USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 497 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 34 THR OG1 : rot 136:sc= -2.48! USER MOD Set 1.2: A 80 HIS : no HE2:sc= -13.5! C(o=-16!,f=-24!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -127:sc= -0.0735 (180deg=-0.977) USER MOD Single : A 38 ASN : amide:sc= -1.3 K(o=-1.3,f=-0.00087) USER MOD Single : A 39 MET CE :methyl 172:sc= 0 (180deg=-0.0839) USER MOD Single : A 44 LYS NZ :NH3+ -123:sc= -0.0436 (180deg=-0.336) USER MOD Single : A 47 ASN : amide:sc= -0.0769 X(o=-0.077,f=-0.076) USER MOD Single : A 51 THR OG1 : rot -166:sc= -1.13 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.471 X(o=-0.47,f=-0.034) USER MOD Single : A 65 THR OG1 : rot 125:sc= 0.0615 USER MOD Single : A 66 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.094) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -3.04 K(o=-3,f=-4.6!) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.552 K(o=-0.55,f=-0.032) USER MOD Single : A 79 SER OG : rot 35:sc= -3.2! USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.082) USER MOD ----------------------------------------------------------------- ATOM 353 N LEU A 21 -2.909 -0.064 -5.584 1.00 0.00 N ATOM 354 CA LEU A 21 -2.213 0.447 -4.368 1.00 0.00 C ATOM 355 C LEU A 21 -1.245 1.569 -4.752 1.00 0.00 C ATOM 356 O LEU A 21 -0.360 1.388 -5.564 1.00 0.00 O ATOM 357 CB LEU A 21 -1.449 -0.755 -3.815 1.00 0.00 C ATOM 358 CG LEU A 21 -1.276 -0.600 -2.304 1.00 0.00 C ATOM 359 CD1 LEU A 21 -1.807 -1.848 -1.597 1.00 0.00 C ATOM 360 CD2 LEU A 21 0.209 -0.423 -1.978 1.00 0.00 C ATOM 0 HA LEU A 21 -2.906 0.860 -3.635 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.989 -1.676 -4.037 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.474 -0.833 -4.297 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.832 0.274 -1.963 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.683 -1.736 -0.520 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.864 -1.976 -1.829 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.253 -2.723 -1.937 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.334 -0.312 -0.901 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.763 -1.297 -2.320 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.588 0.467 -2.481 1.00 0.00 H new ATOM 372 N ILE A 22 -1.407 2.728 -4.175 1.00 0.00 N ATOM 373 CA ILE A 22 -0.495 3.860 -4.510 1.00 0.00 C ATOM 374 C ILE A 22 0.321 4.265 -3.280 1.00 0.00 C ATOM 375 O ILE A 22 -0.221 4.588 -2.242 1.00 0.00 O ATOM 376 CB ILE A 22 -1.421 4.998 -4.938 1.00 0.00 C ATOM 377 CG1 ILE A 22 -1.995 4.692 -6.324 1.00 0.00 C ATOM 378 CG2 ILE A 22 -0.630 6.307 -4.993 1.00 0.00 C ATOM 379 CD1 ILE A 22 -3.016 5.767 -6.703 1.00 0.00 C ATOM 0 H ILE A 22 -2.130 2.941 -3.487 1.00 0.00 H new ATOM 0 HA ILE A 22 0.219 3.599 -5.291 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.234 5.095 -4.219 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.194 4.660 -7.062 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.468 3.710 -6.325 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.290 7.119 -5.298 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.219 6.525 -4.008 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.183 6.211 -5.712 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.425 5.549 -7.690 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.823 5.777 -5.970 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.529 6.742 -6.719 1.00 0.00 H new ATOM 391 N ALA A 23 1.621 4.250 -3.390 1.00 0.00 N ATOM 392 CA ALA A 23 2.472 4.636 -2.227 1.00 0.00 C ATOM 393 C ALA A 23 3.117 6.001 -2.475 1.00 0.00 C ATOM 394 O ALA A 23 3.668 6.257 -3.528 1.00 0.00 O ATOM 395 CB ALA A 23 3.538 3.544 -2.138 1.00 0.00 C ATOM 0 H ALA A 23 2.131 3.988 -4.233 1.00 0.00 H new ATOM 0 HA ALA A 23 1.899 4.721 -1.304 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.207 3.756 -1.304 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.057 2.578 -1.982 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.111 3.518 -3.065 1.00 0.00 H new ATOM 401 N LYS A 24 3.055 6.881 -1.512 1.00 0.00 N ATOM 402 CA LYS A 24 3.667 8.229 -1.693 1.00 0.00 C ATOM 403 C LYS A 24 4.814 8.426 -0.700 1.00 0.00 C ATOM 404 O LYS A 24 4.706 8.091 0.463 1.00 0.00 O ATOM 405 CB LYS A 24 2.536 9.219 -1.407 1.00 0.00 C ATOM 406 CG LYS A 24 2.856 10.565 -2.059 1.00 0.00 C ATOM 407 CD LYS A 24 2.508 10.508 -3.548 1.00 0.00 C ATOM 408 CE LYS A 24 3.795 10.473 -4.373 1.00 0.00 C ATOM 409 NZ LYS A 24 3.355 10.682 -5.781 1.00 0.00 N ATOM 0 H LYS A 24 2.608 6.725 -0.609 1.00 0.00 H new ATOM 0 HA LYS A 24 4.084 8.362 -2.691 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.593 8.831 -1.793 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.412 9.345 -0.331 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.290 11.360 -1.573 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.912 10.801 -1.931 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.905 9.624 -3.758 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.909 11.375 -3.826 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.488 11.252 -4.056 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.312 9.520 -4.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.184 10.671 -6.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.701 9.922 -6.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.872 11.600 -5.861 1.00 0.00 H new ATOM 423 N VAL A 25 5.915 8.963 -1.149 1.00 0.00 N ATOM 424 CA VAL A 25 7.068 9.178 -0.229 1.00 0.00 C ATOM 425 C VAL A 25 7.152 10.650 0.184 1.00 0.00 C ATOM 426 O VAL A 25 7.040 11.541 -0.632 1.00 0.00 O ATOM 427 CB VAL A 25 8.301 8.780 -1.041 1.00 0.00 C ATOM 428 CG1 VAL A 25 9.559 8.994 -0.198 1.00 0.00 C ATOM 429 CG2 VAL A 25 8.198 7.305 -1.434 1.00 0.00 C ATOM 0 H VAL A 25 6.066 9.262 -2.112 1.00 0.00 H new ATOM 0 HA VAL A 25 6.976 8.597 0.688 1.00 0.00 H new ATOM 0 HB VAL A 25 8.357 9.394 -1.940 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.438 8.710 -0.777 1.00 0.00 H new ATOM 0 HG12 VAL A 25 9.634 10.044 0.084 1.00 0.00 H new ATOM 0 HG13 VAL A 25 9.503 8.380 0.701 1.00 0.00 H new ATOM 0 HG21 VAL A 25 9.077 7.021 -2.013 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.142 6.692 -0.535 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.302 7.150 -2.035 1.00 0.00 H new ATOM 439 N GLU A 26 7.348 10.909 1.448 1.00 0.00 N ATOM 440 CA GLU A 26 7.440 12.323 1.914 1.00 0.00 C ATOM 441 C GLU A 26 8.711 12.523 2.743 1.00 0.00 C ATOM 442 O GLU A 26 9.136 11.646 3.467 1.00 0.00 O ATOM 443 CB GLU A 26 6.196 12.538 2.777 1.00 0.00 C ATOM 444 CG GLU A 26 5.179 13.380 2.006 1.00 0.00 C ATOM 445 CD GLU A 26 4.223 14.056 2.990 1.00 0.00 C ATOM 446 OE1 GLU A 26 4.388 13.850 4.182 1.00 0.00 O ATOM 447 OE2 GLU A 26 3.341 14.767 2.536 1.00 0.00 O ATOM 0 H GLU A 26 7.448 10.204 2.178 1.00 0.00 H new ATOM 0 HA GLU A 26 7.487 13.030 1.085 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.758 11.577 3.048 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.467 13.038 3.707 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.693 14.132 1.408 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.620 12.750 1.314 1.00 0.00 H new ATOM 511 N ILE A 32 11.661 10.465 5.956 1.00 0.00 N ATOM 512 CA ILE A 32 11.353 9.358 5.006 1.00 0.00 C ATOM 513 C ILE A 32 10.100 8.604 5.459 1.00 0.00 C ATOM 514 O ILE A 32 10.175 7.633 6.186 1.00 0.00 O ATOM 515 CB ILE A 32 12.584 8.447 5.046 1.00 0.00 C ATOM 516 CG1 ILE A 32 13.606 8.930 4.017 1.00 0.00 C ATOM 517 CG2 ILE A 32 12.175 7.009 4.714 1.00 0.00 C ATOM 518 CD1 ILE A 32 12.946 8.995 2.638 1.00 0.00 C ATOM 0 HA ILE A 32 11.152 9.720 3.998 1.00 0.00 H new ATOM 0 HB ILE A 32 13.022 8.478 6.044 1.00 0.00 H new ATOM 0 HG12 ILE A 32 13.985 9.913 4.298 1.00 0.00 H new ATOM 0 HG13 ILE A 32 14.461 8.254 3.992 1.00 0.00 H new ATOM 0 HG21 ILE A 32 13.054 6.365 4.744 1.00 0.00 H new ATOM 0 HG22 ILE A 32 11.445 6.661 5.444 1.00 0.00 H new ATOM 0 HG23 ILE A 32 11.735 6.977 3.717 1.00 0.00 H new ATOM 0 HD11 ILE A 32 13.673 9.339 1.903 1.00 0.00 H new ATOM 0 HD12 ILE A 32 12.589 8.004 2.359 1.00 0.00 H new ATOM 0 HD13 ILE A 32 12.105 9.688 2.669 1.00 0.00 H new ATOM 530 N LYS A 33 8.948 9.042 5.032 1.00 0.00 N ATOM 531 CA LYS A 33 7.690 8.350 5.434 1.00 0.00 C ATOM 532 C LYS A 33 6.873 7.988 4.191 1.00 0.00 C ATOM 533 O LYS A 33 6.963 8.638 3.168 1.00 0.00 O ATOM 534 CB LYS A 33 6.938 9.361 6.300 1.00 0.00 C ATOM 535 CG LYS A 33 7.908 10.010 7.289 1.00 0.00 C ATOM 536 CD LYS A 33 7.336 9.915 8.705 1.00 0.00 C ATOM 537 CE LYS A 33 6.124 10.841 8.829 1.00 0.00 C ATOM 538 NZ LYS A 33 6.687 12.219 8.786 1.00 0.00 N ATOM 0 H LYS A 33 8.823 9.850 4.422 1.00 0.00 H new ATOM 0 HA LYS A 33 7.880 7.421 5.972 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.479 10.124 5.671 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.131 8.865 6.839 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.877 9.513 7.243 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.072 11.054 7.021 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.046 8.887 8.923 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.096 10.193 9.435 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.417 10.678 8.015 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.585 10.664 9.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.350 12.758 9.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.726 12.170 8.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.379 12.693 7.913 1.00 0.00 H new ATOM 552 N THR A 34 6.077 6.956 4.268 1.00 0.00 N ATOM 553 CA THR A 34 5.259 6.559 3.086 1.00 0.00 C ATOM 554 C THR A 34 3.785 6.889 3.327 1.00 0.00 C ATOM 555 O THR A 34 3.192 6.453 4.291 1.00 0.00 O ATOM 556 CB THR A 34 5.464 5.047 2.952 1.00 0.00 C ATOM 557 OG1 THR A 34 6.562 4.800 2.087 1.00 0.00 O ATOM 558 CG2 THR A 34 4.205 4.398 2.372 1.00 0.00 C ATOM 0 H THR A 34 5.958 6.372 5.096 1.00 0.00 H new ATOM 0 HA THR A 34 5.554 7.089 2.181 1.00 0.00 H new ATOM 0 HB THR A 34 5.664 4.622 3.936 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.131 4.101 2.472 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.359 3.323 2.280 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.360 4.588 3.034 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.998 4.820 1.389 1.00 0.00 H new ATOM 566 N VAL A 35 3.186 7.654 2.456 1.00 0.00 N ATOM 567 CA VAL A 35 1.749 8.003 2.642 1.00 0.00 C ATOM 568 C VAL A 35 0.888 7.275 1.607 1.00 0.00 C ATOM 569 O VAL A 35 1.019 7.485 0.418 1.00 0.00 O ATOM 570 CB VAL A 35 1.677 9.516 2.428 1.00 0.00 C ATOM 571 CG1 VAL A 35 0.282 10.018 2.808 1.00 0.00 C ATOM 572 CG2 VAL A 35 2.722 10.207 3.307 1.00 0.00 C ATOM 0 H VAL A 35 3.627 8.051 1.627 1.00 0.00 H new ATOM 0 HA VAL A 35 1.379 7.711 3.625 1.00 0.00 H new ATOM 0 HB VAL A 35 1.875 9.744 1.381 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.229 11.096 2.656 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.464 9.527 2.184 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.086 9.789 3.856 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.670 11.285 3.154 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.525 9.979 4.354 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.716 9.850 3.039 1.00 0.00 H new ATOM 582 N ILE A 36 -0.001 6.430 2.052 1.00 0.00 N ATOM 583 CA ILE A 36 -0.880 5.699 1.089 1.00 0.00 C ATOM 584 C ILE A 36 -2.213 6.436 0.952 1.00 0.00 C ATOM 585 O ILE A 36 -2.910 6.667 1.921 1.00 0.00 O ATOM 586 CB ILE A 36 -1.102 4.290 1.662 1.00 0.00 C ATOM 587 CG1 ILE A 36 -0.581 4.199 3.100 1.00 0.00 C ATOM 588 CG2 ILE A 36 -0.364 3.269 0.795 1.00 0.00 C ATOM 589 CD1 ILE A 36 0.950 4.177 3.092 1.00 0.00 C ATOM 0 H ILE A 36 -0.158 6.213 3.036 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.424 5.641 0.101 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.172 4.080 1.663 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.939 5.048 3.682 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.965 3.299 3.580 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.520 2.269 1.199 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.747 3.312 -0.224 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.702 3.497 0.792 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.318 4.112 4.116 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.299 3.313 2.526 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.325 5.090 2.629 1.00 0.00 H new ATOM 601 N VAL A 37 -2.568 6.814 -0.243 1.00 0.00 N ATOM 602 CA VAL A 37 -3.851 7.546 -0.445 1.00 0.00 C ATOM 603 C VAL A 37 -4.940 6.601 -0.965 1.00 0.00 C ATOM 604 O VAL A 37 -6.071 6.644 -0.523 1.00 0.00 O ATOM 605 CB VAL A 37 -3.533 8.619 -1.486 1.00 0.00 C ATOM 606 CG1 VAL A 37 -4.669 9.642 -1.529 1.00 0.00 C ATOM 607 CG2 VAL A 37 -2.228 9.324 -1.106 1.00 0.00 C ATOM 0 H VAL A 37 -2.025 6.648 -1.091 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.227 7.972 0.485 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.426 8.154 -2.466 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.442 10.407 -2.271 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.599 9.141 -1.797 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.776 10.108 -0.549 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.999 10.090 -1.847 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.337 9.789 -0.126 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.417 8.596 -1.074 1.00 0.00 H new ATOM 617 N ASN A 38 -4.616 5.756 -1.907 1.00 0.00 N ATOM 618 CA ASN A 38 -5.649 4.827 -2.452 1.00 0.00 C ATOM 619 C ASN A 38 -5.431 3.405 -1.927 1.00 0.00 C ATOM 620 O ASN A 38 -6.188 2.503 -2.228 1.00 0.00 O ATOM 621 CB ASN A 38 -5.457 4.871 -3.968 1.00 0.00 C ATOM 622 CG ASN A 38 -6.761 5.310 -4.636 1.00 0.00 C ATOM 623 OD1 ASN A 38 -6.763 6.200 -5.464 1.00 0.00 O ATOM 624 ND2 ASN A 38 -7.878 4.721 -4.309 1.00 0.00 N ATOM 0 H ASN A 38 -3.688 5.669 -2.320 1.00 0.00 H new ATOM 0 HA ASN A 38 -6.656 5.118 -2.154 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -4.654 5.563 -4.223 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.160 3.889 -4.336 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.753 5.007 -4.748 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -7.876 3.974 -3.614 1.00 0.00 H new ATOM 631 N MET A 39 -4.411 3.194 -1.142 1.00 0.00 N ATOM 632 CA MET A 39 -4.165 1.824 -0.604 1.00 0.00 C ATOM 633 C MET A 39 -5.314 1.411 0.320 1.00 0.00 C ATOM 634 O MET A 39 -5.826 0.311 0.239 1.00 0.00 O ATOM 635 CB MET A 39 -2.859 1.933 0.183 1.00 0.00 C ATOM 636 CG MET A 39 -2.535 0.585 0.828 1.00 0.00 C ATOM 637 SD MET A 39 -3.357 0.474 2.437 1.00 0.00 S ATOM 638 CE MET A 39 -1.869 0.231 3.438 1.00 0.00 C ATOM 0 H MET A 39 -3.740 3.905 -0.850 1.00 0.00 H new ATOM 0 HA MET A 39 -4.102 1.075 -1.393 1.00 0.00 H new ATOM 0 HB2 MET A 39 -2.048 2.235 -0.479 1.00 0.00 H new ATOM 0 HB3 MET A 39 -2.948 2.703 0.950 1.00 0.00 H new ATOM 0 HG2 MET A 39 -2.865 -0.228 0.182 1.00 0.00 H new ATOM 0 HG3 MET A 39 -1.457 0.478 0.950 1.00 0.00 H new ATOM 0 HE1 MET A 39 -2.130 0.278 4.495 1.00 0.00 H new ATOM 0 HE2 MET A 39 -1.435 -0.744 3.214 1.00 0.00 H new ATOM 0 HE3 MET A 39 -1.144 1.012 3.208 1.00 0.00 H new ATOM 648 N VAL A 40 -5.724 2.288 1.194 1.00 0.00 N ATOM 649 CA VAL A 40 -6.842 1.954 2.123 1.00 0.00 C ATOM 650 C VAL A 40 -8.166 1.884 1.358 1.00 0.00 C ATOM 651 O VAL A 40 -8.981 1.012 1.585 1.00 0.00 O ATOM 652 CB VAL A 40 -6.869 3.098 3.136 1.00 0.00 C ATOM 653 CG1 VAL A 40 -7.228 4.403 2.424 1.00 0.00 C ATOM 654 CG2 VAL A 40 -7.917 2.802 4.212 1.00 0.00 C ATOM 0 H VAL A 40 -5.333 3.223 1.306 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.703 0.986 2.603 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.887 3.194 3.599 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.247 5.219 3.147 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.484 4.616 1.657 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -8.210 4.306 1.960 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.937 3.618 4.935 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.898 2.705 3.747 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -7.663 1.872 4.721 1.00 0.00 H new ATOM 664 N ASP A 41 -8.386 2.798 0.452 1.00 0.00 N ATOM 665 CA ASP A 41 -9.658 2.788 -0.326 1.00 0.00 C ATOM 666 C ASP A 41 -9.770 1.501 -1.146 1.00 0.00 C ATOM 667 O ASP A 41 -10.777 0.822 -1.122 1.00 0.00 O ATOM 668 CB ASP A 41 -9.566 4.004 -1.248 1.00 0.00 C ATOM 669 CG ASP A 41 -10.949 4.316 -1.824 1.00 0.00 C ATOM 670 OD1 ASP A 41 -11.925 3.866 -1.245 1.00 0.00 O ATOM 671 OD2 ASP A 41 -11.009 4.999 -2.833 1.00 0.00 O ATOM 0 H ASP A 41 -7.740 3.551 0.217 1.00 0.00 H new ATOM 0 HA ASP A 41 -10.536 2.829 0.319 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.188 4.864 -0.696 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -8.860 3.809 -2.055 1.00 0.00 H new ATOM 676 N VAL A 42 -8.741 1.158 -1.873 1.00 0.00 N ATOM 677 CA VAL A 42 -8.791 -0.086 -2.694 1.00 0.00 C ATOM 678 C VAL A 42 -8.814 -1.318 -1.785 1.00 0.00 C ATOM 679 O VAL A 42 -9.564 -2.249 -2.007 1.00 0.00 O ATOM 680 CB VAL A 42 -7.514 -0.060 -3.533 1.00 0.00 C ATOM 681 CG1 VAL A 42 -7.421 1.272 -4.278 1.00 0.00 C ATOM 682 CG2 VAL A 42 -6.297 -0.216 -2.617 1.00 0.00 C ATOM 0 H VAL A 42 -7.869 1.684 -1.934 1.00 0.00 H new ATOM 0 HA VAL A 42 -9.684 -0.135 -3.317 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.536 -0.879 -4.252 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.510 1.291 -4.877 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.287 1.385 -4.931 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.400 2.091 -3.559 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.386 -0.197 -3.216 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.275 0.603 -1.898 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.362 -1.165 -2.084 1.00 0.00 H new ATOM 692 N ALA A 43 -8.002 -1.332 -0.765 1.00 0.00 N ATOM 693 CA ALA A 43 -7.981 -2.506 0.155 1.00 0.00 C ATOM 694 C ALA A 43 -9.346 -2.681 0.820 1.00 0.00 C ATOM 695 O ALA A 43 -9.887 -3.768 0.876 1.00 0.00 O ATOM 696 CB ALA A 43 -6.913 -2.174 1.199 1.00 0.00 C ATOM 0 H ALA A 43 -7.352 -0.583 -0.528 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.762 -3.437 -0.369 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.837 -2.992 1.915 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.952 -2.034 0.704 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.188 -1.258 1.723 1.00 0.00 H new ATOM 702 N LYS A 44 -9.904 -1.619 1.321 1.00 0.00 N ATOM 703 CA LYS A 44 -11.236 -1.715 1.984 1.00 0.00 C ATOM 704 C LYS A 44 -12.318 -2.048 0.953 1.00 0.00 C ATOM 705 O LYS A 44 -13.248 -2.779 1.231 1.00 0.00 O ATOM 706 CB LYS A 44 -11.478 -0.331 2.587 1.00 0.00 C ATOM 707 CG LYS A 44 -12.386 -0.459 3.812 1.00 0.00 C ATOM 708 CD LYS A 44 -13.611 0.441 3.636 1.00 0.00 C ATOM 709 CE LYS A 44 -14.806 -0.175 4.366 1.00 0.00 C ATOM 710 NZ LYS A 44 -15.270 -1.280 3.480 1.00 0.00 N ATOM 0 H LYS A 44 -9.496 -0.684 1.301 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.266 -2.500 2.739 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.529 0.125 2.870 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.938 0.324 1.847 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -12.698 -1.495 3.940 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.841 -0.177 4.713 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -13.404 1.436 4.030 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -13.840 0.559 2.577 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.518 -0.551 5.348 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -15.594 0.561 4.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.270 -1.133 3.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -14.699 -1.291 2.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -15.165 -2.189 3.974 1.00 0.00 H new ATOM 724 N ALA A 45 -12.203 -1.519 -0.234 1.00 0.00 N ATOM 725 CA ALA A 45 -13.227 -1.805 -1.280 1.00 0.00 C ATOM 726 C ALA A 45 -13.125 -3.261 -1.739 1.00 0.00 C ATOM 727 O ALA A 45 -14.108 -3.878 -2.098 1.00 0.00 O ATOM 728 CB ALA A 45 -12.891 -0.855 -2.430 1.00 0.00 C ATOM 0 H ALA A 45 -11.445 -0.902 -0.525 1.00 0.00 H new ATOM 0 HA ALA A 45 -14.243 -1.660 -0.914 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -13.601 -1.003 -3.243 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -12.950 0.175 -2.080 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.882 -1.059 -2.788 1.00 0.00 H new ATOM 734 N LEU A 46 -11.944 -3.818 -1.731 1.00 0.00 N ATOM 735 CA LEU A 46 -11.786 -5.234 -2.169 1.00 0.00 C ATOM 736 C LEU A 46 -11.477 -6.131 -0.966 1.00 0.00 C ATOM 737 O LEU A 46 -11.335 -7.330 -1.094 1.00 0.00 O ATOM 738 CB LEU A 46 -10.608 -5.218 -3.144 1.00 0.00 C ATOM 739 CG LEU A 46 -9.309 -4.977 -2.373 1.00 0.00 C ATOM 740 CD1 LEU A 46 -8.652 -6.318 -2.044 1.00 0.00 C ATOM 741 CD2 LEU A 46 -8.356 -4.143 -3.232 1.00 0.00 C ATOM 0 H LEU A 46 -11.083 -3.354 -1.441 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.692 -5.626 -2.631 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.554 -6.165 -3.681 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.751 -4.436 -3.890 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.530 -4.444 -1.448 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.727 -6.145 -1.495 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.330 -6.915 -1.434 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -8.431 -6.851 -2.969 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.430 -3.970 -2.684 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.137 -4.678 -4.156 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.822 -3.186 -3.468 1.00 0.00 H new ATOM 753 N ASN A 47 -11.372 -5.559 0.203 1.00 0.00 N ATOM 754 CA ASN A 47 -11.072 -6.382 1.411 1.00 0.00 C ATOM 755 C ASN A 47 -11.237 -5.542 2.680 1.00 0.00 C ATOM 756 O ASN A 47 -11.979 -4.579 2.708 1.00 0.00 O ATOM 757 CB ASN A 47 -9.617 -6.819 1.243 1.00 0.00 C ATOM 758 CG ASN A 47 -9.530 -8.345 1.313 1.00 0.00 C ATOM 759 OD1 ASN A 47 -10.046 -8.953 2.230 1.00 0.00 O ATOM 760 ND2 ASN A 47 -8.895 -8.993 0.376 1.00 0.00 N ATOM 0 H ASN A 47 -11.481 -4.559 0.374 1.00 0.00 H new ATOM 0 HA ASN A 47 -11.745 -7.234 1.506 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -9.228 -6.466 0.288 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -9.000 -6.373 2.023 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -8.831 -10.010 0.413 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -8.462 -8.482 -0.394 1.00 0.00 H new ATOM 767 N ARG A 48 -10.553 -5.900 3.733 1.00 0.00 N ATOM 768 CA ARG A 48 -10.672 -5.124 5.001 1.00 0.00 C ATOM 769 C ARG A 48 -9.576 -4.057 5.075 1.00 0.00 C ATOM 770 O ARG A 48 -8.707 -3.999 4.228 1.00 0.00 O ATOM 771 CB ARG A 48 -10.491 -6.156 6.114 1.00 0.00 C ATOM 772 CG ARG A 48 -11.851 -6.485 6.732 1.00 0.00 C ATOM 773 CD ARG A 48 -11.892 -7.966 7.116 1.00 0.00 C ATOM 774 NE ARG A 48 -13.201 -8.459 6.606 1.00 0.00 N ATOM 775 CZ ARG A 48 -13.265 -9.589 5.958 1.00 0.00 C ATOM 776 NH1 ARG A 48 -13.073 -9.613 4.667 1.00 0.00 N ATOM 777 NH2 ARG A 48 -13.522 -10.696 6.599 1.00 0.00 N ATOM 0 H ARG A 48 -9.917 -6.696 3.770 1.00 0.00 H new ATOM 0 HA ARG A 48 -11.626 -4.603 5.078 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -10.033 -7.061 5.714 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.817 -5.768 6.878 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -12.022 -5.865 7.612 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -12.648 -6.260 6.024 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -11.062 -8.513 6.668 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -11.814 -8.096 8.195 1.00 0.00 H new ATOM 0 HE ARG A 48 -14.048 -7.913 6.763 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -12.873 -8.748 4.165 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -13.123 -10.497 4.160 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -13.673 -10.678 7.608 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -13.572 -11.579 6.091 1.00 0.00 H new ATOM 791 N PRO A 49 -9.658 -3.247 6.094 1.00 0.00 N ATOM 792 CA PRO A 49 -8.663 -2.165 6.292 1.00 0.00 C ATOM 793 C PRO A 49 -7.324 -2.750 6.754 1.00 0.00 C ATOM 794 O PRO A 49 -7.273 -3.513 7.698 1.00 0.00 O ATOM 795 CB PRO A 49 -9.285 -1.300 7.385 1.00 0.00 C ATOM 796 CG PRO A 49 -10.203 -2.218 8.129 1.00 0.00 C ATOM 797 CD PRO A 49 -10.677 -3.261 7.149 1.00 0.00 C ATOM 0 HA PRO A 49 -8.452 -1.604 5.381 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -8.521 -0.886 8.044 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -9.829 -0.457 6.959 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.685 -2.684 8.967 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -11.047 -1.666 8.543 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -10.753 -4.243 7.617 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -11.664 -3.018 6.754 1.00 0.00 H new ATOM 805 N PRO A 50 -6.283 -2.370 6.065 1.00 0.00 N ATOM 806 CA PRO A 50 -4.925 -2.861 6.402 1.00 0.00 C ATOM 807 C PRO A 50 -4.392 -2.159 7.655 1.00 0.00 C ATOM 808 O PRO A 50 -3.259 -2.352 8.049 1.00 0.00 O ATOM 809 CB PRO A 50 -4.095 -2.485 5.178 1.00 0.00 C ATOM 810 CG PRO A 50 -4.815 -1.328 4.557 1.00 0.00 C ATOM 811 CD PRO A 50 -6.273 -1.457 4.917 1.00 0.00 C ATOM 0 HA PRO A 50 -4.900 -3.929 6.620 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -3.079 -2.211 5.460 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -4.018 -3.321 4.482 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -4.412 -0.384 4.923 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -4.685 -1.332 3.475 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -6.706 -0.490 5.174 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.854 -1.856 4.086 1.00 0.00 H new ATOM 819 N THR A 51 -5.198 -1.351 8.285 1.00 0.00 N ATOM 820 CA THR A 51 -4.732 -0.642 9.512 1.00 0.00 C ATOM 821 C THR A 51 -4.244 -1.651 10.556 1.00 0.00 C ATOM 822 O THR A 51 -3.417 -1.342 11.392 1.00 0.00 O ATOM 823 CB THR A 51 -5.963 0.108 10.025 1.00 0.00 C ATOM 824 OG1 THR A 51 -7.132 -0.639 9.718 1.00 0.00 O ATOM 825 CG2 THR A 51 -6.044 1.482 9.358 1.00 0.00 C ATOM 0 H THR A 51 -6.158 -1.150 8.005 1.00 0.00 H new ATOM 0 HA THR A 51 -3.898 0.030 9.309 1.00 0.00 H new ATOM 0 HB THR A 51 -5.885 0.237 11.105 1.00 0.00 H new ATOM 0 HG1 THR A 51 -7.923 -0.073 9.840 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.922 2.014 9.725 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.147 2.055 9.595 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.121 1.358 8.278 1.00 0.00 H new ATOM 833 N TYR A 52 -4.751 -2.852 10.518 1.00 0.00 N ATOM 834 CA TYR A 52 -4.319 -3.878 11.513 1.00 0.00 C ATOM 835 C TYR A 52 -3.031 -4.577 11.057 1.00 0.00 C ATOM 836 O TYR A 52 -2.052 -4.596 11.777 1.00 0.00 O ATOM 837 CB TYR A 52 -5.475 -4.877 11.578 1.00 0.00 C ATOM 838 CG TYR A 52 -5.875 -5.093 13.018 1.00 0.00 C ATOM 839 CD1 TYR A 52 -6.816 -4.247 13.617 1.00 0.00 C ATOM 840 CD2 TYR A 52 -5.306 -6.138 13.752 1.00 0.00 C ATOM 841 CE1 TYR A 52 -7.186 -4.448 14.953 1.00 0.00 C ATOM 842 CE2 TYR A 52 -5.676 -6.340 15.087 1.00 0.00 C ATOM 843 CZ TYR A 52 -6.616 -5.495 15.687 1.00 0.00 C ATOM 844 OH TYR A 52 -6.982 -5.694 17.003 1.00 0.00 O ATOM 0 H TYR A 52 -5.446 -3.169 9.842 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.102 -3.433 12.484 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -6.324 -4.504 11.006 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -5.177 -5.823 11.126 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -7.256 -3.440 13.050 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -4.580 -6.790 13.289 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -7.911 -3.795 15.417 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.236 -7.148 15.653 1.00 0.00 H new ATOM 0 HH TYR A 52 -6.494 -6.463 17.366 1.00 0.00 H new ATOM 854 N PRO A 53 -3.078 -5.139 9.878 1.00 0.00 N ATOM 855 CA PRO A 53 -1.899 -5.859 9.329 1.00 0.00 C ATOM 856 C PRO A 53 -0.780 -4.881 8.952 1.00 0.00 C ATOM 857 O PRO A 53 0.378 -5.246 8.893 1.00 0.00 O ATOM 858 CB PRO A 53 -2.452 -6.559 8.091 1.00 0.00 C ATOM 859 CG PRO A 53 -3.642 -5.749 7.689 1.00 0.00 C ATOM 860 CD PRO A 53 -4.216 -5.160 8.951 1.00 0.00 C ATOM 0 HA PRO A 53 -1.456 -6.550 10.046 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.710 -6.594 7.293 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -2.732 -7.589 8.312 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -3.356 -4.962 6.991 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -4.380 -6.371 7.183 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -4.612 -4.159 8.781 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -5.036 -5.765 9.338 1.00 0.00 H new ATOM 868 N THR A 54 -1.109 -3.645 8.693 1.00 0.00 N ATOM 869 CA THR A 54 -0.054 -2.659 8.319 1.00 0.00 C ATOM 870 C THR A 54 1.023 -2.598 9.407 1.00 0.00 C ATOM 871 O THR A 54 2.107 -2.093 9.193 1.00 0.00 O ATOM 872 CB THR A 54 -0.779 -1.319 8.208 1.00 0.00 C ATOM 873 OG1 THR A 54 0.156 -0.304 7.870 1.00 0.00 O ATOM 874 CG2 THR A 54 -1.441 -0.982 9.545 1.00 0.00 C ATOM 0 H THR A 54 -2.059 -3.276 8.724 1.00 0.00 H new ATOM 0 HA THR A 54 0.447 -2.927 7.389 1.00 0.00 H new ATOM 0 HB THR A 54 -1.544 -1.382 7.434 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.307 0.556 7.797 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.958 -0.026 9.464 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.158 -1.761 9.803 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.679 -0.918 10.322 1.00 0.00 H new ATOM 882 N LYS A 55 0.732 -3.105 10.574 1.00 0.00 N ATOM 883 CA LYS A 55 1.738 -3.072 11.674 1.00 0.00 C ATOM 884 C LYS A 55 2.898 -4.023 11.364 1.00 0.00 C ATOM 885 O LYS A 55 4.053 -3.681 11.521 1.00 0.00 O ATOM 886 CB LYS A 55 0.981 -3.538 12.918 1.00 0.00 C ATOM 887 CG LYS A 55 1.948 -3.625 14.101 1.00 0.00 C ATOM 888 CD LYS A 55 1.942 -5.050 14.659 1.00 0.00 C ATOM 889 CE LYS A 55 1.773 -5.002 16.180 1.00 0.00 C ATOM 890 NZ LYS A 55 3.077 -5.472 16.726 1.00 0.00 N ATOM 0 H LYS A 55 -0.159 -3.541 10.813 1.00 0.00 H new ATOM 0 HA LYS A 55 2.170 -2.080 11.806 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.172 -2.844 13.146 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.524 -4.511 12.736 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.954 -3.351 13.783 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.655 -2.918 14.877 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.131 -5.624 14.210 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.872 -5.557 14.402 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.543 -3.992 16.520 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.954 -5.643 16.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.040 -5.467 17.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.266 -6.438 16.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.837 -4.839 16.404 1.00 0.00 H new ATOM 904 N TYR A 56 2.601 -5.216 10.924 1.00 0.00 N ATOM 905 CA TYR A 56 3.689 -6.185 10.606 1.00 0.00 C ATOM 906 C TYR A 56 4.568 -5.638 9.478 1.00 0.00 C ATOM 907 O TYR A 56 5.780 -5.618 9.574 1.00 0.00 O ATOM 908 CB TYR A 56 2.969 -7.458 10.157 1.00 0.00 C ATOM 909 CG TYR A 56 3.156 -8.536 11.197 1.00 0.00 C ATOM 910 CD1 TYR A 56 2.393 -8.517 12.370 1.00 0.00 C ATOM 911 CD2 TYR A 56 4.094 -9.556 10.987 1.00 0.00 C ATOM 912 CE1 TYR A 56 2.567 -9.517 13.334 1.00 0.00 C ATOM 913 CE2 TYR A 56 4.267 -10.555 11.952 1.00 0.00 C ATOM 914 CZ TYR A 56 3.504 -10.536 13.125 1.00 0.00 C ATOM 915 OH TYR A 56 3.675 -11.521 14.076 1.00 0.00 O ATOM 0 H TYR A 56 1.653 -5.561 10.771 1.00 0.00 H new ATOM 0 HA TYR A 56 4.343 -6.368 11.459 1.00 0.00 H new ATOM 0 HB2 TYR A 56 1.907 -7.257 10.013 1.00 0.00 H new ATOM 0 HB3 TYR A 56 3.363 -7.792 9.197 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.670 -7.731 12.531 1.00 0.00 H new ATOM 0 HD2 TYR A 56 4.683 -9.571 10.082 1.00 0.00 H new ATOM 0 HE1 TYR A 56 1.978 -9.502 14.239 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.990 -11.341 11.791 1.00 0.00 H new ATOM 0 HH TYR A 56 4.362 -12.151 13.775 1.00 0.00 H new ATOM 925 N PHE A 57 3.966 -5.193 8.409 1.00 0.00 N ATOM 926 CA PHE A 57 4.768 -4.645 7.280 1.00 0.00 C ATOM 927 C PHE A 57 5.640 -3.489 7.773 1.00 0.00 C ATOM 928 O PHE A 57 6.763 -3.319 7.344 1.00 0.00 O ATOM 929 CB PHE A 57 3.738 -4.149 6.265 1.00 0.00 C ATOM 930 CG PHE A 57 2.730 -5.241 5.995 1.00 0.00 C ATOM 931 CD1 PHE A 57 3.107 -6.585 6.110 1.00 0.00 C ATOM 932 CD2 PHE A 57 1.420 -4.910 5.629 1.00 0.00 C ATOM 933 CE1 PHE A 57 2.173 -7.597 5.860 1.00 0.00 C ATOM 934 CE2 PHE A 57 0.486 -5.922 5.380 1.00 0.00 C ATOM 935 CZ PHE A 57 0.861 -7.266 5.496 1.00 0.00 C ATOM 0 H PHE A 57 2.956 -5.185 8.269 1.00 0.00 H new ATOM 0 HA PHE A 57 5.437 -5.388 6.846 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.234 -3.261 6.647 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.234 -3.861 5.338 1.00 0.00 H new ATOM 0 HD1 PHE A 57 4.118 -6.840 6.391 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.130 -3.874 5.539 1.00 0.00 H new ATOM 0 HE1 PHE A 57 2.464 -8.633 5.948 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.525 -5.666 5.098 1.00 0.00 H new ATOM 0 HZ PHE A 57 0.140 -8.047 5.305 1.00 0.00 H new ATOM 945 N GLY A 58 5.131 -2.697 8.678 1.00 0.00 N ATOM 946 CA GLY A 58 5.933 -1.556 9.203 1.00 0.00 C ATOM 947 C GLY A 58 7.215 -2.090 9.844 1.00 0.00 C ATOM 948 O GLY A 58 8.275 -1.511 9.711 1.00 0.00 O ATOM 0 H GLY A 58 4.196 -2.791 9.075 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.177 -0.866 8.395 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.353 -0.996 9.936 1.00 0.00 H new ATOM 952 N CYS A 59 7.130 -3.190 10.537 1.00 0.00 N ATOM 953 CA CYS A 59 8.349 -3.758 11.181 1.00 0.00 C ATOM 954 C CYS A 59 9.424 -4.020 10.123 1.00 0.00 C ATOM 955 O CYS A 59 10.601 -3.833 10.358 1.00 0.00 O ATOM 956 CB CYS A 59 7.888 -5.070 11.815 1.00 0.00 C ATOM 957 SG CYS A 59 7.547 -4.804 13.573 1.00 0.00 S ATOM 0 H CYS A 59 6.272 -3.721 10.686 1.00 0.00 H new ATOM 0 HA CYS A 59 8.783 -3.083 11.918 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.993 -5.435 11.311 1.00 0.00 H new ATOM 0 HB3 CYS A 59 8.656 -5.834 11.694 1.00 0.00 H new ATOM 0 HG CYS A 59 7.153 -5.919 14.112 1.00 0.00 H new ATOM 963 N GLU A 60 9.024 -4.456 8.958 1.00 0.00 N ATOM 964 CA GLU A 60 10.019 -4.735 7.883 1.00 0.00 C ATOM 965 C GLU A 60 10.798 -3.465 7.522 1.00 0.00 C ATOM 966 O GLU A 60 12.011 -3.471 7.453 1.00 0.00 O ATOM 967 CB GLU A 60 9.186 -5.207 6.690 1.00 0.00 C ATOM 968 CG GLU A 60 9.424 -6.701 6.459 1.00 0.00 C ATOM 969 CD GLU A 60 8.737 -7.504 7.565 1.00 0.00 C ATOM 970 OE1 GLU A 60 7.520 -7.464 7.631 1.00 0.00 O ATOM 971 OE2 GLU A 60 9.440 -8.148 8.326 1.00 0.00 O ATOM 0 H GLU A 60 8.051 -4.631 8.705 1.00 0.00 H new ATOM 0 HA GLU A 60 10.756 -5.476 8.192 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.128 -5.021 6.875 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.457 -4.643 5.798 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.034 -6.996 5.485 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.493 -6.913 6.452 1.00 0.00 H new ATOM 978 N LEU A 61 10.114 -2.379 7.282 1.00 0.00 N ATOM 979 CA LEU A 61 10.826 -1.116 6.916 1.00 0.00 C ATOM 980 C LEU A 61 11.308 -0.381 8.174 1.00 0.00 C ATOM 981 O LEU A 61 11.706 0.764 8.117 1.00 0.00 O ATOM 982 CB LEU A 61 9.799 -0.271 6.155 1.00 0.00 C ATOM 983 CG LEU A 61 8.444 -0.326 6.864 1.00 0.00 C ATOM 984 CD1 LEU A 61 7.854 1.081 6.954 1.00 0.00 C ATOM 985 CD2 LEU A 61 7.493 -1.225 6.071 1.00 0.00 C ATOM 0 H LEU A 61 9.097 -2.309 7.323 1.00 0.00 H new ATOM 0 HA LEU A 61 11.711 -1.314 6.312 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.143 0.761 6.090 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.699 -0.639 5.134 1.00 0.00 H new ATOM 0 HG LEU A 61 8.577 -0.728 7.869 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.889 1.039 7.459 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.531 1.724 7.517 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.721 1.485 5.950 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.527 -1.266 6.574 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.363 -0.821 5.067 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.911 -2.230 6.006 1.00 0.00 H new ATOM 997 N GLY A 62 11.284 -1.033 9.306 1.00 0.00 N ATOM 998 CA GLY A 62 11.751 -0.371 10.559 1.00 0.00 C ATOM 999 C GLY A 62 10.812 0.783 10.922 1.00 0.00 C ATOM 1000 O GLY A 62 11.061 1.532 11.844 1.00 0.00 O ATOM 0 H GLY A 62 10.962 -1.994 9.417 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.782 -1.095 11.373 1.00 0.00 H new ATOM 0 HA3 GLY A 62 12.766 0.003 10.426 1.00 0.00 H new ATOM 1004 N ALA A 63 9.733 0.929 10.205 1.00 0.00 N ATOM 1005 CA ALA A 63 8.773 2.030 10.507 1.00 0.00 C ATOM 1006 C ALA A 63 7.429 1.437 10.931 1.00 0.00 C ATOM 1007 O ALA A 63 7.165 0.274 10.712 1.00 0.00 O ATOM 1008 CB ALA A 63 8.632 2.802 9.198 1.00 0.00 C ATOM 0 H ALA A 63 9.473 0.332 9.420 1.00 0.00 H new ATOM 0 HA ALA A 63 9.113 2.673 11.319 1.00 0.00 H new ATOM 0 HB1 ALA A 63 7.939 3.632 9.338 1.00 0.00 H new ATOM 0 HB2 ALA A 63 9.606 3.189 8.897 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.250 2.137 8.423 1.00 0.00 H new ATOM 1014 N GLN A 64 6.575 2.213 11.540 1.00 0.00 N ATOM 1015 CA GLN A 64 5.268 1.664 11.965 1.00 0.00 C ATOM 1016 C GLN A 64 4.159 2.202 11.063 1.00 0.00 C ATOM 1017 O GLN A 64 4.145 1.969 9.871 1.00 0.00 O ATOM 1018 CB GLN A 64 5.090 2.145 13.405 1.00 0.00 C ATOM 1019 CG GLN A 64 3.914 1.409 14.050 1.00 0.00 C ATOM 1020 CD GLN A 64 4.343 -0.012 14.422 1.00 0.00 C ATOM 1021 OE1 GLN A 64 4.893 -0.234 15.483 1.00 0.00 O ATOM 1022 NE2 GLN A 64 4.114 -0.989 13.588 1.00 0.00 N ATOM 0 H GLN A 64 6.729 3.197 11.758 1.00 0.00 H new ATOM 0 HA GLN A 64 5.225 0.577 11.898 1.00 0.00 H new ATOM 0 HB2 GLN A 64 6.002 1.965 13.975 1.00 0.00 H new ATOM 0 HB3 GLN A 64 4.912 3.220 13.421 1.00 0.00 H new ATOM 0 HG2 GLN A 64 3.580 1.944 14.939 1.00 0.00 H new ATOM 0 HG3 GLN A 64 3.070 1.377 13.361 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.652 -0.802 12.698 1.00 0.00 H new ATOM 0 HE22 GLN A 64 4.397 -1.940 13.826 1.00 0.00 H new ATOM 1031 N THR A 65 3.226 2.914 11.622 1.00 0.00 N ATOM 1032 CA THR A 65 2.113 3.462 10.796 1.00 0.00 C ATOM 1033 C THR A 65 1.604 4.788 11.370 1.00 0.00 C ATOM 1034 O THR A 65 1.946 5.177 12.468 1.00 0.00 O ATOM 1035 CB THR A 65 1.013 2.401 10.843 1.00 0.00 C ATOM 1036 OG1 THR A 65 0.258 2.555 12.038 1.00 0.00 O ATOM 1037 CG2 THR A 65 1.637 1.005 10.808 1.00 0.00 C ATOM 0 H THR A 65 3.183 3.142 12.615 1.00 0.00 H new ATOM 0 HA THR A 65 2.437 3.670 9.776 1.00 0.00 H new ATOM 0 HB THR A 65 0.359 2.522 9.980 1.00 0.00 H new ATOM 0 HG1 THR A 65 -0.691 2.659 11.815 1.00 0.00 H new ATOM 0 HG21 THR A 65 0.849 0.253 10.842 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.212 0.887 9.890 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.295 0.879 11.668 1.00 0.00 H new ATOM 1045 N GLN A 66 0.767 5.469 10.636 1.00 0.00 N ATOM 1046 CA GLN A 66 0.200 6.758 11.133 1.00 0.00 C ATOM 1047 C GLN A 66 -1.226 6.898 10.604 1.00 0.00 C ATOM 1048 O GLN A 66 -1.511 6.543 9.477 1.00 0.00 O ATOM 1049 CB GLN A 66 1.107 7.848 10.556 1.00 0.00 C ATOM 1050 CG GLN A 66 2.042 8.365 11.650 1.00 0.00 C ATOM 1051 CD GLN A 66 1.245 9.204 12.650 1.00 0.00 C ATOM 1052 OE1 GLN A 66 1.123 8.841 13.804 1.00 0.00 O ATOM 1053 NE2 GLN A 66 0.693 10.318 12.256 1.00 0.00 N ATOM 0 H GLN A 66 0.449 5.188 9.709 1.00 0.00 H new ATOM 0 HA GLN A 66 0.160 6.819 12.221 1.00 0.00 H new ATOM 0 HB2 GLN A 66 1.688 7.450 9.724 1.00 0.00 H new ATOM 0 HB3 GLN A 66 0.505 8.666 10.161 1.00 0.00 H new ATOM 0 HG2 GLN A 66 2.519 7.528 12.160 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.838 8.965 11.209 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.795 10.623 11.288 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.159 10.884 12.916 1.00 0.00 H new ATOM 1062 N PHE A 67 -2.137 7.381 11.403 1.00 0.00 N ATOM 1063 CA PHE A 67 -3.539 7.489 10.914 1.00 0.00 C ATOM 1064 C PHE A 67 -4.114 8.890 11.072 1.00 0.00 C ATOM 1065 O PHE A 67 -3.879 9.568 12.053 1.00 0.00 O ATOM 1066 CB PHE A 67 -4.304 6.472 11.749 1.00 0.00 C ATOM 1067 CG PHE A 67 -4.062 5.139 11.115 1.00 0.00 C ATOM 1068 CD1 PHE A 67 -4.359 4.984 9.767 1.00 0.00 C ATOM 1069 CD2 PHE A 67 -3.501 4.087 11.843 1.00 0.00 C ATOM 1070 CE1 PHE A 67 -4.106 3.778 9.130 1.00 0.00 C ATOM 1071 CE2 PHE A 67 -3.234 2.870 11.204 1.00 0.00 C ATOM 1072 CZ PHE A 67 -3.539 2.716 9.845 1.00 0.00 C ATOM 0 H PHE A 67 -1.975 7.701 12.358 1.00 0.00 H new ATOM 0 HA PHE A 67 -3.606 7.293 9.844 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.958 6.479 12.783 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -5.368 6.706 11.767 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -4.788 5.805 9.213 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -3.275 4.212 12.892 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.346 3.658 8.084 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -2.794 2.053 11.757 1.00 0.00 H new ATOM 0 HZ PHE A 67 -3.337 1.778 9.349 1.00 0.00 H new ATOM 1082 N ASP A 68 -4.898 9.317 10.117 1.00 0.00 N ATOM 1083 CA ASP A 68 -5.520 10.663 10.225 1.00 0.00 C ATOM 1084 C ASP A 68 -7.042 10.512 10.202 1.00 0.00 C ATOM 1085 O ASP A 68 -7.614 10.048 9.236 1.00 0.00 O ATOM 1086 CB ASP A 68 -5.030 11.434 8.999 1.00 0.00 C ATOM 1087 CG ASP A 68 -3.501 11.399 8.950 1.00 0.00 C ATOM 1088 OD1 ASP A 68 -2.950 10.313 9.029 1.00 0.00 O ATOM 1089 OD2 ASP A 68 -2.907 12.457 8.833 1.00 0.00 O ATOM 0 H ASP A 68 -5.132 8.793 9.273 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.255 11.181 11.147 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.443 10.995 8.091 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.379 12.466 9.042 1.00 0.00 H new ATOM 1094 N VAL A 69 -7.701 10.896 11.258 1.00 0.00 N ATOM 1095 CA VAL A 69 -9.185 10.766 11.292 1.00 0.00 C ATOM 1096 C VAL A 69 -9.824 12.032 10.728 1.00 0.00 C ATOM 1097 O VAL A 69 -10.727 11.974 9.917 1.00 0.00 O ATOM 1098 CB VAL A 69 -9.533 10.579 12.767 1.00 0.00 C ATOM 1099 CG1 VAL A 69 -8.712 9.418 13.332 1.00 0.00 C ATOM 1100 CG2 VAL A 69 -9.205 11.858 13.539 1.00 0.00 C ATOM 0 H VAL A 69 -7.279 11.293 12.097 1.00 0.00 H new ATOM 0 HA VAL A 69 -9.551 9.934 10.691 1.00 0.00 H new ATOM 0 HB VAL A 69 -10.596 10.362 12.867 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.956 9.279 14.385 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -8.945 8.506 12.782 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.650 9.641 13.232 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.454 11.722 14.591 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.142 12.078 13.444 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.785 12.687 13.133 1.00 0.00 H new ATOM 1110 N LYS A 70 -9.349 13.178 11.129 1.00 0.00 N ATOM 1111 CA LYS A 70 -9.919 14.439 10.586 1.00 0.00 C ATOM 1112 C LYS A 70 -9.491 14.582 9.126 1.00 0.00 C ATOM 1113 O LYS A 70 -9.916 15.477 8.424 1.00 0.00 O ATOM 1114 CB LYS A 70 -9.317 15.554 11.442 1.00 0.00 C ATOM 1115 CG LYS A 70 -10.242 16.774 11.417 1.00 0.00 C ATOM 1116 CD LYS A 70 -11.659 16.349 11.807 1.00 0.00 C ATOM 1117 CE LYS A 70 -12.238 17.352 12.807 1.00 0.00 C ATOM 1118 NZ LYS A 70 -13.615 16.861 13.092 1.00 0.00 N ATOM 0 H LYS A 70 -8.595 13.295 11.806 1.00 0.00 H new ATOM 0 HA LYS A 70 -11.008 14.465 10.617 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.182 15.208 12.467 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.331 15.824 11.065 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -9.876 17.535 12.107 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -10.246 17.220 10.423 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.291 16.298 10.921 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -11.643 15.351 12.245 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -11.638 17.394 13.716 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.256 18.359 12.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -14.077 17.498 13.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.165 16.838 12.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -13.566 15.903 13.494 1.00 0.00 H new ATOM 1132 N ASN A 71 -8.646 13.694 8.668 1.00 0.00 N ATOM 1133 CA ASN A 71 -8.179 13.758 7.257 1.00 0.00 C ATOM 1134 C ASN A 71 -8.529 12.458 6.525 1.00 0.00 C ATOM 1135 O ASN A 71 -8.666 12.443 5.318 1.00 0.00 O ATOM 1136 CB ASN A 71 -6.663 13.934 7.343 1.00 0.00 C ATOM 1137 CG ASN A 71 -6.324 14.927 8.457 1.00 0.00 C ATOM 1138 OD1 ASN A 71 -7.111 15.797 8.770 1.00 0.00 O ATOM 1139 ND2 ASN A 71 -5.176 14.833 9.071 1.00 0.00 N ATOM 0 H ASN A 71 -8.260 12.925 9.216 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.650 14.571 6.705 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -6.186 12.974 7.540 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -6.274 14.294 6.390 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.940 15.491 9.814 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.515 14.102 8.808 1.00 0.00 H new ATOM 1146 N ASP A 72 -8.674 11.365 7.239 1.00 0.00 N ATOM 1147 CA ASP A 72 -9.017 10.076 6.565 1.00 0.00 C ATOM 1148 C ASP A 72 -7.830 9.589 5.744 1.00 0.00 C ATOM 1149 O ASP A 72 -7.959 8.754 4.869 1.00 0.00 O ATOM 1150 CB ASP A 72 -10.163 10.420 5.633 1.00 0.00 C ATOM 1151 CG ASP A 72 -11.161 11.332 6.350 1.00 0.00 C ATOM 1152 OD1 ASP A 72 -11.659 10.932 7.390 1.00 0.00 O ATOM 1153 OD2 ASP A 72 -11.410 12.415 5.847 1.00 0.00 O ATOM 0 H ASP A 72 -8.570 11.312 8.252 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.274 9.294 7.279 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -9.781 10.915 4.740 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -10.662 9.508 5.304 1.00 0.00 H new ATOM 1158 N ARG A 73 -6.680 10.115 6.014 1.00 0.00 N ATOM 1159 CA ARG A 73 -5.471 9.702 5.251 1.00 0.00 C ATOM 1160 C ARG A 73 -4.505 8.972 6.176 1.00 0.00 C ATOM 1161 O ARG A 73 -4.185 9.439 7.251 1.00 0.00 O ATOM 1162 CB ARG A 73 -4.852 11.006 4.747 1.00 0.00 C ATOM 1163 CG ARG A 73 -4.775 10.979 3.219 1.00 0.00 C ATOM 1164 CD ARG A 73 -3.408 11.495 2.766 1.00 0.00 C ATOM 1165 NE ARG A 73 -3.385 12.928 3.172 1.00 0.00 N ATOM 1166 CZ ARG A 73 -4.366 13.718 2.831 1.00 0.00 C ATOM 1167 NH1 ARG A 73 -4.700 13.840 1.575 1.00 0.00 N ATOM 1168 NH2 ARG A 73 -5.013 14.387 3.746 1.00 0.00 N ATOM 0 H ARG A 73 -6.518 10.819 6.734 1.00 0.00 H new ATOM 0 HA ARG A 73 -5.706 9.025 4.430 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.450 11.856 5.076 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.855 11.135 5.169 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.931 9.964 2.855 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.567 11.595 2.794 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.599 10.938 3.238 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.282 11.388 1.689 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.603 13.292 3.716 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.194 13.318 0.860 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -5.467 14.458 1.309 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.752 14.292 4.727 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -5.780 15.005 3.480 1.00 0.00 H new ATOM 1182 N TYR A 74 -4.052 7.821 5.777 1.00 0.00 N ATOM 1183 CA TYR A 74 -3.122 7.051 6.643 1.00 0.00 C ATOM 1184 C TYR A 74 -1.736 6.965 6.000 1.00 0.00 C ATOM 1185 O TYR A 74 -1.601 6.753 4.811 1.00 0.00 O ATOM 1186 CB TYR A 74 -3.759 5.666 6.761 1.00 0.00 C ATOM 1187 CG TYR A 74 -5.257 5.809 6.940 1.00 0.00 C ATOM 1188 CD1 TYR A 74 -5.789 6.946 7.567 1.00 0.00 C ATOM 1189 CD2 TYR A 74 -6.116 4.806 6.472 1.00 0.00 C ATOM 1190 CE1 TYR A 74 -7.174 7.080 7.725 1.00 0.00 C ATOM 1191 CE2 TYR A 74 -7.501 4.940 6.629 1.00 0.00 C ATOM 1192 CZ TYR A 74 -8.031 6.077 7.255 1.00 0.00 C ATOM 1193 OH TYR A 74 -9.396 6.207 7.409 1.00 0.00 O ATOM 0 H TYR A 74 -4.285 7.379 4.888 1.00 0.00 H new ATOM 0 HA TYR A 74 -2.978 7.518 7.617 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -3.544 5.078 5.869 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -3.331 5.129 7.607 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.128 7.720 7.929 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.710 3.929 5.990 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.581 7.956 8.209 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.162 4.166 6.267 1.00 0.00 H new ATOM 0 HH TYR A 74 -9.844 5.424 7.027 1.00 0.00 H new ATOM 1203 N ILE A 75 -0.707 7.128 6.783 1.00 0.00 N ATOM 1204 CA ILE A 75 0.677 7.060 6.232 1.00 0.00 C ATOM 1205 C ILE A 75 1.518 6.081 7.054 1.00 0.00 C ATOM 1206 O ILE A 75 1.313 5.918 8.241 1.00 0.00 O ATOM 1207 CB ILE A 75 1.228 8.481 6.355 1.00 0.00 C ATOM 1208 CG1 ILE A 75 2.683 8.505 5.881 1.00 0.00 C ATOM 1209 CG2 ILE A 75 1.162 8.933 7.816 1.00 0.00 C ATOM 1210 CD1 ILE A 75 3.338 9.822 6.303 1.00 0.00 C ATOM 0 H ILE A 75 -0.764 7.306 7.786 1.00 0.00 H new ATOM 0 HA ILE A 75 0.696 6.710 5.200 1.00 0.00 H new ATOM 0 HB ILE A 75 0.632 9.155 5.740 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.229 7.663 6.307 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.725 8.397 4.797 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.555 9.946 7.902 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.126 8.916 8.156 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.757 8.259 8.432 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.374 9.838 5.965 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.798 10.657 5.856 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.309 9.911 7.389 1.00 0.00 H new ATOM 1222 N VAL A 76 2.463 5.427 6.437 1.00 0.00 N ATOM 1223 CA VAL A 76 3.311 4.462 7.189 1.00 0.00 C ATOM 1224 C VAL A 76 4.750 4.973 7.241 1.00 0.00 C ATOM 1225 O VAL A 76 5.324 5.349 6.238 1.00 0.00 O ATOM 1226 CB VAL A 76 3.230 3.158 6.394 1.00 0.00 C ATOM 1227 CG1 VAL A 76 4.198 2.135 6.992 1.00 0.00 C ATOM 1228 CG2 VAL A 76 1.805 2.608 6.461 1.00 0.00 C ATOM 0 H VAL A 76 2.684 5.519 5.446 1.00 0.00 H new ATOM 0 HA VAL A 76 2.979 4.327 8.219 1.00 0.00 H new ATOM 0 HB VAL A 76 3.498 3.349 5.355 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.141 1.205 6.426 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.215 2.526 6.946 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.929 1.944 8.031 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.747 1.679 5.895 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.537 2.417 7.500 1.00 0.00 H new ATOM 0 HG23 VAL A 76 1.114 3.336 6.036 1.00 0.00 H new ATOM 1238 N ASN A 77 5.333 5.001 8.406 1.00 0.00 N ATOM 1239 CA ASN A 77 6.731 5.502 8.525 1.00 0.00 C ATOM 1240 C ASN A 77 7.634 4.824 7.490 1.00 0.00 C ATOM 1241 O ASN A 77 7.434 3.683 7.125 1.00 0.00 O ATOM 1242 CB ASN A 77 7.162 5.131 9.944 1.00 0.00 C ATOM 1243 CG ASN A 77 6.384 5.979 10.953 1.00 0.00 C ATOM 1244 OD1 ASN A 77 6.702 7.132 11.169 1.00 0.00 O ATOM 1245 ND2 ASN A 77 5.369 5.453 11.583 1.00 0.00 N ATOM 0 H ASN A 77 4.903 4.699 9.280 1.00 0.00 H new ATOM 0 HA ASN A 77 6.801 6.575 8.344 1.00 0.00 H new ATOM 0 HB2 ASN A 77 6.979 4.072 10.126 1.00 0.00 H new ATOM 0 HB3 ASN A 77 8.233 5.295 10.065 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.843 6.010 12.257 1.00 0.00 H new ATOM 0 HD22 ASN A 77 5.102 4.485 11.402 1.00 0.00 H new ATOM 1252 N GLY A 78 8.628 5.523 7.012 1.00 0.00 N ATOM 1253 CA GLY A 78 9.547 4.923 6.004 1.00 0.00 C ATOM 1254 C GLY A 78 8.995 5.156 4.597 1.00 0.00 C ATOM 1255 O GLY A 78 7.800 5.213 4.391 1.00 0.00 O ATOM 0 H GLY A 78 8.843 6.484 7.277 1.00 0.00 H new ATOM 0 HA2 GLY A 78 10.539 5.366 6.093 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.657 3.855 6.189 1.00 0.00 H new ATOM 1259 N SER A 79 9.858 5.287 3.626 1.00 0.00 N ATOM 1260 CA SER A 79 9.379 5.511 2.233 1.00 0.00 C ATOM 1261 C SER A 79 9.569 4.244 1.398 1.00 0.00 C ATOM 1262 O SER A 79 10.663 3.733 1.264 1.00 0.00 O ATOM 1263 CB SER A 79 10.242 6.642 1.685 1.00 0.00 C ATOM 1264 OG SER A 79 11.612 6.276 1.777 1.00 0.00 O ATOM 0 H SER A 79 10.871 5.249 3.737 1.00 0.00 H new ATOM 0 HA SER A 79 8.318 5.759 2.202 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.977 6.846 0.648 1.00 0.00 H new ATOM 0 HB3 SER A 79 10.060 7.558 2.247 1.00 0.00 H new ATOM 0 HG SER A 79 11.705 5.313 1.618 1.00 0.00 H new ATOM 1270 N HIS A 80 8.511 3.738 0.834 1.00 0.00 N ATOM 1271 CA HIS A 80 8.622 2.505 0.003 1.00 0.00 C ATOM 1272 C HIS A 80 7.689 2.604 -1.207 1.00 0.00 C ATOM 1273 O HIS A 80 6.614 3.163 -1.127 1.00 0.00 O ATOM 1274 CB HIS A 80 8.190 1.351 0.916 1.00 0.00 C ATOM 1275 CG HIS A 80 8.273 1.773 2.358 1.00 0.00 C ATOM 1276 ND1 HIS A 80 7.229 2.421 2.999 1.00 0.00 N ATOM 1277 CD2 HIS A 80 9.267 1.645 3.297 1.00 0.00 C ATOM 1278 CE1 HIS A 80 7.614 2.656 4.266 1.00 0.00 C ATOM 1279 NE2 HIS A 80 8.850 2.203 4.502 1.00 0.00 N ATOM 0 H HIS A 80 7.570 4.125 0.912 1.00 0.00 H new ATOM 0 HA HIS A 80 9.633 2.359 -0.377 1.00 0.00 H new ATOM 0 HB2 HIS A 80 7.171 1.049 0.676 1.00 0.00 H new ATOM 0 HB3 HIS A 80 8.828 0.484 0.746 1.00 0.00 H new ATOM 0 HD1 HIS A 80 6.332 2.674 2.585 1.00 0.00 H new ATOM 0 HD2 HIS A 80 10.227 1.181 3.126 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.999 3.151 5.004 1.00 0.00 H new ATOM 1287 N GLU A 81 8.085 2.062 -2.325 1.00 0.00 N ATOM 1288 CA GLU A 81 7.211 2.125 -3.531 1.00 0.00 C ATOM 1289 C GLU A 81 6.152 1.021 -3.462 1.00 0.00 C ATOM 1290 O GLU A 81 6.340 0.008 -2.817 1.00 0.00 O ATOM 1291 CB GLU A 81 8.150 1.905 -4.719 1.00 0.00 C ATOM 1292 CG GLU A 81 7.387 1.248 -5.872 1.00 0.00 C ATOM 1293 CD GLU A 81 8.097 1.549 -7.192 1.00 0.00 C ATOM 1294 OE1 GLU A 81 7.828 2.593 -7.763 1.00 0.00 O ATOM 1295 OE2 GLU A 81 8.900 0.731 -7.610 1.00 0.00 O ATOM 0 H GLU A 81 8.974 1.579 -2.456 1.00 0.00 H new ATOM 0 HA GLU A 81 6.680 3.073 -3.612 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.568 2.858 -5.044 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.987 1.275 -4.420 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.328 0.171 -5.716 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.364 1.622 -5.904 1.00 0.00 H new ATOM 1302 N ALA A 82 5.043 1.207 -4.120 1.00 0.00 N ATOM 1303 CA ALA A 82 3.979 0.165 -4.090 1.00 0.00 C ATOM 1304 C ALA A 82 4.567 -1.196 -4.471 1.00 0.00 C ATOM 1305 O ALA A 82 4.288 -2.201 -3.847 1.00 0.00 O ATOM 1306 CB ALA A 82 2.954 0.619 -5.127 1.00 0.00 C ATOM 0 H ALA A 82 4.827 2.034 -4.677 1.00 0.00 H new ATOM 0 HA ALA A 82 3.534 0.053 -3.102 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.134 -0.098 -5.167 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.566 1.599 -4.850 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.430 0.681 -6.106 1.00 0.00 H new ATOM 1312 N ASN A 83 5.385 -1.235 -5.486 1.00 0.00 N ATOM 1313 CA ASN A 83 5.998 -2.530 -5.899 1.00 0.00 C ATOM 1314 C ASN A 83 6.913 -3.047 -4.789 1.00 0.00 C ATOM 1315 O ASN A 83 7.041 -4.236 -4.575 1.00 0.00 O ATOM 1316 CB ASN A 83 6.805 -2.205 -7.157 1.00 0.00 C ATOM 1317 CG ASN A 83 7.158 -3.503 -7.887 1.00 0.00 C ATOM 1318 OD1 ASN A 83 6.439 -3.934 -8.767 1.00 0.00 O ATOM 1319 ND2 ASN A 83 8.243 -4.148 -7.557 1.00 0.00 N ATOM 0 H ASN A 83 5.656 -0.427 -6.047 1.00 0.00 H new ATOM 0 HA ASN A 83 5.253 -3.303 -6.087 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.229 -1.552 -7.813 1.00 0.00 H new ATOM 0 HB3 ASN A 83 7.714 -1.667 -6.890 1.00 0.00 H new ATOM 0 HD21 ASN A 83 8.488 -5.014 -8.038 1.00 0.00 H new ATOM 0 HD22 ASN A 83 8.847 -3.786 -6.819 1.00 0.00 H new ATOM 1326 N LYS A 84 7.547 -2.156 -4.081 1.00 0.00 N ATOM 1327 CA LYS A 84 8.455 -2.579 -2.977 1.00 0.00 C ATOM 1328 C LYS A 84 7.653 -3.274 -1.874 1.00 0.00 C ATOM 1329 O LYS A 84 8.109 -4.222 -1.265 1.00 0.00 O ATOM 1330 CB LYS A 84 9.076 -1.283 -2.455 1.00 0.00 C ATOM 1331 CG LYS A 84 10.599 -1.421 -2.430 1.00 0.00 C ATOM 1332 CD LYS A 84 11.190 -0.807 -3.700 1.00 0.00 C ATOM 1333 CE LYS A 84 11.874 0.518 -3.358 1.00 0.00 C ATOM 1334 NZ LYS A 84 13.332 0.214 -3.375 1.00 0.00 N ATOM 0 H LYS A 84 7.476 -1.148 -4.219 1.00 0.00 H new ATOM 0 HA LYS A 84 9.214 -3.286 -3.313 1.00 0.00 H new ATOM 0 HB2 LYS A 84 8.786 -0.447 -3.091 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.703 -1.066 -1.454 1.00 0.00 H new ATOM 0 HG2 LYS A 84 11.005 -0.923 -1.550 1.00 0.00 H new ATOM 0 HG3 LYS A 84 10.878 -2.472 -2.358 1.00 0.00 H new ATOM 0 HD2 LYS A 84 11.908 -1.494 -4.148 1.00 0.00 H new ATOM 0 HD3 LYS A 84 10.404 -0.643 -4.437 1.00 0.00 H new ATOM 0 HE2 LYS A 84 11.623 1.291 -4.085 1.00 0.00 H new ATOM 0 HE3 LYS A 84 11.558 0.885 -2.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 13.869 1.076 -3.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 13.542 -0.520 -2.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 13.605 -0.126 -4.319 1.00 0.00 H new ATOM 1348 N LEU A 85 6.461 -2.810 -1.611 1.00 0.00 N ATOM 1349 CA LEU A 85 5.631 -3.441 -0.546 1.00 0.00 C ATOM 1350 C LEU A 85 5.377 -4.914 -0.880 1.00 0.00 C ATOM 1351 O LEU A 85 5.446 -5.775 -0.027 1.00 0.00 O ATOM 1352 CB LEU A 85 4.316 -2.656 -0.557 1.00 0.00 C ATOM 1353 CG LEU A 85 4.367 -1.544 0.493 1.00 0.00 C ATOM 1354 CD1 LEU A 85 5.718 -0.831 0.419 1.00 0.00 C ATOM 1355 CD2 LEU A 85 3.246 -0.537 0.221 1.00 0.00 C ATOM 0 H LEU A 85 6.026 -2.020 -2.088 1.00 0.00 H new ATOM 0 HA LEU A 85 6.116 -3.414 0.430 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.146 -2.228 -1.545 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.481 -3.325 -0.351 1.00 0.00 H new ATOM 0 HG LEU A 85 4.239 -1.976 1.485 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.753 -0.039 1.167 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.518 -1.546 0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.847 -0.398 -0.573 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.280 0.256 0.968 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.377 -0.107 -0.772 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.282 -1.043 0.273 1.00 0.00 H new ATOM 1367 N GLN A 86 5.081 -5.208 -2.114 1.00 0.00 N ATOM 1368 CA GLN A 86 4.824 -6.625 -2.504 1.00 0.00 C ATOM 1369 C GLN A 86 6.118 -7.444 -2.438 1.00 0.00 C ATOM 1370 O GLN A 86 6.110 -8.609 -2.094 1.00 0.00 O ATOM 1371 CB GLN A 86 4.312 -6.551 -3.944 1.00 0.00 C ATOM 1372 CG GLN A 86 2.870 -6.039 -3.947 1.00 0.00 C ATOM 1373 CD GLN A 86 2.125 -6.624 -5.148 1.00 0.00 C ATOM 1374 OE1 GLN A 86 1.956 -7.823 -5.249 1.00 0.00 O ATOM 1375 NE2 GLN A 86 1.667 -5.822 -6.070 1.00 0.00 N ATOM 0 H GLN A 86 5.005 -4.529 -2.872 1.00 0.00 H new ATOM 0 HA GLN A 86 4.111 -7.110 -1.838 1.00 0.00 H new ATOM 0 HB2 GLN A 86 4.946 -5.888 -4.533 1.00 0.00 H new ATOM 0 HB3 GLN A 86 4.361 -7.535 -4.410 1.00 0.00 H new ATOM 0 HG2 GLN A 86 2.370 -6.323 -3.021 1.00 0.00 H new ATOM 0 HG3 GLN A 86 2.859 -4.950 -3.994 1.00 0.00 H new ATOM 0 HE21 GLN A 86 1.808 -4.815 -5.986 1.00 0.00 H new ATOM 0 HE22 GLN A 86 1.168 -6.202 -6.874 1.00 0.00 H new ATOM 1384 N ASP A 87 7.228 -6.848 -2.784 1.00 0.00 N ATOM 1385 CA ASP A 87 8.521 -7.593 -2.767 1.00 0.00 C ATOM 1386 C ASP A 87 8.841 -8.131 -1.366 1.00 0.00 C ATOM 1387 O ASP A 87 9.221 -9.274 -1.210 1.00 0.00 O ATOM 1388 CB ASP A 87 9.570 -6.567 -3.194 1.00 0.00 C ATOM 1389 CG ASP A 87 10.104 -6.927 -4.580 1.00 0.00 C ATOM 1390 OD1 ASP A 87 9.294 -7.140 -5.469 1.00 0.00 O ATOM 1391 OD2 ASP A 87 11.313 -6.983 -4.732 1.00 0.00 O ATOM 0 H ASP A 87 7.295 -5.874 -3.079 1.00 0.00 H new ATOM 0 HA ASP A 87 8.491 -8.461 -3.426 1.00 0.00 H new ATOM 0 HB2 ASP A 87 9.132 -5.569 -3.210 1.00 0.00 H new ATOM 0 HB3 ASP A 87 10.387 -6.545 -2.473 1.00 0.00 H new