USER MOD reduce.3.24.130724 H: found=0, std=0, add=492, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 493 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 49 ASN : amide:sc= -2.2 K(o=-1.3,f=-4.3!) USER MOD Set 1.2: A 52 THR OG1 : rot 84:sc= 0.884 USER MOD Set 2.1: A 31 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 34 SER OG : rot -120:sc= 0.987 USER MOD Single : A 29 ASN : amide:sc= -1.41 X(o=-1.4,f=-1.4) USER MOD Single : A 32 TYR OH : rot 180:sc= -0.0242 USER MOD Single : A 35 THR OG1 : rot -96:sc= 0.0782 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.224 K(o=-0.22,f=-1) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 150:sc= -0.804 USER MOD Single : A 60 ASN : amide:sc= -2.93! C(o=-2.9!,f=-12!) USER MOD Single : A 63 GLN : amide:sc= -0.0938 X(o=-0.094,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.144 X(o=-0.14,f=-0.059) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= -0.133 (180deg=-0.133) USER MOD Single : A 74 THR OG1 : rot -68:sc= 0.442 USER MOD Single : A 76 CYS SG : rot 26:sc= -0.258 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.521 X(o=-0.52,f=-0.57) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -1.89! C(o=-1.9!,f=-3.8!) USER MOD Single : A 90 LYS NZ :NH3+ -148:sc= -0.219 (180deg=-1.26) USER MOD ----------------------------------------------------------------- ATOM 390 N ILE A 28 -38.539 1.368 -11.313 1.00 0.00 N ATOM 391 CA ILE A 28 -37.945 2.698 -11.358 1.00 0.00 C ATOM 392 C ILE A 28 -38.191 3.364 -12.708 1.00 0.00 C ATOM 393 O ILE A 28 -38.197 2.704 -13.745 1.00 0.00 O ATOM 394 CB ILE A 28 -36.429 2.647 -11.093 1.00 0.00 C ATOM 395 CG1 ILE A 28 -36.135 1.809 -9.847 1.00 0.00 C ATOM 396 CG2 ILE A 28 -35.870 4.053 -10.936 1.00 0.00 C ATOM 397 CD1 ILE A 28 -36.702 2.399 -8.575 1.00 0.00 C ATOM 0 HA ILE A 28 -38.423 3.284 -10.573 1.00 0.00 H new ATOM 0 HB ILE A 28 -35.942 2.177 -11.948 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -36.543 0.808 -9.987 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -35.056 1.701 -9.738 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -34.797 3.999 -10.749 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -36.051 4.621 -11.849 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -36.360 4.548 -10.097 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -36.455 1.753 -7.733 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -36.275 3.388 -8.411 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -37.785 2.482 -8.664 1.00 0.00 H new ATOM 409 N ASN A 29 -38.392 4.678 -12.685 1.00 0.00 N ATOM 410 CA ASN A 29 -38.637 5.435 -13.907 1.00 0.00 C ATOM 411 C ASN A 29 -38.172 6.880 -13.755 1.00 0.00 C ATOM 412 O ASN A 29 -38.135 7.417 -12.647 1.00 0.00 O ATOM 413 CB ASN A 29 -40.125 5.402 -14.262 1.00 0.00 C ATOM 414 CG ASN A 29 -40.696 3.997 -14.231 1.00 0.00 C ATOM 415 OD1 ASN A 29 -41.281 3.575 -13.234 1.00 0.00 O ATOM 416 ND2 ASN A 29 -40.527 3.265 -15.326 1.00 0.00 N ATOM 0 H ASN A 29 -38.390 5.240 -11.834 1.00 0.00 H new ATOM 0 HA ASN A 29 -38.067 4.971 -14.712 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -40.676 6.031 -13.563 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -40.268 5.828 -15.255 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -40.889 2.312 -15.363 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -40.035 3.656 -16.130 1.00 0.00 H new ATOM 423 N ILE A 30 -37.818 7.503 -14.874 1.00 0.00 N ATOM 424 CA ILE A 30 -37.357 8.886 -14.865 1.00 0.00 C ATOM 425 C ILE A 30 -38.144 9.734 -15.858 1.00 0.00 C ATOM 426 O ILE A 30 -38.682 9.222 -16.841 1.00 0.00 O ATOM 427 CB ILE A 30 -35.857 8.981 -15.200 1.00 0.00 C ATOM 428 CG1 ILE A 30 -35.527 8.108 -16.413 1.00 0.00 C ATOM 429 CG2 ILE A 30 -35.019 8.568 -14.000 1.00 0.00 C ATOM 430 CD1 ILE A 30 -34.062 8.125 -16.789 1.00 0.00 C ATOM 0 H ILE A 30 -37.842 7.072 -15.798 1.00 0.00 H new ATOM 0 HA ILE A 30 -37.520 9.267 -13.857 1.00 0.00 H new ATOM 0 HB ILE A 30 -35.619 10.016 -15.445 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -35.828 7.081 -16.204 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -36.116 8.446 -17.265 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -33.961 8.640 -14.253 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -35.237 9.227 -13.160 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -35.257 7.540 -13.726 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -33.902 7.485 -17.656 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -33.760 9.144 -17.029 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -33.467 7.758 -15.952 1.00 0.00 H new ATOM 442 N THR A 31 -38.205 11.036 -15.598 1.00 0.00 N ATOM 443 CA THR A 31 -38.925 11.957 -16.469 1.00 0.00 C ATOM 444 C THR A 31 -38.090 13.197 -16.767 1.00 0.00 C ATOM 445 O THR A 31 -36.971 13.337 -16.274 1.00 0.00 O ATOM 446 CB THR A 31 -40.264 12.391 -15.843 1.00 0.00 C ATOM 447 OG1 THR A 31 -40.097 12.624 -14.440 1.00 0.00 O ATOM 448 CG2 THR A 31 -41.333 11.331 -16.063 1.00 0.00 C ATOM 0 H THR A 31 -37.764 11.477 -14.791 1.00 0.00 H new ATOM 0 HA THR A 31 -39.123 11.424 -17.399 1.00 0.00 H new ATOM 0 HB THR A 31 -40.584 13.313 -16.328 1.00 0.00 H new ATOM 0 HG1 THR A 31 -40.952 12.901 -14.050 1.00 0.00 H new ATOM 0 HG21 THR A 31 -42.269 11.660 -15.612 1.00 0.00 H new ATOM 0 HG22 THR A 31 -41.479 11.178 -17.132 1.00 0.00 H new ATOM 0 HG23 THR A 31 -41.017 10.395 -15.602 1.00 0.00 H new ATOM 456 N TYR A 32 -38.642 14.095 -17.576 1.00 0.00 N ATOM 457 CA TYR A 32 -37.947 15.324 -17.941 1.00 0.00 C ATOM 458 C TYR A 32 -37.746 16.219 -16.723 1.00 0.00 C ATOM 459 O TYR A 32 -36.921 17.132 -16.738 1.00 0.00 O ATOM 460 CB TYR A 32 -38.730 16.077 -19.018 1.00 0.00 C ATOM 461 CG TYR A 32 -38.260 15.784 -20.425 1.00 0.00 C ATOM 462 CD1 TYR A 32 -36.981 16.135 -20.838 1.00 0.00 C ATOM 463 CD2 TYR A 32 -39.095 15.156 -21.341 1.00 0.00 C ATOM 464 CE1 TYR A 32 -36.548 15.870 -22.123 1.00 0.00 C ATOM 465 CE2 TYR A 32 -38.670 14.886 -22.627 1.00 0.00 C ATOM 466 CZ TYR A 32 -37.396 15.246 -23.014 1.00 0.00 C ATOM 467 OH TYR A 32 -36.967 14.979 -24.294 1.00 0.00 O ATOM 0 H TYR A 32 -39.568 13.995 -17.991 1.00 0.00 H new ATOM 0 HA TYR A 32 -36.968 15.054 -18.336 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -39.786 15.818 -18.935 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -38.649 17.148 -18.832 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -36.314 16.623 -20.143 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -40.094 14.874 -21.042 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -35.551 16.150 -22.428 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -39.332 14.396 -23.326 1.00 0.00 H new ATOM 0 HH TYR A 32 -37.684 14.535 -24.794 1.00 0.00 H new ATOM 477 N ASP A 33 -38.507 15.950 -15.667 1.00 0.00 N ATOM 478 CA ASP A 33 -38.413 16.729 -14.438 1.00 0.00 C ATOM 479 C ASP A 33 -37.929 15.862 -13.281 1.00 0.00 C ATOM 480 O ASP A 33 -38.415 15.982 -12.156 1.00 0.00 O ATOM 481 CB ASP A 33 -39.770 17.347 -14.096 1.00 0.00 C ATOM 482 CG ASP A 33 -40.183 18.420 -15.084 1.00 0.00 C ATOM 483 OD1 ASP A 33 -40.842 18.080 -16.088 1.00 0.00 O ATOM 484 OD2 ASP A 33 -39.846 19.601 -14.853 1.00 0.00 O ATOM 0 H ASP A 33 -39.196 15.198 -15.638 1.00 0.00 H new ATOM 0 HA ASP A 33 -37.689 17.528 -14.597 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -40.528 16.564 -14.077 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -39.729 17.776 -13.095 1.00 0.00 H new ATOM 489 N SER A 34 -36.970 14.987 -13.565 1.00 0.00 N ATOM 490 CA SER A 34 -36.423 14.095 -12.548 1.00 0.00 C ATOM 491 C SER A 34 -35.117 14.649 -11.986 1.00 0.00 C ATOM 492 O SER A 34 -34.547 15.599 -12.525 1.00 0.00 O ATOM 493 CB SER A 34 -36.188 12.702 -13.135 1.00 0.00 C ATOM 494 OG SER A 34 -37.381 11.936 -13.123 1.00 0.00 O ATOM 0 H SER A 34 -36.555 14.876 -14.490 1.00 0.00 H new ATOM 0 HA SER A 34 -37.146 14.022 -11.736 1.00 0.00 H new ATOM 0 HB2 SER A 34 -35.820 12.792 -14.157 1.00 0.00 H new ATOM 0 HB3 SER A 34 -35.416 12.188 -12.562 1.00 0.00 H new ATOM 0 HG SER A 34 -37.246 11.128 -12.585 1.00 0.00 H new ATOM 500 N THR A 35 -34.647 14.049 -10.897 1.00 0.00 N ATOM 501 CA THR A 35 -33.410 14.481 -10.259 1.00 0.00 C ATOM 502 C THR A 35 -32.230 13.630 -10.715 1.00 0.00 C ATOM 503 O THR A 35 -32.386 12.485 -11.139 1.00 0.00 O ATOM 504 CB THR A 35 -33.515 14.412 -8.724 1.00 0.00 C ATOM 505 OG1 THR A 35 -33.137 13.109 -8.265 1.00 0.00 O ATOM 506 CG2 THR A 35 -34.931 14.726 -8.264 1.00 0.00 C ATOM 0 H THR A 35 -35.105 13.262 -10.438 1.00 0.00 H new ATOM 0 HA THR A 35 -33.245 15.516 -10.558 1.00 0.00 H new ATOM 0 HB THR A 35 -32.839 15.156 -8.302 1.00 0.00 H new ATOM 0 HG1 THR A 35 -33.939 12.559 -8.144 1.00 0.00 H new ATOM 0 HG21 THR A 35 -34.981 14.671 -7.177 1.00 0.00 H new ATOM 0 HG22 THR A 35 -35.205 15.729 -8.590 1.00 0.00 H new ATOM 0 HG23 THR A 35 -35.623 14.003 -8.696 1.00 0.00 H new ATOM 514 N PRO A 36 -31.019 14.200 -10.626 1.00 0.00 N ATOM 515 CA PRO A 36 -29.788 13.511 -11.023 1.00 0.00 C ATOM 516 C PRO A 36 -29.430 12.371 -10.076 1.00 0.00 C ATOM 517 O PRO A 36 -28.515 11.593 -10.344 1.00 0.00 O ATOM 518 CB PRO A 36 -28.728 14.613 -10.960 1.00 0.00 C ATOM 519 CG PRO A 36 -29.263 15.597 -9.978 1.00 0.00 C ATOM 520 CD PRO A 36 -30.758 15.562 -10.129 1.00 0.00 C ATOM 0 HA PRO A 36 -29.880 13.046 -12.004 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -27.764 14.217 -10.639 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -28.575 15.072 -11.937 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -28.967 15.335 -8.962 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -28.874 16.596 -10.175 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -31.262 15.747 -9.180 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -31.109 16.320 -10.830 1.00 0.00 H new ATOM 528 N GLU A 37 -30.157 12.279 -8.967 1.00 0.00 N ATOM 529 CA GLU A 37 -29.914 11.234 -7.979 1.00 0.00 C ATOM 530 C GLU A 37 -30.808 10.024 -8.237 1.00 0.00 C ATOM 531 O GLU A 37 -30.473 8.900 -7.861 1.00 0.00 O ATOM 532 CB GLU A 37 -30.158 11.769 -6.567 1.00 0.00 C ATOM 533 CG GLU A 37 -29.247 11.154 -5.517 1.00 0.00 C ATOM 534 CD GLU A 37 -29.371 11.833 -4.167 1.00 0.00 C ATOM 535 OE1 GLU A 37 -30.423 11.666 -3.514 1.00 0.00 O ATOM 536 OE2 GLU A 37 -28.418 12.530 -3.763 1.00 0.00 O ATOM 0 H GLU A 37 -30.919 12.915 -8.730 1.00 0.00 H new ATOM 0 HA GLU A 37 -28.873 10.922 -8.067 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -30.019 12.850 -6.568 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -31.196 11.581 -6.291 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -29.485 10.096 -5.410 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -28.213 11.216 -5.857 1.00 0.00 H new ATOM 543 N ASP A 38 -31.946 10.262 -8.880 1.00 0.00 N ATOM 544 CA ASP A 38 -32.888 9.193 -9.189 1.00 0.00 C ATOM 545 C ASP A 38 -32.408 8.374 -10.383 1.00 0.00 C ATOM 546 O ASP A 38 -32.556 7.152 -10.411 1.00 0.00 O ATOM 547 CB ASP A 38 -34.274 9.772 -9.476 1.00 0.00 C ATOM 548 CG ASP A 38 -35.171 9.759 -8.254 1.00 0.00 C ATOM 549 OD1 ASP A 38 -35.533 8.655 -7.795 1.00 0.00 O ATOM 550 OD2 ASP A 38 -35.511 10.853 -7.757 1.00 0.00 O ATOM 0 H ASP A 38 -32.238 11.186 -9.197 1.00 0.00 H new ATOM 0 HA ASP A 38 -32.950 8.536 -8.322 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -34.170 10.796 -9.836 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -34.745 9.200 -10.275 1.00 0.00 H new ATOM 555 N VAL A 39 -31.833 9.055 -11.369 1.00 0.00 N ATOM 556 CA VAL A 39 -31.331 8.391 -12.566 1.00 0.00 C ATOM 557 C VAL A 39 -30.303 7.322 -12.211 1.00 0.00 C ATOM 558 O VAL A 39 -30.257 6.259 -12.831 1.00 0.00 O ATOM 559 CB VAL A 39 -30.692 9.398 -13.540 1.00 0.00 C ATOM 560 CG1 VAL A 39 -30.251 8.700 -14.817 1.00 0.00 C ATOM 561 CG2 VAL A 39 -31.663 10.528 -13.850 1.00 0.00 C ATOM 0 H VAL A 39 -31.703 10.067 -11.362 1.00 0.00 H new ATOM 0 HA VAL A 39 -32.187 7.921 -13.050 1.00 0.00 H new ATOM 0 HB VAL A 39 -29.810 9.826 -13.065 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -29.802 9.428 -15.493 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -29.519 7.929 -14.576 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -31.115 8.243 -15.299 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -31.195 11.231 -14.540 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -32.565 10.118 -14.305 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -31.925 11.046 -12.927 1.00 0.00 H new ATOM 571 N LYS A 40 -29.479 7.611 -11.209 1.00 0.00 N ATOM 572 CA LYS A 40 -28.452 6.675 -10.769 1.00 0.00 C ATOM 573 C LYS A 40 -29.054 5.304 -10.475 1.00 0.00 C ATOM 574 O LYS A 40 -28.512 4.276 -10.880 1.00 0.00 O ATOM 575 CB LYS A 40 -27.744 7.211 -9.523 1.00 0.00 C ATOM 576 CG LYS A 40 -26.252 6.928 -9.501 1.00 0.00 C ATOM 577 CD LYS A 40 -25.572 7.612 -8.327 1.00 0.00 C ATOM 578 CE LYS A 40 -24.491 8.575 -8.793 1.00 0.00 C ATOM 579 NZ LYS A 40 -23.327 8.594 -7.865 1.00 0.00 N ATOM 0 H LYS A 40 -29.503 8.487 -10.686 1.00 0.00 H new ATOM 0 HA LYS A 40 -27.725 6.568 -11.574 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -27.902 8.288 -9.461 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -28.202 6.770 -8.638 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -26.086 5.852 -9.443 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -25.802 7.270 -10.433 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -26.314 8.153 -7.740 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -25.133 6.860 -7.671 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -24.156 8.290 -9.790 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -24.909 9.579 -8.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -22.613 9.262 -8.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -23.642 8.891 -6.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -22.912 7.642 -7.809 1.00 0.00 H new ATOM 593 N THR A 41 -30.180 5.297 -9.769 1.00 0.00 N ATOM 594 CA THR A 41 -30.857 4.054 -9.421 1.00 0.00 C ATOM 595 C THR A 41 -31.574 3.462 -10.628 1.00 0.00 C ATOM 596 O THR A 41 -31.585 2.246 -10.820 1.00 0.00 O ATOM 597 CB THR A 41 -31.876 4.267 -8.286 1.00 0.00 C ATOM 598 OG1 THR A 41 -31.211 4.755 -7.115 1.00 0.00 O ATOM 599 CG2 THR A 41 -32.603 2.971 -7.960 1.00 0.00 C ATOM 0 H THR A 41 -30.643 6.139 -9.427 1.00 0.00 H new ATOM 0 HA THR A 41 -30.088 3.360 -9.082 1.00 0.00 H new ATOM 0 HB THR A 41 -32.609 5.002 -8.620 1.00 0.00 H new ATOM 0 HG1 THR A 41 -31.866 4.889 -6.399 1.00 0.00 H new ATOM 0 HG21 THR A 41 -33.317 3.147 -7.156 1.00 0.00 H new ATOM 0 HG22 THR A 41 -33.133 2.618 -8.845 1.00 0.00 H new ATOM 0 HG23 THR A 41 -31.881 2.218 -7.646 1.00 0.00 H new ATOM 607 N TRP A 42 -32.170 4.328 -11.439 1.00 0.00 N ATOM 608 CA TRP A 42 -32.890 3.889 -12.630 1.00 0.00 C ATOM 609 C TRP A 42 -31.984 3.069 -13.542 1.00 0.00 C ATOM 610 O TRP A 42 -32.427 2.107 -14.172 1.00 0.00 O ATOM 611 CB TRP A 42 -33.442 5.095 -13.391 1.00 0.00 C ATOM 612 CG TRP A 42 -34.180 4.722 -14.641 1.00 0.00 C ATOM 613 CD1 TRP A 42 -35.464 4.267 -14.730 1.00 0.00 C ATOM 614 CD2 TRP A 42 -33.676 4.771 -15.980 1.00 0.00 C ATOM 615 NE1 TRP A 42 -35.789 4.030 -16.043 1.00 0.00 N ATOM 616 CE2 TRP A 42 -34.710 4.332 -16.830 1.00 0.00 C ATOM 617 CE3 TRP A 42 -32.454 5.146 -16.544 1.00 0.00 C ATOM 618 CZ2 TRP A 42 -34.555 4.257 -18.212 1.00 0.00 C ATOM 619 CZ3 TRP A 42 -32.302 5.070 -17.915 1.00 0.00 C ATOM 620 CH2 TRP A 42 -33.348 4.629 -18.737 1.00 0.00 C ATOM 0 H TRP A 42 -32.169 5.338 -11.294 1.00 0.00 H new ATOM 0 HA TRP A 42 -33.720 3.259 -12.311 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -34.111 5.654 -12.736 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -32.618 5.761 -13.649 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -36.127 4.116 -13.891 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -36.689 3.685 -16.378 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -31.643 5.489 -15.919 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -35.360 3.917 -18.847 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -31.361 5.355 -18.361 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -33.198 4.582 -19.806 1.00 0.00 H new ATOM 631 N LEU A 43 -30.714 3.453 -13.609 1.00 0.00 N ATOM 632 CA LEU A 43 -29.746 2.752 -14.444 1.00 0.00 C ATOM 633 C LEU A 43 -29.348 1.420 -13.817 1.00 0.00 C ATOM 634 O LEU A 43 -29.214 0.412 -14.510 1.00 0.00 O ATOM 635 CB LEU A 43 -28.503 3.620 -14.656 1.00 0.00 C ATOM 636 CG LEU A 43 -28.745 4.999 -15.270 1.00 0.00 C ATOM 637 CD1 LEU A 43 -27.827 6.033 -14.637 1.00 0.00 C ATOM 638 CD2 LEU A 43 -28.542 4.955 -16.777 1.00 0.00 C ATOM 0 H LEU A 43 -30.331 4.246 -13.095 1.00 0.00 H new ATOM 0 HA LEU A 43 -30.213 2.553 -15.409 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -28.010 3.754 -13.693 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -27.809 3.076 -15.297 1.00 0.00 H new ATOM 0 HG LEU A 43 -29.777 5.288 -15.071 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -28.013 7.008 -15.086 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -28.021 6.084 -13.566 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -26.788 5.749 -14.805 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -28.718 5.945 -17.197 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -27.521 4.644 -16.998 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -29.241 4.244 -17.218 1.00 0.00 H new ATOM 650 N GLN A 44 -29.164 1.423 -12.501 1.00 0.00 N ATOM 651 CA GLN A 44 -28.783 0.214 -11.780 1.00 0.00 C ATOM 652 C GLN A 44 -29.900 -0.823 -11.830 1.00 0.00 C ATOM 653 O GLN A 44 -29.652 -2.006 -12.065 1.00 0.00 O ATOM 654 CB GLN A 44 -28.445 0.547 -10.326 1.00 0.00 C ATOM 655 CG GLN A 44 -27.132 1.295 -10.162 1.00 0.00 C ATOM 656 CD GLN A 44 -26.244 0.687 -9.094 1.00 0.00 C ATOM 657 OE1 GLN A 44 -26.240 -0.527 -8.890 1.00 0.00 O ATOM 658 NE2 GLN A 44 -25.484 1.531 -8.405 1.00 0.00 N ATOM 0 H GLN A 44 -29.272 2.249 -11.912 1.00 0.00 H new ATOM 0 HA GLN A 44 -27.901 -0.205 -12.264 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -29.251 1.147 -9.903 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -28.401 -0.378 -9.751 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -26.599 1.299 -11.113 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -27.340 2.335 -9.908 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -25.519 2.530 -8.607 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -24.866 1.180 -7.674 1.00 0.00 H new ATOM 667 N SER A 45 -31.131 -0.373 -11.608 1.00 0.00 N ATOM 668 CA SER A 45 -32.285 -1.263 -11.624 1.00 0.00 C ATOM 669 C SER A 45 -32.327 -2.075 -12.915 1.00 0.00 C ATOM 670 O SER A 45 -32.480 -3.297 -12.889 1.00 0.00 O ATOM 671 CB SER A 45 -33.578 -0.459 -11.472 1.00 0.00 C ATOM 672 OG SER A 45 -34.655 -1.093 -12.141 1.00 0.00 O ATOM 0 H SER A 45 -31.354 0.603 -11.415 1.00 0.00 H new ATOM 0 HA SER A 45 -32.193 -1.952 -10.784 1.00 0.00 H new ATOM 0 HB2 SER A 45 -33.818 -0.347 -10.415 1.00 0.00 H new ATOM 0 HB3 SER A 45 -33.436 0.544 -11.875 1.00 0.00 H new ATOM 0 HG SER A 45 -35.470 -0.560 -12.027 1.00 0.00 H new ATOM 678 N LYS A 46 -32.190 -1.388 -14.043 1.00 0.00 N ATOM 679 CA LYS A 46 -32.211 -2.043 -15.346 1.00 0.00 C ATOM 680 C LYS A 46 -31.068 -3.046 -15.469 1.00 0.00 C ATOM 681 O LYS A 46 -31.119 -3.962 -16.288 1.00 0.00 O ATOM 682 CB LYS A 46 -32.113 -1.003 -16.464 1.00 0.00 C ATOM 683 CG LYS A 46 -33.270 -0.019 -16.483 1.00 0.00 C ATOM 684 CD LYS A 46 -34.593 -0.719 -16.745 1.00 0.00 C ATOM 685 CE LYS A 46 -35.709 0.279 -17.012 1.00 0.00 C ATOM 686 NZ LYS A 46 -37.055 -0.330 -16.823 1.00 0.00 N ATOM 0 H LYS A 46 -32.063 -0.377 -14.082 1.00 0.00 H new ATOM 0 HA LYS A 46 -33.155 -2.580 -15.440 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -31.179 -0.451 -16.354 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -32.069 -1.517 -17.424 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -33.318 0.506 -15.529 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -33.097 0.733 -17.253 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -34.489 -1.387 -17.600 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -34.855 -1.338 -15.887 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -35.600 1.133 -16.344 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -35.622 0.658 -18.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -37.788 0.382 -17.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -37.169 -1.129 -17.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -37.148 -0.669 -15.844 1.00 0.00 H new ATOM 700 N GLY A 47 -30.038 -2.866 -14.647 1.00 0.00 N ATOM 701 CA GLY A 47 -28.898 -3.764 -14.679 1.00 0.00 C ATOM 702 C GLY A 47 -27.788 -3.259 -15.579 1.00 0.00 C ATOM 703 O GLY A 47 -27.197 -4.027 -16.339 1.00 0.00 O ATOM 0 H GLY A 47 -29.973 -2.115 -13.960 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -28.512 -3.892 -13.668 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -29.222 -4.746 -15.023 1.00 0.00 H new ATOM 707 N PHE A 48 -27.504 -1.964 -15.496 1.00 0.00 N ATOM 708 CA PHE A 48 -26.459 -1.357 -16.312 1.00 0.00 C ATOM 709 C PHE A 48 -25.136 -1.306 -15.552 1.00 0.00 C ATOM 710 O PHE A 48 -25.115 -1.154 -14.332 1.00 0.00 O ATOM 711 CB PHE A 48 -26.869 0.055 -16.737 1.00 0.00 C ATOM 712 CG PHE A 48 -27.751 0.082 -17.953 1.00 0.00 C ATOM 713 CD1 PHE A 48 -27.234 -0.204 -19.206 1.00 0.00 C ATOM 714 CD2 PHE A 48 -29.097 0.392 -17.842 1.00 0.00 C ATOM 715 CE1 PHE A 48 -28.042 -0.178 -20.326 1.00 0.00 C ATOM 716 CE2 PHE A 48 -29.911 0.419 -18.959 1.00 0.00 C ATOM 717 CZ PHE A 48 -29.383 0.132 -20.203 1.00 0.00 C ATOM 0 H PHE A 48 -27.983 -1.314 -14.872 1.00 0.00 H new ATOM 0 HA PHE A 48 -26.325 -1.973 -17.201 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -27.389 0.538 -15.910 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -25.972 0.641 -16.936 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -26.187 -0.450 -19.308 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -29.515 0.615 -16.871 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -27.626 -0.400 -21.298 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -30.958 0.664 -18.859 1.00 0.00 H new ATOM 0 HZ PHE A 48 -30.017 0.150 -21.077 1.00 0.00 H new ATOM 727 N ASN A 49 -24.035 -1.437 -16.285 1.00 0.00 N ATOM 728 CA ASN A 49 -22.708 -1.408 -15.681 1.00 0.00 C ATOM 729 C ASN A 49 -22.535 -0.169 -14.807 1.00 0.00 C ATOM 730 O ASN A 49 -23.203 0.848 -14.989 1.00 0.00 O ATOM 731 CB ASN A 49 -21.630 -1.434 -16.766 1.00 0.00 C ATOM 732 CG ASN A 49 -21.578 -0.144 -17.561 1.00 0.00 C ATOM 733 OD1 ASN A 49 -22.478 0.691 -17.469 1.00 0.00 O ATOM 734 ND2 ASN A 49 -20.522 0.025 -18.348 1.00 0.00 N ATOM 0 H ASN A 49 -24.036 -1.564 -17.297 1.00 0.00 H new ATOM 0 HA ASN A 49 -22.603 -2.292 -15.053 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -20.659 -1.613 -16.305 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -21.820 -2.267 -17.443 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -20.433 0.873 -18.907 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -19.800 -0.694 -18.393 1.00 0.00 H new ATOM 741 N PRO A 50 -21.615 -0.256 -13.833 1.00 0.00 N ATOM 742 CA PRO A 50 -21.332 0.849 -12.912 1.00 0.00 C ATOM 743 C PRO A 50 -20.633 2.015 -13.603 1.00 0.00 C ATOM 744 O PRO A 50 -20.756 3.165 -13.180 1.00 0.00 O ATOM 745 CB PRO A 50 -20.408 0.213 -11.870 1.00 0.00 C ATOM 746 CG PRO A 50 -19.760 -0.924 -12.582 1.00 0.00 C ATOM 747 CD PRO A 50 -20.782 -1.438 -13.558 1.00 0.00 C ATOM 0 HA PRO A 50 -22.244 1.273 -12.492 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -19.668 0.927 -11.509 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -20.969 -0.132 -11.001 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -18.857 -0.598 -13.098 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -19.462 -1.704 -11.882 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -20.315 -1.820 -14.465 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -21.368 -2.253 -13.134 1.00 0.00 H new ATOM 755 N VAL A 51 -19.900 1.712 -14.670 1.00 0.00 N ATOM 756 CA VAL A 51 -19.182 2.735 -15.420 1.00 0.00 C ATOM 757 C VAL A 51 -20.146 3.754 -16.019 1.00 0.00 C ATOM 758 O VAL A 51 -19.769 4.893 -16.298 1.00 0.00 O ATOM 759 CB VAL A 51 -18.340 2.115 -16.551 1.00 0.00 C ATOM 760 CG1 VAL A 51 -17.685 3.204 -17.387 1.00 0.00 C ATOM 761 CG2 VAL A 51 -17.295 1.169 -15.979 1.00 0.00 C ATOM 0 H VAL A 51 -19.788 0.766 -15.034 1.00 0.00 H new ATOM 0 HA VAL A 51 -18.518 3.236 -14.716 1.00 0.00 H new ATOM 0 HB VAL A 51 -19.001 1.540 -17.200 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -17.094 2.747 -18.181 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -18.455 3.838 -17.826 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -17.036 3.808 -16.753 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -16.709 0.740 -16.792 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -16.636 1.719 -15.307 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -17.791 0.370 -15.428 1.00 0.00 H new ATOM 771 N THR A 52 -21.393 3.337 -16.214 1.00 0.00 N ATOM 772 CA THR A 52 -22.412 4.212 -16.780 1.00 0.00 C ATOM 773 C THR A 52 -23.182 4.940 -15.685 1.00 0.00 C ATOM 774 O THR A 52 -23.440 6.140 -15.785 1.00 0.00 O ATOM 775 CB THR A 52 -23.405 3.425 -17.655 1.00 0.00 C ATOM 776 OG1 THR A 52 -22.730 2.878 -18.793 1.00 0.00 O ATOM 777 CG2 THR A 52 -24.545 4.320 -18.118 1.00 0.00 C ATOM 0 H THR A 52 -21.722 2.398 -15.988 1.00 0.00 H new ATOM 0 HA THR A 52 -21.892 4.942 -17.401 1.00 0.00 H new ATOM 0 HB THR A 52 -23.820 2.615 -17.055 1.00 0.00 H new ATOM 0 HG1 THR A 52 -22.301 2.033 -18.544 1.00 0.00 H new ATOM 0 HG21 THR A 52 -25.234 3.742 -18.734 1.00 0.00 H new ATOM 0 HG22 THR A 52 -25.076 4.711 -17.250 1.00 0.00 H new ATOM 0 HG23 THR A 52 -24.143 5.148 -18.702 1.00 0.00 H new ATOM 785 N VAL A 53 -23.548 4.207 -14.638 1.00 0.00 N ATOM 786 CA VAL A 53 -24.288 4.783 -13.522 1.00 0.00 C ATOM 787 C VAL A 53 -23.469 5.860 -12.817 1.00 0.00 C ATOM 788 O VAL A 53 -24.011 6.681 -12.079 1.00 0.00 O ATOM 789 CB VAL A 53 -24.688 3.705 -12.497 1.00 0.00 C ATOM 790 CG1 VAL A 53 -25.593 4.296 -11.427 1.00 0.00 C ATOM 791 CG2 VAL A 53 -25.366 2.535 -13.194 1.00 0.00 C ATOM 0 H VAL A 53 -23.344 3.213 -14.540 1.00 0.00 H new ATOM 0 HA VAL A 53 -25.191 5.230 -13.938 1.00 0.00 H new ATOM 0 HB VAL A 53 -23.785 3.336 -12.011 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -25.865 3.520 -10.712 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -25.068 5.099 -10.909 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -26.495 4.693 -11.892 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -25.642 1.782 -12.456 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -26.261 2.886 -13.707 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -24.681 2.097 -13.920 1.00 0.00 H new ATOM 801 N ASN A 54 -22.161 5.848 -13.051 1.00 0.00 N ATOM 802 CA ASN A 54 -21.267 6.824 -12.438 1.00 0.00 C ATOM 803 C ASN A 54 -21.132 8.065 -13.316 1.00 0.00 C ATOM 804 O ASN A 54 -21.033 9.184 -12.814 1.00 0.00 O ATOM 805 CB ASN A 54 -19.889 6.203 -12.198 1.00 0.00 C ATOM 806 CG ASN A 54 -19.518 6.171 -10.728 1.00 0.00 C ATOM 807 OD1 ASN A 54 -18.932 7.118 -10.203 1.00 0.00 O ATOM 808 ND2 ASN A 54 -19.858 5.077 -10.056 1.00 0.00 N ATOM 0 H ASN A 54 -21.697 5.174 -13.660 1.00 0.00 H new ATOM 0 HA ASN A 54 -21.696 7.123 -11.481 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -19.877 5.188 -12.595 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -19.137 6.770 -12.748 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -19.634 4.998 -9.064 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -20.343 4.316 -10.532 1.00 0.00 H new ATOM 815 N SER A 55 -21.130 7.857 -14.628 1.00 0.00 N ATOM 816 CA SER A 55 -21.005 8.958 -15.576 1.00 0.00 C ATOM 817 C SER A 55 -22.344 9.664 -15.769 1.00 0.00 C ATOM 818 O SER A 55 -22.400 10.888 -15.899 1.00 0.00 O ATOM 819 CB SER A 55 -20.489 8.444 -16.922 1.00 0.00 C ATOM 820 OG SER A 55 -19.663 9.408 -17.553 1.00 0.00 O ATOM 0 H SER A 55 -21.213 6.936 -15.059 1.00 0.00 H new ATOM 0 HA SER A 55 -20.291 9.675 -15.170 1.00 0.00 H new ATOM 0 HB2 SER A 55 -19.928 7.522 -16.772 1.00 0.00 H new ATOM 0 HB3 SER A 55 -21.332 8.202 -17.570 1.00 0.00 H new ATOM 0 HG SER A 55 -18.992 8.953 -18.104 1.00 0.00 H new ATOM 826 N LEU A 56 -23.419 8.885 -15.785 1.00 0.00 N ATOM 827 CA LEU A 56 -24.759 9.434 -15.962 1.00 0.00 C ATOM 828 C LEU A 56 -25.519 9.451 -14.639 1.00 0.00 C ATOM 829 O LEU A 56 -26.749 9.483 -14.618 1.00 0.00 O ATOM 830 CB LEU A 56 -25.534 8.618 -16.998 1.00 0.00 C ATOM 831 CG LEU A 56 -24.786 8.291 -18.291 1.00 0.00 C ATOM 832 CD1 LEU A 56 -25.569 7.285 -19.120 1.00 0.00 C ATOM 833 CD2 LEU A 56 -24.528 9.559 -19.092 1.00 0.00 C ATOM 0 H LEU A 56 -23.390 7.871 -15.678 1.00 0.00 H new ATOM 0 HA LEU A 56 -24.661 10.460 -16.317 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -25.845 7.682 -16.535 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -26.442 9.163 -17.255 1.00 0.00 H new ATOM 0 HG LEU A 56 -23.825 7.847 -18.031 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.022 7.064 -20.036 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -25.703 6.367 -18.547 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -26.544 7.701 -19.371 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.995 9.308 -20.009 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -25.478 10.031 -19.342 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -23.926 10.248 -18.499 1.00 0.00 H new ATOM 845 N GLY A 57 -24.777 9.432 -13.536 1.00 0.00 N ATOM 846 CA GLY A 57 -25.398 9.448 -12.224 1.00 0.00 C ATOM 847 C GLY A 57 -25.403 10.830 -11.602 1.00 0.00 C ATOM 848 O GLY A 57 -25.780 10.995 -10.442 1.00 0.00 O ATOM 0 H GLY A 57 -23.757 9.406 -13.527 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -26.423 9.086 -12.306 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -24.868 8.759 -11.566 1.00 0.00 H new ATOM 852 N VAL A 58 -24.981 11.826 -12.374 1.00 0.00 N ATOM 853 CA VAL A 58 -24.937 13.201 -11.891 1.00 0.00 C ATOM 854 C VAL A 58 -25.873 14.096 -12.696 1.00 0.00 C ATOM 855 O VAL A 58 -26.212 15.201 -12.270 1.00 0.00 O ATOM 856 CB VAL A 58 -23.510 13.776 -11.960 1.00 0.00 C ATOM 857 CG1 VAL A 58 -22.641 13.182 -10.861 1.00 0.00 C ATOM 858 CG2 VAL A 58 -22.899 13.520 -13.330 1.00 0.00 C ATOM 0 H VAL A 58 -24.665 11.707 -13.336 1.00 0.00 H new ATOM 0 HA VAL A 58 -25.262 13.181 -10.851 1.00 0.00 H new ATOM 0 HB VAL A 58 -23.563 14.854 -11.806 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -21.636 13.600 -10.926 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -23.071 13.420 -9.888 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -22.592 12.100 -10.981 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -21.891 13.933 -13.362 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -22.858 12.447 -13.515 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -23.510 13.997 -14.096 1.00 0.00 H new ATOM 868 N LEU A 59 -26.287 13.612 -13.862 1.00 0.00 N ATOM 869 CA LEU A 59 -27.186 14.368 -14.728 1.00 0.00 C ATOM 870 C LEU A 59 -28.643 14.050 -14.410 1.00 0.00 C ATOM 871 O LEU A 59 -29.006 12.893 -14.203 1.00 0.00 O ATOM 872 CB LEU A 59 -26.892 14.056 -16.196 1.00 0.00 C ATOM 873 CG LEU A 59 -25.568 14.589 -16.744 1.00 0.00 C ATOM 874 CD1 LEU A 59 -25.426 14.252 -18.220 1.00 0.00 C ATOM 875 CD2 LEU A 59 -25.466 16.091 -16.525 1.00 0.00 C ATOM 0 H LEU A 59 -26.015 12.700 -14.230 1.00 0.00 H new ATOM 0 HA LEU A 59 -27.018 15.430 -14.548 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -26.907 12.974 -16.327 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -27.702 14.461 -16.802 1.00 0.00 H new ATOM 0 HG LEU A 59 -24.753 14.107 -16.203 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -24.478 14.640 -18.592 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -25.452 13.170 -18.350 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -26.246 14.704 -18.777 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -24.517 16.453 -16.921 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -26.288 16.590 -17.038 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -25.520 16.308 -15.458 1.00 0.00 H new ATOM 887 N ASN A 60 -29.475 15.086 -14.375 1.00 0.00 N ATOM 888 CA ASN A 60 -30.895 14.917 -14.085 1.00 0.00 C ATOM 889 C ASN A 60 -31.621 14.286 -15.269 1.00 0.00 C ATOM 890 O ASN A 60 -31.104 14.260 -16.385 1.00 0.00 O ATOM 891 CB ASN A 60 -31.530 16.266 -13.742 1.00 0.00 C ATOM 892 CG ASN A 60 -31.293 17.307 -14.818 1.00 0.00 C ATOM 893 OD1 ASN A 60 -31.939 17.291 -15.866 1.00 0.00 O ATOM 894 ND2 ASN A 60 -30.363 18.220 -14.563 1.00 0.00 N ATOM 0 H ASN A 60 -29.191 16.051 -14.544 1.00 0.00 H new ATOM 0 HA ASN A 60 -30.989 14.250 -13.228 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -32.602 16.134 -13.598 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -31.124 16.626 -12.797 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -30.160 18.946 -15.250 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -29.852 18.195 -13.681 1.00 0.00 H new ATOM 901 N GLY A 61 -32.824 13.779 -15.017 1.00 0.00 N ATOM 902 CA GLY A 61 -33.602 13.156 -16.071 1.00 0.00 C ATOM 903 C GLY A 61 -33.732 14.040 -17.296 1.00 0.00 C ATOM 904 O GLY A 61 -33.709 13.553 -18.426 1.00 0.00 O ATOM 0 H GLY A 61 -33.273 13.789 -14.101 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -33.134 12.213 -16.355 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -34.596 12.917 -15.692 1.00 0.00 H new ATOM 908 N ALA A 62 -33.870 15.343 -17.072 1.00 0.00 N ATOM 909 CA ALA A 62 -34.003 16.296 -18.166 1.00 0.00 C ATOM 910 C ALA A 62 -32.776 16.267 -19.072 1.00 0.00 C ATOM 911 O ALA A 62 -32.891 16.069 -20.281 1.00 0.00 O ATOM 912 CB ALA A 62 -34.225 17.699 -17.620 1.00 0.00 C ATOM 0 H ALA A 62 -33.893 15.762 -16.142 1.00 0.00 H new ATOM 0 HA ALA A 62 -34.869 16.008 -18.762 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -34.323 18.401 -18.448 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -35.135 17.716 -17.021 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -33.376 17.986 -16.999 1.00 0.00 H new ATOM 918 N GLN A 63 -31.604 16.468 -18.479 1.00 0.00 N ATOM 919 CA GLN A 63 -30.356 16.466 -19.233 1.00 0.00 C ATOM 920 C GLN A 63 -30.141 15.124 -19.926 1.00 0.00 C ATOM 921 O GLN A 63 -29.855 15.070 -21.123 1.00 0.00 O ATOM 922 CB GLN A 63 -29.176 16.771 -18.309 1.00 0.00 C ATOM 923 CG GLN A 63 -29.238 18.153 -17.680 1.00 0.00 C ATOM 924 CD GLN A 63 -28.251 19.122 -18.300 1.00 0.00 C ATOM 925 OE1 GLN A 63 -27.500 19.798 -17.596 1.00 0.00 O ATOM 926 NE2 GLN A 63 -28.246 19.194 -19.626 1.00 0.00 N ATOM 0 H GLN A 63 -31.492 16.634 -17.479 1.00 0.00 H new ATOM 0 HA GLN A 63 -30.421 17.242 -19.996 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -29.142 16.022 -17.518 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -28.249 16.680 -18.875 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -30.247 18.551 -17.786 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -29.038 18.071 -16.612 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -28.886 18.615 -20.171 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -27.603 19.828 -20.100 1.00 0.00 H new ATOM 935 N LEU A 64 -30.280 14.043 -19.167 1.00 0.00 N ATOM 936 CA LEU A 64 -30.101 12.700 -19.708 1.00 0.00 C ATOM 937 C LEU A 64 -31.034 12.460 -20.891 1.00 0.00 C ATOM 938 O LEU A 64 -30.656 11.823 -21.874 1.00 0.00 O ATOM 939 CB LEU A 64 -30.356 11.653 -18.622 1.00 0.00 C ATOM 940 CG LEU A 64 -30.290 10.192 -19.069 1.00 0.00 C ATOM 941 CD1 LEU A 64 -29.357 9.400 -18.167 1.00 0.00 C ATOM 942 CD2 LEU A 64 -31.680 9.573 -19.078 1.00 0.00 C ATOM 0 H LEU A 64 -30.516 14.070 -18.175 1.00 0.00 H new ATOM 0 HA LEU A 64 -29.072 12.610 -20.057 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -29.628 11.801 -17.824 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -31.341 11.837 -18.193 1.00 0.00 H new ATOM 0 HG LEU A 64 -29.894 10.160 -20.084 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -29.323 8.363 -18.500 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -28.356 9.829 -18.212 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -29.723 9.440 -17.141 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -31.613 8.533 -19.399 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -32.104 9.617 -18.075 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -32.320 10.125 -19.767 1.00 0.00 H new ATOM 954 N PHE A 65 -32.254 12.977 -20.790 1.00 0.00 N ATOM 955 CA PHE A 65 -33.241 12.821 -21.852 1.00 0.00 C ATOM 956 C PHE A 65 -32.801 13.554 -23.116 1.00 0.00 C ATOM 957 O PHE A 65 -33.237 13.227 -24.219 1.00 0.00 O ATOM 958 CB PHE A 65 -34.603 13.346 -21.392 1.00 0.00 C ATOM 959 CG PHE A 65 -35.423 12.323 -20.659 1.00 0.00 C ATOM 960 CD1 PHE A 65 -34.810 11.334 -19.906 1.00 0.00 C ATOM 961 CD2 PHE A 65 -36.807 12.350 -20.722 1.00 0.00 C ATOM 962 CE1 PHE A 65 -35.561 10.392 -19.229 1.00 0.00 C ATOM 963 CE2 PHE A 65 -37.563 11.411 -20.047 1.00 0.00 C ATOM 964 CZ PHE A 65 -36.940 10.430 -19.301 1.00 0.00 C ATOM 0 H PHE A 65 -32.583 13.508 -19.983 1.00 0.00 H new ATOM 0 HA PHE A 65 -33.327 11.759 -22.081 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -34.451 14.210 -20.745 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -35.162 13.693 -22.261 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -33.732 11.299 -19.848 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -37.300 13.114 -21.305 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -35.071 9.627 -18.645 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -38.641 11.444 -20.103 1.00 0.00 H new ATOM 0 HZ PHE A 65 -37.530 9.694 -18.775 1.00 0.00 H new ATOM 974 N SER A 66 -31.935 14.548 -22.945 1.00 0.00 N ATOM 975 CA SER A 66 -31.438 15.330 -24.071 1.00 0.00 C ATOM 976 C SER A 66 -30.327 14.585 -24.803 1.00 0.00 C ATOM 977 O SER A 66 -30.130 14.766 -26.005 1.00 0.00 O ATOM 978 CB SER A 66 -30.924 16.688 -23.587 1.00 0.00 C ATOM 979 OG SER A 66 -30.556 17.512 -24.680 1.00 0.00 O ATOM 0 H SER A 66 -31.563 14.831 -22.038 1.00 0.00 H new ATOM 0 HA SER A 66 -32.264 15.487 -24.765 1.00 0.00 H new ATOM 0 HB2 SER A 66 -31.695 17.183 -22.997 1.00 0.00 H new ATOM 0 HB3 SER A 66 -30.065 16.543 -22.931 1.00 0.00 H new ATOM 0 HG SER A 66 -30.232 18.374 -24.345 1.00 0.00 H new ATOM 985 N LEU A 67 -29.604 13.745 -24.070 1.00 0.00 N ATOM 986 CA LEU A 67 -28.511 12.971 -24.648 1.00 0.00 C ATOM 987 C LEU A 67 -29.046 11.882 -25.573 1.00 0.00 C ATOM 988 O LEU A 67 -29.837 11.035 -25.158 1.00 0.00 O ATOM 989 CB LEU A 67 -27.662 12.344 -23.541 1.00 0.00 C ATOM 990 CG LEU A 67 -27.120 13.307 -22.484 1.00 0.00 C ATOM 991 CD1 LEU A 67 -26.308 12.555 -21.442 1.00 0.00 C ATOM 992 CD2 LEU A 67 -26.278 14.395 -23.136 1.00 0.00 C ATOM 0 H LEU A 67 -29.755 13.583 -23.074 1.00 0.00 H new ATOM 0 HA LEU A 67 -27.889 13.648 -25.234 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -28.260 11.584 -23.039 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -26.818 11.832 -24.004 1.00 0.00 H new ATOM 0 HG LEU A 67 -27.965 13.780 -21.984 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -25.931 13.257 -20.698 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -26.940 11.814 -20.953 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -25.470 12.054 -21.926 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -25.900 15.071 -22.369 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -25.440 13.939 -23.663 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -26.890 14.954 -23.843 1.00 0.00 H new ATOM 1004 N ASN A 68 -28.606 11.909 -26.827 1.00 0.00 N ATOM 1005 CA ASN A 68 -29.040 10.923 -27.810 1.00 0.00 C ATOM 1006 C ASN A 68 -28.101 9.720 -27.824 1.00 0.00 C ATOM 1007 O ASN A 68 -27.223 9.593 -26.970 1.00 0.00 O ATOM 1008 CB ASN A 68 -29.100 11.553 -29.203 1.00 0.00 C ATOM 1009 CG ASN A 68 -29.407 13.037 -29.153 1.00 0.00 C ATOM 1010 OD1 ASN A 68 -30.565 13.440 -29.044 1.00 0.00 O ATOM 1011 ND2 ASN A 68 -28.367 13.859 -29.232 1.00 0.00 N ATOM 0 H ASN A 68 -27.950 12.602 -27.186 1.00 0.00 H new ATOM 0 HA ASN A 68 -30.036 10.581 -27.530 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -28.148 11.399 -29.710 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -29.862 11.047 -29.795 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -28.511 14.868 -29.203 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -27.424 13.481 -29.322 1.00 0.00 H new ATOM 1018 N LYS A 69 -28.292 8.839 -28.800 1.00 0.00 N ATOM 1019 CA LYS A 69 -27.463 7.647 -28.928 1.00 0.00 C ATOM 1020 C LYS A 69 -25.993 8.021 -29.090 1.00 0.00 C ATOM 1021 O LYS A 69 -25.103 7.216 -28.816 1.00 0.00 O ATOM 1022 CB LYS A 69 -27.921 6.808 -30.124 1.00 0.00 C ATOM 1023 CG LYS A 69 -27.428 5.371 -30.083 1.00 0.00 C ATOM 1024 CD LYS A 69 -27.648 4.669 -31.412 1.00 0.00 C ATOM 1025 CE LYS A 69 -26.815 3.400 -31.516 1.00 0.00 C ATOM 1026 NZ LYS A 69 -27.652 2.175 -31.388 1.00 0.00 N ATOM 0 H LYS A 69 -29.014 8.928 -29.514 1.00 0.00 H new ATOM 0 HA LYS A 69 -27.572 7.060 -28.016 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -29.010 6.809 -30.162 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -27.570 7.278 -31.043 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -26.367 5.356 -29.834 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -27.949 4.829 -29.293 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -28.704 4.423 -31.524 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -27.389 5.343 -32.228 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -26.294 3.385 -32.473 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -26.052 3.402 -30.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -27.048 1.332 -31.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -28.130 2.176 -30.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -28.364 2.160 -32.146 1.00 0.00 H new ATOM 1040 N ASP A 70 -25.746 9.248 -29.537 1.00 0.00 N ATOM 1041 CA ASP A 70 -24.383 9.730 -29.732 1.00 0.00 C ATOM 1042 C ASP A 70 -23.810 10.282 -28.431 1.00 0.00 C ATOM 1043 O ASP A 70 -22.807 9.782 -27.923 1.00 0.00 O ATOM 1044 CB ASP A 70 -24.352 10.809 -30.816 1.00 0.00 C ATOM 1045 CG ASP A 70 -23.323 10.520 -31.891 1.00 0.00 C ATOM 1046 OD1 ASP A 70 -22.217 10.055 -31.545 1.00 0.00 O ATOM 1047 OD2 ASP A 70 -23.624 10.758 -33.079 1.00 0.00 O ATOM 0 H ASP A 70 -26.471 9.926 -29.771 1.00 0.00 H new ATOM 0 HA ASP A 70 -23.768 8.888 -30.050 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -25.338 10.889 -31.273 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -24.134 11.774 -30.358 1.00 0.00 H new ATOM 1052 N GLU A 71 -24.453 11.316 -27.898 1.00 0.00 N ATOM 1053 CA GLU A 71 -24.005 11.937 -26.657 1.00 0.00 C ATOM 1054 C GLU A 71 -23.818 10.890 -25.562 1.00 0.00 C ATOM 1055 O GLU A 71 -22.846 10.933 -24.806 1.00 0.00 O ATOM 1056 CB GLU A 71 -25.010 12.996 -26.199 1.00 0.00 C ATOM 1057 CG GLU A 71 -25.068 14.213 -27.108 1.00 0.00 C ATOM 1058 CD GLU A 71 -24.959 15.518 -26.343 1.00 0.00 C ATOM 1059 OE1 GLU A 71 -23.849 15.839 -25.871 1.00 0.00 O ATOM 1060 OE2 GLU A 71 -25.986 16.218 -26.217 1.00 0.00 O ATOM 0 H GLU A 71 -25.286 11.741 -28.306 1.00 0.00 H new ATOM 0 HA GLU A 71 -23.044 12.416 -26.846 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -26.001 12.545 -26.145 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -24.751 13.318 -25.190 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -24.261 14.155 -27.838 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -26.004 14.201 -27.666 1.00 0.00 H new ATOM 1067 N LEU A 72 -24.755 9.952 -25.482 1.00 0.00 N ATOM 1068 CA LEU A 72 -24.696 8.894 -24.480 1.00 0.00 C ATOM 1069 C LEU A 72 -23.581 7.903 -24.800 1.00 0.00 C ATOM 1070 O LEU A 72 -23.022 7.272 -23.903 1.00 0.00 O ATOM 1071 CB LEU A 72 -26.037 8.163 -24.401 1.00 0.00 C ATOM 1072 CG LEU A 72 -27.097 8.800 -23.502 1.00 0.00 C ATOM 1073 CD1 LEU A 72 -28.483 8.619 -24.101 1.00 0.00 C ATOM 1074 CD2 LEU A 72 -27.037 8.206 -22.102 1.00 0.00 C ATOM 0 H LEU A 72 -25.565 9.903 -26.100 1.00 0.00 H new ATOM 0 HA LEU A 72 -24.483 9.353 -23.515 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -26.444 8.083 -25.409 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -25.854 7.147 -24.050 1.00 0.00 H new ATOM 0 HG LEU A 72 -26.891 9.868 -23.430 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -29.225 9.079 -23.448 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -28.520 9.093 -25.082 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -28.699 7.556 -24.203 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -27.799 8.671 -21.476 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -27.217 7.132 -22.154 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -26.052 8.388 -21.671 1.00 0.00 H new ATOM 1086 N ARG A 73 -23.262 7.774 -26.084 1.00 0.00 N ATOM 1087 CA ARG A 73 -22.214 6.860 -26.522 1.00 0.00 C ATOM 1088 C ARG A 73 -20.835 7.490 -26.345 1.00 0.00 C ATOM 1089 O ARG A 73 -19.828 6.789 -26.241 1.00 0.00 O ATOM 1090 CB ARG A 73 -22.425 6.473 -27.987 1.00 0.00 C ATOM 1091 CG ARG A 73 -21.270 5.683 -28.581 1.00 0.00 C ATOM 1092 CD ARG A 73 -21.720 4.844 -29.766 1.00 0.00 C ATOM 1093 NE ARG A 73 -20.764 3.786 -30.082 1.00 0.00 N ATOM 1094 CZ ARG A 73 -19.641 3.988 -30.762 1.00 0.00 C ATOM 1095 NH1 ARG A 73 -19.335 5.203 -31.195 1.00 0.00 N ATOM 1096 NH2 ARG A 73 -18.822 2.974 -31.009 1.00 0.00 N ATOM 0 H ARG A 73 -23.714 8.291 -26.838 1.00 0.00 H new ATOM 0 HA ARG A 73 -22.267 5.963 -25.905 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -23.338 5.884 -28.070 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -22.575 7.378 -28.575 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -20.483 6.368 -28.897 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -20.840 5.035 -27.817 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -22.692 4.401 -29.548 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -21.850 5.487 -30.637 1.00 0.00 H new ATOM 0 HE ARG A 73 -20.970 2.839 -29.763 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -19.962 5.985 -31.006 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -18.472 5.356 -31.717 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -19.054 2.038 -30.677 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -17.960 3.130 -31.531 1.00 0.00 H new ATOM 1110 N THR A 74 -20.797 8.819 -26.313 1.00 0.00 N ATOM 1111 CA THR A 74 -19.543 9.543 -26.151 1.00 0.00 C ATOM 1112 C THR A 74 -19.129 9.606 -24.686 1.00 0.00 C ATOM 1113 O THR A 74 -17.942 9.675 -24.368 1.00 0.00 O ATOM 1114 CB THR A 74 -19.647 10.977 -26.705 1.00 0.00 C ATOM 1115 OG1 THR A 74 -21.023 11.343 -26.861 1.00 0.00 O ATOM 1116 CG2 THR A 74 -18.931 11.094 -28.042 1.00 0.00 C ATOM 0 H THR A 74 -21.620 9.415 -26.397 1.00 0.00 H new ATOM 0 HA THR A 74 -18.788 8.996 -26.716 1.00 0.00 H new ATOM 0 HB THR A 74 -19.170 11.653 -25.995 1.00 0.00 H new ATOM 0 HG1 THR A 74 -21.424 10.809 -27.578 1.00 0.00 H new ATOM 0 HG21 THR A 74 -19.018 12.115 -28.413 1.00 0.00 H new ATOM 0 HG22 THR A 74 -17.878 10.843 -27.914 1.00 0.00 H new ATOM 0 HG23 THR A 74 -19.383 10.408 -28.758 1.00 0.00 H new ATOM 1124 N VAL A 75 -20.116 9.580 -23.795 1.00 0.00 N ATOM 1125 CA VAL A 75 -19.854 9.631 -22.362 1.00 0.00 C ATOM 1126 C VAL A 75 -19.472 8.257 -21.823 1.00 0.00 C ATOM 1127 O VAL A 75 -18.662 8.143 -20.902 1.00 0.00 O ATOM 1128 CB VAL A 75 -21.078 10.153 -21.586 1.00 0.00 C ATOM 1129 CG1 VAL A 75 -22.287 9.265 -21.837 1.00 0.00 C ATOM 1130 CG2 VAL A 75 -20.769 10.238 -20.099 1.00 0.00 C ATOM 0 H VAL A 75 -21.104 9.524 -24.041 1.00 0.00 H new ATOM 0 HA VAL A 75 -19.021 10.319 -22.217 1.00 0.00 H new ATOM 0 HB VAL A 75 -21.313 11.156 -21.943 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -23.142 9.649 -21.281 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -22.520 9.259 -22.902 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -22.067 8.249 -21.508 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -21.645 10.609 -19.566 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -20.508 9.248 -19.724 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -19.932 10.918 -19.940 1.00 0.00 H new ATOM 1140 N CYS A 76 -20.059 7.216 -22.403 1.00 0.00 N ATOM 1141 CA CYS A 76 -19.781 5.848 -21.981 1.00 0.00 C ATOM 1142 C CYS A 76 -19.994 4.870 -23.132 1.00 0.00 C ATOM 1143 O CYS A 76 -20.689 5.162 -24.106 1.00 0.00 O ATOM 1144 CB CYS A 76 -20.672 5.466 -20.799 1.00 0.00 C ATOM 1145 SG CYS A 76 -20.013 5.958 -19.189 1.00 0.00 S ATOM 0 H CYS A 76 -20.730 7.293 -23.167 1.00 0.00 H new ATOM 0 HA CYS A 76 -18.737 5.794 -21.672 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -21.652 5.924 -20.934 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -20.821 4.386 -20.804 1.00 0.00 H new ATOM 0 HG CYS A 76 -19.231 6.986 -19.336 1.00 0.00 H new ATOM 1151 N PRO A 77 -19.382 3.682 -23.020 1.00 0.00 N ATOM 1152 CA PRO A 77 -19.490 2.637 -24.043 1.00 0.00 C ATOM 1153 C PRO A 77 -20.884 2.024 -24.101 1.00 0.00 C ATOM 1154 O PRO A 77 -21.286 1.469 -25.123 1.00 0.00 O ATOM 1155 CB PRO A 77 -18.465 1.593 -23.592 1.00 0.00 C ATOM 1156 CG PRO A 77 -18.340 1.795 -22.122 1.00 0.00 C ATOM 1157 CD PRO A 77 -18.539 3.267 -21.887 1.00 0.00 C ATOM 0 HA PRO A 77 -19.310 3.027 -25.045 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -18.800 0.582 -23.826 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -17.508 1.735 -24.094 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -19.085 1.210 -21.583 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -17.362 1.472 -21.766 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -19.027 3.459 -20.931 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -17.590 3.804 -21.874 1.00 0.00 H new ATOM 1165 N GLU A 78 -21.618 2.128 -22.997 1.00 0.00 N ATOM 1166 CA GLU A 78 -22.968 1.582 -22.923 1.00 0.00 C ATOM 1167 C GLU A 78 -24.006 2.653 -23.246 1.00 0.00 C ATOM 1168 O GLU A 78 -25.147 2.585 -22.791 1.00 0.00 O ATOM 1169 CB GLU A 78 -23.233 1.003 -21.532 1.00 0.00 C ATOM 1170 CG GLU A 78 -22.091 0.155 -20.998 1.00 0.00 C ATOM 1171 CD GLU A 78 -21.504 -0.763 -22.052 1.00 0.00 C ATOM 1172 OE1 GLU A 78 -22.284 -1.330 -22.845 1.00 0.00 O ATOM 1173 OE2 GLU A 78 -20.265 -0.915 -22.084 1.00 0.00 O ATOM 0 H GLU A 78 -21.300 2.585 -22.142 1.00 0.00 H new ATOM 0 HA GLU A 78 -23.051 0.785 -23.662 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -23.423 1.821 -20.837 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -24.139 0.398 -21.566 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -21.308 0.808 -20.613 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -22.448 -0.443 -20.159 1.00 0.00 H new ATOM 1180 N GLY A 79 -23.601 3.643 -24.036 1.00 0.00 N ATOM 1181 CA GLY A 79 -24.506 4.715 -24.406 1.00 0.00 C ATOM 1182 C GLY A 79 -25.665 4.228 -25.253 1.00 0.00 C ATOM 1183 O GLY A 79 -26.827 4.425 -24.899 1.00 0.00 O ATOM 0 H GLY A 79 -22.662 3.721 -24.426 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -24.893 5.188 -23.503 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -23.955 5.479 -24.954 1.00 0.00 H new ATOM 1187 N ALA A 80 -25.349 3.593 -26.377 1.00 0.00 N ATOM 1188 CA ALA A 80 -26.373 3.077 -27.276 1.00 0.00 C ATOM 1189 C ALA A 80 -27.383 2.217 -26.523 1.00 0.00 C ATOM 1190 O ALA A 80 -28.551 2.138 -26.904 1.00 0.00 O ATOM 1191 CB ALA A 80 -25.733 2.278 -28.402 1.00 0.00 C ATOM 0 H ALA A 80 -24.392 3.424 -26.686 1.00 0.00 H new ATOM 0 HA ALA A 80 -26.906 3.926 -27.704 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -26.510 1.899 -29.066 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -25.056 2.921 -28.965 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -25.174 1.442 -27.982 1.00 0.00 H new ATOM 1197 N ARG A 81 -26.925 1.574 -25.454 1.00 0.00 N ATOM 1198 CA ARG A 81 -27.788 0.719 -24.649 1.00 0.00 C ATOM 1199 C ARG A 81 -28.701 1.554 -23.756 1.00 0.00 C ATOM 1200 O ARG A 81 -29.899 1.290 -23.655 1.00 0.00 O ATOM 1201 CB ARG A 81 -26.946 -0.229 -23.793 1.00 0.00 C ATOM 1202 CG ARG A 81 -25.803 -0.883 -24.551 1.00 0.00 C ATOM 1203 CD ARG A 81 -25.675 -2.358 -24.204 1.00 0.00 C ATOM 1204 NE ARG A 81 -25.731 -2.588 -22.763 1.00 0.00 N ATOM 1205 CZ ARG A 81 -25.882 -3.789 -22.216 1.00 0.00 C ATOM 1206 NH1 ARG A 81 -25.991 -4.863 -22.986 1.00 0.00 N ATOM 1207 NH2 ARG A 81 -25.924 -3.917 -20.896 1.00 0.00 N ATOM 0 H ARG A 81 -25.961 1.629 -25.125 1.00 0.00 H new ATOM 0 HA ARG A 81 -28.409 0.132 -25.325 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -26.539 0.324 -22.946 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -27.592 -1.007 -23.385 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -25.966 -0.773 -25.623 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -24.870 -0.371 -24.317 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -26.475 -2.916 -24.691 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -24.733 -2.742 -24.596 1.00 0.00 H new ATOM 0 HE ARG A 81 -25.650 -1.782 -22.143 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -25.959 -4.768 -24.001 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -26.107 -5.784 -22.563 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -25.840 -3.093 -20.301 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -26.040 -4.839 -20.477 1.00 0.00 H new ATOM 1221 N VAL A 82 -28.125 2.562 -23.108 1.00 0.00 N ATOM 1222 CA VAL A 82 -28.886 3.436 -22.223 1.00 0.00 C ATOM 1223 C VAL A 82 -29.965 4.191 -22.991 1.00 0.00 C ATOM 1224 O VAL A 82 -31.121 4.242 -22.570 1.00 0.00 O ATOM 1225 CB VAL A 82 -27.971 4.451 -21.514 1.00 0.00 C ATOM 1226 CG1 VAL A 82 -28.779 5.334 -20.575 1.00 0.00 C ATOM 1227 CG2 VAL A 82 -26.861 3.733 -20.761 1.00 0.00 C ATOM 0 H VAL A 82 -27.134 2.793 -23.179 1.00 0.00 H new ATOM 0 HA VAL A 82 -29.356 2.797 -21.475 1.00 0.00 H new ATOM 0 HB VAL A 82 -27.512 5.089 -22.269 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -28.115 6.045 -20.083 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -29.533 5.876 -21.145 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -29.268 4.714 -19.823 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -26.224 4.466 -20.266 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -27.298 3.069 -20.015 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -26.265 3.149 -21.462 1.00 0.00 H new ATOM 1237 N TYR A 83 -29.580 4.774 -24.121 1.00 0.00 N ATOM 1238 CA TYR A 83 -30.514 5.529 -24.948 1.00 0.00 C ATOM 1239 C TYR A 83 -31.736 4.685 -25.298 1.00 0.00 C ATOM 1240 O TYR A 83 -32.869 5.166 -25.257 1.00 0.00 O ATOM 1241 CB TYR A 83 -29.825 6.004 -26.228 1.00 0.00 C ATOM 1242 CG TYR A 83 -30.752 6.721 -27.184 1.00 0.00 C ATOM 1243 CD1 TYR A 83 -31.135 8.037 -26.955 1.00 0.00 C ATOM 1244 CD2 TYR A 83 -31.244 6.083 -28.316 1.00 0.00 C ATOM 1245 CE1 TYR A 83 -31.982 8.696 -27.825 1.00 0.00 C ATOM 1246 CE2 TYR A 83 -32.090 6.734 -29.192 1.00 0.00 C ATOM 1247 CZ TYR A 83 -32.456 8.040 -28.943 1.00 0.00 C ATOM 1248 OH TYR A 83 -33.300 8.693 -29.812 1.00 0.00 O ATOM 0 H TYR A 83 -28.628 4.738 -24.485 1.00 0.00 H new ATOM 0 HA TYR A 83 -30.845 6.397 -24.378 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -29.004 6.670 -25.963 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -29.387 5.144 -26.736 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -30.764 8.553 -26.082 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -30.960 5.060 -28.514 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -32.271 9.718 -27.631 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -32.463 6.223 -30.067 1.00 0.00 H new ATOM 0 HH TYR A 83 -33.541 8.092 -30.548 1.00 0.00 H new ATOM 1258 N SER A 84 -31.498 3.423 -25.641 1.00 0.00 N ATOM 1259 CA SER A 84 -32.577 2.512 -26.001 1.00 0.00 C ATOM 1260 C SER A 84 -33.530 2.308 -24.828 1.00 0.00 C ATOM 1261 O SER A 84 -34.679 1.906 -25.010 1.00 0.00 O ATOM 1262 CB SER A 84 -32.007 1.165 -26.451 1.00 0.00 C ATOM 1263 OG SER A 84 -33.018 0.345 -27.010 1.00 0.00 O ATOM 0 H SER A 84 -30.567 3.008 -25.677 1.00 0.00 H new ATOM 0 HA SER A 84 -33.134 2.956 -26.826 1.00 0.00 H new ATOM 0 HB2 SER A 84 -31.218 1.327 -27.186 1.00 0.00 H new ATOM 0 HB3 SER A 84 -31.551 0.657 -25.601 1.00 0.00 H new ATOM 0 HG SER A 84 -32.628 -0.509 -27.291 1.00 0.00 H new ATOM 1269 N GLN A 85 -33.044 2.588 -23.623 1.00 0.00 N ATOM 1270 CA GLN A 85 -33.851 2.435 -22.419 1.00 0.00 C ATOM 1271 C GLN A 85 -34.539 3.746 -22.053 1.00 0.00 C ATOM 1272 O GLN A 85 -35.538 3.755 -21.334 1.00 0.00 O ATOM 1273 CB GLN A 85 -32.982 1.959 -21.253 1.00 0.00 C ATOM 1274 CG GLN A 85 -32.741 0.458 -21.247 1.00 0.00 C ATOM 1275 CD GLN A 85 -34.030 -0.340 -21.275 1.00 0.00 C ATOM 1276 OE1 GLN A 85 -34.679 -0.528 -20.246 1.00 0.00 O ATOM 1277 NE2 GLN A 85 -34.407 -0.815 -22.456 1.00 0.00 N ATOM 0 H GLN A 85 -32.095 2.922 -23.455 1.00 0.00 H new ATOM 0 HA GLN A 85 -34.618 1.687 -22.620 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -32.021 2.473 -21.293 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -33.458 2.246 -20.315 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -32.132 0.188 -22.110 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -32.171 0.189 -20.358 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -33.838 -0.635 -23.283 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -35.265 -1.360 -22.536 1.00 0.00 H new ATOM 1286 N ILE A 86 -33.997 4.851 -22.553 1.00 0.00 N ATOM 1287 CA ILE A 86 -34.559 6.168 -22.279 1.00 0.00 C ATOM 1288 C ILE A 86 -35.650 6.520 -23.285 1.00 0.00 C ATOM 1289 O ILE A 86 -36.623 7.197 -22.951 1.00 0.00 O ATOM 1290 CB ILE A 86 -33.474 7.261 -22.312 1.00 0.00 C ATOM 1291 CG1 ILE A 86 -32.374 6.950 -21.295 1.00 0.00 C ATOM 1292 CG2 ILE A 86 -34.088 8.625 -22.035 1.00 0.00 C ATOM 1293 CD1 ILE A 86 -31.074 7.671 -21.571 1.00 0.00 C ATOM 0 H ILE A 86 -33.170 4.861 -23.150 1.00 0.00 H new ATOM 0 HA ILE A 86 -34.990 6.125 -21.279 1.00 0.00 H new ATOM 0 HB ILE A 86 -33.028 7.280 -23.307 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -32.725 7.219 -20.299 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -32.190 5.876 -21.288 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -33.309 9.387 -22.062 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -34.839 8.847 -22.793 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -34.557 8.620 -21.051 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -30.341 7.403 -20.810 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -30.700 7.383 -22.553 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -31.243 8.748 -21.548 1.00 0.00 H new ATOM 1305 N THR A 87 -35.483 6.054 -24.519 1.00 0.00 N ATOM 1306 CA THR A 87 -36.453 6.318 -25.574 1.00 0.00 C ATOM 1307 C THR A 87 -37.856 5.901 -25.147 1.00 0.00 C ATOM 1308 O THR A 87 -38.838 6.568 -25.472 1.00 0.00 O ATOM 1309 CB THR A 87 -36.083 5.581 -26.875 1.00 0.00 C ATOM 1310 OG1 THR A 87 -37.135 5.726 -27.836 1.00 0.00 O ATOM 1311 CG2 THR A 87 -35.834 4.104 -26.607 1.00 0.00 C ATOM 0 H THR A 87 -34.684 5.491 -24.812 1.00 0.00 H new ATOM 0 HA THR A 87 -36.436 7.392 -25.758 1.00 0.00 H new ATOM 0 HB THR A 87 -35.168 6.022 -27.270 1.00 0.00 H new ATOM 0 HG1 THR A 87 -36.892 5.256 -28.661 1.00 0.00 H new ATOM 0 HG21 THR A 87 -35.574 3.604 -27.540 1.00 0.00 H new ATOM 0 HG22 THR A 87 -35.014 3.996 -25.897 1.00 0.00 H new ATOM 0 HG23 THR A 87 -36.735 3.653 -26.192 1.00 0.00 H new ATOM 1319 N VAL A 88 -37.943 4.793 -24.418 1.00 0.00 N ATOM 1320 CA VAL A 88 -39.226 4.288 -23.945 1.00 0.00 C ATOM 1321 C VAL A 88 -39.824 5.210 -22.888 1.00 0.00 C ATOM 1322 O VAL A 88 -41.039 5.239 -22.693 1.00 0.00 O ATOM 1323 CB VAL A 88 -39.089 2.871 -23.356 1.00 0.00 C ATOM 1324 CG1 VAL A 88 -38.185 2.886 -22.133 1.00 0.00 C ATOM 1325 CG2 VAL A 88 -40.458 2.304 -23.011 1.00 0.00 C ATOM 0 H VAL A 88 -37.140 4.228 -24.142 1.00 0.00 H new ATOM 0 HA VAL A 88 -39.890 4.252 -24.809 1.00 0.00 H new ATOM 0 HB VAL A 88 -38.632 2.226 -24.107 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -38.100 1.876 -21.731 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -37.197 3.248 -22.416 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -38.609 3.544 -21.375 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -40.343 1.303 -22.596 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -40.944 2.947 -22.277 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -41.069 2.255 -23.912 1.00 0.00 H new ATOM 1335 N GLN A 89 -38.963 5.962 -22.211 1.00 0.00 N ATOM 1336 CA GLN A 89 -39.407 6.885 -21.173 1.00 0.00 C ATOM 1337 C GLN A 89 -39.973 8.161 -21.787 1.00 0.00 C ATOM 1338 O GLN A 89 -41.096 8.564 -21.482 1.00 0.00 O ATOM 1339 CB GLN A 89 -38.248 7.227 -20.235 1.00 0.00 C ATOM 1340 CG GLN A 89 -37.548 6.005 -19.663 1.00 0.00 C ATOM 1341 CD GLN A 89 -38.513 5.021 -19.033 1.00 0.00 C ATOM 1342 OE1 GLN A 89 -38.437 3.816 -19.278 1.00 0.00 O ATOM 1343 NE2 GLN A 89 -39.428 5.529 -18.216 1.00 0.00 N ATOM 0 H GLN A 89 -37.954 5.951 -22.362 1.00 0.00 H new ATOM 0 HA GLN A 89 -40.196 6.397 -20.601 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -37.520 7.832 -20.776 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -38.624 7.838 -19.414 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -36.992 5.505 -20.456 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -36.821 6.324 -18.916 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -39.454 6.534 -18.042 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -40.104 4.915 -17.763 1.00 0.00 H new ATOM 1352 N LYS A 90 -39.190 8.794 -22.653 1.00 0.00 N ATOM 1353 CA LYS A 90 -39.612 10.025 -23.311 1.00 0.00 C ATOM 1354 C LYS A 90 -40.927 9.819 -24.056 1.00 0.00 C ATOM 1355 O LYS A 90 -41.817 10.668 -24.010 1.00 0.00 O ATOM 1356 CB LYS A 90 -38.532 10.505 -24.283 1.00 0.00 C ATOM 1357 CG LYS A 90 -37.295 11.054 -23.595 1.00 0.00 C ATOM 1358 CD LYS A 90 -36.045 10.823 -24.428 1.00 0.00 C ATOM 1359 CE LYS A 90 -35.982 11.772 -25.615 1.00 0.00 C ATOM 1360 NZ LYS A 90 -36.827 11.301 -26.747 1.00 0.00 N ATOM 0 H LYS A 90 -38.258 8.474 -22.916 1.00 0.00 H new ATOM 0 HA LYS A 90 -39.764 10.784 -22.544 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -38.241 9.676 -24.928 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -38.952 11.277 -24.927 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -37.421 12.122 -23.415 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -37.178 10.578 -22.621 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -35.161 10.959 -23.805 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -36.029 9.793 -24.783 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -36.311 12.764 -25.305 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -34.949 11.868 -25.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -36.394 11.590 -27.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -36.902 10.264 -26.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -37.776 11.719 -26.669 1.00 0.00 H new