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 -177:sc= 0.264 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.00341) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot -91:sc= -0.674! USER MOD Single : A 77 SER OG : rot -62:sc= -0.288 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= -0.105 X(o=-0.11,f=-0.17) USER MOD Single : A 83 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0569 USER MOD Single : A 89 SER OG : rot -68:sc= 1.21 USER MOD Single : A 91 ASN : amide:sc= -2.42! C(o=-2.4!,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= -2.23 K(o=-2.2,f=-4.7!) USER MOD Single : A 95 TYR OH : rot 122:sc= 0.201 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 149:sc= -0.118 (180deg=-0.967) USER MOD Single : A 102 MET CE :methyl 146:sc= -0.192 (180deg=-1.02) USER MOD Single : A 103 LYS NZ :NH3+ -168:sc=-0.00551 (180deg=-0.226) USER MOD Single : A 108 GLN : amide:sc= 0.326 K(o=0.33,f=-3.1!) USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 385 N LEU A 63 16.597 27.606 20.782 1.00 15.00 N ATOM 386 CA LEU A 63 16.081 26.641 21.752 1.00 15.00 C ATOM 387 C LEU A 63 14.563 26.531 21.657 1.00 15.00 C ATOM 388 O LEU A 63 13.860 27.540 21.640 1.00 15.00 O ATOM 389 CB LEU A 63 16.473 27.073 23.167 1.00 15.00 C ATOM 390 CG LEU A 63 16.079 25.985 24.167 1.00 15.00 C ATOM 391 CD1 LEU A 63 17.002 24.777 23.996 1.00 15.00 C ATOM 392 CD2 LEU A 63 16.212 26.530 25.590 1.00 15.00 C ATOM 0 HA LEU A 63 16.514 25.666 21.529 1.00 15.00 H new ATOM 0 HB2 LEU A 63 17.546 27.255 23.218 1.00 15.00 H new ATOM 0 HB3 LEU A 63 15.978 28.010 23.421 1.00 15.00 H new ATOM 0 HG LEU A 63 15.047 25.682 23.988 1.00 15.00 H new ATOM 0 HD11 LEU A 63 16.722 24.001 24.708 1.00 15.00 H new ATOM 0 HD12 LEU A 63 16.909 24.389 22.982 1.00 15.00 H new ATOM 0 HD13 LEU A 63 18.034 25.079 24.176 1.00 15.00 H new ATOM 0 HD21 LEU A 63 15.931 25.756 26.304 1.00 15.00 H new ATOM 0 HD22 LEU A 63 17.244 26.832 25.769 1.00 15.00 H new ATOM 0 HD23 LEU A 63 15.555 27.391 25.713 1.00 15.00 H new ATOM 404 N PHE A 64 14.065 25.301 21.571 1.00 15.00 N ATOM 405 CA PHE A 64 12.625 25.069 21.529 1.00 15.00 C ATOM 406 C PHE A 64 12.089 24.741 22.920 1.00 15.00 C ATOM 407 O PHE A 64 12.635 23.884 23.615 1.00 15.00 O ATOM 408 CB PHE A 64 12.311 23.907 20.585 1.00 15.00 C ATOM 409 CG PHE A 64 12.701 24.168 19.149 1.00 15.00 C ATOM 410 CD1 PHE A 64 11.826 24.855 18.299 1.00 15.00 C ATOM 411 CD2 PHE A 64 13.936 23.719 18.667 1.00 15.00 C ATOM 412 CE1 PHE A 64 12.185 25.093 16.968 1.00 15.00 C ATOM 413 CE2 PHE A 64 14.297 23.957 17.336 1.00 15.00 C ATOM 414 CZ PHE A 64 13.421 24.643 16.486 1.00 15.00 C ATOM 0 H PHE A 64 14.633 24.455 21.529 1.00 15.00 H new ATOM 0 HA PHE A 64 12.145 25.979 21.169 1.00 15.00 H new ATOM 0 HB2 PHE A 64 12.829 23.015 20.936 1.00 15.00 H new ATOM 0 HB3 PHE A 64 11.243 23.693 20.629 1.00 15.00 H new ATOM 0 HD1 PHE A 64 10.873 25.201 18.671 1.00 15.00 H new ATOM 0 HD2 PHE A 64 14.611 23.189 19.323 1.00 15.00 H new ATOM 0 HE1 PHE A 64 11.510 25.623 16.313 1.00 15.00 H new ATOM 0 HE2 PHE A 64 15.251 23.612 16.965 1.00 15.00 H new ATOM 0 HZ PHE A 64 13.698 24.825 15.458 1.00 15.00 H new ATOM 424 N TYR A 65 11.021 25.424 23.326 1.00 15.00 N ATOM 425 CA TYR A 65 10.359 25.117 24.593 1.00 15.00 C ATOM 426 C TYR A 65 8.878 24.849 24.341 1.00 15.00 C ATOM 427 O TYR A 65 8.267 25.488 23.487 1.00 15.00 O ATOM 428 CB TYR A 65 10.514 26.289 25.564 1.00 15.00 C ATOM 429 CG TYR A 65 10.184 25.928 26.994 1.00 15.00 C ATOM 430 CD1 TYR A 65 11.167 25.359 27.811 1.00 15.00 C ATOM 431 CD2 TYR A 65 8.900 26.160 27.503 1.00 15.00 C ATOM 432 CE1 TYR A 65 10.870 25.022 29.136 1.00 15.00 C ATOM 433 CE2 TYR A 65 8.602 25.824 28.829 1.00 15.00 C ATOM 434 CZ TYR A 65 9.588 25.254 29.646 1.00 15.00 C ATOM 435 OH TYR A 65 9.299 24.920 30.955 1.00 15.00 O ATOM 0 H TYR A 65 10.597 26.189 22.801 1.00 15.00 H new ATOM 0 HA TYR A 65 10.819 24.232 25.032 1.00 15.00 H new ATOM 0 HB2 TYR A 65 11.539 26.658 25.517 1.00 15.00 H new ATOM 0 HB3 TYR A 65 9.866 27.105 25.244 1.00 15.00 H new ATOM 0 HD1 TYR A 65 12.157 25.180 27.418 1.00 15.00 H new ATOM 0 HD2 TYR A 65 8.140 26.598 26.873 1.00 15.00 H new ATOM 0 HE1 TYR A 65 11.630 24.583 29.765 1.00 15.00 H new ATOM 0 HE2 TYR A 65 7.612 26.004 29.222 1.00 15.00 H new ATOM 0 HH TYR A 65 8.354 25.102 31.138 1.00 15.00 H new ATOM 445 N THR A 66 8.300 23.905 25.080 1.00 15.00 N ATOM 446 CA THR A 66 6.907 23.518 24.862 1.00 15.00 C ATOM 447 C THR A 66 6.043 23.872 26.069 1.00 15.00 C ATOM 448 O THR A 66 6.476 23.755 27.216 1.00 15.00 O ATOM 449 CB THR A 66 6.820 22.012 24.603 1.00 15.00 C ATOM 450 OG1 THR A 66 7.709 21.665 23.551 1.00 15.00 O ATOM 451 CG2 THR A 66 5.389 21.641 24.205 1.00 15.00 C ATOM 0 H THR A 66 8.770 23.397 25.830 1.00 15.00 H new ATOM 0 HA THR A 66 6.536 24.066 23.996 1.00 15.00 H new ATOM 0 HB THR A 66 7.094 21.470 25.508 1.00 15.00 H new ATOM 0 HG1 THR A 66 7.657 20.701 23.384 1.00 15.00 H new ATOM 0 HG21 THR A 66 5.329 20.568 24.021 1.00 15.00 H new ATOM 0 HG22 THR A 66 4.706 21.910 25.011 1.00 15.00 H new ATOM 0 HG23 THR A 66 5.112 22.181 23.299 1.00 15.00 H new ATOM 459 N LEU A 67 4.816 24.308 25.797 1.00 15.00 N ATOM 460 CA LEU A 67 3.875 24.652 26.855 1.00 15.00 C ATOM 461 C LEU A 67 3.145 23.409 27.354 1.00 15.00 C ATOM 462 O LEU A 67 2.538 22.681 26.571 1.00 15.00 O ATOM 463 CB LEU A 67 2.851 25.659 26.322 1.00 15.00 C ATOM 464 CG LEU A 67 3.537 26.997 26.034 1.00 15.00 C ATOM 465 CD1 LEU A 67 2.565 27.916 25.292 1.00 15.00 C ATOM 466 CD2 LEU A 67 3.948 27.655 27.354 1.00 15.00 C ATOM 0 H LEU A 67 4.452 24.431 24.852 1.00 15.00 H new ATOM 0 HA LEU A 67 4.431 25.089 27.684 1.00 15.00 H new ATOM 0 HB2 LEU A 67 2.389 25.274 25.413 1.00 15.00 H new ATOM 0 HB3 LEU A 67 2.053 25.799 27.051 1.00 15.00 H new ATOM 0 HG LEU A 67 4.422 26.827 25.421 1.00 15.00 H new ATOM 0 HD11 LEU A 67 3.051 28.869 25.086 1.00 15.00 H new ATOM 0 HD12 LEU A 67 2.268 27.449 24.353 1.00 15.00 H new ATOM 0 HD13 LEU A 67 1.682 28.085 25.908 1.00 15.00 H new ATOM 0 HD21 LEU A 67 4.436 28.608 27.149 1.00 15.00 H new ATOM 0 HD22 LEU A 67 3.063 27.825 27.967 1.00 15.00 H new ATOM 0 HD23 LEU A 67 4.638 27.001 27.887 1.00 15.00 H new ATOM 478 N LYS A 68 3.176 23.200 28.668 1.00 15.00 N ATOM 479 CA LYS A 68 2.537 22.036 29.276 1.00 15.00 C ATOM 480 C LYS A 68 1.554 22.471 30.358 1.00 15.00 C ATOM 481 O LYS A 68 1.786 23.449 31.068 1.00 15.00 O ATOM 482 CB LYS A 68 3.600 21.122 29.890 1.00 15.00 C ATOM 483 CG LYS A 68 2.944 19.828 30.375 1.00 15.00 C ATOM 484 CD LYS A 68 3.992 18.951 31.065 1.00 15.00 C ATOM 485 CE LYS A 68 3.378 17.594 31.409 1.00 15.00 C ATOM 486 NZ LYS A 68 3.399 16.719 30.202 1.00 15.00 N ATOM 0 H LYS A 68 3.637 23.822 29.332 1.00 15.00 H new ATOM 0 HA LYS A 68 1.993 21.495 28.502 1.00 15.00 H new ATOM 0 HB2 LYS A 68 4.371 20.897 29.153 1.00 15.00 H new ATOM 0 HB3 LYS A 68 4.092 21.626 30.722 1.00 15.00 H new ATOM 0 HG2 LYS A 68 2.133 20.056 31.067 1.00 15.00 H new ATOM 0 HG3 LYS A 68 2.504 19.293 29.533 1.00 15.00 H new ATOM 0 HD2 LYS A 68 4.855 18.816 30.413 1.00 15.00 H new ATOM 0 HD3 LYS A 68 4.350 19.440 31.971 1.00 15.00 H new ATOM 0 HE2 LYS A 68 3.935 17.126 32.220 1.00 15.00 H new ATOM 0 HE3 LYS A 68 2.354 17.724 31.759 1.00 15.00 H new ATOM 0 HZ1 LYS A 68 2.577 16.082 30.220 1.00 15.00 H new ATOM 0 HZ2 LYS A 68 3.362 17.308 29.346 1.00 15.00 H new ATOM 0 HZ3 LYS A 68 4.273 16.155 30.197 1.00 15.00 H new ATOM 500 N THR A 69 0.459 21.729 30.498 1.00 15.00 N ATOM 501 CA THR A 69 -0.574 22.072 31.474 1.00 15.00 C ATOM 502 C THR A 69 0.017 22.273 32.869 1.00 15.00 C ATOM 503 O THR A 69 0.839 21.480 33.328 1.00 15.00 O ATOM 504 CB THR A 69 -1.631 20.966 31.523 1.00 15.00 C ATOM 505 OG1 THR A 69 -2.612 21.294 32.497 1.00 15.00 O ATOM 506 CG2 THR A 69 -0.969 19.637 31.891 1.00 15.00 C ATOM 0 H THR A 69 0.263 20.890 29.952 1.00 15.00 H new ATOM 0 HA THR A 69 -1.031 23.010 31.159 1.00 15.00 H new ATOM 0 HB THR A 69 -2.104 20.873 30.545 1.00 15.00 H new ATOM 0 HG1 THR A 69 -3.291 20.588 32.529 1.00 15.00 H new ATOM 0 HG21 THR A 69 -1.724 18.852 31.925 1.00 15.00 H new ATOM 0 HG22 THR A 69 -0.217 19.385 31.143 1.00 15.00 H new ATOM 0 HG23 THR A 69 -0.493 19.726 32.868 1.00 15.00 H new ATOM 514 N GLY A 70 -0.410 23.344 33.534 1.00 15.00 N ATOM 515 CA GLY A 70 0.091 23.663 34.869 1.00 15.00 C ATOM 516 C GLY A 70 1.033 24.870 34.861 1.00 15.00 C ATOM 517 O GLY A 70 1.154 25.568 35.868 1.00 15.00 O ATOM 0 H GLY A 70 -1.099 24.003 33.172 1.00 15.00 H new ATOM 0 HA2 GLY A 70 -0.750 23.865 35.532 1.00 15.00 H new ATOM 0 HA3 GLY A 70 0.615 22.798 35.275 1.00 15.00 H new ATOM 521 N GLU A 71 1.699 25.120 33.734 1.00 15.00 N ATOM 522 CA GLU A 71 2.620 26.247 33.627 1.00 15.00 C ATOM 523 C GLU A 71 2.020 27.345 32.753 1.00 15.00 C ATOM 524 O GLU A 71 1.308 27.064 31.789 1.00 15.00 O ATOM 525 CB GLU A 71 3.943 25.781 33.019 1.00 15.00 C ATOM 526 CG GLU A 71 4.971 26.917 33.090 1.00 15.00 C ATOM 527 CD GLU A 71 6.289 26.541 32.406 1.00 15.00 C ATOM 528 OE1 GLU A 71 6.388 25.458 31.848 1.00 15.00 O ATOM 529 OE2 GLU A 71 7.196 27.356 32.453 1.00 15.00 O ATOM 0 H GLU A 71 1.617 24.559 32.886 1.00 15.00 H new ATOM 0 HA GLU A 71 2.797 26.645 34.626 1.00 15.00 H new ATOM 0 HB2 GLU A 71 4.314 24.908 33.556 1.00 15.00 H new ATOM 0 HB3 GLU A 71 3.792 25.478 31.983 1.00 15.00 H new ATOM 0 HG2 GLU A 71 4.559 27.809 32.618 1.00 15.00 H new ATOM 0 HG3 GLU A 71 5.163 27.168 34.133 1.00 15.00 H new ATOM 536 N THR A 72 2.313 28.597 33.097 1.00 15.00 N ATOM 537 CA THR A 72 1.824 29.735 32.321 1.00 15.00 C ATOM 538 C THR A 72 2.992 30.465 31.667 1.00 15.00 C ATOM 539 O THR A 72 4.141 30.321 32.085 1.00 15.00 O ATOM 540 CB THR A 72 1.060 30.707 33.227 1.00 15.00 C ATOM 541 OG1 THR A 72 1.951 31.249 34.191 1.00 15.00 O ATOM 542 CG2 THR A 72 -0.082 29.974 33.934 1.00 15.00 C ATOM 0 H THR A 72 2.884 28.849 33.904 1.00 15.00 H new ATOM 0 HA THR A 72 1.152 29.362 31.548 1.00 15.00 H new ATOM 0 HB THR A 72 0.642 31.512 32.622 1.00 15.00 H new ATOM 0 HG1 THR A 72 1.945 30.687 34.994 1.00 15.00 H new ATOM 0 HG21 THR A 72 -0.620 30.672 34.576 1.00 15.00 H new ATOM 0 HG22 THR A 72 -0.766 29.563 33.191 1.00 15.00 H new ATOM 0 HG23 THR A 72 0.325 29.164 34.539 1.00 15.00 H new ATOM 550 N VAL A 73 2.695 31.267 30.649 1.00 15.00 N ATOM 551 CA VAL A 73 3.742 31.981 29.922 1.00 15.00 C ATOM 552 C VAL A 73 4.548 32.856 30.882 1.00 15.00 C ATOM 553 O VAL A 73 5.779 32.867 30.841 1.00 15.00 O ATOM 554 CB VAL A 73 3.116 32.845 28.819 1.00 15.00 C ATOM 555 CG1 VAL A 73 4.211 33.553 28.014 1.00 15.00 C ATOM 556 CG2 VAL A 73 2.298 31.960 27.875 1.00 15.00 C ATOM 0 H VAL A 73 1.748 31.439 30.310 1.00 15.00 H new ATOM 0 HA VAL A 73 4.413 31.254 29.465 1.00 15.00 H new ATOM 0 HB VAL A 73 2.470 33.590 29.284 1.00 15.00 H new ATOM 0 HG11 VAL A 73 3.753 34.163 27.235 1.00 15.00 H new ATOM 0 HG12 VAL A 73 4.795 34.191 28.677 1.00 15.00 H new ATOM 0 HG13 VAL A 73 4.864 32.810 27.557 1.00 15.00 H new ATOM 0 HG21 VAL A 73 1.854 32.575 27.092 1.00 15.00 H new ATOM 0 HG22 VAL A 73 2.949 31.212 27.423 1.00 15.00 H new ATOM 0 HG23 VAL A 73 1.508 31.462 28.437 1.00 15.00 H new ATOM 566 N ALA A 74 3.851 33.561 31.767 1.00 15.00 N ATOM 567 CA ALA A 74 4.522 34.449 32.711 1.00 15.00 C ATOM 568 C ALA A 74 5.465 33.663 33.618 1.00 15.00 C ATOM 569 O ALA A 74 6.577 34.107 33.900 1.00 15.00 O ATOM 570 CB ALA A 74 3.486 35.196 33.555 1.00 15.00 C ATOM 0 H ALA A 74 2.835 33.536 31.851 1.00 15.00 H new ATOM 0 HA ALA A 74 5.111 35.171 32.145 1.00 15.00 H new ATOM 0 HB1 ALA A 74 3.996 35.856 34.257 1.00 15.00 H new ATOM 0 HB2 ALA A 74 2.843 35.787 32.903 1.00 15.00 H new ATOM 0 HB3 ALA A 74 2.880 34.478 34.108 1.00 15.00 H new ATOM 576 N ASP A 75 5.032 32.481 34.049 1.00 15.00 N ATOM 577 CA ASP A 75 5.845 31.671 34.951 1.00 15.00 C ATOM 578 C ASP A 75 7.175 31.311 34.296 1.00 15.00 C ATOM 579 O ASP A 75 8.236 31.431 34.910 1.00 15.00 O ATOM 580 CB ASP A 75 5.096 30.391 35.329 1.00 15.00 C ATOM 581 CG ASP A 75 3.843 30.714 36.143 1.00 15.00 C ATOM 582 OD1 ASP A 75 3.829 31.734 36.813 1.00 15.00 O ATOM 583 OD2 ASP A 75 2.911 29.928 36.087 1.00 15.00 O ATOM 0 H ASP A 75 4.136 32.067 33.793 1.00 15.00 H new ATOM 0 HA ASP A 75 6.041 32.253 35.851 1.00 15.00 H new ATOM 0 HB2 ASP A 75 4.818 29.847 34.426 1.00 15.00 H new ATOM 0 HB3 ASP A 75 5.751 29.738 35.906 1.00 15.00 H new ATOM 588 N LEU A 76 7.114 30.893 33.036 1.00 15.00 N ATOM 589 CA LEU A 76 8.324 30.520 32.312 1.00 15.00 C ATOM 590 C LEU A 76 9.282 31.704 32.235 1.00 15.00 C ATOM 591 O LEU A 76 10.483 31.562 32.452 1.00 15.00 O ATOM 592 CB LEU A 76 7.961 30.055 30.898 1.00 15.00 C ATOM 593 CG LEU A 76 9.214 29.550 30.176 1.00 15.00 C ATOM 594 CD1 LEU A 76 9.644 28.208 30.771 1.00 15.00 C ATOM 595 CD2 LEU A 76 8.900 29.366 28.690 1.00 15.00 C ATOM 0 H LEU A 76 6.251 30.805 32.500 1.00 15.00 H new ATOM 0 HA LEU A 76 8.814 29.705 32.845 1.00 15.00 H new ATOM 0 HB2 LEU A 76 7.215 29.262 30.947 1.00 15.00 H new ATOM 0 HB3 LEU A 76 7.515 30.878 30.339 1.00 15.00 H new ATOM 0 HG LEU A 76 10.019 30.275 30.296 1.00 15.00 H new ATOM 0 HD11 LEU A 76 10.536 27.851 30.256 1.00 15.00 H new ATOM 0 HD12 LEU A 76 9.863 28.334 31.831 1.00 15.00 H new ATOM 0 HD13 LEU A 76 8.840 27.482 30.650 1.00 15.00 H new ATOM 0 HD21 LEU A 76 9.789 29.007 28.172 1.00 15.00 H new ATOM 0 HD22 LEU A 76 8.095 28.640 28.575 1.00 15.00 H new ATOM 0 HD23 LEU A 76 8.592 30.320 28.262 1.00 15.00 H new ATOM 607 N SER A 77 8.736 32.881 31.950 1.00 15.00 N ATOM 608 CA SER A 77 9.555 34.081 31.824 1.00 15.00 C ATOM 609 C SER A 77 10.306 34.371 33.119 1.00 15.00 C ATOM 610 O SER A 77 11.470 34.769 33.090 1.00 15.00 O ATOM 611 CB SER A 77 8.668 35.275 31.469 1.00 15.00 C ATOM 612 OG SER A 77 9.490 36.378 31.114 1.00 15.00 O ATOM 0 H SER A 77 7.738 33.030 31.803 1.00 15.00 H new ATOM 0 HA SER A 77 10.285 33.914 31.032 1.00 15.00 H new ATOM 0 HB2 SER A 77 8.006 35.018 30.642 1.00 15.00 H new ATOM 0 HB3 SER A 77 8.034 35.537 32.316 1.00 15.00 H new ATOM 0 HG SER A 77 10.040 36.637 31.883 1.00 15.00 H new ATOM 618 N LYS A 78 9.630 34.186 34.247 1.00 15.00 N ATOM 619 CA LYS A 78 10.240 34.454 35.545 1.00 15.00 C ATOM 620 C LYS A 78 11.432 33.533 35.789 1.00 15.00 C ATOM 621 O LYS A 78 12.498 33.982 36.210 1.00 15.00 O ATOM 622 CB LYS A 78 9.201 34.256 36.653 1.00 15.00 C ATOM 623 CG LYS A 78 9.783 34.673 38.008 1.00 15.00 C ATOM 624 CD LYS A 78 9.843 36.200 38.097 1.00 15.00 C ATOM 625 CE LYS A 78 10.335 36.610 39.487 1.00 15.00 C ATOM 626 NZ LYS A 78 9.196 36.580 40.447 1.00 15.00 N ATOM 0 H LYS A 78 8.666 33.854 34.290 1.00 15.00 H new ATOM 0 HA LYS A 78 10.595 35.485 35.552 1.00 15.00 H new ATOM 0 HB2 LYS A 78 8.310 34.845 36.435 1.00 15.00 H new ATOM 0 HB3 LYS A 78 8.891 33.211 36.688 1.00 15.00 H new ATOM 0 HG2 LYS A 78 9.168 34.276 38.816 1.00 15.00 H new ATOM 0 HG3 LYS A 78 10.781 34.253 38.131 1.00 15.00 H new ATOM 0 HD2 LYS A 78 10.512 36.594 37.332 1.00 15.00 H new ATOM 0 HD3 LYS A 78 8.857 36.625 37.908 1.00 15.00 H new ATOM 0 HE2 LYS A 78 11.123 35.934 39.820 1.00 15.00 H new ATOM 0 HE3 LYS A 78 10.768 37.610 39.451 1.00 15.00 H new ATOM 0 HZ1 LYS A 78 9.531 36.859 41.391 1.00 15.00 H new ATOM 0 HZ2 LYS A 78 8.459 37.242 40.132 1.00 15.00 H new ATOM 0 HZ3 LYS A 78 8.803 35.618 40.489 1.00 15.00 H new ATOM 640 N SER A 79 11.245 32.246 35.518 1.00 15.00 N ATOM 641 CA SER A 79 12.304 31.267 35.744 1.00 15.00 C ATOM 642 C SER A 79 13.534 31.598 34.907 1.00 15.00 C ATOM 643 O SER A 79 14.666 31.513 35.383 1.00 15.00 O ATOM 644 CB SER A 79 11.804 29.867 35.386 1.00 15.00 C ATOM 645 OG SER A 79 12.776 28.909 35.781 1.00 15.00 O ATOM 0 H SER A 79 10.379 31.858 35.145 1.00 15.00 H new ATOM 0 HA SER A 79 12.580 31.298 36.798 1.00 15.00 H new ATOM 0 HB2 SER A 79 10.856 29.668 35.885 1.00 15.00 H new ATOM 0 HB3 SER A 79 11.621 29.796 34.314 1.00 15.00 H new ATOM 0 HG SER A 79 12.459 28.009 35.555 1.00 15.00 H new ATOM 651 N GLN A 80 13.301 31.976 33.655 1.00 15.00 N ATOM 652 CA GLN A 80 14.391 32.340 32.751 1.00 15.00 C ATOM 653 C GLN A 80 14.974 33.728 33.047 1.00 15.00 C ATOM 654 O GLN A 80 16.055 34.056 32.558 1.00 15.00 O ATOM 655 CB GLN A 80 13.891 32.302 31.303 1.00 15.00 C ATOM 656 CG GLN A 80 13.342 30.912 30.962 1.00 15.00 C ATOM 657 CD GLN A 80 14.418 29.842 31.144 1.00 15.00 C ATOM 658 OE1 GLN A 80 15.533 29.990 30.642 1.00 15.00 O ATOM 659 NE2 GLN A 80 14.148 28.770 31.837 1.00 15.00 N ATOM 0 H GLN A 80 12.371 32.039 33.242 1.00 15.00 H new ATOM 0 HA GLN A 80 15.188 31.613 32.905 1.00 15.00 H new ATOM 0 HB2 GLN A 80 13.113 33.052 31.161 1.00 15.00 H new ATOM 0 HB3 GLN A 80 14.705 32.555 30.624 1.00 15.00 H new ATOM 0 HG2 GLN A 80 12.488 30.687 31.601 1.00 15.00 H new ATOM 0 HG3 GLN A 80 12.982 30.901 29.933 1.00 15.00 H new ATOM 0 HE21 GLN A 80 13.224 28.650 32.252 1.00 15.00 H new ATOM 0 HE22 GLN A 80 14.861 28.052 31.964 1.00 15.00 H new ATOM 668 N ASP A 81 14.272 34.544 33.832 1.00 15.00 N ATOM 669 CA ASP A 81 14.728 35.901 34.123 1.00 15.00 C ATOM 670 C ASP A 81 14.781 36.730 32.841 1.00 15.00 C ATOM 671 O ASP A 81 15.723 37.490 32.608 1.00 15.00 O ATOM 672 CB ASP A 81 16.109 35.862 34.789 1.00 15.00 C ATOM 673 CG ASP A 81 16.436 37.217 35.411 1.00 15.00 C ATOM 674 OD1 ASP A 81 15.518 37.888 35.854 1.00 15.00 O ATOM 675 OD2 ASP A 81 17.605 37.564 35.437 1.00 15.00 O ATOM 0 H ASP A 81 13.389 34.290 34.276 1.00 15.00 H new ATOM 0 HA ASP A 81 14.021 36.368 34.809 1.00 15.00 H new ATOM 0 HB2 ASP A 81 16.128 35.088 35.556 1.00 15.00 H new ATOM 0 HB3 ASP A 81 16.868 35.600 34.052 1.00 15.00 H new ATOM 680 N ILE A 82 13.751 36.579 32.012 1.00 15.00 N ATOM 681 CA ILE A 82 13.654 37.327 30.760 1.00 15.00 C ATOM 682 C ILE A 82 12.450 38.262 30.815 1.00 15.00 C ATOM 683 O ILE A 82 11.426 37.931 31.411 1.00 15.00 O ATOM 684 CB ILE A 82 13.511 36.361 29.577 1.00 15.00 C ATOM 685 CG1 ILE A 82 14.694 35.387 29.560 1.00 15.00 C ATOM 686 CG2 ILE A 82 13.496 37.147 28.263 1.00 15.00 C ATOM 687 CD1 ILE A 82 14.466 34.320 28.487 1.00 15.00 C ATOM 0 H ILE A 82 12.971 35.945 32.184 1.00 15.00 H new ATOM 0 HA ILE A 82 14.562 37.915 30.625 1.00 15.00 H new ATOM 0 HB ILE A 82 12.578 35.808 29.684 1.00 15.00 H new ATOM 0 HG12 ILE A 82 15.619 35.927 29.359 1.00 15.00 H new ATOM 0 HG13 ILE A 82 14.805 34.917 30.537 1.00 15.00 H new ATOM 0 HG21 ILE A 82 13.394 36.456 27.427 1.00 15.00 H new ATOM 0 HG22 ILE A 82 12.656 37.841 28.264 1.00 15.00 H new ATOM 0 HG23 ILE A 82 14.427 37.704 28.162 1.00 15.00 H new ATOM 0 HD11 ILE A 82 15.309 33.628 28.477 1.00 15.00 H new ATOM 0 HD12 ILE A 82 13.550 33.772 28.707 1.00 15.00 H new ATOM 0 HD13 ILE A 82 14.377 34.798 27.512 1.00 15.00 H new ATOM 699 N ASN A 83 12.581 39.433 30.201 1.00 15.00 N ATOM 700 CA ASN A 83 11.496 40.408 30.205 1.00 15.00 C ATOM 701 C ASN A 83 10.386 39.981 29.250 1.00 15.00 C ATOM 702 O ASN A 83 10.646 39.562 28.120 1.00 15.00 O ATOM 703 CB ASN A 83 12.026 41.783 29.791 1.00 15.00 C ATOM 704 CG ASN A 83 13.042 42.288 30.812 1.00 15.00 C ATOM 705 OD1 ASN A 83 13.037 41.858 31.966 1.00 15.00 O ATOM 706 ND2 ASN A 83 13.920 43.184 30.454 1.00 15.00 N ATOM 0 H ASN A 83 13.418 39.728 29.699 1.00 15.00 H new ATOM 0 HA ASN A 83 11.089 40.464 31.215 1.00 15.00 H new ATOM 0 HB2 ASN A 83 12.490 41.720 28.807 1.00 15.00 H new ATOM 0 HB3 ASN A 83 11.200 42.489 29.710 1.00 15.00 H new ATOM 0 HD21 ASN A 83 14.602 43.528 31.130 1.00 15.00 H new ATOM 0 HD22 ASN A 83 13.924 43.540 29.498 1.00 15.00 H new ATOM 713 N LEU A 84 9.141 40.099 29.702 1.00 15.00 N ATOM 714 CA LEU A 84 8.002 39.721 28.873 1.00 15.00 C ATOM 715 C LEU A 84 8.014 40.488 27.552 1.00 15.00 C ATOM 716 O LEU A 84 7.690 39.931 26.503 1.00 15.00 O ATOM 717 CB LEU A 84 6.692 39.996 29.618 1.00 15.00 C ATOM 718 CG LEU A 84 6.658 39.207 30.931 1.00 15.00 C ATOM 719 CD1 LEU A 84 5.395 39.571 31.714 1.00 15.00 C ATOM 720 CD2 LEU A 84 6.644 37.705 30.631 1.00 15.00 C ATOM 0 H LEU A 84 8.897 40.450 30.628 1.00 15.00 H new ATOM 0 HA LEU A 84 8.077 38.655 28.658 1.00 15.00 H new ATOM 0 HB2 LEU A 84 6.598 41.062 29.823 1.00 15.00 H new ATOM 0 HB3 LEU A 84 5.844 39.715 28.994 1.00 15.00 H new ATOM 0 HG LEU A 84 7.542 39.455 31.519 1.00 15.00 H new ATOM 0 HD11 LEU A 84 5.371 39.009 32.648 1.00 15.00 H new ATOM 0 HD12 LEU A 84 5.398 40.639 31.933 1.00 15.00 H new ATOM 0 HD13 LEU A 84 4.515 39.324 31.120 1.00 15.00 H new ATOM 0 HD21 LEU A 84 6.620 37.147 31.567 1.00 15.00 H new ATOM 0 HD22 LEU A 84 5.762 37.460 30.040 1.00 15.00 H new ATOM 0 HD23 LEU A 84 7.541 37.437 30.072 1.00 15.00 H new ATOM 732 N SER A 85 8.410 41.757 27.599 1.00 15.00 N ATOM 733 CA SER A 85 8.464 42.570 26.390 1.00 15.00 C ATOM 734 C SER A 85 9.402 41.938 25.366 1.00 15.00 C ATOM 735 O SER A 85 9.084 41.861 24.180 1.00 15.00 O ATOM 736 CB SER A 85 8.951 43.980 26.729 1.00 15.00 C ATOM 737 OG SER A 85 8.820 44.807 25.581 1.00 15.00 O ATOM 0 H SER A 85 8.695 42.239 28.451 1.00 15.00 H new ATOM 0 HA SER A 85 7.462 42.626 25.965 1.00 15.00 H new ATOM 0 HB2 SER A 85 8.370 44.390 27.555 1.00 15.00 H new ATOM 0 HB3 SER A 85 9.991 43.950 27.054 1.00 15.00 H new ATOM 0 HG SER A 85 9.129 45.712 25.793 1.00 15.00 H new ATOM 743 N THR A 86 10.549 41.459 25.837 1.00 15.00 N ATOM 744 CA THR A 86 11.525 40.838 24.947 1.00 15.00 C ATOM 745 C THR A 86 10.928 39.608 24.269 1.00 15.00 C ATOM 746 O THR A 86 11.065 39.417 23.060 1.00 15.00 O ATOM 747 CB THR A 86 12.770 40.434 25.739 1.00 15.00 C ATOM 748 OG1 THR A 86 13.263 41.563 26.448 1.00 15.00 O ATOM 749 CG2 THR A 86 13.848 39.924 24.780 1.00 15.00 C ATOM 0 H THR A 86 10.824 41.488 26.819 1.00 15.00 H new ATOM 0 HA THR A 86 11.801 41.562 24.180 1.00 15.00 H new ATOM 0 HB THR A 86 12.511 39.643 26.443 1.00 15.00 H new ATOM 0 HG1 THR A 86 14.060 41.307 26.958 1.00 15.00 H new ATOM 0 HG21 THR A 86 14.733 39.637 25.347 1.00 15.00 H new ATOM 0 HG22 THR A 86 13.470 39.059 24.235 1.00 15.00 H new ATOM 0 HG23 THR A 86 14.109 40.712 24.074 1.00 15.00 H new ATOM 757 N ILE A 87 10.228 38.789 25.049 1.00 15.00 N ATOM 758 CA ILE A 87 9.639 37.564 24.519 1.00 15.00 C ATOM 759 C ILE A 87 8.696 37.895 23.365 1.00 15.00 C ATOM 760 O ILE A 87 8.726 37.248 22.319 1.00 15.00 O ATOM 761 CB ILE A 87 8.875 36.822 25.625 1.00 15.00 C ATOM 762 CG1 ILE A 87 9.822 36.521 26.790 1.00 15.00 C ATOM 763 CG2 ILE A 87 8.323 35.499 25.083 1.00 15.00 C ATOM 764 CD1 ILE A 87 9.027 35.942 27.963 1.00 15.00 C ATOM 0 H ILE A 87 10.056 38.949 26.042 1.00 15.00 H new ATOM 0 HA ILE A 87 10.438 36.920 24.151 1.00 15.00 H new ATOM 0 HB ILE A 87 8.052 37.450 25.966 1.00 15.00 H new ATOM 0 HG12 ILE A 87 10.590 35.815 26.474 1.00 15.00 H new ATOM 0 HG13 ILE A 87 10.335 37.432 27.100 1.00 15.00 H new ATOM 0 HG21 ILE A 87 7.783 34.979 25.874 1.00 15.00 H new ATOM 0 HG22 ILE A 87 7.646 35.700 24.253 1.00 15.00 H new ATOM 0 HG23 ILE A 87 9.147 34.876 24.736 1.00 15.00 H new ATOM 0 HD11 ILE A 87 9.703 35.729 28.791 1.00 15.00 H new ATOM 0 HD12 ILE A 87 8.276 36.663 28.285 1.00 15.00 H new ATOM 0 HD13 ILE A 87 8.535 35.021 27.650 1.00 15.00 H new ATOM 776 N TRP A 88 7.873 38.918 23.560 1.00 15.00 N ATOM 777 CA TRP A 88 6.933 39.332 22.525 1.00 15.00 C ATOM 778 C TRP A 88 7.661 39.730 21.243 1.00 15.00 C ATOM 779 O TRP A 88 7.319 39.265 20.157 1.00 15.00 O ATOM 780 CB TRP A 88 6.096 40.513 23.020 1.00 15.00 C ATOM 781 CG TRP A 88 5.069 40.967 22.033 1.00 15.00 C ATOM 782 CD1 TRP A 88 3.844 40.415 21.877 1.00 15.00 C ATOM 783 CD2 TRP A 88 5.156 42.053 21.064 1.00 15.00 C ATOM 784 NE1 TRP A 88 3.174 41.090 20.873 1.00 15.00 N ATOM 785 CE2 TRP A 88 3.939 42.109 20.341 1.00 15.00 C ATOM 786 CE3 TRP A 88 6.160 42.983 20.744 1.00 15.00 C ATOM 787 CZ2 TRP A 88 3.728 43.056 19.337 1.00 15.00 C ATOM 788 CZ3 TRP A 88 5.951 43.935 19.736 1.00 15.00 C ATOM 789 CH2 TRP A 88 4.739 43.974 19.034 1.00 15.00 C ATOM 0 H TRP A 88 7.837 39.472 24.416 1.00 15.00 H new ATOM 0 HA TRP A 88 6.283 38.485 22.306 1.00 15.00 H new ATOM 0 HB2 TRP A 88 5.598 40.232 23.948 1.00 15.00 H new ATOM 0 HB3 TRP A 88 6.759 41.346 23.253 1.00 15.00 H new ATOM 0 HD1 TRP A 88 3.453 39.583 22.444 1.00 15.00 H new ATOM 0 HE1 TRP A 88 2.229 40.863 20.563 1.00 15.00 H new ATOM 0 HE3 TRP A 88 7.099 42.964 21.278 1.00 15.00 H new ATOM 0 HZ2 TRP A 88 2.792 43.080 18.799 1.00 15.00 H new ATOM 0 HZ3 TRP A 88 6.730 44.644 19.499 1.00 15.00 H new ATOM 0 HH2 TRP A 88 4.586 44.712 18.260 1.00 15.00 H new ATOM 800 N SER A 89 8.693 40.559 21.372 1.00 15.00 N ATOM 801 CA SER A 89 9.398 41.068 20.201 1.00 15.00 C ATOM 802 C SER A 89 9.890 39.932 19.307 1.00 15.00 C ATOM 803 O SER A 89 9.835 40.034 18.081 1.00 15.00 O ATOM 804 CB SER A 89 10.591 41.918 20.643 1.00 15.00 C ATOM 805 OG SER A 89 11.561 41.078 21.253 1.00 15.00 O ATOM 0 H SER A 89 9.056 40.890 22.266 1.00 15.00 H new ATOM 0 HA SER A 89 8.698 41.676 19.628 1.00 15.00 H new ATOM 0 HB2 SER A 89 11.025 42.432 19.785 1.00 15.00 H new ATOM 0 HB3 SER A 89 10.266 42.687 21.344 1.00 15.00 H new ATOM 0 HG SER A 89 11.210 40.736 22.102 1.00 15.00 H new ATOM 811 N LEU A 90 10.369 38.854 19.921 1.00 15.00 N ATOM 812 CA LEU A 90 10.864 37.714 19.154 1.00 15.00 C ATOM 813 C LEU A 90 9.723 36.917 18.522 1.00 15.00 C ATOM 814 O LEU A 90 9.708 36.693 17.312 1.00 15.00 O ATOM 815 CB LEU A 90 11.684 36.795 20.064 1.00 15.00 C ATOM 816 CG LEU A 90 12.843 37.575 20.691 1.00 15.00 C ATOM 817 CD1 LEU A 90 13.586 36.675 21.680 1.00 15.00 C ATOM 818 CD2 LEU A 90 13.813 38.030 19.598 1.00 15.00 C ATOM 0 H LEU A 90 10.425 38.745 20.934 1.00 15.00 H new ATOM 0 HA LEU A 90 11.490 38.102 18.350 1.00 15.00 H new ATOM 0 HB2 LEU A 90 11.047 36.383 20.847 1.00 15.00 H new ATOM 0 HB3 LEU A 90 12.070 35.952 19.490 1.00 15.00 H new ATOM 0 HG LEU A 90 12.448 38.448 21.211 1.00 15.00 H new ATOM 0 HD11 LEU A 90 14.411 37.229 22.127 1.00 15.00 H new ATOM 0 HD12 LEU A 90 12.900 36.351 22.463 1.00 15.00 H new ATOM 0 HD13 LEU A 90 13.976 35.803 21.156 1.00 15.00 H new ATOM 0 HD21 LEU A 90 14.636 38.584 20.049 1.00 15.00 H new ATOM 0 HD22 LEU A 90 14.207 37.158 19.075 1.00 15.00 H new ATOM 0 HD23 LEU A 90 13.288 38.672 18.890 1.00 15.00 H new ATOM 830 N ASN A 91 8.752 36.514 19.336 1.00 15.00 N ATOM 831 CA ASN A 91 7.674 35.645 18.858 1.00 15.00 C ATOM 832 C ASN A 91 6.511 36.407 18.213 1.00 15.00 C ATOM 833 O ASN A 91 5.493 35.802 17.871 1.00 15.00 O ATOM 834 CB ASN A 91 7.140 34.805 20.020 1.00 15.00 C ATOM 835 CG ASN A 91 8.229 33.863 20.521 1.00 15.00 C ATOM 836 OD1 ASN A 91 8.118 32.645 20.378 1.00 15.00 O ATOM 837 ND2 ASN A 91 9.289 34.354 21.103 1.00 15.00 N ATOM 0 H ASN A 91 8.686 36.770 20.321 1.00 15.00 H new ATOM 0 HA ASN A 91 8.108 35.014 18.083 1.00 15.00 H new ATOM 0 HB2 ASN A 91 6.809 35.456 20.829 1.00 15.00 H new ATOM 0 HB3 ASN A 91 6.271 34.232 19.697 1.00 15.00 H new ATOM 0 HD21 ASN A 91 10.022 33.729 21.438 1.00 15.00 H new ATOM 0 HD22 ASN A 91 9.384 35.362 21.223 1.00 15.00 H new ATOM 844 N LYS A 92 6.642 37.721 18.038 1.00 15.00 N ATOM 845 CA LYS A 92 5.598 38.512 17.392 1.00 15.00 C ATOM 846 C LYS A 92 5.165 37.911 16.051 1.00 15.00 C ATOM 847 O LYS A 92 4.017 38.075 15.640 1.00 15.00 O ATOM 848 CB LYS A 92 6.084 39.958 17.215 1.00 15.00 C ATOM 849 CG LYS A 92 7.227 40.032 16.195 1.00 15.00 C ATOM 850 CD LYS A 92 7.773 41.461 16.140 1.00 15.00 C ATOM 851 CE LYS A 92 8.684 41.615 14.922 1.00 15.00 C ATOM 852 NZ LYS A 92 7.859 41.918 13.719 1.00 15.00 N ATOM 0 H LYS A 92 7.457 38.258 18.333 1.00 15.00 H new ATOM 0 HA LYS A 92 4.719 38.503 18.036 1.00 15.00 H new ATOM 0 HB2 LYS A 92 5.256 40.586 16.885 1.00 15.00 H new ATOM 0 HB3 LYS A 92 6.421 40.352 18.174 1.00 15.00 H new ATOM 0 HG2 LYS A 92 8.021 39.339 16.472 1.00 15.00 H new ATOM 0 HG3 LYS A 92 6.870 39.730 15.210 1.00 15.00 H new ATOM 0 HD2 LYS A 92 6.950 42.174 16.084 1.00 15.00 H new ATOM 0 HD3 LYS A 92 8.327 41.685 17.052 1.00 15.00 H new ATOM 0 HE2 LYS A 92 9.405 42.415 15.093 1.00 15.00 H new ATOM 0 HE3 LYS A 92 9.255 40.700 14.764 1.00 15.00 H new ATOM 0 HZ1 LYS A 92 8.479 42.023 12.890 1.00 15.00 H new ATOM 0 HZ2 LYS A 92 7.188 41.141 13.553 1.00 15.00 H new ATOM 0 HZ3 LYS A 92 7.333 42.802 13.872 1.00 15.00 H new ATOM 866 N HIS A 93 6.084 37.232 15.365 1.00 15.00 N ATOM 867 CA HIS A 93 5.758 36.625 14.079 1.00 15.00 C ATOM 868 C HIS A 93 4.934 35.347 14.260 1.00 15.00 C ATOM 869 O HIS A 93 4.042 35.060 13.461 1.00 15.00 O ATOM 870 CB HIS A 93 7.039 36.344 13.281 1.00 15.00 C ATOM 871 CG HIS A 93 7.854 35.168 13.761 1.00 15.00 C ATOM 872 ND1 HIS A 93 8.756 35.259 14.811 1.00 15.00 N ATOM 873 CD2 HIS A 93 7.925 33.869 13.320 1.00 15.00 C ATOM 874 CE1 HIS A 93 9.327 34.050 14.960 1.00 15.00 C ATOM 875 NE2 HIS A 93 8.856 33.166 14.079 1.00 15.00 N ATOM 0 H HIS A 93 7.046 37.091 15.674 1.00 15.00 H new ATOM 0 HA HIS A 93 5.148 37.331 13.516 1.00 15.00 H new ATOM 0 HB2 HIS A 93 6.768 36.176 12.239 1.00 15.00 H new ATOM 0 HB3 HIS A 93 7.667 37.235 13.308 1.00 15.00 H new ATOM 0 HD1 HIS A 93 8.951 36.091 15.368 1.00 15.00 H new ATOM 0 HD2 HIS A 93 7.346 33.456 12.507 1.00 15.00 H new ATOM 0 HE1 HIS A 93 10.077 33.823 15.703 1.00 15.00 H new ATOM 883 N LEU A 94 5.233 34.585 15.310 1.00 15.00 N ATOM 884 CA LEU A 94 4.523 33.333 15.560 1.00 15.00 C ATOM 885 C LEU A 94 3.059 33.587 15.907 1.00 15.00 C ATOM 886 O LEU A 94 2.172 32.861 15.457 1.00 15.00 O ATOM 887 CB LEU A 94 5.186 32.572 16.711 1.00 15.00 C ATOM 888 CG LEU A 94 6.655 32.300 16.385 1.00 15.00 C ATOM 889 CD1 LEU A 94 7.324 31.625 17.585 1.00 15.00 C ATOM 890 CD2 LEU A 94 6.755 31.373 15.168 1.00 15.00 C ATOM 0 H LEU A 94 5.955 34.809 15.995 1.00 15.00 H new ATOM 0 HA LEU A 94 4.569 32.739 14.647 1.00 15.00 H new ATOM 0 HB2 LEU A 94 5.111 33.152 17.631 1.00 15.00 H new ATOM 0 HB3 LEU A 94 4.664 31.631 16.884 1.00 15.00 H new ATOM 0 HG LEU A 94 7.154 33.244 16.164 1.00 15.00 H new ATOM 0 HD11 LEU A 94 8.372 31.430 17.355 1.00 15.00 H new ATOM 0 HD12 LEU A 94 7.259 32.280 18.454 1.00 15.00 H new ATOM 0 HD13 LEU A 94 6.819 30.684 17.801 1.00 15.00 H new ATOM 0 HD21 LEU A 94 7.804 31.183 14.941 1.00 15.00 H new ATOM 0 HD22 LEU A 94 6.254 30.430 15.387 1.00 15.00 H new ATOM 0 HD23 LEU A 94 6.278 31.846 14.310 1.00 15.00 H new ATOM 902 N TYR A 95 2.810 34.620 16.708 1.00 15.00 N ATOM 903 CA TYR A 95 1.448 34.942 17.133 1.00 15.00 C ATOM 904 C TYR A 95 0.971 36.242 16.494 1.00 15.00 C ATOM 905 O TYR A 95 1.762 37.152 16.247 1.00 15.00 O ATOM 906 CB TYR A 95 1.401 35.071 18.656 1.00 15.00 C ATOM 907 CG TYR A 95 1.791 33.802 19.378 1.00 15.00 C ATOM 908 CD1 TYR A 95 0.851 32.778 19.545 1.00 15.00 C ATOM 909 CD2 TYR A 95 3.089 33.648 19.879 1.00 15.00 C ATOM 910 CE1 TYR A 95 1.209 31.600 20.213 1.00 15.00 C ATOM 911 CE2 TYR A 95 3.446 32.471 20.549 1.00 15.00 C ATOM 912 CZ TYR A 95 2.506 31.447 20.716 1.00 15.00 C ATOM 913 OH TYR A 95 2.855 30.288 21.379 1.00 15.00 O ATOM 0 H TYR A 95 3.527 35.246 17.075 1.00 15.00 H new ATOM 0 HA TYR A 95 0.788 34.137 16.811 1.00 15.00 H new ATOM 0 HB2 TYR A 95 2.067 35.876 18.966 1.00 15.00 H new ATOM 0 HB3 TYR A 95 0.394 35.357 18.958 1.00 15.00 H new ATOM 0 HD1 TYR A 95 -0.151 32.896 19.159 1.00 15.00 H new ATOM 0 HD2 TYR A 95 3.815 34.437 19.749 1.00 15.00 H new ATOM 0 HE1 TYR A 95 0.484 30.810 20.340 1.00 15.00 H new ATOM 0 HE2 TYR A 95 4.447 32.353 20.937 1.00 15.00 H new ATOM 0 HH TYR A 95 3.616 29.869 20.926 1.00 15.00 H new ATOM 923 N SER A 96 -0.329 36.320 16.235 1.00 15.00 N ATOM 924 CA SER A 96 -0.901 37.479 15.558 1.00 15.00 C ATOM 925 C SER A 96 -0.904 38.710 16.460 1.00 15.00 C ATOM 926 O SER A 96 -0.610 39.816 16.008 1.00 15.00 O ATOM 927 CB SER A 96 -2.332 37.167 15.118 1.00 15.00 C ATOM 928 OG SER A 96 -2.330 35.987 14.326 1.00 15.00 O ATOM 0 H SER A 96 -1.005 35.598 16.482 1.00 15.00 H new ATOM 0 HA SER A 96 -0.282 37.697 14.688 1.00 15.00 H new ATOM 0 HB2 SER A 96 -2.972 37.033 15.990 1.00 15.00 H new ATOM 0 HB3 SER A 96 -2.740 38.002 14.548 1.00 15.00 H new ATOM 0 HG SER A 96 -3.245 35.782 14.043 1.00 15.00 H new ATOM 934 N SER A 97 -1.239 38.516 17.733 1.00 15.00 N ATOM 935 CA SER A 97 -1.358 39.640 18.655 1.00 15.00 C ATOM 936 C SER A 97 -1.067 39.215 20.090 1.00 15.00 C ATOM 937 O SER A 97 -0.952 38.027 20.390 1.00 15.00 O ATOM 938 CB SER A 97 -2.768 40.228 18.576 1.00 15.00 C ATOM 939 OG SER A 97 -3.689 39.309 19.148 1.00 15.00 O ATOM 0 H SER A 97 -1.431 37.603 18.145 1.00 15.00 H new ATOM 0 HA SER A 97 -0.624 40.392 18.364 1.00 15.00 H new ATOM 0 HB2 SER A 97 -2.809 41.180 19.106 1.00 15.00 H new ATOM 0 HB3 SER A 97 -3.034 40.429 17.538 1.00 15.00 H new ATOM 0 HG SER A 97 -4.594 39.681 19.102 1.00 15.00 H new ATOM 945 N GLU A 98 -0.947 40.203 20.973 1.00 15.00 N ATOM 946 CA GLU A 98 -0.665 39.941 22.381 1.00 15.00 C ATOM 947 C GLU A 98 -1.772 39.111 23.029 1.00 15.00 C ATOM 948 O GLU A 98 -1.505 38.278 23.893 1.00 15.00 O ATOM 949 CB GLU A 98 -0.524 41.265 23.135 1.00 15.00 C ATOM 950 CG GLU A 98 0.680 42.042 22.594 1.00 15.00 C ATOM 951 CD GLU A 98 0.913 43.343 23.370 1.00 15.00 C ATOM 952 OE1 GLU A 98 0.063 43.727 24.161 1.00 15.00 O ATOM 953 OE2 GLU A 98 1.954 43.944 23.158 1.00 15.00 O ATOM 0 H GLU A 98 -1.041 41.191 20.738 1.00 15.00 H new ATOM 0 HA GLU A 98 0.265 39.376 22.435 1.00 15.00 H new ATOM 0 HB2 GLU A 98 -1.432 41.857 23.022 1.00 15.00 H new ATOM 0 HB3 GLU A 98 -0.398 41.076 24.201 1.00 15.00 H new ATOM 0 HG2 GLU A 98 1.572 41.418 22.654 1.00 15.00 H new ATOM 0 HG3 GLU A 98 0.521 42.271 21.540 1.00 15.00 H new ATOM 960 N SER A 99 -3.016 39.336 22.611 1.00 15.00 N ATOM 961 CA SER A 99 -4.148 38.638 23.212 1.00 15.00 C ATOM 962 C SER A 99 -3.965 37.126 23.128 1.00 15.00 C ATOM 963 O SER A 99 -4.193 36.407 24.101 1.00 15.00 O ATOM 964 CB SER A 99 -5.442 39.035 22.499 1.00 15.00 C ATOM 965 OG SER A 99 -6.550 38.503 23.212 1.00 15.00 O ATOM 0 H SER A 99 -3.263 39.989 21.867 1.00 15.00 H new ATOM 0 HA SER A 99 -4.204 38.923 24.262 1.00 15.00 H new ATOM 0 HB2 SER A 99 -5.520 40.121 22.439 1.00 15.00 H new ATOM 0 HB3 SER A 99 -5.438 38.659 21.476 1.00 15.00 H new ATOM 0 HG SER A 99 -7.382 38.756 22.760 1.00 15.00 H new ATOM 971 N GLU A 100 -3.511 36.650 21.973 1.00 15.00 N ATOM 972 CA GLU A 100 -3.316 35.217 21.778 1.00 15.00 C ATOM 973 C GLU A 100 -2.275 34.660 22.748 1.00 15.00 C ATOM 974 O GLU A 100 -2.402 33.526 23.211 1.00 15.00 O ATOM 975 CB GLU A 100 -2.900 34.940 20.332 1.00 15.00 C ATOM 976 CG GLU A 100 -4.062 35.301 19.401 1.00 15.00 C ATOM 977 CD GLU A 100 -3.741 34.981 17.939 1.00 15.00 C ATOM 978 OE1 GLU A 100 -2.581 34.770 17.617 1.00 15.00 O ATOM 979 OE2 GLU A 100 -4.669 34.981 17.147 1.00 15.00 O ATOM 0 H GLU A 100 -3.274 37.227 21.166 1.00 15.00 H new ATOM 0 HA GLU A 100 -4.261 34.714 21.982 1.00 15.00 H new ATOM 0 HB2 GLU A 100 -2.017 35.525 20.076 1.00 15.00 H new ATOM 0 HB3 GLU A 100 -2.633 33.890 20.212 1.00 15.00 H new ATOM 0 HG2 GLU A 100 -4.954 34.754 19.705 1.00 15.00 H new ATOM 0 HG3 GLU A 100 -4.290 36.362 19.499 1.00 15.00 H new ATOM 986 N MET A 101 -1.250 35.451 23.055 1.00 15.00 N ATOM 987 CA MET A 101 -0.227 35.017 24.001 1.00 15.00 C ATOM 988 C MET A 101 -0.816 34.850 25.400 1.00 15.00 C ATOM 989 O MET A 101 -0.617 33.824 26.050 1.00 15.00 O ATOM 990 CB MET A 101 0.913 36.038 24.049 1.00 15.00 C ATOM 991 CG MET A 101 1.622 36.082 22.694 1.00 15.00 C ATOM 992 SD MET A 101 3.097 37.123 22.818 1.00 15.00 S ATOM 993 CE MET A 101 4.108 35.982 23.796 1.00 15.00 C ATOM 0 H MET A 101 -1.107 36.384 22.668 1.00 15.00 H new ATOM 0 HA MET A 101 0.158 34.055 23.664 1.00 15.00 H new ATOM 0 HB2 MET A 101 0.521 37.024 24.297 1.00 15.00 H new ATOM 0 HB3 MET A 101 1.622 35.770 24.833 1.00 15.00 H new ATOM 0 HG2 MET A 101 1.900 35.075 22.384 1.00 15.00 H new ATOM 0 HG3 MET A 101 0.949 36.476 21.932 1.00 15.00 H new ATOM 0 HE1 MET A 101 5.160 36.122 23.546 1.00 15.00 H new ATOM 0 HE2 MET A 101 3.958 36.181 24.857 1.00 15.00 H new ATOM 0 HE3 MET A 101 3.816 34.956 23.574 1.00 15.00 H new ATOM 1003 N MET A 102 -1.593 35.835 25.837 1.00 15.00 N ATOM 1004 CA MET A 102 -2.184 35.796 27.172 1.00 15.00 C ATOM 1005 C MET A 102 -3.079 34.570 27.349 1.00 15.00 C ATOM 1006 O MET A 102 -3.119 33.970 28.422 1.00 15.00 O ATOM 1007 CB MET A 102 -3.006 37.063 27.412 1.00 15.00 C ATOM 1008 CG MET A 102 -2.085 38.284 27.386 1.00 15.00 C ATOM 1009 SD MET A 102 -3.014 39.753 27.889 1.00 15.00 S ATOM 1010 CE MET A 102 -3.147 39.346 29.647 1.00 15.00 C ATOM 0 H MET A 102 -1.828 36.665 25.292 1.00 15.00 H new ATOM 0 HA MET A 102 -1.372 35.736 27.897 1.00 15.00 H new ATOM 0 HB2 MET A 102 -3.776 37.159 26.647 1.00 15.00 H new ATOM 0 HB3 MET A 102 -3.517 37.001 28.373 1.00 15.00 H new ATOM 0 HG2 MET A 102 -1.239 38.129 28.056 1.00 15.00 H new ATOM 0 HG3 MET A 102 -1.677 38.424 26.385 1.00 15.00 H new ATOM 0 HE1 MET A 102 -3.114 40.262 30.236 1.00 15.00 H new ATOM 0 HE2 MET A 102 -4.090 38.831 29.831 1.00 15.00 H new ATOM 0 HE3 MET A 102 -2.318 38.699 29.935 1.00 15.00 H new ATOM 1020 N LYS A 103 -3.795 34.204 26.291 1.00 15.00 N ATOM 1021 CA LYS A 103 -4.712 33.065 26.344 1.00 15.00 C ATOM 1022 C LYS A 103 -4.043 31.749 25.924 1.00 15.00 C ATOM 1023 O LYS A 103 -4.735 30.777 25.626 1.00 15.00 O ATOM 1024 CB LYS A 103 -5.913 33.319 25.429 1.00 15.00 C ATOM 1025 CG LYS A 103 -6.607 34.634 25.805 1.00 15.00 C ATOM 1026 CD LYS A 103 -7.180 34.535 27.220 1.00 15.00 C ATOM 1027 CE LYS A 103 -8.040 35.767 27.508 1.00 15.00 C ATOM 1028 NZ LYS A 103 -7.177 36.982 27.530 1.00 15.00 N ATOM 0 H LYS A 103 -3.760 34.676 25.388 1.00 15.00 H new ATOM 0 HA LYS A 103 -5.030 32.966 27.382 1.00 15.00 H new ATOM 0 HB2 LYS A 103 -5.584 33.359 24.390 1.00 15.00 H new ATOM 0 HB3 LYS A 103 -6.619 32.493 25.509 1.00 15.00 H new ATOM 0 HG2 LYS A 103 -5.897 35.459 25.748 1.00 15.00 H new ATOM 0 HG3 LYS A 103 -7.405 34.850 25.095 1.00 15.00 H new ATOM 0 HD2 LYS A 103 -7.778 33.629 27.319 1.00 15.00 H new ATOM 0 HD3 LYS A 103 -6.371 34.464 27.947 1.00 15.00 H new ATOM 0 HE2 LYS A 103 -8.813 35.870 26.746 1.00 15.00 H new ATOM 0 HE3 LYS A 103 -8.549 35.652 28.465 1.00 15.00 H new ATOM 0 HZ1 LYS A 103 -7.714 37.782 27.922 1.00 15.00 H new ATOM 0 HZ2 LYS A 103 -6.341 36.803 28.122 1.00 15.00 H new ATOM 0 HZ3 LYS A 103 -6.873 37.210 26.562 1.00 15.00 H new ATOM 1042 N ALA A 104 -2.709 31.706 25.895 1.00 15.00 N ATOM 1043 CA ALA A 104 -1.994 30.500 25.485 1.00 15.00 C ATOM 1044 C ALA A 104 -2.454 29.283 26.283 1.00 15.00 C ATOM 1045 O ALA A 104 -2.757 29.381 27.473 1.00 15.00 O ATOM 1046 CB ALA A 104 -0.489 30.698 25.681 1.00 15.00 C ATOM 0 H ALA A 104 -2.107 32.489 26.149 1.00 15.00 H new ATOM 0 HA ALA A 104 -2.212 30.322 24.432 1.00 15.00 H new ATOM 0 HB1 ALA A 104 0.040 29.796 25.374 1.00 15.00 H new ATOM 0 HB2 ALA A 104 -0.151 31.540 25.077 1.00 15.00 H new ATOM 0 HB3 ALA A 104 -0.282 30.899 26.732 1.00 15.00 H new ATOM 1052 N ALA A 105 -2.497 28.136 25.612 1.00 15.00 N ATOM 1053 CA ALA A 105 -2.930 26.893 26.242 1.00 15.00 C ATOM 1054 C ALA A 105 -1.922 25.771 25.969 1.00 15.00 C ATOM 1055 O ALA A 105 -1.052 25.926 25.110 1.00 15.00 O ATOM 1056 CB ALA A 105 -4.304 26.489 25.701 1.00 15.00 C ATOM 0 H ALA A 105 -2.237 28.041 24.630 1.00 15.00 H new ATOM 0 HA ALA A 105 -2.994 27.054 27.318 1.00 15.00 H new ATOM 0 HB1 ALA A 105 -4.623 25.560 26.174 1.00 15.00 H new ATOM 0 HB2 ALA A 105 -5.027 27.275 25.920 1.00 15.00 H new ATOM 0 HB3 ALA A 105 -4.242 26.344 24.623 1.00 15.00 H new ATOM 1062 N PRO A 106 -2.007 24.657 26.666 1.00 15.00 N ATOM 1063 CA PRO A 106 -1.048 23.527 26.458 1.00 15.00 C ATOM 1064 C PRO A 106 -1.038 23.028 25.015 1.00 15.00 C ATOM 1065 O PRO A 106 -2.066 23.038 24.336 1.00 15.00 O ATOM 1066 CB PRO A 106 -1.530 22.426 27.408 1.00 15.00 C ATOM 1067 CG PRO A 106 -2.367 23.118 28.428 1.00 15.00 C ATOM 1068 CD PRO A 106 -2.987 24.320 27.721 1.00 15.00 C ATOM 0 HA PRO A 106 -0.024 23.841 26.659 1.00 15.00 H new ATOM 0 HB2 PRO A 106 -2.107 21.671 26.873 1.00 15.00 H new ATOM 0 HB3 PRO A 106 -0.688 21.913 27.873 1.00 15.00 H new ATOM 0 HG2 PRO A 106 -3.139 22.453 28.815 1.00 15.00 H new ATOM 0 HG3 PRO A 106 -1.763 23.435 29.278 1.00 15.00 H new ATOM 0 HD2 PRO A 106 -3.961 24.076 27.298 1.00 15.00 H new ATOM 0 HD3 PRO A 106 -3.137 25.153 28.407 1.00 15.00 H new ATOM 1076 N GLY A 107 0.132 22.594 24.551 1.00 15.00 N ATOM 1077 CA GLY A 107 0.266 22.060 23.198 1.00 15.00 C ATOM 1078 C GLY A 107 0.937 23.037 22.226 1.00 15.00 C ATOM 1079 O GLY A 107 1.391 22.623 21.159 1.00 15.00 O ATOM 0 H GLY A 107 0.998 22.602 25.090 1.00 15.00 H new ATOM 0 HA2 GLY A 107 0.846 21.138 23.234 1.00 15.00 H new ATOM 0 HA3 GLY A 107 -0.722 21.800 22.818 1.00 15.00 H new ATOM 1083 N GLN A 108 1.004 24.322 22.579 1.00 15.00 N ATOM 1084 CA GLN A 108 1.608 25.313 21.694 1.00 15.00 C ATOM 1085 C GLN A 108 3.114 25.394 21.912 1.00 15.00 C ATOM 1086 O GLN A 108 3.620 25.024 22.971 1.00 15.00 O ATOM 1087 CB GLN A 108 0.967 26.685 21.911 1.00 15.00 C ATOM 1088 CG GLN A 108 -0.497 26.629 21.469 1.00 15.00 C ATOM 1089 CD GLN A 108 -1.138 28.005 21.604 1.00 15.00 C ATOM 1090 OE1 GLN A 108 -1.574 28.378 22.692 1.00 15.00 O ATOM 1091 NE2 GLN A 108 -1.222 28.783 20.560 1.00 15.00 N ATOM 0 H GLN A 108 0.652 24.695 23.460 1.00 15.00 H new ATOM 0 HA GLN A 108 1.429 25.000 20.665 1.00 15.00 H new ATOM 0 HB2 GLN A 108 1.032 26.969 22.961 1.00 15.00 H new ATOM 0 HB3 GLN A 108 1.503 27.445 21.342 1.00 15.00 H new ATOM 0 HG2 GLN A 108 -0.560 26.290 20.435 1.00 15.00 H new ATOM 0 HG3 GLN A 108 -1.041 25.905 22.076 1.00 15.00 H new ATOM 0 HE21 GLN A 108 -0.859 28.469 19.660 1.00 15.00 H new ATOM 0 HE22 GLN A 108 -1.651 29.705 20.644 1.00 15.00 H new ATOM 1100 N GLN A 109 3.827 25.875 20.897 1.00 15.00 N ATOM 1101 CA GLN A 109 5.284 25.956 20.962 1.00 15.00 C ATOM 1102 C GLN A 109 5.751 27.402 21.100 1.00 15.00 C ATOM 1103 O GLN A 109 5.101 28.333 20.620 1.00 15.00 O ATOM 1104 CB GLN A 109 5.892 25.348 19.696 1.00 15.00 C ATOM 1105 CG GLN A 109 5.553 23.855 19.633 1.00 15.00 C ATOM 1106 CD GLN A 109 6.076 23.241 18.335 1.00 15.00 C ATOM 1107 OE1 GLN A 109 6.368 23.955 17.374 1.00 15.00 O ATOM 1108 NE2 GLN A 109 6.210 21.947 18.249 1.00 15.00 N ATOM 0 H GLN A 109 3.423 26.213 20.024 1.00 15.00 H new ATOM 0 HA GLN A 109 5.614 25.400 21.839 1.00 15.00 H new ATOM 0 HB2 GLN A 109 5.505 25.857 18.813 1.00 15.00 H new ATOM 0 HB3 GLN A 109 6.973 25.487 19.696 1.00 15.00 H new ATOM 0 HG2 GLN A 109 5.991 23.340 20.488 1.00 15.00 H new ATOM 0 HG3 GLN A 109 4.474 23.718 19.698 1.00 15.00 H new ATOM 0 HE21 GLN A 109 5.969 21.355 19.044 1.00 15.00 H new ATOM 0 HE22 GLN A 109 6.556 21.526 17.387 1.00 15.00 H new ATOM 1117 N ILE A 110 6.863 27.575 21.805 1.00 15.00 N ATOM 1118 CA ILE A 110 7.495 28.881 21.956 1.00 15.00 C ATOM 1119 C ILE A 110 8.954 28.790 21.513 1.00 15.00 C ATOM 1120 O ILE A 110 9.647 27.828 21.843 1.00 15.00 O ATOM 1121 CB ILE A 110 7.407 29.330 23.421 1.00 15.00 C ATOM 1122 CG1 ILE A 110 5.934 29.417 23.829 1.00 15.00 C ATOM 1123 CG2 ILE A 110 8.067 30.702 23.597 1.00 15.00 C ATOM 1124 CD1 ILE A 110 5.824 29.650 25.339 1.00 15.00 C ATOM 0 H ILE A 110 7.350 26.819 22.286 1.00 15.00 H new ATOM 0 HA ILE A 110 6.981 29.614 21.335 1.00 15.00 H new ATOM 0 HB ILE A 110 7.927 28.607 24.049 1.00 15.00 H new ATOM 0 HG12 ILE A 110 5.446 30.229 23.290 1.00 15.00 H new ATOM 0 HG13 ILE A 110 5.417 28.497 23.556 1.00 15.00 H new ATOM 0 HG21 ILE A 110 7.997 31.008 24.641 1.00 15.00 H new ATOM 0 HG22 ILE A 110 9.116 30.641 23.306 1.00 15.00 H new ATOM 0 HG23 ILE A 110 7.558 31.434 22.970 1.00 15.00 H new ATOM 0 HD11 ILE A 110 4.773 29.711 25.622 1.00 15.00 H new ATOM 0 HD12 ILE A 110 6.296 28.823 25.870 1.00 15.00 H new ATOM 0 HD13 ILE A 110 6.325 30.582 25.601 1.00 15.00 H new ATOM 1136 N ILE A 111 9.419 29.791 20.770 1.00 15.00 N ATOM 1137 CA ILE A 111 10.799 29.795 20.288 1.00 15.00 C ATOM 1138 C ILE A 111 11.627 30.818 21.060 1.00 15.00 C ATOM 1139 O ILE A 111 11.185 31.942 21.298 1.00 15.00 O ATOM 1140 CB ILE A 111 10.847 30.119 18.789 1.00 15.00 C ATOM 1141 CG1 ILE A 111 9.963 29.135 18.016 1.00 15.00 C ATOM 1142 CG2 ILE A 111 12.288 29.993 18.281 1.00 15.00 C ATOM 1143 CD1 ILE A 111 9.879 29.562 16.550 1.00 15.00 C ATOM 0 H ILE A 111 8.868 30.602 20.490 1.00 15.00 H new ATOM 0 HA ILE A 111 11.217 28.801 20.448 1.00 15.00 H new ATOM 0 HB ILE A 111 10.486 31.136 18.636 1.00 15.00 H new ATOM 0 HG12 ILE A 111 10.373 28.128 18.089 1.00 15.00 H new ATOM 0 HG13 ILE A 111 8.965 29.105 18.454 1.00 15.00 H new ATOM 0 HG21 ILE A 111 12.320 30.224 17.216 1.00 15.00 H new ATOM 0 HG22 ILE A 111 12.927 30.690 18.823 1.00 15.00 H new ATOM 0 HG23 ILE A 111 12.643 28.975 18.443 1.00 15.00 H new ATOM 0 HD11 ILE A 111 9.250 28.861 16.002 1.00 15.00 H new ATOM 0 HD12 ILE A 111 9.449 30.562 16.486 1.00 15.00 H new ATOM 0 HD13 ILE A 111 10.878 29.569 16.115 1.00 15.00 H new ATOM 1155 N LEU A 112 12.829 30.412 21.452 1.00 15.00 N ATOM 1156 CA LEU A 112 13.772 31.309 22.107 1.00 15.00 C ATOM 1157 C LEU A 112 15.004 31.491 21.218 1.00 15.00 C ATOM 1158 O LEU A 112 15.943 30.699 21.317 1.00 15.00 O ATOM 1159 CB LEU A 112 14.197 30.722 23.454 1.00 15.00 C ATOM 1160 CG LEU A 112 13.009 30.740 24.417 1.00 15.00 C ATOM 1161 CD1 LEU A 112 13.230 29.704 25.521 1.00 15.00 C ATOM 1162 CD2 LEU A 112 12.883 32.130 25.044 1.00 15.00 C ATOM 0 H LEU A 112 13.175 29.461 21.326 1.00 15.00 H new ATOM 0 HA LEU A 112 13.294 32.275 22.271 1.00 15.00 H new ATOM 0 HB2 LEU A 112 14.555 29.701 23.321 1.00 15.00 H new ATOM 0 HB3 LEU A 112 15.024 31.298 23.869 1.00 15.00 H new ATOM 0 HG LEU A 112 12.096 30.501 23.871 1.00 15.00 H new ATOM 0 HD11 LEU A 112 12.383 29.717 26.207 1.00 15.00 H new ATOM 0 HD12 LEU A 112 13.322 28.713 25.077 1.00 15.00 H new ATOM 0 HD13 LEU A 112 14.143 29.943 26.067 1.00 15.00 H new ATOM 0 HD21 LEU A 112 12.037 32.144 25.731 1.00 15.00 H new ATOM 0 HD22 LEU A 112 13.796 32.367 25.589 1.00 15.00 H new ATOM 0 HD23 LEU A 112 12.726 32.870 24.259 1.00 15.00 H new ATOM 1174 N PRO A 113 15.012 32.458 20.322 1.00 15.00 N ATOM 1175 CA PRO A 113 16.180 32.670 19.415 1.00 15.00 C ATOM 1176 C PRO A 113 17.334 33.385 20.109 1.00 15.00 C ATOM 1177 O PRO A 113 17.153 34.451 20.699 1.00 15.00 O ATOM 1178 CB PRO A 113 15.613 33.524 18.282 1.00 15.00 C ATOM 1179 CG PRO A 113 14.501 34.301 18.899 1.00 15.00 C ATOM 1180 CD PRO A 113 13.945 33.443 20.037 1.00 15.00 C ATOM 0 HA PRO A 113 16.602 31.725 19.073 1.00 15.00 H new ATOM 0 HB2 PRO A 113 16.374 34.186 17.869 1.00 15.00 H new ATOM 0 HB3 PRO A 113 15.252 32.902 17.463 1.00 15.00 H new ATOM 0 HG2 PRO A 113 14.860 35.258 19.276 1.00 15.00 H new ATOM 0 HG3 PRO A 113 13.726 34.518 18.164 1.00 15.00 H new ATOM 0 HD2 PRO A 113 13.720 34.048 20.915 1.00 15.00 H new ATOM 0 HD3 PRO A 113 13.018 32.949 19.744 1.00 15.00 H new