USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 404 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 Single : A 65 TYR OH : rot 158:sc= 0.247 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot -83:sc= -0.757! USER MOD Single : A 77 SER OG : rot -46:sc= 0.721 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -1.38 K(o=-1.4,f=-5.7!) USER MOD Single : A 83 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -71:sc= 1.2 USER MOD Single : A 91 ASN : amide:sc= -2.88! C(o=-2.9!,f=-7!) USER MOD Single : A 92 LYS NZ :NH3+ -129:sc= 0.0179 (180deg=0) USER MOD Single : A 93 HIS : no HE2:sc= -2.39 K(o=-2.4,f=-4.9!) USER MOD Single : A 95 TYR OH : rot 123:sc= 0.219 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 144:sc= -0.185 (180deg=-1) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= 0.299 K(o=0.3,f=-3.5!) USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 385 N LEU A 63 16.482 27.479 20.859 1.00 15.00 N ATOM 386 CA LEU A 63 15.883 26.411 21.657 1.00 15.00 C ATOM 387 C LEU A 63 14.360 26.472 21.599 1.00 15.00 C ATOM 388 O LEU A 63 13.763 27.530 21.790 1.00 15.00 O ATOM 389 CB LEU A 63 16.342 26.535 23.111 1.00 15.00 C ATOM 390 CG LEU A 63 15.851 25.328 23.913 1.00 15.00 C ATOM 391 CD1 LEU A 63 16.626 24.080 23.485 1.00 15.00 C ATOM 392 CD2 LEU A 63 16.081 25.581 25.405 1.00 15.00 C ATOM 0 HA LEU A 63 16.207 25.455 21.246 1.00 15.00 H new ATOM 0 HB2 LEU A 63 17.429 26.595 23.155 1.00 15.00 H new ATOM 0 HB3 LEU A 63 15.954 27.456 23.547 1.00 15.00 H new ATOM 0 HG LEU A 63 14.788 25.177 23.727 1.00 15.00 H new ATOM 0 HD11 LEU A 63 16.276 23.220 24.057 1.00 15.00 H new ATOM 0 HD12 LEU A 63 16.466 23.899 22.422 1.00 15.00 H new ATOM 0 HD13 LEU A 63 17.689 24.231 23.671 1.00 15.00 H new ATOM 0 HD21 LEU A 63 15.732 24.722 25.978 1.00 15.00 H new ATOM 0 HD22 LEU A 63 17.145 25.731 25.589 1.00 15.00 H new ATOM 0 HD23 LEU A 63 15.530 26.470 25.712 1.00 15.00 H new ATOM 404 N PHE A 64 13.740 25.334 21.305 1.00 15.00 N ATOM 405 CA PHE A 64 12.284 25.243 21.302 1.00 15.00 C ATOM 406 C PHE A 64 11.778 24.692 22.632 1.00 15.00 C ATOM 407 O PHE A 64 12.277 23.676 23.118 1.00 15.00 O ATOM 408 CB PHE A 64 11.819 24.330 20.166 1.00 15.00 C ATOM 409 CG PHE A 64 12.161 24.854 18.791 1.00 15.00 C ATOM 410 CD1 PHE A 64 11.299 25.751 18.150 1.00 15.00 C ATOM 411 CD2 PHE A 64 13.337 24.438 18.158 1.00 15.00 C ATOM 412 CE1 PHE A 64 11.615 26.235 16.875 1.00 15.00 C ATOM 413 CE2 PHE A 64 13.653 24.922 16.882 1.00 15.00 C ATOM 414 CZ PHE A 64 12.792 25.819 16.241 1.00 15.00 C ATOM 0 H PHE A 64 14.220 24.466 21.067 1.00 15.00 H new ATOM 0 HA PHE A 64 11.879 26.244 21.155 1.00 15.00 H new ATOM 0 HB2 PHE A 64 12.271 23.346 20.294 1.00 15.00 H new ATOM 0 HB3 PHE A 64 10.740 24.197 20.237 1.00 15.00 H new ATOM 0 HD1 PHE A 64 10.390 26.070 18.639 1.00 15.00 H new ATOM 0 HD2 PHE A 64 14.001 23.744 18.653 1.00 15.00 H new ATOM 0 HE1 PHE A 64 10.951 26.929 16.381 1.00 15.00 H new ATOM 0 HE2 PHE A 64 14.561 24.603 16.393 1.00 15.00 H new ATOM 0 HZ PHE A 64 13.035 26.191 15.257 1.00 15.00 H new ATOM 424 N TYR A 65 10.789 25.360 23.223 1.00 15.00 N ATOM 425 CA TYR A 65 10.168 24.871 24.452 1.00 15.00 C ATOM 426 C TYR A 65 8.677 24.651 24.220 1.00 15.00 C ATOM 427 O TYR A 65 8.032 25.428 23.518 1.00 15.00 O ATOM 428 CB TYR A 65 10.367 25.878 25.585 1.00 15.00 C ATOM 429 CG TYR A 65 9.984 25.331 26.941 1.00 15.00 C ATOM 430 CD1 TYR A 65 10.921 24.611 27.690 1.00 15.00 C ATOM 431 CD2 TYR A 65 8.695 25.540 27.446 1.00 15.00 C ATOM 432 CE1 TYR A 65 10.571 24.100 28.944 1.00 15.00 C ATOM 433 CE2 TYR A 65 8.344 25.026 28.701 1.00 15.00 C ATOM 434 CZ TYR A 65 9.283 24.306 29.451 1.00 15.00 C ATOM 435 OH TYR A 65 8.941 23.795 30.687 1.00 15.00 O ATOM 0 H TYR A 65 10.402 26.237 22.873 1.00 15.00 H new ATOM 0 HA TYR A 65 10.637 23.928 24.732 1.00 15.00 H new ATOM 0 HB2 TYR A 65 11.412 26.188 25.607 1.00 15.00 H new ATOM 0 HB3 TYR A 65 9.774 26.769 25.379 1.00 15.00 H new ATOM 0 HD1 TYR A 65 11.915 24.450 27.300 1.00 15.00 H new ATOM 0 HD2 TYR A 65 7.972 26.097 26.869 1.00 15.00 H new ATOM 0 HE1 TYR A 65 11.296 23.546 29.522 1.00 15.00 H new ATOM 0 HE2 TYR A 65 7.349 25.185 29.090 1.00 15.00 H new ATOM 0 HH TYR A 65 8.176 24.292 31.046 1.00 15.00 H new ATOM 445 N THR A 66 8.130 23.590 24.806 1.00 15.00 N ATOM 446 CA THR A 66 6.723 23.255 24.603 1.00 15.00 C ATOM 447 C THR A 66 5.888 23.633 25.823 1.00 15.00 C ATOM 448 O THR A 66 6.329 23.485 26.963 1.00 15.00 O ATOM 449 CB THR A 66 6.578 21.755 24.333 1.00 15.00 C ATOM 450 OG1 THR A 66 7.441 21.383 23.267 1.00 15.00 O ATOM 451 CG2 THR A 66 5.131 21.439 23.954 1.00 15.00 C ATOM 0 H THR A 66 8.634 22.951 25.421 1.00 15.00 H new ATOM 0 HA THR A 66 6.361 23.821 23.745 1.00 15.00 H new ATOM 0 HB THR A 66 6.845 21.197 25.230 1.00 15.00 H new ATOM 0 HG1 THR A 66 7.351 20.423 23.093 1.00 15.00 H new ATOM 0 HG21 THR A 66 5.030 20.371 23.762 1.00 15.00 H new ATOM 0 HG22 THR A 66 4.470 21.725 24.772 1.00 15.00 H new ATOM 0 HG23 THR A 66 4.860 21.996 23.057 1.00 15.00 H new ATOM 459 N LEU A 67 4.678 24.121 25.569 1.00 15.00 N ATOM 460 CA LEU A 67 3.766 24.502 26.641 1.00 15.00 C ATOM 461 C LEU A 67 2.981 23.294 27.141 1.00 15.00 C ATOM 462 O LEU A 67 2.368 22.574 26.355 1.00 15.00 O ATOM 463 CB LEU A 67 2.789 25.563 26.125 1.00 15.00 C ATOM 464 CG LEU A 67 3.539 26.865 25.832 1.00 15.00 C ATOM 465 CD1 LEU A 67 2.602 27.838 25.113 1.00 15.00 C ATOM 466 CD2 LEU A 67 4.006 27.492 27.148 1.00 15.00 C ATOM 0 H LEU A 67 4.306 24.262 24.630 1.00 15.00 H new ATOM 0 HA LEU A 67 4.352 24.903 27.468 1.00 15.00 H new ATOM 0 HB2 LEU A 67 2.296 25.206 25.221 1.00 15.00 H new ATOM 0 HB3 LEU A 67 2.009 25.741 26.865 1.00 15.00 H new ATOM 0 HG LEU A 67 4.403 26.654 25.202 1.00 15.00 H new ATOM 0 HD11 LEU A 67 3.133 28.766 24.903 1.00 15.00 H new ATOM 0 HD12 LEU A 67 2.264 27.393 24.177 1.00 15.00 H new ATOM 0 HD13 LEU A 67 1.740 28.048 25.746 1.00 15.00 H new ATOM 0 HD21 LEU A 67 4.540 28.419 26.940 1.00 15.00 H new ATOM 0 HD22 LEU A 67 3.141 27.705 27.777 1.00 15.00 H new ATOM 0 HD23 LEU A 67 4.670 26.799 27.666 1.00 15.00 H new ATOM 478 N LYS A 68 2.976 23.108 28.459 1.00 15.00 N ATOM 479 CA LYS A 68 2.268 21.987 29.072 1.00 15.00 C ATOM 480 C LYS A 68 1.336 22.492 30.170 1.00 15.00 C ATOM 481 O LYS A 68 1.669 23.422 30.906 1.00 15.00 O ATOM 482 CB LYS A 68 3.284 21.005 29.662 1.00 15.00 C ATOM 483 CG LYS A 68 2.577 19.744 30.170 1.00 15.00 C ATOM 484 CD LYS A 68 2.155 18.872 28.986 1.00 15.00 C ATOM 485 CE LYS A 68 1.535 17.573 29.505 1.00 15.00 C ATOM 486 NZ LYS A 68 0.957 16.808 28.364 1.00 15.00 N ATOM 0 H LYS A 68 3.454 23.718 29.122 1.00 15.00 H new ATOM 0 HA LYS A 68 1.672 21.480 28.313 1.00 15.00 H new ATOM 0 HB2 LYS A 68 4.021 20.736 28.905 1.00 15.00 H new ATOM 0 HB3 LYS A 68 3.826 21.480 30.480 1.00 15.00 H new ATOM 0 HG2 LYS A 68 3.242 19.183 30.827 1.00 15.00 H new ATOM 0 HG3 LYS A 68 1.703 20.019 30.760 1.00 15.00 H new ATOM 0 HD2 LYS A 68 1.437 19.407 28.364 1.00 15.00 H new ATOM 0 HD3 LYS A 68 3.018 18.650 28.358 1.00 15.00 H new ATOM 0 HE2 LYS A 68 2.291 16.974 30.013 1.00 15.00 H new ATOM 0 HE3 LYS A 68 0.759 17.795 30.238 1.00 15.00 H new ATOM 0 HZ1 LYS A 68 0.535 15.925 28.716 1.00 15.00 H new ATOM 0 HZ2 LYS A 68 0.224 17.380 27.898 1.00 15.00 H new ATOM 0 HZ3 LYS A 68 1.708 16.584 27.680 1.00 15.00 H new ATOM 500 N THR A 69 0.171 21.863 30.296 1.00 15.00 N ATOM 501 CA THR A 69 -0.823 22.289 31.281 1.00 15.00 C ATOM 502 C THR A 69 -0.214 22.398 32.678 1.00 15.00 C ATOM 503 O THR A 69 0.528 21.520 33.115 1.00 15.00 O ATOM 504 CB THR A 69 -1.987 21.294 31.309 1.00 15.00 C ATOM 505 OG1 THR A 69 -2.929 21.700 32.292 1.00 15.00 O ATOM 506 CG2 THR A 69 -1.464 19.898 31.646 1.00 15.00 C ATOM 0 H THR A 69 -0.109 21.060 29.732 1.00 15.00 H new ATOM 0 HA THR A 69 -1.184 23.275 30.987 1.00 15.00 H new ATOM 0 HB THR A 69 -2.467 21.270 30.331 1.00 15.00 H new ATOM 0 HG1 THR A 69 -3.676 21.066 32.311 1.00 15.00 H new ATOM 0 HG21 THR A 69 -2.295 19.193 31.665 1.00 15.00 H new ATOM 0 HG22 THR A 69 -0.742 19.588 30.891 1.00 15.00 H new ATOM 0 HG23 THR A 69 -0.981 19.916 32.623 1.00 15.00 H new ATOM 514 N GLY A 70 -0.539 23.487 33.371 1.00 15.00 N ATOM 515 CA GLY A 70 -0.019 23.720 34.716 1.00 15.00 C ATOM 516 C GLY A 70 0.999 24.862 34.748 1.00 15.00 C ATOM 517 O GLY A 70 1.144 25.534 35.770 1.00 15.00 O ATOM 0 H GLY A 70 -1.158 24.220 33.025 1.00 15.00 H new ATOM 0 HA2 GLY A 70 -0.845 23.952 35.389 1.00 15.00 H new ATOM 0 HA3 GLY A 70 0.448 22.808 35.087 1.00 15.00 H new ATOM 521 N GLU A 71 1.705 25.087 33.641 1.00 15.00 N ATOM 522 CA GLU A 71 2.699 26.156 33.575 1.00 15.00 C ATOM 523 C GLU A 71 2.233 27.254 32.623 1.00 15.00 C ATOM 524 O GLU A 71 1.577 26.977 31.618 1.00 15.00 O ATOM 525 CB GLU A 71 4.037 25.596 33.092 1.00 15.00 C ATOM 526 CG GLU A 71 5.126 26.661 33.263 1.00 15.00 C ATOM 527 CD GLU A 71 6.477 26.191 32.715 1.00 15.00 C ATOM 528 OE1 GLU A 71 6.552 25.112 32.145 1.00 15.00 O ATOM 529 OE2 GLU A 71 7.435 26.927 32.885 1.00 15.00 O ATOM 0 H GLU A 71 1.608 24.546 32.782 1.00 15.00 H new ATOM 0 HA GLU A 71 2.822 26.578 34.572 1.00 15.00 H new ATOM 0 HB2 GLU A 71 4.295 24.702 33.659 1.00 15.00 H new ATOM 0 HB3 GLU A 71 3.963 25.300 32.046 1.00 15.00 H new ATOM 0 HG2 GLU A 71 4.824 27.574 32.750 1.00 15.00 H new ATOM 0 HG3 GLU A 71 5.229 26.908 34.320 1.00 15.00 H new ATOM 536 N THR A 72 2.575 28.500 32.942 1.00 15.00 N ATOM 537 CA THR A 72 2.155 29.639 32.126 1.00 15.00 C ATOM 538 C THR A 72 3.356 30.316 31.470 1.00 15.00 C ATOM 539 O THR A 72 4.494 30.173 31.917 1.00 15.00 O ATOM 540 CB THR A 72 1.412 30.659 32.994 1.00 15.00 C ATOM 541 OG1 THR A 72 2.296 31.171 33.979 1.00 15.00 O ATOM 542 CG2 THR A 72 0.214 29.992 33.673 1.00 15.00 C ATOM 0 H THR A 72 3.139 28.747 33.755 1.00 15.00 H new ATOM 0 HA THR A 72 1.493 29.267 31.344 1.00 15.00 H new ATOM 0 HB THR A 72 1.054 31.475 32.365 1.00 15.00 H new ATOM 0 HG1 THR A 72 2.335 30.551 34.737 1.00 15.00 H new ATOM 0 HG21 THR A 72 -0.309 30.724 34.289 1.00 15.00 H new ATOM 0 HG22 THR A 72 -0.465 29.604 32.914 1.00 15.00 H new ATOM 0 HG23 THR A 72 0.562 29.172 34.301 1.00 15.00 H new ATOM 550 N VAL A 73 3.089 31.078 30.413 1.00 15.00 N ATOM 551 CA VAL A 73 4.153 31.782 29.705 1.00 15.00 C ATOM 552 C VAL A 73 4.897 32.710 30.665 1.00 15.00 C ATOM 553 O VAL A 73 6.126 32.783 30.646 1.00 15.00 O ATOM 554 CB VAL A 73 3.561 32.589 28.542 1.00 15.00 C ATOM 555 CG1 VAL A 73 4.675 33.292 27.760 1.00 15.00 C ATOM 556 CG2 VAL A 73 2.805 31.650 27.598 1.00 15.00 C ATOM 0 H VAL A 73 2.154 31.223 30.031 1.00 15.00 H new ATOM 0 HA VAL A 73 4.858 31.052 29.306 1.00 15.00 H new ATOM 0 HB VAL A 73 2.880 33.337 28.948 1.00 15.00 H new ATOM 0 HG11 VAL A 73 4.240 33.860 26.938 1.00 15.00 H new ATOM 0 HG12 VAL A 73 5.214 33.968 28.423 1.00 15.00 H new ATOM 0 HG13 VAL A 73 5.365 32.548 27.361 1.00 15.00 H new ATOM 0 HG21 VAL A 73 2.385 32.225 26.772 1.00 15.00 H new ATOM 0 HG22 VAL A 73 3.491 30.899 27.206 1.00 15.00 H new ATOM 0 HG23 VAL A 73 2.000 31.157 28.143 1.00 15.00 H new ATOM 566 N ALA A 74 4.149 33.399 31.521 1.00 15.00 N ATOM 567 CA ALA A 74 4.759 34.309 32.484 1.00 15.00 C ATOM 568 C ALA A 74 5.735 33.559 33.390 1.00 15.00 C ATOM 569 O ALA A 74 6.805 34.071 33.714 1.00 15.00 O ATOM 570 CB ALA A 74 3.675 34.981 33.331 1.00 15.00 C ATOM 0 H ALA A 74 3.131 33.346 31.568 1.00 15.00 H new ATOM 0 HA ALA A 74 5.310 35.073 31.935 1.00 15.00 H new ATOM 0 HB1 ALA A 74 4.140 35.658 34.047 1.00 15.00 H new ATOM 0 HB2 ALA A 74 3.003 35.544 32.683 1.00 15.00 H new ATOM 0 HB3 ALA A 74 3.108 34.220 33.867 1.00 15.00 H new ATOM 576 N ASP A 75 5.377 32.337 33.777 1.00 15.00 N ATOM 577 CA ASP A 75 6.237 31.547 34.651 1.00 15.00 C ATOM 578 C ASP A 75 7.591 31.311 33.990 1.00 15.00 C ATOM 579 O ASP A 75 8.638 31.482 34.614 1.00 15.00 O ATOM 580 CB ASP A 75 5.575 30.201 34.961 1.00 15.00 C ATOM 581 CG ASP A 75 4.282 30.407 35.748 1.00 15.00 C ATOM 582 OD1 ASP A 75 4.202 31.370 36.492 1.00 15.00 O ATOM 583 OD2 ASP A 75 3.386 29.593 35.593 1.00 15.00 O ATOM 0 H ASP A 75 4.508 31.878 33.503 1.00 15.00 H new ATOM 0 HA ASP A 75 6.387 32.097 35.580 1.00 15.00 H new ATOM 0 HB2 ASP A 75 5.362 29.672 34.032 1.00 15.00 H new ATOM 0 HB3 ASP A 75 6.260 29.576 35.534 1.00 15.00 H new ATOM 588 N LEU A 76 7.563 30.948 32.712 1.00 15.00 N ATOM 589 CA LEU A 76 8.799 30.714 31.973 1.00 15.00 C ATOM 590 C LEU A 76 9.667 31.967 31.970 1.00 15.00 C ATOM 591 O LEU A 76 10.874 31.905 32.200 1.00 15.00 O ATOM 592 CB LEU A 76 8.482 30.316 30.530 1.00 15.00 C ATOM 593 CG LEU A 76 7.865 28.917 30.501 1.00 15.00 C ATOM 594 CD1 LEU A 76 7.199 28.681 29.145 1.00 15.00 C ATOM 595 CD2 LEU A 76 8.967 27.876 30.709 1.00 15.00 C ATOM 0 H LEU A 76 6.709 30.811 32.171 1.00 15.00 H new ATOM 0 HA LEU A 76 9.342 29.906 32.464 1.00 15.00 H new ATOM 0 HB2 LEU A 76 7.794 31.036 30.088 1.00 15.00 H new ATOM 0 HB3 LEU A 76 9.392 30.335 29.930 1.00 15.00 H new ATOM 0 HG LEU A 76 7.121 28.830 31.293 1.00 15.00 H new ATOM 0 HD11 LEU A 76 6.759 27.684 29.124 1.00 15.00 H new ATOM 0 HD12 LEU A 76 6.418 29.425 28.989 1.00 15.00 H new ATOM 0 HD13 LEU A 76 7.944 28.765 28.354 1.00 15.00 H new ATOM 0 HD21 LEU A 76 8.532 26.877 30.689 1.00 15.00 H new ATOM 0 HD22 LEU A 76 9.707 27.966 29.914 1.00 15.00 H new ATOM 0 HD23 LEU A 76 9.448 28.043 31.673 1.00 15.00 H new ATOM 607 N SER A 77 9.035 33.110 31.736 1.00 15.00 N ATOM 608 CA SER A 77 9.761 34.371 31.653 1.00 15.00 C ATOM 609 C SER A 77 10.499 34.664 32.954 1.00 15.00 C ATOM 610 O SER A 77 11.649 35.100 32.936 1.00 15.00 O ATOM 611 CB SER A 77 8.783 35.507 31.351 1.00 15.00 C ATOM 612 OG SER A 77 9.513 36.669 30.985 1.00 15.00 O ATOM 0 H SER A 77 8.027 33.190 31.601 1.00 15.00 H new ATOM 0 HA SER A 77 10.496 34.292 30.852 1.00 15.00 H new ATOM 0 HB2 SER A 77 8.109 35.218 30.545 1.00 15.00 H new ATOM 0 HB3 SER A 77 8.165 35.712 32.225 1.00 15.00 H new ATOM 0 HG SER A 77 10.256 36.799 31.611 1.00 15.00 H new ATOM 618 N LYS A 78 9.832 34.429 34.077 1.00 15.00 N ATOM 619 CA LYS A 78 10.426 34.707 35.380 1.00 15.00 C ATOM 620 C LYS A 78 11.663 33.843 35.617 1.00 15.00 C ATOM 621 O LYS A 78 12.700 34.337 36.061 1.00 15.00 O ATOM 622 CB LYS A 78 9.400 34.445 36.484 1.00 15.00 C ATOM 623 CG LYS A 78 9.970 34.886 37.834 1.00 15.00 C ATOM 624 CD LYS A 78 8.976 34.547 38.946 1.00 15.00 C ATOM 625 CE LYS A 78 9.473 35.125 40.273 1.00 15.00 C ATOM 626 NZ LYS A 78 9.089 36.561 40.364 1.00 15.00 N ATOM 0 H LYS A 78 8.886 34.049 34.113 1.00 15.00 H new ATOM 0 HA LYS A 78 10.729 35.754 35.398 1.00 15.00 H new ATOM 0 HB2 LYS A 78 8.478 34.987 36.273 1.00 15.00 H new ATOM 0 HB3 LYS A 78 9.147 33.385 36.514 1.00 15.00 H new ATOM 0 HG2 LYS A 78 10.922 34.388 38.019 1.00 15.00 H new ATOM 0 HG3 LYS A 78 10.168 35.958 37.824 1.00 15.00 H new ATOM 0 HD2 LYS A 78 7.994 34.954 38.706 1.00 15.00 H new ATOM 0 HD3 LYS A 78 8.862 33.466 39.029 1.00 15.00 H new ATOM 0 HE2 LYS A 78 9.044 34.569 41.107 1.00 15.00 H new ATOM 0 HE3 LYS A 78 10.556 35.022 40.344 1.00 15.00 H new ATOM 0 HZ1 LYS A 78 9.427 36.954 41.266 1.00 15.00 H new ATOM 0 HZ2 LYS A 78 9.518 37.086 39.575 1.00 15.00 H new ATOM 0 HZ3 LYS A 78 8.054 36.647 40.315 1.00 15.00 H new ATOM 640 N SER A 79 11.547 32.554 35.318 1.00 15.00 N ATOM 641 CA SER A 79 12.641 31.620 35.565 1.00 15.00 C ATOM 642 C SER A 79 13.883 31.999 34.763 1.00 15.00 C ATOM 643 O SER A 79 15.000 31.963 35.278 1.00 15.00 O ATOM 644 CB SER A 79 12.207 30.203 35.192 1.00 15.00 C ATOM 645 OG SER A 79 13.209 29.284 35.609 1.00 15.00 O ATOM 0 H SER A 79 10.713 32.134 34.907 1.00 15.00 H new ATOM 0 HA SER A 79 12.889 31.664 36.625 1.00 15.00 H new ATOM 0 HB2 SER A 79 11.256 29.964 35.668 1.00 15.00 H new ATOM 0 HB3 SER A 79 12.053 30.128 34.116 1.00 15.00 H new ATOM 0 HG SER A 79 12.935 28.373 35.374 1.00 15.00 H new ATOM 651 N GLN A 80 13.680 32.360 33.502 1.00 15.00 N ATOM 652 CA GLN A 80 14.801 32.706 32.625 1.00 15.00 C ATOM 653 C GLN A 80 15.292 34.149 32.800 1.00 15.00 C ATOM 654 O GLN A 80 16.226 34.563 32.111 1.00 15.00 O ATOM 655 CB GLN A 80 14.392 32.487 31.168 1.00 15.00 C ATOM 656 CG GLN A 80 14.104 31.001 30.938 1.00 15.00 C ATOM 657 CD GLN A 80 13.611 30.761 29.512 1.00 15.00 C ATOM 658 OE1 GLN A 80 13.179 31.692 28.831 1.00 15.00 O ATOM 659 NE2 GLN A 80 13.652 29.554 29.018 1.00 15.00 N ATOM 0 H GLN A 80 12.761 32.422 33.063 1.00 15.00 H new ATOM 0 HA GLN A 80 15.629 32.054 32.904 1.00 15.00 H new ATOM 0 HB2 GLN A 80 13.508 33.080 30.934 1.00 15.00 H new ATOM 0 HB3 GLN A 80 15.187 32.822 30.501 1.00 15.00 H new ATOM 0 HG2 GLN A 80 15.007 30.418 31.119 1.00 15.00 H new ATOM 0 HG3 GLN A 80 13.354 30.656 31.650 1.00 15.00 H new ATOM 0 HE21 GLN A 80 14.010 28.784 29.583 1.00 15.00 H new ATOM 0 HE22 GLN A 80 13.326 29.381 28.067 1.00 15.00 H new ATOM 668 N ASP A 81 14.686 34.915 33.707 1.00 15.00 N ATOM 669 CA ASP A 81 15.099 36.297 33.929 1.00 15.00 C ATOM 670 C ASP A 81 14.985 37.106 32.636 1.00 15.00 C ATOM 671 O ASP A 81 15.853 37.916 32.309 1.00 15.00 O ATOM 672 CB ASP A 81 16.542 36.330 34.446 1.00 15.00 C ATOM 673 CG ASP A 81 16.918 37.740 34.894 1.00 15.00 C ATOM 674 OD1 ASP A 81 16.041 38.461 35.343 1.00 15.00 O ATOM 675 OD2 ASP A 81 18.085 38.081 34.779 1.00 15.00 O ATOM 0 H ASP A 81 13.913 34.603 34.295 1.00 15.00 H new ATOM 0 HA ASP A 81 14.441 36.744 34.674 1.00 15.00 H new ATOM 0 HB2 ASP A 81 16.652 35.636 35.279 1.00 15.00 H new ATOM 0 HB3 ASP A 81 17.223 35.997 33.662 1.00 15.00 H new ATOM 680 N ILE A 82 13.896 36.882 31.907 1.00 15.00 N ATOM 681 CA ILE A 82 13.642 37.595 30.658 1.00 15.00 C ATOM 682 C ILE A 82 12.392 38.458 30.806 1.00 15.00 C ATOM 683 O ILE A 82 11.476 38.111 31.551 1.00 15.00 O ATOM 684 CB ILE A 82 13.455 36.599 29.506 1.00 15.00 C ATOM 685 CG1 ILE A 82 14.691 35.701 29.397 1.00 15.00 C ATOM 686 CG2 ILE A 82 13.272 37.356 28.188 1.00 15.00 C ATOM 687 CD1 ILE A 82 14.436 34.599 28.367 1.00 15.00 C ATOM 0 H ILE A 82 13.172 36.210 32.160 1.00 15.00 H new ATOM 0 HA ILE A 82 14.497 38.233 30.434 1.00 15.00 H new ATOM 0 HB ILE A 82 12.572 35.991 29.704 1.00 15.00 H new ATOM 0 HG12 ILE A 82 15.558 36.293 29.104 1.00 15.00 H new ATOM 0 HG13 ILE A 82 14.919 35.260 30.367 1.00 15.00 H new ATOM 0 HG21 ILE A 82 13.140 36.643 27.374 1.00 15.00 H new ATOM 0 HG22 ILE A 82 12.393 37.997 28.255 1.00 15.00 H new ATOM 0 HG23 ILE A 82 14.153 37.968 27.995 1.00 15.00 H new ATOM 0 HD11 ILE A 82 15.317 33.961 28.291 1.00 15.00 H new ATOM 0 HD12 ILE A 82 13.580 34.000 28.679 1.00 15.00 H new ATOM 0 HD13 ILE A 82 14.229 35.049 27.396 1.00 15.00 H new ATOM 699 N ASN A 83 12.366 39.587 30.107 1.00 15.00 N ATOM 700 CA ASN A 83 11.219 40.485 30.175 1.00 15.00 C ATOM 701 C ASN A 83 10.139 40.051 29.187 1.00 15.00 C ATOM 702 O ASN A 83 10.434 39.663 28.056 1.00 15.00 O ATOM 703 CB ASN A 83 11.656 41.918 29.860 1.00 15.00 C ATOM 704 CG ASN A 83 12.627 42.422 30.925 1.00 15.00 C ATOM 705 OD1 ASN A 83 12.649 41.911 32.046 1.00 15.00 O ATOM 706 ND2 ASN A 83 13.436 43.404 30.640 1.00 15.00 N ATOM 0 H ASN A 83 13.118 39.900 29.493 1.00 15.00 H new ATOM 0 HA ASN A 83 10.810 40.445 31.184 1.00 15.00 H new ATOM 0 HB2 ASN A 83 12.131 41.953 28.879 1.00 15.00 H new ATOM 0 HB3 ASN A 83 10.784 42.570 29.816 1.00 15.00 H new ATOM 0 HD21 ASN A 83 14.087 43.749 31.345 1.00 15.00 H new ATOM 0 HD22 ASN A 83 13.418 43.827 29.712 1.00 15.00 H new ATOM 713 N LEU A 84 8.883 40.130 29.616 1.00 15.00 N ATOM 714 CA LEU A 84 7.772 39.729 28.759 1.00 15.00 C ATOM 715 C LEU A 84 7.792 40.504 27.442 1.00 15.00 C ATOM 716 O LEU A 84 7.499 39.946 26.384 1.00 15.00 O ATOM 717 CB LEU A 84 6.439 39.967 29.475 1.00 15.00 C ATOM 718 CG LEU A 84 6.397 39.176 30.786 1.00 15.00 C ATOM 719 CD1 LEU A 84 5.102 39.502 31.535 1.00 15.00 C ATOM 720 CD2 LEU A 84 6.439 37.675 30.488 1.00 15.00 C ATOM 0 H LEU A 84 8.611 40.464 30.541 1.00 15.00 H new ATOM 0 HA LEU A 84 7.881 38.667 28.540 1.00 15.00 H new ATOM 0 HB2 LEU A 84 6.311 41.030 29.679 1.00 15.00 H new ATOM 0 HB3 LEU A 84 5.613 39.664 28.832 1.00 15.00 H new ATOM 0 HG LEU A 84 7.257 39.449 31.397 1.00 15.00 H new ATOM 0 HD11 LEU A 84 5.070 38.940 32.468 1.00 15.00 H new ATOM 0 HD12 LEU A 84 5.066 40.569 31.753 1.00 15.00 H new ATOM 0 HD13 LEU A 84 4.246 39.229 30.918 1.00 15.00 H new ATOM 0 HD21 LEU A 84 6.409 37.117 31.424 1.00 15.00 H new ATOM 0 HD22 LEU A 84 5.580 37.402 29.875 1.00 15.00 H new ATOM 0 HD23 LEU A 84 7.358 37.436 29.953 1.00 15.00 H new ATOM 732 N SER A 85 8.161 41.780 27.502 1.00 15.00 N ATOM 733 CA SER A 85 8.218 42.602 26.298 1.00 15.00 C ATOM 734 C SER A 85 9.188 41.995 25.289 1.00 15.00 C ATOM 735 O SER A 85 8.890 41.912 24.098 1.00 15.00 O ATOM 736 CB SER A 85 8.668 44.019 26.653 1.00 15.00 C ATOM 737 OG SER A 85 8.537 44.851 25.508 1.00 15.00 O ATOM 0 H SER A 85 8.422 42.263 28.361 1.00 15.00 H new ATOM 0 HA SER A 85 7.223 42.640 25.856 1.00 15.00 H new ATOM 0 HB2 SER A 85 8.065 44.410 27.473 1.00 15.00 H new ATOM 0 HB3 SER A 85 9.703 44.010 26.994 1.00 15.00 H new ATOM 0 HG SER A 85 8.823 45.761 25.731 1.00 15.00 H new ATOM 743 N THR A 86 10.340 41.546 25.775 1.00 15.00 N ATOM 744 CA THR A 86 11.346 40.955 24.898 1.00 15.00 C ATOM 745 C THR A 86 10.795 39.709 24.211 1.00 15.00 C ATOM 746 O THR A 86 10.959 39.521 23.005 1.00 15.00 O ATOM 747 CB THR A 86 12.591 40.586 25.708 1.00 15.00 C ATOM 748 OG1 THR A 86 13.041 41.726 26.426 1.00 15.00 O ATOM 749 CG2 THR A 86 13.696 40.109 24.763 1.00 15.00 C ATOM 0 H THR A 86 10.600 41.579 26.761 1.00 15.00 H new ATOM 0 HA THR A 86 11.612 41.687 24.135 1.00 15.00 H new ATOM 0 HB THR A 86 12.345 39.787 26.408 1.00 15.00 H new ATOM 0 HG1 THR A 86 13.837 41.491 26.947 1.00 15.00 H new ATOM 0 HG21 THR A 86 14.582 39.847 25.342 1.00 15.00 H new ATOM 0 HG22 THR A 86 13.351 39.234 24.212 1.00 15.00 H new ATOM 0 HG23 THR A 86 13.944 40.906 24.061 1.00 15.00 H new ATOM 757 N ILE A 87 10.104 38.871 24.980 1.00 15.00 N ATOM 758 CA ILE A 87 9.555 37.632 24.439 1.00 15.00 C ATOM 759 C ILE A 87 8.619 37.941 23.272 1.00 15.00 C ATOM 760 O ILE A 87 8.678 37.298 22.226 1.00 15.00 O ATOM 761 CB ILE A 87 8.796 36.867 25.532 1.00 15.00 C ATOM 762 CG1 ILE A 87 9.737 36.587 26.709 1.00 15.00 C ATOM 763 CG2 ILE A 87 8.286 35.532 24.979 1.00 15.00 C ATOM 764 CD1 ILE A 87 8.943 35.984 27.869 1.00 15.00 C ATOM 0 H ILE A 87 9.913 39.025 25.970 1.00 15.00 H new ATOM 0 HA ILE A 87 10.376 37.011 24.081 1.00 15.00 H new ATOM 0 HB ILE A 87 7.952 37.472 25.864 1.00 15.00 H new ATOM 0 HG12 ILE A 87 10.527 35.902 26.401 1.00 15.00 H new ATOM 0 HG13 ILE A 87 10.222 37.510 27.028 1.00 15.00 H new ATOM 0 HG21 ILE A 87 7.749 34.996 25.761 1.00 15.00 H new ATOM 0 HG22 ILE A 87 7.615 35.718 24.140 1.00 15.00 H new ATOM 0 HG23 ILE A 87 9.131 34.931 24.642 1.00 15.00 H new ATOM 0 HD11 ILE A 87 9.614 35.786 28.705 1.00 15.00 H new ATOM 0 HD12 ILE A 87 8.169 36.684 28.183 1.00 15.00 H new ATOM 0 HD13 ILE A 87 8.479 35.052 27.547 1.00 15.00 H new ATOM 776 N TRP A 88 7.768 38.943 23.458 1.00 15.00 N ATOM 777 CA TRP A 88 6.830 39.335 22.411 1.00 15.00 C ATOM 778 C TRP A 88 7.564 39.751 21.139 1.00 15.00 C ATOM 779 O TRP A 88 7.238 39.288 20.046 1.00 15.00 O ATOM 780 CB TRP A 88 5.960 40.495 22.895 1.00 15.00 C ATOM 781 CG TRP A 88 4.923 40.908 21.899 1.00 15.00 C ATOM 782 CD1 TRP A 88 3.693 40.358 21.786 1.00 15.00 C ATOM 783 CD2 TRP A 88 5.006 41.940 20.874 1.00 15.00 C ATOM 784 NE1 TRP A 88 3.014 40.988 20.760 1.00 15.00 N ATOM 785 CE2 TRP A 88 3.780 41.970 20.166 1.00 15.00 C ATOM 786 CE3 TRP A 88 6.013 42.844 20.495 1.00 15.00 C ATOM 787 CZ2 TRP A 88 3.563 42.867 19.117 1.00 15.00 C ATOM 788 CZ3 TRP A 88 5.799 43.747 19.442 1.00 15.00 C ATOM 789 CH2 TRP A 88 4.578 43.759 18.754 1.00 15.00 C ATOM 0 H TRP A 88 7.707 39.494 24.314 1.00 15.00 H new ATOM 0 HA TRP A 88 6.203 38.473 22.184 1.00 15.00 H new ATOM 0 HB2 TRP A 88 5.468 40.209 23.825 1.00 15.00 H new ATOM 0 HB3 TRP A 88 6.598 41.349 23.122 1.00 15.00 H new ATOM 0 HD1 TRP A 88 3.304 39.557 22.398 1.00 15.00 H new ATOM 0 HE1 TRP A 88 2.062 40.755 20.476 1.00 15.00 H new ATOM 0 HE3 TRP A 88 6.958 42.844 21.018 1.00 15.00 H new ATOM 0 HZ2 TRP A 88 2.620 42.872 18.591 1.00 15.00 H new ATOM 0 HZ3 TRP A 88 6.580 44.437 19.160 1.00 15.00 H new ATOM 0 HH2 TRP A 88 4.421 44.456 17.944 1.00 15.00 H new ATOM 800 N SER A 89 8.582 40.594 21.284 1.00 15.00 N ATOM 801 CA SER A 89 9.292 41.120 20.121 1.00 15.00 C ATOM 802 C SER A 89 9.808 39.994 19.229 1.00 15.00 C ATOM 803 O SER A 89 9.759 40.094 18.003 1.00 15.00 O ATOM 804 CB SER A 89 10.467 41.986 20.578 1.00 15.00 C ATOM 805 OG SER A 89 11.454 41.156 21.176 1.00 15.00 O ATOM 0 H SER A 89 8.931 40.925 22.183 1.00 15.00 H new ATOM 0 HA SER A 89 8.590 41.722 19.543 1.00 15.00 H new ATOM 0 HB2 SER A 89 10.891 42.522 19.729 1.00 15.00 H new ATOM 0 HB3 SER A 89 10.126 42.737 21.291 1.00 15.00 H new ATOM 0 HG SER A 89 11.128 40.832 22.042 1.00 15.00 H new ATOM 811 N LEU A 90 10.301 38.924 19.845 1.00 15.00 N ATOM 812 CA LEU A 90 10.803 37.784 19.083 1.00 15.00 C ATOM 813 C LEU A 90 9.667 36.985 18.442 1.00 15.00 C ATOM 814 O LEU A 90 9.672 36.739 17.235 1.00 15.00 O ATOM 815 CB LEU A 90 11.605 36.863 20.006 1.00 15.00 C ATOM 816 CG LEU A 90 12.790 37.630 20.598 1.00 15.00 C ATOM 817 CD1 LEU A 90 13.482 36.765 21.652 1.00 15.00 C ATOM 818 CD2 LEU A 90 13.787 37.965 19.486 1.00 15.00 C ATOM 0 H LEU A 90 10.364 38.822 20.858 1.00 15.00 H new ATOM 0 HA LEU A 90 11.438 38.172 18.286 1.00 15.00 H new ATOM 0 HB2 LEU A 90 10.966 36.488 20.806 1.00 15.00 H new ATOM 0 HB3 LEU A 90 11.962 35.996 19.450 1.00 15.00 H new ATOM 0 HG LEU A 90 12.432 38.551 21.058 1.00 15.00 H new ATOM 0 HD11 LEU A 90 14.326 37.311 22.074 1.00 15.00 H new ATOM 0 HD12 LEU A 90 12.775 36.522 22.445 1.00 15.00 H new ATOM 0 HD13 LEU A 90 13.840 35.845 21.190 1.00 15.00 H new ATOM 0 HD21 LEU A 90 14.631 38.511 19.907 1.00 15.00 H new ATOM 0 HD22 LEU A 90 14.144 37.043 19.027 1.00 15.00 H new ATOM 0 HD23 LEU A 90 13.297 38.580 18.731 1.00 15.00 H new ATOM 830 N ASN A 91 8.678 36.605 19.246 1.00 15.00 N ATOM 831 CA ASN A 91 7.621 35.708 18.777 1.00 15.00 C ATOM 832 C ASN A 91 6.445 36.435 18.113 1.00 15.00 C ATOM 833 O ASN A 91 5.426 35.809 17.819 1.00 15.00 O ATOM 834 CB ASN A 91 7.102 34.875 19.949 1.00 15.00 C ATOM 835 CG ASN A 91 8.208 33.957 20.461 1.00 15.00 C ATOM 836 OD1 ASN A 91 8.104 32.734 20.356 1.00 15.00 O ATOM 837 ND2 ASN A 91 9.273 34.473 21.012 1.00 15.00 N ATOM 0 H ASN A 91 8.584 36.900 20.218 1.00 15.00 H new ATOM 0 HA ASN A 91 8.070 35.074 18.012 1.00 15.00 H new ATOM 0 HB2 ASN A 91 6.761 35.531 20.750 1.00 15.00 H new ATOM 0 HB3 ASN A 91 6.242 34.283 19.634 1.00 15.00 H new ATOM 0 HD21 ASN A 91 10.016 33.864 21.354 1.00 15.00 H new ATOM 0 HD22 ASN A 91 9.362 35.485 21.100 1.00 15.00 H new ATOM 844 N LYS A 92 6.564 37.742 17.876 1.00 15.00 N ATOM 845 CA LYS A 92 5.507 38.485 17.188 1.00 15.00 C ATOM 846 C LYS A 92 5.070 37.802 15.889 1.00 15.00 C ATOM 847 O LYS A 92 3.924 37.955 15.464 1.00 15.00 O ATOM 848 CB LYS A 92 5.976 39.913 16.881 1.00 15.00 C ATOM 849 CG LYS A 92 7.198 39.881 15.956 1.00 15.00 C ATOM 850 CD LYS A 92 7.551 41.303 15.510 1.00 15.00 C ATOM 851 CE LYS A 92 8.240 42.059 16.650 1.00 15.00 C ATOM 852 NZ LYS A 92 7.985 43.519 16.500 1.00 15.00 N ATOM 0 H LYS A 92 7.372 38.303 18.147 1.00 15.00 H new ATOM 0 HA LYS A 92 4.647 38.511 17.858 1.00 15.00 H new ATOM 0 HB2 LYS A 92 5.169 40.475 16.411 1.00 15.00 H new ATOM 0 HB3 LYS A 92 6.226 40.429 17.808 1.00 15.00 H new ATOM 0 HG2 LYS A 92 8.045 39.432 16.474 1.00 15.00 H new ATOM 0 HG3 LYS A 92 6.990 39.259 15.086 1.00 15.00 H new ATOM 0 HD2 LYS A 92 8.206 41.267 14.640 1.00 15.00 H new ATOM 0 HD3 LYS A 92 6.647 41.832 15.207 1.00 15.00 H new ATOM 0 HE2 LYS A 92 7.865 41.710 17.612 1.00 15.00 H new ATOM 0 HE3 LYS A 92 9.312 41.862 16.636 1.00 15.00 H new ATOM 0 HZ1 LYS A 92 8.886 44.036 16.549 1.00 15.00 H new ATOM 0 HZ2 LYS A 92 7.532 43.700 15.581 1.00 15.00 H new ATOM 0 HZ3 LYS A 92 7.358 43.842 17.264 1.00 15.00 H new ATOM 866 N HIS A 93 5.978 37.063 15.254 1.00 15.00 N ATOM 867 CA HIS A 93 5.650 36.380 14.008 1.00 15.00 C ATOM 868 C HIS A 93 4.792 35.139 14.263 1.00 15.00 C ATOM 869 O HIS A 93 3.901 34.822 13.475 1.00 15.00 O ATOM 870 CB HIS A 93 6.934 36.005 13.255 1.00 15.00 C ATOM 871 CG HIS A 93 7.726 34.879 13.869 1.00 15.00 C ATOM 872 ND1 HIS A 93 8.641 35.076 14.894 1.00 15.00 N ATOM 873 CD2 HIS A 93 7.769 33.535 13.586 1.00 15.00 C ATOM 874 CE1 HIS A 93 9.189 33.883 15.184 1.00 15.00 C ATOM 875 NE2 HIS A 93 8.694 32.909 14.417 1.00 15.00 N ATOM 0 H HIS A 93 6.935 36.924 15.578 1.00 15.00 H new ATOM 0 HA HIS A 93 5.067 37.063 13.390 1.00 15.00 H new ATOM 0 HB2 HIS A 93 6.671 35.730 12.234 1.00 15.00 H new ATOM 0 HB3 HIS A 93 7.572 36.887 13.193 1.00 15.00 H new ATOM 0 HD1 HIS A 93 8.858 35.965 15.345 1.00 15.00 H new ATOM 0 HD2 HIS A 93 7.175 33.039 12.833 1.00 15.00 H new ATOM 0 HE1 HIS A 93 9.939 33.731 15.946 1.00 15.00 H new ATOM 883 N LEU A 94 5.059 34.441 15.364 1.00 15.00 N ATOM 884 CA LEU A 94 4.309 33.231 15.690 1.00 15.00 C ATOM 885 C LEU A 94 2.861 33.554 16.050 1.00 15.00 C ATOM 886 O LEU A 94 1.941 32.841 15.648 1.00 15.00 O ATOM 887 CB LEU A 94 4.966 32.505 16.868 1.00 15.00 C ATOM 888 CG LEU A 94 6.417 32.158 16.525 1.00 15.00 C ATOM 889 CD1 LEU A 94 7.091 31.534 17.748 1.00 15.00 C ATOM 890 CD2 LEU A 94 6.449 31.156 15.368 1.00 15.00 C ATOM 0 H LEU A 94 5.782 34.689 16.040 1.00 15.00 H new ATOM 0 HA LEU A 94 4.316 32.592 14.807 1.00 15.00 H new ATOM 0 HB2 LEU A 94 4.934 33.135 17.757 1.00 15.00 H new ATOM 0 HB3 LEU A 94 4.411 31.596 17.101 1.00 15.00 H new ATOM 0 HG LEU A 94 6.945 33.066 16.234 1.00 15.00 H new ATOM 0 HD11 LEU A 94 8.125 31.286 17.507 1.00 15.00 H new ATOM 0 HD12 LEU A 94 7.072 32.243 18.575 1.00 15.00 H new ATOM 0 HD13 LEU A 94 6.558 30.628 18.035 1.00 15.00 H new ATOM 0 HD21 LEU A 94 7.484 30.912 15.127 1.00 15.00 H new ATOM 0 HD22 LEU A 94 5.920 30.248 15.658 1.00 15.00 H new ATOM 0 HD23 LEU A 94 5.966 31.594 14.494 1.00 15.00 H new ATOM 902 N TYR A 95 2.663 34.630 16.807 1.00 15.00 N ATOM 903 CA TYR A 95 1.324 35.010 17.257 1.00 15.00 C ATOM 904 C TYR A 95 0.880 36.319 16.615 1.00 15.00 C ATOM 905 O TYR A 95 1.697 37.198 16.340 1.00 15.00 O ATOM 906 CB TYR A 95 1.316 35.155 18.779 1.00 15.00 C ATOM 907 CG TYR A 95 1.715 33.889 19.501 1.00 15.00 C ATOM 908 CD1 TYR A 95 0.772 32.874 19.703 1.00 15.00 C ATOM 909 CD2 TYR A 95 3.026 33.730 19.965 1.00 15.00 C ATOM 910 CE1 TYR A 95 1.140 31.699 20.368 1.00 15.00 C ATOM 911 CE2 TYR A 95 3.394 32.555 20.632 1.00 15.00 C ATOM 912 CZ TYR A 95 2.451 31.540 20.833 1.00 15.00 C ATOM 913 OH TYR A 95 2.811 30.381 21.492 1.00 15.00 O ATOM 0 H TYR A 95 3.408 35.252 17.121 1.00 15.00 H new ATOM 0 HA TYR A 95 0.627 34.228 16.957 1.00 15.00 H new ATOM 0 HB2 TYR A 95 1.996 35.958 19.064 1.00 15.00 H new ATOM 0 HB3 TYR A 95 0.319 35.452 19.104 1.00 15.00 H new ATOM 0 HD1 TYR A 95 -0.240 32.998 19.346 1.00 15.00 H new ATOM 0 HD2 TYR A 95 3.753 34.513 19.809 1.00 15.00 H new ATOM 0 HE1 TYR A 95 0.413 30.915 20.522 1.00 15.00 H new ATOM 0 HE2 TYR A 95 4.405 32.432 20.991 1.00 15.00 H new ATOM 0 HH TYR A 95 3.568 29.964 21.030 1.00 15.00 H new ATOM 923 N SER A 96 -0.422 36.441 16.385 1.00 15.00 N ATOM 924 CA SER A 96 -0.968 37.616 15.713 1.00 15.00 C ATOM 925 C SER A 96 -1.028 38.819 16.650 1.00 15.00 C ATOM 926 O SER A 96 -0.765 39.948 16.238 1.00 15.00 O ATOM 927 CB SER A 96 -2.373 37.308 15.191 1.00 15.00 C ATOM 928 OG SER A 96 -2.320 36.155 14.363 1.00 15.00 O ATOM 0 H SER A 96 -1.118 35.744 16.652 1.00 15.00 H new ATOM 0 HA SER A 96 -0.307 37.863 14.882 1.00 15.00 H new ATOM 0 HB2 SER A 96 -3.055 37.141 16.024 1.00 15.00 H new ATOM 0 HB3 SER A 96 -2.759 38.158 14.628 1.00 15.00 H new ATOM 0 HG SER A 96 -3.218 35.952 14.027 1.00 15.00 H new ATOM 934 N SER A 97 -1.376 38.575 17.911 1.00 15.00 N ATOM 935 CA SER A 97 -1.553 39.667 18.863 1.00 15.00 C ATOM 936 C SER A 97 -1.194 39.231 20.280 1.00 15.00 C ATOM 937 O SER A 97 -0.985 38.046 20.546 1.00 15.00 O ATOM 938 CB SER A 97 -3.003 40.151 18.833 1.00 15.00 C ATOM 939 OG SER A 97 -3.842 39.152 19.397 1.00 15.00 O ATOM 0 H SER A 97 -1.539 37.644 18.293 1.00 15.00 H new ATOM 0 HA SER A 97 -0.885 40.478 18.573 1.00 15.00 H new ATOM 0 HB2 SER A 97 -3.100 41.082 19.392 1.00 15.00 H new ATOM 0 HB3 SER A 97 -3.307 40.362 17.808 1.00 15.00 H new ATOM 0 HG SER A 97 -4.772 39.459 19.381 1.00 15.00 H new ATOM 945 N GLU A 98 -1.122 40.203 21.184 1.00 15.00 N ATOM 946 CA GLU A 98 -0.776 39.926 22.576 1.00 15.00 C ATOM 947 C GLU A 98 -1.845 39.070 23.255 1.00 15.00 C ATOM 948 O GLU A 98 -1.530 38.222 24.090 1.00 15.00 O ATOM 949 CB GLU A 98 -0.608 41.232 23.357 1.00 15.00 C ATOM 950 CG GLU A 98 0.611 42.006 22.840 1.00 15.00 C ATOM 951 CD GLU A 98 0.308 42.723 21.524 1.00 15.00 C ATOM 952 OE1 GLU A 98 -0.857 42.930 21.221 1.00 15.00 O ATOM 953 OE2 GLU A 98 1.255 43.058 20.832 1.00 15.00 O ATOM 0 H GLU A 98 -1.298 41.187 20.980 1.00 15.00 H new ATOM 0 HA GLU A 98 0.165 39.376 22.574 1.00 15.00 H new ATOM 0 HB2 GLU A 98 -1.505 41.843 23.256 1.00 15.00 H new ATOM 0 HB3 GLU A 98 -0.487 41.016 24.419 1.00 15.00 H new ATOM 0 HG2 GLU A 98 0.924 42.735 23.588 1.00 15.00 H new ATOM 0 HG3 GLU A 98 1.445 41.319 22.697 1.00 15.00 H new ATOM 960 N SER A 99 -3.107 39.287 22.895 1.00 15.00 N ATOM 961 CA SER A 99 -4.205 38.558 23.524 1.00 15.00 C ATOM 962 C SER A 99 -4.007 37.053 23.382 1.00 15.00 C ATOM 963 O SER A 99 -4.197 36.298 24.337 1.00 15.00 O ATOM 964 CB SER A 99 -5.533 38.962 22.882 1.00 15.00 C ATOM 965 OG SER A 99 -6.602 38.392 23.626 1.00 15.00 O ATOM 0 H SER A 99 -3.393 39.954 22.179 1.00 15.00 H new ATOM 0 HA SER A 99 -4.220 38.810 24.584 1.00 15.00 H new ATOM 0 HB2 SER A 99 -5.626 40.048 22.862 1.00 15.00 H new ATOM 0 HB3 SER A 99 -5.570 38.620 21.848 1.00 15.00 H new ATOM 0 HG SER A 99 -7.456 38.649 23.220 1.00 15.00 H new ATOM 971 N GLU A 100 -3.586 36.622 22.199 1.00 15.00 N ATOM 972 CA GLU A 100 -3.385 35.199 21.946 1.00 15.00 C ATOM 973 C GLU A 100 -2.317 34.617 22.870 1.00 15.00 C ATOM 974 O GLU A 100 -2.428 33.471 23.306 1.00 15.00 O ATOM 975 CB GLU A 100 -2.994 34.980 20.483 1.00 15.00 C ATOM 976 CG GLU A 100 -4.170 35.380 19.584 1.00 15.00 C ATOM 977 CD GLU A 100 -3.871 35.115 18.106 1.00 15.00 C ATOM 978 OE1 GLU A 100 -2.717 34.912 17.759 1.00 15.00 O ATOM 979 OE2 GLU A 100 -4.810 35.150 17.329 1.00 15.00 O ATOM 0 H GLU A 100 -3.379 37.230 21.406 1.00 15.00 H new ATOM 0 HA GLU A 100 -4.322 34.682 22.150 1.00 15.00 H new ATOM 0 HB2 GLU A 100 -2.113 35.573 20.236 1.00 15.00 H new ATOM 0 HB3 GLU A 100 -2.732 33.935 20.316 1.00 15.00 H new ATOM 0 HG2 GLU A 100 -5.060 34.824 19.880 1.00 15.00 H new ATOM 0 HG3 GLU A 100 -4.393 36.437 19.726 1.00 15.00 H new ATOM 986 N MET A 101 -1.285 35.404 23.169 1.00 15.00 N ATOM 987 CA MET A 101 -0.225 34.943 24.059 1.00 15.00 C ATOM 988 C MET A 101 -0.755 34.735 25.475 1.00 15.00 C ATOM 989 O MET A 101 -0.542 33.686 26.081 1.00 15.00 O ATOM 990 CB MET A 101 0.917 35.963 24.087 1.00 15.00 C ATOM 991 CG MET A 101 1.556 36.055 22.701 1.00 15.00 C ATOM 992 SD MET A 101 3.039 37.090 22.789 1.00 15.00 S ATOM 993 CE MET A 101 4.090 35.910 23.672 1.00 15.00 C ATOM 0 H MET A 101 -1.162 36.352 22.813 1.00 15.00 H new ATOM 0 HA MET A 101 0.145 33.990 23.680 1.00 15.00 H new ATOM 0 HB2 MET A 101 0.539 36.939 24.390 1.00 15.00 H new ATOM 0 HB3 MET A 101 1.664 35.668 24.824 1.00 15.00 H new ATOM 0 HG2 MET A 101 1.815 35.059 22.341 1.00 15.00 H new ATOM 0 HG3 MET A 101 0.847 36.477 21.989 1.00 15.00 H new ATOM 0 HE1 MET A 101 5.115 35.995 23.311 1.00 15.00 H new ATOM 0 HE2 MET A 101 4.062 36.126 24.740 1.00 15.00 H new ATOM 0 HE3 MET A 101 3.727 34.897 23.497 1.00 15.00 H new ATOM 1003 N MET A 102 -1.497 35.715 25.980 1.00 15.00 N ATOM 1004 CA MET A 102 -2.023 35.640 27.341 1.00 15.00 C ATOM 1005 C MET A 102 -2.926 34.422 27.524 1.00 15.00 C ATOM 1006 O MET A 102 -2.923 33.791 28.581 1.00 15.00 O ATOM 1007 CB MET A 102 -2.810 36.911 27.665 1.00 15.00 C ATOM 1008 CG MET A 102 -1.858 38.109 27.692 1.00 15.00 C ATOM 1009 SD MET A 102 -2.767 39.593 28.189 1.00 15.00 S ATOM 1010 CE MET A 102 -1.407 40.769 27.985 1.00 15.00 C ATOM 0 H MET A 102 -1.747 36.564 25.474 1.00 15.00 H new ATOM 0 HA MET A 102 -1.177 35.544 28.022 1.00 15.00 H new ATOM 0 HB2 MET A 102 -3.589 37.069 26.919 1.00 15.00 H new ATOM 0 HB3 MET A 102 -3.308 36.807 28.629 1.00 15.00 H new ATOM 0 HG2 MET A 102 -1.040 37.921 28.387 1.00 15.00 H new ATOM 0 HG3 MET A 102 -1.413 38.255 26.708 1.00 15.00 H new ATOM 0 HE1 MET A 102 -1.750 41.771 28.243 1.00 15.00 H new ATOM 0 HE2 MET A 102 -0.582 40.488 28.640 1.00 15.00 H new ATOM 0 HE3 MET A 102 -1.068 40.757 26.949 1.00 15.00 H new ATOM 1020 N LYS A 103 -3.698 34.098 26.493 1.00 15.00 N ATOM 1021 CA LYS A 103 -4.628 32.971 26.561 1.00 15.00 C ATOM 1022 C LYS A 103 -4.003 31.655 26.077 1.00 15.00 C ATOM 1023 O LYS A 103 -4.725 30.698 25.798 1.00 15.00 O ATOM 1024 CB LYS A 103 -5.862 33.278 25.710 1.00 15.00 C ATOM 1025 CG LYS A 103 -6.596 34.487 26.291 1.00 15.00 C ATOM 1026 CD LYS A 103 -7.887 34.728 25.506 1.00 15.00 C ATOM 1027 CE LYS A 103 -8.558 36.008 26.005 1.00 15.00 C ATOM 1028 NZ LYS A 103 -9.588 36.447 25.021 1.00 15.00 N ATOM 0 H LYS A 103 -3.701 34.596 25.603 1.00 15.00 H new ATOM 0 HA LYS A 103 -4.898 32.841 27.609 1.00 15.00 H new ATOM 0 HB2 LYS A 103 -5.566 33.480 24.681 1.00 15.00 H new ATOM 0 HB3 LYS A 103 -6.525 32.413 25.687 1.00 15.00 H new ATOM 0 HG2 LYS A 103 -6.824 34.316 27.343 1.00 15.00 H new ATOM 0 HG3 LYS A 103 -5.959 35.370 26.243 1.00 15.00 H new ATOM 0 HD2 LYS A 103 -7.667 34.811 24.442 1.00 15.00 H new ATOM 0 HD3 LYS A 103 -8.562 33.881 25.627 1.00 15.00 H new ATOM 0 HE2 LYS A 103 -9.020 35.834 26.977 1.00 15.00 H new ATOM 0 HE3 LYS A 103 -7.813 36.792 26.142 1.00 15.00 H new ATOM 0 HZ1 LYS A 103 -10.044 37.318 25.361 1.00 15.00 H new ATOM 0 HZ2 LYS A 103 -9.135 36.629 24.103 1.00 15.00 H new ATOM 0 HZ3 LYS A 103 -10.304 35.701 24.912 1.00 15.00 H new ATOM 1042 N ALA A 104 -2.673 31.594 25.975 1.00 15.00 N ATOM 1043 CA ALA A 104 -2.000 30.389 25.499 1.00 15.00 C ATOM 1044 C ALA A 104 -2.431 29.160 26.295 1.00 15.00 C ATOM 1045 O ALA A 104 -2.662 29.235 27.502 1.00 15.00 O ATOM 1046 CB ALA A 104 -0.484 30.563 25.615 1.00 15.00 C ATOM 0 H ALA A 104 -2.046 32.362 26.215 1.00 15.00 H new ATOM 0 HA ALA A 104 -2.279 30.238 24.456 1.00 15.00 H new ATOM 0 HB1 ALA A 104 0.014 29.661 25.259 1.00 15.00 H new ATOM 0 HB2 ALA A 104 -0.168 31.414 25.012 1.00 15.00 H new ATOM 0 HB3 ALA A 104 -0.216 30.737 26.657 1.00 15.00 H new ATOM 1052 N ALA A 105 -2.533 28.031 25.600 1.00 15.00 N ATOM 1053 CA ALA A 105 -2.942 26.778 26.226 1.00 15.00 C ATOM 1054 C ALA A 105 -1.969 25.651 25.864 1.00 15.00 C ATOM 1055 O ALA A 105 -1.124 25.831 24.986 1.00 15.00 O ATOM 1056 CB ALA A 105 -4.351 26.402 25.766 1.00 15.00 C ATOM 0 H ALA A 105 -2.338 27.958 24.602 1.00 15.00 H new ATOM 0 HA ALA A 105 -2.935 26.915 27.307 1.00 15.00 H new ATOM 0 HB1 ALA A 105 -4.650 25.466 26.237 1.00 15.00 H new ATOM 0 HB2 ALA A 105 -5.049 27.190 26.050 1.00 15.00 H new ATOM 0 HB3 ALA A 105 -4.360 26.282 24.683 1.00 15.00 H new ATOM 1062 N PRO A 106 -2.060 24.504 26.505 1.00 15.00 N ATOM 1063 CA PRO A 106 -1.131 23.367 26.210 1.00 15.00 C ATOM 1064 C PRO A 106 -1.127 22.983 24.732 1.00 15.00 C ATOM 1065 O PRO A 106 -2.151 23.074 24.054 1.00 15.00 O ATOM 1066 CB PRO A 106 -1.652 22.209 27.066 1.00 15.00 C ATOM 1067 CG PRO A 106 -2.447 22.845 28.153 1.00 15.00 C ATOM 1068 CD PRO A 106 -3.022 24.130 27.564 1.00 15.00 C ATOM 0 HA PRO A 106 -0.099 23.635 26.438 1.00 15.00 H new ATOM 0 HB2 PRO A 106 -2.267 21.530 26.475 1.00 15.00 H new ATOM 0 HB3 PRO A 106 -0.830 21.621 27.474 1.00 15.00 H new ATOM 0 HG2 PRO A 106 -3.243 22.182 28.492 1.00 15.00 H new ATOM 0 HG3 PRO A 106 -1.821 23.060 29.019 1.00 15.00 H new ATOM 0 HD2 PRO A 106 -4.020 23.970 27.157 1.00 15.00 H new ATOM 0 HD3 PRO A 106 -3.107 24.911 28.319 1.00 15.00 H new ATOM 1076 N GLY A 107 0.033 22.555 24.241 1.00 15.00 N ATOM 1077 CA GLY A 107 0.155 22.111 22.853 1.00 15.00 C ATOM 1078 C GLY A 107 0.846 23.139 21.951 1.00 15.00 C ATOM 1079 O GLY A 107 1.321 22.783 20.872 1.00 15.00 O ATOM 0 H GLY A 107 0.898 22.506 24.779 1.00 15.00 H new ATOM 0 HA2 GLY A 107 0.716 21.177 22.825 1.00 15.00 H new ATOM 0 HA3 GLY A 107 -0.838 21.899 22.457 1.00 15.00 H new ATOM 1083 N GLN A 108 0.908 24.401 22.379 1.00 15.00 N ATOM 1084 CA GLN A 108 1.532 25.439 21.562 1.00 15.00 C ATOM 1085 C GLN A 108 3.033 25.500 21.817 1.00 15.00 C ATOM 1086 O GLN A 108 3.513 25.058 22.860 1.00 15.00 O ATOM 1087 CB GLN A 108 0.890 26.798 21.844 1.00 15.00 C ATOM 1088 CG GLN A 108 -0.564 26.771 21.368 1.00 15.00 C ATOM 1089 CD GLN A 108 -1.211 28.135 21.579 1.00 15.00 C ATOM 1090 OE1 GLN A 108 -1.679 28.433 22.677 1.00 15.00 O ATOM 1091 NE2 GLN A 108 -1.264 28.985 20.591 1.00 15.00 N ATOM 0 H GLN A 108 0.539 24.724 23.273 1.00 15.00 H new ATOM 0 HA GLN A 108 1.373 25.188 20.513 1.00 15.00 H new ATOM 0 HB2 GLN A 108 0.933 27.021 22.910 1.00 15.00 H new ATOM 0 HB3 GLN A 108 1.439 27.587 21.331 1.00 15.00 H new ATOM 0 HG2 GLN A 108 -0.604 26.500 20.313 1.00 15.00 H new ATOM 0 HG3 GLN A 108 -1.119 26.008 21.914 1.00 15.00 H new ATOM 0 HE21 GLN A 108 -0.875 28.735 19.682 1.00 15.00 H new ATOM 0 HE22 GLN A 108 -1.694 29.900 20.728 1.00 15.00 H new ATOM 1100 N GLN A 109 3.775 26.037 20.851 1.00 15.00 N ATOM 1101 CA GLN A 109 5.230 26.104 20.957 1.00 15.00 C ATOM 1102 C GLN A 109 5.707 27.545 21.117 1.00 15.00 C ATOM 1103 O GLN A 109 5.072 28.484 20.635 1.00 15.00 O ATOM 1104 CB GLN A 109 5.868 25.496 19.705 1.00 15.00 C ATOM 1105 CG GLN A 109 5.517 24.009 19.623 1.00 15.00 C ATOM 1106 CD GLN A 109 6.068 23.397 18.337 1.00 15.00 C ATOM 1107 OE1 GLN A 109 6.394 24.113 17.389 1.00 15.00 O ATOM 1108 NE2 GLN A 109 6.193 22.101 18.248 1.00 15.00 N ATOM 0 H GLN A 109 3.395 26.430 19.990 1.00 15.00 H new ATOM 0 HA GLN A 109 5.530 25.540 21.840 1.00 15.00 H new ATOM 0 HB2 GLN A 109 5.512 26.014 18.815 1.00 15.00 H new ATOM 0 HB3 GLN A 109 6.950 25.624 19.737 1.00 15.00 H new ATOM 0 HG2 GLN A 109 5.927 23.485 20.486 1.00 15.00 H new ATOM 0 HG3 GLN A 109 4.435 23.883 19.658 1.00 15.00 H new ATOM 0 HE21 GLN A 109 5.923 21.508 19.033 1.00 15.00 H new ATOM 0 HE22 GLN A 109 6.560 21.682 17.394 1.00 15.00 H new ATOM 1117 N ILE A 110 6.807 27.705 21.844 1.00 15.00 N ATOM 1118 CA ILE A 110 7.452 29.002 22.005 1.00 15.00 C ATOM 1119 C ILE A 110 8.919 28.894 21.592 1.00 15.00 C ATOM 1120 O ILE A 110 9.593 27.925 21.936 1.00 15.00 O ATOM 1121 CB ILE A 110 7.339 29.457 23.467 1.00 15.00 C ATOM 1122 CG1 ILE A 110 5.858 29.567 23.843 1.00 15.00 C ATOM 1123 CG2 ILE A 110 8.017 30.818 23.656 1.00 15.00 C ATOM 1124 CD1 ILE A 110 5.719 29.815 25.346 1.00 15.00 C ATOM 0 H ILE A 110 7.274 26.943 22.336 1.00 15.00 H new ATOM 0 HA ILE A 110 6.959 29.739 21.371 1.00 15.00 H new ATOM 0 HB ILE A 110 7.834 28.728 24.108 1.00 15.00 H new ATOM 0 HG12 ILE A 110 5.392 30.381 23.287 1.00 15.00 H new ATOM 0 HG13 ILE A 110 5.335 28.652 23.567 1.00 15.00 H new ATOM 0 HG21 ILE A 110 7.928 31.127 24.698 1.00 15.00 H new ATOM 0 HG22 ILE A 110 9.071 30.740 23.389 1.00 15.00 H new ATOM 0 HG23 ILE A 110 7.535 31.557 23.016 1.00 15.00 H new ATOM 0 HD11 ILE A 110 4.663 29.892 25.606 1.00 15.00 H new ATOM 0 HD12 ILE A 110 6.168 28.987 25.894 1.00 15.00 H new ATOM 0 HD13 ILE A 110 6.226 30.743 25.610 1.00 15.00 H new ATOM 1136 N ILE A 111 9.413 29.890 20.860 1.00 15.00 N ATOM 1137 CA ILE A 111 10.806 29.882 20.418 1.00 15.00 C ATOM 1138 C ILE A 111 11.618 30.901 21.213 1.00 15.00 C ATOM 1139 O ILE A 111 11.201 32.046 21.387 1.00 15.00 O ATOM 1140 CB ILE A 111 10.901 30.202 18.921 1.00 15.00 C ATOM 1141 CG1 ILE A 111 10.030 29.225 18.124 1.00 15.00 C ATOM 1142 CG2 ILE A 111 12.355 30.060 18.459 1.00 15.00 C ATOM 1143 CD1 ILE A 111 9.993 29.650 16.655 1.00 15.00 C ATOM 0 H ILE A 111 8.876 30.705 20.563 1.00 15.00 H new ATOM 0 HA ILE A 111 11.212 28.885 20.591 1.00 15.00 H new ATOM 0 HB ILE A 111 10.555 31.222 18.753 1.00 15.00 H new ATOM 0 HG12 ILE A 111 10.428 28.214 18.210 1.00 15.00 H new ATOM 0 HG13 ILE A 111 9.020 29.206 18.533 1.00 15.00 H new ATOM 0 HG21 ILE A 111 12.423 30.287 17.395 1.00 15.00 H new ATOM 0 HG22 ILE A 111 12.984 30.752 19.019 1.00 15.00 H new ATOM 0 HG23 ILE A 111 12.694 29.039 18.634 1.00 15.00 H new ATOM 0 HD11 ILE A 111 9.373 28.954 16.090 1.00 15.00 H new ATOM 0 HD12 ILE A 111 9.575 30.654 16.577 1.00 15.00 H new ATOM 0 HD13 ILE A 111 11.005 29.646 16.249 1.00 15.00 H new ATOM 1155 N LEU A 112 12.781 30.468 21.692 1.00 15.00 N ATOM 1156 CA LEU A 112 13.689 31.344 22.422 1.00 15.00 C ATOM 1157 C LEU A 112 15.057 31.374 21.732 1.00 15.00 C ATOM 1158 O LEU A 112 15.860 30.462 21.943 1.00 15.00 O ATOM 1159 CB LEU A 112 13.858 30.828 23.853 1.00 15.00 C ATOM 1160 CG LEU A 112 12.558 31.047 24.628 1.00 15.00 C ATOM 1161 CD1 LEU A 112 12.575 30.204 25.904 1.00 15.00 C ATOM 1162 CD2 LEU A 112 12.430 32.526 24.998 1.00 15.00 C ATOM 0 H LEU A 112 13.117 29.511 21.586 1.00 15.00 H new ATOM 0 HA LEU A 112 13.272 32.351 22.440 1.00 15.00 H new ATOM 0 HB2 LEU A 112 14.114 29.768 23.842 1.00 15.00 H new ATOM 0 HB3 LEU A 112 14.680 31.349 24.345 1.00 15.00 H new ATOM 0 HG LEU A 112 11.712 30.751 24.008 1.00 15.00 H new ATOM 0 HD11 LEU A 112 11.648 30.361 26.456 1.00 15.00 H new ATOM 0 HD12 LEU A 112 12.668 29.150 25.642 1.00 15.00 H new ATOM 0 HD13 LEU A 112 13.421 30.500 26.524 1.00 15.00 H new ATOM 0 HD21 LEU A 112 11.504 32.684 25.551 1.00 15.00 H new ATOM 0 HD22 LEU A 112 13.277 32.821 25.618 1.00 15.00 H new ATOM 0 HD23 LEU A 112 12.418 33.129 24.090 1.00 15.00 H new ATOM 1174 N PRO A 113 15.324 32.335 20.871 1.00 15.00 N ATOM 1175 CA PRO A 113 16.671 32.455 20.236 1.00 15.00 C ATOM 1176 C PRO A 113 17.698 33.053 21.195 1.00 15.00 C ATOM 1177 O PRO A 113 17.686 34.255 21.461 1.00 15.00 O ATOM 1178 CB PRO A 113 16.440 33.377 19.039 1.00 15.00 C ATOM 1179 CG PRO A 113 15.272 34.220 19.416 1.00 15.00 C ATOM 1180 CD PRO A 113 14.412 33.383 20.364 1.00 15.00 C ATOM 0 HA PRO A 113 17.075 31.484 19.949 1.00 15.00 H new ATOM 0 HB2 PRO A 113 17.319 33.989 18.838 1.00 15.00 H new ATOM 0 HB3 PRO A 113 16.237 32.804 18.134 1.00 15.00 H new ATOM 0 HG2 PRO A 113 15.599 35.140 19.901 1.00 15.00 H new ATOM 0 HG3 PRO A 113 14.703 34.510 18.533 1.00 15.00 H new ATOM 0 HD2 PRO A 113 14.014 33.990 21.178 1.00 15.00 H new ATOM 0 HD3 PRO A 113 13.558 32.948 19.844 1.00 15.00 H new