USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=18 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 165:sc= 0.224 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0415) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0743 USER MOD Single : A 77 SER OG : rot -31:sc= 0.548 USER MOD Single : A 78 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.017) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -2.52 K(o=-2.5,f=-5!) 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 -69:sc= 1.21 USER MOD Single : A 91 ASN : amide:sc= -2.85! C(o=-2.9!,f=-6.6!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 HIS : no HE2:sc= -2.22 K(o=-2.2,f=-4.6!) USER MOD Single : A 95 TYR OH : rot 122:sc= 0.177 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 146:sc= -0.108 (180deg=-0.838) USER MOD Single : A 102 MET CE :methyl -152:sc= -0.26 (180deg=-1.25) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= 0.176 K(o=0.18,f=-2.8!) USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 385 N LEU A 63 16.694 27.309 20.858 1.00 15.00 N ATOM 386 CA LEU A 63 16.063 26.427 21.841 1.00 15.00 C ATOM 387 C LEU A 63 14.551 26.368 21.647 1.00 15.00 C ATOM 388 O LEU A 63 13.884 27.399 21.583 1.00 15.00 O ATOM 389 CB LEU A 63 16.367 26.928 23.257 1.00 15.00 C ATOM 390 CG LEU A 63 17.881 27.004 23.475 1.00 15.00 C ATOM 391 CD1 LEU A 63 18.165 27.594 24.858 1.00 15.00 C ATOM 392 CD2 LEU A 63 18.487 25.601 23.394 1.00 15.00 C ATOM 0 HA LEU A 63 16.470 25.426 21.700 1.00 15.00 H new ATOM 0 HB2 LEU A 63 15.920 27.911 23.407 1.00 15.00 H new ATOM 0 HB3 LEU A 63 15.919 26.259 23.992 1.00 15.00 H new ATOM 0 HG LEU A 63 18.324 27.635 22.705 1.00 15.00 H new ATOM 0 HD11 LEU A 63 19.242 27.649 25.016 1.00 15.00 H new ATOM 0 HD12 LEU A 63 17.737 28.595 24.922 1.00 15.00 H new ATOM 0 HD13 LEU A 63 17.718 26.959 25.623 1.00 15.00 H new ATOM 0 HD21 LEU A 63 19.564 25.660 23.550 1.00 15.00 H new ATOM 0 HD22 LEU A 63 18.044 24.968 24.163 1.00 15.00 H new ATOM 0 HD23 LEU A 63 18.285 25.174 22.412 1.00 15.00 H new ATOM 404 N PHE A 64 14.021 25.154 21.529 1.00 15.00 N ATOM 405 CA PHE A 64 12.576 24.957 21.473 1.00 15.00 C ATOM 406 C PHE A 64 12.029 24.605 22.854 1.00 15.00 C ATOM 407 O PHE A 64 12.574 23.739 23.540 1.00 15.00 O ATOM 408 CB PHE A 64 12.235 23.830 20.496 1.00 15.00 C ATOM 409 CG PHE A 64 12.508 24.176 19.051 1.00 15.00 C ATOM 410 CD1 PHE A 64 11.548 24.870 18.306 1.00 15.00 C ATOM 411 CD2 PHE A 64 13.716 23.795 18.454 1.00 15.00 C ATOM 412 CE1 PHE A 64 11.795 25.186 16.965 1.00 15.00 C ATOM 413 CE2 PHE A 64 13.964 24.110 17.113 1.00 15.00 C ATOM 414 CZ PHE A 64 13.003 24.805 16.369 1.00 15.00 C ATOM 0 H PHE A 64 14.568 24.295 21.471 1.00 15.00 H new ATOM 0 HA PHE A 64 12.119 25.886 21.133 1.00 15.00 H new ATOM 0 HB2 PHE A 64 12.810 22.943 20.763 1.00 15.00 H new ATOM 0 HB3 PHE A 64 11.182 23.572 20.606 1.00 15.00 H new ATOM 0 HD1 PHE A 64 10.616 25.162 18.766 1.00 15.00 H new ATOM 0 HD2 PHE A 64 14.456 23.258 19.028 1.00 15.00 H new ATOM 0 HE1 PHE A 64 11.055 25.723 16.391 1.00 15.00 H new ATOM 0 HE2 PHE A 64 14.896 23.817 16.653 1.00 15.00 H new ATOM 0 HZ PHE A 64 13.194 25.047 15.334 1.00 15.00 H new ATOM 424 N TYR A 65 10.952 25.273 23.265 1.00 15.00 N ATOM 425 CA TYR A 65 10.276 24.926 24.514 1.00 15.00 C ATOM 426 C TYR A 65 8.796 24.672 24.247 1.00 15.00 C ATOM 427 O TYR A 65 8.190 25.338 23.411 1.00 15.00 O ATOM 428 CB TYR A 65 10.424 26.052 25.537 1.00 15.00 C ATOM 429 CG TYR A 65 10.025 25.638 26.935 1.00 15.00 C ATOM 430 CD1 TYR A 65 10.975 25.060 27.786 1.00 15.00 C ATOM 431 CD2 TYR A 65 8.711 25.824 27.378 1.00 15.00 C ATOM 432 CE1 TYR A 65 10.611 24.669 29.079 1.00 15.00 C ATOM 433 CE2 TYR A 65 8.345 25.430 28.672 1.00 15.00 C ATOM 434 CZ TYR A 65 9.296 24.853 29.523 1.00 15.00 C ATOM 435 OH TYR A 65 8.941 24.461 30.799 1.00 15.00 O ATOM 0 H TYR A 65 10.532 26.051 22.756 1.00 15.00 H new ATOM 0 HA TYR A 65 10.736 24.023 24.917 1.00 15.00 H new ATOM 0 HB2 TYR A 65 11.459 26.392 25.547 1.00 15.00 H new ATOM 0 HB3 TYR A 65 9.813 26.899 25.227 1.00 15.00 H new ATOM 0 HD1 TYR A 65 11.989 24.916 27.444 1.00 15.00 H new ATOM 0 HD2 TYR A 65 7.979 26.271 26.722 1.00 15.00 H new ATOM 0 HE1 TYR A 65 11.345 24.225 29.735 1.00 15.00 H new ATOM 0 HE2 TYR A 65 7.330 25.571 29.013 1.00 15.00 H new ATOM 0 HH TYR A 65 8.080 24.863 31.037 1.00 15.00 H new ATOM 445 N THR A 66 8.216 23.707 24.957 1.00 15.00 N ATOM 446 CA THR A 66 6.816 23.342 24.742 1.00 15.00 C ATOM 447 C THR A 66 5.953 23.757 25.931 1.00 15.00 C ATOM 448 O THR A 66 6.376 23.668 27.084 1.00 15.00 O ATOM 449 CB THR A 66 6.702 21.829 24.536 1.00 15.00 C ATOM 450 OG1 THR A 66 7.587 21.429 23.500 1.00 15.00 O ATOM 451 CG2 THR A 66 5.267 21.469 24.150 1.00 15.00 C ATOM 0 H THR A 66 8.689 23.167 25.681 1.00 15.00 H new ATOM 0 HA THR A 66 6.460 23.865 23.855 1.00 15.00 H new ATOM 0 HB THR A 66 6.965 21.315 25.461 1.00 15.00 H new ATOM 0 HG1 THR A 66 7.518 20.461 23.367 1.00 15.00 H new ATOM 0 HG21 THR A 66 5.189 20.392 24.004 1.00 15.00 H new ATOM 0 HG22 THR A 66 4.588 21.778 24.945 1.00 15.00 H new ATOM 0 HG23 THR A 66 5.000 21.981 23.225 1.00 15.00 H new ATOM 459 N LEU A 67 4.739 24.211 25.635 1.00 15.00 N ATOM 460 CA LEU A 67 3.802 24.626 26.672 1.00 15.00 C ATOM 461 C LEU A 67 2.993 23.438 27.182 1.00 15.00 C ATOM 462 O LEU A 67 2.376 22.717 26.399 1.00 15.00 O ATOM 463 CB LEU A 67 2.848 25.679 26.102 1.00 15.00 C ATOM 464 CG LEU A 67 3.622 26.956 25.759 1.00 15.00 C ATOM 465 CD1 LEU A 67 2.704 27.918 25.002 1.00 15.00 C ATOM 466 CD2 LEU A 67 4.103 27.623 27.050 1.00 15.00 C ATOM 0 H LEU A 67 4.381 24.301 24.684 1.00 15.00 H new ATOM 0 HA LEU A 67 4.369 25.043 27.504 1.00 15.00 H new ATOM 0 HB2 LEU A 67 2.356 25.291 25.210 1.00 15.00 H new ATOM 0 HB3 LEU A 67 2.065 25.902 26.826 1.00 15.00 H new ATOM 0 HG LEU A 67 4.481 26.705 25.137 1.00 15.00 H new ATOM 0 HD11 LEU A 67 3.253 28.827 24.757 1.00 15.00 H new ATOM 0 HD12 LEU A 67 2.358 27.444 24.083 1.00 15.00 H new ATOM 0 HD13 LEU A 67 1.846 28.169 25.626 1.00 15.00 H new ATOM 0 HD21 LEU A 67 4.654 28.532 26.807 1.00 15.00 H new ATOM 0 HD22 LEU A 67 3.244 27.875 27.671 1.00 15.00 H new ATOM 0 HD23 LEU A 67 4.755 26.938 27.593 1.00 15.00 H new ATOM 478 N LYS A 68 2.972 23.265 28.502 1.00 15.00 N ATOM 479 CA LYS A 68 2.232 22.167 29.119 1.00 15.00 C ATOM 480 C LYS A 68 1.237 22.700 30.147 1.00 15.00 C ATOM 481 O LYS A 68 1.501 23.685 30.836 1.00 15.00 O ATOM 482 CB LYS A 68 3.205 21.205 29.805 1.00 15.00 C ATOM 483 CG LYS A 68 4.120 20.570 28.757 1.00 15.00 C ATOM 484 CD LYS A 68 5.020 19.530 29.427 1.00 15.00 C ATOM 485 CE LYS A 68 6.017 18.981 28.405 1.00 15.00 C ATOM 486 NZ LYS A 68 7.121 19.964 28.210 1.00 15.00 N ATOM 0 H LYS A 68 3.458 23.870 29.164 1.00 15.00 H new ATOM 0 HA LYS A 68 1.684 21.640 28.338 1.00 15.00 H new ATOM 0 HB2 LYS A 68 3.799 21.739 30.546 1.00 15.00 H new ATOM 0 HB3 LYS A 68 2.653 20.431 30.338 1.00 15.00 H new ATOM 0 HG2 LYS A 68 3.523 20.100 27.975 1.00 15.00 H new ATOM 0 HG3 LYS A 68 4.728 21.337 28.277 1.00 15.00 H new ATOM 0 HD2 LYS A 68 5.553 19.981 30.264 1.00 15.00 H new ATOM 0 HD3 LYS A 68 4.416 18.719 29.833 1.00 15.00 H new ATOM 0 HE2 LYS A 68 6.420 18.029 28.750 1.00 15.00 H new ATOM 0 HE3 LYS A 68 5.514 18.790 27.457 1.00 15.00 H new ATOM 0 HZ1 LYS A 68 7.881 19.526 27.651 1.00 15.00 H new ATOM 0 HZ2 LYS A 68 6.758 20.799 27.707 1.00 15.00 H new ATOM 0 HZ3 LYS A 68 7.496 20.253 29.136 1.00 15.00 H new ATOM 500 N THR A 69 0.100 22.023 30.275 1.00 15.00 N ATOM 501 CA THR A 69 -0.939 22.457 31.206 1.00 15.00 C ATOM 502 C THR A 69 -0.379 22.607 32.619 1.00 15.00 C ATOM 503 O THR A 69 0.382 21.762 33.090 1.00 15.00 O ATOM 504 CB THR A 69 -2.089 21.446 31.216 1.00 15.00 C ATOM 505 OG1 THR A 69 -3.072 21.862 32.152 1.00 15.00 O ATOM 506 CG2 THR A 69 -1.559 20.065 31.607 1.00 15.00 C ATOM 0 H THR A 69 -0.126 21.178 29.751 1.00 15.00 H new ATOM 0 HA THR A 69 -1.308 23.427 30.873 1.00 15.00 H new ATOM 0 HB THR A 69 -2.532 21.391 30.222 1.00 15.00 H new ATOM 0 HG1 THR A 69 -3.810 21.218 32.159 1.00 15.00 H new ATOM 0 HG21 THR A 69 -2.380 19.348 31.613 1.00 15.00 H new ATOM 0 HG22 THR A 69 -0.805 19.747 30.887 1.00 15.00 H new ATOM 0 HG23 THR A 69 -1.113 20.114 32.600 1.00 15.00 H new ATOM 514 N GLY A 70 -0.764 23.690 33.288 1.00 15.00 N ATOM 515 CA GLY A 70 -0.295 23.954 34.646 1.00 15.00 C ATOM 516 C GLY A 70 0.719 25.099 34.697 1.00 15.00 C ATOM 517 O GLY A 70 0.845 25.769 35.722 1.00 15.00 O ATOM 0 H GLY A 70 -1.397 24.397 32.914 1.00 15.00 H new ATOM 0 HA2 GLY A 70 -1.147 24.197 35.281 1.00 15.00 H new ATOM 0 HA3 GLY A 70 0.159 23.051 35.053 1.00 15.00 H new ATOM 521 N GLU A 71 1.443 25.330 33.600 1.00 15.00 N ATOM 522 CA GLU A 71 2.436 26.400 33.557 1.00 15.00 C ATOM 523 C GLU A 71 1.962 27.525 32.642 1.00 15.00 C ATOM 524 O GLU A 71 1.299 27.277 31.635 1.00 15.00 O ATOM 525 CB GLU A 71 3.769 25.854 33.044 1.00 15.00 C ATOM 526 CG GLU A 71 4.860 26.915 33.235 1.00 15.00 C ATOM 527 CD GLU A 71 6.205 26.462 32.657 1.00 15.00 C ATOM 528 OE1 GLU A 71 6.271 25.405 32.045 1.00 15.00 O ATOM 529 OE2 GLU A 71 7.167 27.186 32.849 1.00 15.00 O ATOM 0 H GLU A 71 1.360 24.794 32.736 1.00 15.00 H new ATOM 0 HA GLU A 71 2.568 26.792 34.565 1.00 15.00 H new ATOM 0 HB2 GLU A 71 4.033 24.944 33.582 1.00 15.00 H new ATOM 0 HB3 GLU A 71 3.685 25.588 31.990 1.00 15.00 H new ATOM 0 HG2 GLU A 71 4.552 27.843 32.753 1.00 15.00 H new ATOM 0 HG3 GLU A 71 4.975 27.130 34.297 1.00 15.00 H new ATOM 536 N THR A 72 2.306 28.761 32.995 1.00 15.00 N ATOM 537 CA THR A 72 1.898 29.921 32.202 1.00 15.00 C ATOM 538 C THR A 72 3.113 30.604 31.579 1.00 15.00 C ATOM 539 O THR A 72 4.248 30.411 32.016 1.00 15.00 O ATOM 540 CB THR A 72 1.148 30.928 33.081 1.00 15.00 C ATOM 541 OG1 THR A 72 2.029 31.441 34.070 1.00 15.00 O ATOM 542 CG2 THR A 72 -0.048 30.249 33.753 1.00 15.00 C ATOM 0 H THR A 72 2.863 28.986 33.819 1.00 15.00 H new ATOM 0 HA THR A 72 1.240 29.571 31.407 1.00 15.00 H new ATOM 0 HB THR A 72 0.785 31.746 32.459 1.00 15.00 H new ATOM 0 HG1 THR A 72 1.550 32.086 34.632 1.00 15.00 H new ATOM 0 HG21 THR A 72 -0.575 30.972 34.375 1.00 15.00 H new ATOM 0 HG22 THR A 72 -0.725 29.866 32.990 1.00 15.00 H new ATOM 0 HG23 THR A 72 0.303 29.424 34.373 1.00 15.00 H new ATOM 550 N VAL A 73 2.864 31.422 30.561 1.00 15.00 N ATOM 551 CA VAL A 73 3.946 32.117 29.870 1.00 15.00 C ATOM 552 C VAL A 73 4.738 32.969 30.860 1.00 15.00 C ATOM 553 O VAL A 73 5.968 33.000 30.819 1.00 15.00 O ATOM 554 CB VAL A 73 3.372 32.997 28.753 1.00 15.00 C ATOM 555 CG1 VAL A 73 4.503 33.696 27.991 1.00 15.00 C ATOM 556 CG2 VAL A 73 2.576 32.127 27.775 1.00 15.00 C ATOM 0 H VAL A 73 1.931 31.619 30.198 1.00 15.00 H new ATOM 0 HA VAL A 73 4.617 31.380 29.428 1.00 15.00 H new ATOM 0 HB VAL A 73 2.722 33.749 29.200 1.00 15.00 H new ATOM 0 HG11 VAL A 73 4.080 34.317 27.201 1.00 15.00 H new ATOM 0 HG12 VAL A 73 5.073 34.321 28.678 1.00 15.00 H new ATOM 0 HG13 VAL A 73 5.162 32.948 27.550 1.00 15.00 H new ATOM 0 HG21 VAL A 73 2.168 32.752 26.981 1.00 15.00 H new ATOM 0 HG22 VAL A 73 3.233 31.373 27.342 1.00 15.00 H new ATOM 0 HG23 VAL A 73 1.760 31.636 28.306 1.00 15.00 H new ATOM 566 N ALA A 74 4.032 33.642 31.763 1.00 15.00 N ATOM 567 CA ALA A 74 4.693 34.495 32.744 1.00 15.00 C ATOM 568 C ALA A 74 5.654 33.680 33.606 1.00 15.00 C ATOM 569 O ALA A 74 6.754 34.138 33.917 1.00 15.00 O ATOM 570 CB ALA A 74 3.651 35.185 33.629 1.00 15.00 C ATOM 0 H ALA A 74 3.015 33.615 31.836 1.00 15.00 H new ATOM 0 HA ALA A 74 5.266 35.254 32.210 1.00 15.00 H new ATOM 0 HB1 ALA A 74 4.155 35.819 34.358 1.00 15.00 H new ATOM 0 HB2 ALA A 74 2.994 35.796 33.009 1.00 15.00 H new ATOM 0 HB3 ALA A 74 3.061 34.432 34.151 1.00 15.00 H new ATOM 576 N ASP A 75 5.253 32.464 33.968 1.00 15.00 N ATOM 577 CA ASP A 75 6.103 31.614 34.798 1.00 15.00 C ATOM 578 C ASP A 75 7.426 31.339 34.092 1.00 15.00 C ATOM 579 O ASP A 75 8.498 31.446 34.688 1.00 15.00 O ATOM 580 CB ASP A 75 5.398 30.288 35.100 1.00 15.00 C ATOM 581 CG ASP A 75 4.166 30.500 35.982 1.00 15.00 C ATOM 582 OD1 ASP A 75 4.092 31.516 36.657 1.00 15.00 O ATOM 583 OD2 ASP A 75 3.309 29.631 35.975 1.00 15.00 O ATOM 0 H ASP A 75 4.359 32.050 33.705 1.00 15.00 H new ATOM 0 HA ASP A 75 6.299 32.135 35.735 1.00 15.00 H new ATOM 0 HB2 ASP A 75 5.101 29.811 34.166 1.00 15.00 H new ATOM 0 HB3 ASP A 75 6.092 29.610 35.598 1.00 15.00 H new ATOM 588 N LEU A 76 7.346 31.013 32.806 1.00 15.00 N ATOM 589 CA LEU A 76 8.549 30.750 32.023 1.00 15.00 C ATOM 590 C LEU A 76 9.468 31.966 32.037 1.00 15.00 C ATOM 591 O LEU A 76 10.678 31.847 32.222 1.00 15.00 O ATOM 592 CB LEU A 76 8.176 30.419 30.577 1.00 15.00 C ATOM 593 CG LEU A 76 7.504 29.047 30.514 1.00 15.00 C ATOM 594 CD1 LEU A 76 6.692 28.937 29.222 1.00 15.00 C ATOM 595 CD2 LEU A 76 8.579 27.956 30.526 1.00 15.00 C ATOM 0 H LEU A 76 6.472 30.925 32.288 1.00 15.00 H new ATOM 0 HA LEU A 76 9.068 29.901 32.468 1.00 15.00 H new ATOM 0 HB2 LEU A 76 7.504 31.181 30.182 1.00 15.00 H new ATOM 0 HB3 LEU A 76 9.069 30.426 29.951 1.00 15.00 H new ATOM 0 HG LEU A 76 6.844 28.925 31.373 1.00 15.00 H new ATOM 0 HD11 LEU A 76 6.212 27.959 29.176 1.00 15.00 H new ATOM 0 HD12 LEU A 76 5.930 29.716 29.204 1.00 15.00 H new ATOM 0 HD13 LEU A 76 7.354 29.057 28.365 1.00 15.00 H new ATOM 0 HD21 LEU A 76 8.104 26.976 30.481 1.00 15.00 H new ATOM 0 HD22 LEU A 76 9.234 28.081 29.664 1.00 15.00 H new ATOM 0 HD23 LEU A 76 9.165 28.033 31.442 1.00 15.00 H new ATOM 607 N SER A 77 8.876 33.140 31.867 1.00 15.00 N ATOM 608 CA SER A 77 9.646 34.376 31.806 1.00 15.00 C ATOM 609 C SER A 77 10.440 34.590 33.090 1.00 15.00 C ATOM 610 O SER A 77 11.602 34.991 33.047 1.00 15.00 O ATOM 611 CB SER A 77 8.700 35.556 31.588 1.00 15.00 C ATOM 612 OG SER A 77 9.459 36.710 31.254 1.00 15.00 O ATOM 0 H SER A 77 7.868 33.263 31.769 1.00 15.00 H new ATOM 0 HA SER A 77 10.348 34.304 30.975 1.00 15.00 H new ATOM 0 HB2 SER A 77 7.993 35.328 30.790 1.00 15.00 H new ATOM 0 HB3 SER A 77 8.115 35.739 32.489 1.00 15.00 H new ATOM 0 HG SER A 77 10.336 36.661 31.688 1.00 15.00 H new ATOM 618 N LYS A 78 9.805 34.328 34.226 1.00 15.00 N ATOM 619 CA LYS A 78 10.450 34.536 35.517 1.00 15.00 C ATOM 620 C LYS A 78 11.665 33.627 35.678 1.00 15.00 C ATOM 621 O LYS A 78 12.736 34.073 36.089 1.00 15.00 O ATOM 622 CB LYS A 78 9.451 34.262 36.645 1.00 15.00 C ATOM 623 CG LYS A 78 10.078 34.629 37.992 1.00 15.00 C ATOM 624 CD LYS A 78 9.108 34.276 39.120 1.00 15.00 C ATOM 625 CE LYS A 78 9.667 34.780 40.452 1.00 15.00 C ATOM 626 NZ LYS A 78 9.394 36.239 40.584 1.00 15.00 N ATOM 0 H LYS A 78 8.850 33.973 34.280 1.00 15.00 H new ATOM 0 HA LYS A 78 10.787 35.571 35.566 1.00 15.00 H new ATOM 0 HB2 LYS A 78 8.542 34.842 36.487 1.00 15.00 H new ATOM 0 HB3 LYS A 78 9.164 33.211 36.641 1.00 15.00 H new ATOM 0 HG2 LYS A 78 11.018 34.093 38.125 1.00 15.00 H new ATOM 0 HG3 LYS A 78 10.311 35.693 38.019 1.00 15.00 H new ATOM 0 HD2 LYS A 78 8.133 34.725 38.929 1.00 15.00 H new ATOM 0 HD3 LYS A 78 8.959 33.197 39.161 1.00 15.00 H new ATOM 0 HE2 LYS A 78 9.210 34.237 41.279 1.00 15.00 H new ATOM 0 HE3 LYS A 78 10.740 34.594 40.502 1.00 15.00 H new ATOM 0 HZ1 LYS A 78 9.697 36.565 41.524 1.00 15.00 H new ATOM 0 HZ2 LYS A 78 9.919 36.758 39.851 1.00 15.00 H new ATOM 0 HZ3 LYS A 78 8.375 36.413 40.469 1.00 15.00 H new ATOM 640 N SER A 79 11.491 32.351 35.352 1.00 15.00 N ATOM 641 CA SER A 79 12.565 31.378 35.519 1.00 15.00 C ATOM 642 C SER A 79 13.778 31.746 34.670 1.00 15.00 C ATOM 643 O SER A 79 14.918 31.666 35.129 1.00 15.00 O ATOM 644 CB SER A 79 12.072 29.985 35.126 1.00 15.00 C ATOM 645 OG SER A 79 13.064 29.026 35.464 1.00 15.00 O ATOM 0 H SER A 79 10.624 31.968 34.974 1.00 15.00 H new ATOM 0 HA SER A 79 12.863 31.381 36.568 1.00 15.00 H new ATOM 0 HB2 SER A 79 11.139 29.758 35.641 1.00 15.00 H new ATOM 0 HB3 SER A 79 11.863 29.948 34.057 1.00 15.00 H new ATOM 0 HG SER A 79 12.752 28.131 35.215 1.00 15.00 H new ATOM 651 N GLN A 80 13.524 32.149 33.430 1.00 15.00 N ATOM 652 CA GLN A 80 14.603 32.503 32.509 1.00 15.00 C ATOM 653 C GLN A 80 15.186 33.901 32.762 1.00 15.00 C ATOM 654 O GLN A 80 16.167 34.278 32.119 1.00 15.00 O ATOM 655 CB GLN A 80 14.086 32.430 31.071 1.00 15.00 C ATOM 656 CG GLN A 80 13.691 30.987 30.744 1.00 15.00 C ATOM 657 CD GLN A 80 13.088 30.900 29.343 1.00 15.00 C ATOM 658 OE1 GLN A 80 12.669 31.909 28.774 1.00 15.00 O ATOM 659 NE2 GLN A 80 13.020 29.741 28.748 1.00 15.00 N ATOM 0 H GLN A 80 12.586 32.239 33.039 1.00 15.00 H new ATOM 0 HA GLN A 80 15.407 31.786 32.677 1.00 15.00 H new ATOM 0 HB2 GLN A 80 13.228 33.090 30.948 1.00 15.00 H new ATOM 0 HB3 GLN A 80 14.855 32.774 30.379 1.00 15.00 H new ATOM 0 HG2 GLN A 80 14.566 30.341 30.810 1.00 15.00 H new ATOM 0 HG3 GLN A 80 12.972 30.626 31.479 1.00 15.00 H new ATOM 0 HE21 GLN A 80 13.367 28.905 29.218 1.00 15.00 H new ATOM 0 HE22 GLN A 80 12.620 29.671 27.812 1.00 15.00 H new ATOM 668 N ASP A 81 14.602 34.670 33.683 1.00 15.00 N ATOM 669 CA ASP A 81 15.078 36.024 33.949 1.00 15.00 C ATOM 670 C ASP A 81 15.003 36.873 32.680 1.00 15.00 C ATOM 671 O ASP A 81 15.912 37.645 32.370 1.00 15.00 O ATOM 672 CB ASP A 81 16.519 35.975 34.467 1.00 15.00 C ATOM 673 CG ASP A 81 16.948 37.356 34.949 1.00 15.00 C ATOM 674 OD1 ASP A 81 16.619 37.698 36.073 1.00 15.00 O ATOM 675 OD2 ASP A 81 17.601 38.051 34.188 1.00 15.00 O ATOM 0 H ASP A 81 13.806 34.380 34.251 1.00 15.00 H new ATOM 0 HA ASP A 81 14.442 36.479 34.708 1.00 15.00 H new ATOM 0 HB2 ASP A 81 16.597 35.256 35.283 1.00 15.00 H new ATOM 0 HB3 ASP A 81 17.187 35.633 33.676 1.00 15.00 H new ATOM 680 N ILE A 82 13.900 36.727 31.952 1.00 15.00 N ATOM 681 CA ILE A 82 13.685 37.472 30.714 1.00 15.00 C ATOM 682 C ILE A 82 12.462 38.373 30.862 1.00 15.00 C ATOM 683 O ILE A 82 11.536 38.054 31.607 1.00 15.00 O ATOM 684 CB ILE A 82 13.482 36.502 29.543 1.00 15.00 C ATOM 685 CG1 ILE A 82 14.692 35.568 29.432 1.00 15.00 C ATOM 686 CG2 ILE A 82 13.334 37.285 28.235 1.00 15.00 C ATOM 687 CD1 ILE A 82 14.410 34.482 28.392 1.00 15.00 C ATOM 0 H ILE A 82 13.137 36.096 32.199 1.00 15.00 H new ATOM 0 HA ILE A 82 14.562 38.087 30.512 1.00 15.00 H new ATOM 0 HB ILE A 82 12.579 35.918 29.721 1.00 15.00 H new ATOM 0 HG12 ILE A 82 15.578 36.136 29.148 1.00 15.00 H new ATOM 0 HG13 ILE A 82 14.902 35.113 30.400 1.00 15.00 H new ATOM 0 HG21 ILE A 82 13.190 36.589 27.409 1.00 15.00 H new ATOM 0 HG22 ILE A 82 12.473 37.949 28.304 1.00 15.00 H new ATOM 0 HG23 ILE A 82 14.234 37.875 28.060 1.00 15.00 H new ATOM 0 HD11 ILE A 82 15.272 33.819 28.315 1.00 15.00 H new ATOM 0 HD12 ILE A 82 13.536 33.906 28.695 1.00 15.00 H new ATOM 0 HD13 ILE A 82 14.221 34.946 27.424 1.00 15.00 H new ATOM 699 N ASN A 83 12.470 39.503 30.163 1.00 15.00 N ATOM 700 CA ASN A 83 11.349 40.433 30.227 1.00 15.00 C ATOM 701 C ASN A 83 10.249 40.014 29.257 1.00 15.00 C ATOM 702 O ASN A 83 10.522 39.602 28.128 1.00 15.00 O ATOM 703 CB ASN A 83 11.823 41.847 29.885 1.00 15.00 C ATOM 704 CG ASN A 83 12.821 42.341 30.930 1.00 15.00 C ATOM 705 OD1 ASN A 83 12.845 41.845 32.057 1.00 15.00 O ATOM 706 ND2 ASN A 83 13.653 43.297 30.619 1.00 15.00 N ATOM 0 H ASN A 83 13.232 39.795 29.551 1.00 15.00 H new ATOM 0 HA ASN A 83 10.948 40.420 31.240 1.00 15.00 H new ATOM 0 HB2 ASN A 83 12.287 41.853 28.899 1.00 15.00 H new ATOM 0 HB3 ASN A 83 10.969 42.523 29.840 1.00 15.00 H new ATOM 0 HD21 ASN A 83 14.324 43.634 31.310 1.00 15.00 H new ATOM 0 HD22 ASN A 83 13.633 43.707 29.685 1.00 15.00 H new ATOM 713 N LEU A 84 9.000 40.131 29.694 1.00 15.00 N ATOM 714 CA LEU A 84 7.870 39.748 28.852 1.00 15.00 C ATOM 715 C LEU A 84 7.899 40.504 27.525 1.00 15.00 C ATOM 716 O LEU A 84 7.582 39.941 26.479 1.00 15.00 O ATOM 717 CB LEU A 84 6.549 40.030 29.575 1.00 15.00 C ATOM 718 CG LEU A 84 6.486 39.244 30.889 1.00 15.00 C ATOM 719 CD1 LEU A 84 5.207 39.614 31.643 1.00 15.00 C ATOM 720 CD2 LEU A 84 6.475 37.742 30.592 1.00 15.00 C ATOM 0 H LEU A 84 8.745 40.484 30.616 1.00 15.00 H new ATOM 0 HA LEU A 84 7.949 38.680 28.648 1.00 15.00 H new ATOM 0 HB2 LEU A 84 6.457 41.097 29.777 1.00 15.00 H new ATOM 0 HB3 LEU A 84 5.710 39.753 28.936 1.00 15.00 H new ATOM 0 HG LEU A 84 7.357 39.490 31.496 1.00 15.00 H new ATOM 0 HD11 LEU A 84 5.161 39.055 32.578 1.00 15.00 H new ATOM 0 HD12 LEU A 84 5.208 40.683 31.858 1.00 15.00 H new ATOM 0 HD13 LEU A 84 4.340 39.368 31.031 1.00 15.00 H new ATOM 0 HD21 LEU A 84 6.430 37.186 31.529 1.00 15.00 H new ATOM 0 HD22 LEU A 84 5.604 37.498 29.983 1.00 15.00 H new ATOM 0 HD23 LEU A 84 7.383 37.471 30.052 1.00 15.00 H new ATOM 732 N SER A 85 8.301 41.772 27.566 1.00 15.00 N ATOM 733 CA SER A 85 8.365 42.576 26.351 1.00 15.00 C ATOM 734 C SER A 85 9.305 41.932 25.337 1.00 15.00 C ATOM 735 O SER A 85 8.989 41.841 24.152 1.00 15.00 O ATOM 736 CB SER A 85 8.857 43.986 26.682 1.00 15.00 C ATOM 737 OG SER A 85 8.734 44.807 25.528 1.00 15.00 O ATOM 0 H SER A 85 8.584 42.259 28.416 1.00 15.00 H new ATOM 0 HA SER A 85 7.365 42.634 25.921 1.00 15.00 H new ATOM 0 HB2 SER A 85 8.275 44.404 27.504 1.00 15.00 H new ATOM 0 HB3 SER A 85 9.896 43.954 27.011 1.00 15.00 H new ATOM 0 HG SER A 85 9.047 45.712 25.736 1.00 15.00 H new ATOM 743 N THR A 86 10.450 41.457 25.816 1.00 15.00 N ATOM 744 CA THR A 86 11.432 40.835 24.933 1.00 15.00 C ATOM 745 C THR A 86 10.851 39.592 24.266 1.00 15.00 C ATOM 746 O THR A 86 10.990 39.394 23.057 1.00 15.00 O ATOM 747 CB THR A 86 12.682 40.455 25.731 1.00 15.00 C ATOM 748 OG1 THR A 86 13.158 41.597 26.429 1.00 15.00 O ATOM 749 CG2 THR A 86 13.766 39.950 24.777 1.00 15.00 C ATOM 0 H THR A 86 10.720 41.489 26.799 1.00 15.00 H new ATOM 0 HA THR A 86 11.699 41.552 24.157 1.00 15.00 H new ATOM 0 HB THR A 86 12.434 39.668 26.443 1.00 15.00 H new ATOM 0 HG1 THR A 86 13.957 41.357 26.942 1.00 15.00 H new ATOM 0 HG21 THR A 86 14.655 39.680 25.347 1.00 15.00 H new ATOM 0 HG22 THR A 86 13.399 39.075 24.240 1.00 15.00 H new ATOM 0 HG23 THR A 86 14.017 40.735 24.063 1.00 15.00 H new ATOM 757 N ILE A 87 10.164 38.768 25.052 1.00 15.00 N ATOM 758 CA ILE A 87 9.597 37.527 24.532 1.00 15.00 C ATOM 759 C ILE A 87 8.650 37.833 23.373 1.00 15.00 C ATOM 760 O ILE A 87 8.705 37.192 22.325 1.00 15.00 O ATOM 761 CB ILE A 87 8.845 36.782 25.643 1.00 15.00 C ATOM 762 CG1 ILE A 87 9.797 36.508 26.811 1.00 15.00 C ATOM 763 CG2 ILE A 87 8.313 35.447 25.112 1.00 15.00 C ATOM 764 CD1 ILE A 87 9.012 35.923 27.989 1.00 15.00 C ATOM 0 H ILE A 87 9.987 38.934 26.043 1.00 15.00 H new ATOM 0 HA ILE A 87 10.407 36.893 24.171 1.00 15.00 H new ATOM 0 HB ILE A 87 8.011 37.398 25.979 1.00 15.00 H new ATOM 0 HG12 ILE A 87 10.578 35.814 26.501 1.00 15.00 H new ATOM 0 HG13 ILE A 87 10.292 37.431 27.114 1.00 15.00 H new ATOM 0 HG21 ILE A 87 7.781 34.925 25.907 1.00 15.00 H new ATOM 0 HG22 ILE A 87 7.633 35.631 24.280 1.00 15.00 H new ATOM 0 HG23 ILE A 87 9.146 34.833 24.770 1.00 15.00 H new ATOM 0 HD11 ILE A 87 9.692 35.729 28.819 1.00 15.00 H new ATOM 0 HD12 ILE A 87 8.247 36.633 28.305 1.00 15.00 H new ATOM 0 HD13 ILE A 87 8.538 34.991 27.683 1.00 15.00 H new ATOM 776 N TRP A 88 7.796 38.829 23.568 1.00 15.00 N ATOM 777 CA TRP A 88 6.851 39.223 22.529 1.00 15.00 C ATOM 778 C TRP A 88 7.574 39.644 21.252 1.00 15.00 C ATOM 779 O TRP A 88 7.238 39.183 20.163 1.00 15.00 O ATOM 780 CB TRP A 88 5.983 40.380 23.024 1.00 15.00 C ATOM 781 CG TRP A 88 4.943 40.804 22.036 1.00 15.00 C ATOM 782 CD1 TRP A 88 3.705 40.273 21.934 1.00 15.00 C ATOM 783 CD2 TRP A 88 5.033 41.834 21.008 1.00 15.00 C ATOM 784 NE1 TRP A 88 3.027 40.910 20.912 1.00 15.00 N ATOM 785 CE2 TRP A 88 3.802 41.880 20.309 1.00 15.00 C ATOM 786 CE3 TRP A 88 6.050 42.723 20.618 1.00 15.00 C ATOM 787 CZ2 TRP A 88 3.591 42.779 19.260 1.00 15.00 C ATOM 788 CZ3 TRP A 88 5.841 43.625 19.566 1.00 15.00 C ATOM 789 CH2 TRP A 88 4.616 43.653 18.887 1.00 15.00 C ATOM 0 H TRP A 88 7.737 39.375 24.427 1.00 15.00 H new ATOM 0 HA TRP A 88 6.224 38.360 22.303 1.00 15.00 H new ATOM 0 HB2 TRP A 88 5.494 40.087 23.953 1.00 15.00 H new ATOM 0 HB3 TRP A 88 6.623 41.232 23.256 1.00 15.00 H new ATOM 0 HD1 TRP A 88 3.309 39.480 22.551 1.00 15.00 H new ATOM 0 HE1 TRP A 88 2.070 40.690 20.637 1.00 15.00 H new ATOM 0 HE3 TRP A 88 6.999 42.711 21.133 1.00 15.00 H new ATOM 0 HZ2 TRP A 88 2.644 42.798 18.742 1.00 15.00 H new ATOM 0 HZ3 TRP A 88 6.630 44.303 19.277 1.00 15.00 H new ATOM 0 HH2 TRP A 88 4.464 44.350 18.076 1.00 15.00 H new ATOM 800 N SER A 89 8.589 40.490 21.387 1.00 15.00 N ATOM 801 CA SER A 89 9.279 41.029 20.219 1.00 15.00 C ATOM 802 C SER A 89 9.786 39.914 19.306 1.00 15.00 C ATOM 803 O SER A 89 9.719 40.031 18.082 1.00 15.00 O ATOM 804 CB SER A 89 10.458 41.893 20.666 1.00 15.00 C ATOM 805 OG SER A 89 11.454 41.061 21.248 1.00 15.00 O ATOM 0 H SER A 89 8.950 40.815 22.284 1.00 15.00 H new ATOM 0 HA SER A 89 8.565 41.633 19.659 1.00 15.00 H new ATOM 0 HB2 SER A 89 10.871 42.434 19.815 1.00 15.00 H new ATOM 0 HB3 SER A 89 10.124 42.640 21.387 1.00 15.00 H new ATOM 0 HG SER A 89 11.128 40.710 22.103 1.00 15.00 H new ATOM 811 N LEU A 90 10.291 38.837 19.901 1.00 15.00 N ATOM 812 CA LEU A 90 10.802 37.718 19.115 1.00 15.00 C ATOM 813 C LEU A 90 9.670 36.905 18.486 1.00 15.00 C ATOM 814 O LEU A 90 9.641 36.703 17.271 1.00 15.00 O ATOM 815 CB LEU A 90 11.648 36.802 20.004 1.00 15.00 C ATOM 816 CG LEU A 90 12.798 37.596 20.628 1.00 15.00 C ATOM 817 CD1 LEU A 90 13.568 36.697 21.599 1.00 15.00 C ATOM 818 CD2 LEU A 90 13.750 38.080 19.530 1.00 15.00 C ATOM 0 H LEU A 90 10.357 38.715 20.912 1.00 15.00 H new ATOM 0 HA LEU A 90 11.413 38.130 18.312 1.00 15.00 H new ATOM 0 HB2 LEU A 90 11.027 36.368 20.788 1.00 15.00 H new ATOM 0 HB3 LEU A 90 12.044 35.974 19.415 1.00 15.00 H new ATOM 0 HG LEU A 90 12.392 38.456 21.161 1.00 15.00 H new ATOM 0 HD11 LEU A 90 14.388 37.261 22.045 1.00 15.00 H new ATOM 0 HD12 LEU A 90 12.896 36.351 22.385 1.00 15.00 H new ATOM 0 HD13 LEU A 90 13.969 35.839 21.060 1.00 15.00 H new ATOM 0 HD21 LEU A 90 14.567 38.645 19.980 1.00 15.00 H new ATOM 0 HD22 LEU A 90 14.154 37.221 18.994 1.00 15.00 H new ATOM 0 HD23 LEU A 90 13.207 38.719 18.834 1.00 15.00 H new ATOM 830 N ASN A 91 8.720 36.466 19.306 1.00 15.00 N ATOM 831 CA ASN A 91 7.654 35.583 18.824 1.00 15.00 C ATOM 832 C ASN A 91 6.447 36.335 18.247 1.00 15.00 C ATOM 833 O ASN A 91 5.430 35.716 17.928 1.00 15.00 O ATOM 834 CB ASN A 91 7.186 34.677 19.965 1.00 15.00 C ATOM 835 CG ASN A 91 8.319 33.748 20.387 1.00 15.00 C ATOM 836 OD1 ASN A 91 8.225 32.532 20.220 1.00 15.00 O ATOM 837 ND2 ASN A 91 9.397 34.246 20.928 1.00 15.00 N ATOM 0 H ASN A 91 8.663 36.702 20.297 1.00 15.00 H new ATOM 0 HA ASN A 91 8.080 34.999 18.008 1.00 15.00 H new ATOM 0 HB2 ASN A 91 6.865 35.282 20.813 1.00 15.00 H new ATOM 0 HB3 ASN A 91 6.324 34.092 19.646 1.00 15.00 H new ATOM 0 HD21 ASN A 91 10.158 33.628 21.211 1.00 15.00 H new ATOM 0 HD22 ASN A 91 9.479 35.253 21.068 1.00 15.00 H new ATOM 844 N LYS A 92 6.542 37.656 18.106 1.00 15.00 N ATOM 845 CA LYS A 92 5.454 38.439 17.528 1.00 15.00 C ATOM 846 C LYS A 92 4.997 37.877 16.178 1.00 15.00 C ATOM 847 O LYS A 92 3.830 38.018 15.813 1.00 15.00 O ATOM 848 CB LYS A 92 5.887 39.906 17.397 1.00 15.00 C ATOM 849 CG LYS A 92 6.993 40.062 16.346 1.00 15.00 C ATOM 850 CD LYS A 92 7.486 41.510 16.334 1.00 15.00 C ATOM 851 CE LYS A 92 8.352 41.746 15.095 1.00 15.00 C ATOM 852 NZ LYS A 92 8.948 43.110 15.159 1.00 15.00 N ATOM 0 H LYS A 92 7.357 38.203 18.383 1.00 15.00 H new ATOM 0 HA LYS A 92 4.597 38.377 18.199 1.00 15.00 H new ATOM 0 HB2 LYS A 92 5.029 40.519 17.120 1.00 15.00 H new ATOM 0 HB3 LYS A 92 6.242 40.271 18.361 1.00 15.00 H new ATOM 0 HG2 LYS A 92 7.819 39.387 16.570 1.00 15.00 H new ATOM 0 HG3 LYS A 92 6.615 39.787 15.361 1.00 15.00 H new ATOM 0 HD2 LYS A 92 6.637 42.194 16.333 1.00 15.00 H new ATOM 0 HD3 LYS A 92 8.061 41.717 17.237 1.00 15.00 H new ATOM 0 HE2 LYS A 92 9.140 40.995 15.041 1.00 15.00 H new ATOM 0 HE3 LYS A 92 7.750 41.642 14.192 1.00 15.00 H new ATOM 0 HZ1 LYS A 92 9.537 43.271 14.317 1.00 15.00 H new ATOM 0 HZ2 LYS A 92 8.188 43.820 15.191 1.00 15.00 H new ATOM 0 HZ3 LYS A 92 9.535 43.192 16.013 1.00 15.00 H new ATOM 866 N HIS A 93 5.914 37.260 15.435 1.00 15.00 N ATOM 867 CA HIS A 93 5.564 36.685 14.141 1.00 15.00 C ATOM 868 C HIS A 93 4.751 35.398 14.308 1.00 15.00 C ATOM 869 O HIS A 93 3.850 35.121 13.516 1.00 15.00 O ATOM 870 CB HIS A 93 6.831 36.432 13.310 1.00 15.00 C ATOM 871 CG HIS A 93 7.660 35.249 13.743 1.00 15.00 C ATOM 872 ND1 HIS A 93 8.587 35.317 14.774 1.00 15.00 N ATOM 873 CD2 HIS A 93 7.723 33.960 13.272 1.00 15.00 C ATOM 874 CE1 HIS A 93 9.161 34.106 14.884 1.00 15.00 C ATOM 875 NE2 HIS A 93 8.671 33.241 13.993 1.00 15.00 N ATOM 0 H HIS A 93 6.892 37.147 15.703 1.00 15.00 H new ATOM 0 HA HIS A 93 4.938 37.401 13.608 1.00 15.00 H new ATOM 0 HB2 HIS A 93 6.541 36.290 12.269 1.00 15.00 H new ATOM 0 HB3 HIS A 93 7.455 37.325 13.348 1.00 15.00 H new ATOM 0 HD1 HIS A 93 8.795 36.137 15.344 1.00 15.00 H new ATOM 0 HD2 HIS A 93 7.126 33.564 12.463 1.00 15.00 H new ATOM 0 HE1 HIS A 93 9.926 33.862 15.606 1.00 15.00 H new ATOM 883 N LEU A 94 5.073 34.615 15.336 1.00 15.00 N ATOM 884 CA LEU A 94 4.376 33.353 15.570 1.00 15.00 C ATOM 885 C LEU A 94 2.916 33.584 15.945 1.00 15.00 C ATOM 886 O LEU A 94 2.030 32.859 15.492 1.00 15.00 O ATOM 887 CB LEU A 94 5.066 32.573 16.694 1.00 15.00 C ATOM 888 CG LEU A 94 6.531 32.318 16.335 1.00 15.00 C ATOM 889 CD1 LEU A 94 7.227 31.626 17.509 1.00 15.00 C ATOM 890 CD2 LEU A 94 6.615 31.415 15.101 1.00 15.00 C ATOM 0 H LEU A 94 5.805 34.829 16.014 1.00 15.00 H new ATOM 0 HA LEU A 94 4.410 32.780 14.643 1.00 15.00 H new ATOM 0 HB2 LEU A 94 5.004 33.133 17.627 1.00 15.00 H new ATOM 0 HB3 LEU A 94 4.553 31.625 16.857 1.00 15.00 H new ATOM 0 HG LEU A 94 7.018 33.270 16.122 1.00 15.00 H new ATOM 0 HD11 LEU A 94 8.271 31.443 17.256 1.00 15.00 H new ATOM 0 HD12 LEU A 94 7.174 32.264 18.391 1.00 15.00 H new ATOM 0 HD13 LEU A 94 6.732 30.677 17.717 1.00 15.00 H new ATOM 0 HD21 LEU A 94 7.661 31.237 14.851 1.00 15.00 H new ATOM 0 HD22 LEU A 94 6.126 30.464 15.312 1.00 15.00 H new ATOM 0 HD23 LEU A 94 6.118 31.900 14.261 1.00 15.00 H new ATOM 902 N TYR A 95 2.667 34.595 16.775 1.00 15.00 N ATOM 903 CA TYR A 95 1.308 34.886 17.229 1.00 15.00 C ATOM 904 C TYR A 95 0.791 36.186 16.620 1.00 15.00 C ATOM 905 O TYR A 95 1.556 37.118 16.373 1.00 15.00 O ATOM 906 CB TYR A 95 1.284 34.986 18.754 1.00 15.00 C ATOM 907 CG TYR A 95 1.704 33.706 19.439 1.00 15.00 C ATOM 908 CD1 TYR A 95 0.788 32.656 19.578 1.00 15.00 C ATOM 909 CD2 TYR A 95 3.007 33.568 19.932 1.00 15.00 C ATOM 910 CE1 TYR A 95 1.175 31.468 20.209 1.00 15.00 C ATOM 911 CE2 TYR A 95 3.394 32.378 20.564 1.00 15.00 C ATOM 912 CZ TYR A 95 2.477 31.329 20.702 1.00 15.00 C ATOM 913 OH TYR A 95 2.855 30.158 21.328 1.00 15.00 O ATOM 0 H TYR A 95 3.382 35.222 17.145 1.00 15.00 H new ATOM 0 HA TYR A 95 0.658 34.074 16.903 1.00 15.00 H new ATOM 0 HB2 TYR A 95 1.945 35.794 19.070 1.00 15.00 H new ATOM 0 HB3 TYR A 95 0.278 35.252 19.079 1.00 15.00 H new ATOM 0 HD1 TYR A 95 -0.217 32.763 19.198 1.00 15.00 H new ATOM 0 HD2 TYR A 95 3.714 34.378 19.826 1.00 15.00 H new ATOM 0 HE1 TYR A 95 0.468 30.658 20.315 1.00 15.00 H new ATOM 0 HE2 TYR A 95 4.399 32.270 20.944 1.00 15.00 H new ATOM 0 HH TYR A 95 3.621 29.768 20.857 1.00 15.00 H new ATOM 923 N SER A 96 -0.516 36.236 16.389 1.00 15.00 N ATOM 924 CA SER A 96 -1.130 37.385 15.732 1.00 15.00 C ATOM 925 C SER A 96 -1.120 38.619 16.631 1.00 15.00 C ATOM 926 O SER A 96 -0.847 39.727 16.169 1.00 15.00 O ATOM 927 CB SER A 96 -2.570 37.050 15.346 1.00 15.00 C ATOM 928 OG SER A 96 -2.579 35.872 14.551 1.00 15.00 O ATOM 0 H SER A 96 -1.170 35.497 16.646 1.00 15.00 H new ATOM 0 HA SER A 96 -0.546 37.610 14.840 1.00 15.00 H new ATOM 0 HB2 SER A 96 -3.174 36.903 16.241 1.00 15.00 H new ATOM 0 HB3 SER A 96 -3.013 37.879 14.794 1.00 15.00 H new ATOM 0 HG SER A 96 -3.501 35.652 14.302 1.00 15.00 H new ATOM 934 N SER A 97 -1.416 38.424 17.913 1.00 15.00 N ATOM 935 CA SER A 97 -1.521 39.551 18.836 1.00 15.00 C ATOM 936 C SER A 97 -1.175 39.135 20.263 1.00 15.00 C ATOM 937 O SER A 97 -1.039 37.949 20.563 1.00 15.00 O ATOM 938 CB SER A 97 -2.941 40.119 18.803 1.00 15.00 C ATOM 939 OG SER A 97 -3.831 39.190 19.405 1.00 15.00 O ATOM 0 H SER A 97 -1.585 37.510 18.333 1.00 15.00 H new ATOM 0 HA SER A 97 -0.809 40.312 18.518 1.00 15.00 H new ATOM 0 HB2 SER A 97 -2.977 41.071 19.333 1.00 15.00 H new ATOM 0 HB3 SER A 97 -3.243 40.315 17.774 1.00 15.00 H new ATOM 0 HG SER A 97 -4.742 39.551 19.387 1.00 15.00 H new ATOM 945 N GLU A 98 -1.041 40.129 21.136 1.00 15.00 N ATOM 946 CA GLU A 98 -0.710 39.876 22.536 1.00 15.00 C ATOM 947 C GLU A 98 -1.785 39.033 23.219 1.00 15.00 C ATOM 948 O GLU A 98 -1.482 38.195 24.068 1.00 15.00 O ATOM 949 CB GLU A 98 -0.573 41.205 23.282 1.00 15.00 C ATOM 950 CG GLU A 98 0.591 42.010 22.693 1.00 15.00 C ATOM 951 CD GLU A 98 0.821 43.319 23.457 1.00 15.00 C ATOM 952 OE1 GLU A 98 -0.007 43.686 24.278 1.00 15.00 O ATOM 953 OE2 GLU A 98 1.839 43.943 23.205 1.00 15.00 O ATOM 0 H GLU A 98 -1.156 41.115 20.900 1.00 15.00 H new ATOM 0 HA GLU A 98 0.232 39.328 22.563 1.00 15.00 H new ATOM 0 HB2 GLU A 98 -1.499 41.775 23.203 1.00 15.00 H new ATOM 0 HB3 GLU A 98 -0.401 41.022 24.343 1.00 15.00 H new ATOM 0 HG2 GLU A 98 1.500 41.409 22.720 1.00 15.00 H new ATOM 0 HG3 GLU A 98 0.387 42.231 21.645 1.00 15.00 H new ATOM 960 N SER A 99 -3.045 39.249 22.846 1.00 15.00 N ATOM 961 CA SER A 99 -4.151 38.543 23.485 1.00 15.00 C ATOM 962 C SER A 99 -3.961 37.032 23.389 1.00 15.00 C ATOM 963 O SER A 99 -4.164 36.308 24.364 1.00 15.00 O ATOM 964 CB SER A 99 -5.470 38.935 22.820 1.00 15.00 C ATOM 965 OG SER A 99 -6.550 38.400 23.574 1.00 15.00 O ATOM 0 H SER A 99 -3.323 39.901 22.112 1.00 15.00 H new ATOM 0 HA SER A 99 -4.173 38.824 24.538 1.00 15.00 H new ATOM 0 HB2 SER A 99 -5.554 40.020 22.762 1.00 15.00 H new ATOM 0 HB3 SER A 99 -5.502 38.558 21.798 1.00 15.00 H new ATOM 0 HG SER A 99 -7.399 38.650 23.152 1.00 15.00 H new ATOM 971 N GLU A 100 -3.534 36.563 22.222 1.00 15.00 N ATOM 972 CA GLU A 100 -3.348 35.131 22.013 1.00 15.00 C ATOM 973 C GLU A 100 -2.288 34.566 22.956 1.00 15.00 C ATOM 974 O GLU A 100 -2.412 33.433 23.423 1.00 15.00 O ATOM 975 CB GLU A 100 -2.964 34.863 20.557 1.00 15.00 C ATOM 976 CG GLU A 100 -4.143 35.241 19.653 1.00 15.00 C ATOM 977 CD GLU A 100 -3.857 34.927 18.183 1.00 15.00 C ATOM 978 OE1 GLU A 100 -2.708 34.698 17.835 1.00 15.00 O ATOM 979 OE2 GLU A 100 -4.800 34.950 17.409 1.00 15.00 O ATOM 0 H GLU A 100 -3.312 37.145 21.414 1.00 15.00 H new ATOM 0 HA GLU A 100 -4.290 34.629 22.233 1.00 15.00 H new ATOM 0 HB2 GLU A 100 -2.082 35.443 20.287 1.00 15.00 H new ATOM 0 HB3 GLU A 100 -2.708 33.812 20.422 1.00 15.00 H new ATOM 0 HG2 GLU A 100 -5.034 34.701 19.973 1.00 15.00 H new ATOM 0 HG3 GLU A 100 -4.358 36.304 19.762 1.00 15.00 H new ATOM 986 N MET A 101 -1.248 35.349 23.236 1.00 15.00 N ATOM 987 CA MET A 101 -0.204 34.907 24.155 1.00 15.00 C ATOM 988 C MET A 101 -0.762 34.740 25.567 1.00 15.00 C ATOM 989 O MET A 101 -0.554 33.712 26.209 1.00 15.00 O ATOM 990 CB MET A 101 0.941 35.921 24.174 1.00 15.00 C ATOM 991 CG MET A 101 1.612 35.961 22.799 1.00 15.00 C ATOM 992 SD MET A 101 3.093 37.000 22.876 1.00 15.00 S ATOM 993 CE MET A 101 4.143 35.862 23.814 1.00 15.00 C ATOM 0 H MET A 101 -1.107 36.281 22.845 1.00 15.00 H new ATOM 0 HA MET A 101 0.170 33.943 23.809 1.00 15.00 H new ATOM 0 HB2 MET A 101 0.561 36.909 24.434 1.00 15.00 H new ATOM 0 HB3 MET A 101 1.669 35.649 24.938 1.00 15.00 H new ATOM 0 HG2 MET A 101 1.879 34.952 22.484 1.00 15.00 H new ATOM 0 HG3 MET A 101 0.918 36.354 22.056 1.00 15.00 H new ATOM 0 HE1 MET A 101 5.177 35.969 23.487 1.00 15.00 H new ATOM 0 HE2 MET A 101 4.072 36.094 24.877 1.00 15.00 H new ATOM 0 HE3 MET A 101 3.812 34.837 23.643 1.00 15.00 H new ATOM 1003 N MET A 102 -1.524 35.728 26.023 1.00 15.00 N ATOM 1004 CA MET A 102 -2.094 35.684 27.367 1.00 15.00 C ATOM 1005 C MET A 102 -2.988 34.457 27.547 1.00 15.00 C ATOM 1006 O MET A 102 -3.007 33.845 28.614 1.00 15.00 O ATOM 1007 CB MET A 102 -2.922 36.949 27.622 1.00 15.00 C ATOM 1008 CG MET A 102 -2.039 38.200 27.541 1.00 15.00 C ATOM 1009 SD MET A 102 -0.711 38.131 28.773 1.00 15.00 S ATOM 1010 CE MET A 102 -1.757 38.130 30.250 1.00 15.00 C ATOM 0 H MET A 102 -1.761 36.563 25.488 1.00 15.00 H new ATOM 0 HA MET A 102 -1.271 35.625 28.080 1.00 15.00 H new ATOM 0 HB2 MET A 102 -3.726 37.017 26.889 1.00 15.00 H new ATOM 0 HB3 MET A 102 -3.390 36.891 28.605 1.00 15.00 H new ATOM 0 HG2 MET A 102 -1.611 38.284 26.542 1.00 15.00 H new ATOM 0 HG3 MET A 102 -2.646 39.090 27.704 1.00 15.00 H new ATOM 0 HE1 MET A 102 -1.213 38.577 31.082 1.00 15.00 H new ATOM 0 HE2 MET A 102 -2.661 38.707 30.056 1.00 15.00 H new ATOM 0 HE3 MET A 102 -2.028 37.105 30.503 1.00 15.00 H new ATOM 1020 N LYS A 103 -3.726 34.106 26.499 1.00 15.00 N ATOM 1021 CA LYS A 103 -4.650 32.974 26.557 1.00 15.00 C ATOM 1022 C LYS A 103 -4.009 31.665 26.077 1.00 15.00 C ATOM 1023 O LYS A 103 -4.722 30.713 25.763 1.00 15.00 O ATOM 1024 CB LYS A 103 -5.874 33.270 25.689 1.00 15.00 C ATOM 1025 CG LYS A 103 -6.566 34.541 26.187 1.00 15.00 C ATOM 1026 CD LYS A 103 -7.918 34.706 25.487 1.00 15.00 C ATOM 1027 CE LYS A 103 -7.703 34.923 23.987 1.00 15.00 C ATOM 1028 NZ LYS A 103 -9.011 35.206 23.332 1.00 15.00 N ATOM 0 H LYS A 103 -3.704 34.587 25.600 1.00 15.00 H new ATOM 0 HA LYS A 103 -4.933 32.844 27.602 1.00 15.00 H new ATOM 0 HB2 LYS A 103 -5.573 33.393 24.649 1.00 15.00 H new ATOM 0 HB3 LYS A 103 -6.568 32.430 25.723 1.00 15.00 H new ATOM 0 HG2 LYS A 103 -6.709 34.489 27.266 1.00 15.00 H new ATOM 0 HG3 LYS A 103 -5.937 35.409 25.991 1.00 15.00 H new ATOM 0 HD2 LYS A 103 -8.533 33.821 25.651 1.00 15.00 H new ATOM 0 HD3 LYS A 103 -8.457 35.552 25.912 1.00 15.00 H new ATOM 0 HE2 LYS A 103 -7.016 35.753 23.824 1.00 15.00 H new ATOM 0 HE3 LYS A 103 -7.246 34.039 23.543 1.00 15.00 H new ATOM 0 HZ1 LYS A 103 -8.864 35.353 22.313 1.00 15.00 H new ATOM 0 HZ2 LYS A 103 -9.653 34.401 23.477 1.00 15.00 H new ATOM 0 HZ3 LYS A 103 -9.430 36.062 23.749 1.00 15.00 H new ATOM 1042 N ALA A 104 -2.677 31.604 26.017 1.00 15.00 N ATOM 1043 CA ALA A 104 -1.990 30.406 25.542 1.00 15.00 C ATOM 1044 C ALA A 104 -2.460 29.159 26.289 1.00 15.00 C ATOM 1045 O ALA A 104 -2.746 29.204 27.484 1.00 15.00 O ATOM 1046 CB ALA A 104 -0.480 30.566 25.726 1.00 15.00 C ATOM 0 H ALA A 104 -2.057 32.367 26.290 1.00 15.00 H new ATOM 0 HA ALA A 104 -2.227 30.283 24.485 1.00 15.00 H new ATOM 0 HB1 ALA A 104 0.027 29.669 25.370 1.00 15.00 H new ATOM 0 HB2 ALA A 104 -0.134 31.429 25.157 1.00 15.00 H new ATOM 0 HB3 ALA A 104 -0.256 30.714 26.782 1.00 15.00 H new ATOM 1052 N ALA A 105 -2.534 28.048 25.562 1.00 15.00 N ATOM 1053 CA ALA A 105 -2.991 26.784 26.132 1.00 15.00 C ATOM 1054 C ALA A 105 -2.000 25.659 25.819 1.00 15.00 C ATOM 1055 O ALA A 105 -1.092 25.851 25.010 1.00 15.00 O ATOM 1056 CB ALA A 105 -4.367 26.426 25.565 1.00 15.00 C ATOM 0 H ALA A 105 -2.283 27.997 24.575 1.00 15.00 H new ATOM 0 HA ALA A 105 -3.060 26.899 27.214 1.00 15.00 H new ATOM 0 HB1 ALA A 105 -4.703 25.482 25.994 1.00 15.00 H new ATOM 0 HB2 ALA A 105 -5.079 27.212 25.815 1.00 15.00 H new ATOM 0 HB3 ALA A 105 -4.300 26.329 24.481 1.00 15.00 H new ATOM 1062 N PRO A 106 -2.143 24.500 26.429 1.00 15.00 N ATOM 1063 CA PRO A 106 -1.192 23.369 26.192 1.00 15.00 C ATOM 1064 C PRO A 106 -1.132 22.956 24.722 1.00 15.00 C ATOM 1065 O PRO A 106 -2.133 23.022 24.007 1.00 15.00 O ATOM 1066 CB PRO A 106 -1.726 22.220 27.058 1.00 15.00 C ATOM 1067 CG PRO A 106 -2.627 22.854 28.060 1.00 15.00 C ATOM 1068 CD PRO A 106 -3.190 24.107 27.396 1.00 15.00 C ATOM 0 HA PRO A 106 -0.172 23.653 26.451 1.00 15.00 H new ATOM 0 HB2 PRO A 106 -2.265 21.492 26.452 1.00 15.00 H new ATOM 0 HB3 PRO A 106 -0.911 21.687 27.547 1.00 15.00 H new ATOM 0 HG2 PRO A 106 -3.428 22.173 28.349 1.00 15.00 H new ATOM 0 HG3 PRO A 106 -2.081 23.107 28.969 1.00 15.00 H new ATOM 0 HD2 PRO A 106 -4.138 23.903 26.897 1.00 15.00 H new ATOM 0 HD3 PRO A 106 -3.377 24.896 28.125 1.00 15.00 H new ATOM 1076 N GLY A 107 0.049 22.531 24.281 1.00 15.00 N ATOM 1077 CA GLY A 107 0.221 22.046 22.912 1.00 15.00 C ATOM 1078 C GLY A 107 0.913 23.057 21.992 1.00 15.00 C ATOM 1079 O GLY A 107 1.375 22.682 20.913 1.00 15.00 O ATOM 0 H GLY A 107 0.897 22.512 24.847 1.00 15.00 H new ATOM 0 HA2 GLY A 107 0.803 21.125 22.931 1.00 15.00 H new ATOM 0 HA3 GLY A 107 -0.756 21.797 22.497 1.00 15.00 H new ATOM 1083 N GLN A 108 0.991 24.324 22.400 1.00 15.00 N ATOM 1084 CA GLN A 108 1.618 25.345 21.563 1.00 15.00 C ATOM 1085 C GLN A 108 3.122 25.395 21.804 1.00 15.00 C ATOM 1086 O GLN A 108 3.605 24.990 22.861 1.00 15.00 O ATOM 1087 CB GLN A 108 0.990 26.714 21.831 1.00 15.00 C ATOM 1088 CG GLN A 108 -0.469 26.691 21.373 1.00 15.00 C ATOM 1089 CD GLN A 108 -1.102 28.064 21.566 1.00 15.00 C ATOM 1090 OE1 GLN A 108 -1.546 28.389 22.666 1.00 15.00 O ATOM 1091 NE2 GLN A 108 -1.171 28.890 20.559 1.00 15.00 N ATOM 0 H GLN A 108 0.633 24.664 23.293 1.00 15.00 H new ATOM 0 HA GLN A 108 1.448 25.081 20.519 1.00 15.00 H new ATOM 0 HB2 GLN A 108 1.047 26.953 22.893 1.00 15.00 H new ATOM 0 HB3 GLN A 108 1.539 27.491 21.299 1.00 15.00 H new ATOM 0 HG2 GLN A 108 -0.524 26.401 20.324 1.00 15.00 H new ATOM 0 HG3 GLN A 108 -1.024 25.943 21.940 1.00 15.00 H new ATOM 0 HE21 GLN A 108 -0.801 28.616 19.649 1.00 15.00 H new ATOM 0 HE22 GLN A 108 -1.594 29.810 20.682 1.00 15.00 H new ATOM 1100 N GLN A 109 3.862 25.882 20.811 1.00 15.00 N ATOM 1101 CA GLN A 109 5.319 25.929 20.898 1.00 15.00 C ATOM 1102 C GLN A 109 5.822 27.368 20.984 1.00 15.00 C ATOM 1103 O GLN A 109 5.178 28.298 20.499 1.00 15.00 O ATOM 1104 CB GLN A 109 5.932 25.250 19.671 1.00 15.00 C ATOM 1105 CG GLN A 109 5.555 23.766 19.668 1.00 15.00 C ATOM 1106 CD GLN A 109 6.082 23.080 18.409 1.00 15.00 C ATOM 1107 OE1 GLN A 109 6.413 23.741 17.424 1.00 15.00 O ATOM 1108 NE2 GLN A 109 6.182 21.779 18.385 1.00 15.00 N ATOM 0 H GLN A 109 3.478 26.248 19.940 1.00 15.00 H new ATOM 0 HA GLN A 109 5.620 25.404 21.804 1.00 15.00 H new ATOM 0 HB2 GLN A 109 5.574 25.729 18.760 1.00 15.00 H new ATOM 0 HB3 GLN A 109 7.016 25.361 19.684 1.00 15.00 H new ATOM 0 HG2 GLN A 109 5.965 23.279 20.553 1.00 15.00 H new ATOM 0 HG3 GLN A 109 4.471 23.660 19.720 1.00 15.00 H new ATOM 0 HE21 GLN A 109 5.908 21.231 19.201 1.00 15.00 H new ATOM 0 HE22 GLN A 109 6.534 21.310 17.551 1.00 15.00 H new ATOM 1117 N ILE A 110 6.956 27.535 21.656 1.00 15.00 N ATOM 1118 CA ILE A 110 7.619 28.831 21.756 1.00 15.00 C ATOM 1119 C ILE A 110 9.076 28.695 21.315 1.00 15.00 C ATOM 1120 O ILE A 110 9.740 27.716 21.653 1.00 15.00 O ATOM 1121 CB ILE A 110 7.539 29.340 23.201 1.00 15.00 C ATOM 1122 CG1 ILE A 110 6.069 29.480 23.602 1.00 15.00 C ATOM 1123 CG2 ILE A 110 8.232 30.701 23.327 1.00 15.00 C ATOM 1124 CD1 ILE A 110 5.965 29.799 25.095 1.00 15.00 C ATOM 0 H ILE A 110 7.439 26.781 22.144 1.00 15.00 H new ATOM 0 HA ILE A 110 7.121 29.550 21.105 1.00 15.00 H new ATOM 0 HB ILE A 110 8.040 28.629 23.857 1.00 15.00 H new ATOM 0 HG12 ILE A 110 5.598 30.271 23.019 1.00 15.00 H new ATOM 0 HG13 ILE A 110 5.533 28.557 23.380 1.00 15.00 H new ATOM 0 HG21 ILE A 110 8.167 31.049 24.358 1.00 15.00 H new ATOM 0 HG22 ILE A 110 9.280 30.604 23.043 1.00 15.00 H new ATOM 0 HG23 ILE A 110 7.743 31.420 22.670 1.00 15.00 H new ATOM 0 HD11 ILE A 110 4.916 29.897 25.374 1.00 15.00 H new ATOM 0 HD12 ILE A 110 6.420 28.994 25.672 1.00 15.00 H new ATOM 0 HD13 ILE A 110 6.485 30.734 25.304 1.00 15.00 H new ATOM 1136 N ILE A 111 9.572 29.683 20.574 1.00 15.00 N ATOM 1137 CA ILE A 111 10.962 29.665 20.121 1.00 15.00 C ATOM 1138 C ILE A 111 11.781 30.686 20.904 1.00 15.00 C ATOM 1139 O ILE A 111 11.348 31.819 21.114 1.00 15.00 O ATOM 1140 CB ILE A 111 11.048 29.977 18.621 1.00 15.00 C ATOM 1141 CG1 ILE A 111 10.168 29.001 17.836 1.00 15.00 C ATOM 1142 CG2 ILE A 111 12.498 29.829 18.149 1.00 15.00 C ATOM 1143 CD1 ILE A 111 10.123 29.420 16.365 1.00 15.00 C ATOM 0 H ILE A 111 9.038 30.500 20.276 1.00 15.00 H new ATOM 0 HA ILE A 111 11.365 28.667 20.295 1.00 15.00 H new ATOM 0 HB ILE A 111 10.705 30.997 18.451 1.00 15.00 H new ATOM 0 HG12 ILE A 111 10.562 27.989 17.924 1.00 15.00 H new ATOM 0 HG13 ILE A 111 9.161 28.988 18.252 1.00 15.00 H new ATOM 0 HG21 ILE A 111 12.558 30.051 17.083 1.00 15.00 H new ATOM 0 HG22 ILE A 111 13.133 30.523 18.700 1.00 15.00 H new ATOM 0 HG23 ILE A 111 12.836 28.808 18.327 1.00 15.00 H new ATOM 0 HD11 ILE A 111 9.496 28.724 15.807 1.00 15.00 H new ATOM 0 HD12 ILE A 111 9.709 30.425 16.285 1.00 15.00 H new ATOM 0 HD13 ILE A 111 11.132 29.410 15.953 1.00 15.00 H new ATOM 1155 N LEU A 112 12.966 30.268 21.336 1.00 15.00 N ATOM 1156 CA LEU A 112 13.875 31.144 22.065 1.00 15.00 C ATOM 1157 C LEU A 112 15.180 31.325 21.284 1.00 15.00 C ATOM 1158 O LEU A 112 16.061 30.466 21.368 1.00 15.00 O ATOM 1159 CB LEU A 112 14.188 30.535 23.433 1.00 15.00 C ATOM 1160 CG LEU A 112 12.936 30.578 24.309 1.00 15.00 C ATOM 1161 CD1 LEU A 112 13.054 29.534 25.421 1.00 15.00 C ATOM 1162 CD2 LEU A 112 12.796 31.970 24.930 1.00 15.00 C ATOM 0 H LEU A 112 13.321 29.322 21.193 1.00 15.00 H new ATOM 0 HA LEU A 112 13.397 32.115 22.193 1.00 15.00 H new ATOM 0 HB2 LEU A 112 14.527 29.506 23.316 1.00 15.00 H new ATOM 0 HB3 LEU A 112 14.998 31.085 23.911 1.00 15.00 H new ATOM 0 HG LEU A 112 12.059 30.361 23.699 1.00 15.00 H new ATOM 0 HD11 LEU A 112 12.161 29.565 26.045 1.00 15.00 H new ATOM 0 HD12 LEU A 112 13.154 28.542 24.980 1.00 15.00 H new ATOM 0 HD13 LEU A 112 13.931 29.750 26.031 1.00 15.00 H new ATOM 0 HD21 LEU A 112 11.903 32.002 25.555 1.00 15.00 H new ATOM 0 HD22 LEU A 112 13.673 32.186 25.539 1.00 15.00 H new ATOM 0 HD23 LEU A 112 12.711 32.715 24.139 1.00 15.00 H new ATOM 1174 N PRO A 113 15.309 32.362 20.485 1.00 15.00 N ATOM 1175 CA PRO A 113 16.593 32.655 19.787 1.00 15.00 C ATOM 1176 C PRO A 113 17.512 33.527 20.638 1.00 15.00 C ATOM 1177 O PRO A 113 17.125 34.614 21.067 1.00 15.00 O ATOM 1178 CB PRO A 113 16.145 33.395 18.528 1.00 15.00 C ATOM 1179 CG PRO A 113 14.898 34.115 18.921 1.00 15.00 C ATOM 1180 CD PRO A 113 14.280 33.348 20.094 1.00 15.00 C ATOM 0 HA PRO A 113 17.171 31.756 19.576 1.00 15.00 H new ATOM 0 HB2 PRO A 113 16.911 34.091 18.187 1.00 15.00 H new ATOM 0 HB3 PRO A 113 15.958 32.701 17.709 1.00 15.00 H new ATOM 0 HG2 PRO A 113 15.122 35.142 19.209 1.00 15.00 H new ATOM 0 HG3 PRO A 113 14.202 34.163 18.084 1.00 15.00 H new ATOM 0 HD2 PRO A 113 14.039 34.017 20.920 1.00 15.00 H new ATOM 0 HD3 PRO A 113 13.353 32.856 19.800 1.00 15.00 H new