771 1.00 0.00 H new ATOM 855 N ARG A 57 0.251 -14.527 12.049 1.00 0.00 N ATOM 856 CA ARG A 57 0.747 -15.892 12.178 1.00 0.00 C ATOM 857 C ARG A 57 1.477 -16.328 10.912 1.00 0.00 C ATOM 858 O ARG A 57 2.510 -16.994 10.977 1.00 0.00 O ATOM 859 CB ARG A 57 -0.408 -16.852 12.471 1.00 0.00 C ATOM 860 CG ARG A 57 -0.021 -18.009 13.376 1.00 0.00 C ATOM 861 CD ARG A 57 -1.222 -18.879 13.713 1.00 0.00 C ATOM 862 NE ARG A 57 -0.880 -20.300 13.737 1.00 0.00 N ATOM 863 CZ ARG A 57 -1.780 -21.280 13.723 1.00 0.00 C ATOM 864 NH1 ARG A 57 -3.077 -20.999 13.686 1.00 0.00 N ATOM 865 NH2 ARG A 57 -1.383 -22.545 13.746 1.00 0.00 N ATOM 0 H ARG A 57 -0.754 -14.457 11.891 1.00 0.00 H new ATOM 0 HA ARG A 57 1.452 -15.918 13.009 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.223 -16.296 12.934 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.787 -17.249 11.529 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.743 -18.614 12.888 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.419 -17.622 14.295 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.621 -18.586 14.684 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -2.010 -18.708 12.980 1.00 0.00 H new ATOM 0 HE ARG A 57 0.107 -20.555 13.766 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -3.388 -20.028 13.668 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.762 -21.754 13.675 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -0.388 -22.767 13.774 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -2.073 -23.296 13.735 1.00 0.00 H new ATOM 879 N MET A 58 0.932 -15.946 9.761 1.00 0.00 N ATOM 880 CA MET A 58 1.533 -16.297 8.479 1.00 0.00 C ATOM 881 C MET A 58 2.926 -15.692 8.346 1.00 0.00 C ATOM 882 O MET A 58 3.821 -16.292 7.750 1.00 0.00 O ATOM 883 CB MET A 58 0.644 -15.818 7.329 1.00 0.00 C ATOM 884 CG MET A 58 -0.564 -16.707 7.083 1.00 0.00 C ATOM 885 SD MET A 58 -1.046 -16.758 5.346 1.00 0.00 S ATOM 886 CE MET A 58 -1.253 -15.012 5.002 1.00 0.00 C ATOM 0 H MET A 58 0.077 -15.394 9.690 1.00 0.00 H new ATOM 0 HA MET A 58 1.623 -17.382 8.433 1.00 0.00 H new ATOM 0 HB2 MET A 58 0.302 -14.805 7.543 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.239 -15.768 6.417 1.00 0.00 H new ATOM 0 HG2 MET A 58 -0.342 -17.718 7.424 1.00 0.00 H new ATOM 0 HG3 MET A 58 -1.403 -16.347 7.678 1.00 0.00 H new ATOM 0 HE1 MET A 58 -2.184 -14.856 4.457 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.285 -14.458 5.940 1.00 0.00 H new ATOM 0 HE3 MET A 58 -0.416 -14.658 4.399 1.00 0.00 H new ATOM 896 N TRP A 59 3.104 -14.499 8.906 1.00 0.00 N ATOM 897 CA TRP A 59 4.389 -13.813 8.850 1.00 0.00 C ATOM 898 C TRP A 59 5.475 -14.630 9.544 1.00 0.00 C ATOM 899 O TRP A 59 6.604 -14.718 9.061 1.00 0.00 O ATOM 900 CB TRP A 59 4.283 -12.431 9.498 1.00 0.00 C ATOM 901 CG TRP A 59 5.544 -11.629 9.398 1.00 0.00 C ATOM 902 CD1 TRP A 59 6.339 -11.219 10.429 1.00 0.00 C ATOM 903 CD2 TRP A 59 6.156 -11.138 8.199 1.00 0.00 C ATOM 904 NE1 TRP A 59 7.408 -10.503 9.946 1.00 0.00 N ATOM 905 CE2 TRP A 59 7.318 -10.440 8.580 1.00 0.00 C ATOM 906 CE3 TRP A 59 5.835 -11.222 6.841 1.00 0.00 C ATOM 907 CZ2 TRP A 59 8.158 -9.830 7.652 1.00 0.00 C ATOM 908 CZ3 TRP A 59 6.669 -10.615 5.922 1.00 0.00 C ATOM 909 CH2 TRP A 59 7.819 -9.929 6.329 1.00 0.00 C ATOM 0 H TRP A 59 2.374 -13.988 9.403 1.00 0.00 H new ATOM 0 HA TRP A 59 4.662 -13.695 7.801 1.00 0.00 H new ATOM 0 HB2 TRP A 59 3.471 -11.878 9.026 1.00 0.00 H new ATOM 0 HB3 TRP A 59 4.019 -12.550 10.549 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.155 -11.427 11.473 1.00 0.00 H new ATOM 0 HE1 TRP A 59 8.148 -10.087 10.512 1.00 0.00 H new ATOM 0 HE3 TRP A 59 4.951 -11.752 6.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 9.045 -9.298 7.964 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 6.429 -10.671 4.870 1.00 0.00 H new ATOM 0 HH2 TRP A 59 8.452 -9.468 5.585 1.00 0.00 H new ATOM 920 N ASN A 60 5.124 -15.226 10.679 1.00 0.00 N ATOM 921 CA ASN A 60 6.069 -16.035 11.440 1.00 0.00 C ATOM 922 C ASN A 60 6.376 -17.341 10.714 1.00 0.00 C ATOM 923 O ASN A 60 7.474 -17.884 10.829 1.00 0.00 O ATOM 924 CB ASN A 60 5.512 -16.331 12.833 1.00 0.00 C ATOM 925 CG ASN A 60 5.173 -15.067 13.600 1.00 0.00 C ATOM 926 OD1 ASN A 60 5.881 -14.064 13.511 1.00 0.00 O ATOM 927 ND2 ASN A 60 4.086 -15.110 14.360 1.00 0.00 N ATOM 0 H ASN A 60 4.193 -15.164 11.092 1.00 0.00 H new ATOM 0 HA ASN A 60 6.996 -15.470 11.539 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.618 -16.948 12.740 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.242 -16.911 13.398 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.808 -14.290 14.900 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.528 -15.963 14.404 1.00 0.00 H new ATOM 934 N ASP A 61 5.397 -17.841 9.967 1.00 0.00 N ATOM 935 CA ASP A 61 5.563 -19.084 9.222 1.00 0.00 C ATOM 936 C ASP A 61 6.538 -18.898 8.062 1.00 0.00 C ATOM 937 O ASP A 61 7.226 -19.837 7.661 1.00 0.00 O ATOM 938 CB ASP A 61 4.210 -19.572 8.697 1.00 0.00 C ATOM 939 CG ASP A 61 3.703 -20.787 9.450 1.00 0.00 C ATOM 940 OD1 ASP A 61 3.817 -20.805 10.693 1.00 0.00 O ATOM 941 OD2 ASP A 61 3.192 -21.720 8.796 1.00 0.00 O ATOM 0 H ASP A 61 4.481 -17.405 9.861 1.00 0.00 H new ATOM 0 HA ASP A 61 5.973 -19.833 9.899 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.480 -18.767 8.778 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.300 -19.815 7.638 1.00 0.00 H new ATOM 946 N LEU A 62 6.591 -17.682 7.528 1.00 0.00 N ATOM 947 CA LEU A 62 7.483 -17.375 6.415 1.00 0.00 C ATOM 948 C LEU A 62 8.935 -17.655 6.786 1.00 0.00 C ATOM 949 O LEU A 62 9.231 -18.067 7.908 1.00 0.00 O ATOM 950 CB LEU A 62 7.323 -15.912 5.996 1.00 0.00 C ATOM 951 CG LEU A 62 6.010 -15.579 5.286 1.00 0.00 C ATOM 952 CD1 LEU A 62 5.861 -14.074 5.118 1.00 0.00 C ATOM 953 CD2 LEU A 62 5.940 -16.279 3.937 1.00 0.00 C ATOM 0 H LEU A 62 6.028 -16.894 7.847 1.00 0.00 H new ATOM 0 HA LEU A 62 7.213 -18.018 5.577 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.407 -15.285 6.884 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.151 -15.646 5.339 1.00 0.00 H new ATOM 0 HG LEU A 62 5.185 -15.938 5.901 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.921 -13.856 4.611 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.864 -13.596 6.098 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.691 -13.690 4.525 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.999 -16.030 3.446 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.772 -15.951 3.313 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.999 -17.358 4.083 1.00 0.00 H new ATOM 965 N SER A 63 9.838 -17.427 5.837 1.00 0.00 N ATOM 966 CA SER A 63 11.260 -17.654 6.063 1.00 0.00 C ATOM 967 C SER A 63 12.067 -16.396 5.760 1.00 0.00 C ATOM 968 O SER A 63 11.519 -15.387 5.316 1.00 0.00 O ATOM 969 CB SER A 63 11.757 -18.814 5.198 1.00 0.00 C ATOM 970 OG SER A 63 11.359 -20.061 5.740 1.00 0.00 O ATOM 0 H SER A 63 9.609 -17.085 4.904 1.00 0.00 H new ATOM 0 HA SER A 63 11.399 -17.908 7.114 1.00 0.00 H new ATOM 0 HB2 SER A 63 11.364 -18.712 4.186 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.844 -18.777 5.123 1.00 0.00 H new ATOM 0 HG SER A 63 11.687 -20.786 5.168 1.00 0.00 H new ATOM 976 N GLU A 64 13.371 -16.462 6.004 1.00 0.00 N ATOM 977 CA GLU A 64 14.255 -15.329 5.758 1.00 0.00 C ATOM 978 C GLU A 64 14.338 -15.016 4.267 1.00 0.00 C ATOM 979 O GLU A 64 14.516 -13.864 3.873 1.00 0.00 O ATOM 980 CB GLU A 64 15.653 -15.615 6.309 1.00 0.00 C ATOM 981 CG GLU A 64 15.740 -15.514 7.824 1.00 0.00 C ATOM 982 CD GLU A 64 16.730 -16.497 8.418 1.00 0.00 C ATOM 983 OE1 GLU A 64 17.928 -16.413 8.074 1.00 0.00 O ATOM 984 OE2 GLU A 64 16.307 -17.350 9.226 1.00 0.00 O ATOM 0 H GLU A 64 13.840 -17.290 6.373 1.00 0.00 H new ATOM 0 HA GLU A 64 13.841 -14.461 6.271 1.00 0.00 H new ATOM 0 HB2 GLU A 64 15.959 -16.615 6.001 1.00 0.00 H new ATOM 0 HB3 GLU A 64 16.360 -14.915 5.865 1.00 0.00 H new ATOM 0 HG2 GLU A 64 16.030 -14.500 8.101 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.754 -15.692 8.254 1.00 0.00 H new ATOM 991 N LYS A 65 14.206 -16.050 3.442 1.00 0.00 N ATOM 992 CA LYS A 65 14.265 -15.884 1.994 1.00 0.00 C ATOM 993 C LYS A 65 13.015 -15.180 1.475 1.00 0.00 C ATOM 994 O LYS A 65 13.102 -14.267 0.653 1.00 0.00 O ATOM 995 CB LYS A 65 14.421 -17.243 1.309 1.00 0.00 C ATOM 996 CG LYS A 65 15.740 -17.933 1.615 1.00 0.00 C ATOM 997 CD LYS A 65 15.683 -19.416 1.287 1.00 0.00 C ATOM 998 CE LYS A 65 17.061 -19.968 0.964 1.00 0.00 C ATOM 999 NZ LYS A 65 17.008 -21.001 -0.108 1.00 0.00 N ATOM 0 H LYS A 65 14.058 -17.011 3.751 1.00 0.00 H new ATOM 0 HA LYS A 65 15.132 -15.266 1.760 1.00 0.00 H new ATOM 0 HB2 LYS A 65 13.601 -17.892 1.618 1.00 0.00 H new ATOM 0 HB3 LYS A 65 14.333 -17.109 0.231 1.00 0.00 H new ATOM 0 HG2 LYS A 65 16.539 -17.463 1.042 1.00 0.00 H new ATOM 0 HG3 LYS A 65 15.984 -17.802 2.669 1.00 0.00 H new ATOM 0 HD2 LYS A 65 15.261 -19.961 2.131 1.00 0.00 H new ATOM 0 HD3 LYS A 65 15.017 -19.577 0.439 1.00 0.00 H new ATOM 0 HE2 LYS A 65 17.714 -19.153 0.651 1.00 0.00 H new ATOM 0 HE3 LYS A 65 17.499 -20.400 1.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 17.968 -21.353 -0.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.405 -21.790 0.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 16.614 -20.582 -0.975 1.00 0.00 H new ATOM 1013 N LYS A 66 11.855 -15.610 1.959 1.00 0.00 N ATOM 1014 CA LYS A 66 10.588 -15.021 1.543 1.00 0.00 C ATOM 1015 C LYS A 66 10.394 -13.645 2.175 1.00 0.00 C ATOM 1016 O LYS A 66 9.919 -12.714 1.526 1.00 0.00 O ATOM 1017 CB LYS A 66 9.425 -15.942 1.919 1.00 0.00 C ATOM 1018 CG LYS A 66 8.731 -16.564 0.719 1.00 0.00 C ATOM 1019 CD LYS A 66 7.391 -17.173 1.104 1.00 0.00 C ATOM 1020 CE LYS A 66 6.858 -18.082 0.008 1.00 0.00 C ATOM 1021 NZ LYS A 66 5.527 -18.651 0.356 1.00 0.00 N ATOM 0 H LYS A 66 11.766 -16.364 2.640 1.00 0.00 H new ATOM 0 HA LYS A 66 10.609 -14.901 0.460 1.00 0.00 H new ATOM 0 HB2 LYS A 66 9.796 -16.737 2.566 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.695 -15.375 2.497 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.580 -15.805 -0.049 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.370 -17.333 0.286 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.500 -17.741 2.028 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.672 -16.378 1.301 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.780 -17.521 -0.923 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.565 -18.893 -0.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.199 -19.265 -0.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.606 -19.208 1.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.845 -17.878 0.498 1.00 0.00 H new ATOM 1035 N LYS A 67 10.764 -13.527 3.446 1.00 0.00 N ATOM 1036 CA LYS A 67 10.630 -12.265 4.166 1.00 0.00 C ATOM 1037 C LYS A 67 11.442 -11.163 3.494 1.00 0.00 C ATOM 1038 O LYS A 67 11.074 -9.989 3.544 1.00 0.00 O ATOM 1039 CB LYS A 67 11.080 -12.434 5.619 1.00 0.00 C ATOM 1040 CG LYS A 67 9.964 -12.867 6.556 1.00 0.00 C ATOM 1041 CD LYS A 67 10.385 -14.043 7.424 1.00 0.00 C ATOM 1042 CE LYS A 67 9.811 -13.933 8.827 1.00 0.00 C ATOM 1043 NZ LYS A 67 10.152 -15.118 9.661 1.00 0.00 N ATOM 0 H LYS A 67 11.158 -14.288 3.998 1.00 0.00 H new ATOM 0 HA LYS A 67 9.579 -11.976 4.149 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.882 -13.171 5.659 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.495 -11.491 5.974 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.677 -12.030 7.192 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.085 -13.141 5.973 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.051 -14.973 6.965 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.473 -14.086 7.477 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.192 -13.031 9.305 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.727 -13.830 8.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.742 -15.004 10.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 9.767 -15.977 9.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.186 -15.202 9.738 1.00 0.00 H new ATOM 1057 N ALA A 68 12.547 -11.548 2.864 1.00 0.00 N ATOM 1058 CA ALA A 68 13.410 -10.593 2.181 1.00 0.00 C ATOM 1059 C ALA A 68 12.653 -9.857 1.081 1.00 0.00 C ATOM 1060 O ALA A 68 12.957 -8.707 0.766 1.00 0.00 O ATOM 1061 CB ALA A 68 14.627 -11.300 1.604 1.00 0.00 C ATOM 0 H ALA A 68 12.866 -12.516 2.813 1.00 0.00 H new ATOM 0 HA ALA A 68 13.744 -9.856 2.912 1.00 0.00 H new ATOM 0 HB1 ALA A 68 15.263 -10.574 1.097 1.00 0.00 H new ATOM 0 HB2 ALA A 68 15.188 -11.774 2.409 1.00 0.00 H new ATOM 0 HB3 ALA A 68 14.303 -12.059 0.892 1.00 0.00 H new ATOM 1067 N LYS A 69 11.665 -10.529 0.499 1.00 0.00 N ATOM 1068 CA LYS A 69 10.864 -9.939 -0.568 1.00 0.00 C ATOM 1069 C LYS A 69 10.062 -8.748 -0.054 1.00 0.00 C ATOM 1070 O LYS A 69 9.788 -7.804 -0.798 1.00 0.00 O ATOM 1071 CB LYS A 69 9.919 -10.986 -1.161 1.00 0.00 C ATOM 1072 CG LYS A 69 10.637 -12.188 -1.754 1.00 0.00 C ATOM 1073 CD LYS A 69 10.724 -12.095 -3.270 1.00 0.00 C ATOM 1074 CE LYS A 69 11.921 -11.267 -3.710 1.00 0.00 C ATOM 1075 NZ LYS A 69 11.597 -10.395 -4.872 1.00 0.00 N ATOM 0 H LYS A 69 11.400 -11.482 0.748 1.00 0.00 H new ATOM 0 HA LYS A 69 11.543 -9.588 -1.345 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.236 -11.328 -0.384 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.311 -10.518 -1.935 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.641 -12.257 -1.335 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.112 -13.101 -1.474 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.798 -13.097 -3.693 1.00 0.00 H new ATOM 0 HD3 LYS A 69 9.809 -11.650 -3.661 1.00 0.00 H new ATOM 0 HE2 LYS A 69 12.262 -10.651 -2.878 1.00 0.00 H new ATOM 0 HE3 LYS A 69 12.744 -11.931 -3.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 12.439 -9.847 -5.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 11.296 -10.984 -5.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 10.829 -9.744 -4.614 1.00 0.00 H new ATOM 1089 N TYR A 70 9.686 -8.796 1.220 1.00 0.00 N ATOM 1090 CA TYR A 70 8.913 -7.719 1.829 1.00 0.00 C ATOM 1091 C TYR A 70 9.815 -6.780 2.623 1.00 0.00 C ATOM 1092 O TYR A 70 9.541 -5.584 2.729 1.00 0.00 O ATOM 1093 CB TYR A 70 7.830 -8.296 2.742 1.00 0.00 C ATOM 1094 CG TYR A 70 7.015 -9.395 2.099 1.00 0.00 C ATOM 1095 CD1 TYR A 70 6.024 -9.098 1.170 1.00 0.00 C ATOM 1096 CD2 TYR A 70 7.235 -10.728 2.419 1.00 0.00 C ATOM 1097 CE1 TYR A 70 5.276 -10.100 0.581 1.00 0.00 C ATOM 1098 CE2 TYR A 70 6.492 -11.735 1.834 1.00 0.00 C ATOM 1099 CZ TYR A 70 5.514 -11.416 0.915 1.00 0.00 C ATOM 1100 OH TYR A 70 4.771 -12.416 0.331 1.00 0.00 O ATOM 0 H TYR A 70 9.904 -9.568 1.850 1.00 0.00 H new ATOM 0 HA TYR A 70 8.441 -7.148 1.029 1.00 0.00 H new ATOM 0 HB2 TYR A 70 8.299 -8.685 3.646 1.00 0.00 H new ATOM 0 HB3 TYR A 70 7.161 -7.493 3.050 1.00 0.00 H new ATOM 0 HD1 TYR A 70 5.836 -8.068 0.904 1.00 0.00 H new ATOM 0 HD2 TYR A 70 8.000 -10.982 3.138 1.00 0.00 H new ATOM 0 HE1 TYR A 70 4.509 -9.853 -0.138 1.00 0.00 H new ATOM 0 HE2 TYR A 70 6.676 -12.767 2.095 1.00 0.00 H new ATOM 0 HH TYR A 70 5.065 -13.285 0.675 1.00 0.00 H new ATOM 1110 N LYS A 71 10.890 -7.327 3.179 1.00 0.00 N ATOM 1111 CA LYS A 71 11.831 -6.537 3.965 1.00 0.00 C ATOM 1112 C LYS A 71 12.439 -5.418 3.125 1.00 0.00 C ATOM 1113 O LYS A 71 12.648 -4.306 3.612 1.00 0.00 O ATOM 1114 CB LYS A 71 12.939 -7.430 4.525 1.00 0.00 C ATOM 1115 CG LYS A 71 12.615 -8.018 5.889 1.00 0.00 C ATOM 1116 CD LYS A 71 13.254 -9.385 6.071 1.00 0.00 C ATOM 1117 CE LYS A 71 13.119 -9.879 7.503 1.00 0.00 C ATOM 1118 NZ LYS A 71 14.406 -9.788 8.246 1.00 0.00 N ATOM 0 H LYS A 71 11.132 -8.315 3.100 1.00 0.00 H new ATOM 0 HA LYS A 71 11.284 -6.088 4.794 1.00 0.00 H new ATOM 0 HB2 LYS A 71 13.128 -8.243 3.824 1.00 0.00 H new ATOM 0 HB3 LYS A 71 13.859 -6.851 4.598 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.966 -7.344 6.670 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.534 -8.102 6.003 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.786 -10.099 5.393 1.00 0.00 H new ATOM 0 HD3 LYS A 71 14.309 -9.333 5.801 1.00 0.00 H new ATOM 0 HE2 LYS A 71 12.360 -9.292 8.019 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.774 -10.913 7.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.271 -10.134 9.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 15.125 -10.368 7.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.722 -8.798 8.272 1.00 0.00 H new ATOM 1132 N ALA A 72 12.723 -5.719 1.862 1.00 0.00 N ATOM 1133 CA ALA A 72 13.308 -4.738 0.957 1.00 0.00 C ATOM 1134 C ALA A 72 12.336 -3.596 0.680 1.00 0.00 C ATOM 1135 O ALA A 72 12.733 -2.433 0.612 1.00 0.00 O ATOM 1136 CB ALA A 72 13.723 -5.406 -0.346 1.00 0.00 C ATOM 0 H ALA A 72 12.557 -6.634 1.443 1.00 0.00 H new ATOM 0 HA ALA A 72 14.192 -4.319 1.438 1.00 0.00 H new ATOM 0 HB1 ALA A 72 14.159 -4.662 -1.013 1.00 0.00 H new ATOM 0 HB2 ALA A 72 14.459 -6.183 -0.138 1.00 0.00 H new ATOM 0 HB3 ALA A 72 12.849 -5.852 -0.821 1.00 0.00 H new ATOM 1142 N ARG A 73 11.061 -3.935 0.525 1.00 0.00 N ATOM 1143 CA ARG A 73 10.031 -2.937 0.258 1.00 0.00 C ATOM 1144 C ARG A 73 9.943 -1.928 1.398 1.00 0.00 C ATOM 1145 O ARG A 73 9.593 -0.767 1.186 1.00 0.00 O ATOM 1146 CB ARG A 73 8.675 -3.616 0.053 1.00 0.00 C ATOM 1147 CG ARG A 73 8.352 -3.898 -1.406 1.00 0.00 C ATOM 1148 CD ARG A 73 7.606 -5.213 -1.567 1.00 0.00 C ATOM 1149 NE ARG A 73 6.639 -5.164 -2.661 1.00 0.00 N ATOM 1150 CZ ARG A 73 6.120 -6.243 -3.241 1.00 0.00 C ATOM 1151 NH1 ARG A 73 6.472 -7.457 -2.836 1.00 0.00 N ATOM 1152 NH2 ARG A 73 5.246 -6.109 -4.229 1.00 0.00 N ATOM 0 H ARG A 73 10.716 -4.893 0.580 1.00 0.00 H new ATOM 0 HA ARG A 73 10.303 -2.404 -0.653 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.660 -4.554 0.608 1.00 0.00 H new ATOM 0 HB3 ARG A 73 7.894 -2.984 0.474 1.00 0.00 H new ATOM 0 HG2 ARG A 73 7.749 -3.085 -1.810 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.275 -3.929 -1.985 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.321 -6.015 -1.751 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.090 -5.453 -0.637 1.00 0.00 H new ATOM 0 HE ARG A 73 6.344 -4.248 -3.000 1.00 0.00 H new ATOM 0 HH11 ARG A 73 7.144 -7.566 -2.076 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.071 -8.281 -3.284 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.972 -5.179 -4.544 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.848 -6.936 -4.674 1.00 0.00 H new ATOM 1166 N GLU A 74 10.260 -2.379 2.608 1.00 0.00 N ATOM 1167 CA GLU A 74 10.215 -1.514 3.782 1.00 0.00 C ATOM 1168 C GLU A 74 11.145 -0.317 3.611 1.00 0.00 C ATOM 1169 O GLU A 74 10.755 0.824 3.860 1.00 0.00 O ATOM 1170 CB GLU A 74 10.602 -2.301 5.035 1.00 0.00 C ATOM 1171 CG GLU A 74 10.549 -1.477 6.311 1.00 0.00 C ATOM 1172 CD GLU A 74 11.903 -0.915 6.699 1.00 0.00 C ATOM 1173 OE1 GLU A 74 12.726 -1.676 7.249 1.00 0.00 O ATOM 1174 OE2 GLU A 74 12.140 0.285 6.451 1.00 0.00 O ATOM 0 H GLU A 74 10.551 -3.338 2.801 1.00 0.00 H new ATOM 0 HA GLU A 74 9.195 -1.146 3.893 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.935 -3.157 5.137 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.610 -2.696 4.909 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.843 -0.657 6.180 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.170 -2.097 7.124 1.00 0.00 H new ATOM 1181 N ALA A 75 12.376 -0.584 3.187 1.00 0.00 N ATOM 1182 CA ALA A 75 13.360 0.471 2.984 1.00 0.00 C ATOM 1183 C ALA A 75 12.887 1.469 1.933 1.00 0.00 C ATOM 1184 O ALA A 75 13.223 2.652 1.990 1.00 0.00 O ATOM 1185 CB ALA A 75 14.699 -0.128 2.580 1.00 0.00 C ATOM 0 H ALA A 75 12.715 -1.523 2.977 1.00 0.00 H new ATOM 0 HA ALA A 75 13.482 1.006 3.926 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.425 0.671 2.431 1.00 0.00 H new ATOM 0 HB2 ALA A 75 15.051 -0.796 3.366 1.00 0.00 H new ATOM 0 HB3 ALA A 75 14.582 -0.689 1.653 1.00 0.00 H new ATOM 1191 N ALA A 76 12.105 0.986 0.973 1.00 0.00 N ATOM 1192 CA ALA A 76 11.585 1.836 -0.090 1.00 0.00 C ATOM 1193 C ALA A 76 10.357 2.611 0.375 1.00 0.00 C ATOM 1194 O ALA A 76 10.214 3.800 0.088 1.00 0.00 O ATOM 1195 CB ALA A 76 11.251 1.001 -1.317 1.00 0.00 C ATOM 0 H ALA A 76 11.818 0.009 0.910 1.00 0.00 H new ATOM 0 HA ALA A 76 12.358 2.558 -0.354 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.864 1.649 -2.103 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.151 0.499 -1.671 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.499 0.256 -1.057 1.00 0.00 H new ATOM 1201 N LEU A 77 9.470 1.929 1.093 1.00 0.00 N ATOM 1202 CA LEU A 77 8.253 2.553 1.598 1.00 0.00 C ATOM 1203 C LEU A 77 8.576 3.601 2.658 1.00 0.00 C ATOM 1204 O LEU A 77 8.059 4.717 2.620 1.00 0.00 O ATOM 1205 CB LEU A 77 7.314 1.494 2.180 1.00 0.00 C ATOM 1206 CG LEU A 77 6.597 0.624 1.147 1.00 0.00 C ATOM 1207 CD1 LEU A 77 5.973 -0.592 1.815 1.00 0.00 C ATOM 1208 CD2 LEU A 77 5.539 1.434 0.415 1.00 0.00 C ATOM 0 H LEU A 77 9.572 0.944 1.338 1.00 0.00 H new ATOM 0 HA LEU A 77 7.757 3.049 0.763 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.888 0.846 2.842 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.565 1.993 2.794 1.00 0.00 H new ATOM 0 HG LEU A 77 7.330 0.276 0.419 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.467 -1.200 1.065 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.753 -1.183 2.295 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.252 -0.266 2.564 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.038 0.801 -0.317 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.808 1.810 1.131 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.012 2.273 -0.095 1.00 0.00 H new ATOM 1220 N LYS A 78 9.433 3.231 3.606 1.00 0.00 N ATOM 1221 CA LYS A 78 9.824 4.138 4.679 1.00 0.00 C ATOM 1222 C LYS A 78 10.458 5.409 4.119 1.00 0.00 C ATOM 1223 O LYS A 78 10.378 6.475 4.729 1.00 0.00 O ATOM 1224 CB LYS A 78 10.798 3.441 5.632 1.00 0.00 C ATOM 1225 CG LYS A 78 10.137 2.907 6.893 1.00 0.00 C ATOM 1226 CD LYS A 78 10.408 3.805 8.089 1.00 0.00 C ATOM 1227 CE LYS A 78 11.574 3.292 8.919 1.00 0.00 C ATOM 1228 NZ LYS A 78 11.346 3.489 10.377 1.00 0.00 N ATOM 0 H LYS A 78 9.869 2.310 3.652 1.00 0.00 H new ATOM 0 HA LYS A 78 8.926 4.419 5.229 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.280 2.616 5.107 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.584 4.142 5.913 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.062 2.826 6.734 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.506 1.902 7.100 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.623 4.817 7.744 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.515 3.863 8.711 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.726 2.232 8.715 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.487 3.808 8.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.163 3.126 10.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.226 4.503 10.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.489 2.976 10.667 1.00 0.00 H new