USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 439 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 23 ASN : amide:sc= -1.76 K(o=-1.8,f=-6.7!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot -15:sc= -0.556 USER MOD Single : A 37 THR OG1 : rot 59:sc= 0.871 USER MOD Single : A 38 GLN : amide:sc=-0.00419 X(o=-0.0042,f=0) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.202 X(o=-0.2,f=-0.27) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 156:sc= -0.0273 (180deg=-0.333) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 179:sc= -1.43 (180deg=-1.44) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.397 K(o=-0.4,f=-3.5!) USER MOD Single : A 66 MET CE :methyl 144:sc= -0.322 (180deg=-3.89!) USER MOD Single : A 67 TYR OH : rot 109:sc= 0.0448 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.755 USER MOD Single : A 72 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0723) USER MOD ----------------------------------------------------------------- ATOM 287 N ASN A 23 -1.149 -3.681 7.834 1.00 0.00 N ATOM 288 CA ASN A 23 -2.238 -2.960 8.482 1.00 0.00 C ATOM 289 C ASN A 23 -2.860 -1.944 7.529 1.00 0.00 C ATOM 290 O ASN A 23 -2.364 -1.730 6.424 1.00 0.00 O ATOM 291 CB ASN A 23 -1.731 -2.252 9.740 1.00 0.00 C ATOM 292 CG ASN A 23 -0.378 -1.599 9.531 1.00 0.00 C ATOM 293 OD1 ASN A 23 -0.280 -0.526 8.935 1.00 0.00 O ATOM 294 ND2 ASN A 23 0.673 -2.246 10.021 1.00 0.00 N ATOM 0 HA ASN A 23 -3.003 -3.684 8.764 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -2.454 -1.495 10.044 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.662 -2.972 10.556 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.609 -1.856 9.910 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.544 -3.133 10.508 1.00 0.00 H new ATOM 301 N ALA A 24 -3.950 -1.321 7.966 1.00 0.00 N ATOM 302 CA ALA A 24 -4.638 -0.326 7.154 1.00 0.00 C ATOM 303 C ALA A 24 -3.703 0.818 6.777 1.00 0.00 C ATOM 304 O ALA A 24 -3.735 1.315 5.651 1.00 0.00 O ATOM 305 CB ALA A 24 -5.857 0.208 7.893 1.00 0.00 C ATOM 0 H ALA A 24 -4.375 -1.488 8.878 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.967 -0.809 6.234 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.361 0.950 7.274 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.542 -0.613 8.106 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.542 0.669 8.829 1.00 0.00 H new ATOM 311 N PHE A 25 -2.871 1.233 7.727 1.00 0.00 N ATOM 312 CA PHE A 25 -1.927 2.320 7.495 1.00 0.00 C ATOM 313 C PHE A 25 -0.944 1.959 6.385 1.00 0.00 C ATOM 314 O PHE A 25 -0.617 2.790 5.537 1.00 0.00 O ATOM 315 CB PHE A 25 -1.164 2.645 8.781 1.00 0.00 C ATOM 316 CG PHE A 25 -0.188 3.776 8.629 1.00 0.00 C ATOM 317 CD1 PHE A 25 -0.622 5.038 8.258 1.00 0.00 C ATOM 318 CD2 PHE A 25 1.164 3.577 8.858 1.00 0.00 C ATOM 319 CE1 PHE A 25 0.275 6.081 8.117 1.00 0.00 C ATOM 320 CE2 PHE A 25 2.066 4.615 8.719 1.00 0.00 C ATOM 321 CZ PHE A 25 1.620 5.869 8.349 1.00 0.00 C ATOM 0 H PHE A 25 -2.831 0.833 8.664 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.493 3.199 7.184 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.879 2.895 9.565 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.628 1.755 9.111 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -1.673 5.209 8.077 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.517 2.599 9.149 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.076 7.060 7.826 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.117 4.446 8.899 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.322 6.683 8.241 1.00 0.00 H new ATOM 331 N MET A 26 -0.477 0.715 6.397 1.00 0.00 N ATOM 332 CA MET A 26 0.469 0.244 5.392 1.00 0.00 C ATOM 333 C MET A 26 -0.081 0.461 3.985 1.00 0.00 C ATOM 334 O MET A 26 0.596 1.022 3.123 1.00 0.00 O ATOM 335 CB MET A 26 0.779 -1.238 5.608 1.00 0.00 C ATOM 336 CG MET A 26 1.782 -1.494 6.721 1.00 0.00 C ATOM 337 SD MET A 26 2.909 -2.849 6.343 1.00 0.00 S ATOM 338 CE MET A 26 4.442 -2.212 7.017 1.00 0.00 C ATOM 0 H MET A 26 -0.738 0.015 7.091 1.00 0.00 H new ATOM 0 HA MET A 26 1.389 0.819 5.496 1.00 0.00 H new ATOM 0 HB2 MET A 26 -0.147 -1.765 5.837 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.164 -1.659 4.679 1.00 0.00 H new ATOM 0 HG2 MET A 26 2.359 -0.587 6.901 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.246 -1.719 7.643 1.00 0.00 H new ATOM 0 HE1 MET A 26 5.238 -2.939 6.860 1.00 0.00 H new ATOM 0 HE2 MET A 26 4.699 -1.279 6.517 1.00 0.00 H new ATOM 0 HE3 MET A 26 4.322 -2.030 8.085 1.00 0.00 H new ATOM 348 N LEU A 27 -1.311 0.014 3.760 1.00 0.00 N ATOM 349 CA LEU A 27 -1.952 0.159 2.458 1.00 0.00 C ATOM 350 C LEU A 27 -2.025 1.626 2.048 1.00 0.00 C ATOM 351 O LEU A 27 -2.073 1.948 0.860 1.00 0.00 O ATOM 352 CB LEU A 27 -3.356 -0.445 2.488 1.00 0.00 C ATOM 353 CG LEU A 27 -3.797 -1.185 1.224 1.00 0.00 C ATOM 354 CD1 LEU A 27 -2.853 -2.339 0.925 1.00 0.00 C ATOM 355 CD2 LEU A 27 -5.226 -1.686 1.369 1.00 0.00 C ATOM 0 H LEU A 27 -1.885 -0.452 4.463 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.350 -0.375 1.723 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.414 -1.137 3.328 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.070 0.355 2.684 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.762 -0.487 0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.182 -2.854 0.023 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.844 -1.954 0.776 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.855 -3.037 1.762 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.522 -2.210 0.460 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.288 -2.368 2.217 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.893 -0.840 1.534 1.00 0.00 H new ATOM 367 N PHE A 28 -2.033 2.512 3.038 1.00 0.00 N ATOM 368 CA PHE A 28 -2.099 3.946 2.781 1.00 0.00 C ATOM 369 C PHE A 28 -0.717 4.506 2.459 1.00 0.00 C ATOM 370 O PHE A 28 -0.499 5.075 1.390 1.00 0.00 O ATOM 371 CB PHE A 28 -2.689 4.676 3.989 1.00 0.00 C ATOM 372 CG PHE A 28 -2.499 6.165 3.942 1.00 0.00 C ATOM 373 CD1 PHE A 28 -1.369 6.750 4.491 1.00 0.00 C ATOM 374 CD2 PHE A 28 -3.449 6.980 3.348 1.00 0.00 C ATOM 375 CE1 PHE A 28 -1.192 8.120 4.450 1.00 0.00 C ATOM 376 CE2 PHE A 28 -3.277 8.350 3.303 1.00 0.00 C ATOM 377 CZ PHE A 28 -2.146 8.921 3.854 1.00 0.00 C ATOM 0 H PHE A 28 -1.995 2.262 4.026 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.746 4.105 1.918 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.755 4.456 4.051 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -2.229 4.288 4.898 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.618 6.128 4.956 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.335 6.539 2.915 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.308 8.564 4.884 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -4.026 8.974 2.838 1.00 0.00 H new ATOM 0 HZ PHE A 28 -2.008 9.992 3.819 1.00 0.00 H new ATOM 387 N ALA A 29 0.214 4.340 3.394 1.00 0.00 N ATOM 388 CA ALA A 29 1.575 4.826 3.210 1.00 0.00 C ATOM 389 C ALA A 29 2.233 4.174 1.999 1.00 0.00 C ATOM 390 O ALA A 29 3.220 4.683 1.466 1.00 0.00 O ATOM 391 CB ALA A 29 2.400 4.571 4.463 1.00 0.00 C ATOM 0 H ALA A 29 0.050 3.873 4.286 1.00 0.00 H new ATOM 0 HA ALA A 29 1.529 5.900 3.030 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.415 4.939 4.312 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.948 5.090 5.308 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.429 3.501 4.668 1.00 0.00 H new ATOM 397 N LYS A 30 1.682 3.045 1.569 1.00 0.00 N ATOM 398 CA LYS A 30 2.214 2.322 0.420 1.00 0.00 C ATOM 399 C LYS A 30 1.600 2.836 -0.878 1.00 0.00 C ATOM 400 O LYS A 30 2.248 2.841 -1.925 1.00 0.00 O ATOM 401 CB LYS A 30 1.945 0.822 0.565 1.00 0.00 C ATOM 402 CG LYS A 30 2.532 -0.013 -0.560 1.00 0.00 C ATOM 403 CD LYS A 30 2.257 -1.493 -0.357 1.00 0.00 C ATOM 404 CE LYS A 30 3.181 -2.353 -1.206 1.00 0.00 C ATOM 405 NZ LYS A 30 4.486 -2.596 -0.532 1.00 0.00 N ATOM 0 H LYS A 30 0.866 2.610 1.999 1.00 0.00 H new ATOM 0 HA LYS A 30 3.290 2.490 0.384 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.356 0.478 1.514 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.868 0.657 0.605 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.110 0.309 -1.512 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.608 0.154 -0.615 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.386 -1.747 0.695 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.220 -1.710 -0.612 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.698 -3.307 -1.417 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.353 -1.864 -2.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.087 -3.186 -1.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.959 -1.687 -0.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.324 -3.085 0.371 1.00 0.00 H new ATOM 419 N LYS A 31 0.346 3.269 -0.803 1.00 0.00 N ATOM 420 CA LYS A 31 -0.356 3.788 -1.971 1.00 0.00 C ATOM 421 C LYS A 31 0.013 5.247 -2.223 1.00 0.00 C ATOM 422 O LYS A 31 0.257 5.648 -3.362 1.00 0.00 O ATOM 423 CB LYS A 31 -1.869 3.659 -1.782 1.00 0.00 C ATOM 424 CG LYS A 31 -2.664 3.901 -3.053 1.00 0.00 C ATOM 425 CD LYS A 31 -4.159 3.810 -2.801 1.00 0.00 C ATOM 426 CE LYS A 31 -4.634 2.365 -2.779 1.00 0.00 C ATOM 427 NZ LYS A 31 -6.081 2.251 -3.113 1.00 0.00 N ATOM 0 H LYS A 31 -0.205 3.271 0.055 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.053 3.200 -2.837 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.096 2.661 -1.406 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.193 4.368 -1.020 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.421 4.885 -3.454 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.376 3.170 -3.808 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.399 4.287 -1.851 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.694 4.358 -3.577 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.050 1.780 -3.490 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.455 1.939 -1.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.365 1.251 -3.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.641 2.788 -2.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.249 2.634 -4.065 1.00 0.00 H new ATOM 441 N TYR A 32 0.052 6.035 -1.155 1.00 0.00 N ATOM 442 CA TYR A 32 0.390 7.450 -1.261 1.00 0.00 C ATOM 443 C TYR A 32 1.896 7.661 -1.137 1.00 0.00 C ATOM 444 O TYR A 32 2.368 8.793 -1.035 1.00 0.00 O ATOM 445 CB TYR A 32 -0.340 8.252 -0.182 1.00 0.00 C ATOM 446 CG TYR A 32 -1.807 8.468 -0.476 1.00 0.00 C ATOM 447 CD1 TYR A 32 -2.674 7.391 -0.614 1.00 0.00 C ATOM 448 CD2 TYR A 32 -2.327 9.749 -0.615 1.00 0.00 C ATOM 449 CE1 TYR A 32 -4.015 7.583 -0.884 1.00 0.00 C ATOM 450 CE2 TYR A 32 -3.667 9.951 -0.883 1.00 0.00 C ATOM 451 CZ TYR A 32 -4.507 8.865 -1.017 1.00 0.00 C ATOM 452 OH TYR A 32 -5.843 9.061 -1.284 1.00 0.00 O ATOM 0 H TYR A 32 -0.146 5.719 -0.206 1.00 0.00 H new ATOM 0 HA TYR A 32 0.072 7.801 -2.243 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.242 7.734 0.772 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.146 9.221 -0.070 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.293 6.386 -0.508 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.672 10.602 -0.512 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -4.675 6.734 -0.990 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -4.055 10.954 -0.987 1.00 0.00 H new ATOM 0 HH TYR A 32 -6.027 10.022 -1.346 1.00 0.00 H new ATOM 462 N ARG A 33 2.643 6.563 -1.147 1.00 0.00 N ATOM 463 CA ARG A 33 4.096 6.626 -1.036 1.00 0.00 C ATOM 464 C ARG A 33 4.697 7.410 -2.199 1.00 0.00 C ATOM 465 O ARG A 33 5.327 8.449 -2.001 1.00 0.00 O ATOM 466 CB ARG A 33 4.687 5.216 -0.997 1.00 0.00 C ATOM 467 CG ARG A 33 5.836 5.064 -0.013 1.00 0.00 C ATOM 468 CD ARG A 33 6.920 4.149 -0.559 1.00 0.00 C ATOM 469 NE ARG A 33 6.580 2.738 -0.396 1.00 0.00 N ATOM 470 CZ ARG A 33 7.322 1.744 -0.871 1.00 0.00 C ATOM 471 NH1 ARG A 33 8.439 2.004 -1.535 1.00 0.00 N ATOM 472 NH2 ARG A 33 6.946 0.485 -0.682 1.00 0.00 N ATOM 0 H ARG A 33 2.267 5.619 -1.231 1.00 0.00 H new ATOM 0 HA ARG A 33 4.343 7.141 -0.108 1.00 0.00 H new ATOM 0 HB2 ARG A 33 3.900 4.508 -0.736 1.00 0.00 H new ATOM 0 HB3 ARG A 33 5.037 4.950 -1.995 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.261 6.044 0.205 1.00 0.00 H new ATOM 0 HG3 ARG A 33 5.460 4.663 0.928 1.00 0.00 H new ATOM 0 HD2 ARG A 33 7.077 4.364 -1.616 1.00 0.00 H new ATOM 0 HD3 ARG A 33 7.860 4.356 -0.048 1.00 0.00 H new ATOM 0 HE ARG A 33 5.726 2.503 0.110 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.731 2.970 -1.683 1.00 0.00 H new ATOM 0 HH12 ARG A 33 9.006 1.238 -1.898 1.00 0.00 H new ATOM 0 HH21 ARG A 33 6.087 0.280 -0.172 1.00 0.00 H new ATOM 0 HH22 ARG A 33 7.516 -0.278 -1.047 1.00 0.00 H new ATOM 486 N VAL A 34 4.498 6.904 -3.412 1.00 0.00 N ATOM 487 CA VAL A 34 5.020 7.556 -4.607 1.00 0.00 C ATOM 488 C VAL A 34 4.318 8.887 -4.857 1.00 0.00 C ATOM 489 O VAL A 34 4.907 9.815 -5.410 1.00 0.00 O ATOM 490 CB VAL A 34 4.859 6.662 -5.850 1.00 0.00 C ATOM 491 CG1 VAL A 34 5.583 7.269 -7.042 1.00 0.00 C ATOM 492 CG2 VAL A 34 5.368 5.257 -5.565 1.00 0.00 C ATOM 0 H VAL A 34 3.979 6.045 -3.593 1.00 0.00 H new ATOM 0 HA VAL A 34 6.081 7.735 -4.433 1.00 0.00 H new ATOM 0 HB VAL A 34 3.799 6.597 -6.094 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.458 6.623 -7.911 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.167 8.253 -7.258 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.644 7.367 -6.812 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.247 4.639 -6.454 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.423 5.300 -5.294 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.800 4.824 -4.742 1.00 0.00 H new ATOM 502 N GLU A 35 3.057 8.971 -4.446 1.00 0.00 N ATOM 503 CA GLU A 35 2.275 10.189 -4.626 1.00 0.00 C ATOM 504 C GLU A 35 3.027 11.403 -4.086 1.00 0.00 C ATOM 505 O GLU A 35 2.962 12.491 -4.658 1.00 0.00 O ATOM 506 CB GLU A 35 0.921 10.061 -3.926 1.00 0.00 C ATOM 507 CG GLU A 35 0.020 8.999 -4.534 1.00 0.00 C ATOM 508 CD GLU A 35 -0.008 9.055 -6.049 1.00 0.00 C ATOM 509 OE1 GLU A 35 -0.670 9.960 -6.598 1.00 0.00 O ATOM 510 OE2 GLU A 35 0.634 8.193 -6.686 1.00 0.00 O ATOM 0 H GLU A 35 2.555 8.211 -3.987 1.00 0.00 H new ATOM 0 HA GLU A 35 2.111 10.330 -5.694 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.086 9.827 -2.874 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.410 11.023 -3.962 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.361 8.014 -4.217 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.993 9.124 -4.151 1.00 0.00 H new ATOM 517 N TYR A 36 3.738 11.207 -2.982 1.00 0.00 N ATOM 518 CA TYR A 36 4.499 12.285 -2.362 1.00 0.00 C ATOM 519 C TYR A 36 5.952 12.264 -2.828 1.00 0.00 C ATOM 520 O TYR A 36 6.657 13.271 -2.749 1.00 0.00 O ATOM 521 CB TYR A 36 4.439 12.169 -0.838 1.00 0.00 C ATOM 522 CG TYR A 36 3.124 12.628 -0.247 1.00 0.00 C ATOM 523 CD1 TYR A 36 1.929 12.015 -0.603 1.00 0.00 C ATOM 524 CD2 TYR A 36 3.077 13.674 0.666 1.00 0.00 C ATOM 525 CE1 TYR A 36 0.726 12.430 -0.067 1.00 0.00 C ATOM 526 CE2 TYR A 36 1.879 14.095 1.209 1.00 0.00 C ATOM 527 CZ TYR A 36 0.706 13.470 0.839 1.00 0.00 C ATOM 528 OH TYR A 36 -0.490 13.888 1.376 1.00 0.00 O ATOM 0 H TYR A 36 3.803 10.312 -2.498 1.00 0.00 H new ATOM 0 HA TYR A 36 4.052 13.232 -2.666 1.00 0.00 H new ATOM 0 HB2 TYR A 36 4.613 11.131 -0.554 1.00 0.00 H new ATOM 0 HB3 TYR A 36 5.248 12.758 -0.405 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.941 11.200 -1.311 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.993 14.167 0.956 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.194 11.943 -0.355 1.00 0.00 H new ATOM 0 HE2 TYR A 36 1.860 14.909 1.919 1.00 0.00 H new ATOM 0 HH TYR A 36 -1.231 13.524 0.848 1.00 0.00 H new ATOM 538 N THR A 37 6.393 11.109 -3.315 1.00 0.00 N ATOM 539 CA THR A 37 7.761 10.954 -3.794 1.00 0.00 C ATOM 540 C THR A 37 8.039 11.879 -4.973 1.00 0.00 C ATOM 541 O THR A 37 9.140 12.412 -5.110 1.00 0.00 O ATOM 542 CB THR A 37 8.048 9.501 -4.217 1.00 0.00 C ATOM 543 OG1 THR A 37 7.883 8.623 -3.098 1.00 0.00 O ATOM 544 CG2 THR A 37 9.458 9.367 -4.771 1.00 0.00 C ATOM 0 H THR A 37 5.823 10.267 -3.388 1.00 0.00 H new ATOM 0 HA THR A 37 8.417 11.219 -2.965 1.00 0.00 H new ATOM 0 HB THR A 37 7.340 9.227 -5.000 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.966 8.694 -2.759 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.637 8.332 -5.063 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.570 10.014 -5.641 1.00 0.00 H new ATOM 0 HG23 THR A 37 10.178 9.658 -4.007 1.00 0.00 H new ATOM 552 N GLN A 38 7.033 12.067 -5.822 1.00 0.00 N ATOM 553 CA GLN A 38 7.171 12.928 -6.990 1.00 0.00 C ATOM 554 C GLN A 38 6.671 14.337 -6.689 1.00 0.00 C ATOM 555 O GLN A 38 7.129 15.310 -7.287 1.00 0.00 O ATOM 556 CB GLN A 38 6.400 12.343 -8.175 1.00 0.00 C ATOM 557 CG GLN A 38 6.619 10.851 -8.366 1.00 0.00 C ATOM 558 CD GLN A 38 6.041 10.339 -9.670 1.00 0.00 C ATOM 559 OE1 GLN A 38 6.742 9.724 -10.475 1.00 0.00 O ATOM 560 NE2 GLN A 38 4.755 10.589 -9.887 1.00 0.00 N ATOM 0 H GLN A 38 6.115 11.635 -5.722 1.00 0.00 H new ATOM 0 HA GLN A 38 8.229 12.984 -7.246 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.336 12.530 -8.033 1.00 0.00 H new ATOM 0 HB3 GLN A 38 6.697 12.865 -9.085 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.688 10.638 -8.338 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.165 10.312 -7.535 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.211 11.102 -9.193 1.00 0.00 H new ATOM 0 HE22 GLN A 38 4.311 10.268 -10.747 1.00 0.00 H new ATOM 569 N MET A 39 5.728 14.439 -5.758 1.00 0.00 N ATOM 570 CA MET A 39 5.166 15.730 -5.377 1.00 0.00 C ATOM 571 C MET A 39 6.145 16.513 -4.508 1.00 0.00 C ATOM 572 O MET A 39 6.127 17.744 -4.491 1.00 0.00 O ATOM 573 CB MET A 39 3.846 15.535 -4.630 1.00 0.00 C ATOM 574 CG MET A 39 2.627 15.534 -5.539 1.00 0.00 C ATOM 575 SD MET A 39 1.148 16.157 -4.719 1.00 0.00 S ATOM 576 CE MET A 39 0.714 14.755 -3.692 1.00 0.00 C ATOM 0 H MET A 39 5.337 13.643 -5.254 1.00 0.00 H new ATOM 0 HA MET A 39 4.979 16.300 -6.287 1.00 0.00 H new ATOM 0 HB2 MET A 39 3.883 14.592 -4.084 1.00 0.00 H new ATOM 0 HB3 MET A 39 3.736 16.328 -3.890 1.00 0.00 H new ATOM 0 HG2 MET A 39 2.834 16.144 -6.418 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.442 14.519 -5.891 1.00 0.00 H new ATOM 0 HE1 MET A 39 -0.185 14.987 -3.121 1.00 0.00 H new ATOM 0 HE2 MET A 39 0.529 13.885 -4.323 1.00 0.00 H new ATOM 0 HE3 MET A 39 1.534 14.538 -3.007 1.00 0.00 H new ATOM 586 N TYR A 40 6.997 15.793 -3.788 1.00 0.00 N ATOM 587 CA TYR A 40 7.981 16.421 -2.915 1.00 0.00 C ATOM 588 C TYR A 40 9.369 15.831 -3.145 1.00 0.00 C ATOM 589 O TYR A 40 9.920 15.126 -2.299 1.00 0.00 O ATOM 590 CB TYR A 40 7.578 16.248 -1.449 1.00 0.00 C ATOM 591 CG TYR A 40 6.293 16.958 -1.087 1.00 0.00 C ATOM 592 CD1 TYR A 40 5.065 16.483 -1.532 1.00 0.00 C ATOM 593 CD2 TYR A 40 6.307 18.104 -0.302 1.00 0.00 C ATOM 594 CE1 TYR A 40 3.888 17.129 -1.204 1.00 0.00 C ATOM 595 CE2 TYR A 40 5.135 18.755 0.032 1.00 0.00 C ATOM 596 CZ TYR A 40 3.928 18.264 -0.422 1.00 0.00 C ATOM 597 OH TYR A 40 2.759 18.910 -0.092 1.00 0.00 O ATOM 0 H TYR A 40 7.026 14.773 -3.792 1.00 0.00 H new ATOM 0 HA TYR A 40 8.014 17.484 -3.153 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.469 15.185 -1.234 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.381 16.621 -0.814 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.030 15.594 -2.144 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.250 18.493 0.053 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.942 16.747 -1.558 1.00 0.00 H new ATOM 0 HE2 TYR A 40 5.163 19.644 0.645 1.00 0.00 H new ATOM 0 HH TYR A 40 2.962 19.691 0.464 1.00 0.00 H new ATOM 607 N PRO A 41 9.950 16.126 -4.317 1.00 0.00 N ATOM 608 CA PRO A 41 11.281 15.637 -4.687 1.00 0.00 C ATOM 609 C PRO A 41 12.387 16.288 -3.865 1.00 0.00 C ATOM 610 O PRO A 41 13.502 15.773 -3.787 1.00 0.00 O ATOM 611 CB PRO A 41 11.407 16.031 -6.161 1.00 0.00 C ATOM 612 CG PRO A 41 10.494 17.198 -6.320 1.00 0.00 C ATOM 613 CD PRO A 41 9.351 16.961 -5.372 1.00 0.00 C ATOM 0 HA PRO A 41 11.386 14.567 -4.507 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.434 16.294 -6.414 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.118 15.210 -6.817 1.00 0.00 H new ATOM 0 HG2 PRO A 41 11.008 18.130 -6.086 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.139 17.279 -7.347 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.961 17.897 -4.971 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.520 16.454 -5.863 1.00 0.00 H new ATOM 621 N GLY A 42 12.071 17.424 -3.250 1.00 0.00 N ATOM 622 CA GLY A 42 13.049 18.127 -2.441 1.00 0.00 C ATOM 623 C GLY A 42 13.141 17.575 -1.032 1.00 0.00 C ATOM 624 O GLY A 42 14.147 17.762 -0.347 1.00 0.00 O ATOM 0 H GLY A 42 11.155 17.870 -3.298 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.027 18.060 -2.919 1.00 0.00 H new ATOM 0 HA3 GLY A 42 12.787 19.184 -2.397 1.00 0.00 H new ATOM 628 N LYS A 43 12.087 16.893 -0.596 1.00 0.00 N ATOM 629 CA LYS A 43 12.050 16.312 0.741 1.00 0.00 C ATOM 630 C LYS A 43 12.771 14.968 0.769 1.00 0.00 C ATOM 631 O LYS A 43 13.218 14.470 -0.265 1.00 0.00 O ATOM 632 CB LYS A 43 10.602 16.136 1.204 1.00 0.00 C ATOM 633 CG LYS A 43 9.890 17.447 1.485 1.00 0.00 C ATOM 634 CD LYS A 43 8.642 17.235 2.325 1.00 0.00 C ATOM 635 CE LYS A 43 7.990 18.558 2.698 1.00 0.00 C ATOM 636 NZ LYS A 43 8.573 19.132 3.942 1.00 0.00 N ATOM 0 H LYS A 43 11.246 16.729 -1.150 1.00 0.00 H new ATOM 0 HA LYS A 43 12.561 16.994 1.421 1.00 0.00 H new ATOM 0 HB2 LYS A 43 10.049 15.588 0.441 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.590 15.525 2.106 1.00 0.00 H new ATOM 0 HG2 LYS A 43 10.567 18.126 2.003 1.00 0.00 H new ATOM 0 HG3 LYS A 43 9.619 17.924 0.543 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.931 16.620 1.773 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.901 16.687 3.231 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.112 19.267 1.879 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.919 18.409 2.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.102 20.033 4.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.434 18.467 4.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.590 19.298 3.804 1.00 0.00 H new ATOM 650 N ASP A 44 12.879 14.384 1.958 1.00 0.00 N ATOM 651 CA ASP A 44 13.543 13.096 2.120 1.00 0.00 C ATOM 652 C ASP A 44 12.531 11.999 2.434 1.00 0.00 C ATOM 653 O ASP A 44 11.409 12.278 2.853 1.00 0.00 O ATOM 654 CB ASP A 44 14.591 13.175 3.232 1.00 0.00 C ATOM 655 CG ASP A 44 14.072 13.884 4.467 1.00 0.00 C ATOM 656 OD1 ASP A 44 13.337 13.248 5.251 1.00 0.00 O ATOM 657 OD2 ASP A 44 14.399 15.076 4.649 1.00 0.00 O ATOM 0 H ASP A 44 12.515 14.783 2.824 1.00 0.00 H new ATOM 0 HA ASP A 44 14.039 12.850 1.181 1.00 0.00 H new ATOM 0 HB2 ASP A 44 14.908 12.167 3.501 1.00 0.00 H new ATOM 0 HB3 ASP A 44 15.472 13.697 2.860 1.00 0.00 H new ATOM 662 N ASN A 45 12.937 10.750 2.228 1.00 0.00 N ATOM 663 CA ASN A 45 12.065 9.610 2.487 1.00 0.00 C ATOM 664 C ASN A 45 11.490 9.676 3.899 1.00 0.00 C ATOM 665 O ASN A 45 10.299 9.443 4.107 1.00 0.00 O ATOM 666 CB ASN A 45 12.833 8.301 2.297 1.00 0.00 C ATOM 667 CG ASN A 45 13.626 8.278 1.005 1.00 0.00 C ATOM 668 OD1 ASN A 45 13.140 8.707 -0.042 1.00 0.00 O ATOM 669 ND2 ASN A 45 14.853 7.775 1.072 1.00 0.00 N ATOM 0 H ASN A 45 13.864 10.502 1.883 1.00 0.00 H new ATOM 0 HA ASN A 45 11.240 9.645 1.776 1.00 0.00 H new ATOM 0 HB2 ASN A 45 13.510 8.155 3.138 1.00 0.00 H new ATOM 0 HB3 ASN A 45 12.131 7.467 2.304 1.00 0.00 H new ATOM 0 HD21 ASN A 45 15.433 7.733 0.234 1.00 0.00 H new ATOM 0 HD22 ASN A 45 15.215 7.431 1.961 1.00 0.00 H new ATOM 676 N ARG A 46 12.345 9.994 4.866 1.00 0.00 N ATOM 677 CA ARG A 46 11.923 10.090 6.258 1.00 0.00 C ATOM 678 C ARG A 46 10.816 11.127 6.420 1.00 0.00 C ATOM 679 O ARG A 46 9.996 11.037 7.333 1.00 0.00 O ATOM 680 CB ARG A 46 13.111 10.452 7.150 1.00 0.00 C ATOM 681 CG ARG A 46 12.804 10.371 8.636 1.00 0.00 C ATOM 682 CD ARG A 46 12.801 8.932 9.127 1.00 0.00 C ATOM 683 NE ARG A 46 11.474 8.328 9.042 1.00 0.00 N ATOM 684 CZ ARG A 46 10.491 8.592 9.896 1.00 0.00 C ATOM 685 NH1 ARG A 46 10.684 9.444 10.892 1.00 0.00 N ATOM 686 NH2 ARG A 46 9.311 8.002 9.753 1.00 0.00 N ATOM 0 H ARG A 46 13.334 10.189 4.711 1.00 0.00 H new ATOM 0 HA ARG A 46 11.534 9.118 6.561 1.00 0.00 H new ATOM 0 HB2 ARG A 46 13.942 9.784 6.922 1.00 0.00 H new ATOM 0 HB3 ARG A 46 13.440 11.463 6.910 1.00 0.00 H new ATOM 0 HG2 ARG A 46 13.544 10.945 9.193 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.833 10.826 8.833 1.00 0.00 H new ATOM 0 HD2 ARG A 46 13.505 8.346 8.536 1.00 0.00 H new ATOM 0 HD3 ARG A 46 13.148 8.901 10.160 1.00 0.00 H new ATOM 0 HE ARG A 46 11.292 7.668 8.286 1.00 0.00 H new ATOM 0 HH11 ARG A 46 11.590 9.900 11.005 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.927 9.644 11.546 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.158 7.346 8.987 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.557 8.205 10.409 1.00 0.00 H new ATOM 700 N ALA A 47 10.800 12.113 5.529 1.00 0.00 N ATOM 701 CA ALA A 47 9.794 13.167 5.572 1.00 0.00 C ATOM 702 C ALA A 47 8.490 12.707 4.930 1.00 0.00 C ATOM 703 O ALA A 47 7.403 13.022 5.416 1.00 0.00 O ATOM 704 CB ALA A 47 10.312 14.420 4.882 1.00 0.00 C ATOM 0 H ALA A 47 11.473 12.204 4.768 1.00 0.00 H new ATOM 0 HA ALA A 47 9.591 13.400 6.617 1.00 0.00 H new ATOM 0 HB1 ALA A 47 9.550 15.199 4.922 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.213 14.768 5.387 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.544 14.193 3.842 1.00 0.00 H new ATOM 710 N ILE A 48 8.605 11.962 3.835 1.00 0.00 N ATOM 711 CA ILE A 48 7.434 11.460 3.127 1.00 0.00 C ATOM 712 C ILE A 48 6.569 10.597 4.039 1.00 0.00 C ATOM 713 O ILE A 48 5.344 10.722 4.051 1.00 0.00 O ATOM 714 CB ILE A 48 7.836 10.637 1.889 1.00 0.00 C ATOM 715 CG1 ILE A 48 8.683 11.485 0.939 1.00 0.00 C ATOM 716 CG2 ILE A 48 6.597 10.112 1.178 1.00 0.00 C ATOM 717 CD1 ILE A 48 7.942 12.673 0.365 1.00 0.00 C ATOM 0 H ILE A 48 9.497 11.693 3.419 1.00 0.00 H new ATOM 0 HA ILE A 48 6.862 12.330 2.805 1.00 0.00 H new ATOM 0 HB ILE A 48 8.433 9.785 2.215 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.566 11.840 1.471 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.035 10.857 0.121 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.897 9.532 0.305 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.029 9.477 1.858 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.977 10.950 0.861 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.604 13.228 -0.299 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.074 12.325 -0.195 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.613 13.323 1.176 1.00 0.00 H new ATOM 729 N SER A 49 7.214 9.722 4.804 1.00 0.00 N ATOM 730 CA SER A 49 6.504 8.836 5.718 1.00 0.00 C ATOM 731 C SER A 49 5.787 9.635 6.802 1.00 0.00 C ATOM 732 O SER A 49 4.653 9.327 7.170 1.00 0.00 O ATOM 733 CB SER A 49 7.476 7.843 6.359 1.00 0.00 C ATOM 734 OG SER A 49 8.318 7.253 5.384 1.00 0.00 O ATOM 0 H SER A 49 8.228 9.608 4.809 1.00 0.00 H new ATOM 0 HA SER A 49 5.759 8.285 5.144 1.00 0.00 H new ATOM 0 HB2 SER A 49 8.083 8.354 7.107 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.916 7.066 6.879 1.00 0.00 H new ATOM 0 HG SER A 49 8.931 6.624 5.819 1.00 0.00 H new ATOM 740 N VAL A 50 6.458 10.664 7.311 1.00 0.00 N ATOM 741 CA VAL A 50 5.887 11.509 8.353 1.00 0.00 C ATOM 742 C VAL A 50 4.666 12.264 7.839 1.00 0.00 C ATOM 743 O VAL A 50 3.596 12.219 8.447 1.00 0.00 O ATOM 744 CB VAL A 50 6.919 12.523 8.881 1.00 0.00 C ATOM 745 CG1 VAL A 50 6.295 13.416 9.943 1.00 0.00 C ATOM 746 CG2 VAL A 50 8.141 11.802 9.429 1.00 0.00 C ATOM 0 H VAL A 50 7.398 10.932 7.018 1.00 0.00 H new ATOM 0 HA VAL A 50 5.587 10.850 9.167 1.00 0.00 H new ATOM 0 HB VAL A 50 7.240 13.155 8.052 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.039 14.126 10.304 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.454 13.959 9.513 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.945 12.803 10.774 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.860 12.533 9.798 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.840 11.145 10.245 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.600 11.210 8.637 1.00 0.00 H new ATOM 756 N ILE A 51 4.834 12.957 6.718 1.00 0.00 N ATOM 757 CA ILE A 51 3.744 13.720 6.122 1.00 0.00 C ATOM 758 C ILE A 51 2.553 12.822 5.803 1.00 0.00 C ATOM 759 O ILE A 51 1.406 13.269 5.809 1.00 0.00 O ATOM 760 CB ILE A 51 4.195 14.432 4.833 1.00 0.00 C ATOM 761 CG1 ILE A 51 5.367 15.370 5.126 1.00 0.00 C ATOM 762 CG2 ILE A 51 3.035 15.201 4.219 1.00 0.00 C ATOM 763 CD1 ILE A 51 6.127 15.794 3.888 1.00 0.00 C ATOM 0 H ILE A 51 5.714 13.006 6.204 1.00 0.00 H new ATOM 0 HA ILE A 51 3.445 14.468 6.856 1.00 0.00 H new ATOM 0 HB ILE A 51 4.526 13.680 4.117 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.992 16.258 5.634 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.054 14.876 5.813 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.370 15.699 3.309 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.227 14.510 3.979 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.676 15.946 4.929 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.944 16.458 4.172 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.532 14.913 3.390 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.454 16.317 3.209 1.00 0.00 H new ATOM 775 N LEU A 52 2.834 11.553 5.528 1.00 0.00 N ATOM 776 CA LEU A 52 1.786 10.590 5.208 1.00 0.00 C ATOM 777 C LEU A 52 0.910 10.314 6.427 1.00 0.00 C ATOM 778 O LEU A 52 -0.317 10.340 6.341 1.00 0.00 O ATOM 779 CB LEU A 52 2.402 9.285 4.703 1.00 0.00 C ATOM 780 CG LEU A 52 2.701 9.220 3.204 1.00 0.00 C ATOM 781 CD1 LEU A 52 3.383 7.907 2.853 1.00 0.00 C ATOM 782 CD2 LEU A 52 1.422 9.391 2.397 1.00 0.00 C ATOM 0 H LEU A 52 3.778 11.167 5.520 1.00 0.00 H new ATOM 0 HA LEU A 52 1.161 11.017 4.423 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.331 9.111 5.246 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.727 8.467 4.954 1.00 0.00 H new ATOM 0 HG LEU A 52 3.378 10.036 2.952 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.588 7.878 1.783 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.320 7.825 3.404 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.731 7.075 3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.654 9.342 1.333 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.721 8.596 2.653 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.973 10.358 2.627 1.00 0.00 H new ATOM 794 N GLY A 53 1.551 10.050 7.562 1.00 0.00 N ATOM 795 CA GLY A 53 0.815 9.775 8.782 1.00 0.00 C ATOM 796 C GLY A 53 -0.208 10.849 9.097 1.00 0.00 C ATOM 797 O GLY A 53 -1.368 10.547 9.377 1.00 0.00 O ATOM 0 H GLY A 53 2.566 10.022 7.658 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.311 8.813 8.689 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.515 9.689 9.613 1.00 0.00 H new ATOM 801 N ASP A 54 0.223 12.105 9.052 1.00 0.00 N ATOM 802 CA ASP A 54 -0.664 13.228 9.335 1.00 0.00 C ATOM 803 C ASP A 54 -1.935 13.141 8.496 1.00 0.00 C ATOM 804 O ASP A 54 -3.037 13.368 8.997 1.00 0.00 O ATOM 805 CB ASP A 54 0.052 14.552 9.064 1.00 0.00 C ATOM 806 CG ASP A 54 -0.531 15.700 9.864 1.00 0.00 C ATOM 807 OD1 ASP A 54 -1.214 15.432 10.875 1.00 0.00 O ATOM 808 OD2 ASP A 54 -0.306 16.866 9.479 1.00 0.00 O ATOM 0 H ASP A 54 1.181 12.371 8.822 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.942 13.184 10.388 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.110 14.446 9.305 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.011 14.785 8.001 1.00 0.00 H new ATOM 813 N ARG A 55 -1.774 12.813 7.219 1.00 0.00 N ATOM 814 CA ARG A 55 -2.908 12.699 6.310 1.00 0.00 C ATOM 815 C ARG A 55 -3.885 11.630 6.791 1.00 0.00 C ATOM 816 O ARG A 55 -5.098 11.766 6.630 1.00 0.00 O ATOM 817 CB ARG A 55 -2.426 12.365 4.897 1.00 0.00 C ATOM 818 CG ARG A 55 -1.835 13.555 4.158 1.00 0.00 C ATOM 819 CD ARG A 55 -2.827 14.143 3.167 1.00 0.00 C ATOM 820 NE ARG A 55 -2.486 15.515 2.801 1.00 0.00 N ATOM 821 CZ ARG A 55 -3.341 16.358 2.233 1.00 0.00 C ATOM 822 NH1 ARG A 55 -4.581 15.972 1.968 1.00 0.00 N ATOM 823 NH2 ARG A 55 -2.956 17.591 1.929 1.00 0.00 N ATOM 0 H ARG A 55 -0.869 12.621 6.790 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.425 13.659 6.293 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.677 11.575 4.955 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.262 11.969 4.321 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.539 14.320 4.876 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.932 13.246 3.631 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.853 13.524 2.270 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.827 14.121 3.599 1.00 0.00 H new ATOM 0 HE ARG A 55 -1.540 15.844 2.992 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -4.881 15.025 2.200 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -5.235 16.622 1.532 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -2.003 17.892 2.131 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.613 18.238 1.493 1.00 0.00 H new ATOM 837 N TRP A 56 -3.348 10.569 7.382 1.00 0.00 N ATOM 838 CA TRP A 56 -4.173 9.476 7.886 1.00 0.00 C ATOM 839 C TRP A 56 -4.996 9.926 9.088 1.00 0.00 C ATOM 840 O TRP A 56 -6.051 9.360 9.378 1.00 0.00 O ATOM 841 CB TRP A 56 -3.296 8.283 8.271 1.00 0.00 C ATOM 842 CG TRP A 56 -4.069 7.142 8.858 1.00 0.00 C ATOM 843 CD1 TRP A 56 -4.338 6.929 10.180 1.00 0.00 C ATOM 844 CD2 TRP A 56 -4.672 6.057 8.144 1.00 0.00 C ATOM 845 NE1 TRP A 56 -5.072 5.777 10.331 1.00 0.00 N ATOM 846 CE2 TRP A 56 -5.290 5.224 9.097 1.00 0.00 C ATOM 847 CE3 TRP A 56 -4.751 5.710 6.793 1.00 0.00 C ATOM 848 CZ2 TRP A 56 -5.976 4.066 8.739 1.00 0.00 C ATOM 849 CZ3 TRP A 56 -5.431 4.560 6.440 1.00 0.00 C ATOM 850 CH2 TRP A 56 -6.037 3.750 7.409 1.00 0.00 C ATOM 0 H TRP A 56 -2.346 10.442 7.524 1.00 0.00 H new ATOM 0 HA TRP A 56 -4.857 9.174 7.093 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -2.762 7.934 7.387 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -2.544 8.611 8.989 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -4.021 7.571 10.988 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.401 5.396 11.218 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -4.289 6.329 6.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -6.443 3.440 9.485 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -5.496 4.281 5.399 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -6.563 2.859 7.100 1.00 0.00 H new ATOM 861 N LYS A 57 -4.509 10.946 9.785 1.00 0.00 N ATOM 862 CA LYS A 57 -5.201 11.474 10.956 1.00 0.00 C ATOM 863 C LYS A 57 -6.240 12.514 10.550 1.00 0.00 C ATOM 864 O LYS A 57 -7.271 12.665 11.206 1.00 0.00 O ATOM 865 CB LYS A 57 -4.197 12.093 11.931 1.00 0.00 C ATOM 866 CG LYS A 57 -2.978 11.222 12.183 1.00 0.00 C ATOM 867 CD LYS A 57 -2.232 11.657 13.433 1.00 0.00 C ATOM 868 CE LYS A 57 -1.727 13.086 13.312 1.00 0.00 C ATOM 869 NZ LYS A 57 -2.668 14.061 13.930 1.00 0.00 N ATOM 0 H LYS A 57 -3.637 11.425 9.560 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.713 10.647 11.448 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -3.870 13.057 11.540 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.697 12.287 12.880 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.288 10.182 12.286 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.310 11.272 11.323 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.890 11.575 14.298 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.391 10.986 13.608 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.752 13.168 13.792 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.587 13.334 12.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.150 14.922 14.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.414 14.303 13.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.098 13.639 14.778 1.00 0.00 H new ATOM 883 N LYS A 58 -5.964 13.229 9.465 1.00 0.00 N ATOM 884 CA LYS A 58 -6.875 14.253 8.970 1.00 0.00 C ATOM 885 C LYS A 58 -8.050 13.624 8.228 1.00 0.00 C ATOM 886 O LYS A 58 -9.163 14.148 8.251 1.00 0.00 O ATOM 887 CB LYS A 58 -6.134 15.221 8.045 1.00 0.00 C ATOM 888 CG LYS A 58 -6.022 16.629 8.602 1.00 0.00 C ATOM 889 CD LYS A 58 -4.852 17.381 7.987 1.00 0.00 C ATOM 890 CE LYS A 58 -5.322 18.407 6.968 1.00 0.00 C ATOM 891 NZ LYS A 58 -4.350 18.565 5.851 1.00 0.00 N ATOM 0 H LYS A 58 -5.115 13.118 8.911 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.262 14.804 9.827 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.133 14.834 7.855 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -6.649 15.259 7.085 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.947 17.172 8.409 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.899 16.584 9.684 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.286 17.881 8.773 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -4.176 16.674 7.507 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.289 18.104 6.567 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.468 19.368 7.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.707 19.273 5.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.434 18.879 6.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.230 17.654 5.364 1.00 0.00 H new ATOM 905 N MET A 59 -7.795 12.496 7.573 1.00 0.00 N ATOM 906 CA MET A 59 -8.833 11.795 6.827 1.00 0.00 C ATOM 907 C MET A 59 -10.040 11.507 7.714 1.00 0.00 C ATOM 908 O MET A 59 -10.006 11.744 8.922 1.00 0.00 O ATOM 909 CB MET A 59 -8.283 10.487 6.253 1.00 0.00 C ATOM 910 CG MET A 59 -7.711 10.631 4.852 1.00 0.00 C ATOM 911 SD MET A 59 -7.486 9.043 4.028 1.00 0.00 S ATOM 912 CE MET A 59 -6.319 8.251 5.131 1.00 0.00 C ATOM 0 H MET A 59 -6.879 12.048 7.544 1.00 0.00 H new ATOM 0 HA MET A 59 -9.153 12.438 6.007 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.506 10.107 6.916 1.00 0.00 H new ATOM 0 HB3 MET A 59 -9.080 9.744 6.237 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.376 11.255 4.255 1.00 0.00 H new ATOM 0 HG3 MET A 59 -6.752 11.147 4.906 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.094 7.249 4.764 1.00 0.00 H new ATOM 0 HE2 MET A 59 -5.401 8.837 5.171 1.00 0.00 H new ATOM 0 HE3 MET A 59 -6.751 8.183 6.130 1.00 0.00 H new ATOM 922 N LYS A 60 -11.105 10.995 7.108 1.00 0.00 N ATOM 923 CA LYS A 60 -12.323 10.673 7.843 1.00 0.00 C ATOM 924 C LYS A 60 -12.398 9.180 8.145 1.00 0.00 C ATOM 925 O LYS A 60 -11.449 8.438 7.895 1.00 0.00 O ATOM 926 CB LYS A 60 -13.554 11.105 7.043 1.00 0.00 C ATOM 927 CG LYS A 60 -13.553 12.577 6.672 1.00 0.00 C ATOM 928 CD LYS A 60 -14.273 13.416 7.714 1.00 0.00 C ATOM 929 CE LYS A 60 -14.167 14.901 7.405 1.00 0.00 C ATOM 930 NZ LYS A 60 -15.205 15.693 8.122 1.00 0.00 N ATOM 0 H LYS A 60 -11.150 10.794 6.109 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.302 11.216 8.788 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.612 10.510 6.132 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.450 10.886 7.624 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.526 12.926 6.569 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -14.033 12.709 5.702 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.323 13.126 7.754 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.850 13.217 8.699 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.177 15.261 7.686 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -14.269 15.057 6.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -15.099 16.700 7.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -16.150 15.367 7.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -15.092 15.565 9.148 1.00 0.00 H new ATOM 944 N ASN A 61 -13.533 8.746 8.683 1.00 0.00 N ATOM 945 CA ASN A 61 -13.731 7.341 9.019 1.00 0.00 C ATOM 946 C ASN A 61 -13.862 6.493 7.757 1.00 0.00 C ATOM 947 O ASN A 61 -13.253 5.430 7.646 1.00 0.00 O ATOM 948 CB ASN A 61 -14.978 7.174 9.889 1.00 0.00 C ATOM 949 CG ASN A 61 -16.234 7.677 9.204 1.00 0.00 C ATOM 950 OD1 ASN A 61 -16.378 8.873 8.948 1.00 0.00 O ATOM 951 ND2 ASN A 61 -17.150 6.764 8.904 1.00 0.00 N ATOM 0 H ASN A 61 -14.329 9.347 8.896 1.00 0.00 H new ATOM 0 HA ASN A 61 -12.858 7.000 9.576 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -15.103 6.121 10.142 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.838 7.713 10.826 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -18.016 7.043 8.442 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -16.988 5.784 9.135 1.00 0.00 H new ATOM 958 N GLU A 62 -14.660 6.973 6.808 1.00 0.00 N ATOM 959 CA GLU A 62 -14.870 6.259 5.554 1.00 0.00 C ATOM 960 C GLU A 62 -13.622 6.321 4.677 1.00 0.00 C ATOM 961 O GLU A 62 -13.289 5.359 3.986 1.00 0.00 O ATOM 962 CB GLU A 62 -16.065 6.847 4.801 1.00 0.00 C ATOM 963 CG GLU A 62 -15.874 8.298 4.393 1.00 0.00 C ATOM 964 CD GLU A 62 -17.121 8.899 3.773 1.00 0.00 C ATOM 965 OE1 GLU A 62 -17.282 8.790 2.540 1.00 0.00 O ATOM 966 OE2 GLU A 62 -17.935 9.478 4.523 1.00 0.00 O ATOM 0 H GLU A 62 -15.171 7.852 6.884 1.00 0.00 H new ATOM 0 HA GLU A 62 -15.076 5.215 5.790 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.251 6.249 3.909 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -16.953 6.769 5.428 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -15.590 8.883 5.268 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -15.050 8.366 3.682 1.00 0.00 H new ATOM 973 N GLU A 63 -12.937 7.460 4.712 1.00 0.00 N ATOM 974 CA GLU A 63 -11.728 7.647 3.919 1.00 0.00 C ATOM 975 C GLU A 63 -10.689 6.580 4.252 1.00 0.00 C ATOM 976 O GLU A 63 -9.829 6.259 3.431 1.00 0.00 O ATOM 977 CB GLU A 63 -11.141 9.039 4.164 1.00 0.00 C ATOM 978 CG GLU A 63 -12.099 10.171 3.829 1.00 0.00 C ATOM 979 CD GLU A 63 -12.227 10.403 2.336 1.00 0.00 C ATOM 980 OE1 GLU A 63 -12.916 9.603 1.669 1.00 0.00 O ATOM 981 OE2 GLU A 63 -11.640 11.385 1.836 1.00 0.00 O ATOM 0 H GLU A 63 -13.198 8.266 5.280 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.996 7.553 2.867 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -10.847 9.121 5.210 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.235 9.152 3.568 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.082 9.945 4.244 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -11.754 11.088 4.307 1.00 0.00 H new ATOM 988 N ARG A 64 -10.774 6.036 5.461 1.00 0.00 N ATOM 989 CA ARG A 64 -9.841 5.007 5.904 1.00 0.00 C ATOM 990 C ARG A 64 -10.440 3.615 5.722 1.00 0.00 C ATOM 991 O ARG A 64 -9.715 2.629 5.586 1.00 0.00 O ATOM 992 CB ARG A 64 -9.467 5.225 7.371 1.00 0.00 C ATOM 993 CG ARG A 64 -8.727 6.528 7.623 1.00 0.00 C ATOM 994 CD ARG A 64 -8.628 6.833 9.110 1.00 0.00 C ATOM 995 NE ARG A 64 -8.577 8.269 9.371 1.00 0.00 N ATOM 996 CZ ARG A 64 -8.686 8.800 10.584 1.00 0.00 C ATOM 997 NH1 ARG A 64 -8.851 8.017 11.641 1.00 0.00 N ATOM 998 NH2 ARG A 64 -8.630 10.116 10.741 1.00 0.00 N ATOM 0 H ARG A 64 -11.480 6.291 6.152 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.942 5.080 5.292 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -10.374 5.210 7.975 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.847 4.394 7.707 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.726 6.468 7.195 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.242 7.344 7.116 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.485 6.401 9.627 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.736 6.358 9.519 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.451 8.899 8.579 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.894 7.005 11.524 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.934 8.427 12.571 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -8.503 10.721 9.930 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -8.714 10.522 11.673 1.00 0.00 H new ATOM 1012 N ARG A 65 -11.767 3.544 5.720 1.00 0.00 N ATOM 1013 CA ARG A 65 -12.464 2.273 5.557 1.00 0.00 C ATOM 1014 C ARG A 65 -11.959 1.532 4.322 1.00 0.00 C ATOM 1015 O ARG A 65 -11.814 0.310 4.337 1.00 0.00 O ATOM 1016 CB ARG A 65 -13.972 2.505 5.445 1.00 0.00 C ATOM 1017 CG ARG A 65 -14.802 1.269 5.752 1.00 0.00 C ATOM 1018 CD ARG A 65 -16.287 1.592 5.792 1.00 0.00 C ATOM 1019 NE ARG A 65 -17.106 0.455 5.380 1.00 0.00 N ATOM 1020 CZ ARG A 65 -17.331 0.133 4.111 1.00 0.00 C ATOM 1021 NH1 ARG A 65 -16.801 0.859 3.136 1.00 0.00 N ATOM 1022 NH2 ARG A 65 -18.087 -0.916 3.814 1.00 0.00 N ATOM 0 H ARG A 65 -12.381 4.351 5.829 1.00 0.00 H new ATOM 0 HA ARG A 65 -12.262 1.660 6.436 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -14.260 3.305 6.128 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.205 2.847 4.437 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -14.615 0.506 4.996 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -14.493 0.851 6.710 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -16.566 1.892 6.802 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -16.491 2.441 5.140 1.00 0.00 H new ATOM 0 HE ARG A 65 -17.528 -0.123 6.106 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -16.219 1.666 3.360 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -16.975 0.610 2.162 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -18.497 -1.477 4.561 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -18.258 -1.161 2.839 1.00 0.00 H new ATOM 1036 N MET A 66 -11.695 2.279 3.256 1.00 0.00 N ATOM 1037 CA MET A 66 -11.206 1.693 2.014 1.00 0.00 C ATOM 1038 C MET A 66 -9.992 0.805 2.272 1.00 0.00 C ATOM 1039 O MET A 66 -9.785 -0.195 1.585 1.00 0.00 O ATOM 1040 CB MET A 66 -10.845 2.792 1.013 1.00 0.00 C ATOM 1041 CG MET A 66 -9.798 3.765 1.530 1.00 0.00 C ATOM 1042 SD MET A 66 -9.659 5.244 0.508 1.00 0.00 S ATOM 1043 CE MET A 66 -11.292 5.952 0.714 1.00 0.00 C ATOM 0 H MET A 66 -11.811 3.292 3.227 1.00 0.00 H new ATOM 0 HA MET A 66 -12.002 1.077 1.595 1.00 0.00 H new ATOM 0 HB2 MET A 66 -10.479 2.331 0.096 1.00 0.00 H new ATOM 0 HB3 MET A 66 -11.747 3.346 0.753 1.00 0.00 H new ATOM 0 HG2 MET A 66 -10.050 4.055 2.550 1.00 0.00 H new ATOM 0 HG3 MET A 66 -8.831 3.264 1.571 1.00 0.00 H new ATOM 0 HE1 MET A 66 -11.217 7.039 0.736 1.00 0.00 H new ATOM 0 HE2 MET A 66 -11.928 5.649 -0.118 1.00 0.00 H new ATOM 0 HE3 MET A 66 -11.726 5.599 1.649 1.00 0.00 H new ATOM 1053 N TYR A 67 -9.193 1.179 3.265 1.00 0.00 N ATOM 1054 CA TYR A 67 -7.999 0.418 3.612 1.00 0.00 C ATOM 1055 C TYR A 67 -8.283 -0.552 4.755 1.00 0.00 C ATOM 1056 O TYR A 67 -7.721 -1.646 4.812 1.00 0.00 O ATOM 1057 CB TYR A 67 -6.862 1.364 4.002 1.00 0.00 C ATOM 1058 CG TYR A 67 -6.699 2.536 3.060 1.00 0.00 C ATOM 1059 CD1 TYR A 67 -6.119 2.370 1.808 1.00 0.00 C ATOM 1060 CD2 TYR A 67 -7.124 3.808 3.422 1.00 0.00 C ATOM 1061 CE1 TYR A 67 -5.968 3.438 0.944 1.00 0.00 C ATOM 1062 CE2 TYR A 67 -6.978 4.881 2.564 1.00 0.00 C ATOM 1063 CZ TYR A 67 -6.399 4.691 1.327 1.00 0.00 C ATOM 1064 OH TYR A 67 -6.251 5.757 0.470 1.00 0.00 O ATOM 0 H TYR A 67 -9.350 2.004 3.844 1.00 0.00 H new ATOM 0 HA TYR A 67 -7.700 -0.159 2.737 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -7.043 1.740 5.009 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.928 0.802 4.035 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.781 1.390 1.505 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -7.576 3.961 4.391 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -5.515 3.292 -0.026 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -7.315 5.863 2.860 1.00 0.00 H new ATOM 0 HH TYR A 67 -7.129 6.027 0.128 1.00 0.00 H new ATOM 1074 N THR A 68 -9.161 -0.142 5.665 1.00 0.00 N ATOM 1075 CA THR A 68 -9.521 -0.972 6.808 1.00 0.00 C ATOM 1076 C THR A 68 -9.985 -2.354 6.359 1.00 0.00 C ATOM 1077 O THR A 68 -9.360 -3.365 6.682 1.00 0.00 O ATOM 1078 CB THR A 68 -10.633 -0.318 7.650 1.00 0.00 C ATOM 1079 OG1 THR A 68 -10.437 1.099 7.703 1.00 0.00 O ATOM 1080 CG2 THR A 68 -10.648 -0.886 9.061 1.00 0.00 C ATOM 0 H THR A 68 -9.636 0.760 5.633 1.00 0.00 H new ATOM 0 HA THR A 68 -8.625 -1.073 7.420 1.00 0.00 H new ATOM 0 HB THR A 68 -11.591 -0.535 7.178 1.00 0.00 H new ATOM 0 HG1 THR A 68 -11.149 1.508 8.238 1.00 0.00 H new ATOM 0 HG21 THR A 68 -11.441 -0.409 9.637 1.00 0.00 H new ATOM 0 HG22 THR A 68 -10.826 -1.961 9.019 1.00 0.00 H new ATOM 0 HG23 THR A 68 -9.688 -0.696 9.540 1.00 0.00 H new ATOM 1088 N LEU A 69 -11.083 -2.390 5.613 1.00 0.00 N ATOM 1089 CA LEU A 69 -11.631 -3.649 5.119 1.00 0.00 C ATOM 1090 C LEU A 69 -10.632 -4.357 4.208 1.00 0.00 C ATOM 1091 O LEU A 69 -10.412 -5.561 4.332 1.00 0.00 O ATOM 1092 CB LEU A 69 -12.937 -3.397 4.364 1.00 0.00 C ATOM 1093 CG LEU A 69 -14.153 -3.049 5.224 1.00 0.00 C ATOM 1094 CD1 LEU A 69 -15.099 -2.132 4.465 1.00 0.00 C ATOM 1095 CD2 LEU A 69 -14.874 -4.315 5.665 1.00 0.00 C ATOM 0 H LEU A 69 -11.612 -1.563 5.337 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.832 -4.292 5.976 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.773 -2.584 3.656 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.173 -4.286 3.780 1.00 0.00 H new ATOM 0 HG LEU A 69 -13.806 -2.523 6.114 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -15.958 -1.895 5.093 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -14.579 -1.212 4.200 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -15.439 -2.631 3.558 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -15.736 -4.048 6.276 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -15.208 -4.868 4.787 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -14.194 -4.936 6.248 1.00 0.00 H new ATOM 1107 N GLU A 70 -10.031 -3.599 3.296 1.00 0.00 N ATOM 1108 CA GLU A 70 -9.055 -4.155 2.366 1.00 0.00 C ATOM 1109 C GLU A 70 -7.972 -4.930 3.112 1.00 0.00 C ATOM 1110 O GLU A 70 -7.791 -6.128 2.897 1.00 0.00 O ATOM 1111 CB GLU A 70 -8.418 -3.041 1.533 1.00 0.00 C ATOM 1112 CG GLU A 70 -7.640 -3.548 0.331 1.00 0.00 C ATOM 1113 CD GLU A 70 -8.518 -4.279 -0.666 1.00 0.00 C ATOM 1114 OE1 GLU A 70 -9.078 -3.613 -1.562 1.00 0.00 O ATOM 1115 OE2 GLU A 70 -8.645 -5.515 -0.550 1.00 0.00 O ATOM 0 H GLU A 70 -10.202 -2.600 3.181 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.577 -4.843 1.701 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.200 -2.364 1.190 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.750 -2.460 2.169 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.156 -2.707 -0.165 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.848 -4.216 0.671 1.00 0.00 H new ATOM 1122 N ALA A 71 -7.255 -4.236 3.990 1.00 0.00 N ATOM 1123 CA ALA A 71 -6.192 -4.857 4.769 1.00 0.00 C ATOM 1124 C ALA A 71 -6.732 -6.000 5.622 1.00 0.00 C ATOM 1125 O ALA A 71 -6.004 -6.933 5.962 1.00 0.00 O ATOM 1126 CB ALA A 71 -5.505 -3.821 5.646 1.00 0.00 C ATOM 0 H ALA A 71 -7.392 -3.243 4.179 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.461 -5.271 4.074 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.713 -4.300 6.222 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.076 -3.040 5.018 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -6.233 -3.380 6.327 1.00 0.00 H new ATOM 1132 N LYS A 72 -8.013 -5.922 5.965 1.00 0.00 N ATOM 1133 CA LYS A 72 -8.652 -6.949 6.778 1.00 0.00 C ATOM 1134 C LYS A 72 -8.647 -8.294 6.058 1.00 0.00 C ATOM 1135 O LYS A 72 -8.101 -9.276 6.561 1.00 0.00 O ATOM 1136 CB LYS A 72 -10.089 -6.544 7.112 1.00 0.00 C ATOM 1137 CG LYS A 72 -10.650 -7.244 8.338 1.00 0.00 C ATOM 1138 CD LYS A 72 -12.152 -7.049 8.454 1.00 0.00 C ATOM 1139 CE LYS A 72 -12.496 -5.661 8.972 1.00 0.00 C ATOM 1140 NZ LYS A 72 -12.213 -5.526 10.428 1.00 0.00 N ATOM 0 H LYS A 72 -8.630 -5.157 5.692 1.00 0.00 H new ATOM 0 HA LYS A 72 -8.085 -7.049 7.703 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.126 -5.466 7.271 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -10.727 -6.762 6.256 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.424 -8.309 8.285 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.162 -6.858 9.233 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -12.616 -7.200 7.479 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -12.567 -7.802 9.124 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.924 -4.915 8.420 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -13.550 -5.455 8.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.629 -4.641 10.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.628 -6.332 10.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.185 -5.511 10.582 1.00 0.00 H new