USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 610 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 62 SER OG : rot 167:sc= 1.2 USER MOD Set 1.2: A 69 THR OG1 : rot 180:sc= 0.976 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 60:sc= -0.0391 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0.642 K(o=0.64,f=-0.0015) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 156:sc= 0.482 (180deg=-0.0718) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.297 K(o=-0.3,f=-2!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -118:sc= 1.19 (180deg=0.169) USER MOD Single : A 84 GLN : amide:sc= -1.37 K(o=-1.4,f=-4!) USER MOD Single : A 86 THR OG1 : rot 160:sc= -2.22 USER MOD Single : A 89 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.17) USER MOD Single : A 90 HIS : no HD1:sc= -1.91 K(o=-1.9,f=-2.9!) USER MOD Single : A 93 HIS :FLIP no HD1:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc= -0.0198 X(o=-0.02,f=0) USER MOD ----------------------------------------------------------------- ATOM 380 N LYS A 31 6.100 -5.278 -10.304 1.00 0.00 N ATOM 381 CA LYS A 31 6.639 -4.555 -9.121 1.00 0.00 C ATOM 382 C LYS A 31 6.136 -3.118 -9.211 1.00 0.00 C ATOM 383 O LYS A 31 6.880 -2.202 -9.502 1.00 0.00 O ATOM 384 CB LYS A 31 8.161 -4.609 -9.269 1.00 0.00 C ATOM 385 CG LYS A 31 8.819 -4.270 -7.928 1.00 0.00 C ATOM 386 CD LYS A 31 9.925 -5.286 -7.626 1.00 0.00 C ATOM 387 CE LYS A 31 11.116 -4.572 -6.983 1.00 0.00 C ATOM 388 NZ LYS A 31 11.542 -5.461 -5.867 1.00 0.00 N ATOM 0 HA LYS A 31 6.335 -4.979 -8.164 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.470 -5.602 -9.597 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.487 -3.905 -10.034 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.235 -3.263 -7.960 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.074 -4.282 -7.133 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.549 -6.061 -6.958 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.238 -5.782 -8.545 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.923 -4.426 -7.701 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.833 -3.585 -6.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.356 -5.038 -5.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.756 -5.577 -5.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.812 -6.391 -6.247 1.00 0.00 H new ATOM 402 N ILE A 32 4.861 -2.929 -9.015 1.00 0.00 N ATOM 403 CA ILE A 32 4.280 -1.569 -9.144 1.00 0.00 C ATOM 404 C ILE A 32 4.960 -0.595 -8.171 1.00 0.00 C ATOM 405 O ILE A 32 4.759 -0.666 -6.973 1.00 0.00 O ATOM 406 CB ILE A 32 2.795 -1.735 -8.796 1.00 0.00 C ATOM 407 CG1 ILE A 32 2.099 -2.530 -9.908 1.00 0.00 C ATOM 408 CG2 ILE A 32 2.134 -0.358 -8.667 1.00 0.00 C ATOM 409 CD1 ILE A 32 1.645 -3.884 -9.361 1.00 0.00 C ATOM 0 H ILE A 32 4.196 -3.663 -8.770 1.00 0.00 H new ATOM 0 HA ILE A 32 4.421 -1.158 -10.143 1.00 0.00 H new ATOM 0 HB ILE A 32 2.704 -2.268 -7.849 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.242 -1.973 -10.286 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.780 -2.675 -10.747 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.080 -0.482 -8.420 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.627 0.210 -7.878 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.224 0.179 -9.611 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.150 -4.448 -10.152 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.511 -4.441 -9.005 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.949 -3.729 -8.537 1.00 0.00 H new ATOM 421 N ILE A 33 5.759 0.314 -8.671 1.00 0.00 N ATOM 422 CA ILE A 33 6.438 1.285 -7.761 1.00 0.00 C ATOM 423 C ILE A 33 5.480 2.432 -7.417 1.00 0.00 C ATOM 424 O ILE A 33 4.506 2.666 -8.107 1.00 0.00 O ATOM 425 CB ILE A 33 7.673 1.786 -8.524 1.00 0.00 C ATOM 426 CG1 ILE A 33 7.245 2.656 -9.719 1.00 0.00 C ATOM 427 CG2 ILE A 33 8.479 0.576 -9.015 1.00 0.00 C ATOM 428 CD1 ILE A 33 8.420 2.843 -10.680 1.00 0.00 C ATOM 0 H ILE A 33 5.969 0.425 -9.663 1.00 0.00 H new ATOM 0 HA ILE A 33 6.733 0.830 -6.815 1.00 0.00 H new ATOM 0 HB ILE A 33 8.289 2.393 -7.861 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.410 2.187 -10.240 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.896 3.626 -9.366 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.359 0.921 -9.558 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.792 -0.023 -8.160 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.859 -0.030 -9.676 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.107 3.460 -11.522 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.243 3.332 -10.158 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.749 1.870 -11.046 1.00 0.00 H new ATOM 440 N LYS A 34 5.738 3.136 -6.346 1.00 0.00 N ATOM 441 CA LYS A 34 4.831 4.252 -5.946 1.00 0.00 C ATOM 442 C LYS A 34 5.297 5.576 -6.558 1.00 0.00 C ATOM 443 O LYS A 34 6.479 5.826 -6.698 1.00 0.00 O ATOM 444 CB LYS A 34 4.923 4.305 -4.420 1.00 0.00 C ATOM 445 CG LYS A 34 4.129 3.142 -3.821 1.00 0.00 C ATOM 446 CD LYS A 34 2.666 3.556 -3.652 1.00 0.00 C ATOM 447 CE LYS A 34 1.817 2.318 -3.350 1.00 0.00 C ATOM 448 NZ LYS A 34 1.678 2.300 -1.867 1.00 0.00 N ATOM 0 H LYS A 34 6.538 2.986 -5.731 1.00 0.00 H new ATOM 0 HA LYS A 34 3.810 4.093 -6.293 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.965 4.248 -4.106 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.531 5.254 -4.054 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.198 2.269 -4.469 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.551 2.858 -2.857 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.573 4.280 -2.843 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.308 4.044 -4.559 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.844 2.378 -3.837 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.299 1.410 -3.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.107 1.479 -1.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.620 2.236 -1.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.209 3.173 -1.552 1.00 0.00 H new ATOM 462 N VAL A 35 4.372 6.422 -6.926 1.00 0.00 N ATOM 463 CA VAL A 35 4.748 7.732 -7.534 1.00 0.00 C ATOM 464 C VAL A 35 3.907 8.859 -6.928 1.00 0.00 C ATOM 465 O VAL A 35 2.708 8.916 -7.112 1.00 0.00 O ATOM 466 CB VAL A 35 4.436 7.582 -9.024 1.00 0.00 C ATOM 467 CG1 VAL A 35 4.858 8.853 -9.763 1.00 0.00 C ATOM 468 CG2 VAL A 35 5.201 6.385 -9.590 1.00 0.00 C ATOM 0 H VAL A 35 3.369 6.262 -6.831 1.00 0.00 H new ATOM 0 HA VAL A 35 5.794 7.982 -7.356 1.00 0.00 H new ATOM 0 HB VAL A 35 3.366 7.422 -9.156 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.636 8.747 -10.825 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.311 9.706 -9.361 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.928 9.013 -9.630 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.978 6.279 -10.652 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.272 6.542 -9.458 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.900 5.479 -9.064 1.00 0.00 H new ATOM 478 N THR A 36 4.526 9.759 -6.210 1.00 0.00 N ATOM 479 CA THR A 36 3.760 10.885 -5.599 1.00 0.00 C ATOM 480 C THR A 36 3.896 12.144 -6.459 1.00 0.00 C ATOM 481 O THR A 36 4.924 12.791 -6.472 1.00 0.00 O ATOM 482 CB THR A 36 4.397 11.101 -4.225 1.00 0.00 C ATOM 483 OG1 THR A 36 4.608 9.843 -3.599 1.00 0.00 O ATOM 484 CG2 THR A 36 3.470 11.955 -3.360 1.00 0.00 C ATOM 0 H THR A 36 5.528 9.763 -6.020 1.00 0.00 H new ATOM 0 HA THR A 36 2.695 10.666 -5.523 1.00 0.00 H new ATOM 0 HB THR A 36 5.352 11.612 -4.343 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.018 9.980 -2.719 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.925 12.108 -2.381 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.310 12.920 -3.841 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.513 11.446 -3.240 1.00 0.00 H new ATOM 492 N VAL A 37 2.862 12.495 -7.177 1.00 0.00 N ATOM 493 CA VAL A 37 2.926 13.713 -8.039 1.00 0.00 C ATOM 494 C VAL A 37 2.348 14.918 -7.294 1.00 0.00 C ATOM 495 O VAL A 37 1.251 14.867 -6.772 1.00 0.00 O ATOM 496 CB VAL A 37 2.071 13.379 -9.263 1.00 0.00 C ATOM 497 CG1 VAL A 37 2.066 14.568 -10.226 1.00 0.00 C ATOM 498 CG2 VAL A 37 2.653 12.155 -9.975 1.00 0.00 C ATOM 0 H VAL A 37 1.976 11.991 -7.204 1.00 0.00 H new ATOM 0 HA VAL A 37 3.949 13.970 -8.315 1.00 0.00 H new ATOM 0 HB VAL A 37 1.051 13.166 -8.942 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.456 14.328 -11.097 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.652 15.442 -9.723 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.086 14.782 -10.545 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.044 11.917 -10.847 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.673 12.370 -10.293 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.657 11.305 -9.293 1.00 0.00 H new ATOM 508 N LYS A 38 3.075 16.002 -7.245 1.00 0.00 N ATOM 509 CA LYS A 38 2.563 17.211 -6.537 1.00 0.00 C ATOM 510 C LYS A 38 1.828 18.123 -7.523 1.00 0.00 C ATOM 511 O LYS A 38 2.380 18.553 -8.516 1.00 0.00 O ATOM 512 CB LYS A 38 3.810 17.908 -5.986 1.00 0.00 C ATOM 513 CG LYS A 38 3.520 18.444 -4.581 1.00 0.00 C ATOM 514 CD LYS A 38 3.240 19.946 -4.653 1.00 0.00 C ATOM 515 CE LYS A 38 3.377 20.558 -3.258 1.00 0.00 C ATOM 516 NZ LYS A 38 3.466 22.027 -3.489 1.00 0.00 N ATOM 0 H LYS A 38 4.000 16.103 -7.664 1.00 0.00 H new ATOM 0 HA LYS A 38 1.856 16.960 -5.746 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.646 17.209 -5.954 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.103 18.725 -6.645 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.663 17.924 -4.152 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.370 18.253 -3.925 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.937 20.424 -5.341 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.237 20.121 -5.042 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.521 20.308 -2.631 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.265 20.184 -2.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.562 22.517 -2.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.294 22.236 -4.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.604 22.356 -3.969 1.00 0.00 H new ATOM 530 N THR A 39 0.586 18.417 -7.254 1.00 0.00 N ATOM 531 CA THR A 39 -0.194 19.299 -8.172 1.00 0.00 C ATOM 532 C THR A 39 -0.637 20.566 -7.430 1.00 0.00 C ATOM 533 O THR A 39 -0.438 20.680 -6.237 1.00 0.00 O ATOM 534 CB THR A 39 -1.410 18.465 -8.596 1.00 0.00 C ATOM 535 OG1 THR A 39 -1.617 17.412 -7.665 1.00 0.00 O ATOM 536 CG2 THR A 39 -1.169 17.875 -9.988 1.00 0.00 C ATOM 0 H THR A 39 0.075 18.084 -6.436 1.00 0.00 H new ATOM 0 HA THR A 39 0.391 19.622 -9.033 1.00 0.00 H new ATOM 0 HB THR A 39 -2.292 19.105 -8.621 1.00 0.00 H new ATOM 0 HG1 THR A 39 -1.783 17.789 -6.776 1.00 0.00 H new ATOM 0 HG21 THR A 39 -2.034 17.283 -10.287 1.00 0.00 H new ATOM 0 HG22 THR A 39 -1.017 18.683 -10.704 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.284 17.239 -9.965 1.00 0.00 H new ATOM 544 N PRO A 40 -1.225 21.481 -8.160 1.00 0.00 N ATOM 545 CA PRO A 40 -1.696 22.749 -7.545 1.00 0.00 C ATOM 546 C PRO A 40 -2.895 22.495 -6.623 1.00 0.00 C ATOM 547 O PRO A 40 -3.307 23.363 -5.879 1.00 0.00 O ATOM 548 CB PRO A 40 -2.096 23.603 -8.746 1.00 0.00 C ATOM 549 CG PRO A 40 -2.403 22.622 -9.830 1.00 0.00 C ATOM 550 CD PRO A 40 -1.509 21.432 -9.602 1.00 0.00 C ATOM 0 HA PRO A 40 -0.940 23.227 -6.922 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.962 24.224 -8.518 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.290 24.276 -9.039 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -3.452 22.329 -9.801 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.221 23.060 -10.811 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.002 20.501 -9.882 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -0.595 21.498 -10.193 1.00 0.00 H new ATOM 558 N LYS A 41 -3.457 21.314 -6.664 1.00 0.00 N ATOM 559 CA LYS A 41 -4.625 21.011 -5.786 1.00 0.00 C ATOM 560 C LYS A 41 -4.161 20.244 -4.543 1.00 0.00 C ATOM 561 O LYS A 41 -4.442 20.629 -3.424 1.00 0.00 O ATOM 562 CB LYS A 41 -5.552 20.141 -6.641 1.00 0.00 C ATOM 563 CG LYS A 41 -6.955 20.753 -6.658 1.00 0.00 C ATOM 564 CD LYS A 41 -7.633 20.514 -5.307 1.00 0.00 C ATOM 565 CE LYS A 41 -8.975 21.250 -5.271 1.00 0.00 C ATOM 566 NZ LYS A 41 -9.862 20.394 -4.436 1.00 0.00 N ATOM 0 H LYS A 41 -3.157 20.548 -7.267 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.126 21.914 -5.436 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.164 20.067 -7.657 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.590 19.128 -6.240 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.894 21.822 -6.862 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.547 20.309 -7.458 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.787 19.447 -5.150 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.992 20.866 -4.499 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.868 22.245 -4.840 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.381 21.379 -6.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.802 20.833 -4.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.951 19.455 -4.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.453 20.295 -3.485 1.00 0.00 H new ATOM 580 N GLU A 42 -3.453 19.162 -4.733 1.00 0.00 N ATOM 581 CA GLU A 42 -2.967 18.364 -3.566 1.00 0.00 C ATOM 582 C GLU A 42 -2.008 17.269 -4.040 1.00 0.00 C ATOM 583 O GLU A 42 -1.689 17.174 -5.209 1.00 0.00 O ATOM 584 CB GLU A 42 -4.226 17.747 -2.953 1.00 0.00 C ATOM 585 CG GLU A 42 -4.533 18.426 -1.615 1.00 0.00 C ATOM 586 CD GLU A 42 -4.042 17.541 -0.466 1.00 0.00 C ATOM 587 OE1 GLU A 42 -4.368 16.365 -0.470 1.00 0.00 O ATOM 588 OE2 GLU A 42 -3.350 18.056 0.397 1.00 0.00 O ATOM 0 H GLU A 42 -3.189 18.795 -5.647 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.422 18.975 -2.846 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.069 17.865 -3.634 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.083 16.677 -2.805 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.047 19.401 -1.570 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.605 18.600 -1.521 1.00 0.00 H new ATOM 595 N LYS A 43 -1.547 16.439 -3.141 1.00 0.00 N ATOM 596 CA LYS A 43 -0.612 15.348 -3.539 1.00 0.00 C ATOM 597 C LYS A 43 -1.402 14.133 -4.032 1.00 0.00 C ATOM 598 O LYS A 43 -2.426 13.784 -3.480 1.00 0.00 O ATOM 599 CB LYS A 43 0.163 15.004 -2.267 1.00 0.00 C ATOM 600 CG LYS A 43 1.592 14.587 -2.631 1.00 0.00 C ATOM 601 CD LYS A 43 2.592 15.418 -1.824 1.00 0.00 C ATOM 602 CE LYS A 43 2.959 14.671 -0.541 1.00 0.00 C ATOM 603 NZ LYS A 43 3.975 15.532 0.127 1.00 0.00 N ATOM 0 H LYS A 43 -1.778 16.470 -2.148 1.00 0.00 H new ATOM 0 HA LYS A 43 0.052 15.647 -4.350 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.184 15.864 -1.598 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.337 14.197 -1.732 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.736 13.526 -2.425 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.763 14.730 -3.698 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.487 15.605 -2.417 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.161 16.389 -1.581 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.086 14.525 0.095 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.362 13.682 -0.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.277 15.086 1.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.797 15.648 -0.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.561 16.464 0.330 1.00 0.00 H new ATOM 617 N GLU A 44 -0.936 13.489 -5.069 1.00 0.00 N ATOM 618 CA GLU A 44 -1.664 12.299 -5.597 1.00 0.00 C ATOM 619 C GLU A 44 -0.684 11.160 -5.891 1.00 0.00 C ATOM 620 O GLU A 44 0.236 11.307 -6.672 1.00 0.00 O ATOM 621 CB GLU A 44 -2.327 12.783 -6.888 1.00 0.00 C ATOM 622 CG GLU A 44 -3.806 13.075 -6.627 1.00 0.00 C ATOM 623 CD GLU A 44 -4.610 11.780 -6.746 1.00 0.00 C ATOM 624 OE1 GLU A 44 -4.187 10.788 -6.175 1.00 0.00 O ATOM 625 OE2 GLU A 44 -5.635 11.800 -7.407 1.00 0.00 O ATOM 0 H GLU A 44 -0.084 13.735 -5.572 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.391 11.912 -4.883 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.827 13.681 -7.251 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.227 12.026 -7.666 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.933 13.504 -5.633 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.174 13.811 -7.342 1.00 0.00 H new ATOM 632 N GLU A 45 -0.878 10.025 -5.273 1.00 0.00 N ATOM 633 CA GLU A 45 0.039 8.874 -5.518 1.00 0.00 C ATOM 634 C GLU A 45 -0.468 8.040 -6.697 1.00 0.00 C ATOM 635 O GLU A 45 -1.658 7.908 -6.910 1.00 0.00 O ATOM 636 CB GLU A 45 0.002 8.053 -4.228 1.00 0.00 C ATOM 637 CG GLU A 45 1.172 8.459 -3.331 1.00 0.00 C ATOM 638 CD GLU A 45 0.772 9.668 -2.483 1.00 0.00 C ATOM 639 OE1 GLU A 45 0.525 10.714 -3.059 1.00 0.00 O ATOM 640 OE2 GLU A 45 0.720 9.526 -1.273 1.00 0.00 O ATOM 0 H GLU A 45 -1.632 9.845 -4.609 1.00 0.00 H new ATOM 0 HA GLU A 45 1.050 9.197 -5.765 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.942 8.215 -3.708 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.059 6.989 -4.460 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.455 7.627 -2.686 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.043 8.701 -3.940 1.00 0.00 H new ATOM 647 N PHE A 46 0.424 7.474 -7.466 1.00 0.00 N ATOM 648 CA PHE A 46 -0.008 6.649 -8.629 1.00 0.00 C ATOM 649 C PHE A 46 0.749 5.319 -8.643 1.00 0.00 C ATOM 650 O PHE A 46 1.961 5.282 -8.567 1.00 0.00 O ATOM 651 CB PHE A 46 0.348 7.481 -9.863 1.00 0.00 C ATOM 652 CG PHE A 46 -0.884 8.200 -10.360 1.00 0.00 C ATOM 653 CD1 PHE A 46 -1.299 9.387 -9.743 1.00 0.00 C ATOM 654 CD2 PHE A 46 -1.609 7.682 -11.440 1.00 0.00 C ATOM 655 CE1 PHE A 46 -2.440 10.054 -10.205 1.00 0.00 C ATOM 656 CE2 PHE A 46 -2.750 8.350 -11.902 1.00 0.00 C ATOM 657 CZ PHE A 46 -3.165 9.536 -11.285 1.00 0.00 C ATOM 0 H PHE A 46 1.433 7.548 -7.338 1.00 0.00 H new ATOM 0 HA PHE A 46 -1.071 6.410 -8.592 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.128 8.202 -9.616 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.746 6.836 -10.646 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.739 9.788 -8.911 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.288 6.767 -11.917 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.761 10.968 -9.728 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -3.310 7.950 -12.734 1.00 0.00 H new ATOM 0 HZ PHE A 46 -4.044 10.051 -11.642 1.00 0.00 H new ATOM 667 N ALA A 47 0.041 4.227 -8.746 1.00 0.00 N ATOM 668 CA ALA A 47 0.712 2.897 -8.771 1.00 0.00 C ATOM 669 C ALA A 47 1.020 2.507 -10.216 1.00 0.00 C ATOM 670 O ALA A 47 0.143 2.476 -11.057 1.00 0.00 O ATOM 671 CB ALA A 47 -0.297 1.930 -8.154 1.00 0.00 C ATOM 0 H ALA A 47 -0.976 4.199 -8.814 1.00 0.00 H new ATOM 0 HA ALA A 47 1.656 2.892 -8.226 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.125 0.925 -8.137 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.527 2.244 -7.136 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.211 1.929 -8.748 1.00 0.00 H new ATOM 677 N VAL A 48 2.257 2.219 -10.516 1.00 0.00 N ATOM 678 CA VAL A 48 2.612 1.842 -11.911 1.00 0.00 C ATOM 679 C VAL A 48 3.673 0.740 -11.897 1.00 0.00 C ATOM 680 O VAL A 48 4.476 0.673 -10.989 1.00 0.00 O ATOM 681 CB VAL A 48 3.163 3.125 -12.538 1.00 0.00 C ATOM 682 CG1 VAL A 48 2.073 4.200 -12.542 1.00 0.00 C ATOM 683 CG2 VAL A 48 4.360 3.627 -11.725 1.00 0.00 C ATOM 0 H VAL A 48 3.035 2.229 -9.856 1.00 0.00 H new ATOM 0 HA VAL A 48 1.761 1.454 -12.472 1.00 0.00 H new ATOM 0 HB VAL A 48 3.479 2.916 -13.560 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.465 5.114 -12.988 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.219 3.850 -13.122 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.758 4.402 -11.518 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.748 4.540 -12.175 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.045 3.833 -10.702 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.140 2.866 -11.718 1.00 0.00 H new ATOM 693 N PRO A 49 3.644 -0.093 -12.905 1.00 0.00 N ATOM 694 CA PRO A 49 4.619 -1.207 -12.993 1.00 0.00 C ATOM 695 C PRO A 49 6.031 -0.666 -13.216 1.00 0.00 C ATOM 696 O PRO A 49 6.293 0.029 -14.177 1.00 0.00 O ATOM 697 CB PRO A 49 4.136 -2.017 -14.194 1.00 0.00 C ATOM 698 CG PRO A 49 3.355 -1.045 -15.018 1.00 0.00 C ATOM 699 CD PRO A 49 2.723 -0.081 -14.051 1.00 0.00 C ATOM 0 HA PRO A 49 4.671 -1.806 -12.084 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.974 -2.429 -14.756 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.517 -2.858 -13.881 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.004 -0.522 -15.720 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.595 -1.558 -15.608 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.630 0.916 -14.481 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.721 -0.399 -13.764 1.00 0.00 H new ATOM 707 N GLU A 50 6.935 -0.977 -12.321 1.00 0.00 N ATOM 708 CA GLU A 50 8.347 -0.490 -12.442 1.00 0.00 C ATOM 709 C GLU A 50 8.792 -0.432 -13.913 1.00 0.00 C ATOM 710 O GLU A 50 9.483 0.477 -14.327 1.00 0.00 O ATOM 711 CB GLU A 50 9.186 -1.505 -11.646 1.00 0.00 C ATOM 712 CG GLU A 50 9.337 -2.814 -12.433 1.00 0.00 C ATOM 713 CD GLU A 50 10.254 -3.769 -11.664 1.00 0.00 C ATOM 714 OE1 GLU A 50 11.341 -3.350 -11.301 1.00 0.00 O ATOM 715 OE2 GLU A 50 9.854 -4.901 -11.454 1.00 0.00 O ATOM 0 H GLU A 50 6.754 -1.555 -11.500 1.00 0.00 H new ATOM 0 HA GLU A 50 8.462 0.524 -12.058 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.170 -1.086 -11.434 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.711 -1.704 -10.685 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.361 -3.274 -12.585 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.751 -2.611 -13.421 1.00 0.00 H new ATOM 722 N ASN A 51 8.400 -1.395 -14.701 1.00 0.00 N ATOM 723 CA ASN A 51 8.803 -1.390 -16.137 1.00 0.00 C ATOM 724 C ASN A 51 7.769 -0.637 -16.981 1.00 0.00 C ATOM 725 O ASN A 51 7.228 -1.166 -17.933 1.00 0.00 O ATOM 726 CB ASN A 51 8.857 -2.865 -16.538 1.00 0.00 C ATOM 727 CG ASN A 51 9.786 -3.032 -17.742 1.00 0.00 C ATOM 728 OD1 ASN A 51 10.874 -3.558 -17.614 1.00 0.00 O ATOM 729 ND2 ASN A 51 9.402 -2.604 -18.912 1.00 0.00 N ATOM 0 H ASN A 51 7.820 -2.183 -14.414 1.00 0.00 H new ATOM 0 HA ASN A 51 9.758 -0.890 -16.294 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.215 -3.467 -15.703 1.00 0.00 H new ATOM 0 HB3 ASN A 51 7.857 -3.223 -16.784 1.00 0.00 H new ATOM 0 HD21 ASN A 51 10.015 -2.711 -19.720 1.00 0.00 H new ATOM 0 HD22 ASN A 51 8.489 -2.163 -19.019 1.00 0.00 H new ATOM 736 N SER A 52 7.494 0.594 -16.640 1.00 0.00 N ATOM 737 CA SER A 52 6.498 1.384 -17.423 1.00 0.00 C ATOM 738 C SER A 52 7.186 2.563 -18.118 1.00 0.00 C ATOM 739 O SER A 52 8.380 2.755 -17.999 1.00 0.00 O ATOM 740 CB SER A 52 5.490 1.888 -16.392 1.00 0.00 C ATOM 741 OG SER A 52 6.100 2.888 -15.587 1.00 0.00 O ATOM 0 H SER A 52 7.916 1.087 -15.853 1.00 0.00 H new ATOM 0 HA SER A 52 6.022 0.788 -18.202 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.612 2.295 -16.894 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.147 1.062 -15.768 1.00 0.00 H new ATOM 0 HG SER A 52 5.455 3.214 -14.926 1.00 0.00 H new ATOM 747 N SER A 53 6.438 3.354 -18.839 1.00 0.00 N ATOM 748 CA SER A 53 7.041 4.525 -19.541 1.00 0.00 C ATOM 749 C SER A 53 6.302 5.808 -19.149 1.00 0.00 C ATOM 750 O SER A 53 5.095 5.818 -19.005 1.00 0.00 O ATOM 751 CB SER A 53 6.857 4.233 -21.029 1.00 0.00 C ATOM 752 OG SER A 53 8.057 3.678 -21.551 1.00 0.00 O ATOM 0 H SER A 53 5.433 3.240 -18.973 1.00 0.00 H new ATOM 0 HA SER A 53 8.090 4.669 -19.283 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.028 3.540 -21.176 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.604 5.149 -21.563 1.00 0.00 H new ATOM 0 HG SER A 53 7.941 3.488 -22.505 1.00 0.00 H new ATOM 758 N VAL A 54 7.016 6.888 -18.972 1.00 0.00 N ATOM 759 CA VAL A 54 6.350 8.167 -18.585 1.00 0.00 C ATOM 760 C VAL A 54 5.463 8.676 -19.721 1.00 0.00 C ATOM 761 O VAL A 54 4.432 9.258 -19.486 1.00 0.00 O ATOM 762 CB VAL A 54 7.468 9.163 -18.289 1.00 0.00 C ATOM 763 CG1 VAL A 54 6.855 10.440 -17.705 1.00 0.00 C ATOM 764 CG2 VAL A 54 8.443 8.556 -17.273 1.00 0.00 C ATOM 0 H VAL A 54 8.029 6.940 -19.078 1.00 0.00 H new ATOM 0 HA VAL A 54 5.707 8.028 -17.716 1.00 0.00 H new ATOM 0 HB VAL A 54 8.005 9.396 -19.208 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.646 11.158 -17.490 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.159 10.871 -18.424 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.323 10.200 -16.784 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.240 9.269 -17.063 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.910 8.325 -16.350 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.872 7.641 -17.682 1.00 0.00 H new ATOM 774 N GLN A 55 5.854 8.480 -20.951 1.00 0.00 N ATOM 775 CA GLN A 55 5.008 8.976 -22.082 1.00 0.00 C ATOM 776 C GLN A 55 3.551 8.531 -21.889 1.00 0.00 C ATOM 777 O GLN A 55 2.631 9.326 -21.969 1.00 0.00 O ATOM 778 CB GLN A 55 5.604 8.331 -23.335 1.00 0.00 C ATOM 779 CG GLN A 55 5.295 9.201 -24.557 1.00 0.00 C ATOM 780 CD GLN A 55 4.932 8.308 -25.745 1.00 0.00 C ATOM 781 OE1 GLN A 55 3.786 7.947 -25.921 1.00 0.00 O ATOM 782 NE2 GLN A 55 5.869 7.932 -26.572 1.00 0.00 N ATOM 0 H GLN A 55 6.713 8.003 -21.223 1.00 0.00 H new ATOM 0 HA GLN A 55 5.002 10.064 -22.147 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.682 8.217 -23.220 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.191 7.332 -23.474 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.471 9.879 -24.334 1.00 0.00 H new ATOM 0 HG3 GLN A 55 6.159 9.819 -24.804 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.832 8.235 -26.424 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.639 7.335 -27.366 1.00 0.00 H new ATOM 791 N GLN A 56 3.336 7.271 -21.620 1.00 0.00 N ATOM 792 CA GLN A 56 1.942 6.778 -21.412 1.00 0.00 C ATOM 793 C GLN A 56 1.452 7.142 -20.006 1.00 0.00 C ATOM 794 O GLN A 56 0.346 7.617 -19.831 1.00 0.00 O ATOM 795 CB GLN A 56 2.030 5.259 -21.572 1.00 0.00 C ATOM 796 CG GLN A 56 0.625 4.657 -21.504 1.00 0.00 C ATOM 797 CD GLN A 56 0.660 3.219 -22.023 1.00 0.00 C ATOM 798 OE1 GLN A 56 0.682 2.282 -21.250 1.00 0.00 O ATOM 799 NE2 GLN A 56 0.665 3.003 -23.310 1.00 0.00 N ATOM 0 H GLN A 56 4.064 6.562 -21.535 1.00 0.00 H new ATOM 0 HA GLN A 56 1.239 7.223 -22.117 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.499 5.009 -22.524 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.657 4.836 -20.787 1.00 0.00 H new ATOM 0 HG2 GLN A 56 0.259 4.675 -20.477 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -0.067 5.253 -22.099 1.00 0.00 H new ATOM 0 HE21 GLN A 56 0.647 3.790 -23.959 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.687 2.048 -23.667 1.00 0.00 H new ATOM 808 N PHE A 57 2.262 6.921 -19.004 1.00 0.00 N ATOM 809 CA PHE A 57 1.839 7.253 -17.609 1.00 0.00 C ATOM 810 C PHE A 57 1.561 8.753 -17.482 1.00 0.00 C ATOM 811 O PHE A 57 0.521 9.161 -17.005 1.00 0.00 O ATOM 812 CB PHE A 57 3.024 6.850 -16.725 1.00 0.00 C ATOM 813 CG PHE A 57 2.761 7.272 -15.297 1.00 0.00 C ATOM 814 CD1 PHE A 57 1.578 6.884 -14.657 1.00 0.00 C ATOM 815 CD2 PHE A 57 3.702 8.051 -14.614 1.00 0.00 C ATOM 816 CE1 PHE A 57 1.336 7.274 -13.335 1.00 0.00 C ATOM 817 CE2 PHE A 57 3.460 8.442 -13.291 1.00 0.00 C ATOM 818 CZ PHE A 57 2.277 8.053 -12.651 1.00 0.00 C ATOM 0 H PHE A 57 3.198 6.525 -19.090 1.00 0.00 H new ATOM 0 HA PHE A 57 0.924 6.735 -17.323 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.176 5.772 -16.774 1.00 0.00 H new ATOM 0 HB3 PHE A 57 3.938 7.318 -17.090 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.852 6.283 -15.184 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.615 8.351 -15.107 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.423 6.974 -12.842 1.00 0.00 H new ATOM 0 HE2 PHE A 57 4.186 9.044 -12.764 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.091 8.354 -11.631 1.00 0.00 H new ATOM 828 N LYS A 58 2.485 9.573 -17.904 1.00 0.00 N ATOM 829 CA LYS A 58 2.287 11.049 -17.805 1.00 0.00 C ATOM 830 C LYS A 58 1.014 11.457 -18.553 1.00 0.00 C ATOM 831 O LYS A 58 0.302 12.353 -18.144 1.00 0.00 O ATOM 832 CB LYS A 58 3.536 11.673 -18.450 1.00 0.00 C ATOM 833 CG LYS A 58 3.382 11.739 -19.975 1.00 0.00 C ATOM 834 CD LYS A 58 4.673 12.274 -20.598 1.00 0.00 C ATOM 835 CE LYS A 58 4.665 13.804 -20.559 1.00 0.00 C ATOM 836 NZ LYS A 58 4.473 14.225 -21.975 1.00 0.00 N ATOM 0 H LYS A 58 3.373 9.284 -18.315 1.00 0.00 H new ATOM 0 HA LYS A 58 2.167 11.384 -16.775 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.695 12.675 -18.052 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.417 11.084 -18.193 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.158 10.749 -20.371 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.544 12.385 -20.239 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.537 11.891 -20.055 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.763 11.927 -21.627 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.862 14.178 -19.924 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.599 14.193 -20.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.059 15.179 -22.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.392 14.233 -22.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.834 13.557 -22.452 1.00 0.00 H new ATOM 850 N GLU A 59 0.717 10.796 -19.640 1.00 0.00 N ATOM 851 CA GLU A 59 -0.519 11.139 -20.402 1.00 0.00 C ATOM 852 C GLU A 59 -1.742 10.533 -19.704 1.00 0.00 C ATOM 853 O GLU A 59 -2.844 11.031 -19.819 1.00 0.00 O ATOM 854 CB GLU A 59 -0.323 10.512 -21.784 1.00 0.00 C ATOM 855 CG GLU A 59 -1.103 11.319 -22.825 1.00 0.00 C ATOM 856 CD GLU A 59 -1.696 10.370 -23.869 1.00 0.00 C ATOM 857 OE1 GLU A 59 -0.942 9.589 -24.426 1.00 0.00 O ATOM 858 OE2 GLU A 59 -2.893 10.441 -24.092 1.00 0.00 O ATOM 0 H GLU A 59 1.274 10.037 -20.032 1.00 0.00 H new ATOM 0 HA GLU A 59 -0.684 12.214 -20.467 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.736 10.495 -22.040 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.666 9.478 -21.778 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.898 11.885 -22.340 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.445 12.042 -23.307 1.00 0.00 H new ATOM 865 N ALA A 60 -1.549 9.464 -18.974 1.00 0.00 N ATOM 866 CA ALA A 60 -2.692 8.826 -18.258 1.00 0.00 C ATOM 867 C ALA A 60 -3.173 9.740 -17.132 1.00 0.00 C ATOM 868 O ALA A 60 -4.341 10.062 -17.032 1.00 0.00 O ATOM 869 CB ALA A 60 -2.131 7.522 -17.690 1.00 0.00 C ATOM 0 H ALA A 60 -0.647 9.006 -18.843 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.544 8.646 -18.913 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.915 6.994 -17.147 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.769 6.896 -18.506 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.308 7.745 -17.011 1.00 0.00 H new ATOM 875 N ILE A 61 -2.271 10.161 -16.288 1.00 0.00 N ATOM 876 CA ILE A 61 -2.658 11.063 -15.163 1.00 0.00 C ATOM 877 C ILE A 61 -3.248 12.361 -15.723 1.00 0.00 C ATOM 878 O ILE A 61 -4.082 12.993 -15.104 1.00 0.00 O ATOM 879 CB ILE A 61 -1.358 11.328 -14.379 1.00 0.00 C ATOM 880 CG1 ILE A 61 -1.589 12.458 -13.361 1.00 0.00 C ATOM 881 CG2 ILE A 61 -0.220 11.709 -15.336 1.00 0.00 C ATOM 882 CD1 ILE A 61 -1.286 13.822 -13.996 1.00 0.00 C ATOM 0 H ILE A 61 -1.281 9.920 -16.328 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.418 10.623 -14.517 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.075 10.418 -13.851 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.621 12.434 -13.010 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.952 12.306 -12.489 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.690 11.892 -14.765 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.048 10.895 -16.040 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.492 12.611 -15.884 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.454 14.610 -13.262 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.247 13.848 -14.324 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.941 13.978 -14.853 1.00 0.00 H new ATOM 894 N SER A 62 -2.824 12.758 -16.892 1.00 0.00 N ATOM 895 CA SER A 62 -3.360 14.010 -17.503 1.00 0.00 C ATOM 896 C SER A 62 -4.886 13.934 -17.617 1.00 0.00 C ATOM 897 O SER A 62 -5.587 14.879 -17.318 1.00 0.00 O ATOM 898 CB SER A 62 -2.723 14.083 -18.890 1.00 0.00 C ATOM 899 OG SER A 62 -2.986 15.357 -19.462 1.00 0.00 O ATOM 0 H SER A 62 -2.127 12.268 -17.453 1.00 0.00 H new ATOM 0 HA SER A 62 -3.130 14.890 -16.903 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.648 13.919 -18.818 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.123 13.295 -19.528 1.00 0.00 H new ATOM 0 HG SER A 62 -2.418 15.485 -20.250 1.00 0.00 H new ATOM 905 N LYS A 63 -5.401 12.818 -18.056 1.00 0.00 N ATOM 906 CA LYS A 63 -6.882 12.679 -18.198 1.00 0.00 C ATOM 907 C LYS A 63 -7.573 12.826 -16.838 1.00 0.00 C ATOM 908 O LYS A 63 -8.484 13.615 -16.679 1.00 0.00 O ATOM 909 CB LYS A 63 -7.098 11.272 -18.758 1.00 0.00 C ATOM 910 CG LYS A 63 -8.439 11.213 -19.491 1.00 0.00 C ATOM 911 CD LYS A 63 -9.581 11.245 -18.472 1.00 0.00 C ATOM 912 CE LYS A 63 -10.867 10.729 -19.126 1.00 0.00 C ATOM 913 NZ LYS A 63 -11.767 11.914 -19.197 1.00 0.00 N ATOM 0 H LYS A 63 -4.861 11.995 -18.323 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.302 13.448 -18.846 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.288 11.012 -19.439 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.081 10.541 -17.950 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.527 12.055 -20.178 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.498 10.305 -20.091 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.328 10.630 -17.608 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.729 12.262 -18.108 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.670 10.324 -20.118 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -11.315 9.928 -18.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.670 11.639 -19.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.943 12.274 -18.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.318 12.657 -19.769 1.00 0.00 H new ATOM 927 N ARG A 64 -7.155 12.067 -15.857 1.00 0.00 N ATOM 928 CA ARG A 64 -7.800 12.160 -14.511 1.00 0.00 C ATOM 929 C ARG A 64 -7.650 13.575 -13.942 1.00 0.00 C ATOM 930 O ARG A 64 -8.616 14.202 -13.553 1.00 0.00 O ATOM 931 CB ARG A 64 -7.048 11.149 -13.640 1.00 0.00 C ATOM 932 CG ARG A 64 -8.045 10.362 -12.782 1.00 0.00 C ATOM 933 CD ARG A 64 -7.755 10.606 -11.300 1.00 0.00 C ATOM 934 NE ARG A 64 -8.916 10.016 -10.578 1.00 0.00 N ATOM 935 CZ ARG A 64 -9.026 8.721 -10.467 1.00 0.00 C ATOM 936 NH1 ARG A 64 -8.007 8.011 -10.066 1.00 0.00 N ATOM 937 NH2 ARG A 64 -10.155 8.134 -10.757 1.00 0.00 N ATOM 0 H ARG A 64 -6.397 11.388 -15.929 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.869 11.949 -14.553 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.477 10.466 -14.269 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.333 11.667 -13.001 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -9.064 10.668 -13.018 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.972 9.298 -13.006 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.821 10.133 -10.998 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.657 11.671 -11.087 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.626 10.625 -10.170 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.124 8.469 -9.839 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.093 6.998 -9.979 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.952 8.688 -11.071 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.240 7.121 -10.670 1.00 0.00 H new ATOM 951 N PHE A 65 -6.448 14.082 -13.897 1.00 0.00 N ATOM 952 CA PHE A 65 -6.234 15.460 -13.360 1.00 0.00 C ATOM 953 C PHE A 65 -6.865 16.491 -14.298 1.00 0.00 C ATOM 954 O PHE A 65 -7.383 17.502 -13.866 1.00 0.00 O ATOM 955 CB PHE A 65 -4.714 15.641 -13.292 1.00 0.00 C ATOM 956 CG PHE A 65 -4.284 15.723 -11.845 1.00 0.00 C ATOM 957 CD1 PHE A 65 -4.813 16.718 -11.015 1.00 0.00 C ATOM 958 CD2 PHE A 65 -3.360 14.804 -11.334 1.00 0.00 C ATOM 959 CE1 PHE A 65 -4.418 16.794 -9.673 1.00 0.00 C ATOM 960 CE2 PHE A 65 -2.965 14.880 -9.993 1.00 0.00 C ATOM 961 CZ PHE A 65 -3.494 15.875 -9.162 1.00 0.00 C ATOM 0 H PHE A 65 -5.603 13.603 -14.209 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.694 15.597 -12.381 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.215 14.807 -13.785 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.420 16.547 -13.822 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.526 17.427 -11.409 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.952 14.036 -11.974 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.826 17.562 -9.033 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.252 14.171 -9.599 1.00 0.00 H new ATOM 0 HZ PHE A 65 -3.189 15.933 -8.128 1.00 0.00 H new ATOM 971 N LYS A 66 -6.809 16.240 -15.585 1.00 0.00 N ATOM 972 CA LYS A 66 -7.389 17.189 -16.592 1.00 0.00 C ATOM 973 C LYS A 66 -6.470 18.398 -16.769 1.00 0.00 C ATOM 974 O LYS A 66 -6.645 19.424 -16.143 1.00 0.00 O ATOM 975 CB LYS A 66 -8.755 17.619 -16.044 1.00 0.00 C ATOM 976 CG LYS A 66 -9.727 17.834 -17.206 1.00 0.00 C ATOM 977 CD LYS A 66 -11.165 17.707 -16.700 1.00 0.00 C ATOM 978 CE LYS A 66 -11.677 19.080 -16.262 1.00 0.00 C ATOM 979 NZ LYS A 66 -12.328 19.652 -17.473 1.00 0.00 N ATOM 0 H LYS A 66 -6.380 15.406 -15.987 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.493 16.719 -17.570 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.143 16.858 -15.367 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -8.654 18.538 -15.466 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.571 18.819 -17.647 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.540 17.101 -17.990 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.803 17.303 -17.486 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.207 17.008 -15.864 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -12.384 18.993 -15.437 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.861 19.714 -15.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -12.705 20.596 -17.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.629 19.729 -18.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -13.105 19.031 -17.775 1.00 0.00 H new ATOM 993 N SER A 67 -5.488 18.276 -17.622 1.00 0.00 N ATOM 994 CA SER A 67 -4.546 19.407 -17.856 1.00 0.00 C ATOM 995 C SER A 67 -3.769 19.175 -19.156 1.00 0.00 C ATOM 996 O SER A 67 -4.227 18.485 -20.046 1.00 0.00 O ATOM 997 CB SER A 67 -3.603 19.392 -16.653 1.00 0.00 C ATOM 998 OG SER A 67 -3.357 20.727 -16.232 1.00 0.00 O ATOM 0 H SER A 67 -5.298 17.437 -18.169 1.00 0.00 H new ATOM 0 HA SER A 67 -5.058 20.364 -17.955 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.043 18.817 -15.838 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.665 18.903 -16.918 1.00 0.00 H new ATOM 0 HG SER A 67 -2.754 20.721 -15.460 1.00 0.00 H new ATOM 1004 N GLN A 68 -2.597 19.742 -19.273 1.00 0.00 N ATOM 1005 CA GLN A 68 -1.794 19.548 -20.517 1.00 0.00 C ATOM 1006 C GLN A 68 -0.947 18.277 -20.403 1.00 0.00 C ATOM 1007 O GLN A 68 -1.014 17.562 -19.423 1.00 0.00 O ATOM 1008 CB GLN A 68 -0.898 20.785 -20.609 1.00 0.00 C ATOM 1009 CG GLN A 68 -0.738 21.193 -22.077 1.00 0.00 C ATOM 1010 CD GLN A 68 -0.933 22.705 -22.214 1.00 0.00 C ATOM 1011 OE1 GLN A 68 -1.651 23.310 -21.444 1.00 0.00 O ATOM 1012 NE2 GLN A 68 -0.320 23.344 -23.173 1.00 0.00 N ATOM 0 H GLN A 68 -2.161 20.330 -18.562 1.00 0.00 H new ATOM 0 HA GLN A 68 -2.421 19.435 -21.401 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -1.333 21.605 -20.038 1.00 0.00 H new ATOM 0 HB3 GLN A 68 0.077 20.574 -20.171 1.00 0.00 H new ATOM 0 HG2 GLN A 68 0.251 20.909 -22.438 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -1.466 20.665 -22.693 1.00 0.00 H new ATOM 0 HE21 GLN A 68 0.283 22.836 -23.820 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -0.444 24.351 -23.275 1.00 0.00 H new ATOM 1021 N THR A 69 -0.152 17.991 -21.400 1.00 0.00 N ATOM 1022 CA THR A 69 0.698 16.765 -21.351 1.00 0.00 C ATOM 1023 C THR A 69 2.080 17.055 -21.945 1.00 0.00 C ATOM 1024 O THR A 69 3.095 16.817 -21.321 1.00 0.00 O ATOM 1025 CB THR A 69 -0.046 15.733 -22.199 1.00 0.00 C ATOM 1026 OG1 THR A 69 -1.364 15.567 -21.693 1.00 0.00 O ATOM 1027 CG2 THR A 69 0.694 14.395 -22.144 1.00 0.00 C ATOM 0 H THR A 69 -0.054 18.553 -22.246 1.00 0.00 H new ATOM 0 HA THR A 69 0.859 16.414 -20.332 1.00 0.00 H new ATOM 0 HB THR A 69 -0.093 16.078 -23.232 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.842 14.907 -22.237 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.163 13.660 -22.749 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.705 14.522 -22.532 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.743 14.048 -21.112 1.00 0.00 H new ATOM 1035 N ASP A 70 2.124 17.565 -23.146 1.00 0.00 N ATOM 1036 CA ASP A 70 3.440 17.871 -23.781 1.00 0.00 C ATOM 1037 C ASP A 70 4.207 18.896 -22.942 1.00 0.00 C ATOM 1038 O ASP A 70 5.357 18.699 -22.604 1.00 0.00 O ATOM 1039 CB ASP A 70 3.096 18.454 -25.153 1.00 0.00 C ATOM 1040 CG ASP A 70 3.121 17.341 -26.202 1.00 0.00 C ATOM 1041 OD1 ASP A 70 4.178 17.108 -26.765 1.00 0.00 O ATOM 1042 OD2 ASP A 70 2.083 16.740 -26.425 1.00 0.00 O ATOM 0 H ASP A 70 1.306 17.783 -23.716 1.00 0.00 H new ATOM 0 HA ASP A 70 4.073 16.987 -23.861 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.111 18.920 -25.125 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.810 19.234 -25.418 1.00 0.00 H new ATOM 1047 N GLN A 71 3.577 19.989 -22.605 1.00 0.00 N ATOM 1048 CA GLN A 71 4.266 21.028 -21.786 1.00 0.00 C ATOM 1049 C GLN A 71 4.303 20.604 -20.315 1.00 0.00 C ATOM 1050 O GLN A 71 5.168 21.012 -19.565 1.00 0.00 O ATOM 1051 CB GLN A 71 3.424 22.293 -21.960 1.00 0.00 C ATOM 1052 CG GLN A 71 3.621 22.847 -23.372 1.00 0.00 C ATOM 1053 CD GLN A 71 3.535 24.374 -23.339 1.00 0.00 C ATOM 1054 OE1 GLN A 71 4.388 25.029 -22.774 1.00 0.00 O ATOM 1055 NE2 GLN A 71 2.533 24.972 -23.924 1.00 0.00 N ATOM 0 H GLN A 71 2.614 20.208 -22.862 1.00 0.00 H new ATOM 0 HA GLN A 71 5.299 21.181 -22.097 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.371 22.068 -21.790 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.714 23.040 -21.221 1.00 0.00 H new ATOM 0 HG2 GLN A 71 4.589 22.535 -23.764 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.861 22.444 -24.041 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.817 24.422 -24.398 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.466 25.990 -23.907 1.00 0.00 H new ATOM 1064 N LEU A 72 3.369 19.790 -19.897 1.00 0.00 N ATOM 1065 CA LEU A 72 3.349 19.339 -18.474 1.00 0.00 C ATOM 1066 C LEU A 72 4.584 18.487 -18.170 1.00 0.00 C ATOM 1067 O LEU A 72 4.803 17.456 -18.776 1.00 0.00 O ATOM 1068 CB LEU A 72 2.073 18.505 -18.337 1.00 0.00 C ATOM 1069 CG LEU A 72 1.911 18.050 -16.885 1.00 0.00 C ATOM 1070 CD1 LEU A 72 0.432 18.083 -16.499 1.00 0.00 C ATOM 1071 CD2 LEU A 72 2.443 16.623 -16.733 1.00 0.00 C ATOM 0 H LEU A 72 2.619 19.418 -20.480 1.00 0.00 H new ATOM 0 HA LEU A 72 3.363 20.177 -17.777 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.208 19.093 -18.643 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.120 17.639 -18.997 1.00 0.00 H new ATOM 0 HG LEU A 72 2.472 18.720 -16.233 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.319 17.759 -15.465 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.051 19.099 -16.605 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.130 17.415 -17.152 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.327 16.300 -15.698 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.883 15.954 -17.387 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.498 16.597 -17.005 1.00 0.00 H new ATOM 1083 N VAL A 73 5.389 18.909 -17.232 1.00 0.00 N ATOM 1084 CA VAL A 73 6.611 18.126 -16.880 1.00 0.00 C ATOM 1085 C VAL A 73 6.748 18.039 -15.356 1.00 0.00 C ATOM 1086 O VAL A 73 6.218 18.861 -14.635 1.00 0.00 O ATOM 1087 CB VAL A 73 7.779 18.913 -17.485 1.00 0.00 C ATOM 1088 CG1 VAL A 73 7.575 19.060 -18.996 1.00 0.00 C ATOM 1089 CG2 VAL A 73 7.853 20.305 -16.844 1.00 0.00 C ATOM 0 H VAL A 73 5.253 19.764 -16.693 1.00 0.00 H new ATOM 0 HA VAL A 73 6.577 17.105 -17.259 1.00 0.00 H new ATOM 0 HB VAL A 73 8.708 18.376 -17.294 1.00 0.00 H new ATOM 0 HG11 VAL A 73 8.407 19.620 -19.423 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.529 18.072 -19.455 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.643 19.593 -19.187 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.685 20.861 -17.277 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.922 20.841 -17.030 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.005 20.203 -15.769 1.00 0.00 H new ATOM 1099 N LEU A 74 7.456 17.058 -14.859 1.00 0.00 N ATOM 1100 CA LEU A 74 7.615 16.942 -13.381 1.00 0.00 C ATOM 1101 C LEU A 74 9.076 17.177 -12.995 1.00 0.00 C ATOM 1102 O LEU A 74 9.963 16.457 -13.412 1.00 0.00 O ATOM 1103 CB LEU A 74 7.183 15.516 -13.044 1.00 0.00 C ATOM 1104 CG LEU A 74 5.724 15.313 -13.454 1.00 0.00 C ATOM 1105 CD1 LEU A 74 5.673 14.662 -14.838 1.00 0.00 C ATOM 1106 CD2 LEU A 74 5.029 14.406 -12.436 1.00 0.00 C ATOM 0 H LEU A 74 7.927 16.339 -15.408 1.00 0.00 H new ATOM 0 HA LEU A 74 7.022 17.678 -12.838 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.820 14.800 -13.563 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.300 15.332 -11.976 1.00 0.00 H new ATOM 0 HG LEU A 74 5.216 16.277 -13.486 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.634 14.516 -15.133 1.00 0.00 H new ATOM 0 HD12 LEU A 74 6.169 15.308 -15.562 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.180 13.698 -14.805 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.989 14.261 -12.728 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.535 13.441 -12.404 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.068 14.869 -11.450 1.00 0.00 H new ATOM 1118 N ILE A 75 9.333 18.187 -12.210 1.00 0.00 N ATOM 1119 CA ILE A 75 10.736 18.482 -11.801 1.00 0.00 C ATOM 1120 C ILE A 75 11.136 17.622 -10.603 1.00 0.00 C ATOM 1121 O ILE A 75 10.848 17.949 -9.469 1.00 0.00 O ATOM 1122 CB ILE A 75 10.737 19.963 -11.419 1.00 0.00 C ATOM 1123 CG1 ILE A 75 10.308 20.804 -12.626 1.00 0.00 C ATOM 1124 CG2 ILE A 75 12.145 20.377 -10.984 1.00 0.00 C ATOM 1125 CD1 ILE A 75 11.236 20.517 -13.809 1.00 0.00 C ATOM 0 H ILE A 75 8.630 18.823 -11.833 1.00 0.00 H new ATOM 0 HA ILE A 75 11.448 18.264 -12.597 1.00 0.00 H new ATOM 0 HB ILE A 75 10.040 20.126 -10.597 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.277 20.573 -12.895 1.00 0.00 H new ATOM 0 HG13 ILE A 75 10.341 21.864 -12.374 1.00 0.00 H new ATOM 0 HG21 ILE A 75 12.146 21.432 -10.712 1.00 0.00 H new ATOM 0 HG22 ILE A 75 12.451 19.780 -10.125 1.00 0.00 H new ATOM 0 HG23 ILE A 75 12.842 20.214 -11.806 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.929 21.116 -14.666 1.00 0.00 H new ATOM 0 HD12 ILE A 75 12.261 20.771 -13.537 1.00 0.00 H new ATOM 0 HD13 ILE A 75 11.180 19.459 -14.067 1.00 0.00 H new ATOM 1137 N PHE A 76 11.805 16.530 -10.847 1.00 0.00 N ATOM 1138 CA PHE A 76 12.231 15.654 -9.719 1.00 0.00 C ATOM 1139 C PHE A 76 13.694 15.932 -9.367 1.00 0.00 C ATOM 1140 O PHE A 76 14.596 15.607 -10.115 1.00 0.00 O ATOM 1141 CB PHE A 76 12.053 14.222 -10.234 1.00 0.00 C ATOM 1142 CG PHE A 76 12.451 13.227 -9.162 1.00 0.00 C ATOM 1143 CD1 PHE A 76 12.265 13.531 -7.805 1.00 0.00 C ATOM 1144 CD2 PHE A 76 13.007 11.997 -9.531 1.00 0.00 C ATOM 1145 CE1 PHE A 76 12.636 12.605 -6.823 1.00 0.00 C ATOM 1146 CE2 PHE A 76 13.378 11.072 -8.547 1.00 0.00 C ATOM 1147 CZ PHE A 76 13.193 11.377 -7.193 1.00 0.00 C ATOM 0 H PHE A 76 12.075 16.206 -11.776 1.00 0.00 H new ATOM 0 HA PHE A 76 11.650 15.827 -8.813 1.00 0.00 H new ATOM 0 HB2 PHE A 76 11.015 14.059 -10.525 1.00 0.00 H new ATOM 0 HB3 PHE A 76 12.662 14.070 -11.125 1.00 0.00 H new ATOM 0 HD1 PHE A 76 11.836 14.479 -7.518 1.00 0.00 H new ATOM 0 HD2 PHE A 76 13.150 11.761 -10.575 1.00 0.00 H new ATOM 0 HE1 PHE A 76 12.492 12.839 -5.779 1.00 0.00 H new ATOM 0 HE2 PHE A 76 13.807 10.123 -8.833 1.00 0.00 H new ATOM 0 HZ PHE A 76 13.480 10.664 -6.435 1.00 0.00 H new ATOM 1157 N ALA A 77 13.934 16.538 -8.232 1.00 0.00 N ATOM 1158 CA ALA A 77 15.337 16.850 -7.821 1.00 0.00 C ATOM 1159 C ALA A 77 16.023 17.716 -8.882 1.00 0.00 C ATOM 1160 O ALA A 77 17.231 17.703 -9.019 1.00 0.00 O ATOM 1161 CB ALA A 77 16.036 15.493 -7.701 1.00 0.00 C ATOM 0 H ALA A 77 13.216 16.831 -7.570 1.00 0.00 H new ATOM 0 HA ALA A 77 15.373 17.407 -6.885 1.00 0.00 H new ATOM 0 HB1 ALA A 77 17.073 15.643 -7.402 1.00 0.00 H new ATOM 0 HB2 ALA A 77 15.527 14.886 -6.952 1.00 0.00 H new ATOM 0 HB3 ALA A 77 16.006 14.982 -8.663 1.00 0.00 H new ATOM 1167 N GLY A 78 15.263 18.471 -9.631 1.00 0.00 N ATOM 1168 CA GLY A 78 15.871 19.338 -10.681 1.00 0.00 C ATOM 1169 C GLY A 78 15.773 18.642 -12.039 1.00 0.00 C ATOM 1170 O GLY A 78 15.571 19.275 -13.057 1.00 0.00 O ATOM 0 H GLY A 78 14.247 18.524 -9.560 1.00 0.00 H new ATOM 0 HA2 GLY A 78 15.358 20.299 -10.716 1.00 0.00 H new ATOM 0 HA3 GLY A 78 16.914 19.542 -10.440 1.00 0.00 H new ATOM 1174 N LYS A 79 15.913 17.344 -12.062 1.00 0.00 N ATOM 1175 CA LYS A 79 15.828 16.606 -13.357 1.00 0.00 C ATOM 1176 C LYS A 79 14.434 16.772 -13.968 1.00 0.00 C ATOM 1177 O LYS A 79 13.578 17.433 -13.409 1.00 0.00 O ATOM 1178 CB LYS A 79 16.084 15.140 -12.998 1.00 0.00 C ATOM 1179 CG LYS A 79 16.929 14.483 -14.093 1.00 0.00 C ATOM 1180 CD LYS A 79 18.391 14.426 -13.646 1.00 0.00 C ATOM 1181 CE LYS A 79 19.107 15.708 -14.075 1.00 0.00 C ATOM 1182 NZ LYS A 79 20.556 15.369 -14.036 1.00 0.00 N ATOM 0 H LYS A 79 16.082 16.762 -11.241 1.00 0.00 H new ATOM 0 HA LYS A 79 16.544 16.976 -14.090 1.00 0.00 H new ATOM 0 HB2 LYS A 79 16.598 15.074 -12.039 1.00 0.00 H new ATOM 0 HB3 LYS A 79 15.137 14.611 -12.889 1.00 0.00 H new ATOM 0 HG2 LYS A 79 16.561 13.478 -14.297 1.00 0.00 H new ATOM 0 HG3 LYS A 79 16.843 15.048 -15.021 1.00 0.00 H new ATOM 0 HD2 LYS A 79 18.447 14.311 -12.564 1.00 0.00 H new ATOM 0 HD3 LYS A 79 18.883 13.558 -14.085 1.00 0.00 H new ATOM 0 HE2 LYS A 79 18.800 16.016 -15.074 1.00 0.00 H new ATOM 0 HE3 LYS A 79 18.876 16.534 -13.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 21.115 16.200 -14.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 20.820 15.086 -13.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 20.747 14.585 -14.692 1.00 0.00 H new ATOM 1196 N ILE A 80 14.197 16.172 -15.103 1.00 0.00 N ATOM 1197 CA ILE A 80 12.852 16.293 -15.746 1.00 0.00 C ATOM 1198 C ILE A 80 12.113 14.960 -15.683 1.00 0.00 C ATOM 1199 O ILE A 80 12.099 14.207 -16.638 1.00 0.00 O ATOM 1200 CB ILE A 80 13.072 16.695 -17.219 1.00 0.00 C ATOM 1201 CG1 ILE A 80 14.443 16.228 -17.734 1.00 0.00 C ATOM 1202 CG2 ILE A 80 12.985 18.216 -17.344 1.00 0.00 C ATOM 1203 CD1 ILE A 80 14.489 14.700 -17.771 1.00 0.00 C ATOM 0 H ILE A 80 14.873 15.604 -15.614 1.00 0.00 H new ATOM 0 HA ILE A 80 12.252 17.040 -15.226 1.00 0.00 H new ATOM 0 HB ILE A 80 12.299 16.215 -17.819 1.00 0.00 H new ATOM 0 HG12 ILE A 80 14.624 16.631 -18.731 1.00 0.00 H new ATOM 0 HG13 ILE A 80 15.234 16.609 -17.088 1.00 0.00 H new ATOM 0 HG21 ILE A 80 13.140 18.505 -18.383 1.00 0.00 H new ATOM 0 HG22 ILE A 80 12.001 18.552 -17.017 1.00 0.00 H new ATOM 0 HG23 ILE A 80 13.752 18.677 -16.721 1.00 0.00 H new ATOM 0 HD11 ILE A 80 15.463 14.374 -18.137 1.00 0.00 H new ATOM 0 HD12 ILE A 80 14.328 14.307 -16.767 1.00 0.00 H new ATOM 0 HD13 ILE A 80 13.709 14.328 -18.436 1.00 0.00 H new ATOM 1215 N LEU A 81 11.475 14.663 -14.583 1.00 0.00 N ATOM 1216 CA LEU A 81 10.722 13.380 -14.505 1.00 0.00 C ATOM 1217 C LEU A 81 9.657 13.388 -15.600 1.00 0.00 C ATOM 1218 O LEU A 81 8.596 13.965 -15.449 1.00 0.00 O ATOM 1219 CB LEU A 81 10.088 13.356 -13.112 1.00 0.00 C ATOM 1220 CG LEU A 81 9.332 12.038 -12.916 1.00 0.00 C ATOM 1221 CD1 LEU A 81 9.541 11.536 -11.487 1.00 0.00 C ATOM 1222 CD2 LEU A 81 7.837 12.261 -13.156 1.00 0.00 C ATOM 0 H LEU A 81 11.443 15.245 -13.746 1.00 0.00 H new ATOM 0 HA LEU A 81 11.349 12.500 -14.651 1.00 0.00 H new ATOM 0 HB2 LEU A 81 10.859 13.462 -12.348 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.407 14.199 -12.997 1.00 0.00 H new ATOM 0 HG LEU A 81 9.710 11.300 -13.624 1.00 0.00 H new ATOM 0 HD11 LEU A 81 9.003 10.598 -11.348 1.00 0.00 H new ATOM 0 HD12 LEU A 81 10.604 11.374 -11.310 1.00 0.00 H new ATOM 0 HD13 LEU A 81 9.165 12.278 -10.782 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.302 11.322 -13.016 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.462 13.001 -12.450 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.681 12.619 -14.174 1.00 0.00 H new ATOM 1234 N LYS A 82 9.953 12.784 -16.720 1.00 0.00 N ATOM 1235 CA LYS A 82 8.979 12.783 -17.843 1.00 0.00 C ATOM 1236 C LYS A 82 9.302 11.659 -18.836 1.00 0.00 C ATOM 1237 O LYS A 82 9.773 10.604 -18.461 1.00 0.00 O ATOM 1238 CB LYS A 82 9.152 14.154 -18.497 1.00 0.00 C ATOM 1239 CG LYS A 82 7.807 14.628 -19.044 1.00 0.00 C ATOM 1240 CD LYS A 82 7.889 16.114 -19.394 1.00 0.00 C ATOM 1241 CE LYS A 82 8.850 16.313 -20.569 1.00 0.00 C ATOM 1242 NZ LYS A 82 8.002 16.181 -21.787 1.00 0.00 N ATOM 0 H LYS A 82 10.828 12.292 -16.903 1.00 0.00 H new ATOM 0 HA LYS A 82 7.956 12.611 -17.509 1.00 0.00 H new ATOM 0 HB2 LYS A 82 9.534 14.870 -17.770 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.884 14.095 -19.302 1.00 0.00 H new ATOM 0 HG2 LYS A 82 7.539 14.050 -19.929 1.00 0.00 H new ATOM 0 HG3 LYS A 82 7.023 14.461 -18.305 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.900 16.492 -19.652 1.00 0.00 H new ATOM 0 HD3 LYS A 82 8.232 16.683 -18.530 1.00 0.00 H new ATOM 0 HE2 LYS A 82 9.329 17.291 -20.526 1.00 0.00 H new ATOM 0 HE3 LYS A 82 9.645 15.568 -20.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 8.330 15.372 -22.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.012 16.029 -21.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 8.071 17.050 -22.354 1.00 0.00 H new ATOM 1256 N ASP A 83 9.049 11.879 -20.099 1.00 0.00 N ATOM 1257 CA ASP A 83 9.334 10.828 -21.119 1.00 0.00 C ATOM 1258 C ASP A 83 10.841 10.703 -21.346 1.00 0.00 C ATOM 1259 O ASP A 83 11.321 9.709 -21.854 1.00 0.00 O ATOM 1260 CB ASP A 83 8.627 11.300 -22.391 1.00 0.00 C ATOM 1261 CG ASP A 83 9.169 12.669 -22.808 1.00 0.00 C ATOM 1262 OD1 ASP A 83 10.191 12.701 -23.473 1.00 0.00 O ATOM 1263 OD2 ASP A 83 8.552 13.661 -22.455 1.00 0.00 O ATOM 0 H ASP A 83 8.656 12.744 -20.469 1.00 0.00 H new ATOM 0 HA ASP A 83 8.983 9.845 -20.806 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.781 10.578 -23.193 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.552 11.361 -22.219 1.00 0.00 H new ATOM 1268 N GLN A 84 11.592 11.703 -20.967 1.00 0.00 N ATOM 1269 CA GLN A 84 13.071 11.647 -21.153 1.00 0.00 C ATOM 1270 C GLN A 84 13.629 10.361 -20.538 1.00 0.00 C ATOM 1271 O GLN A 84 14.595 9.801 -21.019 1.00 0.00 O ATOM 1272 CB GLN A 84 13.613 12.873 -20.418 1.00 0.00 C ATOM 1273 CG GLN A 84 14.827 13.424 -21.169 1.00 0.00 C ATOM 1274 CD GLN A 84 16.104 12.794 -20.609 1.00 0.00 C ATOM 1275 OE1 GLN A 84 16.682 13.300 -19.668 1.00 0.00 O ATOM 1276 NE2 GLN A 84 16.572 11.703 -21.152 1.00 0.00 N ATOM 0 H GLN A 84 11.243 12.559 -20.535 1.00 0.00 H new ATOM 0 HA GLN A 84 13.356 11.648 -22.205 1.00 0.00 H new ATOM 0 HB2 GLN A 84 12.840 13.638 -20.345 1.00 0.00 H new ATOM 0 HB3 GLN A 84 13.893 12.605 -19.399 1.00 0.00 H new ATOM 0 HG2 GLN A 84 14.739 13.207 -22.233 1.00 0.00 H new ATOM 0 HG3 GLN A 84 14.869 14.508 -21.067 1.00 0.00 H new ATOM 0 HE21 GLN A 84 16.087 11.278 -21.942 1.00 0.00 H new ATOM 0 HE22 GLN A 84 17.423 11.276 -20.786 1.00 0.00 H new ATOM 1285 N ASP A 85 13.029 9.890 -19.475 1.00 0.00 N ATOM 1286 CA ASP A 85 13.534 8.639 -18.833 1.00 0.00 C ATOM 1287 C ASP A 85 12.398 7.910 -18.111 1.00 0.00 C ATOM 1288 O ASP A 85 11.327 8.451 -17.912 1.00 0.00 O ATOM 1289 CB ASP A 85 14.593 9.108 -17.831 1.00 0.00 C ATOM 1290 CG ASP A 85 15.973 8.623 -18.277 1.00 0.00 C ATOM 1291 OD1 ASP A 85 16.209 8.593 -19.474 1.00 0.00 O ATOM 1292 OD2 ASP A 85 16.770 8.290 -17.417 1.00 0.00 O ATOM 0 H ASP A 85 12.217 10.314 -19.026 1.00 0.00 H new ATOM 0 HA ASP A 85 13.941 7.939 -19.563 1.00 0.00 H new ATOM 0 HB2 ASP A 85 14.584 10.196 -17.760 1.00 0.00 H new ATOM 0 HB3 ASP A 85 14.364 8.722 -16.838 1.00 0.00 H new ATOM 1297 N THR A 86 12.625 6.685 -17.714 1.00 0.00 N ATOM 1298 CA THR A 86 11.563 5.920 -16.999 1.00 0.00 C ATOM 1299 C THR A 86 11.613 6.242 -15.504 1.00 0.00 C ATOM 1300 O THR A 86 12.603 6.738 -15.001 1.00 0.00 O ATOM 1301 CB THR A 86 11.888 4.446 -17.247 1.00 0.00 C ATOM 1302 OG1 THR A 86 13.280 4.227 -17.049 1.00 0.00 O ATOM 1303 CG2 THR A 86 11.501 4.070 -18.680 1.00 0.00 C ATOM 0 H THR A 86 13.501 6.182 -17.855 1.00 0.00 H new ATOM 0 HA THR A 86 10.562 6.171 -17.350 1.00 0.00 H new ATOM 0 HB THR A 86 11.324 3.826 -16.550 1.00 0.00 H new ATOM 0 HG1 THR A 86 13.442 3.274 -16.889 1.00 0.00 H new ATOM 0 HG21 THR A 86 11.733 3.020 -18.856 1.00 0.00 H new ATOM 0 HG22 THR A 86 10.433 4.235 -18.824 1.00 0.00 H new ATOM 0 HG23 THR A 86 12.061 4.688 -19.382 1.00 0.00 H new ATOM 1311 N LEU A 87 10.554 5.973 -14.793 1.00 0.00 N ATOM 1312 CA LEU A 87 10.542 6.275 -13.332 1.00 0.00 C ATOM 1313 C LEU A 87 11.546 5.395 -12.585 1.00 0.00 C ATOM 1314 O LEU A 87 12.310 5.873 -11.771 1.00 0.00 O ATOM 1315 CB LEU A 87 9.111 5.992 -12.873 1.00 0.00 C ATOM 1316 CG LEU A 87 8.496 7.273 -12.302 1.00 0.00 C ATOM 1317 CD1 LEU A 87 8.474 8.368 -13.373 1.00 0.00 C ATOM 1318 CD2 LEU A 87 7.068 6.986 -11.834 1.00 0.00 C ATOM 0 H LEU A 87 9.697 5.558 -15.158 1.00 0.00 H new ATOM 0 HA LEU A 87 10.833 7.306 -13.128 1.00 0.00 H new ATOM 0 HB2 LEU A 87 8.514 5.631 -13.710 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.109 5.206 -12.117 1.00 0.00 H new ATOM 0 HG LEU A 87 9.097 7.613 -11.459 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.035 9.275 -12.957 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.492 8.576 -13.702 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.879 8.034 -14.223 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.628 7.897 -11.427 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.471 6.641 -12.678 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.086 6.216 -11.063 1.00 0.00 H new ATOM 1330 N ILE A 88 11.562 4.117 -12.856 1.00 0.00 N ATOM 1331 CA ILE A 88 12.534 3.228 -12.152 1.00 0.00 C ATOM 1332 C ILE A 88 13.966 3.627 -12.506 1.00 0.00 C ATOM 1333 O ILE A 88 14.905 3.281 -11.816 1.00 0.00 O ATOM 1334 CB ILE A 88 12.241 1.817 -12.658 1.00 0.00 C ATOM 1335 CG1 ILE A 88 12.296 1.794 -14.192 1.00 0.00 C ATOM 1336 CG2 ILE A 88 10.854 1.387 -12.187 1.00 0.00 C ATOM 1337 CD1 ILE A 88 13.054 0.550 -14.661 1.00 0.00 C ATOM 0 H ILE A 88 10.951 3.653 -13.528 1.00 0.00 H new ATOM 0 HA ILE A 88 12.435 3.299 -11.069 1.00 0.00 H new ATOM 0 HB ILE A 88 12.988 1.129 -12.263 1.00 0.00 H new ATOM 0 HG12 ILE A 88 11.286 1.793 -14.602 1.00 0.00 H new ATOM 0 HG13 ILE A 88 12.789 2.693 -14.562 1.00 0.00 H new ATOM 0 HG21 ILE A 88 10.643 0.380 -12.547 1.00 0.00 H new ATOM 0 HG22 ILE A 88 10.820 1.397 -11.098 1.00 0.00 H new ATOM 0 HG23 ILE A 88 10.107 2.077 -12.579 1.00 0.00 H new ATOM 0 HD11 ILE A 88 13.092 0.536 -15.750 1.00 0.00 H new ATOM 0 HD12 ILE A 88 14.069 0.571 -14.263 1.00 0.00 H new ATOM 0 HD13 ILE A 88 12.542 -0.344 -14.304 1.00 0.00 H new ATOM 1349 N GLN A 89 14.144 4.345 -13.583 1.00 0.00 N ATOM 1350 CA GLN A 89 15.517 4.754 -13.985 1.00 0.00 C ATOM 1351 C GLN A 89 15.860 6.139 -13.431 1.00 0.00 C ATOM 1352 O GLN A 89 17.004 6.549 -13.453 1.00 0.00 O ATOM 1353 CB GLN A 89 15.490 4.779 -15.513 1.00 0.00 C ATOM 1354 CG GLN A 89 16.909 4.990 -16.044 1.00 0.00 C ATOM 1355 CD GLN A 89 17.760 3.759 -15.729 1.00 0.00 C ATOM 1356 OE1 GLN A 89 18.771 3.859 -15.062 1.00 0.00 O ATOM 1357 NE2 GLN A 89 17.392 2.592 -16.183 1.00 0.00 N ATOM 0 H GLN A 89 13.397 4.665 -14.200 1.00 0.00 H new ATOM 0 HA GLN A 89 16.273 4.072 -13.597 1.00 0.00 H new ATOM 0 HB2 GLN A 89 15.082 3.843 -15.896 1.00 0.00 H new ATOM 0 HB3 GLN A 89 14.837 5.578 -15.863 1.00 0.00 H new ATOM 0 HG2 GLN A 89 16.884 5.162 -17.120 1.00 0.00 H new ATOM 0 HG3 GLN A 89 17.351 5.877 -15.589 1.00 0.00 H new ATOM 0 HE21 GLN A 89 16.544 2.507 -16.743 1.00 0.00 H new ATOM 0 HE22 GLN A 89 17.953 1.765 -15.978 1.00 0.00 H new ATOM 1366 N HIS A 90 14.889 6.873 -12.935 1.00 0.00 N ATOM 1367 CA HIS A 90 15.203 8.233 -12.390 1.00 0.00 C ATOM 1368 C HIS A 90 13.941 8.955 -11.902 1.00 0.00 C ATOM 1369 O HIS A 90 14.006 9.771 -11.005 1.00 0.00 O ATOM 1370 CB HIS A 90 15.817 9.002 -13.561 1.00 0.00 C ATOM 1371 CG HIS A 90 17.273 9.270 -13.286 1.00 0.00 C ATOM 1372 ND1 HIS A 90 18.284 8.741 -14.073 1.00 0.00 N ATOM 1373 CD2 HIS A 90 17.902 10.012 -12.317 1.00 0.00 C ATOM 1374 CE1 HIS A 90 19.456 9.167 -13.568 1.00 0.00 C ATOM 1375 NE2 HIS A 90 19.281 9.945 -12.496 1.00 0.00 N ATOM 0 H HIS A 90 13.909 6.595 -12.885 1.00 0.00 H new ATOM 0 HA HIS A 90 15.871 8.163 -11.531 1.00 0.00 H new ATOM 0 HB2 HIS A 90 15.711 8.428 -14.481 1.00 0.00 H new ATOM 0 HB3 HIS A 90 15.286 9.942 -13.709 1.00 0.00 H new ATOM 0 HD2 HIS A 90 17.403 10.564 -11.534 1.00 0.00 H new ATOM 0 HE1 HIS A 90 20.421 8.911 -13.979 1.00 0.00 H new ATOM 0 HE2 HIS A 90 20.002 10.393 -11.931 1.00 0.00 H new ATOM 1383 N GLY A 91 12.800 8.684 -12.483 1.00 0.00 N ATOM 1384 CA GLY A 91 11.564 9.393 -12.033 1.00 0.00 C ATOM 1385 C GLY A 91 11.341 9.108 -10.549 1.00 0.00 C ATOM 1386 O GLY A 91 11.169 10.011 -9.754 1.00 0.00 O ATOM 0 H GLY A 91 12.671 8.012 -13.239 1.00 0.00 H new ATOM 0 HA2 GLY A 91 11.663 10.466 -12.200 1.00 0.00 H new ATOM 0 HA3 GLY A 91 10.705 9.058 -12.614 1.00 0.00 H new ATOM 1390 N ILE A 92 11.364 7.862 -10.165 1.00 0.00 N ATOM 1391 CA ILE A 92 11.181 7.520 -8.731 1.00 0.00 C ATOM 1392 C ILE A 92 11.927 6.221 -8.427 1.00 0.00 C ATOM 1393 O ILE A 92 12.371 5.529 -9.323 1.00 0.00 O ATOM 1394 CB ILE A 92 9.676 7.331 -8.540 1.00 0.00 C ATOM 1395 CG1 ILE A 92 9.190 6.199 -9.448 1.00 0.00 C ATOM 1396 CG2 ILE A 92 8.940 8.626 -8.891 1.00 0.00 C ATOM 1397 CD1 ILE A 92 9.373 4.862 -8.731 1.00 0.00 C ATOM 0 H ILE A 92 11.502 7.065 -10.786 1.00 0.00 H new ATOM 0 HA ILE A 92 11.568 8.291 -8.065 1.00 0.00 H new ATOM 0 HB ILE A 92 9.472 7.078 -7.500 1.00 0.00 H new ATOM 0 HG12 ILE A 92 8.141 6.347 -9.703 1.00 0.00 H new ATOM 0 HG13 ILE A 92 9.749 6.202 -10.384 1.00 0.00 H new ATOM 0 HG21 ILE A 92 7.868 8.484 -8.753 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.287 9.429 -8.241 1.00 0.00 H new ATOM 0 HG23 ILE A 92 9.140 8.888 -9.930 1.00 0.00 H new ATOM 0 HD11 ILE A 92 9.028 4.053 -9.375 1.00 0.00 H new ATOM 0 HD12 ILE A 92 10.428 4.715 -8.498 1.00 0.00 H new ATOM 0 HD13 ILE A 92 8.794 4.862 -7.807 1.00 0.00 H new ATOM 1409 N HIS A 93 12.056 5.874 -7.180 1.00 0.00 N ATOM 1410 CA HIS A 93 12.759 4.610 -6.835 1.00 0.00 C ATOM 1411 C HIS A 93 11.780 3.652 -6.147 1.00 0.00 C ATOM 1412 O HIS A 93 11.880 2.448 -6.276 1.00 0.00 O ATOM 1413 CB HIS A 93 13.883 5.027 -5.887 1.00 0.00 C ATOM 1414 CG HIS A 93 15.084 5.459 -6.687 1.00 0.00 C ATOM 1415 ND1 HIS A 93 15.208 6.074 -7.913 1.00 0.00 N flip ATOM 1416 CD2 HIS A 93 16.379 5.271 -6.229 1.00 0.00 C flip ATOM 1417 CE1 HIS A 93 16.555 6.263 -8.208 1.00 0.00 C flip ATOM 1418 NE2 HIS A 93 17.216 5.762 -7.161 1.00 0.00 N flip ATOM 0 H HIS A 93 11.706 6.409 -6.385 1.00 0.00 H new ATOM 0 HA HIS A 93 13.152 4.090 -7.709 1.00 0.00 H new ATOM 0 HB2 HIS A 93 13.548 5.842 -5.246 1.00 0.00 H new ATOM 0 HB3 HIS A 93 14.148 4.196 -5.233 1.00 0.00 H new ATOM 0 HD2 HIS A 93 16.664 4.813 -5.293 1.00 0.00 H new ATOM 0 HE1 HIS A 93 16.975 6.717 -9.093 1.00 0.00 H new ATOM 0 HE2 HIS A 93 18.233 5.753 -7.078 1.00 0.00 H new ATOM 1426 N ASP A 94 10.827 4.188 -5.427 1.00 0.00 N ATOM 1427 CA ASP A 94 9.820 3.330 -4.731 1.00 0.00 C ATOM 1428 C ASP A 94 8.806 4.210 -3.993 1.00 0.00 C ATOM 1429 O ASP A 94 8.331 3.865 -2.928 1.00 0.00 O ATOM 1430 CB ASP A 94 10.618 2.483 -3.736 1.00 0.00 C ATOM 1431 CG ASP A 94 9.677 1.510 -3.024 1.00 0.00 C ATOM 1432 OD1 ASP A 94 8.845 0.923 -3.696 1.00 0.00 O ATOM 1433 OD2 ASP A 94 9.804 1.369 -1.819 1.00 0.00 O ATOM 0 H ASP A 94 10.703 5.191 -5.291 1.00 0.00 H new ATOM 0 HA ASP A 94 9.261 2.706 -5.429 1.00 0.00 H new ATOM 0 HB2 ASP A 94 11.401 1.932 -4.257 1.00 0.00 H new ATOM 0 HB3 ASP A 94 11.111 3.127 -3.008 1.00 0.00 H new ATOM 1438 N GLY A 95 8.472 5.344 -4.551 1.00 0.00 N ATOM 1439 CA GLY A 95 7.491 6.247 -3.882 1.00 0.00 C ATOM 1440 C GLY A 95 8.167 7.576 -3.538 1.00 0.00 C ATOM 1441 O GLY A 95 8.407 7.880 -2.386 1.00 0.00 O ATOM 0 H GLY A 95 8.836 5.683 -5.441 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.637 6.421 -4.536 1.00 0.00 H new ATOM 0 HA3 GLY A 95 7.108 5.777 -2.976 1.00 0.00 H new ATOM 1445 N LEU A 96 8.476 8.370 -4.528 1.00 0.00 N ATOM 1446 CA LEU A 96 9.138 9.682 -4.261 1.00 0.00 C ATOM 1447 C LEU A 96 8.188 10.834 -4.604 1.00 0.00 C ATOM 1448 O LEU A 96 7.134 10.631 -5.172 1.00 0.00 O ATOM 1449 CB LEU A 96 10.363 9.703 -5.179 1.00 0.00 C ATOM 1450 CG LEU A 96 11.614 9.296 -4.393 1.00 0.00 C ATOM 1451 CD1 LEU A 96 11.858 10.291 -3.255 1.00 0.00 C ATOM 1452 CD2 LEU A 96 11.422 7.891 -3.811 1.00 0.00 C ATOM 0 H LEU A 96 8.299 8.167 -5.512 1.00 0.00 H new ATOM 0 HA LEU A 96 9.413 9.800 -3.213 1.00 0.00 H new ATOM 0 HB2 LEU A 96 10.212 9.022 -6.016 1.00 0.00 H new ATOM 0 HB3 LEU A 96 10.496 10.700 -5.599 1.00 0.00 H new ATOM 0 HG LEU A 96 12.474 9.297 -5.063 1.00 0.00 H new ATOM 0 HD11 LEU A 96 12.748 9.997 -2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 96 12.002 11.289 -3.669 1.00 0.00 H new ATOM 0 HD13 LEU A 96 10.998 10.296 -2.586 1.00 0.00 H new ATOM 0 HD21 LEU A 96 12.313 7.604 -3.253 1.00 0.00 H new ATOM 0 HD22 LEU A 96 10.559 7.888 -3.145 1.00 0.00 H new ATOM 0 HD23 LEU A 96 11.257 7.181 -4.621 1.00 0.00 H new ATOM 1464 N THR A 97 8.556 12.041 -4.263 1.00 0.00 N ATOM 1465 CA THR A 97 7.676 13.208 -4.568 1.00 0.00 C ATOM 1466 C THR A 97 8.325 14.101 -5.630 1.00 0.00 C ATOM 1467 O THR A 97 9.520 14.325 -5.618 1.00 0.00 O ATOM 1468 CB THR A 97 7.542 13.960 -3.242 1.00 0.00 C ATOM 1469 OG1 THR A 97 7.093 13.064 -2.235 1.00 0.00 O ATOM 1470 CG2 THR A 97 6.536 15.101 -3.400 1.00 0.00 C ATOM 0 H THR A 97 9.428 12.269 -3.786 1.00 0.00 H new ATOM 0 HA THR A 97 6.707 12.902 -4.963 1.00 0.00 H new ATOM 0 HB THR A 97 8.510 14.371 -2.957 1.00 0.00 H new ATOM 0 HG1 THR A 97 7.008 13.544 -1.385 1.00 0.00 H new ATOM 0 HG21 THR A 97 6.441 15.636 -2.455 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.883 15.787 -4.172 1.00 0.00 H new ATOM 0 HG23 THR A 97 5.566 14.694 -3.685 1.00 0.00 H new ATOM 1478 N VAL A 98 7.546 14.609 -6.547 1.00 0.00 N ATOM 1479 CA VAL A 98 8.117 15.484 -7.614 1.00 0.00 C ATOM 1480 C VAL A 98 7.201 16.689 -7.860 1.00 0.00 C ATOM 1481 O VAL A 98 6.017 16.643 -7.590 1.00 0.00 O ATOM 1482 CB VAL A 98 8.185 14.597 -8.858 1.00 0.00 C ATOM 1483 CG1 VAL A 98 8.796 15.386 -10.015 1.00 0.00 C ATOM 1484 CG2 VAL A 98 9.055 13.371 -8.562 1.00 0.00 C ATOM 0 H VAL A 98 6.539 14.457 -6.604 1.00 0.00 H new ATOM 0 HA VAL A 98 9.095 15.882 -7.343 1.00 0.00 H new ATOM 0 HB VAL A 98 7.180 14.275 -9.129 1.00 0.00 H new ATOM 0 HG11 VAL A 98 8.844 14.753 -10.901 1.00 0.00 H new ATOM 0 HG12 VAL A 98 8.179 16.259 -10.226 1.00 0.00 H new ATOM 0 HG13 VAL A 98 9.801 15.709 -9.744 1.00 0.00 H new ATOM 0 HG21 VAL A 98 9.105 12.738 -9.448 1.00 0.00 H new ATOM 0 HG22 VAL A 98 10.060 13.695 -8.291 1.00 0.00 H new ATOM 0 HG23 VAL A 98 8.620 12.807 -7.737 1.00 0.00 H new ATOM 1494 N HIS A 99 7.741 17.767 -8.369 1.00 0.00 N ATOM 1495 CA HIS A 99 6.899 18.972 -8.629 1.00 0.00 C ATOM 1496 C HIS A 99 6.329 18.929 -10.050 1.00 0.00 C ATOM 1497 O HIS A 99 7.061 18.866 -11.018 1.00 0.00 O ATOM 1498 CB HIS A 99 7.849 20.160 -8.467 1.00 0.00 C ATOM 1499 CG HIS A 99 8.275 20.269 -7.029 1.00 0.00 C ATOM 1500 ND1 HIS A 99 9.427 20.938 -6.648 1.00 0.00 N ATOM 1501 CD2 HIS A 99 7.711 19.802 -5.867 1.00 0.00 C ATOM 1502 CE1 HIS A 99 9.520 20.855 -5.308 1.00 0.00 C ATOM 1503 NE2 HIS A 99 8.500 20.172 -4.781 1.00 0.00 N ATOM 0 H HIS A 99 8.726 17.864 -8.615 1.00 0.00 H new ATOM 0 HA HIS A 99 6.048 19.033 -7.951 1.00 0.00 H new ATOM 0 HB2 HIS A 99 8.722 20.031 -9.107 1.00 0.00 H new ATOM 0 HB3 HIS A 99 7.356 21.079 -8.782 1.00 0.00 H new ATOM 0 HD2 HIS A 99 6.795 19.234 -5.805 1.00 0.00 H new ATOM 0 HE1 HIS A 99 10.322 21.288 -4.729 1.00 0.00 H new ATOM 0 HE2 HIS A 99 8.335 19.966 -3.796 1.00 0.00 H new ATOM 1511 N LEU A 100 5.031 18.966 -10.182 1.00 0.00 N ATOM 1512 CA LEU A 100 4.417 18.931 -11.542 1.00 0.00 C ATOM 1513 C LEU A 100 4.019 20.344 -11.979 1.00 0.00 C ATOM 1514 O LEU A 100 3.209 20.992 -11.347 1.00 0.00 O ATOM 1515 CB LEU A 100 3.177 18.045 -11.397 1.00 0.00 C ATOM 1516 CG LEU A 100 2.548 17.817 -12.773 1.00 0.00 C ATOM 1517 CD1 LEU A 100 1.934 16.418 -12.829 1.00 0.00 C ATOM 1518 CD2 LEU A 100 1.455 18.862 -13.014 1.00 0.00 C ATOM 0 H LEU A 100 4.369 19.019 -9.408 1.00 0.00 H new ATOM 0 HA LEU A 100 5.105 18.547 -12.295 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.450 17.090 -10.948 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.456 18.517 -10.730 1.00 0.00 H new ATOM 0 HG LEU A 100 3.315 17.908 -13.542 1.00 0.00 H new ATOM 0 HD11 LEU A 100 1.486 16.256 -13.809 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.711 15.673 -12.657 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.167 16.326 -12.060 1.00 0.00 H new ATOM 0 HD21 LEU A 100 1.007 18.700 -13.994 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.688 18.771 -12.245 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.891 19.860 -12.975 1.00 0.00 H new ATOM 1530 N VAL A 101 4.583 20.822 -13.055 1.00 0.00 N ATOM 1531 CA VAL A 101 4.238 22.194 -13.533 1.00 0.00 C ATOM 1532 C VAL A 101 4.106 22.207 -15.059 1.00 0.00 C ATOM 1533 O VAL A 101 4.848 21.547 -15.760 1.00 0.00 O ATOM 1534 CB VAL A 101 5.404 23.079 -13.084 1.00 0.00 C ATOM 1535 CG1 VAL A 101 5.494 23.065 -11.556 1.00 0.00 C ATOM 1536 CG2 VAL A 101 6.712 22.546 -13.676 1.00 0.00 C ATOM 0 H VAL A 101 5.267 20.323 -13.624 1.00 0.00 H new ATOM 0 HA VAL A 101 3.287 22.543 -13.131 1.00 0.00 H new ATOM 0 HB VAL A 101 5.239 24.099 -13.431 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.324 23.695 -11.235 1.00 0.00 H new ATOM 0 HG12 VAL A 101 4.564 23.446 -11.133 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.658 22.044 -11.211 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.541 23.177 -13.355 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.878 21.526 -13.331 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.649 22.555 -14.764 1.00 0.00 H new ATOM 1546 N ILE A 102 3.167 22.953 -15.575 1.00 0.00 N ATOM 1547 CA ILE A 102 2.984 23.009 -17.058 1.00 0.00 C ATOM 1548 C ILE A 102 3.473 24.354 -17.603 1.00 0.00 C ATOM 1549 O ILE A 102 3.216 25.397 -17.033 1.00 0.00 O ATOM 1550 CB ILE A 102 1.475 22.845 -17.288 1.00 0.00 C ATOM 1551 CG1 ILE A 102 0.725 24.056 -16.725 1.00 0.00 C ATOM 1552 CG2 ILE A 102 0.983 21.574 -16.592 1.00 0.00 C ATOM 1553 CD1 ILE A 102 0.497 25.075 -17.843 1.00 0.00 C ATOM 0 H ILE A 102 2.518 23.526 -15.036 1.00 0.00 H new ATOM 0 HA ILE A 102 3.555 22.235 -17.571 1.00 0.00 H new ATOM 0 HB ILE A 102 1.286 22.771 -18.359 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -0.230 23.743 -16.303 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.298 24.509 -15.916 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.088 21.460 -16.757 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.507 20.710 -17.000 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.180 21.646 -15.522 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -0.037 25.938 -17.445 1.00 0.00 H new ATOM 0 HD12 ILE A 102 1.458 25.396 -18.244 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -0.093 24.618 -18.637 1.00 0.00 H new