USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=11 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 39 MET CE :methyl 153:sc= -1.64 (180deg=-3.44!) USER MOD Set 1.2: A 54 THR OG1 : rot 63:sc= 0.511 USER MOD Set 2.1: A 34 THR OG1 : rot 172:sc= -2.19! USER MOD Set 2.2: A 80 HIS : no HD1:sc= -8.45! C(o=-11!,f=-21!) USER MOD Single : A 24 LYS NZ :NH3+ -126:sc= -0.0576 (180deg=-0.493) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -3.45! C(o=-3.5!,f=-5.1!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= 0.111 K(o=0.11,f=-1.5!) USER MOD Single : A 51 THR OG1 : rot 73:sc= 0.129 USER MOD Single : A 52 TYR OH : 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= -0.211 X(o=-0.21,f=-0.038) USER MOD Single : A 65 THR OG1 : rot 127:sc= 0.087 USER MOD Single : A 66 GLN : amide:sc= -0.0226 X(o=-0.023,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.21 X(o=-0.21,f=-0.064) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.529 K(o=-0.53,f=-0.016) USER MOD Single : A 79 SER OG : rot 38:sc= -0.978! USER MOD Single : A 83 ASN : amide:sc= -0.586! C(o=-0.59!,f=-7.9!) 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) USER MOD ----------------------------------------------------------------- ATOM 353 N LEU A 21 -1.861 -1.311 -5.651 1.00 0.00 N ATOM 354 CA LEU A 21 -1.452 -0.546 -4.438 1.00 0.00 C ATOM 355 C LEU A 21 -0.556 0.632 -4.832 1.00 0.00 C ATOM 356 O LEU A 21 0.462 0.462 -5.474 1.00 0.00 O ATOM 357 CB LEU A 21 -0.676 -1.547 -3.581 1.00 0.00 C ATOM 358 CG LEU A 21 -0.953 -1.276 -2.102 1.00 0.00 C ATOM 359 CD1 LEU A 21 -2.153 -2.107 -1.646 1.00 0.00 C ATOM 360 CD2 LEU A 21 0.277 -1.663 -1.275 1.00 0.00 C ATOM 0 HA LEU A 21 -2.307 -0.130 -3.905 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.970 -2.565 -3.836 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.392 -1.464 -3.783 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.170 -0.217 -1.961 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.350 -1.913 -0.592 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.029 -1.835 -2.235 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.937 -3.166 -1.786 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.081 -1.470 -0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.492 -2.722 -1.417 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.134 -1.072 -1.599 1.00 0.00 H new ATOM 372 N ILE A 22 -0.927 1.824 -4.454 1.00 0.00 N ATOM 373 CA ILE A 22 -0.096 3.011 -4.809 1.00 0.00 C ATOM 374 C ILE A 22 0.583 3.575 -3.558 1.00 0.00 C ATOM 375 O ILE A 22 -0.055 3.832 -2.556 1.00 0.00 O ATOM 376 CB ILE A 22 -1.082 4.026 -5.387 1.00 0.00 C ATOM 377 CG1 ILE A 22 -1.556 3.549 -6.762 1.00 0.00 C ATOM 378 CG2 ILE A 22 -0.392 5.384 -5.530 1.00 0.00 C ATOM 379 CD1 ILE A 22 -2.919 4.170 -7.076 1.00 0.00 C ATOM 0 H ILE A 22 -1.769 2.028 -3.915 1.00 0.00 H new ATOM 0 HA ILE A 22 0.696 2.764 -5.516 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.938 4.122 -4.719 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.831 3.831 -7.526 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.628 2.461 -6.777 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.095 6.108 -5.942 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.053 5.724 -4.552 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.464 5.289 -6.198 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.257 3.830 -8.055 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.641 3.866 -6.318 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.832 5.257 -7.079 1.00 0.00 H new ATOM 391 N ALA A 23 1.872 3.767 -3.607 1.00 0.00 N ATOM 392 CA ALA A 23 2.591 4.314 -2.421 1.00 0.00 C ATOM 393 C ALA A 23 3.206 5.676 -2.757 1.00 0.00 C ATOM 394 O ALA A 23 3.744 5.877 -3.828 1.00 0.00 O ATOM 395 CB ALA A 23 3.686 3.292 -2.115 1.00 0.00 C ATOM 0 H ALA A 23 2.459 3.569 -4.417 1.00 0.00 H new ATOM 0 HA ALA A 23 1.927 4.467 -1.570 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.262 3.624 -1.251 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.231 2.325 -1.899 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.347 3.197 -2.977 1.00 0.00 H new ATOM 401 N LYS A 24 3.130 6.612 -1.852 1.00 0.00 N ATOM 402 CA LYS A 24 3.709 7.959 -2.122 1.00 0.00 C ATOM 403 C LYS A 24 4.706 8.337 -1.023 1.00 0.00 C ATOM 404 O LYS A 24 4.462 8.129 0.149 1.00 0.00 O ATOM 405 CB LYS A 24 2.515 8.913 -2.112 1.00 0.00 C ATOM 406 CG LYS A 24 1.780 8.827 -3.451 1.00 0.00 C ATOM 407 CD LYS A 24 0.654 9.863 -3.485 1.00 0.00 C ATOM 408 CE LYS A 24 1.211 11.206 -3.962 1.00 0.00 C ATOM 409 NZ LYS A 24 1.377 11.051 -5.434 1.00 0.00 N ATOM 0 H LYS A 24 2.692 6.503 -0.937 1.00 0.00 H new ATOM 0 HA LYS A 24 4.250 7.993 -3.067 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.838 8.657 -1.297 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.854 9.934 -1.936 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.476 9.004 -4.271 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.371 7.826 -3.590 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.141 9.530 -4.152 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.215 9.971 -2.493 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.529 12.023 -3.725 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.161 11.434 -3.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.354 11.287 -5.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.173 10.068 -5.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.720 11.689 -5.927 1.00 0.00 H new ATOM 423 N VAL A 25 5.829 8.890 -1.392 1.00 0.00 N ATOM 424 CA VAL A 25 6.841 9.280 -0.369 1.00 0.00 C ATOM 425 C VAL A 25 6.692 10.765 -0.020 1.00 0.00 C ATOM 426 O VAL A 25 6.569 11.607 -0.887 1.00 0.00 O ATOM 427 CB VAL A 25 8.195 9.018 -1.029 1.00 0.00 C ATOM 428 CG1 VAL A 25 9.316 9.388 -0.057 1.00 0.00 C ATOM 429 CG2 VAL A 25 8.304 7.536 -1.393 1.00 0.00 C ATOM 0 H VAL A 25 6.090 9.089 -2.358 1.00 0.00 H new ATOM 0 HA VAL A 25 6.727 8.721 0.560 1.00 0.00 H new ATOM 0 HB VAL A 25 8.283 9.622 -1.932 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.282 9.201 -0.527 1.00 0.00 H new ATOM 0 HG12 VAL A 25 9.238 10.443 0.204 1.00 0.00 H new ATOM 0 HG13 VAL A 25 9.229 8.783 0.846 1.00 0.00 H new ATOM 0 HG21 VAL A 25 9.269 7.347 -1.864 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.216 6.932 -0.490 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.505 7.272 -2.085 1.00 0.00 H new ATOM 439 N GLU A 26 6.702 11.090 1.244 1.00 0.00 N ATOM 440 CA GLU A 26 6.562 12.520 1.646 1.00 0.00 C ATOM 441 C GLU A 26 7.754 12.947 2.507 1.00 0.00 C ATOM 442 O GLU A 26 8.531 12.129 2.959 1.00 0.00 O ATOM 443 CB GLU A 26 5.266 12.576 2.457 1.00 0.00 C ATOM 444 CG GLU A 26 4.121 13.045 1.558 1.00 0.00 C ATOM 445 CD GLU A 26 2.832 13.132 2.376 1.00 0.00 C ATOM 446 OE1 GLU A 26 2.400 12.106 2.876 1.00 0.00 O ATOM 447 OE2 GLU A 26 2.298 14.223 2.490 1.00 0.00 O ATOM 0 H GLU A 26 6.801 10.429 2.015 1.00 0.00 H new ATOM 0 HA GLU A 26 6.536 13.191 0.787 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.040 11.593 2.869 1.00 0.00 H new ATOM 0 HB3 GLU A 26 5.382 13.256 3.301 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.358 14.018 1.128 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.990 12.352 0.727 1.00 0.00 H new ATOM 511 N ILE A 32 11.112 11.362 6.231 1.00 0.00 N ATOM 512 CA ILE A 32 10.746 10.490 5.077 1.00 0.00 C ATOM 513 C ILE A 32 9.711 9.449 5.519 1.00 0.00 C ATOM 514 O ILE A 32 10.024 8.491 6.198 1.00 0.00 O ATOM 515 CB ILE A 32 12.062 9.826 4.643 1.00 0.00 C ATOM 516 CG1 ILE A 32 12.483 10.386 3.281 1.00 0.00 C ATOM 517 CG2 ILE A 32 11.883 8.309 4.530 1.00 0.00 C ATOM 518 CD1 ILE A 32 11.602 9.784 2.184 1.00 0.00 C ATOM 0 HA ILE A 32 10.296 11.046 4.255 1.00 0.00 H new ATOM 0 HB ILE A 32 12.828 10.037 5.389 1.00 0.00 H new ATOM 0 HG12 ILE A 32 12.392 11.472 3.279 1.00 0.00 H new ATOM 0 HG13 ILE A 32 13.530 10.153 3.089 1.00 0.00 H new ATOM 0 HG21 ILE A 32 12.824 7.854 4.222 1.00 0.00 H new ATOM 0 HG22 ILE A 32 11.584 7.905 5.497 1.00 0.00 H new ATOM 0 HG23 ILE A 32 11.113 8.088 3.791 1.00 0.00 H new ATOM 0 HD11 ILE A 32 11.903 10.184 1.216 1.00 0.00 H new ATOM 0 HD12 ILE A 32 11.715 8.700 2.180 1.00 0.00 H new ATOM 0 HD13 ILE A 32 10.559 10.039 2.374 1.00 0.00 H new ATOM 530 N LYS A 33 8.477 9.634 5.140 1.00 0.00 N ATOM 531 CA LYS A 33 7.418 8.660 5.535 1.00 0.00 C ATOM 532 C LYS A 33 6.634 8.209 4.300 1.00 0.00 C ATOM 533 O LYS A 33 6.534 8.925 3.323 1.00 0.00 O ATOM 534 CB LYS A 33 6.510 9.429 6.495 1.00 0.00 C ATOM 535 CG LYS A 33 5.936 10.656 5.785 1.00 0.00 C ATOM 536 CD LYS A 33 4.846 11.287 6.654 1.00 0.00 C ATOM 537 CE LYS A 33 3.871 12.063 5.767 1.00 0.00 C ATOM 538 NZ LYS A 33 2.991 12.801 6.716 1.00 0.00 N ATOM 0 H LYS A 33 8.155 10.418 4.573 1.00 0.00 H new ATOM 0 HA LYS A 33 7.831 7.763 5.997 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.702 8.785 6.841 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.073 9.736 7.376 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.727 11.381 5.592 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.524 10.369 4.817 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.314 10.513 7.207 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.294 11.954 7.390 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.400 12.748 5.105 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.292 11.390 5.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.294 13.358 6.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.496 12.123 7.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.568 13.438 7.301 1.00 0.00 H new ATOM 552 N THR A 34 6.081 7.027 4.331 1.00 0.00 N ATOM 553 CA THR A 34 5.310 6.538 3.152 1.00 0.00 C ATOM 554 C THR A 34 3.812 6.781 3.359 1.00 0.00 C ATOM 555 O THR A 34 3.248 6.413 4.367 1.00 0.00 O ATOM 556 CB THR A 34 5.616 5.039 3.073 1.00 0.00 C ATOM 557 OG1 THR A 34 6.697 4.831 2.177 1.00 0.00 O ATOM 558 CG2 THR A 34 4.387 4.278 2.571 1.00 0.00 C ATOM 0 H THR A 34 6.129 6.381 5.119 1.00 0.00 H new ATOM 0 HA THR A 34 5.585 7.055 2.233 1.00 0.00 H new ATOM 0 HB THR A 34 5.880 4.673 4.065 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.985 3.895 2.223 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.615 3.213 2.518 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.555 4.438 3.257 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.115 4.640 1.580 1.00 0.00 H new ATOM 566 N VAL A 35 3.167 7.396 2.406 1.00 0.00 N ATOM 567 CA VAL A 35 1.706 7.657 2.546 1.00 0.00 C ATOM 568 C VAL A 35 0.934 6.903 1.459 1.00 0.00 C ATOM 569 O VAL A 35 1.112 7.140 0.281 1.00 0.00 O ATOM 570 CB VAL A 35 1.554 9.167 2.362 1.00 0.00 C ATOM 571 CG1 VAL A 35 2.398 9.625 1.170 1.00 0.00 C ATOM 572 CG2 VAL A 35 0.083 9.503 2.102 1.00 0.00 C ATOM 0 H VAL A 35 3.587 7.729 1.538 1.00 0.00 H new ATOM 0 HA VAL A 35 1.314 7.324 3.507 1.00 0.00 H new ATOM 0 HB VAL A 35 1.891 9.678 3.264 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.289 10.702 1.039 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.446 9.386 1.353 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.061 9.114 0.268 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.027 10.579 1.971 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.253 8.991 1.200 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.520 9.178 2.950 1.00 0.00 H new ATOM 582 N ILE A 36 0.080 5.995 1.845 1.00 0.00 N ATOM 583 CA ILE A 36 -0.699 5.229 0.831 1.00 0.00 C ATOM 584 C ILE A 36 -2.070 5.876 0.616 1.00 0.00 C ATOM 585 O ILE A 36 -2.925 5.843 1.479 1.00 0.00 O ATOM 586 CB ILE A 36 -0.853 3.826 1.421 1.00 0.00 C ATOM 587 CG1 ILE A 36 0.472 3.386 2.047 1.00 0.00 C ATOM 588 CG2 ILE A 36 -1.239 2.848 0.311 1.00 0.00 C ATOM 589 CD1 ILE A 36 0.399 1.900 2.403 1.00 0.00 C ATOM 0 H ILE A 36 -0.112 5.751 2.817 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.203 5.209 -0.139 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.630 3.837 2.185 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.292 3.564 1.352 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.678 3.975 2.941 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.349 1.848 0.730 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.183 3.160 -0.137 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.461 2.838 -0.452 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.343 1.586 2.849 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.411 1.736 3.114 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.213 1.318 1.500 1.00 0.00 H new ATOM 601 N VAL A 37 -2.284 6.467 -0.528 1.00 0.00 N ATOM 602 CA VAL A 37 -3.599 7.116 -0.798 1.00 0.00 C ATOM 603 C VAL A 37 -4.547 6.127 -1.481 1.00 0.00 C ATOM 604 O VAL A 37 -5.683 6.443 -1.774 1.00 0.00 O ATOM 605 CB VAL A 37 -3.279 8.282 -1.733 1.00 0.00 C ATOM 606 CG1 VAL A 37 -2.232 9.188 -1.082 1.00 0.00 C ATOM 607 CG2 VAL A 37 -2.731 7.736 -3.053 1.00 0.00 C ATOM 0 H VAL A 37 -1.606 6.529 -1.287 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.091 7.448 0.116 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.186 8.856 -1.923 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.004 10.019 -1.750 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.621 9.575 -0.140 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.324 8.616 -0.892 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.502 8.565 -3.722 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.824 7.163 -2.861 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.477 7.090 -3.517 1.00 0.00 H new ATOM 617 N ASN A 38 -4.088 4.933 -1.742 1.00 0.00 N ATOM 618 CA ASN A 38 -4.965 3.929 -2.408 1.00 0.00 C ATOM 619 C ASN A 38 -5.203 2.732 -1.485 1.00 0.00 C ATOM 620 O ASN A 38 -5.912 1.805 -1.825 1.00 0.00 O ATOM 621 CB ASN A 38 -4.192 3.498 -3.656 1.00 0.00 C ATOM 622 CG ASN A 38 -5.172 2.979 -4.710 1.00 0.00 C ATOM 623 OD1 ASN A 38 -6.330 3.348 -4.715 1.00 0.00 O ATOM 624 ND2 ASN A 38 -4.753 2.133 -5.611 1.00 0.00 N ATOM 0 H ASN A 38 -3.145 4.610 -1.523 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.946 4.337 -2.653 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -3.625 4.340 -4.054 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -3.472 2.721 -3.400 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.397 1.782 -6.319 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -3.781 1.823 -5.607 1.00 0.00 H new ATOM 631 N MET A 39 -4.619 2.741 -0.317 1.00 0.00 N ATOM 632 CA MET A 39 -4.818 1.600 0.622 1.00 0.00 C ATOM 633 C MET A 39 -6.287 1.516 1.047 1.00 0.00 C ATOM 634 O MET A 39 -6.880 0.456 1.060 1.00 0.00 O ATOM 635 CB MET A 39 -3.930 1.915 1.827 1.00 0.00 C ATOM 636 CG MET A 39 -4.281 0.973 2.979 1.00 0.00 C ATOM 637 SD MET A 39 -3.352 1.455 4.457 1.00 0.00 S ATOM 638 CE MET A 39 -2.013 0.249 4.286 1.00 0.00 C ATOM 0 H MET A 39 -4.014 3.487 0.027 1.00 0.00 H new ATOM 0 HA MET A 39 -4.562 0.643 0.167 1.00 0.00 H new ATOM 0 HB2 MET A 39 -2.880 1.802 1.558 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.070 2.951 2.135 1.00 0.00 H new ATOM 0 HG2 MET A 39 -5.351 1.011 3.181 1.00 0.00 H new ATOM 0 HG3 MET A 39 -4.044 -0.056 2.707 1.00 0.00 H new ATOM 0 HE1 MET A 39 -1.112 0.636 4.762 1.00 0.00 H new ATOM 0 HE2 MET A 39 -2.303 -0.687 4.764 1.00 0.00 H new ATOM 0 HE3 MET A 39 -1.817 0.071 3.229 1.00 0.00 H new ATOM 648 N VAL A 40 -6.877 2.627 1.391 1.00 0.00 N ATOM 649 CA VAL A 40 -8.308 2.612 1.812 1.00 0.00 C ATOM 650 C VAL A 40 -9.211 2.326 0.610 1.00 0.00 C ATOM 651 O VAL A 40 -10.167 1.582 0.701 1.00 0.00 O ATOM 652 CB VAL A 40 -8.574 4.013 2.362 1.00 0.00 C ATOM 653 CG1 VAL A 40 -10.079 4.212 2.545 1.00 0.00 C ATOM 654 CG2 VAL A 40 -7.873 4.169 3.713 1.00 0.00 C ATOM 0 H VAL A 40 -6.431 3.545 1.399 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.512 1.838 2.552 1.00 0.00 H new ATOM 0 HB VAL A 40 -8.191 4.757 1.663 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -10.269 5.211 2.937 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.581 4.098 1.584 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -10.462 3.469 3.244 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -8.061 5.168 4.107 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.258 3.425 4.411 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.800 4.026 3.585 1.00 0.00 H new ATOM 664 N ASP A 41 -8.916 2.914 -0.519 1.00 0.00 N ATOM 665 CA ASP A 41 -9.759 2.676 -1.725 1.00 0.00 C ATOM 666 C ASP A 41 -9.717 1.198 -2.117 1.00 0.00 C ATOM 667 O ASP A 41 -10.736 0.571 -2.325 1.00 0.00 O ATOM 668 CB ASP A 41 -9.135 3.540 -2.822 1.00 0.00 C ATOM 669 CG ASP A 41 -10.081 4.691 -3.166 1.00 0.00 C ATOM 670 OD1 ASP A 41 -11.113 4.426 -3.760 1.00 0.00 O ATOM 671 OD2 ASP A 41 -9.758 5.819 -2.831 1.00 0.00 O ATOM 0 H ASP A 41 -8.129 3.548 -0.657 1.00 0.00 H new ATOM 0 HA ASP A 41 -10.805 2.929 -1.553 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -8.174 3.932 -2.488 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -8.942 2.937 -3.709 1.00 0.00 H new ATOM 676 N VAL A 42 -8.544 0.635 -2.217 1.00 0.00 N ATOM 677 CA VAL A 42 -8.440 -0.804 -2.595 1.00 0.00 C ATOM 678 C VAL A 42 -8.986 -1.686 -1.469 1.00 0.00 C ATOM 679 O VAL A 42 -9.710 -2.632 -1.704 1.00 0.00 O ATOM 680 CB VAL A 42 -6.945 -1.057 -2.799 1.00 0.00 C ATOM 681 CG1 VAL A 42 -6.369 0.012 -3.731 1.00 0.00 C ATOM 682 CG2 VAL A 42 -6.227 -0.994 -1.449 1.00 0.00 C ATOM 0 H VAL A 42 -7.655 1.107 -2.054 1.00 0.00 H new ATOM 0 HA VAL A 42 -9.016 -1.038 -3.490 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.802 -2.043 -3.242 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.304 -0.168 -3.877 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.879 -0.031 -4.693 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.513 0.997 -3.288 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.162 -1.174 -1.595 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.371 -0.009 -1.006 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.636 -1.754 -0.784 1.00 0.00 H new ATOM 692 N ALA A 43 -8.646 -1.381 -0.246 1.00 0.00 N ATOM 693 CA ALA A 43 -9.147 -2.201 0.894 1.00 0.00 C ATOM 694 C ALA A 43 -10.658 -2.024 1.048 1.00 0.00 C ATOM 695 O ALA A 43 -11.391 -2.973 1.240 1.00 0.00 O ATOM 696 CB ALA A 43 -8.414 -1.664 2.123 1.00 0.00 C ATOM 0 H ALA A 43 -8.043 -0.600 0.013 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.966 -3.266 0.747 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.730 -2.219 3.006 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.339 -1.782 1.986 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.649 -0.608 2.254 1.00 0.00 H new ATOM 702 N LYS A 44 -11.124 -0.813 0.968 1.00 0.00 N ATOM 703 CA LYS A 44 -12.588 -0.562 1.110 1.00 0.00 C ATOM 704 C LYS A 44 -13.349 -1.151 -0.081 1.00 0.00 C ATOM 705 O LYS A 44 -14.448 -1.649 0.057 1.00 0.00 O ATOM 706 CB LYS A 44 -12.727 0.961 1.133 1.00 0.00 C ATOM 707 CG LYS A 44 -14.105 1.340 1.678 1.00 0.00 C ATOM 708 CD LYS A 44 -15.129 1.316 0.541 1.00 0.00 C ATOM 709 CE LYS A 44 -16.261 0.350 0.893 1.00 0.00 C ATOM 710 NZ LYS A 44 -17.482 1.200 0.969 1.00 0.00 N ATOM 0 H LYS A 44 -10.555 0.019 0.810 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.999 -1.025 2.007 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -11.946 1.399 1.754 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.598 1.364 0.128 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -14.401 0.644 2.463 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.069 2.332 2.128 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -15.529 2.317 0.376 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -14.649 1.008 -0.388 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -16.367 -0.427 0.136 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -16.070 -0.153 1.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -18.303 0.608 1.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.355 1.926 1.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -17.642 1.661 0.050 1.00 0.00 H new ATOM 724 N ALA A 45 -12.775 -1.091 -1.251 1.00 0.00 N ATOM 725 CA ALA A 45 -13.467 -1.638 -2.454 1.00 0.00 C ATOM 726 C ALA A 45 -13.545 -3.167 -2.389 1.00 0.00 C ATOM 727 O ALA A 45 -14.419 -3.775 -2.974 1.00 0.00 O ATOM 728 CB ALA A 45 -12.606 -1.197 -3.639 1.00 0.00 C ATOM 0 H ALA A 45 -11.855 -0.686 -1.427 1.00 0.00 H new ATOM 0 HA ALA A 45 -14.493 -1.278 -2.532 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -13.049 -1.561 -4.566 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -12.553 -0.109 -3.665 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.602 -1.607 -3.531 1.00 0.00 H new ATOM 734 N LEU A 46 -12.641 -3.796 -1.690 1.00 0.00 N ATOM 735 CA LEU A 46 -12.674 -5.285 -1.604 1.00 0.00 C ATOM 736 C LEU A 46 -12.894 -5.739 -0.157 1.00 0.00 C ATOM 737 O LEU A 46 -13.116 -6.903 0.110 1.00 0.00 O ATOM 738 CB LEU A 46 -11.302 -5.740 -2.104 1.00 0.00 C ATOM 739 CG LEU A 46 -10.247 -5.458 -1.034 1.00 0.00 C ATOM 740 CD1 LEU A 46 -10.039 -6.708 -0.178 1.00 0.00 C ATOM 741 CD2 LEU A 46 -8.927 -5.077 -1.709 1.00 0.00 C ATOM 0 H LEU A 46 -11.883 -3.346 -1.176 1.00 0.00 H new ATOM 0 HA LEU A 46 -13.488 -5.709 -2.192 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.323 -6.805 -2.337 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.048 -5.217 -3.026 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.583 -4.637 -0.401 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.287 -6.506 0.584 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.979 -6.980 0.303 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.703 -7.530 -0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.174 -4.876 -0.947 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.592 -5.898 -2.342 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.074 -4.185 -2.318 1.00 0.00 H new ATOM 753 N ASN A 47 -12.833 -4.831 0.777 1.00 0.00 N ATOM 754 CA ASN A 47 -13.039 -5.214 2.205 1.00 0.00 C ATOM 755 C ASN A 47 -12.808 -4.004 3.115 1.00 0.00 C ATOM 756 O ASN A 47 -13.161 -2.891 2.783 1.00 0.00 O ATOM 757 CB ASN A 47 -11.993 -6.297 2.480 1.00 0.00 C ATOM 758 CG ASN A 47 -12.622 -7.415 3.313 1.00 0.00 C ATOM 759 OD1 ASN A 47 -12.606 -7.367 4.527 1.00 0.00 O ATOM 760 ND2 ASN A 47 -13.180 -8.428 2.709 1.00 0.00 N ATOM 0 H ASN A 47 -12.650 -3.841 0.615 1.00 0.00 H new ATOM 0 HA ASN A 47 -14.052 -5.567 2.396 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -11.614 -6.699 1.540 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -11.142 -5.869 3.010 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -13.602 -9.178 3.256 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -13.194 -8.469 1.690 1.00 0.00 H new ATOM 767 N ARG A 48 -12.217 -4.214 4.260 1.00 0.00 N ATOM 768 CA ARG A 48 -11.963 -3.074 5.187 1.00 0.00 C ATOM 769 C ARG A 48 -10.498 -2.639 5.097 1.00 0.00 C ATOM 770 O ARG A 48 -9.690 -3.304 4.478 1.00 0.00 O ATOM 771 CB ARG A 48 -12.277 -3.619 6.581 1.00 0.00 C ATOM 772 CG ARG A 48 -13.515 -2.914 7.137 1.00 0.00 C ATOM 773 CD ARG A 48 -13.309 -2.617 8.625 1.00 0.00 C ATOM 774 NE ARG A 48 -13.210 -3.955 9.272 1.00 0.00 N ATOM 775 CZ ARG A 48 -14.119 -4.336 10.128 1.00 0.00 C ATOM 776 NH1 ARG A 48 -15.375 -4.363 9.776 1.00 0.00 N ATOM 777 NH2 ARG A 48 -13.772 -4.689 11.335 1.00 0.00 N ATOM 0 H ARG A 48 -11.899 -5.124 4.593 1.00 0.00 H new ATOM 0 HA ARG A 48 -12.570 -2.201 4.946 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -12.449 -4.694 6.533 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -11.427 -3.462 7.245 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -13.694 -1.987 6.592 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -14.396 -3.541 6.999 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -12.405 -2.031 8.789 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -14.141 -2.042 9.032 1.00 0.00 H new ATOM 0 HE ARG A 48 -12.431 -4.574 9.046 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -15.646 -4.087 8.832 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -16.086 -4.661 10.444 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -12.790 -4.667 11.610 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -14.483 -4.987 12.003 1.00 0.00 H new ATOM 791 N PRO A 49 -10.205 -1.531 5.721 1.00 0.00 N ATOM 792 CA PRO A 49 -8.822 -0.994 5.714 1.00 0.00 C ATOM 793 C PRO A 49 -7.914 -1.847 6.605 1.00 0.00 C ATOM 794 O PRO A 49 -8.233 -2.110 7.747 1.00 0.00 O ATOM 795 CB PRO A 49 -8.982 0.412 6.286 1.00 0.00 C ATOM 796 CG PRO A 49 -10.228 0.356 7.110 1.00 0.00 C ATOM 797 CD PRO A 49 -11.126 -0.682 6.485 1.00 0.00 C ATOM 0 HA PRO A 49 -8.365 -0.996 4.725 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -8.120 0.692 6.892 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -9.067 1.154 5.492 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.996 0.093 8.142 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -10.720 1.328 7.131 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -11.662 -1.254 7.242 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -11.876 -0.225 5.840 1.00 0.00 H new ATOM 805 N PRO A 50 -6.805 -2.253 6.046 1.00 0.00 N ATOM 806 CA PRO A 50 -5.833 -3.088 6.793 1.00 0.00 C ATOM 807 C PRO A 50 -5.064 -2.243 7.814 1.00 0.00 C ATOM 808 O PRO A 50 -3.854 -2.298 7.892 1.00 0.00 O ATOM 809 CB PRO A 50 -4.896 -3.604 5.705 1.00 0.00 C ATOM 810 CG PRO A 50 -4.989 -2.598 4.601 1.00 0.00 C ATOM 811 CD PRO A 50 -6.359 -1.975 4.675 1.00 0.00 C ATOM 0 HA PRO A 50 -6.308 -3.888 7.360 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -3.874 -3.691 6.074 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -5.197 -4.594 5.363 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -4.215 -1.838 4.708 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -4.836 -3.075 3.633 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -6.321 -0.904 4.478 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.035 -2.411 3.940 1.00 0.00 H new ATOM 819 N THR A 51 -5.757 -1.463 8.599 1.00 0.00 N ATOM 820 CA THR A 51 -5.061 -0.619 9.615 1.00 0.00 C ATOM 821 C THR A 51 -4.443 -1.499 10.706 1.00 0.00 C ATOM 822 O THR A 51 -3.507 -1.111 11.374 1.00 0.00 O ATOM 823 CB THR A 51 -6.153 0.277 10.203 1.00 0.00 C ATOM 824 OG1 THR A 51 -7.420 -0.126 9.700 1.00 0.00 O ATOM 825 CG2 THR A 51 -5.887 1.732 9.815 1.00 0.00 C ATOM 0 H THR A 51 -6.773 -1.373 8.582 1.00 0.00 H new ATOM 0 HA THR A 51 -4.248 -0.039 9.179 1.00 0.00 H new ATOM 0 HB THR A 51 -6.149 0.187 11.289 1.00 0.00 H new ATOM 0 HG1 THR A 51 -7.684 -0.972 10.118 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.666 2.369 10.235 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.917 2.041 10.204 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.888 1.825 8.729 1.00 0.00 H new ATOM 833 N TYR A 52 -4.966 -2.681 10.895 1.00 0.00 N ATOM 834 CA TYR A 52 -4.414 -3.583 11.947 1.00 0.00 C ATOM 835 C TYR A 52 -3.087 -4.201 11.493 1.00 0.00 C ATOM 836 O TYR A 52 -2.091 -4.103 12.183 1.00 0.00 O ATOM 837 CB TYR A 52 -5.474 -4.669 12.133 1.00 0.00 C ATOM 838 CG TYR A 52 -5.783 -4.826 13.603 1.00 0.00 C ATOM 839 CD1 TYR A 52 -4.738 -4.901 14.533 1.00 0.00 C ATOM 840 CD2 TYR A 52 -7.112 -4.896 14.036 1.00 0.00 C ATOM 841 CE1 TYR A 52 -5.024 -5.046 15.896 1.00 0.00 C ATOM 842 CE2 TYR A 52 -7.397 -5.042 15.399 1.00 0.00 C ATOM 843 CZ TYR A 52 -6.353 -5.117 16.329 1.00 0.00 C ATOM 844 OH TYR A 52 -6.635 -5.261 17.672 1.00 0.00 O ATOM 0 H TYR A 52 -5.751 -3.061 10.366 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.206 -3.047 12.873 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -6.380 -4.405 11.586 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -5.118 -5.614 11.723 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -3.712 -4.847 14.199 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -7.918 -4.837 13.319 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -4.219 -5.103 16.613 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -8.423 -5.097 15.733 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.606 -5.292 17.801 1.00 0.00 H new ATOM 854 N PRO A 53 -3.118 -4.826 10.346 1.00 0.00 N ATOM 855 CA PRO A 53 -1.900 -5.475 9.799 1.00 0.00 C ATOM 856 C PRO A 53 -0.886 -4.425 9.333 1.00 0.00 C ATOM 857 O PRO A 53 0.192 -4.751 8.878 1.00 0.00 O ATOM 858 CB PRO A 53 -2.426 -6.288 8.619 1.00 0.00 C ATOM 859 CG PRO A 53 -3.691 -5.602 8.212 1.00 0.00 C ATOM 860 CD PRO A 53 -4.275 -4.987 9.458 1.00 0.00 C ATOM 0 HA PRO A 53 -1.378 -6.087 10.534 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.706 -6.307 7.801 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -2.612 -7.323 8.904 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -3.492 -4.838 7.461 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -4.389 -6.311 7.767 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -4.752 -4.030 9.246 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -5.034 -5.630 9.903 1.00 0.00 H new ATOM 868 N THR A 54 -1.220 -3.168 9.442 1.00 0.00 N ATOM 869 CA THR A 54 -0.270 -2.106 9.004 1.00 0.00 C ATOM 870 C THR A 54 0.967 -2.100 9.907 1.00 0.00 C ATOM 871 O THR A 54 2.017 -1.614 9.535 1.00 0.00 O ATOM 872 CB THR A 54 -1.046 -0.796 9.149 1.00 0.00 C ATOM 873 OG1 THR A 54 -2.125 -0.782 8.226 1.00 0.00 O ATOM 874 CG2 THR A 54 -0.115 0.384 8.866 1.00 0.00 C ATOM 0 H THR A 54 -2.108 -2.831 9.815 1.00 0.00 H new ATOM 0 HA THR A 54 0.081 -2.260 7.984 1.00 0.00 H new ATOM 0 HB THR A 54 -1.435 -0.714 10.164 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.745 -1.512 8.436 1.00 0.00 H new ATOM 0 HG21 THR A 54 -0.669 1.317 8.969 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.713 0.373 9.575 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.275 0.304 7.851 1.00 0.00 H new ATOM 882 N LYS A 55 0.851 -2.635 11.092 1.00 0.00 N ATOM 883 CA LYS A 55 2.019 -2.659 12.019 1.00 0.00 C ATOM 884 C LYS A 55 3.057 -3.683 11.549 1.00 0.00 C ATOM 885 O LYS A 55 4.245 -3.431 11.572 1.00 0.00 O ATOM 886 CB LYS A 55 1.439 -3.068 13.374 1.00 0.00 C ATOM 887 CG LYS A 55 1.836 -2.035 14.431 1.00 0.00 C ATOM 888 CD LYS A 55 3.360 -1.979 14.544 1.00 0.00 C ATOM 889 CE LYS A 55 3.910 -3.389 14.766 1.00 0.00 C ATOM 890 NZ LYS A 55 5.051 -3.213 15.707 1.00 0.00 N ATOM 0 H LYS A 55 -0.002 -3.057 11.459 1.00 0.00 H new ATOM 0 HA LYS A 55 2.527 -1.696 12.064 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.353 -3.140 13.310 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.808 -4.054 13.657 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.445 -1.054 14.161 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.399 -2.298 15.394 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.786 -1.550 13.637 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.650 -1.330 15.371 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.150 -4.048 15.186 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.237 -3.837 13.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.481 -4.138 15.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.762 -2.587 15.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.708 -2.791 16.593 1.00 0.00 H new ATOM 904 N TYR A 56 2.619 -4.838 11.128 1.00 0.00 N ATOM 905 CA TYR A 56 3.584 -5.877 10.662 1.00 0.00 C ATOM 906 C TYR A 56 4.420 -5.341 9.496 1.00 0.00 C ATOM 907 O TYR A 56 5.633 -5.436 9.492 1.00 0.00 O ATOM 908 CB TYR A 56 2.715 -7.049 10.205 1.00 0.00 C ATOM 909 CG TYR A 56 3.052 -8.274 11.020 1.00 0.00 C ATOM 910 CD1 TYR A 56 3.107 -8.193 12.416 1.00 0.00 C ATOM 911 CD2 TYR A 56 3.308 -9.491 10.379 1.00 0.00 C ATOM 912 CE1 TYR A 56 3.420 -9.329 13.171 1.00 0.00 C ATOM 913 CE2 TYR A 56 3.621 -10.628 11.134 1.00 0.00 C ATOM 914 CZ TYR A 56 3.676 -10.547 12.530 1.00 0.00 C ATOM 915 OH TYR A 56 3.985 -11.666 13.275 1.00 0.00 O ATOM 0 H TYR A 56 1.636 -5.108 11.086 1.00 0.00 H new ATOM 0 HA TYR A 56 4.284 -6.169 11.445 1.00 0.00 H new ATOM 0 HB2 TYR A 56 1.660 -6.800 10.322 1.00 0.00 H new ATOM 0 HB3 TYR A 56 2.881 -7.247 9.146 1.00 0.00 H new ATOM 0 HD1 TYR A 56 2.908 -7.254 12.911 1.00 0.00 H new ATOM 0 HD2 TYR A 56 3.264 -9.553 9.302 1.00 0.00 H new ATOM 0 HE1 TYR A 56 3.464 -9.266 14.248 1.00 0.00 H new ATOM 0 HE2 TYR A 56 3.820 -11.567 10.639 1.00 0.00 H new ATOM 0 HH TYR A 56 4.133 -12.427 12.676 1.00 0.00 H new ATOM 925 N PHE A 57 3.783 -4.777 8.507 1.00 0.00 N ATOM 926 CA PHE A 57 4.547 -4.237 7.347 1.00 0.00 C ATOM 927 C PHE A 57 5.562 -3.199 7.829 1.00 0.00 C ATOM 928 O PHE A 57 6.701 -3.188 7.408 1.00 0.00 O ATOM 929 CB PHE A 57 3.496 -3.583 6.447 1.00 0.00 C ATOM 930 CG PHE A 57 2.334 -4.528 6.258 1.00 0.00 C ATOM 931 CD1 PHE A 57 2.541 -5.912 6.298 1.00 0.00 C ATOM 932 CD2 PHE A 57 1.047 -4.019 6.042 1.00 0.00 C ATOM 933 CE1 PHE A 57 1.463 -6.787 6.123 1.00 0.00 C ATOM 934 CE2 PHE A 57 -0.032 -4.895 5.867 1.00 0.00 C ATOM 935 CZ PHE A 57 0.176 -6.279 5.907 1.00 0.00 C ATOM 0 H PHE A 57 2.770 -4.667 8.452 1.00 0.00 H new ATOM 0 HA PHE A 57 5.105 -5.011 6.821 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.151 -2.650 6.892 1.00 0.00 H new ATOM 0 HB3 PHE A 57 3.935 -3.332 5.481 1.00 0.00 H new ATOM 0 HD1 PHE A 57 3.533 -6.305 6.464 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.887 -2.951 6.010 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.624 -7.855 6.155 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.024 -4.503 5.701 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.656 -6.954 5.771 1.00 0.00 H new ATOM 945 N GLY A 58 5.157 -2.329 8.713 1.00 0.00 N ATOM 946 CA GLY A 58 6.097 -1.293 9.225 1.00 0.00 C ATOM 947 C GLY A 58 7.296 -1.970 9.891 1.00 0.00 C ATOM 948 O GLY A 58 8.410 -1.491 9.820 1.00 0.00 O ATOM 0 H GLY A 58 4.215 -2.291 9.103 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.434 -0.657 8.406 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.588 -0.648 9.941 1.00 0.00 H new ATOM 952 N CYS A 59 7.080 -3.081 10.540 1.00 0.00 N ATOM 953 CA CYS A 59 8.213 -3.781 11.208 1.00 0.00 C ATOM 954 C CYS A 59 9.309 -4.097 10.187 1.00 0.00 C ATOM 955 O CYS A 59 10.485 -4.026 10.481 1.00 0.00 O ATOM 956 CB CYS A 59 7.608 -5.070 11.765 1.00 0.00 C ATOM 957 SG CYS A 59 8.313 -5.410 13.397 1.00 0.00 S ATOM 0 H CYS A 59 6.171 -3.533 10.636 1.00 0.00 H new ATOM 0 HA CYS A 59 8.672 -3.177 11.991 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.525 -4.974 11.838 1.00 0.00 H new ATOM 0 HB3 CYS A 59 7.810 -5.901 11.089 1.00 0.00 H new ATOM 0 HG CYS A 59 7.798 -6.505 13.873 1.00 0.00 H new ATOM 963 N GLU A 60 8.930 -4.447 8.988 1.00 0.00 N ATOM 964 CA GLU A 60 9.949 -4.770 7.947 1.00 0.00 C ATOM 965 C GLU A 60 10.729 -3.511 7.544 1.00 0.00 C ATOM 966 O GLU A 60 11.941 -3.522 7.470 1.00 0.00 O ATOM 967 CB GLU A 60 9.145 -5.302 6.761 1.00 0.00 C ATOM 968 CG GLU A 60 10.056 -6.138 5.860 1.00 0.00 C ATOM 969 CD GLU A 60 9.545 -7.578 5.809 1.00 0.00 C ATOM 970 OE1 GLU A 60 8.355 -7.771 5.995 1.00 0.00 O ATOM 971 OE2 GLU A 60 10.352 -8.465 5.585 1.00 0.00 O ATOM 0 H GLU A 60 7.959 -4.523 8.684 1.00 0.00 H new ATOM 0 HA GLU A 60 10.684 -5.492 8.304 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.311 -5.908 7.116 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.719 -4.473 6.196 1.00 0.00 H new ATOM 0 HG2 GLU A 60 10.080 -5.714 4.856 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.078 -6.117 6.239 1.00 0.00 H new ATOM 978 N LEU A 61 10.045 -2.432 7.273 1.00 0.00 N ATOM 979 CA LEU A 61 10.758 -1.181 6.863 1.00 0.00 C ATOM 980 C LEU A 61 11.333 -0.450 8.084 1.00 0.00 C ATOM 981 O LEU A 61 11.750 0.688 7.993 1.00 0.00 O ATOM 982 CB LEU A 61 9.705 -0.314 6.160 1.00 0.00 C ATOM 983 CG LEU A 61 8.377 -0.376 6.916 1.00 0.00 C ATOM 984 CD1 LEU A 61 7.861 1.043 7.168 1.00 0.00 C ATOM 985 CD2 LEU A 61 7.352 -1.144 6.077 1.00 0.00 C ATOM 0 H LEU A 61 9.029 -2.359 7.317 1.00 0.00 H new ATOM 0 HA LEU A 61 11.601 -1.401 6.209 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.052 0.718 6.104 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.565 -0.659 5.136 1.00 0.00 H new ATOM 0 HG LEU A 61 8.527 -0.882 7.870 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.915 0.996 7.707 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.590 1.595 7.762 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.711 1.550 6.215 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.404 -1.190 6.613 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.206 -0.634 5.125 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.715 -2.155 5.895 1.00 0.00 H new ATOM 997 N GLY A 62 11.367 -1.090 9.222 1.00 0.00 N ATOM 998 CA GLY A 62 11.925 -0.423 10.437 1.00 0.00 C ATOM 999 C GLY A 62 11.043 0.763 10.835 1.00 0.00 C ATOM 1000 O GLY A 62 11.368 1.519 11.728 1.00 0.00 O ATOM 0 H GLY A 62 11.034 -2.043 9.364 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.982 -1.136 11.259 1.00 0.00 H new ATOM 0 HA3 GLY A 62 12.941 -0.081 10.240 1.00 0.00 H new ATOM 1004 N ALA A 63 9.928 0.928 10.182 1.00 0.00 N ATOM 1005 CA ALA A 63 9.017 2.059 10.519 1.00 0.00 C ATOM 1006 C ALA A 63 7.677 1.503 11.003 1.00 0.00 C ATOM 1007 O ALA A 63 7.379 0.344 10.806 1.00 0.00 O ATOM 1008 CB ALA A 63 8.844 2.830 9.214 1.00 0.00 C ATOM 0 H ALA A 63 9.606 0.325 9.425 1.00 0.00 H new ATOM 0 HA ALA A 63 9.409 2.697 11.311 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.184 3.682 9.379 1.00 0.00 H new ATOM 0 HB2 ALA A 63 9.815 3.185 8.870 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.409 2.175 8.459 1.00 0.00 H new ATOM 1014 N GLN A 64 6.865 2.300 11.639 1.00 0.00 N ATOM 1015 CA GLN A 64 5.568 1.774 12.121 1.00 0.00 C ATOM 1016 C GLN A 64 4.436 2.287 11.235 1.00 0.00 C ATOM 1017 O GLN A 64 4.390 2.023 10.051 1.00 0.00 O ATOM 1018 CB GLN A 64 5.434 2.308 13.547 1.00 0.00 C ATOM 1019 CG GLN A 64 6.477 1.638 14.444 1.00 0.00 C ATOM 1020 CD GLN A 64 7.063 2.673 15.407 1.00 0.00 C ATOM 1021 OE1 GLN A 64 7.063 2.472 16.606 1.00 0.00 O ATOM 1022 NE2 GLN A 64 7.564 3.779 14.931 1.00 0.00 N ATOM 0 H GLN A 64 7.045 3.283 11.842 1.00 0.00 H new ATOM 0 HA GLN A 64 5.519 0.685 12.093 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.572 3.389 13.556 1.00 0.00 H new ATOM 0 HB3 GLN A 64 4.432 2.111 13.927 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.020 0.822 15.004 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.269 1.202 13.835 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.564 3.947 13.925 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.956 4.476 15.565 1.00 0.00 H new ATOM 1031 N THR A 65 3.519 3.010 11.803 1.00 0.00 N ATOM 1032 CA THR A 65 2.380 3.534 10.997 1.00 0.00 C ATOM 1033 C THR A 65 1.877 4.869 11.551 1.00 0.00 C ATOM 1034 O THR A 65 2.245 5.289 12.631 1.00 0.00 O ATOM 1035 CB THR A 65 1.293 2.467 11.096 1.00 0.00 C ATOM 1036 OG1 THR A 65 0.632 2.580 12.349 1.00 0.00 O ATOM 1037 CG2 THR A 65 1.919 1.078 10.968 1.00 0.00 C ATOM 0 H THR A 65 3.505 3.263 12.791 1.00 0.00 H new ATOM 0 HA THR A 65 2.675 3.724 9.965 1.00 0.00 H new ATOM 0 HB THR A 65 0.572 2.610 10.291 1.00 0.00 H new ATOM 0 HG1 THR A 65 -0.334 2.654 12.204 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.139 0.320 11.039 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.421 0.993 10.004 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.643 0.930 11.769 1.00 0.00 H new ATOM 1045 N GLN A 66 1.014 5.521 10.823 1.00 0.00 N ATOM 1046 CA GLN A 66 0.444 6.816 11.296 1.00 0.00 C ATOM 1047 C GLN A 66 -1.008 6.898 10.830 1.00 0.00 C ATOM 1048 O GLN A 66 -1.333 6.492 9.732 1.00 0.00 O ATOM 1049 CB GLN A 66 1.292 7.898 10.627 1.00 0.00 C ATOM 1050 CG GLN A 66 0.714 9.276 10.957 1.00 0.00 C ATOM 1051 CD GLN A 66 1.213 9.723 12.332 1.00 0.00 C ATOM 1052 OE1 GLN A 66 0.438 9.857 13.258 1.00 0.00 O ATOM 1053 NE2 GLN A 66 2.485 9.959 12.506 1.00 0.00 N ATOM 0 H GLN A 66 0.676 5.210 9.912 1.00 0.00 H new ATOM 0 HA GLN A 66 0.458 6.925 12.380 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.324 7.832 10.973 1.00 0.00 H new ATOM 0 HB3 GLN A 66 1.307 7.747 9.548 1.00 0.00 H new ATOM 0 HG2 GLN A 66 1.013 9.999 10.198 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.375 9.237 10.949 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.136 9.846 11.729 1.00 0.00 H new ATOM 0 HE22 GLN A 66 2.828 10.256 13.419 1.00 0.00 H new ATOM 1062 N PHE A 67 -1.896 7.384 11.650 1.00 0.00 N ATOM 1063 CA PHE A 67 -3.319 7.434 11.217 1.00 0.00 C ATOM 1064 C PHE A 67 -3.935 8.818 11.353 1.00 0.00 C ATOM 1065 O PHE A 67 -3.670 9.545 12.291 1.00 0.00 O ATOM 1066 CB PHE A 67 -4.018 6.422 12.114 1.00 0.00 C ATOM 1067 CG PHE A 67 -3.760 5.076 11.514 1.00 0.00 C ATOM 1068 CD1 PHE A 67 -4.115 4.860 10.187 1.00 0.00 C ATOM 1069 CD2 PHE A 67 -3.133 4.070 12.253 1.00 0.00 C ATOM 1070 CE1 PHE A 67 -3.845 3.640 9.583 1.00 0.00 C ATOM 1071 CE2 PHE A 67 -2.867 2.835 11.651 1.00 0.00 C ATOM 1072 CZ PHE A 67 -3.220 2.621 10.312 1.00 0.00 C ATOM 0 H PHE A 67 -1.704 7.743 12.585 1.00 0.00 H new ATOM 0 HA PHE A 67 -3.420 7.203 10.157 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.632 6.474 13.132 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -5.088 6.625 12.168 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -4.602 5.643 9.625 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.855 4.244 13.282 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.117 3.477 8.551 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -2.391 2.048 12.217 1.00 0.00 H new ATOM 0 HZ PHE A 67 -3.010 1.671 9.843 1.00 0.00 H new ATOM 1082 N ASP A 68 -4.790 9.172 10.433 1.00 0.00 N ATOM 1083 CA ASP A 68 -5.462 10.493 10.520 1.00 0.00 C ATOM 1084 C ASP A 68 -6.976 10.284 10.485 1.00 0.00 C ATOM 1085 O ASP A 68 -7.521 9.789 9.518 1.00 0.00 O ATOM 1086 CB ASP A 68 -4.990 11.267 9.289 1.00 0.00 C ATOM 1087 CG ASP A 68 -4.665 12.708 9.684 1.00 0.00 C ATOM 1088 OD1 ASP A 68 -5.345 13.231 10.553 1.00 0.00 O ATOM 1089 OD2 ASP A 68 -3.741 13.265 9.114 1.00 0.00 O ATOM 0 H ASP A 68 -5.050 8.603 9.627 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.225 11.031 11.438 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.109 10.789 8.862 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.763 11.255 8.521 1.00 0.00 H new ATOM 1094 N VAL A 69 -7.662 10.650 11.532 1.00 0.00 N ATOM 1095 CA VAL A 69 -9.139 10.463 11.551 1.00 0.00 C ATOM 1096 C VAL A 69 -9.818 11.698 10.967 1.00 0.00 C ATOM 1097 O VAL A 69 -10.697 11.599 10.132 1.00 0.00 O ATOM 1098 CB VAL A 69 -9.497 10.274 13.023 1.00 0.00 C ATOM 1099 CG1 VAL A 69 -8.596 9.193 13.625 1.00 0.00 C ATOM 1100 CG2 VAL A 69 -9.288 11.588 13.778 1.00 0.00 C ATOM 0 H VAL A 69 -7.265 11.069 12.373 1.00 0.00 H new ATOM 0 HA VAL A 69 -9.467 9.612 10.954 1.00 0.00 H new ATOM 0 HB VAL A 69 -10.541 9.973 13.107 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.847 9.054 14.676 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -8.745 8.255 13.089 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.553 9.499 13.539 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.545 11.449 14.828 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.245 11.892 13.697 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.926 12.360 13.348 1.00 0.00 H new ATOM 1110 N LYS A 70 -9.400 12.865 11.372 1.00 0.00 N ATOM 1111 CA LYS A 70 -10.005 14.098 10.806 1.00 0.00 C ATOM 1112 C LYS A 70 -9.540 14.246 9.357 1.00 0.00 C ATOM 1113 O LYS A 70 -9.991 15.106 8.627 1.00 0.00 O ATOM 1114 CB LYS A 70 -9.472 15.242 11.670 1.00 0.00 C ATOM 1115 CG LYS A 70 -10.556 15.686 12.654 1.00 0.00 C ATOM 1116 CD LYS A 70 -11.791 16.151 11.878 1.00 0.00 C ATOM 1117 CE LYS A 70 -11.882 17.678 11.931 1.00 0.00 C ATOM 1118 NZ LYS A 70 -12.666 17.973 13.162 1.00 0.00 N ATOM 0 H LYS A 70 -8.669 13.016 12.067 1.00 0.00 H new ATOM 0 HA LYS A 70 -11.095 14.083 10.808 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.584 14.919 12.213 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.173 16.079 11.039 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -10.819 14.862 13.317 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -10.183 16.495 13.282 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -11.731 15.815 10.843 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.690 15.707 12.305 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.892 18.131 11.975 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.375 18.075 11.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.772 19.002 13.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -13.606 17.534 13.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -12.169 17.589 13.991 1.00 0.00 H new ATOM 1132 N ASN A 71 -8.635 13.398 8.943 1.00 0.00 N ATOM 1133 CA ASN A 71 -8.123 13.461 7.547 1.00 0.00 C ATOM 1134 C ASN A 71 -8.449 12.159 6.809 1.00 0.00 C ATOM 1135 O ASN A 71 -8.588 12.146 5.603 1.00 0.00 O ATOM 1136 CB ASN A 71 -6.612 13.634 7.686 1.00 0.00 C ATOM 1137 CG ASN A 71 -6.129 14.719 6.721 1.00 0.00 C ATOM 1138 OD1 ASN A 71 -5.219 14.497 5.947 1.00 0.00 O ATOM 1139 ND2 ASN A 71 -6.704 15.891 6.733 1.00 0.00 N ATOM 0 H ASN A 71 -8.228 12.661 9.518 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.574 14.273 6.977 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -6.360 13.906 8.711 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -6.107 12.692 7.473 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.389 16.620 6.093 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -7.468 16.078 7.383 1.00 0.00 H new ATOM 1146 N ASP A 72 -8.569 11.062 7.521 1.00 0.00 N ATOM 1147 CA ASP A 72 -8.886 9.766 6.847 1.00 0.00 C ATOM 1148 C ASP A 72 -7.684 9.296 6.036 1.00 0.00 C ATOM 1149 O ASP A 72 -7.793 8.457 5.165 1.00 0.00 O ATOM 1150 CB ASP A 72 -10.031 10.087 5.906 1.00 0.00 C ATOM 1151 CG ASP A 72 -11.060 10.965 6.621 1.00 0.00 C ATOM 1152 OD1 ASP A 72 -11.540 10.551 7.664 1.00 0.00 O ATOM 1153 OD2 ASP A 72 -11.351 12.037 6.115 1.00 0.00 O ATOM 0 H ASP A 72 -8.461 11.010 8.534 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.136 8.982 7.561 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -9.654 10.600 5.021 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -10.501 9.165 5.563 1.00 0.00 H new ATOM 1158 N ARG A 73 -6.546 9.844 6.314 1.00 0.00 N ATOM 1159 CA ARG A 73 -5.324 9.451 5.560 1.00 0.00 C ATOM 1160 C ARG A 73 -4.350 8.738 6.491 1.00 0.00 C ATOM 1161 O ARG A 73 -4.041 9.211 7.566 1.00 0.00 O ATOM 1162 CB ARG A 73 -4.726 10.766 5.060 1.00 0.00 C ATOM 1163 CG ARG A 73 -4.679 10.758 3.531 1.00 0.00 C ATOM 1164 CD ARG A 73 -6.080 11.024 2.975 1.00 0.00 C ATOM 1165 NE ARG A 73 -6.174 12.505 2.863 1.00 0.00 N ATOM 1166 CZ ARG A 73 -7.342 13.078 2.756 1.00 0.00 C ATOM 1167 NH1 ARG A 73 -7.953 13.099 1.602 1.00 0.00 N ATOM 1168 NH2 ARG A 73 -7.898 13.629 3.799 1.00 0.00 N ATOM 0 H ARG A 73 -6.402 10.552 7.034 1.00 0.00 H new ATOM 0 HA ARG A 73 -5.542 8.768 4.738 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.324 11.607 5.411 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.722 10.898 5.464 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.984 11.518 3.174 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.311 9.797 3.173 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -6.218 10.545 2.006 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -6.850 10.628 3.638 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.326 13.072 2.870 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -7.518 12.668 0.786 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -8.866 13.546 1.516 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -7.420 13.613 4.700 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -8.811 14.076 3.714 1.00 0.00 H new ATOM 1182 N TYR A 74 -3.876 7.594 6.092 1.00 0.00 N ATOM 1183 CA TYR A 74 -2.933 6.842 6.960 1.00 0.00 C ATOM 1184 C TYR A 74 -1.550 6.778 6.309 1.00 0.00 C ATOM 1185 O TYR A 74 -1.415 6.482 5.138 1.00 0.00 O ATOM 1186 CB TYR A 74 -3.552 5.450 7.085 1.00 0.00 C ATOM 1187 CG TYR A 74 -5.054 5.581 7.230 1.00 0.00 C ATOM 1188 CD1 TYR A 74 -5.605 6.695 7.882 1.00 0.00 C ATOM 1189 CD2 TYR A 74 -5.897 4.593 6.706 1.00 0.00 C ATOM 1190 CE1 TYR A 74 -6.994 6.819 8.010 1.00 0.00 C ATOM 1191 CE2 TYR A 74 -7.286 4.719 6.832 1.00 0.00 C ATOM 1192 CZ TYR A 74 -7.834 5.831 7.482 1.00 0.00 C ATOM 1193 OH TYR A 74 -9.204 5.953 7.605 1.00 0.00 O ATOM 0 H TYR A 74 -4.101 7.147 5.203 1.00 0.00 H new ATOM 0 HA TYR A 74 -2.791 7.311 7.934 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -3.311 4.852 6.206 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -3.136 4.931 7.948 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -4.956 7.458 8.286 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.476 3.734 6.205 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.417 7.675 8.515 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.935 3.957 6.427 1.00 0.00 H new ATOM 0 HH TYR A 74 -9.640 5.183 7.184 1.00 0.00 H new ATOM 1203 N ILE A 75 -0.522 7.062 7.059 1.00 0.00 N ATOM 1204 CA ILE A 75 0.855 7.028 6.489 1.00 0.00 C ATOM 1205 C ILE A 75 1.715 6.016 7.250 1.00 0.00 C ATOM 1206 O ILE A 75 1.534 5.801 8.430 1.00 0.00 O ATOM 1207 CB ILE A 75 1.401 8.443 6.678 1.00 0.00 C ATOM 1208 CG1 ILE A 75 0.300 9.464 6.376 1.00 0.00 C ATOM 1209 CG2 ILE A 75 2.578 8.667 5.726 1.00 0.00 C ATOM 1210 CD1 ILE A 75 -0.086 9.377 4.898 1.00 0.00 C ATOM 0 H ILE A 75 -0.576 7.317 8.045 1.00 0.00 H new ATOM 0 HA ILE A 75 0.860 6.728 5.441 1.00 0.00 H new ATOM 0 HB ILE A 75 1.736 8.566 7.708 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.571 9.271 7.002 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.647 10.470 6.614 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.968 9.676 5.860 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.364 7.943 5.942 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.242 8.542 4.697 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.870 10.104 4.683 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.787 9.591 4.281 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.450 8.374 4.676 1.00 0.00 H new ATOM 1222 N VAL A 76 2.654 5.399 6.589 1.00 0.00 N ATOM 1223 CA VAL A 76 3.523 4.411 7.286 1.00 0.00 C ATOM 1224 C VAL A 76 4.957 4.936 7.330 1.00 0.00 C ATOM 1225 O VAL A 76 5.528 5.294 6.319 1.00 0.00 O ATOM 1226 CB VAL A 76 3.438 3.138 6.443 1.00 0.00 C ATOM 1227 CG1 VAL A 76 4.595 2.205 6.805 1.00 0.00 C ATOM 1228 CG2 VAL A 76 2.109 2.433 6.722 1.00 0.00 C ATOM 0 H VAL A 76 2.857 5.536 5.599 1.00 0.00 H new ATOM 0 HA VAL A 76 3.212 4.230 8.315 1.00 0.00 H new ATOM 0 HB VAL A 76 3.500 3.397 5.386 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.533 1.298 6.203 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.542 2.707 6.608 1.00 0.00 H new ATOM 0 HG13 VAL A 76 4.535 1.944 7.862 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.046 1.525 6.122 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.049 2.174 7.779 1.00 0.00 H new ATOM 0 HG23 VAL A 76 1.284 3.097 6.464 1.00 0.00 H new ATOM 1238 N ASN A 77 5.540 5.001 8.494 1.00 0.00 N ATOM 1239 CA ASN A 77 6.933 5.520 8.596 1.00 0.00 C ATOM 1240 C ASN A 77 7.825 4.868 7.535 1.00 0.00 C ATOM 1241 O ASN A 77 7.640 3.725 7.168 1.00 0.00 O ATOM 1242 CB ASN A 77 7.395 5.140 10.002 1.00 0.00 C ATOM 1243 CG ASN A 77 6.662 6.004 11.030 1.00 0.00 C ATOM 1244 OD1 ASN A 77 6.924 7.185 11.146 1.00 0.00 O ATOM 1245 ND2 ASN A 77 5.749 5.461 11.788 1.00 0.00 N ATOM 0 H ASN A 77 5.114 4.718 9.377 1.00 0.00 H new ATOM 0 HA ASN A 77 6.986 6.596 8.429 1.00 0.00 H new ATOM 0 HB2 ASN A 77 7.195 4.085 10.189 1.00 0.00 H new ATOM 0 HB3 ASN A 77 8.472 5.282 10.093 1.00 0.00 H new ATOM 0 HD21 ASN A 77 5.255 6.028 12.478 1.00 0.00 H new ATOM 0 HD22 ASN A 77 5.529 4.470 11.691 1.00 0.00 H new ATOM 1252 N GLY A 78 8.791 5.591 7.037 1.00 0.00 N ATOM 1253 CA GLY A 78 9.697 5.015 6.004 1.00 0.00 C ATOM 1254 C GLY A 78 9.121 5.268 4.611 1.00 0.00 C ATOM 1255 O GLY A 78 7.924 5.239 4.408 1.00 0.00 O ATOM 0 H GLY A 78 8.992 6.556 7.301 1.00 0.00 H new ATOM 0 HA2 GLY A 78 10.687 5.463 6.085 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.817 3.944 6.169 1.00 0.00 H new ATOM 1259 N SER A 79 9.966 5.510 3.646 1.00 0.00 N ATOM 1260 CA SER A 79 9.468 5.760 2.264 1.00 0.00 C ATOM 1261 C SER A 79 9.736 4.541 1.379 1.00 0.00 C ATOM 1262 O SER A 79 10.853 4.077 1.266 1.00 0.00 O ATOM 1263 CB SER A 79 10.260 6.966 1.765 1.00 0.00 C ATOM 1264 OG SER A 79 11.650 6.676 1.830 1.00 0.00 O ATOM 0 H SER A 79 10.980 5.545 3.755 1.00 0.00 H new ATOM 0 HA SER A 79 8.394 5.942 2.241 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.974 7.204 0.740 1.00 0.00 H new ATOM 0 HB3 SER A 79 10.031 7.842 2.372 1.00 0.00 H new ATOM 0 HG SER A 79 11.801 5.739 1.584 1.00 0.00 H new ATOM 1270 N HIS A 80 8.720 4.018 0.752 1.00 0.00 N ATOM 1271 CA HIS A 80 8.915 2.828 -0.126 1.00 0.00 C ATOM 1272 C HIS A 80 8.075 2.970 -1.398 1.00 0.00 C ATOM 1273 O HIS A 80 7.075 3.661 -1.418 1.00 0.00 O ATOM 1274 CB HIS A 80 8.437 1.626 0.697 1.00 0.00 C ATOM 1275 CG HIS A 80 8.477 1.957 2.165 1.00 0.00 C ATOM 1276 ND1 HIS A 80 7.395 2.520 2.825 1.00 0.00 N ATOM 1277 CD2 HIS A 80 9.459 1.811 3.113 1.00 0.00 C ATOM 1278 CE1 HIS A 80 7.748 2.690 4.112 1.00 0.00 C ATOM 1279 NE2 HIS A 80 8.996 2.275 4.342 1.00 0.00 N ATOM 0 H HIS A 80 7.762 4.363 0.809 1.00 0.00 H new ATOM 0 HA HIS A 80 9.954 2.716 -0.435 1.00 0.00 H new ATOM 0 HB2 HIS A 80 7.422 1.355 0.405 1.00 0.00 H new ATOM 0 HB3 HIS A 80 9.069 0.761 0.494 1.00 0.00 H new ATOM 0 HD2 HIS A 80 10.441 1.399 2.933 1.00 0.00 H new ATOM 0 HE1 HIS A 80 7.101 3.111 4.867 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.502 2.294 5.228 1.00 0.00 H new ATOM 1287 N GLU A 81 8.469 2.318 -2.458 1.00 0.00 N ATOM 1288 CA GLU A 81 7.688 2.417 -3.724 1.00 0.00 C ATOM 1289 C GLU A 81 6.634 1.309 -3.780 1.00 0.00 C ATOM 1290 O GLU A 81 6.759 0.284 -3.138 1.00 0.00 O ATOM 1291 CB GLU A 81 8.719 2.243 -4.842 1.00 0.00 C ATOM 1292 CG GLU A 81 8.037 1.698 -6.100 1.00 0.00 C ATOM 1293 CD GLU A 81 8.764 2.216 -7.342 1.00 0.00 C ATOM 1294 OE1 GLU A 81 9.852 1.734 -7.611 1.00 0.00 O ATOM 1295 OE2 GLU A 81 8.221 3.087 -8.001 1.00 0.00 O ATOM 0 H GLU A 81 9.296 1.722 -2.502 1.00 0.00 H new ATOM 0 HA GLU A 81 7.155 3.364 -3.810 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.195 3.199 -5.061 1.00 0.00 H new ATOM 0 HB3 GLU A 81 9.506 1.561 -4.520 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.047 0.608 -6.088 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.992 2.007 -6.122 1.00 0.00 H new ATOM 1302 N ALA A 82 5.596 1.506 -4.544 1.00 0.00 N ATOM 1303 CA ALA A 82 4.534 0.468 -4.644 1.00 0.00 C ATOM 1304 C ALA A 82 5.152 -0.890 -4.990 1.00 0.00 C ATOM 1305 O ALA A 82 4.796 -1.907 -4.429 1.00 0.00 O ATOM 1306 CB ALA A 82 3.625 0.947 -5.774 1.00 0.00 C ATOM 0 H ALA A 82 5.438 2.343 -5.105 1.00 0.00 H new ATOM 0 HA ALA A 82 3.990 0.338 -3.708 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.812 0.235 -5.914 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.212 1.923 -5.520 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.201 1.025 -6.696 1.00 0.00 H new ATOM 1312 N ASN A 83 6.079 -0.912 -5.908 1.00 0.00 N ATOM 1313 CA ASN A 83 6.721 -2.203 -6.288 1.00 0.00 C ATOM 1314 C ASN A 83 7.398 -2.832 -5.069 1.00 0.00 C ATOM 1315 O ASN A 83 7.450 -4.037 -4.925 1.00 0.00 O ATOM 1316 CB ASN A 83 7.758 -1.835 -7.349 1.00 0.00 C ATOM 1317 CG ASN A 83 7.075 -1.081 -8.490 1.00 0.00 C ATOM 1318 OD1 ASN A 83 6.230 -0.239 -8.259 1.00 0.00 O ATOM 1319 ND2 ASN A 83 7.406 -1.350 -9.724 1.00 0.00 N ATOM 0 H ASN A 83 6.420 -0.093 -6.411 1.00 0.00 H new ATOM 0 HA ASN A 83 6.000 -2.930 -6.662 1.00 0.00 H new ATOM 0 HB2 ASN A 83 8.541 -1.218 -6.909 1.00 0.00 H new ATOM 0 HB3 ASN A 83 8.239 -2.736 -7.731 1.00 0.00 H new ATOM 0 HD21 ASN A 83 6.955 -0.854 -10.493 1.00 0.00 H new ATOM 0 HD22 ASN A 83 8.115 -2.057 -9.919 1.00 0.00 H new ATOM 1326 N LYS A 84 7.917 -2.022 -4.190 1.00 0.00 N ATOM 1327 CA LYS A 84 8.591 -2.567 -2.977 1.00 0.00 C ATOM 1328 C LYS A 84 7.562 -3.203 -2.039 1.00 0.00 C ATOM 1329 O LYS A 84 7.803 -4.237 -1.447 1.00 0.00 O ATOM 1330 CB LYS A 84 9.247 -1.357 -2.310 1.00 0.00 C ATOM 1331 CG LYS A 84 10.624 -1.116 -2.931 1.00 0.00 C ATOM 1332 CD LYS A 84 11.678 -1.050 -1.825 1.00 0.00 C ATOM 1333 CE LYS A 84 12.027 -2.469 -1.366 1.00 0.00 C ATOM 1334 NZ LYS A 84 13.484 -2.425 -1.058 1.00 0.00 N ATOM 0 H LYS A 84 7.904 -1.004 -4.258 1.00 0.00 H new ATOM 0 HA LYS A 84 9.318 -3.341 -3.223 1.00 0.00 H new ATOM 0 HB2 LYS A 84 8.620 -0.474 -2.436 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.345 -1.528 -1.238 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.865 -1.917 -3.630 1.00 0.00 H new ATOM 0 HG3 LYS A 84 10.620 -0.187 -3.500 1.00 0.00 H new ATOM 0 HD2 LYS A 84 12.572 -0.544 -2.190 1.00 0.00 H new ATOM 0 HD3 LYS A 84 11.302 -0.467 -0.984 1.00 0.00 H new ATOM 0 HE2 LYS A 84 11.446 -2.755 -0.489 1.00 0.00 H new ATOM 0 HE3 LYS A 84 11.810 -3.201 -2.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 13.799 -3.362 -0.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 14.012 -2.157 -1.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 13.660 -1.725 -0.309 1.00 0.00 H new ATOM 1348 N LEU A 85 6.417 -2.594 -1.899 1.00 0.00 N ATOM 1349 CA LEU A 85 5.373 -3.166 -0.999 1.00 0.00 C ATOM 1350 C LEU A 85 4.971 -4.562 -1.477 1.00 0.00 C ATOM 1351 O LEU A 85 4.700 -5.446 -0.689 1.00 0.00 O ATOM 1352 CB LEU A 85 4.190 -2.202 -1.101 1.00 0.00 C ATOM 1353 CG LEU A 85 4.666 -0.775 -0.825 1.00 0.00 C ATOM 1354 CD1 LEU A 85 3.459 0.121 -0.544 1.00 0.00 C ATOM 1355 CD2 LEU A 85 5.594 -0.774 0.391 1.00 0.00 C ATOM 0 H LEU A 85 6.158 -1.726 -2.368 1.00 0.00 H new ATOM 0 HA LEU A 85 5.725 -3.271 0.027 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.744 -2.262 -2.094 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.416 -2.483 -0.386 1.00 0.00 H new ATOM 0 HG LEU A 85 5.204 -0.398 -1.695 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.799 1.138 -0.347 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.796 0.121 -1.409 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.920 -0.256 0.325 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.934 0.243 0.589 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.055 -1.152 1.260 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.455 -1.412 0.192 1.00 0.00 H new ATOM 1367 N GLN A 86 4.931 -4.768 -2.763 1.00 0.00 N ATOM 1368 CA GLN A 86 4.548 -6.107 -3.291 1.00 0.00 C ATOM 1369 C GLN A 86 5.641 -7.132 -2.972 1.00 0.00 C ATOM 1370 O GLN A 86 5.363 -8.283 -2.699 1.00 0.00 O ATOM 1371 CB GLN A 86 4.418 -5.914 -4.803 1.00 0.00 C ATOM 1372 CG GLN A 86 2.972 -5.556 -5.148 1.00 0.00 C ATOM 1373 CD GLN A 86 2.743 -5.746 -6.649 1.00 0.00 C ATOM 1374 OE1 GLN A 86 3.420 -5.145 -7.460 1.00 0.00 O ATOM 1375 NE2 GLN A 86 1.810 -6.563 -7.056 1.00 0.00 N ATOM 0 H GLN A 86 5.147 -4.067 -3.472 1.00 0.00 H new ATOM 0 HA GLN A 86 3.624 -6.478 -2.847 1.00 0.00 H new ATOM 0 HB2 GLN A 86 5.090 -5.124 -5.139 1.00 0.00 H new ATOM 0 HB3 GLN A 86 4.713 -6.825 -5.323 1.00 0.00 H new ATOM 0 HG2 GLN A 86 2.285 -6.186 -4.582 1.00 0.00 H new ATOM 0 HG3 GLN A 86 2.764 -4.524 -4.865 1.00 0.00 H new ATOM 0 HE21 GLN A 86 1.242 -7.068 -6.376 1.00 0.00 H new ATOM 0 HE22 GLN A 86 1.649 -6.697 -8.054 1.00 0.00 H new ATOM 1384 N ASP A 87 6.880 -6.726 -3.015 1.00 0.00 N ATOM 1385 CA ASP A 87 7.991 -7.679 -2.725 1.00 0.00 C ATOM 1386 C ASP A 87 7.894 -8.212 -1.291 1.00 0.00 C ATOM 1387 O ASP A 87 8.015 -9.397 -1.053 1.00 0.00 O ATOM 1388 CB ASP A 87 9.269 -6.860 -2.904 1.00 0.00 C ATOM 1389 CG ASP A 87 10.428 -7.792 -3.262 1.00 0.00 C ATOM 1390 OD1 ASP A 87 10.264 -8.588 -4.171 1.00 0.00 O ATOM 1391 OD2 ASP A 87 11.461 -7.694 -2.620 1.00 0.00 O ATOM 0 H ASP A 87 7.172 -5.775 -3.239 1.00 0.00 H new ATOM 0 HA ASP A 87 7.961 -8.549 -3.381 1.00 0.00 H new ATOM 0 HB2 ASP A 87 9.130 -6.117 -3.689 1.00 0.00 H new ATOM 0 HB3 ASP A 87 9.496 -6.316 -1.987 1.00 0.00 H new