USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 581 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 ASN : amide:sc= -1.51 K(o=-2,f=-5.1!) USER MOD Set 1.2: A 56 TYR OH : rot 180:sc= -0.441 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 81:sc= 0.943 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.414 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot -80:sc= 1.25 USER MOD Single : A 57 CYS SG : rot 12:sc= -2.22! USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 78:sc= 0.428 USER MOD Single : A 79 THR OG1 : rot -41:sc= 0.825 USER MOD Single : A 80 LYS NZ :NH3+ -165:sc= -0.0405 (180deg=-0.577) USER MOD Single : A 81 THR OG1 : rot -140:sc= -0.342 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 298 N ALA A 25 48.086 2.364 27.670 1.00 43.32 N ATOM 299 CA ALA A 25 47.241 3.473 27.245 1.00 10.35 C ATOM 300 C ALA A 25 45.779 3.048 27.160 1.00 1.05 C ATOM 301 O ALA A 25 45.471 1.857 27.088 1.00 3.52 O ATOM 302 CB ALA A 25 47.714 4.015 25.904 1.00 21.55 C ATOM 0 HA ALA A 25 47.320 4.263 27.991 1.00 10.35 H new ATOM 0 HB1 ALA A 25 47.073 4.843 25.600 1.00 21.55 H new ATOM 0 HB2 ALA A 25 48.742 4.366 25.996 1.00 21.55 H new ATOM 0 HB3 ALA A 25 47.666 3.225 25.155 1.00 21.55 H new ATOM 308 N LEU A 26 44.881 4.027 27.170 1.00 5.33 N ATOM 309 CA LEU A 26 43.450 3.754 27.095 1.00 44.21 C ATOM 310 C LEU A 26 42.811 4.516 25.939 1.00 51.04 C ATOM 311 O LEU A 26 43.160 5.666 25.670 1.00 63.52 O ATOM 312 CB LEU A 26 42.769 4.135 28.410 1.00 34.44 C ATOM 313 CG LEU A 26 42.690 3.034 29.468 1.00 35.54 C ATOM 314 CD1 LEU A 26 41.802 1.895 28.989 1.00 0.40 C ATOM 315 CD2 LEU A 26 44.081 2.520 29.809 1.00 40.21 C ATOM 0 H LEU A 26 45.119 5.017 27.229 1.00 5.33 H new ATOM 0 HA LEU A 26 43.317 2.686 26.920 1.00 44.21 H new ATOM 0 HB2 LEU A 26 43.300 4.985 28.838 1.00 34.44 H new ATOM 0 HB3 LEU A 26 41.756 4.471 28.188 1.00 34.44 H new ATOM 0 HG LEU A 26 42.249 3.457 30.371 1.00 35.54 H new ATOM 0 HD11 LEU A 26 41.758 1.121 29.755 1.00 0.40 H new ATOM 0 HD12 LEU A 26 40.798 2.273 28.797 1.00 0.40 H new ATOM 0 HD13 LEU A 26 42.213 1.474 28.071 1.00 0.40 H new ATOM 0 HD21 LEU A 26 44.005 1.737 30.564 1.00 40.21 H new ATOM 0 HD22 LEU A 26 44.549 2.115 28.912 1.00 40.21 H new ATOM 0 HD23 LEU A 26 44.687 3.339 30.196 1.00 40.21 H new ATOM 327 N VAL A 27 41.870 3.868 25.258 1.00 3.41 N ATOM 328 CA VAL A 27 41.179 4.486 24.133 1.00 60.34 C ATOM 329 C VAL A 27 39.668 4.451 24.330 1.00 73.11 C ATOM 330 O VAL A 27 39.106 3.429 24.725 1.00 45.50 O ATOM 331 CB VAL A 27 41.529 3.785 22.806 1.00 32.14 C ATOM 332 CG1 VAL A 27 41.382 2.277 22.944 1.00 40.20 C ATOM 333 CG2 VAL A 27 40.655 4.313 21.679 1.00 43.24 C ATOM 0 H VAL A 27 41.569 2.916 25.466 1.00 3.41 H new ATOM 0 HA VAL A 27 41.513 5.523 24.087 1.00 60.34 H new ATOM 0 HB VAL A 27 42.569 4.004 22.562 1.00 32.14 H new ATOM 0 HG11 VAL A 27 41.633 1.799 21.997 1.00 40.20 H new ATOM 0 HG12 VAL A 27 42.054 1.916 23.723 1.00 40.20 H new ATOM 0 HG13 VAL A 27 40.353 2.035 23.211 1.00 40.20 H new ATOM 0 HG21 VAL A 27 40.915 3.807 20.749 1.00 43.24 H new ATOM 0 HG22 VAL A 27 39.607 4.125 21.913 1.00 43.24 H new ATOM 0 HG23 VAL A 27 40.815 5.385 21.566 1.00 43.24 H new ATOM 343 N ALA A 28 39.014 5.574 24.052 1.00 42.15 N ATOM 344 CA ALA A 28 37.567 5.672 24.196 1.00 60.31 C ATOM 345 C ALA A 28 36.869 5.515 22.849 1.00 22.11 C ATOM 346 O ALA A 28 37.270 6.123 21.856 1.00 21.43 O ATOM 347 CB ALA A 28 37.189 6.999 24.837 1.00 31.41 C ATOM 0 H ALA A 28 39.464 6.429 23.726 1.00 42.15 H new ATOM 0 HA ALA A 28 37.236 4.861 24.844 1.00 60.31 H new ATOM 0 HB1 ALA A 28 36.105 7.059 24.938 1.00 31.41 H new ATOM 0 HB2 ALA A 28 37.650 7.072 25.822 1.00 31.41 H new ATOM 0 HB3 ALA A 28 37.540 7.819 24.210 1.00 31.41 H new ATOM 353 N VAL A 29 35.823 4.695 22.822 1.00 50.34 N ATOM 354 CA VAL A 29 35.069 4.459 21.596 1.00 31.14 C ATOM 355 C VAL A 29 33.597 4.809 21.781 1.00 34.41 C ATOM 356 O VAL A 29 33.049 4.681 22.876 1.00 20.24 O ATOM 357 CB VAL A 29 35.184 2.992 21.141 1.00 54.01 C ATOM 358 CG1 VAL A 29 34.498 2.795 19.798 1.00 73.43 C ATOM 359 CG2 VAL A 29 36.643 2.569 21.071 1.00 61.02 C ATOM 0 H VAL A 29 35.479 4.183 23.634 1.00 50.34 H new ATOM 0 HA VAL A 29 35.499 5.104 20.830 1.00 31.14 H new ATOM 0 HB VAL A 29 34.682 2.361 21.875 1.00 54.01 H new ATOM 0 HG11 VAL A 29 34.589 1.753 19.492 1.00 73.43 H new ATOM 0 HG12 VAL A 29 33.443 3.056 19.886 1.00 73.43 H new ATOM 0 HG13 VAL A 29 34.969 3.435 19.052 1.00 73.43 H new ATOM 0 HG21 VAL A 29 36.705 1.530 20.748 1.00 61.02 H new ATOM 0 HG22 VAL A 29 37.172 3.203 20.359 1.00 61.02 H new ATOM 0 HG23 VAL A 29 37.099 2.671 22.056 1.00 61.02 H new ATOM 369 N LYS A 30 32.959 5.251 20.702 1.00 23.51 N ATOM 370 CA LYS A 30 31.549 5.618 20.743 1.00 72.32 C ATOM 371 C LYS A 30 30.821 5.122 19.497 1.00 24.32 C ATOM 372 O LYS A 30 31.044 5.623 18.395 1.00 11.11 O ATOM 373 CB LYS A 30 31.399 7.136 20.863 1.00 21.01 C ATOM 374 CG LYS A 30 32.217 7.910 19.844 1.00 11.40 C ATOM 375 CD LYS A 30 33.177 8.876 20.518 1.00 44.14 C ATOM 376 CE LYS A 30 32.554 10.253 20.689 1.00 5.03 C ATOM 377 NZ LYS A 30 32.986 10.903 21.958 1.00 72.31 N ATOM 0 H LYS A 30 33.397 5.364 19.788 1.00 23.51 H new ATOM 0 HA LYS A 30 31.102 5.144 21.617 1.00 72.32 H new ATOM 0 HB2 LYS A 30 30.348 7.399 20.748 1.00 21.01 H new ATOM 0 HB3 LYS A 30 31.697 7.444 21.865 1.00 21.01 H new ATOM 0 HG2 LYS A 30 32.778 7.213 19.221 1.00 11.40 H new ATOM 0 HG3 LYS A 30 31.549 8.462 19.183 1.00 11.40 H new ATOM 0 HD2 LYS A 30 33.466 8.483 21.493 1.00 44.14 H new ATOM 0 HD3 LYS A 30 34.088 8.959 19.925 1.00 44.14 H new ATOM 0 HE2 LYS A 30 32.831 10.884 19.845 1.00 5.03 H new ATOM 0 HE3 LYS A 30 31.468 10.164 20.678 1.00 5.03 H new ATOM 0 HZ1 LYS A 30 32.540 11.839 22.038 1.00 72.31 H new ATOM 0 HZ2 LYS A 30 32.700 10.313 22.765 1.00 72.31 H new ATOM 0 HZ3 LYS A 30 34.020 11.011 21.958 1.00 72.31 H new ATOM 391 N VAL A 31 29.950 4.135 19.680 1.00 71.30 N ATOM 392 CA VAL A 31 29.188 3.573 18.571 1.00 34.13 C ATOM 393 C VAL A 31 27.816 4.230 18.459 1.00 65.35 C ATOM 394 O VAL A 31 27.028 4.213 19.404 1.00 23.20 O ATOM 395 CB VAL A 31 29.005 2.052 18.730 1.00 74.21 C ATOM 396 CG1 VAL A 31 28.361 1.728 20.069 1.00 12.15 C ATOM 397 CG2 VAL A 31 28.177 1.493 17.582 1.00 21.34 C ATOM 0 H VAL A 31 29.754 3.708 20.585 1.00 71.30 H new ATOM 0 HA VAL A 31 29.758 3.770 17.663 1.00 34.13 H new ATOM 0 HB VAL A 31 29.987 1.581 18.703 1.00 74.21 H new ATOM 0 HG11 VAL A 31 28.240 0.649 20.163 1.00 12.15 H new ATOM 0 HG12 VAL A 31 28.996 2.093 20.876 1.00 12.15 H new ATOM 0 HG13 VAL A 31 27.385 2.209 20.129 1.00 12.15 H new ATOM 0 HG21 VAL A 31 28.057 0.417 17.710 1.00 21.34 H new ATOM 0 HG22 VAL A 31 27.196 1.969 17.575 1.00 21.34 H new ATOM 0 HG23 VAL A 31 28.683 1.692 16.638 1.00 21.34 H new ATOM 407 N VAL A 32 27.537 4.808 17.295 1.00 44.23 N ATOM 408 CA VAL A 32 26.260 5.470 17.057 1.00 62.13 C ATOM 409 C VAL A 32 25.493 4.793 15.926 1.00 11.24 C ATOM 410 O VAL A 32 26.084 4.152 15.059 1.00 73.33 O ATOM 411 CB VAL A 32 26.455 6.958 16.711 1.00 11.21 C ATOM 412 CG1 VAL A 32 27.246 7.661 17.804 1.00 40.13 C ATOM 413 CG2 VAL A 32 27.144 7.106 15.363 1.00 24.12 C ATOM 0 H VAL A 32 28.178 4.831 16.502 1.00 44.23 H new ATOM 0 HA VAL A 32 25.686 5.392 17.980 1.00 62.13 H new ATOM 0 HB VAL A 32 25.474 7.429 16.645 1.00 11.21 H new ATOM 0 HG11 VAL A 32 27.374 8.711 17.542 1.00 40.13 H new ATOM 0 HG12 VAL A 32 26.708 7.585 18.749 1.00 40.13 H new ATOM 0 HG13 VAL A 32 28.224 7.191 17.905 1.00 40.13 H new ATOM 0 HG21 VAL A 32 27.274 8.164 15.135 1.00 24.12 H new ATOM 0 HG22 VAL A 32 28.119 6.620 15.398 1.00 24.12 H new ATOM 0 HG23 VAL A 32 26.534 6.640 14.589 1.00 24.12 H new ATOM 423 N ASN A 33 24.172 4.942 15.943 1.00 22.42 N ATOM 424 CA ASN A 33 23.323 4.344 14.919 1.00 11.51 C ATOM 425 C ASN A 33 22.368 5.380 14.333 1.00 35.31 C ATOM 426 O ASN A 33 22.010 6.354 14.995 1.00 73.43 O ATOM 427 CB ASN A 33 22.529 3.175 15.504 1.00 72.31 C ATOM 428 CG ASN A 33 23.412 1.991 15.848 1.00 61.24 C ATOM 429 OD1 ASN A 33 24.601 2.149 16.124 1.00 64.14 O ATOM 430 ND2 ASN A 33 22.832 0.796 15.832 1.00 44.10 N ATOM 0 H ASN A 33 23.667 5.471 16.654 1.00 22.42 H new ATOM 0 HA ASN A 33 23.965 3.974 14.120 1.00 11.51 H new ATOM 0 HB2 ASN A 33 22.006 3.507 16.401 1.00 72.31 H new ATOM 0 HB3 ASN A 33 21.768 2.862 14.789 1.00 72.31 H new ATOM 0 HD21 ASN A 33 23.376 -0.038 16.054 1.00 44.10 H new ATOM 0 HD22 ASN A 33 21.843 0.712 15.597 1.00 44.10 H new ATOM 437 N ALA A 34 21.958 5.161 13.088 1.00 70.11 N ATOM 438 CA ALA A 34 21.042 6.073 12.414 1.00 63.35 C ATOM 439 C ALA A 34 19.714 6.167 13.157 1.00 24.23 C ATOM 440 O ALA A 34 18.985 7.149 13.023 1.00 51.34 O ATOM 441 CB ALA A 34 20.815 5.625 10.977 1.00 15.42 C ATOM 0 H ALA A 34 22.246 4.360 12.526 1.00 70.11 H new ATOM 0 HA ALA A 34 21.495 7.065 12.407 1.00 63.35 H new ATOM 0 HB1 ALA A 34 20.129 6.315 10.485 1.00 15.42 H new ATOM 0 HB2 ALA A 34 21.766 5.617 10.444 1.00 15.42 H new ATOM 0 HB3 ALA A 34 20.387 4.622 10.972 1.00 15.42 H new ATOM 447 N ASP A 35 19.407 5.139 13.941 1.00 53.30 N ATOM 448 CA ASP A 35 18.166 5.106 14.707 1.00 50.43 C ATOM 449 C ASP A 35 18.290 5.940 15.979 1.00 61.54 C ATOM 450 O ASP A 35 17.294 6.421 16.517 1.00 23.01 O ATOM 451 CB ASP A 35 17.798 3.665 15.060 1.00 21.44 C ATOM 452 CG ASP A 35 16.351 3.342 14.744 1.00 61.14 C ATOM 453 OD1 ASP A 35 16.074 2.922 13.601 1.00 31.50 O ATOM 454 OD2 ASP A 35 15.496 3.511 15.638 1.00 74.41 O ATOM 0 H ASP A 35 20.000 4.318 14.063 1.00 53.30 H new ATOM 0 HA ASP A 35 17.375 5.533 14.090 1.00 50.43 H new ATOM 0 HB2 ASP A 35 18.447 2.983 14.512 1.00 21.44 H new ATOM 0 HB3 ASP A 35 17.981 3.496 16.121 1.00 21.44 H new ATOM 459 N GLY A 36 19.521 6.104 16.454 1.00 13.54 N ATOM 460 CA GLY A 36 19.752 6.878 17.660 1.00 44.51 C ATOM 461 C GLY A 36 20.510 6.096 18.714 1.00 12.35 C ATOM 462 O GLY A 36 21.360 6.647 19.414 1.00 70.53 O ATOM 0 H GLY A 36 20.361 5.715 16.026 1.00 13.54 H new ATOM 0 HA2 GLY A 36 20.311 7.779 17.408 1.00 44.51 H new ATOM 0 HA3 GLY A 36 18.795 7.201 18.070 1.00 44.51 H new ATOM 466 N ALA A 37 20.200 4.809 18.831 1.00 50.14 N ATOM 467 CA ALA A 37 20.858 3.950 19.807 1.00 11.13 C ATOM 468 C ALA A 37 22.375 4.056 19.698 1.00 62.04 C ATOM 469 O ALA A 37 22.950 3.786 18.644 1.00 62.22 O ATOM 470 CB ALA A 37 20.413 2.507 19.625 1.00 20.41 C ATOM 0 H ALA A 37 19.497 4.338 18.261 1.00 50.14 H new ATOM 0 HA ALA A 37 20.568 4.285 20.803 1.00 11.13 H new ATOM 0 HB1 ALA A 37 20.912 1.877 20.361 1.00 20.41 H new ATOM 0 HB2 ALA A 37 19.334 2.439 19.762 1.00 20.41 H new ATOM 0 HB3 ALA A 37 20.673 2.170 18.622 1.00 20.41 H new ATOM 476 N GLU A 38 23.017 4.451 20.793 1.00 41.35 N ATOM 477 CA GLU A 38 24.468 4.594 20.817 1.00 20.01 C ATOM 478 C GLU A 38 25.018 4.317 22.213 1.00 4.42 C ATOM 479 O GLU A 38 24.282 4.343 23.199 1.00 55.25 O ATOM 480 CB GLU A 38 24.872 5.999 20.367 1.00 43.42 C ATOM 481 CG GLU A 38 24.422 7.096 21.317 1.00 3.03 C ATOM 482 CD GLU A 38 24.074 8.385 20.598 1.00 22.21 C ATOM 483 OE1 GLU A 38 24.894 8.845 19.776 1.00 62.32 O ATOM 484 OE2 GLU A 38 22.983 8.934 20.857 1.00 30.53 O ATOM 0 H GLU A 38 22.556 4.677 21.674 1.00 41.35 H new ATOM 0 HA GLU A 38 24.891 3.864 20.127 1.00 20.01 H new ATOM 0 HB2 GLU A 38 25.956 6.041 20.265 1.00 43.42 H new ATOM 0 HB3 GLU A 38 24.451 6.190 19.380 1.00 43.42 H new ATOM 0 HG2 GLU A 38 23.553 6.752 21.878 1.00 3.03 H new ATOM 0 HG3 GLU A 38 25.213 7.291 22.042 1.00 3.03 H new ATOM 491 N MET A 39 26.319 4.052 22.289 1.00 54.55 N ATOM 492 CA MET A 39 26.968 3.772 23.564 1.00 62.44 C ATOM 493 C MET A 39 28.474 3.997 23.468 1.00 72.01 C ATOM 494 O MET A 39 29.101 3.648 22.468 1.00 64.22 O ATOM 495 CB MET A 39 26.683 2.333 24.000 1.00 52.22 C ATOM 496 CG MET A 39 27.013 1.299 22.936 1.00 21.32 C ATOM 497 SD MET A 39 26.410 -0.347 23.357 1.00 20.54 S ATOM 498 CE MET A 39 27.921 -1.128 23.920 1.00 52.11 C ATOM 0 H MET A 39 26.943 4.025 21.483 1.00 54.55 H new ATOM 0 HA MET A 39 26.562 4.457 24.308 1.00 62.44 H new ATOM 0 HB2 MET A 39 27.259 2.114 24.899 1.00 52.22 H new ATOM 0 HB3 MET A 39 25.630 2.245 24.267 1.00 52.22 H new ATOM 0 HG2 MET A 39 26.578 1.609 21.986 1.00 21.32 H new ATOM 0 HG3 MET A 39 28.093 1.261 22.794 1.00 21.32 H new ATOM 0 HE1 MET A 39 27.711 -2.156 24.216 1.00 52.11 H new ATOM 0 HE2 MET A 39 28.654 -1.126 23.113 1.00 52.11 H new ATOM 0 HE3 MET A 39 28.319 -0.578 24.773 1.00 52.11 H new ATOM 508 N PHE A 40 29.048 4.583 24.514 1.00 74.24 N ATOM 509 CA PHE A 40 30.480 4.856 24.546 1.00 33.14 C ATOM 510 C PHE A 40 31.129 4.210 25.767 1.00 72.53 C ATOM 511 O PHE A 40 30.517 4.111 26.831 1.00 52.35 O ATOM 512 CB PHE A 40 30.732 6.365 24.559 1.00 25.14 C ATOM 513 CG PHE A 40 30.255 7.042 25.812 1.00 22.24 C ATOM 514 CD1 PHE A 40 28.929 7.418 25.950 1.00 11.30 C ATOM 515 CD2 PHE A 40 31.133 7.302 26.852 1.00 0.23 C ATOM 516 CE1 PHE A 40 28.486 8.041 27.102 1.00 43.22 C ATOM 517 CE2 PHE A 40 30.696 7.924 28.007 1.00 41.35 C ATOM 518 CZ PHE A 40 29.371 8.295 28.131 1.00 5.30 C ATOM 0 H PHE A 40 28.544 4.878 25.350 1.00 74.24 H new ATOM 0 HA PHE A 40 30.927 4.427 23.649 1.00 33.14 H new ATOM 0 HB2 PHE A 40 31.800 6.548 24.441 1.00 25.14 H new ATOM 0 HB3 PHE A 40 30.235 6.816 23.700 1.00 25.14 H new ATOM 0 HD1 PHE A 40 28.233 7.222 25.148 1.00 11.30 H new ATOM 0 HD2 PHE A 40 32.170 7.016 26.759 1.00 0.23 H new ATOM 0 HE1 PHE A 40 27.449 8.329 27.197 1.00 43.22 H new ATOM 0 HE2 PHE A 40 31.390 8.120 28.811 1.00 41.35 H new ATOM 0 HZ PHE A 40 29.028 8.783 29.031 1.00 5.30 H new ATOM 528 N PHE A 41 32.372 3.770 25.605 1.00 62.54 N ATOM 529 CA PHE A 41 33.105 3.131 26.692 1.00 60.14 C ATOM 530 C PHE A 41 34.609 3.182 26.438 1.00 52.32 C ATOM 531 O PHE A 41 35.055 3.201 25.291 1.00 61.14 O ATOM 532 CB PHE A 41 32.653 1.678 26.855 1.00 4.10 C ATOM 533 CG PHE A 41 31.478 1.516 27.775 1.00 34.24 C ATOM 534 CD1 PHE A 41 31.586 1.827 29.121 1.00 1.11 C ATOM 535 CD2 PHE A 41 30.264 1.051 27.295 1.00 52.42 C ATOM 536 CE1 PHE A 41 30.506 1.679 29.971 1.00 51.23 C ATOM 537 CE2 PHE A 41 29.180 0.902 28.139 1.00 21.04 C ATOM 538 CZ PHE A 41 29.302 1.215 29.479 1.00 14.02 C ATOM 0 H PHE A 41 32.893 3.844 24.731 1.00 62.54 H new ATOM 0 HA PHE A 41 32.891 3.676 27.611 1.00 60.14 H new ATOM 0 HB2 PHE A 41 32.396 1.274 25.876 1.00 4.10 H new ATOM 0 HB3 PHE A 41 33.486 1.087 27.235 1.00 4.10 H new ATOM 0 HD1 PHE A 41 32.526 2.190 29.511 1.00 1.11 H new ATOM 0 HD2 PHE A 41 30.164 0.802 26.249 1.00 52.42 H new ATOM 0 HE1 PHE A 41 30.604 1.926 31.018 1.00 51.23 H new ATOM 0 HE2 PHE A 41 28.239 0.541 27.752 1.00 21.04 H new ATOM 0 HZ PHE A 41 28.457 1.097 30.141 1.00 14.02 H new ATOM 548 N ARG A 42 35.384 3.206 27.517 1.00 65.33 N ATOM 549 CA ARG A 42 36.838 3.257 27.412 1.00 73.12 C ATOM 550 C ARG A 42 37.452 1.891 27.704 1.00 3.24 C ATOM 551 O ARG A 42 37.071 1.221 28.665 1.00 44.23 O ATOM 552 CB ARG A 42 37.403 4.300 28.377 1.00 5.02 C ATOM 553 CG ARG A 42 36.714 5.652 28.286 1.00 63.33 C ATOM 554 CD ARG A 42 35.979 5.991 29.573 1.00 25.42 C ATOM 555 NE ARG A 42 34.629 5.435 29.595 1.00 21.03 N ATOM 556 CZ ARG A 42 33.810 5.536 30.636 1.00 54.22 C ATOM 557 NH1 ARG A 42 34.201 6.169 31.733 1.00 23.12 N ATOM 558 NH2 ARG A 42 32.595 5.004 30.580 1.00 43.32 N ATOM 0 H ARG A 42 35.030 3.191 28.474 1.00 65.33 H new ATOM 0 HA ARG A 42 37.095 3.540 26.391 1.00 73.12 H new ATOM 0 HB2 ARG A 42 37.314 3.925 29.397 1.00 5.02 H new ATOM 0 HB3 ARG A 42 38.466 4.430 28.176 1.00 5.02 H new ATOM 0 HG2 ARG A 42 37.453 6.425 28.074 1.00 63.33 H new ATOM 0 HG3 ARG A 42 36.010 5.647 27.454 1.00 63.33 H new ATOM 0 HD2 ARG A 42 36.543 5.608 30.424 1.00 25.42 H new ATOM 0 HD3 ARG A 42 35.927 7.074 29.686 1.00 25.42 H new ATOM 0 HE ARG A 42 34.297 4.942 28.766 1.00 21.03 H new ATOM 0 HH11 ARG A 42 35.133 6.580 31.780 1.00 23.12 H new ATOM 0 HH12 ARG A 42 33.570 6.245 32.531 1.00 23.12 H new ATOM 0 HH21 ARG A 42 32.290 4.517 29.737 1.00 43.32 H new ATOM 0 HH22 ARG A 42 31.967 5.082 31.380 1.00 43.32 H new ATOM 572 N ILE A 43 38.404 1.486 26.870 1.00 32.53 N ATOM 573 CA ILE A 43 39.071 0.201 27.040 1.00 31.31 C ATOM 574 C ILE A 43 40.400 0.168 26.293 1.00 0.53 C ATOM 575 O ILE A 43 40.741 1.104 25.569 1.00 3.15 O ATOM 576 CB ILE A 43 38.189 -0.961 26.546 1.00 31.20 C ATOM 577 CG1 ILE A 43 38.446 -2.217 27.382 1.00 13.53 C ATOM 578 CG2 ILE A 43 38.452 -1.236 25.073 1.00 31.50 C ATOM 579 CD1 ILE A 43 37.220 -2.716 28.115 1.00 40.41 C ATOM 0 H ILE A 43 38.731 2.029 26.070 1.00 32.53 H new ATOM 0 HA ILE A 43 39.254 0.080 28.108 1.00 31.31 H new ATOM 0 HB ILE A 43 37.143 -0.678 26.662 1.00 31.20 H new ATOM 0 HG12 ILE A 43 38.817 -3.008 26.730 1.00 13.53 H new ATOM 0 HG13 ILE A 43 39.232 -2.007 28.107 1.00 13.53 H new ATOM 0 HG21 ILE A 43 37.821 -2.060 24.738 1.00 31.50 H new ATOM 0 HG22 ILE A 43 38.223 -0.344 24.490 1.00 31.50 H new ATOM 0 HG23 ILE A 43 39.500 -1.502 24.934 1.00 31.50 H new ATOM 0 HD11 ILE A 43 37.476 -3.608 28.687 1.00 40.41 H new ATOM 0 HD12 ILE A 43 36.861 -1.941 28.793 1.00 40.41 H new ATOM 0 HD13 ILE A 43 36.439 -2.958 27.394 1.00 40.41 H new ATOM 591 N LYS A 44 41.147 -0.916 26.472 1.00 12.25 N ATOM 592 CA LYS A 44 42.438 -1.073 25.814 1.00 60.52 C ATOM 593 C LYS A 44 42.280 -1.061 24.297 1.00 60.33 C ATOM 594 O LYS A 44 41.354 -1.665 23.755 1.00 64.23 O ATOM 595 CB LYS A 44 43.104 -2.378 26.257 1.00 0.03 C ATOM 596 CG LYS A 44 43.442 -2.416 27.738 1.00 42.44 C ATOM 597 CD LYS A 44 44.790 -1.772 28.018 1.00 14.23 C ATOM 598 CE LYS A 44 45.413 -2.317 29.294 1.00 61.42 C ATOM 599 NZ LYS A 44 44.644 -1.915 30.504 1.00 75.15 N ATOM 0 H LYS A 44 40.880 -1.699 27.068 1.00 12.25 H new ATOM 0 HA LYS A 44 43.070 -0.233 26.103 1.00 60.52 H new ATOM 0 HB2 LYS A 44 42.442 -3.212 26.022 1.00 0.03 H new ATOM 0 HB3 LYS A 44 44.017 -2.524 25.680 1.00 0.03 H new ATOM 0 HG2 LYS A 44 42.666 -1.899 28.303 1.00 42.44 H new ATOM 0 HG3 LYS A 44 43.453 -3.450 28.084 1.00 42.44 H new ATOM 0 HD2 LYS A 44 45.462 -1.951 27.178 1.00 14.23 H new ATOM 0 HD3 LYS A 44 44.668 -0.692 28.104 1.00 14.23 H new ATOM 0 HE2 LYS A 44 45.460 -3.405 29.239 1.00 61.42 H new ATOM 0 HE3 LYS A 44 46.438 -1.957 29.380 1.00 61.42 H new ATOM 0 HZ1 LYS A 44 45.101 -2.307 31.352 1.00 75.15 H new ATOM 0 HZ2 LYS A 44 44.620 -0.877 30.571 1.00 75.15 H new ATOM 0 HZ3 LYS A 44 43.673 -2.280 30.435 1.00 75.15 H new ATOM 613 N SER A 45 43.190 -0.371 23.617 1.00 61.01 N ATOM 614 CA SER A 45 43.150 -0.279 22.162 1.00 10.32 C ATOM 615 C SER A 45 43.431 -1.636 21.524 1.00 55.32 C ATOM 616 O SER A 45 43.220 -1.826 20.326 1.00 53.11 O ATOM 617 CB SER A 45 44.168 0.751 21.667 1.00 33.31 C ATOM 618 OG SER A 45 45.142 0.145 20.835 1.00 53.34 O ATOM 0 H SER A 45 43.964 0.133 24.050 1.00 61.01 H new ATOM 0 HA SER A 45 42.149 0.040 21.870 1.00 10.32 H new ATOM 0 HB2 SER A 45 43.654 1.539 21.117 1.00 33.31 H new ATOM 0 HB3 SER A 45 44.656 1.223 22.519 1.00 33.31 H new ATOM 0 HG SER A 45 44.782 0.046 19.929 1.00 53.34 H new ATOM 624 N ARG A 46 43.907 -2.576 22.333 1.00 4.10 N ATOM 625 CA ARG A 46 44.218 -3.915 21.848 1.00 25.23 C ATOM 626 C ARG A 46 42.962 -4.779 21.793 1.00 53.13 C ATOM 627 O ARG A 46 43.023 -5.963 21.460 1.00 75.00 O ATOM 628 CB ARG A 46 45.265 -4.576 22.748 1.00 51.15 C ATOM 629 CG ARG A 46 46.634 -4.700 22.099 1.00 21.02 C ATOM 630 CD ARG A 46 47.263 -3.336 21.860 1.00 72.31 C ATOM 631 NE ARG A 46 48.705 -3.428 21.646 1.00 35.20 N ATOM 632 CZ ARG A 46 49.475 -2.381 21.375 1.00 45.04 C ATOM 633 NH1 ARG A 46 48.946 -1.169 21.285 1.00 55.00 N ATOM 634 NH2 ARG A 46 50.780 -2.545 21.193 1.00 74.02 N ATOM 0 H ARG A 46 44.086 -2.435 23.327 1.00 4.10 H new ATOM 0 HA ARG A 46 44.620 -3.824 20.839 1.00 25.23 H new ATOM 0 HB2 ARG A 46 45.359 -3.998 23.667 1.00 51.15 H new ATOM 0 HB3 ARG A 46 44.915 -5.569 23.030 1.00 51.15 H new ATOM 0 HG2 ARG A 46 47.287 -5.296 22.736 1.00 21.02 H new ATOM 0 HG3 ARG A 46 46.542 -5.230 21.151 1.00 21.02 H new ATOM 0 HD2 ARG A 46 46.797 -2.869 20.992 1.00 72.31 H new ATOM 0 HD3 ARG A 46 47.064 -2.690 22.715 1.00 72.31 H new ATOM 0 HE ARG A 46 49.144 -4.347 21.708 1.00 35.20 H new ATOM 0 HH11 ARG A 46 47.944 -1.038 21.424 1.00 55.00 H new ATOM 0 HH12 ARG A 46 49.541 -0.367 21.077 1.00 55.00 H new ATOM 0 HH21 ARG A 46 51.191 -3.476 21.261 1.00 74.02 H new ATOM 0 HH22 ARG A 46 51.371 -1.740 20.985 1.00 74.02 H new ATOM 648 N THR A 47 41.822 -4.178 22.122 1.00 61.44 N ATOM 649 CA THR A 47 40.551 -4.892 22.111 1.00 4.01 C ATOM 650 C THR A 47 39.399 -3.967 22.485 1.00 35.50 C ATOM 651 O THR A 47 39.220 -3.623 23.653 1.00 22.50 O ATOM 652 CB THR A 47 40.571 -6.088 23.081 1.00 32.14 C ATOM 653 OG1 THR A 47 41.684 -5.976 23.975 1.00 62.22 O ATOM 654 CG2 THR A 47 40.656 -7.402 22.319 1.00 12.12 C ATOM 0 H THR A 47 41.753 -3.199 22.399 1.00 61.44 H new ATOM 0 HA THR A 47 40.403 -5.260 21.096 1.00 4.01 H new ATOM 0 HB THR A 47 39.644 -6.078 23.654 1.00 32.14 H new ATOM 0 HG1 THR A 47 41.688 -6.740 24.589 1.00 62.22 H new ATOM 0 HG21 THR A 47 40.669 -8.232 23.025 1.00 12.12 H new ATOM 0 HG22 THR A 47 39.792 -7.498 21.662 1.00 12.12 H new ATOM 0 HG23 THR A 47 41.569 -7.419 21.723 1.00 12.12 H new ATOM 662 N ALA A 48 38.618 -3.569 21.486 1.00 12.11 N ATOM 663 CA ALA A 48 37.480 -2.686 21.711 1.00 31.23 C ATOM 664 C ALA A 48 36.386 -2.926 20.676 1.00 10.22 C ATOM 665 O ALA A 48 35.323 -3.461 20.994 1.00 70.02 O ATOM 666 CB ALA A 48 37.926 -1.232 21.683 1.00 4.02 C ATOM 0 H ALA A 48 38.753 -3.844 20.513 1.00 12.11 H new ATOM 0 HA ALA A 48 37.068 -2.909 22.695 1.00 31.23 H new ATOM 0 HB1 ALA A 48 37.066 -0.584 21.852 1.00 4.02 H new ATOM 0 HB2 ALA A 48 38.667 -1.064 22.465 1.00 4.02 H new ATOM 0 HB3 ALA A 48 38.366 -1.005 20.712 1.00 4.02 H new ATOM 672 N LEU A 49 36.652 -2.526 19.438 1.00 63.03 N ATOM 673 CA LEU A 49 35.690 -2.697 18.355 1.00 14.20 C ATOM 674 C LEU A 49 35.225 -4.147 18.263 1.00 44.23 C ATOM 675 O LEU A 49 34.092 -4.424 17.869 1.00 43.34 O ATOM 676 CB LEU A 49 36.306 -2.261 17.025 1.00 60.14 C ATOM 677 CG LEU A 49 35.622 -1.089 16.320 1.00 73.45 C ATOM 678 CD1 LEU A 49 34.120 -1.317 16.242 1.00 40.34 C ATOM 679 CD2 LEU A 49 35.929 0.217 17.036 1.00 13.34 C ATOM 0 H LEU A 49 37.526 -2.081 19.159 1.00 63.03 H new ATOM 0 HA LEU A 49 34.824 -2.070 18.569 1.00 14.20 H new ATOM 0 HB2 LEU A 49 37.348 -1.995 17.200 1.00 60.14 H new ATOM 0 HB3 LEU A 49 36.305 -3.116 16.349 1.00 60.14 H new ATOM 0 HG LEU A 49 36.012 -1.023 15.304 1.00 73.45 H new ATOM 0 HD11 LEU A 49 33.650 -0.473 15.737 1.00 40.34 H new ATOM 0 HD12 LEU A 49 33.919 -2.231 15.684 1.00 40.34 H new ATOM 0 HD13 LEU A 49 33.713 -1.410 17.249 1.00 40.34 H new ATOM 0 HD21 LEU A 49 35.434 1.040 16.520 1.00 13.34 H new ATOM 0 HD22 LEU A 49 35.568 0.163 18.063 1.00 13.34 H new ATOM 0 HD23 LEU A 49 37.006 0.386 17.039 1.00 13.34 H new ATOM 691 N LYS A 50 36.108 -5.070 18.631 1.00 53.42 N ATOM 692 CA LYS A 50 35.789 -6.492 18.594 1.00 53.15 C ATOM 693 C LYS A 50 34.645 -6.818 19.548 1.00 31.14 C ATOM 694 O LYS A 50 33.673 -7.472 19.169 1.00 10.02 O ATOM 695 CB LYS A 50 37.022 -7.322 18.956 1.00 43.10 C ATOM 696 CG LYS A 50 38.199 -7.103 18.021 1.00 40.21 C ATOM 697 CD LYS A 50 38.324 -8.229 17.009 1.00 62.32 C ATOM 698 CE LYS A 50 38.907 -9.484 17.641 1.00 74.22 C ATOM 699 NZ LYS A 50 39.272 -10.502 16.617 1.00 21.33 N ATOM 0 H LYS A 50 37.050 -4.858 18.958 1.00 53.42 H new ATOM 0 HA LYS A 50 35.475 -6.742 17.580 1.00 53.15 H new ATOM 0 HB2 LYS A 50 37.327 -7.079 19.974 1.00 43.10 H new ATOM 0 HB3 LYS A 50 36.754 -8.378 18.947 1.00 43.10 H new ATOM 0 HG2 LYS A 50 38.078 -6.154 17.498 1.00 40.21 H new ATOM 0 HG3 LYS A 50 39.118 -7.031 18.602 1.00 40.21 H new ATOM 0 HD2 LYS A 50 37.343 -8.453 16.590 1.00 62.32 H new ATOM 0 HD3 LYS A 50 38.958 -7.908 16.183 1.00 62.32 H new ATOM 0 HE2 LYS A 50 39.790 -9.221 18.223 1.00 74.22 H new ATOM 0 HE3 LYS A 50 38.183 -9.911 18.336 1.00 74.22 H new ATOM 0 HZ1 LYS A 50 39.666 -11.342 17.087 1.00 21.33 H new ATOM 0 HZ2 LYS A 50 38.424 -10.772 16.078 1.00 21.33 H new ATOM 0 HZ3 LYS A 50 39.981 -10.104 15.969 1.00 21.33 H new ATOM 713 N LYS A 51 34.766 -6.358 20.789 1.00 41.52 N ATOM 714 CA LYS A 51 33.742 -6.597 21.798 1.00 34.51 C ATOM 715 C LYS A 51 32.493 -5.769 21.514 1.00 51.23 C ATOM 716 O LYS A 51 31.381 -6.162 21.868 1.00 55.03 O ATOM 717 CB LYS A 51 34.281 -6.265 23.191 1.00 10.31 C ATOM 718 CG LYS A 51 35.088 -7.390 23.816 1.00 50.24 C ATOM 719 CD LYS A 51 35.615 -7.003 25.187 1.00 21.12 C ATOM 720 CE LYS A 51 37.098 -7.312 25.322 1.00 63.22 C ATOM 721 NZ LYS A 51 37.623 -6.937 26.664 1.00 64.40 N ATOM 0 H LYS A 51 35.565 -5.817 21.120 1.00 41.52 H new ATOM 0 HA LYS A 51 33.472 -7.652 21.762 1.00 34.51 H new ATOM 0 HB2 LYS A 51 34.905 -5.374 23.127 1.00 10.31 H new ATOM 0 HB3 LYS A 51 33.445 -6.022 23.846 1.00 10.31 H new ATOM 0 HG2 LYS A 51 34.466 -8.281 23.903 1.00 50.24 H new ATOM 0 HG3 LYS A 51 35.923 -7.646 23.163 1.00 50.24 H new ATOM 0 HD2 LYS A 51 35.447 -5.939 25.355 1.00 21.12 H new ATOM 0 HD3 LYS A 51 35.059 -7.539 25.956 1.00 21.12 H new ATOM 0 HE2 LYS A 51 37.264 -8.376 25.151 1.00 63.22 H new ATOM 0 HE3 LYS A 51 37.652 -6.775 24.552 1.00 63.22 H new ATOM 0 HZ1 LYS A 51 38.637 -7.163 26.716 1.00 64.40 H new ATOM 0 HZ2 LYS A 51 37.488 -5.917 26.817 1.00 64.40 H new ATOM 0 HZ3 LYS A 51 37.112 -7.468 27.398 1.00 64.40 H new ATOM 735 N LEU A 52 32.683 -4.622 20.872 1.00 45.44 N ATOM 736 CA LEU A 52 31.572 -3.738 20.538 1.00 51.22 C ATOM 737 C LEU A 52 30.652 -4.385 19.507 1.00 44.20 C ATOM 738 O LEU A 52 29.446 -4.502 19.724 1.00 51.32 O ATOM 739 CB LEU A 52 32.097 -2.404 20.004 1.00 65.35 C ATOM 740 CG LEU A 52 32.082 -1.234 20.988 1.00 62.14 C ATOM 741 CD1 LEU A 52 33.087 -1.463 22.105 1.00 24.55 C ATOM 742 CD2 LEU A 52 32.374 0.074 20.266 1.00 75.52 C ATOM 0 H LEU A 52 33.597 -4.282 20.572 1.00 45.44 H new ATOM 0 HA LEU A 52 30.999 -3.557 21.447 1.00 51.22 H new ATOM 0 HB2 LEU A 52 33.121 -2.551 19.661 1.00 65.35 H new ATOM 0 HB3 LEU A 52 31.505 -2.127 19.132 1.00 65.35 H new ATOM 0 HG LEU A 52 31.088 -1.169 21.429 1.00 62.14 H new ATOM 0 HD11 LEU A 52 33.062 -0.620 22.795 1.00 24.55 H new ATOM 0 HD12 LEU A 52 32.834 -2.378 22.640 1.00 24.55 H new ATOM 0 HD13 LEU A 52 34.087 -1.555 21.681 1.00 24.55 H new ATOM 0 HD21 LEU A 52 32.359 0.896 20.982 1.00 75.52 H new ATOM 0 HD22 LEU A 52 33.356 0.019 19.797 1.00 75.52 H new ATOM 0 HD23 LEU A 52 31.616 0.245 19.502 1.00 75.52 H new ATOM 754 N ILE A 53 31.231 -4.805 18.387 1.00 32.10 N ATOM 755 CA ILE A 53 30.464 -5.443 17.325 1.00 73.34 C ATOM 756 C ILE A 53 29.993 -6.832 17.744 1.00 2.23 C ATOM 757 O ILE A 53 28.932 -7.292 17.324 1.00 74.21 O ATOM 758 CB ILE A 53 31.288 -5.563 16.029 1.00 53.30 C ATOM 759 CG1 ILE A 53 30.477 -6.280 14.948 1.00 62.34 C ATOM 760 CG2 ILE A 53 32.592 -6.298 16.297 1.00 61.43 C ATOM 761 CD1 ILE A 53 30.755 -5.775 13.549 1.00 12.22 C ATOM 0 H ILE A 53 32.228 -4.715 18.192 1.00 32.10 H new ATOM 0 HA ILE A 53 29.597 -4.809 17.138 1.00 73.34 H new ATOM 0 HB ILE A 53 31.526 -4.561 15.673 1.00 53.30 H new ATOM 0 HG12 ILE A 53 30.694 -7.347 14.990 1.00 62.34 H new ATOM 0 HG13 ILE A 53 29.415 -6.162 15.164 1.00 62.34 H new ATOM 0 HG21 ILE A 53 33.163 -6.375 15.372 1.00 61.43 H new ATOM 0 HG22 ILE A 53 33.173 -5.749 17.038 1.00 61.43 H new ATOM 0 HG23 ILE A 53 32.375 -7.298 16.674 1.00 61.43 H new ATOM 0 HD11 ILE A 53 30.145 -6.328 12.835 1.00 12.22 H new ATOM 0 HD12 ILE A 53 30.511 -4.714 13.490 1.00 12.22 H new ATOM 0 HD13 ILE A 53 31.810 -5.918 13.313 1.00 12.22 H new ATOM 773 N ASP A 54 30.789 -7.493 18.577 1.00 63.51 N ATOM 774 CA ASP A 54 30.453 -8.829 19.057 1.00 43.03 C ATOM 775 C ASP A 54 29.248 -8.784 19.991 1.00 51.44 C ATOM 776 O ASP A 54 28.358 -9.631 19.915 1.00 35.12 O ATOM 777 CB ASP A 54 31.650 -9.451 19.778 1.00 10.12 C ATOM 778 CG ASP A 54 31.299 -10.759 20.459 1.00 24.14 C ATOM 779 OD1 ASP A 54 31.294 -11.802 19.773 1.00 21.11 O ATOM 780 OD2 ASP A 54 31.029 -10.740 21.679 1.00 44.22 O ATOM 0 H ASP A 54 31.671 -7.126 18.934 1.00 63.51 H new ATOM 0 HA ASP A 54 30.198 -9.445 18.194 1.00 43.03 H new ATOM 0 HB2 ASP A 54 32.453 -9.622 19.062 1.00 10.12 H new ATOM 0 HB3 ASP A 54 32.029 -8.748 20.520 1.00 10.12 H new ATOM 785 N THR A 55 29.226 -7.789 20.873 1.00 70.04 N ATOM 786 CA THR A 55 28.132 -7.634 21.823 1.00 71.12 C ATOM 787 C THR A 55 26.872 -7.124 21.132 1.00 20.44 C ATOM 788 O THR A 55 25.762 -7.556 21.447 1.00 44.51 O ATOM 789 CB THR A 55 28.508 -6.665 22.960 1.00 61.42 C ATOM 790 OG1 THR A 55 28.964 -5.423 22.414 1.00 43.33 O ATOM 791 CG2 THR A 55 29.591 -7.264 23.845 1.00 72.22 C ATOM 0 H THR A 55 29.954 -7.079 20.949 1.00 70.04 H new ATOM 0 HA THR A 55 27.938 -8.620 22.245 1.00 71.12 H new ATOM 0 HB THR A 55 27.620 -6.490 23.567 1.00 61.42 H new ATOM 0 HG1 THR A 55 29.896 -5.515 22.125 1.00 43.33 H new ATOM 0 HG21 THR A 55 29.840 -6.562 24.641 1.00 72.22 H new ATOM 0 HG22 THR A 55 29.230 -8.195 24.282 1.00 72.22 H new ATOM 0 HG23 THR A 55 30.480 -7.465 23.247 1.00 72.22 H new ATOM 799 N TYR A 56 27.050 -6.205 20.190 1.00 62.51 N ATOM 800 CA TYR A 56 25.927 -5.636 19.456 1.00 53.32 C ATOM 801 C TYR A 56 25.243 -6.696 18.597 1.00 1.34 C ATOM 802 O TYR A 56 24.015 -6.784 18.561 1.00 42.20 O ATOM 803 CB TYR A 56 26.400 -4.478 18.575 1.00 22.03 C ATOM 804 CG TYR A 56 25.436 -3.314 18.535 1.00 73.31 C ATOM 805 CD1 TYR A 56 24.100 -3.505 18.205 1.00 54.30 C ATOM 806 CD2 TYR A 56 25.861 -2.024 18.828 1.00 74.13 C ATOM 807 CE1 TYR A 56 23.215 -2.444 18.166 1.00 23.21 C ATOM 808 CE2 TYR A 56 24.983 -0.958 18.793 1.00 50.22 C ATOM 809 CZ TYR A 56 23.662 -1.173 18.461 1.00 54.20 C ATOM 810 OH TYR A 56 22.783 -0.114 18.425 1.00 45.02 O ATOM 0 H TYR A 56 27.962 -5.838 19.917 1.00 62.51 H new ATOM 0 HA TYR A 56 25.205 -5.261 20.182 1.00 53.32 H new ATOM 0 HB2 TYR A 56 27.366 -4.127 18.939 1.00 22.03 H new ATOM 0 HB3 TYR A 56 26.556 -4.845 17.560 1.00 22.03 H new ATOM 0 HD1 TYR A 56 23.747 -4.499 17.975 1.00 54.30 H new ATOM 0 HD2 TYR A 56 26.895 -1.852 19.087 1.00 74.13 H new ATOM 0 HE1 TYR A 56 22.180 -2.609 17.906 1.00 23.21 H new ATOM 0 HE2 TYR A 56 25.329 0.038 19.024 1.00 50.22 H new ATOM 0 HH TYR A 56 23.256 0.712 18.658 1.00 45.02 H new ATOM 820 N CYS A 57 26.047 -7.498 17.909 1.00 71.32 N ATOM 821 CA CYS A 57 25.521 -8.553 17.050 1.00 61.32 C ATOM 822 C CYS A 57 24.904 -9.674 17.880 1.00 11.34 C ATOM 823 O CYS A 57 23.826 -10.176 17.562 1.00 70.30 O ATOM 824 CB CYS A 57 26.630 -9.114 16.159 1.00 63.23 C ATOM 825 SG CYS A 57 27.179 -7.981 14.861 1.00 0.33 S ATOM 0 H CYS A 57 27.065 -7.438 17.929 1.00 71.32 H new ATOM 0 HA CYS A 57 24.743 -8.121 16.421 1.00 61.32 H new ATOM 0 HB2 CYS A 57 27.485 -9.376 16.783 1.00 63.23 H new ATOM 0 HB3 CYS A 57 26.278 -10.036 15.696 1.00 63.23 H new ATOM 0 HG CYS A 57 26.695 -6.796 15.086 1.00 0.33 H new ATOM 831 N LYS A 58 25.595 -10.062 18.946 1.00 22.45 N ATOM 832 CA LYS A 58 25.117 -11.124 19.824 1.00 54.00 C ATOM 833 C LYS A 58 23.846 -10.697 20.552 1.00 4.44 C ATOM 834 O LYS A 58 22.905 -11.478 20.691 1.00 1.14 O ATOM 835 CB LYS A 58 26.198 -11.500 20.840 1.00 74.32 C ATOM 836 CG LYS A 58 25.957 -12.839 21.516 1.00 64.13 C ATOM 837 CD LYS A 58 27.254 -13.608 21.707 1.00 1.31 C ATOM 838 CE LYS A 58 27.355 -14.779 20.743 1.00 61.44 C ATOM 839 NZ LYS A 58 26.967 -16.064 21.388 1.00 72.11 N ATOM 0 H LYS A 58 26.489 -9.657 19.223 1.00 22.45 H new ATOM 0 HA LYS A 58 24.888 -11.994 19.209 1.00 54.00 H new ATOM 0 HB2 LYS A 58 27.165 -11.525 20.337 1.00 74.32 H new ATOM 0 HB3 LYS A 58 26.255 -10.723 21.602 1.00 74.32 H new ATOM 0 HG2 LYS A 58 25.482 -12.679 22.484 1.00 64.13 H new ATOM 0 HG3 LYS A 58 25.266 -13.432 20.916 1.00 64.13 H new ATOM 0 HD2 LYS A 58 28.101 -12.938 21.557 1.00 1.31 H new ATOM 0 HD3 LYS A 58 27.314 -13.973 22.732 1.00 1.31 H new ATOM 0 HE2 LYS A 58 26.712 -14.597 19.882 1.00 61.44 H new ATOM 0 HE3 LYS A 58 28.376 -14.854 20.369 1.00 61.44 H new ATOM 0 HZ1 LYS A 58 27.049 -16.838 20.698 1.00 72.11 H new ATOM 0 HZ2 LYS A 58 27.596 -16.251 22.195 1.00 72.11 H new ATOM 0 HZ3 LYS A 58 25.984 -16.002 21.723 1.00 72.11 H new ATOM 853 N LYS A 59 23.826 -9.451 21.015 1.00 74.03 N ATOM 854 CA LYS A 59 22.670 -8.918 21.726 1.00 2.24 C ATOM 855 C LYS A 59 21.462 -8.815 20.802 1.00 55.33 C ATOM 856 O LYS A 59 20.359 -9.228 21.159 1.00 12.45 O ATOM 857 CB LYS A 59 22.996 -7.542 22.312 1.00 24.11 C ATOM 858 CG LYS A 59 23.816 -7.604 23.590 1.00 52.44 C ATOM 859 CD LYS A 59 22.977 -7.253 24.807 1.00 22.13 C ATOM 860 CE LYS A 59 21.941 -8.328 25.099 1.00 43.02 C ATOM 861 NZ LYS A 59 20.941 -7.876 26.105 1.00 22.04 N ATOM 0 H LYS A 59 24.597 -8.792 20.910 1.00 74.03 H new ATOM 0 HA LYS A 59 22.427 -9.604 22.537 1.00 2.24 H new ATOM 0 HB2 LYS A 59 23.540 -6.960 21.569 1.00 24.11 H new ATOM 0 HB3 LYS A 59 22.065 -7.012 22.513 1.00 24.11 H new ATOM 0 HG2 LYS A 59 24.231 -8.605 23.709 1.00 52.44 H new ATOM 0 HG3 LYS A 59 24.658 -6.916 23.517 1.00 52.44 H new ATOM 0 HD2 LYS A 59 23.626 -7.127 25.674 1.00 22.13 H new ATOM 0 HD3 LYS A 59 22.476 -6.299 24.642 1.00 22.13 H new ATOM 0 HE2 LYS A 59 21.430 -8.600 24.176 1.00 43.02 H new ATOM 0 HE3 LYS A 59 22.442 -9.226 25.462 1.00 43.02 H new ATOM 0 HZ1 LYS A 59 20.253 -8.637 26.276 1.00 22.04 H new ATOM 0 HZ2 LYS A 59 21.426 -7.641 26.995 1.00 22.04 H new ATOM 0 HZ3 LYS A 59 20.445 -7.035 25.748 1.00 22.04 H new ATOM 875 N GLN A 60 21.678 -8.263 19.612 1.00 14.10 N ATOM 876 CA GLN A 60 20.605 -8.107 18.637 1.00 61.14 C ATOM 877 C GLN A 60 20.050 -9.464 18.216 1.00 23.12 C ATOM 878 O GLN A 60 18.942 -9.557 17.691 1.00 51.04 O ATOM 879 CB GLN A 60 21.110 -7.347 17.409 1.00 1.20 C ATOM 880 CG GLN A 60 20.039 -7.110 16.357 1.00 72.33 C ATOM 881 CD GLN A 60 20.377 -5.961 15.428 1.00 61.24 C ATOM 882 OE1 GLN A 60 21.405 -5.977 14.750 1.00 23.33 O ATOM 883 NE2 GLN A 60 19.511 -4.955 15.390 1.00 23.14 N ATOM 0 H GLN A 60 22.585 -7.917 19.300 1.00 14.10 H new ATOM 0 HA GLN A 60 19.803 -7.536 19.105 1.00 61.14 H new ATOM 0 HB2 GLN A 60 21.513 -6.386 17.728 1.00 1.20 H new ATOM 0 HB3 GLN A 60 21.932 -7.905 16.960 1.00 1.20 H new ATOM 0 HG2 GLN A 60 19.904 -8.019 15.770 1.00 72.33 H new ATOM 0 HG3 GLN A 60 19.089 -6.905 16.851 1.00 72.33 H new ATOM 0 HE21 GLN A 60 18.671 -4.983 15.969 1.00 23.14 H new ATOM 0 HE22 GLN A 60 19.685 -4.155 14.782 1.00 23.14 H new ATOM 892 N GLY A 61 20.830 -10.515 18.451 1.00 33.52 N ATOM 893 CA GLY A 61 20.399 -11.854 18.090 1.00 2.52 C ATOM 894 C GLY A 61 20.660 -12.173 16.632 1.00 41.35 C ATOM 895 O GLY A 61 19.926 -12.947 16.018 1.00 74.50 O ATOM 0 H GLY A 61 21.752 -10.464 18.884 1.00 33.52 H new ATOM 0 HA2 GLY A 61 20.917 -12.580 18.716 1.00 2.52 H new ATOM 0 HA3 GLY A 61 19.334 -11.958 18.296 1.00 2.52 H new ATOM 899 N ILE A 62 21.707 -11.573 16.075 1.00 61.55 N ATOM 900 CA ILE A 62 22.062 -11.798 14.679 1.00 71.13 C ATOM 901 C ILE A 62 23.575 -11.798 14.489 1.00 10.02 C ATOM 902 O ILE A 62 24.282 -10.966 15.058 1.00 21.53 O ATOM 903 CB ILE A 62 21.441 -10.729 13.761 1.00 52.41 C ATOM 904 CG1 ILE A 62 21.907 -9.333 14.180 1.00 53.30 C ATOM 905 CG2 ILE A 62 19.922 -10.819 13.795 1.00 45.52 C ATOM 906 CD1 ILE A 62 23.132 -8.855 13.432 1.00 14.41 C ATOM 0 H ILE A 62 22.324 -10.928 16.569 1.00 61.55 H new ATOM 0 HA ILE A 62 21.664 -12.775 14.406 1.00 71.13 H new ATOM 0 HB ILE A 62 21.773 -10.911 12.739 1.00 52.41 H new ATOM 0 HG12 ILE A 62 21.094 -8.624 14.020 1.00 53.30 H new ATOM 0 HG13 ILE A 62 22.122 -9.336 15.249 1.00 53.30 H new ATOM 0 HG21 ILE A 62 19.498 -10.057 13.141 1.00 45.52 H new ATOM 0 HG22 ILE A 62 19.608 -11.806 13.454 1.00 45.52 H new ATOM 0 HG23 ILE A 62 19.571 -10.659 14.814 1.00 45.52 H new ATOM 0 HD11 ILE A 62 23.405 -7.859 13.780 1.00 14.41 H new ATOM 0 HD12 ILE A 62 23.959 -9.542 13.612 1.00 14.41 H new ATOM 0 HD13 ILE A 62 22.915 -8.819 12.364 1.00 14.41 H new ATOM 918 N SER A 63 24.065 -12.735 13.684 1.00 21.33 N ATOM 919 CA SER A 63 25.495 -12.845 13.421 1.00 61.14 C ATOM 920 C SER A 63 26.040 -11.547 12.834 1.00 45.34 C ATOM 921 O SER A 63 25.283 -10.629 12.518 1.00 0.13 O ATOM 922 CB SER A 63 25.771 -14.006 12.463 1.00 20.24 C ATOM 923 OG SER A 63 25.351 -15.239 13.023 1.00 40.25 O ATOM 0 H SER A 63 23.493 -13.429 13.203 1.00 21.33 H new ATOM 0 HA SER A 63 26.000 -13.036 14.368 1.00 61.14 H new ATOM 0 HB2 SER A 63 25.251 -13.835 11.520 1.00 20.24 H new ATOM 0 HB3 SER A 63 26.836 -14.050 12.237 1.00 20.24 H new ATOM 0 HG SER A 63 25.536 -15.965 12.391 1.00 40.25 H new ATOM 929 N ARG A 64 27.360 -11.478 12.690 1.00 11.11 N ATOM 930 CA ARG A 64 28.008 -10.292 12.142 1.00 21.45 C ATOM 931 C ARG A 64 27.992 -10.320 10.617 1.00 50.31 C ATOM 932 O ARG A 64 29.028 -10.162 9.973 1.00 51.34 O ATOM 933 CB ARG A 64 29.449 -10.194 12.646 1.00 23.42 C ATOM 934 CG ARG A 64 30.106 -8.855 12.355 1.00 24.13 C ATOM 935 CD ARG A 64 31.483 -9.033 11.735 1.00 24.30 C ATOM 936 NE ARG A 64 32.424 -9.658 12.661 1.00 61.31 N ATOM 937 CZ ARG A 64 33.622 -10.105 12.301 1.00 22.02 C ATOM 938 NH1 ARG A 64 34.024 -9.996 11.042 1.00 13.33 N ATOM 939 NH2 ARG A 64 34.422 -10.662 13.202 1.00 72.02 N ATOM 0 H ARG A 64 28.001 -12.229 12.945 1.00 11.11 H new ATOM 0 HA ARG A 64 27.452 -9.417 12.478 1.00 21.45 H new ATOM 0 HB2 ARG A 64 29.461 -10.369 13.722 1.00 23.42 H new ATOM 0 HB3 ARG A 64 30.040 -10.987 12.187 1.00 23.42 H new ATOM 0 HG2 ARG A 64 29.474 -8.277 11.680 1.00 24.13 H new ATOM 0 HG3 ARG A 64 30.193 -8.283 13.279 1.00 24.13 H new ATOM 0 HD2 ARG A 64 31.399 -9.644 10.836 1.00 24.30 H new ATOM 0 HD3 ARG A 64 31.870 -8.062 11.426 1.00 24.30 H new ATOM 0 HE ARG A 64 32.146 -9.757 13.637 1.00 61.31 H new ATOM 0 HH11 ARG A 64 33.413 -9.568 10.347 1.00 13.33 H new ATOM 0 HH12 ARG A 64 34.945 -10.340 10.769 1.00 13.33 H new ATOM 0 HH21 ARG A 64 34.117 -10.747 14.172 1.00 72.02 H new ATOM 0 HH22 ARG A 64 35.342 -11.005 12.925 1.00 72.02 H new ATOM 953 N ASN A 65 26.809 -10.522 10.046 1.00 13.13 N ATOM 954 CA ASN A 65 26.658 -10.571 8.597 1.00 73.04 C ATOM 955 C ASN A 65 25.480 -9.714 8.143 1.00 41.31 C ATOM 956 O ASN A 65 24.888 -9.960 7.092 1.00 1.02 O ATOM 957 CB ASN A 65 26.460 -12.015 8.132 1.00 21.53 C ATOM 958 CG ASN A 65 27.539 -12.465 7.166 1.00 1.11 C ATOM 959 OD1 ASN A 65 28.730 -12.389 7.469 1.00 50.52 O ATOM 960 ND2 ASN A 65 27.126 -12.937 5.996 1.00 52.44 N ATOM 0 H ASN A 65 25.941 -10.654 10.565 1.00 13.13 H new ATOM 0 HA ASN A 65 27.569 -10.173 8.149 1.00 73.04 H new ATOM 0 HB2 ASN A 65 26.454 -12.675 8.999 1.00 21.53 H new ATOM 0 HB3 ASN A 65 25.485 -12.109 7.653 1.00 21.53 H new ATOM 0 HD21 ASN A 65 27.806 -13.255 5.306 1.00 52.44 H new ATOM 0 HD22 ASN A 65 26.129 -12.982 5.787 1.00 52.44 H new ATOM 967 N SER A 66 25.146 -8.706 8.942 1.00 5.44 N ATOM 968 CA SER A 66 24.038 -7.813 8.625 1.00 32.12 C ATOM 969 C SER A 66 24.230 -6.452 9.287 1.00 14.02 C ATOM 970 O SER A 66 23.261 -5.760 9.602 1.00 44.43 O ATOM 971 CB SER A 66 22.713 -8.430 9.077 1.00 31.51 C ATOM 972 OG SER A 66 21.774 -8.455 8.016 1.00 14.03 O ATOM 0 H SER A 66 25.627 -8.487 9.814 1.00 5.44 H new ATOM 0 HA SER A 66 24.015 -7.672 7.544 1.00 32.12 H new ATOM 0 HB2 SER A 66 22.885 -9.444 9.439 1.00 31.51 H new ATOM 0 HB3 SER A 66 22.308 -7.858 9.912 1.00 31.51 H new ATOM 0 HG SER A 66 20.936 -8.855 8.330 1.00 14.03 H new ATOM 978 N VAL A 67 25.487 -6.074 9.496 1.00 31.41 N ATOM 979 CA VAL A 67 25.808 -4.796 10.120 1.00 73.14 C ATOM 980 C VAL A 67 27.156 -4.273 9.638 1.00 41.31 C ATOM 981 O VAL A 67 28.190 -4.909 9.843 1.00 73.41 O ATOM 982 CB VAL A 67 25.833 -4.911 11.655 1.00 30.33 C ATOM 983 CG1 VAL A 67 24.423 -5.075 12.202 1.00 50.10 C ATOM 984 CG2 VAL A 67 26.719 -6.070 12.088 1.00 40.23 C ATOM 0 H VAL A 67 26.300 -6.635 9.242 1.00 31.41 H new ATOM 0 HA VAL A 67 25.025 -4.096 9.829 1.00 73.14 H new ATOM 0 HB VAL A 67 26.251 -3.991 12.064 1.00 30.33 H new ATOM 0 HG11 VAL A 67 24.461 -5.155 13.288 1.00 50.10 H new ATOM 0 HG12 VAL A 67 23.821 -4.210 11.922 1.00 50.10 H new ATOM 0 HG13 VAL A 67 23.975 -5.978 11.788 1.00 50.10 H new ATOM 0 HG21 VAL A 67 26.725 -6.137 13.176 1.00 40.23 H new ATOM 0 HG22 VAL A 67 26.333 -6.999 11.670 1.00 40.23 H new ATOM 0 HG23 VAL A 67 27.735 -5.905 11.729 1.00 40.23 H new ATOM 994 N ARG A 68 27.138 -3.109 8.997 1.00 42.31 N ATOM 995 CA ARG A 68 28.360 -2.499 8.485 1.00 32.40 C ATOM 996 C ARG A 68 28.913 -1.478 9.474 1.00 44.41 C ATOM 997 O ARG A 68 28.253 -0.491 9.798 1.00 14.40 O ATOM 998 CB ARG A 68 28.094 -1.828 7.137 1.00 53.25 C ATOM 999 CG ARG A 68 28.080 -2.797 5.966 1.00 44.24 C ATOM 1000 CD ARG A 68 26.798 -3.614 5.933 1.00 3.12 C ATOM 1001 NE ARG A 68 26.729 -4.477 4.757 1.00 12.20 N ATOM 1002 CZ ARG A 68 25.808 -5.420 4.591 1.00 41.22 C ATOM 1003 NH1 ARG A 68 24.884 -5.620 5.520 1.00 12.31 N ATOM 1004 NH2 ARG A 68 25.810 -6.165 3.493 1.00 44.33 N ATOM 0 H ARG A 68 26.291 -2.569 8.820 1.00 42.31 H new ATOM 0 HA ARG A 68 29.101 -3.287 8.350 1.00 32.40 H new ATOM 0 HB2 ARG A 68 27.135 -1.311 7.181 1.00 53.25 H new ATOM 0 HB3 ARG A 68 28.857 -1.070 6.961 1.00 53.25 H new ATOM 0 HG2 ARG A 68 28.184 -2.243 5.033 1.00 44.24 H new ATOM 0 HG3 ARG A 68 28.937 -3.466 6.036 1.00 44.24 H new ATOM 0 HD2 ARG A 68 26.733 -4.224 6.834 1.00 3.12 H new ATOM 0 HD3 ARG A 68 25.940 -2.942 5.940 1.00 3.12 H new ATOM 0 HE ARG A 68 27.426 -4.349 4.023 1.00 12.20 H new ATOM 0 HH11 ARG A 68 24.879 -5.049 6.365 1.00 12.31 H new ATOM 0 HH12 ARG A 68 24.178 -6.345 5.390 1.00 12.31 H new ATOM 0 HH21 ARG A 68 26.519 -6.014 2.776 1.00 44.33 H new ATOM 0 HH22 ARG A 68 25.102 -6.889 3.366 1.00 44.33 H new ATOM 1018 N PHE A 69 30.130 -1.722 9.950 1.00 13.32 N ATOM 1019 CA PHE A 69 30.772 -0.824 10.903 1.00 31.13 C ATOM 1020 C PHE A 69 31.812 0.051 10.210 1.00 10.22 C ATOM 1021 O PHE A 69 32.905 -0.409 9.876 1.00 33.15 O ATOM 1022 CB PHE A 69 31.431 -1.626 12.027 1.00 21.22 C ATOM 1023 CG PHE A 69 30.493 -1.967 13.150 1.00 5.10 C ATOM 1024 CD1 PHE A 69 29.211 -2.419 12.886 1.00 73.31 C ATOM 1025 CD2 PHE A 69 30.895 -1.835 14.470 1.00 70.44 C ATOM 1026 CE1 PHE A 69 28.346 -2.733 13.917 1.00 12.33 C ATOM 1027 CE2 PHE A 69 30.035 -2.148 15.505 1.00 15.33 C ATOM 1028 CZ PHE A 69 28.759 -2.598 15.229 1.00 54.05 C ATOM 0 H PHE A 69 30.691 -2.534 9.691 1.00 13.32 H new ATOM 0 HA PHE A 69 30.005 -0.177 11.329 1.00 31.13 H new ATOM 0 HB2 PHE A 69 31.840 -2.548 11.613 1.00 21.22 H new ATOM 0 HB3 PHE A 69 32.270 -1.056 12.426 1.00 21.22 H new ATOM 0 HD1 PHE A 69 28.883 -2.527 11.863 1.00 73.31 H new ATOM 0 HD2 PHE A 69 31.892 -1.483 14.692 1.00 70.44 H new ATOM 0 HE1 PHE A 69 27.348 -3.084 13.698 1.00 12.33 H new ATOM 0 HE2 PHE A 69 30.360 -2.041 16.529 1.00 15.33 H new ATOM 0 HZ PHE A 69 28.085 -2.844 16.037 1.00 54.05 H new ATOM 1038 N LEU A 70 31.464 1.315 9.996 1.00 4.42 N ATOM 1039 CA LEU A 70 32.367 2.257 9.342 1.00 32.23 C ATOM 1040 C LEU A 70 32.641 3.460 10.239 1.00 42.25 C ATOM 1041 O LEU A 70 31.762 3.917 10.969 1.00 74.01 O ATOM 1042 CB LEU A 70 31.773 2.722 8.012 1.00 41.33 C ATOM 1043 CG LEU A 70 30.272 3.016 8.012 1.00 24.04 C ATOM 1044 CD1 LEU A 70 29.987 4.335 8.713 1.00 41.54 C ATOM 1045 CD2 LEU A 70 29.732 3.037 6.590 1.00 45.22 C ATOM 0 H LEU A 70 30.564 1.712 10.265 1.00 4.42 H new ATOM 0 HA LEU A 70 33.311 1.747 9.152 1.00 32.23 H new ATOM 0 HB2 LEU A 70 32.299 3.623 7.698 1.00 41.33 H new ATOM 0 HB3 LEU A 70 31.973 1.958 7.261 1.00 41.33 H new ATOM 0 HG LEU A 70 29.765 2.221 8.559 1.00 24.04 H new ATOM 0 HD11 LEU A 70 28.914 4.528 8.703 1.00 41.54 H new ATOM 0 HD12 LEU A 70 30.337 4.282 9.744 1.00 41.54 H new ATOM 0 HD13 LEU A 70 30.505 5.142 8.195 1.00 41.54 H new ATOM 0 HD21 LEU A 70 28.663 3.248 6.610 1.00 45.22 H new ATOM 0 HD22 LEU A 70 30.244 3.811 6.018 1.00 45.22 H new ATOM 0 HD23 LEU A 70 29.902 2.067 6.122 1.00 45.22 H new ATOM 1057 N PHE A 71 33.867 3.971 10.176 1.00 35.31 N ATOM 1058 CA PHE A 71 34.257 5.122 10.981 1.00 12.31 C ATOM 1059 C PHE A 71 34.887 6.206 10.111 1.00 73.12 C ATOM 1060 O PHE A 71 35.828 5.946 9.361 1.00 23.14 O ATOM 1061 CB PHE A 71 35.238 4.697 12.076 1.00 52.33 C ATOM 1062 CG PHE A 71 36.594 4.321 11.552 1.00 62.00 C ATOM 1063 CD1 PHE A 71 36.851 3.030 11.121 1.00 62.42 C ATOM 1064 CD2 PHE A 71 37.613 5.259 11.491 1.00 34.33 C ATOM 1065 CE1 PHE A 71 38.098 2.680 10.638 1.00 63.01 C ATOM 1066 CE2 PHE A 71 38.861 4.915 11.009 1.00 43.10 C ATOM 1067 CZ PHE A 71 39.105 3.624 10.583 1.00 71.11 C ATOM 0 H PHE A 71 34.607 3.606 9.576 1.00 35.31 H new ATOM 0 HA PHE A 71 33.359 5.530 11.446 1.00 12.31 H new ATOM 0 HB2 PHE A 71 35.347 5.512 12.792 1.00 52.33 H new ATOM 0 HB3 PHE A 71 34.819 3.850 12.619 1.00 52.33 H new ATOM 0 HD1 PHE A 71 36.068 2.288 11.163 1.00 62.42 H new ATOM 0 HD2 PHE A 71 37.429 6.270 11.824 1.00 34.33 H new ATOM 0 HE1 PHE A 71 38.285 1.670 10.304 1.00 63.01 H new ATOM 0 HE2 PHE A 71 39.646 5.656 10.965 1.00 43.10 H new ATOM 0 HZ PHE A 71 40.081 3.353 10.208 1.00 71.11 H new ATOM 1077 N ASP A 72 34.360 7.421 10.215 1.00 32.25 N ATOM 1078 CA ASP A 72 34.870 8.545 9.439 1.00 33.10 C ATOM 1079 C ASP A 72 34.911 8.205 7.953 1.00 75.45 C ATOM 1080 O ASP A 72 35.753 8.711 7.212 1.00 33.23 O ATOM 1081 CB ASP A 72 36.267 8.935 9.924 1.00 13.51 C ATOM 1082 CG ASP A 72 36.407 10.429 10.143 1.00 40.12 C ATOM 1083 OD1 ASP A 72 35.664 10.978 10.983 1.00 0.52 O ATOM 1084 OD2 ASP A 72 37.260 11.049 9.474 1.00 25.53 O ATOM 0 H ASP A 72 33.579 7.653 10.829 1.00 32.25 H new ATOM 0 HA ASP A 72 34.195 9.389 9.582 1.00 33.10 H new ATOM 0 HB2 ASP A 72 36.484 8.412 10.855 1.00 13.51 H new ATOM 0 HB3 ASP A 72 37.007 8.607 9.194 1.00 13.51 H new ATOM 1089 N GLY A 73 33.995 7.342 7.523 1.00 74.15 N ATOM 1090 CA GLY A 73 33.944 6.948 6.127 1.00 63.42 C ATOM 1091 C GLY A 73 34.884 5.800 5.814 1.00 5.42 C ATOM 1092 O GLY A 73 35.329 5.644 4.676 1.00 22.25 O ATOM 0 H GLY A 73 33.288 6.909 8.117 1.00 74.15 H new ATOM 0 HA2 GLY A 73 32.925 6.659 5.871 1.00 63.42 H new ATOM 0 HA3 GLY A 73 34.199 7.803 5.502 1.00 63.42 H new ATOM 1096 N THR A 74 35.191 4.995 6.827 1.00 54.31 N ATOM 1097 CA THR A 74 36.086 3.858 6.656 1.00 43.44 C ATOM 1098 C THR A 74 35.447 2.573 7.167 1.00 31.32 C ATOM 1099 O THR A 74 35.532 2.236 8.348 1.00 12.04 O ATOM 1100 CB THR A 74 37.423 4.081 7.389 1.00 73.34 C ATOM 1101 OG1 THR A 74 37.807 5.457 7.300 1.00 42.23 O ATOM 1102 CG2 THR A 74 38.516 3.204 6.797 1.00 5.24 C ATOM 0 H THR A 74 34.832 5.110 7.775 1.00 54.31 H new ATOM 0 HA THR A 74 36.277 3.764 5.587 1.00 43.44 H new ATOM 0 HB THR A 74 37.288 3.810 8.436 1.00 73.34 H new ATOM 0 HG1 THR A 74 37.289 5.983 7.944 1.00 42.23 H new ATOM 0 HG21 THR A 74 39.451 3.378 7.330 1.00 5.24 H new ATOM 0 HG22 THR A 74 38.233 2.156 6.893 1.00 5.24 H new ATOM 0 HG23 THR A 74 38.648 3.449 5.743 1.00 5.24 H new ATOM 1110 N PRO A 75 34.791 1.835 6.259 1.00 21.11 N ATOM 1111 CA PRO A 75 34.125 0.573 6.596 1.00 44.12 C ATOM 1112 C PRO A 75 35.118 -0.537 6.924 1.00 3.45 C ATOM 1113 O PRO A 75 35.761 -1.091 6.033 1.00 70.25 O ATOM 1114 CB PRO A 75 33.345 0.233 5.323 1.00 3.04 C ATOM 1115 CG PRO A 75 34.089 0.918 4.229 1.00 55.10 C ATOM 1116 CD PRO A 75 34.650 2.175 4.833 1.00 14.55 C ATOM 0 HA PRO A 75 33.500 0.667 7.484 1.00 44.12 H new ATOM 0 HB2 PRO A 75 33.304 -0.844 5.160 1.00 3.04 H new ATOM 0 HB3 PRO A 75 32.316 0.586 5.383 1.00 3.04 H new ATOM 0 HG2 PRO A 75 34.885 0.282 3.841 1.00 55.10 H new ATOM 0 HG3 PRO A 75 33.429 1.148 3.393 1.00 55.10 H new ATOM 0 HD2 PRO A 75 35.608 2.442 4.387 1.00 14.55 H new ATOM 0 HD3 PRO A 75 33.982 3.024 4.686 1.00 14.55 H new ATOM 1124 N ILE A 76 35.238 -0.856 8.209 1.00 42.53 N ATOM 1125 CA ILE A 76 36.152 -1.900 8.654 1.00 60.32 C ATOM 1126 C ILE A 76 35.636 -2.581 9.917 1.00 54.12 C ATOM 1127 O ILE A 76 35.013 -1.944 10.767 1.00 74.52 O ATOM 1128 CB ILE A 76 37.560 -1.338 8.926 1.00 71.41 C ATOM 1129 CG1 ILE A 76 38.094 -0.618 7.686 1.00 71.51 C ATOM 1130 CG2 ILE A 76 38.504 -2.455 9.344 1.00 22.53 C ATOM 1131 CD1 ILE A 76 39.487 -0.056 7.867 1.00 74.24 C ATOM 0 H ILE A 76 34.714 -0.406 8.959 1.00 42.53 H new ATOM 0 HA ILE A 76 36.211 -2.631 7.848 1.00 60.32 H new ATOM 0 HB ILE A 76 37.496 -0.618 9.742 1.00 71.41 H new ATOM 0 HG12 ILE A 76 38.097 -1.312 6.846 1.00 71.51 H new ATOM 0 HG13 ILE A 76 37.414 0.194 7.426 1.00 71.51 H new ATOM 0 HG21 ILE A 76 39.495 -2.042 9.533 1.00 22.53 H new ATOM 0 HG22 ILE A 76 38.129 -2.928 10.252 1.00 22.53 H new ATOM 0 HG23 ILE A 76 38.565 -3.197 8.548 1.00 22.53 H new ATOM 0 HD11 ILE A 76 39.801 0.440 6.949 1.00 74.24 H new ATOM 0 HD12 ILE A 76 39.486 0.663 8.686 1.00 74.24 H new ATOM 0 HD13 ILE A 76 40.179 -0.866 8.097 1.00 74.24 H new ATOM 1143 N ASP A 77 35.900 -3.877 10.034 1.00 62.41 N ATOM 1144 CA ASP A 77 35.465 -4.645 11.195 1.00 51.10 C ATOM 1145 C ASP A 77 36.663 -5.154 11.990 1.00 61.20 C ATOM 1146 O ASP A 77 37.159 -6.254 11.747 1.00 53.13 O ATOM 1147 CB ASP A 77 34.591 -5.821 10.757 1.00 15.11 C ATOM 1148 CG ASP A 77 33.398 -5.380 9.932 1.00 52.32 C ATOM 1149 OD1 ASP A 77 32.748 -4.385 10.314 1.00 14.24 O ATOM 1150 OD2 ASP A 77 33.114 -6.030 8.904 1.00 50.23 O ATOM 0 H ASP A 77 36.413 -4.419 9.339 1.00 62.41 H new ATOM 0 HA ASP A 77 34.879 -3.986 11.837 1.00 51.10 H new ATOM 0 HB2 ASP A 77 35.192 -6.520 10.176 1.00 15.11 H new ATOM 0 HB3 ASP A 77 34.241 -6.358 11.639 1.00 15.11 H new ATOM 1155 N GLU A 78 37.124 -4.346 12.940 1.00 74.12 N ATOM 1156 CA GLU A 78 38.265 -4.715 13.769 1.00 60.23 C ATOM 1157 C GLU A 78 38.576 -3.620 14.785 1.00 32.44 C ATOM 1158 O GLU A 78 38.016 -2.525 14.727 1.00 31.11 O ATOM 1159 CB GLU A 78 39.494 -4.979 12.896 1.00 75.14 C ATOM 1160 CG GLU A 78 39.837 -6.453 12.758 1.00 40.23 C ATOM 1161 CD GLU A 78 40.253 -6.825 11.348 1.00 73.52 C ATOM 1162 OE1 GLU A 78 39.610 -6.340 10.393 1.00 64.31 O ATOM 1163 OE2 GLU A 78 41.219 -7.602 11.199 1.00 2.13 O ATOM 0 H GLU A 78 36.725 -3.432 13.154 1.00 74.12 H new ATOM 0 HA GLU A 78 38.009 -5.626 14.309 1.00 60.23 H new ATOM 0 HB2 GLU A 78 39.322 -4.560 11.904 1.00 75.14 H new ATOM 0 HB3 GLU A 78 40.350 -4.453 13.320 1.00 75.14 H new ATOM 0 HG2 GLU A 78 40.643 -6.701 13.448 1.00 40.23 H new ATOM 0 HG3 GLU A 78 38.974 -7.052 13.048 1.00 40.23 H new ATOM 1170 N THR A 79 39.473 -3.925 15.718 1.00 13.35 N ATOM 1171 CA THR A 79 39.857 -2.969 16.749 1.00 3.03 C ATOM 1172 C THR A 79 41.368 -2.767 16.776 1.00 40.04 C ATOM 1173 O THR A 79 41.907 -2.153 17.697 1.00 61.31 O ATOM 1174 CB THR A 79 39.388 -3.427 18.143 1.00 13.31 C ATOM 1175 OG1 THR A 79 39.565 -2.369 19.092 1.00 53.44 O ATOM 1176 CG2 THR A 79 40.160 -4.656 18.597 1.00 34.35 C ATOM 0 H THR A 79 39.947 -4.826 15.781 1.00 13.35 H new ATOM 0 HA THR A 79 39.371 -2.025 16.502 1.00 3.03 H new ATOM 0 HB THR A 79 38.331 -3.684 18.079 1.00 13.31 H new ATOM 0 HG1 THR A 79 40.423 -1.923 18.929 1.00 53.44 H new ATOM 0 HG21 THR A 79 39.811 -4.961 19.584 1.00 34.35 H new ATOM 0 HG22 THR A 79 40.000 -5.469 17.889 1.00 34.35 H new ATOM 0 HG23 THR A 79 41.223 -4.421 18.645 1.00 34.35 H new ATOM 1184 N LYS A 80 42.047 -3.286 15.759 1.00 65.33 N ATOM 1185 CA LYS A 80 43.497 -3.162 15.663 1.00 0.42 C ATOM 1186 C LYS A 80 43.902 -2.521 14.339 1.00 20.42 C ATOM 1187 O LYS A 80 44.676 -1.564 14.311 1.00 24.21 O ATOM 1188 CB LYS A 80 44.158 -4.535 15.801 1.00 71.00 C ATOM 1189 CG LYS A 80 43.831 -5.239 17.107 1.00 41.13 C ATOM 1190 CD LYS A 80 44.228 -4.398 18.308 1.00 15.52 C ATOM 1191 CE LYS A 80 45.730 -4.164 18.354 1.00 52.44 C ATOM 1192 NZ LYS A 80 46.486 -5.440 18.478 1.00 24.22 N ATOM 0 H LYS A 80 41.616 -3.797 14.989 1.00 65.33 H new ATOM 0 HA LYS A 80 43.836 -2.520 16.476 1.00 0.42 H new ATOM 0 HB2 LYS A 80 43.844 -5.166 14.969 1.00 71.00 H new ATOM 0 HB3 LYS A 80 45.239 -4.418 15.722 1.00 71.00 H new ATOM 0 HG2 LYS A 80 42.763 -5.453 17.149 1.00 41.13 H new ATOM 0 HG3 LYS A 80 44.350 -6.197 17.145 1.00 41.13 H new ATOM 0 HD2 LYS A 80 43.711 -3.439 18.269 1.00 15.52 H new ATOM 0 HD3 LYS A 80 43.908 -4.896 19.223 1.00 15.52 H new ATOM 0 HE2 LYS A 80 46.044 -3.642 17.450 1.00 52.44 H new ATOM 0 HE3 LYS A 80 45.971 -3.516 19.196 1.00 52.44 H new ATOM 0 HZ1 LYS A 80 47.466 -5.237 18.759 1.00 24.22 H new ATOM 0 HZ2 LYS A 80 46.037 -6.041 19.198 1.00 24.22 H new ATOM 0 HZ3 LYS A 80 46.484 -5.935 17.563 1.00 24.22 H new ATOM 1206 N THR A 81 43.373 -3.055 13.243 1.00 55.15 N ATOM 1207 CA THR A 81 43.679 -2.536 11.916 1.00 55.44 C ATOM 1208 C THR A 81 43.099 -1.139 11.725 1.00 53.23 C ATOM 1209 O THR A 81 43.820 -0.165 11.509 1.00 4.11 O ATOM 1210 CB THR A 81 43.134 -3.461 10.811 1.00 51.40 C ATOM 1211 OG1 THR A 81 42.380 -4.529 11.394 1.00 21.24 O ATOM 1212 CG2 THR A 81 44.269 -4.032 9.975 1.00 42.31 C ATOM 0 H THR A 81 42.730 -3.847 13.248 1.00 55.15 H new ATOM 0 HA THR A 81 44.765 -2.490 11.838 1.00 55.44 H new ATOM 0 HB THR A 81 42.486 -2.872 10.162 1.00 51.40 H new ATOM 0 HG1 THR A 81 42.569 -5.362 10.914 1.00 21.24 H new ATOM 0 HG21 THR A 81 43.860 -4.682 9.201 1.00 42.31 H new ATOM 0 HG22 THR A 81 44.823 -3.217 9.509 1.00 42.31 H new ATOM 0 HG23 THR A 81 44.939 -4.607 10.615 1.00 42.31 H new ATOM 1220 N PRO A 82 41.764 -1.035 11.806 1.00 72.23 N ATOM 1221 CA PRO A 82 41.058 0.239 11.646 1.00 54.42 C ATOM 1222 C PRO A 82 41.300 1.187 12.815 1.00 2.34 C ATOM 1223 O PRO A 82 41.128 2.399 12.689 1.00 11.13 O ATOM 1224 CB PRO A 82 39.585 -0.175 11.590 1.00 22.54 C ATOM 1225 CG PRO A 82 39.529 -1.470 12.325 1.00 75.31 C ATOM 1226 CD PRO A 82 40.841 -2.154 12.060 1.00 22.33 C ATOM 0 HA PRO A 82 41.396 0.783 10.764 1.00 54.42 H new ATOM 0 HB2 PRO A 82 38.945 0.574 12.057 1.00 22.54 H new ATOM 0 HB3 PRO A 82 39.244 -0.288 10.561 1.00 22.54 H new ATOM 0 HG2 PRO A 82 39.383 -1.307 13.393 1.00 75.31 H new ATOM 0 HG3 PRO A 82 38.694 -2.079 11.979 1.00 75.31 H new ATOM 0 HD2 PRO A 82 41.161 -2.753 12.912 1.00 22.33 H new ATOM 0 HD3 PRO A 82 40.778 -2.826 11.204 1.00 22.33 H new ATOM 1234 N GLU A 83 41.701 0.627 13.952 1.00 24.22 N ATOM 1235 CA GLU A 83 41.967 1.424 15.144 1.00 61.11 C ATOM 1236 C GLU A 83 43.315 2.131 15.036 1.00 1.01 C ATOM 1237 O GLU A 83 43.410 3.341 15.238 1.00 51.25 O ATOM 1238 CB GLU A 83 41.941 0.539 16.392 1.00 2.53 C ATOM 1239 CG GLU A 83 41.452 1.259 17.638 1.00 42.10 C ATOM 1240 CD GLU A 83 42.530 1.392 18.696 1.00 44.52 C ATOM 1241 OE1 GLU A 83 43.243 0.397 18.945 1.00 51.35 O ATOM 1242 OE2 GLU A 83 42.662 2.491 19.275 1.00 74.11 O ATOM 0 H GLU A 83 41.849 -0.375 14.073 1.00 24.22 H new ATOM 0 HA GLU A 83 41.186 2.180 15.227 1.00 61.11 H new ATOM 0 HB2 GLU A 83 41.299 -0.321 16.204 1.00 2.53 H new ATOM 0 HB3 GLU A 83 42.944 0.154 16.575 1.00 2.53 H new ATOM 0 HG2 GLU A 83 41.094 2.251 17.363 1.00 42.10 H new ATOM 0 HG3 GLU A 83 40.603 0.718 18.056 1.00 42.10 H new ATOM 1249 N GLU A 84 44.354 1.366 14.718 1.00 64.24 N ATOM 1250 CA GLU A 84 45.697 1.919 14.585 1.00 61.15 C ATOM 1251 C GLU A 84 45.826 2.730 13.298 1.00 4.05 C ATOM 1252 O GLU A 84 46.518 3.749 13.260 1.00 33.23 O ATOM 1253 CB GLU A 84 46.738 0.798 14.600 1.00 24.13 C ATOM 1254 CG GLU A 84 48.037 1.183 15.289 1.00 32.11 C ATOM 1255 CD GLU A 84 49.206 1.266 14.327 1.00 75.15 C ATOM 1256 OE1 GLU A 84 48.996 1.695 13.173 1.00 14.51 O ATOM 1257 OE2 GLU A 84 50.331 0.901 14.728 1.00 53.14 O ATOM 0 H GLU A 84 44.292 0.362 14.548 1.00 64.24 H new ATOM 0 HA GLU A 84 45.875 2.582 15.432 1.00 61.15 H new ATOM 0 HB2 GLU A 84 46.315 -0.073 15.101 1.00 24.13 H new ATOM 0 HB3 GLU A 84 46.955 0.501 13.574 1.00 24.13 H new ATOM 0 HG2 GLU A 84 47.910 2.146 15.784 1.00 32.11 H new ATOM 0 HG3 GLU A 84 48.262 0.452 16.066 1.00 32.11 H new ATOM 1264 N LEU A 85 45.157 2.271 12.247 1.00 62.12 N ATOM 1265 CA LEU A 85 45.197 2.953 10.958 1.00 73.54 C ATOM 1266 C LEU A 85 44.275 4.168 10.956 1.00 73.44 C ATOM 1267 O LEU A 85 44.564 5.178 10.316 1.00 11.02 O ATOM 1268 CB LEU A 85 44.795 1.991 9.838 1.00 53.23 C ATOM 1269 CG LEU A 85 44.769 2.578 8.426 1.00 2.31 C ATOM 1270 CD1 LEU A 85 46.174 2.951 7.977 1.00 33.34 C ATOM 1271 CD2 LEU A 85 44.139 1.595 7.451 1.00 72.13 C ATOM 0 H LEU A 85 44.580 1.430 12.261 1.00 62.12 H new ATOM 0 HA LEU A 85 46.218 3.295 10.786 1.00 73.54 H new ATOM 0 HB2 LEU A 85 45.485 1.147 9.846 1.00 53.23 H new ATOM 0 HB3 LEU A 85 43.805 1.596 10.064 1.00 53.23 H new ATOM 0 HG LEU A 85 44.162 3.483 8.441 1.00 2.31 H new ATOM 0 HD11 LEU A 85 46.136 3.367 6.970 1.00 33.34 H new ATOM 0 HD12 LEU A 85 46.590 3.692 8.660 1.00 33.34 H new ATOM 0 HD13 LEU A 85 46.805 2.062 7.979 1.00 33.34 H new ATOM 0 HD21 LEU A 85 44.129 2.030 6.451 1.00 72.13 H new ATOM 0 HD22 LEU A 85 44.719 0.672 7.439 1.00 72.13 H new ATOM 0 HD23 LEU A 85 43.117 1.378 7.762 1.00 72.13 H new ATOM 1283 N GLY A 86 43.163 4.062 11.678 1.00 4.31 N ATOM 1284 CA GLY A 86 42.217 5.160 11.748 1.00 50.23 C ATOM 1285 C GLY A 86 42.604 6.194 12.786 1.00 1.41 C ATOM 1286 O GLY A 86 43.128 7.256 12.449 1.00 32.22 O ATOM 0 H GLY A 86 42.901 3.236 12.215 1.00 4.31 H new ATOM 0 HA2 GLY A 86 42.148 5.639 10.771 1.00 50.23 H new ATOM 0 HA3 GLY A 86 41.227 4.768 11.982 1.00 50.23 H new ATOM 1290 N MET A 87 42.344 5.885 14.052 1.00 4.33 N ATOM 1291 CA MET A 87 42.669 6.797 15.143 1.00 1.01 C ATOM 1292 C MET A 87 42.316 6.178 16.492 1.00 1.40 C ATOM 1293 O MET A 87 41.929 5.013 16.567 1.00 34.04 O ATOM 1294 CB MET A 87 41.926 8.123 14.967 1.00 71.43 C ATOM 1295 CG MET A 87 40.425 7.959 14.791 1.00 70.05 C ATOM 1296 SD MET A 87 39.551 9.536 14.779 1.00 40.13 S ATOM 1297 CE MET A 87 39.143 9.684 13.041 1.00 72.20 C ATOM 0 H MET A 87 41.910 5.011 14.348 1.00 4.33 H new ATOM 0 HA MET A 87 43.742 6.985 15.119 1.00 1.01 H new ATOM 0 HB2 MET A 87 42.115 8.754 15.835 1.00 71.43 H new ATOM 0 HB3 MET A 87 42.331 8.645 14.100 1.00 71.43 H new ATOM 0 HG2 MET A 87 40.228 7.432 13.858 1.00 70.05 H new ATOM 0 HG3 MET A 87 40.034 7.338 15.597 1.00 70.05 H new ATOM 0 HE1 MET A 87 38.598 10.613 12.873 1.00 72.20 H new ATOM 0 HE2 MET A 87 40.060 9.689 12.451 1.00 72.20 H new ATOM 0 HE3 MET A 87 38.523 8.840 12.740 1.00 72.20 H new ATOM 1307 N GLU A 88 42.453 6.966 17.554 1.00 44.52 N ATOM 1308 CA GLU A 88 42.150 6.494 18.899 1.00 34.14 C ATOM 1309 C GLU A 88 41.601 7.626 19.763 1.00 41.32 C ATOM 1310 O GLU A 88 41.255 8.695 19.258 1.00 61.51 O ATOM 1311 CB GLU A 88 43.401 5.902 19.551 1.00 62.34 C ATOM 1312 CG GLU A 88 44.459 6.938 19.890 1.00 42.10 C ATOM 1313 CD GLU A 88 45.825 6.322 20.126 1.00 14.21 C ATOM 1314 OE1 GLU A 88 46.421 5.812 19.154 1.00 11.52 O ATOM 1315 OE2 GLU A 88 46.297 6.350 21.282 1.00 73.43 O ATOM 0 H GLU A 88 42.772 7.934 17.508 1.00 44.52 H new ATOM 0 HA GLU A 88 41.389 5.718 18.820 1.00 34.14 H new ATOM 0 HB2 GLU A 88 43.112 5.378 20.462 1.00 62.34 H new ATOM 0 HB3 GLU A 88 43.833 5.160 18.880 1.00 62.34 H new ATOM 0 HG2 GLU A 88 44.527 7.662 19.078 1.00 42.10 H new ATOM 0 HG3 GLU A 88 44.153 7.486 20.781 1.00 42.10 H new ATOM 1322 N ASP A 89 41.524 7.384 21.067 1.00 44.03 N ATOM 1323 CA ASP A 89 41.019 8.383 22.001 1.00 34.45 C ATOM 1324 C ASP A 89 39.510 8.550 21.854 1.00 54.12 C ATOM 1325 O ASP A 89 38.742 8.157 22.733 1.00 64.54 O ATOM 1326 CB ASP A 89 41.718 9.724 21.776 1.00 53.15 C ATOM 1327 CG ASP A 89 41.659 10.620 22.997 1.00 50.43 C ATOM 1328 OD1 ASP A 89 42.280 10.268 24.021 1.00 35.13 O ATOM 1329 OD2 ASP A 89 40.992 11.674 22.928 1.00 12.13 O ATOM 0 H ASP A 89 41.805 6.505 21.501 1.00 44.03 H new ATOM 0 HA ASP A 89 41.232 8.038 23.013 1.00 34.45 H new ATOM 0 HB2 ASP A 89 42.760 9.547 21.509 1.00 53.15 H new ATOM 0 HB3 ASP A 89 41.255 10.235 20.932 1.00 53.15 H new ATOM 1334 N ASP A 90 39.091 9.137 20.738 1.00 1.20 N ATOM 1335 CA ASP A 90 37.674 9.357 20.475 1.00 53.10 C ATOM 1336 C ASP A 90 37.219 8.567 19.252 1.00 30.40 C ATOM 1337 O ASP A 90 36.491 9.082 18.403 1.00 31.43 O ATOM 1338 CB ASP A 90 37.397 10.847 20.267 1.00 71.23 C ATOM 1339 CG ASP A 90 37.435 11.630 21.564 1.00 33.44 C ATOM 1340 OD1 ASP A 90 37.480 10.995 22.639 1.00 72.24 O ATOM 1341 OD2 ASP A 90 37.418 12.877 21.506 1.00 42.22 O ATOM 0 H ASP A 90 39.713 9.469 20.001 1.00 1.20 H new ATOM 0 HA ASP A 90 37.111 9.008 21.341 1.00 53.10 H new ATOM 0 HB2 ASP A 90 38.134 11.257 19.577 1.00 71.23 H new ATOM 0 HB3 ASP A 90 36.420 10.970 19.800 1.00 71.23 H new ATOM 1346 N ASP A 91 37.654 7.314 19.168 1.00 11.33 N ATOM 1347 CA ASP A 91 37.292 6.452 18.049 1.00 13.31 C ATOM 1348 C ASP A 91 35.777 6.305 17.945 1.00 50.03 C ATOM 1349 O ASP A 91 35.116 5.886 18.895 1.00 4.34 O ATOM 1350 CB ASP A 91 37.941 5.076 18.207 1.00 53.34 C ATOM 1351 CG ASP A 91 37.223 4.003 17.411 1.00 5.41 C ATOM 1352 OD1 ASP A 91 36.910 4.251 16.228 1.00 41.53 O ATOM 1353 OD2 ASP A 91 36.976 2.915 17.972 1.00 42.45 O ATOM 0 H ASP A 91 38.258 6.873 19.862 1.00 11.33 H new ATOM 0 HA ASP A 91 37.658 6.914 17.132 1.00 13.31 H new ATOM 0 HB2 ASP A 91 38.981 5.129 17.885 1.00 53.34 H new ATOM 0 HB3 ASP A 91 37.947 4.799 19.261 1.00 53.34 H new ATOM 1358 N VAL A 92 35.232 6.653 16.783 1.00 3.32 N ATOM 1359 CA VAL A 92 33.795 6.560 16.554 1.00 4.01 C ATOM 1360 C VAL A 92 33.462 5.406 15.615 1.00 4.02 C ATOM 1361 O VAL A 92 34.282 5.011 14.786 1.00 64.01 O ATOM 1362 CB VAL A 92 33.235 7.867 15.962 1.00 4.01 C ATOM 1363 CG1 VAL A 92 33.742 9.068 16.745 1.00 2.44 C ATOM 1364 CG2 VAL A 92 33.603 7.986 14.491 1.00 63.42 C ATOM 0 H VAL A 92 35.764 7.002 15.986 1.00 3.32 H new ATOM 0 HA VAL A 92 33.331 6.381 17.524 1.00 4.01 H new ATOM 0 HB VAL A 92 32.148 7.845 16.041 1.00 4.01 H new ATOM 0 HG11 VAL A 92 33.336 9.982 16.312 1.00 2.44 H new ATOM 0 HG12 VAL A 92 33.423 8.986 17.784 1.00 2.44 H new ATOM 0 HG13 VAL A 92 34.831 9.098 16.701 1.00 2.44 H new ATOM 0 HG21 VAL A 92 33.199 8.915 14.089 1.00 63.42 H new ATOM 0 HG22 VAL A 92 34.688 7.986 14.386 1.00 63.42 H new ATOM 0 HG23 VAL A 92 33.186 7.142 13.942 1.00 63.42 H new ATOM 1374 N ILE A 93 32.254 4.870 15.751 1.00 62.10 N ATOM 1375 CA ILE A 93 31.812 3.762 14.913 1.00 22.14 C ATOM 1376 C ILE A 93 30.335 3.895 14.560 1.00 51.53 C ATOM 1377 O ILE A 93 29.463 3.680 15.401 1.00 34.43 O ATOM 1378 CB ILE A 93 32.042 2.406 15.606 1.00 20.23 C ATOM 1379 CG1 ILE A 93 33.524 2.223 15.938 1.00 65.54 C ATOM 1380 CG2 ILE A 93 31.546 1.270 14.724 1.00 24.42 C ATOM 1381 CD1 ILE A 93 34.409 2.119 14.715 1.00 53.13 C ATOM 0 H ILE A 93 31.564 5.185 16.433 1.00 62.10 H new ATOM 0 HA ILE A 93 32.406 3.800 14.000 1.00 22.14 H new ATOM 0 HB ILE A 93 31.476 2.390 16.538 1.00 20.23 H new ATOM 0 HG12 ILE A 93 33.858 3.063 16.548 1.00 65.54 H new ATOM 0 HG13 ILE A 93 33.644 1.323 16.541 1.00 65.54 H new ATOM 0 HG21 ILE A 93 31.715 0.318 15.227 1.00 24.42 H new ATOM 0 HG22 ILE A 93 30.480 1.396 14.534 1.00 24.42 H new ATOM 0 HG23 ILE A 93 32.087 1.281 13.778 1.00 24.42 H new ATOM 0 HD11 ILE A 93 35.446 1.991 15.026 1.00 53.13 H new ATOM 0 HD12 ILE A 93 34.101 1.262 14.115 1.00 53.13 H new ATOM 0 HD13 ILE A 93 34.318 3.029 14.122 1.00 53.13 H new ATOM 1393 N ASP A 94 30.061 4.251 13.309 1.00 25.13 N ATOM 1394 CA ASP A 94 28.689 4.410 12.842 1.00 2.54 C ATOM 1395 C ASP A 94 28.185 3.128 12.188 1.00 21.24 C ATOM 1396 O ASP A 94 28.692 2.709 11.148 1.00 22.03 O ATOM 1397 CB ASP A 94 28.597 5.573 11.853 1.00 75.24 C ATOM 1398 CG ASP A 94 27.547 6.591 12.252 1.00 11.22 C ATOM 1399 OD1 ASP A 94 26.407 6.181 12.555 1.00 13.00 O ATOM 1400 OD2 ASP A 94 27.866 7.798 12.263 1.00 50.31 O ATOM 0 H ASP A 94 30.771 4.435 12.601 1.00 25.13 H new ATOM 0 HA ASP A 94 28.060 4.626 13.705 1.00 2.54 H new ATOM 0 HB2 ASP A 94 29.567 6.065 11.783 1.00 75.24 H new ATOM 0 HB3 ASP A 94 28.364 5.185 10.861 1.00 75.24 H new ATOM 1405 N ALA A 95 27.185 2.508 12.806 1.00 14.31 N ATOM 1406 CA ALA A 95 26.612 1.274 12.284 1.00 55.13 C ATOM 1407 C ALA A 95 25.560 1.565 11.219 1.00 74.03 C ATOM 1408 O ALA A 95 24.708 2.435 11.396 1.00 51.41 O ATOM 1409 CB ALA A 95 26.008 0.453 13.413 1.00 25.45 C ATOM 0 H ALA A 95 26.755 2.841 13.669 1.00 14.31 H new ATOM 0 HA ALA A 95 27.413 0.699 11.820 1.00 55.13 H new ATOM 0 HB1 ALA A 95 25.584 -0.466 13.008 1.00 25.45 H new ATOM 0 HB2 ALA A 95 26.783 0.206 14.138 1.00 25.45 H new ATOM 0 HB3 ALA A 95 25.223 1.030 13.903 1.00 25.45 H new ATOM 1415 N MET A 96 25.625 0.831 10.113 1.00 45.45 N ATOM 1416 CA MET A 96 24.677 1.011 9.019 1.00 5.21 C ATOM 1417 C MET A 96 24.095 -0.328 8.579 1.00 14.10 C ATOM 1418 O MET A 96 24.727 -1.373 8.735 1.00 51.32 O ATOM 1419 CB MET A 96 25.358 1.699 7.834 1.00 72.22 C ATOM 1420 CG MET A 96 24.749 3.047 7.482 1.00 61.52 C ATOM 1421 SD MET A 96 25.562 3.830 6.076 1.00 60.11 S ATOM 1422 CE MET A 96 24.501 5.250 5.819 1.00 32.23 C ATOM 0 H MET A 96 26.324 0.106 9.950 1.00 45.45 H new ATOM 0 HA MET A 96 23.863 1.641 9.376 1.00 5.21 H new ATOM 0 HB2 MET A 96 26.415 1.835 8.062 1.00 72.22 H new ATOM 0 HB3 MET A 96 25.302 1.045 6.963 1.00 72.22 H new ATOM 0 HG2 MET A 96 23.690 2.916 7.258 1.00 61.52 H new ATOM 0 HG3 MET A 96 24.812 3.707 8.347 1.00 61.52 H new ATOM 0 HE1 MET A 96 24.874 5.836 4.979 1.00 32.23 H new ATOM 0 HE2 MET A 96 23.487 4.912 5.604 1.00 32.23 H new ATOM 0 HE3 MET A 96 24.495 5.867 6.718 1.00 32.23 H new ATOM 1432 N VAL A 97 22.885 -0.290 8.029 1.00 41.10 N ATOM 1433 CA VAL A 97 22.217 -1.500 7.566 1.00 65.53 C ATOM 1434 C VAL A 97 22.061 -1.496 6.049 1.00 11.33 C ATOM 1435 O VAL A 97 21.982 -0.437 5.427 1.00 14.15 O ATOM 1436 CB VAL A 97 20.829 -1.659 8.214 1.00 42.23 C ATOM 1437 CG1 VAL A 97 20.962 -1.883 9.712 1.00 14.54 C ATOM 1438 CG2 VAL A 97 19.964 -0.442 7.922 1.00 32.13 C ATOM 0 H VAL A 97 22.348 0.566 7.893 1.00 41.10 H new ATOM 0 HA VAL A 97 22.845 -2.340 7.861 1.00 65.53 H new ATOM 0 HB VAL A 97 20.343 -2.534 7.783 1.00 42.23 H new ATOM 0 HG11 VAL A 97 19.971 -1.993 10.153 1.00 14.54 H new ATOM 0 HG12 VAL A 97 21.543 -2.787 9.895 1.00 14.54 H new ATOM 0 HG13 VAL A 97 21.467 -1.030 10.164 1.00 14.54 H new ATOM 0 HG21 VAL A 97 18.987 -0.570 8.387 1.00 32.13 H new ATOM 0 HG22 VAL A 97 20.443 0.450 8.325 1.00 32.13 H new ATOM 0 HG23 VAL A 97 19.842 -0.333 6.844 1.00 32.13 H new