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 165:sc= -2.38! USER MOD Set 1.2: A 80 HIS : no HD1:sc= -15.6! C(o=-18!,f=-28!) USER MOD Single : A 24 LYS NZ :NH3+ 139:sc= -1.98 (180deg=-4.79!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -1.05 K(o=-1.1,f=-4.4!) USER MOD Single : A 39 MET CE :methyl 168:sc= -4.46! (180deg=-4.66!) USER MOD Single : A 44 LYS NZ :NH3+ 150:sc= -0.544 (180deg=-1.9!) USER MOD Single : A 47 ASN : amide:sc= -0.938 K(o=-0.94,f=-1.9!) USER MOD Single : A 51 THR OG1 : rot 180:sc= -1.8! 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 70:sc= 1.32 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 65 THR OG1 : rot 127:sc= 0.468 USER MOD Single : A 66 GLN : amide:sc= -0.0155 X(o=-0.015,f=-0.15) USER MOD Single : A 70 LYS NZ :NH3+ -144:sc= -0.344 (180deg=-2.05!) USER MOD Single : A 71 ASN : amide:sc= -1.75! C(o=-1.7!,f=-6.1!) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -6.03! C(o=-6!,f=-7.1!) USER MOD Single : A 79 SER OG : rot -2:sc= 0.216 USER MOD Single : A 83 ASN : amide:sc= -0.255 K(o=-0.25,f=-1.4) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.593 X(o=-0.59,f=-1) USER MOD ----------------------------------------------------------------- ATOM 353 N LEU A 21 -1.364 -1.100 -5.758 1.00 0.00 N ATOM 354 CA LEU A 21 -1.033 -0.353 -4.510 1.00 0.00 C ATOM 355 C LEU A 21 -0.329 0.963 -4.850 1.00 0.00 C ATOM 356 O LEU A 21 0.688 0.979 -5.514 1.00 0.00 O ATOM 357 CB LEU A 21 -0.095 -1.276 -3.730 1.00 0.00 C ATOM 358 CG LEU A 21 -0.398 -1.169 -2.235 1.00 0.00 C ATOM 359 CD1 LEU A 21 -1.882 -1.448 -1.992 1.00 0.00 C ATOM 360 CD2 LEU A 21 0.443 -2.193 -1.472 1.00 0.00 C ATOM 0 HA LEU A 21 -1.923 -0.097 -3.936 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.221 -2.306 -4.064 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.943 -1.003 -3.922 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.156 -0.165 -1.887 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.097 -1.371 -0.926 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.483 -0.720 -2.537 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.125 -2.452 -2.340 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.228 -2.118 -0.406 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.200 -3.196 -1.822 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.501 -1.995 -1.644 1.00 0.00 H new ATOM 372 N ILE A 22 -0.860 2.065 -4.397 1.00 0.00 N ATOM 373 CA ILE A 22 -0.218 3.377 -4.690 1.00 0.00 C ATOM 374 C ILE A 22 0.437 3.936 -3.424 1.00 0.00 C ATOM 375 O ILE A 22 -0.217 4.162 -2.426 1.00 0.00 O ATOM 376 CB ILE A 22 -1.359 4.283 -5.151 1.00 0.00 C ATOM 377 CG1 ILE A 22 -1.789 3.881 -6.565 1.00 0.00 C ATOM 378 CG2 ILE A 22 -0.888 5.738 -5.157 1.00 0.00 C ATOM 379 CD1 ILE A 22 -2.915 4.802 -7.038 1.00 0.00 C ATOM 0 H ILE A 22 -1.711 2.114 -3.837 1.00 0.00 H new ATOM 0 HA ILE A 22 0.565 3.296 -5.444 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.203 4.178 -4.469 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.941 3.946 -7.247 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.125 2.844 -6.573 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.703 6.383 -5.486 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.581 6.025 -4.151 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.044 5.844 -5.838 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.221 4.516 -8.044 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.765 4.714 -6.362 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.562 5.833 -7.046 1.00 0.00 H new ATOM 391 N ALA A 23 1.722 4.158 -3.456 1.00 0.00 N ATOM 392 CA ALA A 23 2.415 4.698 -2.252 1.00 0.00 C ATOM 393 C ALA A 23 3.080 6.039 -2.575 1.00 0.00 C ATOM 394 O ALA A 23 3.710 6.199 -3.601 1.00 0.00 O ATOM 395 CB ALA A 23 3.469 3.648 -1.898 1.00 0.00 C ATOM 0 H ALA A 23 2.322 3.989 -4.263 1.00 0.00 H new ATOM 0 HA ALA A 23 1.725 4.879 -1.428 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.025 3.973 -1.018 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.979 2.697 -1.688 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.155 3.525 -2.736 1.00 0.00 H new ATOM 401 N LYS A 24 2.945 7.001 -1.705 1.00 0.00 N ATOM 402 CA LYS A 24 3.570 8.331 -1.957 1.00 0.00 C ATOM 403 C LYS A 24 4.612 8.633 -0.878 1.00 0.00 C ATOM 404 O LYS A 24 4.399 8.381 0.292 1.00 0.00 O ATOM 405 CB LYS A 24 2.416 9.331 -1.887 1.00 0.00 C ATOM 406 CG LYS A 24 2.944 10.742 -2.153 1.00 0.00 C ATOM 407 CD LYS A 24 1.975 11.769 -1.565 1.00 0.00 C ATOM 408 CE LYS A 24 0.840 12.027 -2.557 1.00 0.00 C ATOM 409 NZ LYS A 24 0.004 10.794 -2.515 1.00 0.00 N ATOM 0 H LYS A 24 2.428 6.924 -0.829 1.00 0.00 H new ATOM 0 HA LYS A 24 4.085 8.373 -2.917 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.653 9.073 -2.621 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.943 9.288 -0.906 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.932 10.862 -1.708 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.056 10.904 -3.225 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.571 11.404 -0.621 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.501 12.699 -1.349 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.261 12.906 -2.275 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.226 12.208 -3.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.002 11.056 -2.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.224 10.197 -3.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.206 10.267 -1.642 1.00 0.00 H new ATOM 423 N VAL A 25 5.739 9.167 -1.259 1.00 0.00 N ATOM 424 CA VAL A 25 6.794 9.479 -0.253 1.00 0.00 C ATOM 425 C VAL A 25 6.659 10.929 0.224 1.00 0.00 C ATOM 426 O VAL A 25 6.689 11.856 -0.562 1.00 0.00 O ATOM 427 CB VAL A 25 8.122 9.274 -0.986 1.00 0.00 C ATOM 428 CG1 VAL A 25 9.227 8.989 0.032 1.00 0.00 C ATOM 429 CG2 VAL A 25 8.002 8.088 -1.946 1.00 0.00 C ATOM 0 H VAL A 25 5.976 9.401 -2.223 1.00 0.00 H new ATOM 0 HA VAL A 25 6.719 8.846 0.631 1.00 0.00 H new ATOM 0 HB VAL A 25 8.365 10.175 -1.549 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.173 8.843 -0.489 1.00 0.00 H new ATOM 0 HG12 VAL A 25 9.317 9.832 0.717 1.00 0.00 H new ATOM 0 HG13 VAL A 25 8.980 8.089 0.595 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.949 7.944 -2.467 1.00 0.00 H new ATOM 0 HG22 VAL A 25 7.757 7.187 -1.383 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.215 8.287 -2.673 1.00 0.00 H new ATOM 439 N GLU A 26 6.508 11.133 1.505 1.00 0.00 N ATOM 440 CA GLU A 26 6.369 12.523 2.029 1.00 0.00 C ATOM 441 C GLU A 26 7.125 12.674 3.353 1.00 0.00 C ATOM 442 O GLU A 26 7.477 11.703 3.991 1.00 0.00 O ATOM 443 CB GLU A 26 4.868 12.712 2.250 1.00 0.00 C ATOM 444 CG GLU A 26 4.411 14.006 1.577 1.00 0.00 C ATOM 445 CD GLU A 26 2.886 14.006 1.451 1.00 0.00 C ATOM 446 OE1 GLU A 26 2.330 12.944 1.220 1.00 0.00 O ATOM 447 OE2 GLU A 26 2.299 15.067 1.588 1.00 0.00 O ATOM 0 H GLU A 26 6.475 10.398 2.211 1.00 0.00 H new ATOM 0 HA GLU A 26 6.781 13.263 1.343 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.320 11.864 1.840 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.649 12.748 3.317 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.738 14.867 2.160 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.868 14.097 0.591 1.00 0.00 H new ATOM 511 N ILE A 32 10.492 11.384 3.308 1.00 0.00 N ATOM 512 CA ILE A 32 10.951 9.970 3.433 1.00 0.00 C ATOM 513 C ILE A 32 9.857 9.111 4.075 1.00 0.00 C ATOM 514 O ILE A 32 10.072 7.965 4.418 1.00 0.00 O ATOM 515 CB ILE A 32 12.200 10.032 4.319 1.00 0.00 C ATOM 516 CG1 ILE A 32 13.440 10.011 3.428 1.00 0.00 C ATOM 517 CG2 ILE A 32 12.239 8.820 5.252 1.00 0.00 C ATOM 518 CD1 ILE A 32 13.466 8.696 2.649 1.00 0.00 C ATOM 0 HA ILE A 32 11.170 9.517 2.466 1.00 0.00 H new ATOM 0 HB ILE A 32 12.176 10.945 4.914 1.00 0.00 H new ATOM 0 HG12 ILE A 32 13.425 10.857 2.740 1.00 0.00 H new ATOM 0 HG13 ILE A 32 14.341 10.109 4.033 1.00 0.00 H new ATOM 0 HG21 ILE A 32 13.130 8.871 5.878 1.00 0.00 H new ATOM 0 HG22 ILE A 32 11.351 8.818 5.884 1.00 0.00 H new ATOM 0 HG23 ILE A 32 12.264 7.905 4.660 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.348 8.670 2.009 1.00 0.00 H new ATOM 0 HD12 ILE A 32 13.500 7.860 3.348 1.00 0.00 H new ATOM 0 HD13 ILE A 32 12.569 8.619 2.034 1.00 0.00 H new ATOM 530 N LYS A 33 8.681 9.646 4.230 1.00 0.00 N ATOM 531 CA LYS A 33 7.582 8.846 4.838 1.00 0.00 C ATOM 532 C LYS A 33 6.713 8.261 3.725 1.00 0.00 C ATOM 533 O LYS A 33 6.637 8.807 2.643 1.00 0.00 O ATOM 534 CB LYS A 33 6.778 9.834 5.687 1.00 0.00 C ATOM 535 CG LYS A 33 7.729 10.726 6.489 1.00 0.00 C ATOM 536 CD LYS A 33 7.816 10.213 7.928 1.00 0.00 C ATOM 537 CE LYS A 33 6.607 10.715 8.721 1.00 0.00 C ATOM 538 NZ LYS A 33 7.076 11.960 9.390 1.00 0.00 N ATOM 0 H LYS A 33 8.432 10.599 3.964 1.00 0.00 H new ATOM 0 HA LYS A 33 7.951 8.017 5.441 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.145 10.447 5.045 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.117 9.292 6.363 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.718 10.726 6.031 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.373 11.756 6.480 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.843 9.123 7.936 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.739 10.558 8.394 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.760 10.914 8.065 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.278 9.975 9.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.301 12.364 9.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.879 11.738 10.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.376 12.649 8.671 1.00 0.00 H new ATOM 552 N THR A 34 6.068 7.152 3.962 1.00 0.00 N ATOM 553 CA THR A 34 5.230 6.559 2.879 1.00 0.00 C ATOM 554 C THR A 34 3.743 6.771 3.162 1.00 0.00 C ATOM 555 O THR A 34 3.222 6.332 4.165 1.00 0.00 O ATOM 556 CB THR A 34 5.577 5.072 2.877 1.00 0.00 C ATOM 557 OG1 THR A 34 6.835 4.891 2.240 1.00 0.00 O ATOM 558 CG2 THR A 34 4.499 4.292 2.119 1.00 0.00 C ATOM 0 H THR A 34 6.083 6.637 4.842 1.00 0.00 H new ATOM 0 HA THR A 34 5.426 7.024 1.913 1.00 0.00 H new ATOM 0 HB THR A 34 5.627 4.705 3.902 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.176 3.994 2.439 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.749 3.231 2.119 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.535 4.437 2.606 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.444 4.652 1.091 1.00 0.00 H new ATOM 566 N VAL A 35 3.054 7.439 2.278 1.00 0.00 N ATOM 567 CA VAL A 35 1.598 7.675 2.490 1.00 0.00 C ATOM 568 C VAL A 35 0.785 6.825 1.510 1.00 0.00 C ATOM 569 O VAL A 35 0.885 6.978 0.308 1.00 0.00 O ATOM 570 CB VAL A 35 1.390 9.163 2.209 1.00 0.00 C ATOM 571 CG1 VAL A 35 -0.035 9.562 2.593 1.00 0.00 C ATOM 572 CG2 VAL A 35 2.387 9.981 3.035 1.00 0.00 C ATOM 0 H VAL A 35 3.437 7.832 1.418 1.00 0.00 H new ATOM 0 HA VAL A 35 1.275 7.405 3.495 1.00 0.00 H new ATOM 0 HB VAL A 35 1.548 9.357 1.148 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.182 10.623 2.392 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.746 8.980 2.007 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.194 9.368 3.654 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.240 11.043 2.836 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.228 9.785 4.095 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.404 9.698 2.763 1.00 0.00 H new ATOM 582 N ILE A 36 -0.018 5.927 2.012 1.00 0.00 N ATOM 583 CA ILE A 36 -0.832 5.066 1.107 1.00 0.00 C ATOM 584 C ILE A 36 -2.233 5.660 0.930 1.00 0.00 C ATOM 585 O ILE A 36 -3.018 5.710 1.856 1.00 0.00 O ATOM 586 CB ILE A 36 -0.905 3.711 1.810 1.00 0.00 C ATOM 587 CG1 ILE A 36 0.487 3.331 2.322 1.00 0.00 C ATOM 588 CG2 ILE A 36 -1.392 2.649 0.824 1.00 0.00 C ATOM 589 CD1 ILE A 36 0.490 1.864 2.757 1.00 0.00 C ATOM 0 H ILE A 36 -0.146 5.752 3.009 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.396 4.984 0.111 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.599 3.772 2.648 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.229 3.491 1.540 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.764 3.970 3.160 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.444 1.683 1.326 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.382 2.920 0.456 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.698 2.585 -0.014 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.481 1.595 3.121 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.241 1.719 3.553 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.232 1.232 1.907 1.00 0.00 H new ATOM 601 N VAL A 37 -2.551 6.109 -0.253 1.00 0.00 N ATOM 602 CA VAL A 37 -3.901 6.699 -0.488 1.00 0.00 C ATOM 603 C VAL A 37 -4.819 5.670 -1.156 1.00 0.00 C ATOM 604 O VAL A 37 -5.975 5.934 -1.418 1.00 0.00 O ATOM 605 CB VAL A 37 -3.656 7.885 -1.421 1.00 0.00 C ATOM 606 CG1 VAL A 37 -3.240 7.373 -2.801 1.00 0.00 C ATOM 607 CG2 VAL A 37 -4.942 8.706 -1.549 1.00 0.00 C ATOM 0 H VAL A 37 -1.936 6.093 -1.067 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.387 7.003 0.439 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.863 8.511 -1.012 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.066 8.219 -3.466 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.325 6.787 -2.711 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.033 6.747 -3.211 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.769 9.552 -2.214 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.735 8.079 -1.958 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.239 9.072 -0.566 1.00 0.00 H new ATOM 617 N ASN A 38 -4.310 4.500 -1.432 1.00 0.00 N ATOM 618 CA ASN A 38 -5.154 3.456 -2.082 1.00 0.00 C ATOM 619 C ASN A 38 -5.704 2.489 -1.030 1.00 0.00 C ATOM 620 O ASN A 38 -6.433 1.568 -1.341 1.00 0.00 O ATOM 621 CB ASN A 38 -4.213 2.727 -3.041 1.00 0.00 C ATOM 622 CG ASN A 38 -4.951 2.419 -4.345 1.00 0.00 C ATOM 623 OD1 ASN A 38 -6.158 2.536 -4.415 1.00 0.00 O ATOM 624 ND2 ASN A 38 -4.271 2.027 -5.388 1.00 0.00 N ATOM 0 H ASN A 38 -3.348 4.222 -1.236 1.00 0.00 H new ATOM 0 HA ASN A 38 -6.013 3.883 -2.600 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -3.336 3.341 -3.244 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -3.857 1.803 -2.585 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -4.753 1.819 -6.262 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -3.257 1.929 -5.329 1.00 0.00 H new ATOM 631 N MET A 39 -5.360 2.691 0.213 1.00 0.00 N ATOM 632 CA MET A 39 -5.863 1.783 1.283 1.00 0.00 C ATOM 633 C MET A 39 -7.393 1.810 1.320 1.00 0.00 C ATOM 634 O MET A 39 -8.039 0.787 1.438 1.00 0.00 O ATOM 635 CB MET A 39 -5.285 2.342 2.583 1.00 0.00 C ATOM 636 CG MET A 39 -3.773 2.114 2.610 1.00 0.00 C ATOM 637 SD MET A 39 -3.226 1.894 4.321 1.00 0.00 S ATOM 638 CE MET A 39 -2.249 0.393 4.055 1.00 0.00 C ATOM 0 H MET A 39 -4.753 3.445 0.534 1.00 0.00 H new ATOM 0 HA MET A 39 -5.567 0.747 1.119 1.00 0.00 H new ATOM 0 HB2 MET A 39 -5.504 3.407 2.662 1.00 0.00 H new ATOM 0 HB3 MET A 39 -5.752 1.856 3.440 1.00 0.00 H new ATOM 0 HG2 MET A 39 -3.517 1.235 2.019 1.00 0.00 H new ATOM 0 HG3 MET A 39 -3.258 2.962 2.159 1.00 0.00 H new ATOM 0 HE1 MET A 39 -1.642 0.193 4.938 1.00 0.00 H new ATOM 0 HE2 MET A 39 -2.917 -0.449 3.875 1.00 0.00 H new ATOM 0 HE3 MET A 39 -1.598 0.531 3.191 1.00 0.00 H new ATOM 648 N VAL A 40 -7.978 2.972 1.220 1.00 0.00 N ATOM 649 CA VAL A 40 -9.466 3.063 1.251 1.00 0.00 C ATOM 650 C VAL A 40 -10.069 2.271 0.088 1.00 0.00 C ATOM 651 O VAL A 40 -11.039 1.557 0.247 1.00 0.00 O ATOM 652 CB VAL A 40 -9.774 4.554 1.101 1.00 0.00 C ATOM 653 CG1 VAL A 40 -9.161 5.322 2.274 1.00 0.00 C ATOM 654 CG2 VAL A 40 -9.178 5.067 -0.211 1.00 0.00 C ATOM 0 H VAL A 40 -7.491 3.862 1.118 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.886 2.650 2.168 1.00 0.00 H new ATOM 0 HB VAL A 40 -10.854 4.704 1.094 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.380 6.384 2.168 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -9.584 4.956 3.209 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -8.081 5.173 2.282 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.397 6.129 -0.319 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.098 4.918 -0.203 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.614 4.520 -1.047 1.00 0.00 H new ATOM 664 N ASP A 41 -9.501 2.391 -1.081 1.00 0.00 N ATOM 665 CA ASP A 41 -10.043 1.643 -2.253 1.00 0.00 C ATOM 666 C ASP A 41 -9.839 0.138 -2.059 1.00 0.00 C ATOM 667 O ASP A 41 -10.750 -0.648 -2.225 1.00 0.00 O ATOM 668 CB ASP A 41 -9.234 2.143 -3.451 1.00 0.00 C ATOM 669 CG ASP A 41 -9.682 3.559 -3.814 1.00 0.00 C ATOM 670 OD1 ASP A 41 -10.315 4.191 -2.984 1.00 0.00 O ATOM 671 OD2 ASP A 41 -9.385 3.989 -4.917 1.00 0.00 O ATOM 0 H ASP A 41 -8.687 2.973 -1.276 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.113 1.804 -2.387 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -8.170 2.136 -3.213 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -9.374 1.476 -4.302 1.00 0.00 H new ATOM 676 N VAL A 42 -8.650 -0.268 -1.707 1.00 0.00 N ATOM 677 CA VAL A 42 -8.389 -1.722 -1.502 1.00 0.00 C ATOM 678 C VAL A 42 -9.154 -2.229 -0.276 1.00 0.00 C ATOM 679 O VAL A 42 -9.739 -3.293 -0.294 1.00 0.00 O ATOM 680 CB VAL A 42 -6.882 -1.826 -1.274 1.00 0.00 C ATOM 681 CG1 VAL A 42 -6.534 -3.235 -0.789 1.00 0.00 C ATOM 682 CG2 VAL A 42 -6.148 -1.544 -2.586 1.00 0.00 C ATOM 0 H VAL A 42 -7.848 0.343 -1.552 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.715 -2.323 -2.351 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.578 -1.098 -0.522 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.459 -3.309 -0.627 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.057 -3.438 0.146 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.838 -3.964 -1.540 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.073 -1.618 -2.424 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.453 -2.272 -3.337 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.395 -0.540 -2.932 1.00 0.00 H new ATOM 692 N ALA A 43 -9.154 -1.473 0.788 1.00 0.00 N ATOM 693 CA ALA A 43 -9.881 -1.911 2.014 1.00 0.00 C ATOM 694 C ALA A 43 -11.379 -2.019 1.729 1.00 0.00 C ATOM 695 O ALA A 43 -12.063 -2.878 2.253 1.00 0.00 O ATOM 696 CB ALA A 43 -9.607 -0.820 3.048 1.00 0.00 C ATOM 0 H ALA A 43 -8.682 -0.572 0.862 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.554 -2.891 2.361 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.110 -1.070 3.982 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.534 -0.745 3.222 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.982 0.134 2.678 1.00 0.00 H new ATOM 702 N LYS A 44 -11.894 -1.155 0.901 1.00 0.00 N ATOM 703 CA LYS A 44 -13.349 -1.204 0.578 1.00 0.00 C ATOM 704 C LYS A 44 -13.711 -2.563 -0.027 1.00 0.00 C ATOM 705 O LYS A 44 -14.682 -3.186 0.358 1.00 0.00 O ATOM 706 CB LYS A 44 -13.566 -0.087 -0.444 1.00 0.00 C ATOM 707 CG LYS A 44 -15.036 0.340 -0.429 1.00 0.00 C ATOM 708 CD LYS A 44 -15.235 1.449 0.606 1.00 0.00 C ATOM 709 CE LYS A 44 -16.419 1.098 1.509 1.00 0.00 C ATOM 710 NZ LYS A 44 -15.864 0.159 2.523 1.00 0.00 N ATOM 0 H LYS A 44 -11.371 -0.415 0.433 1.00 0.00 H new ATOM 0 HA LYS A 44 -13.973 -1.074 1.462 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.927 0.764 -0.210 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.286 -0.431 -1.440 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.333 0.692 -1.417 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -15.671 -0.513 -0.190 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -14.331 1.570 1.204 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.415 2.400 0.105 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -16.833 1.989 1.981 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -17.225 0.634 0.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.390 0.260 3.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -15.954 -0.818 2.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.860 0.378 2.686 1.00 0.00 H new ATOM 724 N ALA A 45 -12.939 -3.028 -0.969 1.00 0.00 N ATOM 725 CA ALA A 45 -13.239 -4.348 -1.598 1.00 0.00 C ATOM 726 C ALA A 45 -12.876 -5.484 -0.639 1.00 0.00 C ATOM 727 O ALA A 45 -13.293 -6.611 -0.810 1.00 0.00 O ATOM 728 CB ALA A 45 -12.361 -4.399 -2.848 1.00 0.00 C ATOM 0 H ALA A 45 -12.113 -2.552 -1.332 1.00 0.00 H new ATOM 0 HA ALA A 45 -14.296 -4.461 -1.838 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -12.524 -5.343 -3.369 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -12.619 -3.571 -3.508 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.313 -4.320 -2.560 1.00 0.00 H new ATOM 734 N LEU A 46 -12.100 -5.195 0.370 1.00 0.00 N ATOM 735 CA LEU A 46 -11.710 -6.259 1.339 1.00 0.00 C ATOM 736 C LEU A 46 -12.518 -6.119 2.632 1.00 0.00 C ATOM 737 O LEU A 46 -12.396 -6.916 3.541 1.00 0.00 O ATOM 738 CB LEU A 46 -10.223 -6.025 1.606 1.00 0.00 C ATOM 739 CG LEU A 46 -9.709 -7.075 2.591 1.00 0.00 C ATOM 740 CD1 LEU A 46 -8.227 -7.342 2.327 1.00 0.00 C ATOM 741 CD2 LEU A 46 -9.887 -6.560 4.021 1.00 0.00 C ATOM 0 H LEU A 46 -11.719 -4.269 0.565 1.00 0.00 H new ATOM 0 HA LEU A 46 -11.902 -7.260 0.953 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.662 -6.081 0.673 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.069 -5.025 2.011 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.272 -8.000 2.463 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.861 -8.091 3.030 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -8.099 -7.708 1.308 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.663 -6.418 2.455 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.521 -7.307 4.725 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.324 -5.636 4.148 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.943 -6.370 4.210 1.00 0.00 H new ATOM 753 N ASN A 47 -13.343 -5.112 2.719 1.00 0.00 N ATOM 754 CA ASN A 47 -14.161 -4.916 3.951 1.00 0.00 C ATOM 755 C ASN A 47 -13.258 -4.568 5.138 1.00 0.00 C ATOM 756 O ASN A 47 -13.406 -3.534 5.760 1.00 0.00 O ATOM 757 CB ASN A 47 -14.860 -6.258 4.186 1.00 0.00 C ATOM 758 CG ASN A 47 -15.372 -6.810 2.854 1.00 0.00 C ATOM 759 OD1 ASN A 47 -15.706 -6.058 1.959 1.00 0.00 O ATOM 760 ND2 ASN A 47 -15.447 -8.100 2.682 1.00 0.00 N ATOM 0 H ASN A 47 -13.487 -4.415 1.989 1.00 0.00 H new ATOM 0 HA ASN A 47 -14.874 -4.099 3.844 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -14.167 -6.965 4.642 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -15.690 -6.131 4.881 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -15.786 -8.478 1.797 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -15.167 -8.732 3.432 1.00 0.00 H new ATOM 767 N ARG A 48 -12.325 -5.422 5.457 1.00 0.00 N ATOM 768 CA ARG A 48 -11.415 -5.138 6.603 1.00 0.00 C ATOM 769 C ARG A 48 -10.355 -4.113 6.194 1.00 0.00 C ATOM 770 O ARG A 48 -9.745 -4.231 5.150 1.00 0.00 O ATOM 771 CB ARG A 48 -10.764 -6.481 6.934 1.00 0.00 C ATOM 772 CG ARG A 48 -10.893 -6.756 8.433 1.00 0.00 C ATOM 773 CD ARG A 48 -9.567 -6.437 9.126 1.00 0.00 C ATOM 774 NE ARG A 48 -8.788 -7.704 9.066 1.00 0.00 N ATOM 775 CZ ARG A 48 -8.596 -8.405 10.149 1.00 0.00 C ATOM 776 NH1 ARG A 48 -8.420 -7.803 11.294 1.00 0.00 N ATOM 777 NH2 ARG A 48 -8.583 -9.709 10.090 1.00 0.00 N ATOM 0 H ARG A 48 -12.153 -6.304 4.974 1.00 0.00 H new ATOM 0 HA ARG A 48 -11.946 -4.721 7.459 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -11.242 -7.279 6.365 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.713 -6.469 6.645 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -11.693 -6.149 8.857 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -11.161 -7.799 8.600 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -9.042 -5.626 8.620 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -9.726 -6.120 10.157 1.00 0.00 H new ATOM 0 HE ARG A 48 -8.404 -8.024 8.177 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -8.433 -6.784 11.342 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -8.270 -8.351 12.141 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -8.723 -10.181 9.196 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -8.433 -10.256 10.937 1.00 0.00 H new ATOM 791 N PRO A 49 -10.171 -3.133 7.038 1.00 0.00 N ATOM 792 CA PRO A 49 -9.175 -2.069 6.766 1.00 0.00 C ATOM 793 C PRO A 49 -7.754 -2.604 6.960 1.00 0.00 C ATOM 794 O PRO A 49 -7.515 -3.442 7.808 1.00 0.00 O ATOM 795 CB PRO A 49 -9.500 -1.001 7.806 1.00 0.00 C ATOM 796 CG PRO A 49 -10.174 -1.736 8.921 1.00 0.00 C ATOM 797 CD PRO A 49 -10.868 -2.927 8.312 1.00 0.00 C ATOM 0 HA PRO A 49 -9.220 -1.691 5.745 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -8.596 -0.501 8.153 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.151 -0.231 7.391 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.446 -2.055 9.667 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -10.891 -1.091 9.429 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -10.792 -3.804 8.954 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -11.930 -2.735 8.159 1.00 0.00 H new ATOM 805 N PRO A 50 -6.855 -2.099 6.160 1.00 0.00 N ATOM 806 CA PRO A 50 -5.437 -2.528 6.236 1.00 0.00 C ATOM 807 C PRO A 50 -4.767 -1.947 7.485 1.00 0.00 C ATOM 808 O PRO A 50 -3.628 -2.244 7.786 1.00 0.00 O ATOM 809 CB PRO A 50 -4.819 -1.944 4.968 1.00 0.00 C ATOM 810 CG PRO A 50 -5.688 -0.780 4.614 1.00 0.00 C ATOM 811 CD PRO A 50 -7.074 -1.089 5.119 1.00 0.00 C ATOM 0 HA PRO A 50 -5.320 -3.610 6.304 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -3.789 -1.630 5.139 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -4.798 -2.680 4.164 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -5.308 0.136 5.068 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -5.698 -0.621 3.536 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.560 -0.200 5.521 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.714 -1.469 4.322 1.00 0.00 H new ATOM 819 N THR A 51 -5.466 -1.122 8.215 1.00 0.00 N ATOM 820 CA THR A 51 -4.869 -0.522 9.444 1.00 0.00 C ATOM 821 C THR A 51 -4.482 -1.620 10.440 1.00 0.00 C ATOM 822 O THR A 51 -3.657 -1.419 11.309 1.00 0.00 O ATOM 823 CB THR A 51 -5.970 0.367 10.027 1.00 0.00 C ATOM 824 OG1 THR A 51 -7.239 -0.187 9.713 1.00 0.00 O ATOM 825 CG2 THR A 51 -5.863 1.773 9.433 1.00 0.00 C ATOM 0 H THR A 51 -6.425 -0.837 8.015 1.00 0.00 H new ATOM 0 HA THR A 51 -3.961 0.041 9.227 1.00 0.00 H new ATOM 0 HB THR A 51 -5.856 0.424 11.110 1.00 0.00 H new ATOM 0 HG1 THR A 51 -7.945 0.380 10.087 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.648 2.405 9.849 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.889 2.197 9.676 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.976 1.720 8.350 1.00 0.00 H new ATOM 833 N TYR A 52 -5.075 -2.777 10.326 1.00 0.00 N ATOM 834 CA TYR A 52 -4.742 -3.880 11.274 1.00 0.00 C ATOM 835 C TYR A 52 -3.416 -4.545 10.888 1.00 0.00 C ATOM 836 O TYR A 52 -2.492 -4.586 11.675 1.00 0.00 O ATOM 837 CB TYR A 52 -5.896 -4.874 11.143 1.00 0.00 C ATOM 838 CG TYR A 52 -6.596 -5.013 12.473 1.00 0.00 C ATOM 839 CD1 TYR A 52 -6.077 -5.869 13.451 1.00 0.00 C ATOM 840 CD2 TYR A 52 -7.764 -4.285 12.730 1.00 0.00 C ATOM 841 CE1 TYR A 52 -6.725 -5.998 14.685 1.00 0.00 C ATOM 842 CE2 TYR A 52 -8.412 -4.414 13.964 1.00 0.00 C ATOM 843 CZ TYR A 52 -7.893 -5.270 14.942 1.00 0.00 C ATOM 844 OH TYR A 52 -8.533 -5.397 16.158 1.00 0.00 O ATOM 0 H TYR A 52 -5.774 -3.007 9.620 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.623 -3.518 12.295 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -6.600 -4.532 10.384 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -5.520 -5.843 10.815 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -5.176 -6.430 13.253 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -8.165 -3.624 11.976 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.324 -6.659 15.439 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -9.313 -3.853 14.162 1.00 0.00 H new ATOM 0 HH TYR A 52 -9.327 -4.822 16.172 1.00 0.00 H new ATOM 854 N PRO A 53 -3.372 -5.050 9.684 1.00 0.00 N ATOM 855 CA PRO A 53 -2.149 -5.731 9.187 1.00 0.00 C ATOM 856 C PRO A 53 -1.039 -4.716 8.893 1.00 0.00 C ATOM 857 O PRO A 53 0.062 -5.079 8.528 1.00 0.00 O ATOM 858 CB PRO A 53 -2.617 -6.410 7.903 1.00 0.00 C ATOM 859 CG PRO A 53 -3.798 -5.611 7.449 1.00 0.00 C ATOM 860 CD PRO A 53 -4.445 -5.039 8.684 1.00 0.00 C ATOM 0 HA PRO A 53 -1.729 -6.430 9.910 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.830 -6.413 7.149 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -2.890 -7.450 8.084 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -3.488 -4.815 6.772 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -4.501 -6.239 6.901 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -4.817 -4.030 8.509 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -5.295 -5.641 9.004 1.00 0.00 H new ATOM 868 N THR A 54 -1.315 -3.450 9.045 1.00 0.00 N ATOM 869 CA THR A 54 -0.267 -2.424 8.768 1.00 0.00 C ATOM 870 C THR A 54 0.791 -2.430 9.877 1.00 0.00 C ATOM 871 O THR A 54 1.879 -1.916 9.711 1.00 0.00 O ATOM 872 CB THR A 54 -1.013 -1.089 8.747 1.00 0.00 C ATOM 873 OG1 THR A 54 -0.145 -0.073 8.261 1.00 0.00 O ATOM 874 CG2 THR A 54 -1.473 -0.736 10.161 1.00 0.00 C ATOM 0 H THR A 54 -2.217 -3.081 9.348 1.00 0.00 H new ATOM 0 HA THR A 54 0.256 -2.614 7.831 1.00 0.00 H new ATOM 0 HB THR A 54 -1.883 -1.168 8.095 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.621 0.784 8.245 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.004 0.216 10.144 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.137 -1.516 10.533 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.606 -0.655 10.816 1.00 0.00 H new ATOM 882 N LYS A 55 0.480 -3.004 11.008 1.00 0.00 N ATOM 883 CA LYS A 55 1.469 -3.037 12.124 1.00 0.00 C ATOM 884 C LYS A 55 2.594 -4.031 11.814 1.00 0.00 C ATOM 885 O LYS A 55 3.760 -3.740 11.998 1.00 0.00 O ATOM 886 CB LYS A 55 0.672 -3.494 13.345 1.00 0.00 C ATOM 887 CG LYS A 55 -0.597 -2.649 13.474 1.00 0.00 C ATOM 888 CD LYS A 55 -0.822 -2.283 14.942 1.00 0.00 C ATOM 889 CE LYS A 55 -1.005 -0.769 15.071 1.00 0.00 C ATOM 890 NZ LYS A 55 0.313 -0.262 15.544 1.00 0.00 N ATOM 0 H LYS A 55 -0.415 -3.451 11.207 1.00 0.00 H new ATOM 0 HA LYS A 55 1.941 -2.067 12.283 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.411 -4.548 13.248 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.279 -3.397 14.245 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.506 -1.744 12.873 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.455 -3.202 13.091 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.702 -2.800 15.325 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.027 -2.609 15.543 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.281 -0.322 14.116 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.798 -0.526 15.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.267 0.771 15.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.546 -0.700 16.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.047 -0.502 14.848 1.00 0.00 H new ATOM 904 N TYR A 56 2.254 -5.200 11.346 1.00 0.00 N ATOM 905 CA TYR A 56 3.305 -6.211 11.028 1.00 0.00 C ATOM 906 C TYR A 56 4.156 -5.736 9.846 1.00 0.00 C ATOM 907 O TYR A 56 5.363 -5.878 9.839 1.00 0.00 O ATOM 908 CB TYR A 56 2.533 -7.479 10.658 1.00 0.00 C ATOM 909 CG TYR A 56 3.456 -8.449 9.961 1.00 0.00 C ATOM 910 CD1 TYR A 56 4.444 -9.122 10.689 1.00 0.00 C ATOM 911 CD2 TYR A 56 3.322 -8.676 8.586 1.00 0.00 C ATOM 912 CE1 TYR A 56 5.299 -10.023 10.041 1.00 0.00 C ATOM 913 CE2 TYR A 56 4.176 -9.577 7.939 1.00 0.00 C ATOM 914 CZ TYR A 56 5.165 -10.250 8.666 1.00 0.00 C ATOM 915 OH TYR A 56 6.008 -11.137 8.029 1.00 0.00 O ATOM 0 H TYR A 56 1.295 -5.500 11.170 1.00 0.00 H new ATOM 0 HA TYR A 56 3.986 -6.376 11.863 1.00 0.00 H new ATOM 0 HB2 TYR A 56 2.117 -7.938 11.555 1.00 0.00 H new ATOM 0 HB3 TYR A 56 1.694 -7.229 10.009 1.00 0.00 H new ATOM 0 HD1 TYR A 56 4.547 -8.947 11.750 1.00 0.00 H new ATOM 0 HD2 TYR A 56 2.560 -8.156 8.025 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.062 -10.543 10.602 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.072 -9.753 6.879 1.00 0.00 H new ATOM 0 HH TYR A 56 5.780 -11.179 7.077 1.00 0.00 H new ATOM 925 N PHE A 57 3.534 -5.171 8.848 1.00 0.00 N ATOM 926 CA PHE A 57 4.305 -4.687 7.667 1.00 0.00 C ATOM 927 C PHE A 57 5.362 -3.671 8.109 1.00 0.00 C ATOM 928 O PHE A 57 6.484 -3.689 7.645 1.00 0.00 O ATOM 929 CB PHE A 57 3.259 -4.027 6.764 1.00 0.00 C ATOM 930 CG PHE A 57 3.924 -3.006 5.870 1.00 0.00 C ATOM 931 CD1 PHE A 57 4.905 -3.407 4.956 1.00 0.00 C ATOM 932 CD2 PHE A 57 3.557 -1.658 5.956 1.00 0.00 C ATOM 933 CE1 PHE A 57 5.520 -2.459 4.129 1.00 0.00 C ATOM 934 CE2 PHE A 57 4.172 -0.711 5.129 1.00 0.00 C ATOM 935 CZ PHE A 57 5.153 -1.112 4.215 1.00 0.00 C ATOM 0 H PHE A 57 2.526 -5.023 8.799 1.00 0.00 H new ATOM 0 HA PHE A 57 4.836 -5.489 7.155 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.759 -4.783 6.159 1.00 0.00 H new ATOM 0 HB3 PHE A 57 2.492 -3.547 7.372 1.00 0.00 H new ATOM 0 HD1 PHE A 57 5.188 -4.447 4.889 1.00 0.00 H new ATOM 0 HD2 PHE A 57 2.799 -1.349 6.661 1.00 0.00 H new ATOM 0 HE1 PHE A 57 6.278 -2.768 3.424 1.00 0.00 H new ATOM 0 HE2 PHE A 57 3.889 0.329 5.196 1.00 0.00 H new ATOM 0 HZ PHE A 57 5.627 -0.381 3.576 1.00 0.00 H new ATOM 945 N GLY A 58 5.011 -2.785 9.000 1.00 0.00 N ATOM 946 CA GLY A 58 5.995 -1.766 9.467 1.00 0.00 C ATOM 947 C GLY A 58 7.208 -2.462 10.091 1.00 0.00 C ATOM 948 O GLY A 58 8.327 -2.004 9.972 1.00 0.00 O ATOM 0 H GLY A 58 4.086 -2.722 9.425 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.312 -1.144 8.630 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.528 -1.105 10.197 1.00 0.00 H new ATOM 952 N CYS A 59 6.998 -3.561 10.760 1.00 0.00 N ATOM 953 CA CYS A 59 8.144 -4.278 11.391 1.00 0.00 C ATOM 954 C CYS A 59 9.160 -4.697 10.324 1.00 0.00 C ATOM 955 O CYS A 59 10.355 -4.672 10.545 1.00 0.00 O ATOM 956 CB CYS A 59 7.523 -5.508 12.053 1.00 0.00 C ATOM 957 SG CYS A 59 6.276 -4.983 13.255 1.00 0.00 S ATOM 0 H CYS A 59 6.085 -3.994 10.898 1.00 0.00 H new ATOM 0 HA CYS A 59 8.678 -3.654 12.108 1.00 0.00 H new ATOM 0 HB2 CYS A 59 7.068 -6.150 11.298 1.00 0.00 H new ATOM 0 HB3 CYS A 59 8.295 -6.096 12.548 1.00 0.00 H new ATOM 0 HG CYS A 59 5.249 -4.491 12.628 1.00 0.00 H new ATOM 963 N GLU A 60 8.693 -5.092 9.172 1.00 0.00 N ATOM 964 CA GLU A 60 9.628 -5.524 8.091 1.00 0.00 C ATOM 965 C GLU A 60 10.477 -4.347 7.593 1.00 0.00 C ATOM 966 O GLU A 60 11.587 -4.527 7.132 1.00 0.00 O ATOM 967 CB GLU A 60 8.722 -6.039 6.971 1.00 0.00 C ATOM 968 CG GLU A 60 9.476 -7.081 6.143 1.00 0.00 C ATOM 969 CD GLU A 60 8.473 -8.029 5.481 1.00 0.00 C ATOM 970 OE1 GLU A 60 7.315 -7.992 5.859 1.00 0.00 O ATOM 971 OE2 GLU A 60 8.883 -8.775 4.607 1.00 0.00 O ATOM 0 H GLU A 60 7.703 -5.135 8.931 1.00 0.00 H new ATOM 0 HA GLU A 60 10.328 -6.282 8.441 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.818 -6.479 7.393 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.407 -5.212 6.335 1.00 0.00 H new ATOM 0 HG2 GLU A 60 10.083 -6.588 5.383 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.158 -7.643 6.780 1.00 0.00 H new ATOM 978 N LEU A 61 9.967 -3.148 7.672 1.00 0.00 N ATOM 979 CA LEU A 61 10.757 -1.973 7.188 1.00 0.00 C ATOM 980 C LEU A 61 11.309 -1.159 8.365 1.00 0.00 C ATOM 981 O LEU A 61 11.776 -0.050 8.194 1.00 0.00 O ATOM 982 CB LEU A 61 9.784 -1.126 6.355 1.00 0.00 C ATOM 983 CG LEU A 61 8.394 -1.124 6.998 1.00 0.00 C ATOM 984 CD1 LEU A 61 7.890 0.315 7.131 1.00 0.00 C ATOM 985 CD2 LEU A 61 7.427 -1.920 6.116 1.00 0.00 C ATOM 0 H LEU A 61 9.044 -2.929 8.048 1.00 0.00 H new ATOM 0 HA LEU A 61 11.617 -2.292 6.600 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.157 -0.105 6.276 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.722 -1.522 5.341 1.00 0.00 H new ATOM 0 HG LEU A 61 8.452 -1.580 7.986 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.901 0.313 7.589 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.578 0.885 7.755 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.832 0.773 6.144 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.436 -1.921 6.571 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.373 -1.461 5.129 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.783 -2.946 6.020 1.00 0.00 H new ATOM 997 N GLY A 62 11.264 -1.694 9.555 1.00 0.00 N ATOM 998 CA GLY A 62 11.794 -0.940 10.730 1.00 0.00 C ATOM 999 C GLY A 62 10.935 0.304 10.976 1.00 0.00 C ATOM 1000 O GLY A 62 11.227 1.115 11.833 1.00 0.00 O ATOM 0 H GLY A 62 10.885 -2.617 9.765 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.790 -1.577 11.615 1.00 0.00 H new ATOM 0 HA3 GLY A 62 12.829 -0.649 10.551 1.00 0.00 H new ATOM 1004 N ALA A 63 9.874 0.454 10.233 1.00 0.00 N ATOM 1005 CA ALA A 63 8.984 1.635 10.415 1.00 0.00 C ATOM 1006 C ALA A 63 7.609 1.156 10.880 1.00 0.00 C ATOM 1007 O ALA A 63 7.294 -0.012 10.780 1.00 0.00 O ATOM 1008 CB ALA A 63 8.897 2.282 9.036 1.00 0.00 C ATOM 0 H ALA A 63 9.583 -0.196 9.502 1.00 0.00 H new ATOM 0 HA ALA A 63 9.355 2.339 11.160 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.256 3.162 9.087 1.00 0.00 H new ATOM 0 HB2 ALA A 63 9.894 2.577 8.709 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.478 1.569 8.325 1.00 0.00 H new ATOM 1014 N GLN A 64 6.786 2.026 11.397 1.00 0.00 N ATOM 1015 CA GLN A 64 5.458 1.571 11.860 1.00 0.00 C ATOM 1016 C GLN A 64 4.362 2.155 10.975 1.00 0.00 C ATOM 1017 O GLN A 64 4.316 1.918 9.784 1.00 0.00 O ATOM 1018 CB GLN A 64 5.344 2.096 13.290 1.00 0.00 C ATOM 1019 CG GLN A 64 6.387 1.408 14.173 1.00 0.00 C ATOM 1020 CD GLN A 64 6.774 2.338 15.323 1.00 0.00 C ATOM 1021 OE1 GLN A 64 5.920 2.887 15.991 1.00 0.00 O ATOM 1022 NE2 GLN A 64 8.037 2.540 15.586 1.00 0.00 N ATOM 0 H GLN A 64 6.978 3.021 11.516 1.00 0.00 H new ATOM 0 HA GLN A 64 5.348 0.487 11.815 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.495 3.175 13.305 1.00 0.00 H new ATOM 0 HB3 GLN A 64 4.343 1.909 13.678 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.987 0.473 14.566 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.268 1.155 13.584 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.755 2.080 15.026 1.00 0.00 H new ATOM 0 HE22 GLN A 64 8.306 3.158 16.352 1.00 0.00 H new ATOM 1031 N THR A 65 3.473 2.904 11.550 1.00 0.00 N ATOM 1032 CA THR A 65 2.364 3.496 10.748 1.00 0.00 C ATOM 1033 C THR A 65 1.916 4.837 11.331 1.00 0.00 C ATOM 1034 O THR A 65 2.295 5.216 12.421 1.00 0.00 O ATOM 1035 CB THR A 65 1.226 2.478 10.811 1.00 0.00 C ATOM 1036 OG1 THR A 65 0.368 2.795 11.898 1.00 0.00 O ATOM 1037 CG2 THR A 65 1.792 1.068 10.999 1.00 0.00 C ATOM 0 H THR A 65 3.462 3.136 12.543 1.00 0.00 H new ATOM 0 HA THR A 65 2.678 3.695 9.723 1.00 0.00 H new ATOM 0 HB THR A 65 0.664 2.513 9.878 1.00 0.00 H new ATOM 0 HG1 THR A 65 -0.556 2.861 11.577 1.00 0.00 H new ATOM 0 HG21 THR A 65 0.973 0.350 11.043 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.445 0.823 10.161 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.362 1.025 11.927 1.00 0.00 H new ATOM 1045 N GLN A 66 1.083 5.545 10.615 1.00 0.00 N ATOM 1046 CA GLN A 66 0.569 6.851 11.122 1.00 0.00 C ATOM 1047 C GLN A 66 -0.861 7.037 10.617 1.00 0.00 C ATOM 1048 O GLN A 66 -1.176 6.693 9.494 1.00 0.00 O ATOM 1049 CB GLN A 66 1.499 7.910 10.529 1.00 0.00 C ATOM 1050 CG GLN A 66 2.347 8.526 11.643 1.00 0.00 C ATOM 1051 CD GLN A 66 1.718 9.845 12.096 1.00 0.00 C ATOM 1052 OE1 GLN A 66 1.507 10.737 11.297 1.00 0.00 O ATOM 1053 NE2 GLN A 66 1.407 10.008 13.352 1.00 0.00 N ATOM 0 H GLN A 66 0.735 5.273 9.696 1.00 0.00 H new ATOM 0 HA GLN A 66 0.552 6.914 12.210 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.143 7.461 9.773 1.00 0.00 H new ATOM 0 HB3 GLN A 66 0.915 8.684 10.031 1.00 0.00 H new ATOM 0 HG2 GLN A 66 2.417 7.837 12.484 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.363 8.699 11.288 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.584 9.260 14.022 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.987 10.884 13.664 1.00 0.00 H new ATOM 1062 N PHE A 67 -1.744 7.546 11.431 1.00 0.00 N ATOM 1063 CA PHE A 67 -3.150 7.700 10.964 1.00 0.00 C ATOM 1064 C PHE A 67 -3.677 9.117 11.136 1.00 0.00 C ATOM 1065 O PHE A 67 -3.376 9.796 12.096 1.00 0.00 O ATOM 1066 CB PHE A 67 -3.934 6.706 11.810 1.00 0.00 C ATOM 1067 CG PHE A 67 -3.751 5.369 11.167 1.00 0.00 C ATOM 1068 CD1 PHE A 67 -4.175 5.197 9.854 1.00 0.00 C ATOM 1069 CD2 PHE A 67 -3.117 4.326 11.848 1.00 0.00 C ATOM 1070 CE1 PHE A 67 -3.980 3.985 9.211 1.00 0.00 C ATOM 1071 CE2 PHE A 67 -2.908 3.105 11.200 1.00 0.00 C ATOM 1072 CZ PHE A 67 -3.340 2.932 9.879 1.00 0.00 C ATOM 0 H PHE A 67 -1.558 7.857 12.384 1.00 0.00 H new ATOM 0 HA PHE A 67 -3.240 7.509 9.895 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.568 6.697 12.837 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.989 6.977 11.850 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -4.658 6.011 9.333 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.791 4.462 12.868 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.321 3.852 8.195 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -2.414 2.296 11.718 1.00 0.00 H new ATOM 0 HZ PHE A 67 -3.180 1.990 9.376 1.00 0.00 H new ATOM 1082 N ASP A 68 -4.493 9.558 10.214 1.00 0.00 N ATOM 1083 CA ASP A 68 -5.071 10.921 10.339 1.00 0.00 C ATOM 1084 C ASP A 68 -6.595 10.813 10.374 1.00 0.00 C ATOM 1085 O ASP A 68 -7.217 10.361 9.434 1.00 0.00 O ATOM 1086 CB ASP A 68 -4.604 11.672 9.093 1.00 0.00 C ATOM 1087 CG ASP A 68 -3.082 11.566 8.971 1.00 0.00 C ATOM 1088 OD1 ASP A 68 -2.578 10.458 9.039 1.00 0.00 O ATOM 1089 OD2 ASP A 68 -2.448 12.597 8.815 1.00 0.00 O ATOM 0 H ASP A 68 -4.780 9.035 9.387 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.758 11.435 11.247 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.080 11.256 8.205 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.902 12.719 9.154 1.00 0.00 H new ATOM 1094 N VAL A 69 -7.203 11.218 11.455 1.00 0.00 N ATOM 1095 CA VAL A 69 -8.687 11.129 11.545 1.00 0.00 C ATOM 1096 C VAL A 69 -9.313 12.408 10.997 1.00 0.00 C ATOM 1097 O VAL A 69 -10.247 12.370 10.221 1.00 0.00 O ATOM 1098 CB VAL A 69 -8.981 10.963 13.035 1.00 0.00 C ATOM 1099 CG1 VAL A 69 -8.143 9.809 13.587 1.00 0.00 C ATOM 1100 CG2 VAL A 69 -8.622 12.253 13.776 1.00 0.00 C ATOM 0 H VAL A 69 -6.738 11.605 12.276 1.00 0.00 H new ATOM 0 HA VAL A 69 -9.099 10.304 10.964 1.00 0.00 H new ATOM 0 HB VAL A 69 -10.040 10.749 13.176 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.349 9.686 14.650 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -8.397 8.890 13.059 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.085 10.028 13.445 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.832 12.133 14.839 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.563 12.469 13.638 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.215 13.077 13.380 1.00 0.00 H new ATOM 1110 N LYS A 70 -8.791 13.542 11.372 1.00 0.00 N ATOM 1111 CA LYS A 70 -9.345 14.816 10.843 1.00 0.00 C ATOM 1112 C LYS A 70 -8.957 14.949 9.371 1.00 0.00 C ATOM 1113 O LYS A 70 -9.373 15.861 8.683 1.00 0.00 O ATOM 1114 CB LYS A 70 -8.688 15.917 11.679 1.00 0.00 C ATOM 1115 CG LYS A 70 -9.355 17.259 11.370 1.00 0.00 C ATOM 1116 CD LYS A 70 -10.331 17.615 12.493 1.00 0.00 C ATOM 1117 CE LYS A 70 -11.698 16.992 12.200 1.00 0.00 C ATOM 1118 NZ LYS A 70 -12.150 17.636 10.936 1.00 0.00 N ATOM 0 H LYS A 70 -8.008 13.641 12.019 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.432 14.868 10.906 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.782 15.688 12.740 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -7.622 15.969 11.458 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.599 18.038 11.270 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -9.884 17.204 10.418 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.951 17.251 13.448 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.424 18.698 12.578 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -11.623 15.910 12.087 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.400 17.180 13.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -13.180 17.778 10.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -11.677 18.556 10.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.910 17.025 10.130 1.00 0.00 H new ATOM 1132 N ASN A 71 -8.159 14.034 8.884 1.00 0.00 N ATOM 1133 CA ASN A 71 -7.735 14.090 7.460 1.00 0.00 C ATOM 1134 C ASN A 71 -8.156 12.811 6.728 1.00 0.00 C ATOM 1135 O ASN A 71 -8.318 12.810 5.524 1.00 0.00 O ATOM 1136 CB ASN A 71 -6.210 14.205 7.498 1.00 0.00 C ATOM 1137 CG ASN A 71 -5.796 15.172 8.610 1.00 0.00 C ATOM 1138 OD1 ASN A 71 -5.228 14.766 9.604 1.00 0.00 O ATOM 1139 ND2 ASN A 71 -6.060 16.444 8.482 1.00 0.00 N ATOM 0 H ASN A 71 -7.783 13.249 9.416 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.193 14.925 6.931 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -5.765 13.225 7.670 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.838 14.559 6.537 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -5.789 17.098 9.217 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -6.537 16.784 7.647 1.00 0.00 H new ATOM 1146 N ASP A 72 -8.333 11.720 7.437 1.00 0.00 N ATOM 1147 CA ASP A 72 -8.745 10.452 6.759 1.00 0.00 C ATOM 1148 C ASP A 72 -7.596 9.928 5.907 1.00 0.00 C ATOM 1149 O ASP A 72 -7.778 9.113 5.025 1.00 0.00 O ATOM 1150 CB ASP A 72 -9.895 10.851 5.856 1.00 0.00 C ATOM 1151 CG ASP A 72 -10.847 11.783 6.609 1.00 0.00 C ATOM 1152 OD1 ASP A 72 -11.458 11.331 7.563 1.00 0.00 O ATOM 1153 OD2 ASP A 72 -10.951 12.934 6.217 1.00 0.00 O ATOM 0 H ASP A 72 -8.211 11.654 8.448 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.020 9.674 7.471 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -9.513 11.349 4.965 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -10.431 9.963 5.520 1.00 0.00 H new ATOM 1158 N ARG A 73 -6.420 10.401 6.162 1.00 0.00 N ATOM 1159 CA ARG A 73 -5.244 9.951 5.368 1.00 0.00 C ATOM 1160 C ARG A 73 -4.296 9.168 6.266 1.00 0.00 C ATOM 1161 O ARG A 73 -3.938 9.604 7.341 1.00 0.00 O ATOM 1162 CB ARG A 73 -4.581 11.237 4.872 1.00 0.00 C ATOM 1163 CG ARG A 73 -4.002 11.006 3.476 1.00 0.00 C ATOM 1164 CD ARG A 73 -4.957 11.578 2.425 1.00 0.00 C ATOM 1165 NE ARG A 73 -4.164 12.614 1.709 1.00 0.00 N ATOM 1166 CZ ARG A 73 -4.746 13.401 0.845 1.00 0.00 C ATOM 1167 NH1 ARG A 73 -6.047 13.486 0.814 1.00 0.00 N ATOM 1168 NH2 ARG A 73 -4.026 14.101 0.011 1.00 0.00 N ATOM 0 H ARG A 73 -6.215 11.085 6.890 1.00 0.00 H new ATOM 0 HA ARG A 73 -5.520 9.299 4.539 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.309 12.048 4.846 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.791 11.540 5.559 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.025 11.482 3.393 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.852 9.940 3.305 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.302 10.802 1.741 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.843 12.010 2.890 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.165 12.709 1.893 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.610 12.938 1.465 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -6.502 14.101 0.139 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -3.009 14.033 0.034 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.481 14.716 -0.664 1.00 0.00 H new ATOM 1182 N TYR A 74 -3.897 8.006 5.840 1.00 0.00 N ATOM 1183 CA TYR A 74 -2.987 7.187 6.681 1.00 0.00 C ATOM 1184 C TYR A 74 -1.615 7.058 6.018 1.00 0.00 C ATOM 1185 O TYR A 74 -1.499 6.709 4.859 1.00 0.00 O ATOM 1186 CB TYR A 74 -3.678 5.829 6.789 1.00 0.00 C ATOM 1187 CG TYR A 74 -5.161 6.035 7.028 1.00 0.00 C ATOM 1188 CD1 TYR A 74 -5.617 7.186 7.690 1.00 0.00 C ATOM 1189 CD2 TYR A 74 -6.082 5.079 6.582 1.00 0.00 C ATOM 1190 CE1 TYR A 74 -6.987 7.379 7.904 1.00 0.00 C ATOM 1191 CE2 TYR A 74 -7.452 5.272 6.794 1.00 0.00 C ATOM 1192 CZ TYR A 74 -7.905 6.423 7.453 1.00 0.00 C ATOM 1193 OH TYR A 74 -9.257 6.612 7.662 1.00 0.00 O ATOM 0 H TYR A 74 -4.161 7.588 4.948 1.00 0.00 H new ATOM 0 HA TYR A 74 -2.810 7.632 7.660 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -3.522 5.256 5.875 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -3.244 5.252 7.605 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -4.909 7.925 8.035 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.735 4.192 6.074 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.335 8.264 8.416 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.161 4.533 6.449 1.00 0.00 H new ATOM 0 HH TYR A 74 -9.755 5.856 7.286 1.00 0.00 H new ATOM 1203 N ILE A 75 -0.577 7.343 6.751 1.00 0.00 N ATOM 1204 CA ILE A 75 0.798 7.248 6.188 1.00 0.00 C ATOM 1205 C ILE A 75 1.654 6.337 7.068 1.00 0.00 C ATOM 1206 O ILE A 75 1.448 6.247 8.260 1.00 0.00 O ATOM 1207 CB ILE A 75 1.338 8.678 6.205 1.00 0.00 C ATOM 1208 CG1 ILE A 75 2.838 8.659 5.895 1.00 0.00 C ATOM 1209 CG2 ILE A 75 1.113 9.293 7.587 1.00 0.00 C ATOM 1210 CD1 ILE A 75 3.433 10.042 6.168 1.00 0.00 C ATOM 0 H ILE A 75 -0.622 7.641 7.726 1.00 0.00 H new ATOM 0 HA ILE A 75 0.809 6.828 5.182 1.00 0.00 H new ATOM 0 HB ILE A 75 0.817 9.272 5.454 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.337 7.909 6.508 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.002 8.380 4.854 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.498 10.313 7.599 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.046 9.306 7.810 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.634 8.700 8.338 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.500 10.029 5.948 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.941 10.781 5.536 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.282 10.303 7.216 1.00 0.00 H new ATOM 1222 N VAL A 76 2.610 5.660 6.498 1.00 0.00 N ATOM 1223 CA VAL A 76 3.464 4.761 7.318 1.00 0.00 C ATOM 1224 C VAL A 76 4.885 5.312 7.350 1.00 0.00 C ATOM 1225 O VAL A 76 5.411 5.760 6.350 1.00 0.00 O ATOM 1226 CB VAL A 76 3.424 3.406 6.611 1.00 0.00 C ATOM 1227 CG1 VAL A 76 3.661 3.606 5.113 1.00 0.00 C ATOM 1228 CG2 VAL A 76 4.515 2.500 7.183 1.00 0.00 C ATOM 0 H VAL A 76 2.836 5.690 5.504 1.00 0.00 H new ATOM 0 HA VAL A 76 3.120 4.678 8.349 1.00 0.00 H new ATOM 0 HB VAL A 76 2.449 2.943 6.767 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.633 2.640 4.608 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.884 4.252 4.705 1.00 0.00 H new ATOM 0 HG13 VAL A 76 4.636 4.068 4.957 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.487 1.534 6.679 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.490 2.962 7.028 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.347 2.358 8.251 1.00 0.00 H new ATOM 1238 N ASN A 77 5.506 5.302 8.492 1.00 0.00 N ATOM 1239 CA ASN A 77 6.887 5.849 8.583 1.00 0.00 C ATOM 1240 C ASN A 77 7.833 5.058 7.678 1.00 0.00 C ATOM 1241 O ASN A 77 7.724 3.857 7.546 1.00 0.00 O ATOM 1242 CB ASN A 77 7.272 5.699 10.058 1.00 0.00 C ATOM 1243 CG ASN A 77 8.766 5.396 10.184 1.00 0.00 C ATOM 1244 OD1 ASN A 77 9.574 5.949 9.463 1.00 0.00 O ATOM 1245 ND2 ASN A 77 9.171 4.532 11.075 1.00 0.00 N ATOM 0 H ASN A 77 5.121 4.941 9.364 1.00 0.00 H new ATOM 0 HA ASN A 77 6.948 6.887 8.255 1.00 0.00 H new ATOM 0 HB2 ASN A 77 7.032 6.614 10.599 1.00 0.00 H new ATOM 0 HB3 ASN A 77 6.691 4.897 10.514 1.00 0.00 H new ATOM 0 HD21 ASN A 77 10.165 4.321 11.166 1.00 0.00 H new ATOM 0 HD22 ASN A 77 8.494 4.068 11.680 1.00 0.00 H new ATOM 1252 N GLY A 78 8.755 5.731 7.048 1.00 0.00 N ATOM 1253 CA GLY A 78 9.710 5.025 6.150 1.00 0.00 C ATOM 1254 C GLY A 78 9.405 5.390 4.700 1.00 0.00 C ATOM 1255 O GLY A 78 8.262 5.510 4.306 1.00 0.00 O ATOM 0 H GLY A 78 8.888 6.740 7.116 1.00 0.00 H new ATOM 0 HA2 GLY A 78 10.734 5.303 6.399 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.629 3.947 6.290 1.00 0.00 H new ATOM 1259 N SER A 79 10.418 5.565 3.899 1.00 0.00 N ATOM 1260 CA SER A 79 10.176 5.918 2.473 1.00 0.00 C ATOM 1261 C SER A 79 10.241 4.664 1.606 1.00 0.00 C ATOM 1262 O SER A 79 11.231 3.960 1.581 1.00 0.00 O ATOM 1263 CB SER A 79 11.292 6.885 2.101 1.00 0.00 C ATOM 1264 OG SER A 79 12.503 6.161 1.925 1.00 0.00 O ATOM 0 H SER A 79 11.398 5.479 4.168 1.00 0.00 H new ATOM 0 HA SER A 79 9.192 6.362 2.321 1.00 0.00 H new ATOM 0 HB2 SER A 79 11.037 7.417 1.185 1.00 0.00 H new ATOM 0 HB3 SER A 79 11.414 7.635 2.882 1.00 0.00 H new ATOM 0 HG SER A 79 12.347 5.212 2.115 1.00 0.00 H new ATOM 1270 N HIS A 80 9.190 4.381 0.895 1.00 0.00 N ATOM 1271 CA HIS A 80 9.180 3.168 0.025 1.00 0.00 C ATOM 1272 C HIS A 80 8.441 3.461 -1.283 1.00 0.00 C ATOM 1273 O HIS A 80 7.634 4.366 -1.363 1.00 0.00 O ATOM 1274 CB HIS A 80 8.438 2.091 0.826 1.00 0.00 C ATOM 1275 CG HIS A 80 8.514 2.399 2.299 1.00 0.00 C ATOM 1276 ND1 HIS A 80 7.404 2.789 3.029 1.00 0.00 N ATOM 1277 CD2 HIS A 80 9.562 2.387 3.186 1.00 0.00 C ATOM 1278 CE1 HIS A 80 7.804 2.998 4.296 1.00 0.00 C ATOM 1279 NE2 HIS A 80 9.110 2.766 4.448 1.00 0.00 N ATOM 0 H HIS A 80 8.334 4.936 0.876 1.00 0.00 H new ATOM 0 HA HIS A 80 10.189 2.851 -0.238 1.00 0.00 H new ATOM 0 HB2 HIS A 80 7.396 2.044 0.509 1.00 0.00 H new ATOM 0 HB3 HIS A 80 8.876 1.113 0.628 1.00 0.00 H new ATOM 0 HD2 HIS A 80 10.581 2.124 2.943 1.00 0.00 H new ATOM 0 HE1 HIS A 80 7.148 3.315 5.094 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.659 2.849 5.304 1.00 0.00 H new ATOM 1287 N GLU A 81 8.702 2.694 -2.303 1.00 0.00 N ATOM 1288 CA GLU A 81 8.005 2.917 -3.602 1.00 0.00 C ATOM 1289 C GLU A 81 6.921 1.852 -3.792 1.00 0.00 C ATOM 1290 O GLU A 81 6.970 0.795 -3.195 1.00 0.00 O ATOM 1291 CB GLU A 81 9.097 2.783 -4.667 1.00 0.00 C ATOM 1292 CG GLU A 81 8.488 2.281 -5.978 1.00 0.00 C ATOM 1293 CD GLU A 81 9.336 2.768 -7.155 1.00 0.00 C ATOM 1294 OE1 GLU A 81 10.549 2.712 -7.048 1.00 0.00 O ATOM 1295 OE2 GLU A 81 8.757 3.188 -8.143 1.00 0.00 O ATOM 0 H GLU A 81 9.368 1.921 -2.295 1.00 0.00 H new ATOM 0 HA GLU A 81 7.513 3.888 -3.656 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.582 3.746 -4.826 1.00 0.00 H new ATOM 0 HB3 GLU A 81 9.867 2.091 -4.325 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.441 1.192 -5.976 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.465 2.644 -6.078 1.00 0.00 H new ATOM 1302 N ALA A 82 5.944 2.118 -4.614 1.00 0.00 N ATOM 1303 CA ALA A 82 4.867 1.109 -4.827 1.00 0.00 C ATOM 1304 C ALA A 82 5.487 -0.243 -5.186 1.00 0.00 C ATOM 1305 O ALA A 82 5.091 -1.272 -4.677 1.00 0.00 O ATOM 1306 CB ALA A 82 4.041 1.651 -5.994 1.00 0.00 C ATOM 0 H ALA A 82 5.844 2.984 -5.144 1.00 0.00 H new ATOM 0 HA ALA A 82 4.256 0.955 -3.937 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.225 0.962 -6.213 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.632 2.626 -5.728 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.677 1.752 -6.874 1.00 0.00 H new ATOM 1312 N ASN A 83 6.465 -0.245 -6.049 1.00 0.00 N ATOM 1313 CA ASN A 83 7.119 -1.530 -6.428 1.00 0.00 C ATOM 1314 C ASN A 83 7.831 -2.125 -5.212 1.00 0.00 C ATOM 1315 O ASN A 83 7.907 -3.327 -5.047 1.00 0.00 O ATOM 1316 CB ASN A 83 8.128 -1.159 -7.516 1.00 0.00 C ATOM 1317 CG ASN A 83 8.865 -2.417 -7.979 1.00 0.00 C ATOM 1318 OD1 ASN A 83 9.790 -2.866 -7.330 1.00 0.00 O ATOM 1319 ND2 ASN A 83 8.493 -3.009 -9.080 1.00 0.00 N ATOM 0 H ASN A 83 6.839 0.586 -6.508 1.00 0.00 H new ATOM 0 HA ASN A 83 6.405 -2.274 -6.780 1.00 0.00 H new ATOM 0 HB2 ASN A 83 7.616 -0.694 -8.358 1.00 0.00 H new ATOM 0 HB3 ASN A 83 8.840 -0.428 -7.133 1.00 0.00 H new ATOM 0 HD21 ASN A 83 8.978 -3.849 -9.397 1.00 0.00 H new ATOM 0 HD22 ASN A 83 7.717 -2.632 -9.624 1.00 0.00 H new ATOM 1326 N LYS A 84 8.351 -1.286 -4.360 1.00 0.00 N ATOM 1327 CA LYS A 84 9.060 -1.787 -3.148 1.00 0.00 C ATOM 1328 C LYS A 84 8.097 -2.583 -2.263 1.00 0.00 C ATOM 1329 O LYS A 84 8.463 -3.574 -1.664 1.00 0.00 O ATOM 1330 CB LYS A 84 9.542 -0.530 -2.423 1.00 0.00 C ATOM 1331 CG LYS A 84 10.747 -0.877 -1.546 1.00 0.00 C ATOM 1332 CD LYS A 84 10.267 -1.568 -0.269 1.00 0.00 C ATOM 1333 CE LYS A 84 11.289 -1.344 0.848 1.00 0.00 C ATOM 1334 NZ LYS A 84 12.167 -2.547 0.812 1.00 0.00 N ATOM 0 H LYS A 84 8.316 -0.271 -4.451 1.00 0.00 H new ATOM 0 HA LYS A 84 9.885 -2.454 -3.398 1.00 0.00 H new ATOM 0 HB2 LYS A 84 9.815 0.238 -3.147 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.739 -0.120 -1.810 1.00 0.00 H new ATOM 0 HG2 LYS A 84 11.430 -1.529 -2.090 1.00 0.00 H new ATOM 0 HG3 LYS A 84 11.301 0.028 -1.296 1.00 0.00 H new ATOM 0 HD2 LYS A 84 9.296 -1.173 0.028 1.00 0.00 H new ATOM 0 HD3 LYS A 84 10.136 -2.635 -0.448 1.00 0.00 H new ATOM 0 HE2 LYS A 84 11.862 -0.432 0.682 1.00 0.00 H new ATOM 0 HE3 LYS A 84 10.799 -1.241 1.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 12.895 -2.468 1.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 11.595 -3.399 0.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 12.625 -2.615 -0.119 1.00 0.00 H new ATOM 1348 N LEU A 85 6.866 -2.156 -2.176 1.00 0.00 N ATOM 1349 CA LEU A 85 5.883 -2.889 -1.329 1.00 0.00 C ATOM 1350 C LEU A 85 5.732 -4.326 -1.832 1.00 0.00 C ATOM 1351 O LEU A 85 5.723 -5.267 -1.063 1.00 0.00 O ATOM 1352 CB LEU A 85 4.570 -2.122 -1.489 1.00 0.00 C ATOM 1353 CG LEU A 85 4.799 -0.643 -1.174 1.00 0.00 C ATOM 1354 CD1 LEU A 85 3.451 0.052 -0.972 1.00 0.00 C ATOM 1355 CD2 LEU A 85 5.634 -0.516 0.101 1.00 0.00 C ATOM 0 H LEU A 85 6.500 -1.333 -2.654 1.00 0.00 H new ATOM 0 HA LEU A 85 6.193 -2.945 -0.286 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.193 -2.234 -2.506 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.813 -2.534 -0.822 1.00 0.00 H new ATOM 0 HG LEU A 85 5.328 -0.174 -2.003 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.615 1.106 -0.748 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.856 -0.037 -1.881 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.920 -0.417 -0.143 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.797 0.538 0.326 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.106 -0.986 0.930 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.595 -1.009 -0.043 1.00 0.00 H new ATOM 1367 N GLN A 86 5.623 -4.504 -3.120 1.00 0.00 N ATOM 1368 CA GLN A 86 5.484 -5.880 -3.672 1.00 0.00 C ATOM 1369 C GLN A 86 6.779 -6.663 -3.441 1.00 0.00 C ATOM 1370 O GLN A 86 6.763 -7.848 -3.174 1.00 0.00 O ATOM 1371 CB GLN A 86 5.231 -5.687 -5.167 1.00 0.00 C ATOM 1372 CG GLN A 86 4.613 -6.960 -5.750 1.00 0.00 C ATOM 1373 CD GLN A 86 3.331 -7.300 -4.989 1.00 0.00 C ATOM 1374 OE1 GLN A 86 3.340 -8.123 -4.095 1.00 0.00 O ATOM 1375 NE2 GLN A 86 2.218 -6.695 -5.306 1.00 0.00 N ATOM 0 H GLN A 86 5.624 -3.756 -3.813 1.00 0.00 H new ATOM 0 HA GLN A 86 4.679 -6.441 -3.197 1.00 0.00 H new ATOM 0 HB2 GLN A 86 4.564 -4.840 -5.327 1.00 0.00 H new ATOM 0 HB3 GLN A 86 6.166 -5.457 -5.678 1.00 0.00 H new ATOM 0 HG2 GLN A 86 4.394 -6.819 -6.808 1.00 0.00 H new ATOM 0 HG3 GLN A 86 5.321 -7.786 -5.679 1.00 0.00 H new ATOM 0 HE21 GLN A 86 2.209 -6.004 -6.056 1.00 0.00 H new ATOM 0 HE22 GLN A 86 1.358 -6.913 -4.803 1.00 0.00 H new ATOM 1384 N ASP A 87 7.902 -6.004 -3.541 1.00 0.00 N ATOM 1385 CA ASP A 87 9.200 -6.702 -3.325 1.00 0.00 C ATOM 1386 C ASP A 87 9.294 -7.208 -1.883 1.00 0.00 C ATOM 1387 O ASP A 87 9.834 -8.264 -1.620 1.00 0.00 O ATOM 1388 CB ASP A 87 10.270 -5.641 -3.592 1.00 0.00 C ATOM 1389 CG ASP A 87 10.481 -5.497 -5.100 1.00 0.00 C ATOM 1390 OD1 ASP A 87 9.572 -5.026 -5.764 1.00 0.00 O ATOM 1391 OD2 ASP A 87 11.548 -5.860 -5.567 1.00 0.00 O ATOM 0 H ASP A 87 7.976 -5.011 -3.763 1.00 0.00 H new ATOM 0 HA ASP A 87 9.316 -7.570 -3.974 1.00 0.00 H new ATOM 0 HB2 ASP A 87 9.965 -4.686 -3.164 1.00 0.00 H new ATOM 0 HB3 ASP A 87 11.205 -5.923 -3.109 1.00 0.00 H new