USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 404 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 65 TYR OH : rot 165:sc= 0.243 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot -85:sc= -0.32! USER MOD Single : A 77 SER OG : rot -37:sc= 0.0642 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= -0.126 X(o=-0.13,f=-0.19) USER MOD Single : A 83 ASN : amide:sc= -0.258 X(o=-0.26,f=0) 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 -72:sc= 1.2 USER MOD Single : A 91 ASN : amide:sc= -1.74 K(o=-1.7,f=-5.1!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 HIS : no HE2:sc= -2.68 K(o=-2.7,f=-5.1!) USER MOD Single : A 95 TYR OH : rot 137:sc= 0.218 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 133:sc= -0.147 (180deg=-1.05) USER MOD Single : A 102 MET CE :methyl -155:sc= -0.27 (180deg=-1.28) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= 0.0124 K(o=0.012,f=-2.3!) USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 385 N LEU A 63 16.677 27.347 21.014 1.00 15.00 N ATOM 386 CA LEU A 63 16.082 26.435 21.989 1.00 15.00 C ATOM 387 C LEU A 63 14.567 26.382 21.818 1.00 15.00 C ATOM 388 O LEU A 63 13.894 27.409 21.864 1.00 15.00 O ATOM 389 CB LEU A 63 16.420 26.902 23.406 1.00 15.00 C ATOM 390 CG LEU A 63 15.929 25.866 24.419 1.00 15.00 C ATOM 391 CD1 LEU A 63 16.799 24.611 24.330 1.00 15.00 C ATOM 392 CD2 LEU A 63 16.025 26.450 25.831 1.00 15.00 C ATOM 0 HA LEU A 63 16.489 25.437 21.825 1.00 15.00 H new ATOM 0 HB2 LEU A 63 17.496 27.042 23.507 1.00 15.00 H new ATOM 0 HB3 LEU A 63 15.953 27.867 23.603 1.00 15.00 H new ATOM 0 HG LEU A 63 14.893 25.607 24.199 1.00 15.00 H new ATOM 0 HD11 LEU A 63 16.449 23.873 25.052 1.00 15.00 H new ATOM 0 HD12 LEU A 63 16.735 24.194 23.325 1.00 15.00 H new ATOM 0 HD13 LEU A 63 17.835 24.870 24.550 1.00 15.00 H new ATOM 0 HD21 LEU A 63 15.675 25.713 26.554 1.00 15.00 H new ATOM 0 HD22 LEU A 63 17.061 26.708 26.048 1.00 15.00 H new ATOM 0 HD23 LEU A 63 15.406 27.345 25.897 1.00 15.00 H new ATOM 404 N PHE A 64 14.042 25.183 21.588 1.00 15.00 N ATOM 405 CA PHE A 64 12.599 25.001 21.476 1.00 15.00 C ATOM 406 C PHE A 64 12.012 24.545 22.808 1.00 15.00 C ATOM 407 O PHE A 64 12.511 23.601 23.420 1.00 15.00 O ATOM 408 CB PHE A 64 12.286 23.964 20.396 1.00 15.00 C ATOM 409 CG PHE A 64 12.712 24.390 19.012 1.00 15.00 C ATOM 410 CD1 PHE A 64 11.875 25.203 18.240 1.00 15.00 C ATOM 411 CD2 PHE A 64 13.947 23.972 18.500 1.00 15.00 C ATOM 412 CE1 PHE A 64 12.270 25.598 16.957 1.00 15.00 C ATOM 413 CE2 PHE A 64 14.343 24.366 17.216 1.00 15.00 C ATOM 414 CZ PHE A 64 13.504 25.180 16.445 1.00 15.00 C ATOM 0 H PHE A 64 14.589 24.329 21.476 1.00 15.00 H new ATOM 0 HA PHE A 64 12.151 25.956 21.203 1.00 15.00 H new ATOM 0 HB2 PHE A 64 12.782 23.027 20.648 1.00 15.00 H new ATOM 0 HB3 PHE A 64 11.214 23.766 20.393 1.00 15.00 H new ATOM 0 HD1 PHE A 64 10.923 25.526 18.635 1.00 15.00 H new ATOM 0 HD2 PHE A 64 14.594 23.345 19.096 1.00 15.00 H new ATOM 0 HE1 PHE A 64 11.623 26.225 16.362 1.00 15.00 H new ATOM 0 HE2 PHE A 64 15.295 24.042 16.821 1.00 15.00 H new ATOM 0 HZ PHE A 64 13.809 25.485 15.455 1.00 15.00 H new ATOM 424 N TYR A 65 10.952 25.214 23.258 1.00 15.00 N ATOM 425 CA TYR A 65 10.268 24.813 24.486 1.00 15.00 C ATOM 426 C TYR A 65 8.790 24.566 24.201 1.00 15.00 C ATOM 427 O TYR A 65 8.182 25.270 23.398 1.00 15.00 O ATOM 428 CB TYR A 65 10.410 25.902 25.550 1.00 15.00 C ATOM 429 CG TYR A 65 10.001 25.443 26.930 1.00 15.00 C ATOM 430 CD1 TYR A 65 10.929 24.790 27.748 1.00 15.00 C ATOM 431 CD2 TYR A 65 8.696 25.664 27.390 1.00 15.00 C ATOM 432 CE1 TYR A 65 10.556 24.359 29.026 1.00 15.00 C ATOM 433 CE2 TYR A 65 8.321 25.231 28.668 1.00 15.00 C ATOM 434 CZ TYR A 65 9.252 24.578 29.487 1.00 15.00 C ATOM 435 OH TYR A 65 8.887 24.149 30.746 1.00 15.00 O ATOM 0 H TYR A 65 10.551 26.030 22.795 1.00 15.00 H new ATOM 0 HA TYR A 65 10.723 23.894 24.855 1.00 15.00 H new ATOM 0 HB2 TYR A 65 11.446 26.240 25.579 1.00 15.00 H new ATOM 0 HB3 TYR A 65 9.802 26.761 25.265 1.00 15.00 H new ATOM 0 HD1 TYR A 65 11.934 24.618 27.393 1.00 15.00 H new ATOM 0 HD2 TYR A 65 7.979 26.168 26.759 1.00 15.00 H new ATOM 0 HE1 TYR A 65 11.274 23.857 29.657 1.00 15.00 H new ATOM 0 HE2 TYR A 65 7.315 25.400 29.022 1.00 15.00 H new ATOM 0 HH TYR A 65 8.045 24.578 31.007 1.00 15.00 H new ATOM 445 N THR A 66 8.217 23.564 24.860 1.00 15.00 N ATOM 446 CA THR A 66 6.816 23.212 24.638 1.00 15.00 C ATOM 447 C THR A 66 5.961 23.624 25.832 1.00 15.00 C ATOM 448 O THR A 66 6.388 23.521 26.983 1.00 15.00 O ATOM 449 CB THR A 66 6.690 21.702 24.416 1.00 15.00 C ATOM 450 OG1 THR A 66 7.568 21.305 23.374 1.00 15.00 O ATOM 451 CG2 THR A 66 5.250 21.358 24.031 1.00 15.00 C ATOM 0 H THR A 66 8.696 22.984 25.548 1.00 15.00 H new ATOM 0 HA THR A 66 6.463 23.744 23.754 1.00 15.00 H new ATOM 0 HB THR A 66 6.952 21.176 25.334 1.00 15.00 H new ATOM 0 HG1 THR A 66 7.490 20.339 23.231 1.00 15.00 H new ATOM 0 HG21 THR A 66 5.162 20.283 23.873 1.00 15.00 H new ATOM 0 HG22 THR A 66 4.576 21.663 24.832 1.00 15.00 H new ATOM 0 HG23 THR A 66 4.984 21.882 23.113 1.00 15.00 H new ATOM 459 N LEU A 67 4.750 24.091 25.547 1.00 15.00 N ATOM 460 CA LEU A 67 3.834 24.518 26.598 1.00 15.00 C ATOM 461 C LEU A 67 3.063 23.330 27.163 1.00 15.00 C ATOM 462 O LEU A 67 2.314 22.668 26.446 1.00 15.00 O ATOM 463 CB LEU A 67 2.843 25.538 26.029 1.00 15.00 C ATOM 464 CG LEU A 67 3.570 26.846 25.708 1.00 15.00 C ATOM 465 CD1 LEU A 67 2.635 27.764 24.918 1.00 15.00 C ATOM 466 CD2 LEU A 67 3.975 27.537 27.012 1.00 15.00 C ATOM 0 H LEU A 67 4.381 24.183 24.601 1.00 15.00 H new ATOM 0 HA LEU A 67 4.417 24.970 27.401 1.00 15.00 H new ATOM 0 HB2 LEU A 67 2.376 25.141 25.128 1.00 15.00 H new ATOM 0 HB3 LEU A 67 2.044 25.722 26.748 1.00 15.00 H new ATOM 0 HG LEU A 67 4.460 26.633 25.117 1.00 15.00 H new ATOM 0 HD11 LEU A 67 3.150 28.697 24.688 1.00 15.00 H new ATOM 0 HD12 LEU A 67 2.341 27.273 23.990 1.00 15.00 H new ATOM 0 HD13 LEU A 67 1.747 27.977 25.513 1.00 15.00 H new ATOM 0 HD21 LEU A 67 4.493 28.469 26.784 1.00 15.00 H new ATOM 0 HD22 LEU A 67 3.084 27.752 27.602 1.00 15.00 H new ATOM 0 HD23 LEU A 67 4.637 26.883 27.580 1.00 15.00 H new ATOM 478 N LYS A 68 3.237 23.088 28.460 1.00 15.00 N ATOM 479 CA LYS A 68 2.545 21.995 29.135 1.00 15.00 C ATOM 480 C LYS A 68 1.453 22.547 30.047 1.00 15.00 C ATOM 481 O LYS A 68 1.617 23.599 30.664 1.00 15.00 O ATOM 482 CB LYS A 68 3.538 21.183 29.968 1.00 15.00 C ATOM 483 CG LYS A 68 4.571 20.530 29.046 1.00 15.00 C ATOM 484 CD LYS A 68 5.496 19.633 29.870 1.00 15.00 C ATOM 485 CE LYS A 68 6.604 19.078 28.974 1.00 15.00 C ATOM 486 NZ LYS A 68 7.607 18.361 29.810 1.00 15.00 N ATOM 0 H LYS A 68 3.851 23.634 29.064 1.00 15.00 H new ATOM 0 HA LYS A 68 2.092 21.351 28.381 1.00 15.00 H new ATOM 0 HB2 LYS A 68 4.037 21.830 30.689 1.00 15.00 H new ATOM 0 HB3 LYS A 68 3.010 20.418 30.538 1.00 15.00 H new ATOM 0 HG2 LYS A 68 4.068 19.943 28.277 1.00 15.00 H new ATOM 0 HG3 LYS A 68 5.152 21.296 28.533 1.00 15.00 H new ATOM 0 HD2 LYS A 68 5.930 20.200 30.694 1.00 15.00 H new ATOM 0 HD3 LYS A 68 4.927 18.815 30.311 1.00 15.00 H new ATOM 0 HE2 LYS A 68 6.181 18.400 28.233 1.00 15.00 H new ATOM 0 HE3 LYS A 68 7.084 19.889 28.427 1.00 15.00 H new ATOM 0 HZ1 LYS A 68 8.361 17.984 29.201 1.00 15.00 H new ATOM 0 HZ2 LYS A 68 8.018 19.021 30.501 1.00 15.00 H new ATOM 0 HZ3 LYS A 68 7.143 17.578 30.313 1.00 15.00 H new ATOM 500 N THR A 69 0.346 21.818 30.157 1.00 15.00 N ATOM 501 CA THR A 69 -0.774 22.268 30.978 1.00 15.00 C ATOM 502 C THR A 69 -0.325 22.559 32.407 1.00 15.00 C ATOM 503 O THR A 69 0.415 21.779 33.007 1.00 15.00 O ATOM 504 CB THR A 69 -1.875 21.204 30.991 1.00 15.00 C ATOM 505 OG1 THR A 69 -2.940 21.639 31.824 1.00 15.00 O ATOM 506 CG2 THR A 69 -1.312 19.886 31.527 1.00 15.00 C ATOM 0 H THR A 69 0.201 20.921 29.693 1.00 15.00 H new ATOM 0 HA THR A 69 -1.162 23.189 30.544 1.00 15.00 H new ATOM 0 HB THR A 69 -2.243 21.051 29.977 1.00 15.00 H new ATOM 0 HG1 THR A 69 -3.647 20.960 31.833 1.00 15.00 H new ATOM 0 HG21 THR A 69 -2.098 19.131 31.535 1.00 15.00 H new ATOM 0 HG22 THR A 69 -0.495 19.552 30.887 1.00 15.00 H new ATOM 0 HG23 THR A 69 -0.941 20.034 32.541 1.00 15.00 H new ATOM 514 N GLY A 70 -0.780 23.688 32.944 1.00 15.00 N ATOM 515 CA GLY A 70 -0.428 24.080 34.306 1.00 15.00 C ATOM 516 C GLY A 70 0.594 25.220 34.342 1.00 15.00 C ATOM 517 O GLY A 70 0.665 25.953 35.329 1.00 15.00 O ATOM 0 H GLY A 70 -1.391 24.345 32.459 1.00 15.00 H new ATOM 0 HA2 GLY A 70 -1.329 24.387 34.837 1.00 15.00 H new ATOM 0 HA3 GLY A 70 -0.024 23.217 34.836 1.00 15.00 H new ATOM 521 N GLU A 71 1.384 25.378 33.280 1.00 15.00 N ATOM 522 CA GLU A 71 2.392 26.435 33.235 1.00 15.00 C ATOM 523 C GLU A 71 1.963 27.538 32.274 1.00 15.00 C ATOM 524 O GLU A 71 1.327 27.271 31.254 1.00 15.00 O ATOM 525 CB GLU A 71 3.733 25.857 32.782 1.00 15.00 C ATOM 526 CG GLU A 71 4.833 26.908 32.978 1.00 15.00 C ATOM 527 CD GLU A 71 6.189 26.421 32.456 1.00 15.00 C ATOM 528 OE1 GLU A 71 6.262 25.339 31.891 1.00 15.00 O ATOM 529 OE2 GLU A 71 7.151 27.146 32.643 1.00 15.00 O ATOM 0 H GLU A 71 1.346 24.792 32.446 1.00 15.00 H new ATOM 0 HA GLU A 71 2.497 26.857 34.235 1.00 15.00 H new ATOM 0 HB2 GLU A 71 3.966 24.959 33.354 1.00 15.00 H new ATOM 0 HB3 GLU A 71 3.679 25.562 31.734 1.00 15.00 H new ATOM 0 HG2 GLU A 71 4.554 27.826 32.461 1.00 15.00 H new ATOM 0 HG3 GLU A 71 4.918 27.151 34.037 1.00 15.00 H new ATOM 536 N THR A 72 2.312 28.780 32.604 1.00 15.00 N ATOM 537 CA THR A 72 1.932 29.925 31.778 1.00 15.00 C ATOM 538 C THR A 72 3.163 30.582 31.160 1.00 15.00 C ATOM 539 O THR A 72 4.285 30.415 31.639 1.00 15.00 O ATOM 540 CB THR A 72 1.180 30.956 32.625 1.00 15.00 C ATOM 541 OG1 THR A 72 2.044 31.458 33.634 1.00 15.00 O ATOM 542 CG2 THR A 72 -0.044 30.305 33.273 1.00 15.00 C ATOM 0 H THR A 72 2.855 29.019 33.434 1.00 15.00 H new ATOM 0 HA THR A 72 1.286 29.565 30.977 1.00 15.00 H new ATOM 0 HB THR A 72 0.851 31.775 31.986 1.00 15.00 H new ATOM 0 HG1 THR A 72 2.028 30.856 34.407 1.00 15.00 H new ATOM 0 HG21 THR A 72 -0.574 31.044 33.874 1.00 15.00 H new ATOM 0 HG22 THR A 72 -0.708 29.925 32.496 1.00 15.00 H new ATOM 0 HG23 THR A 72 0.277 29.481 33.911 1.00 15.00 H new ATOM 550 N VAL A 73 2.942 31.355 30.101 1.00 15.00 N ATOM 551 CA VAL A 73 4.040 32.031 29.419 1.00 15.00 C ATOM 552 C VAL A 73 4.783 32.940 30.397 1.00 15.00 C ATOM 553 O VAL A 73 6.012 32.979 30.413 1.00 15.00 O ATOM 554 CB VAL A 73 3.499 32.852 28.241 1.00 15.00 C ATOM 555 CG1 VAL A 73 4.653 33.522 27.488 1.00 15.00 C ATOM 556 CG2 VAL A 73 2.743 31.932 27.279 1.00 15.00 C ATOM 0 H VAL A 73 2.021 31.528 29.699 1.00 15.00 H new ATOM 0 HA VAL A 73 4.735 31.283 29.038 1.00 15.00 H new ATOM 0 HB VAL A 73 2.828 33.619 28.627 1.00 15.00 H new ATOM 0 HG11 VAL A 73 4.256 34.101 26.655 1.00 15.00 H new ATOM 0 HG12 VAL A 73 5.194 34.184 28.165 1.00 15.00 H new ATOM 0 HG13 VAL A 73 5.332 32.758 27.108 1.00 15.00 H new ATOM 0 HG21 VAL A 73 2.359 32.516 26.443 1.00 15.00 H new ATOM 0 HG22 VAL A 73 3.419 31.163 26.905 1.00 15.00 H new ATOM 0 HG23 VAL A 73 1.912 31.461 27.804 1.00 15.00 H new ATOM 566 N ALA A 74 4.029 33.651 31.232 1.00 15.00 N ATOM 567 CA ALA A 74 4.637 34.555 32.202 1.00 15.00 C ATOM 568 C ALA A 74 5.572 33.790 33.138 1.00 15.00 C ATOM 569 O ALA A 74 6.650 34.274 33.478 1.00 15.00 O ATOM 570 CB ALA A 74 3.549 35.261 33.015 1.00 15.00 C ATOM 0 H ALA A 74 3.010 33.619 31.257 1.00 15.00 H new ATOM 0 HA ALA A 74 5.220 35.300 31.661 1.00 15.00 H new ATOM 0 HB1 ALA A 74 4.013 35.934 33.736 1.00 15.00 H new ATOM 0 HB2 ALA A 74 2.908 35.834 32.345 1.00 15.00 H new ATOM 0 HB3 ALA A 74 2.950 34.519 33.543 1.00 15.00 H new ATOM 576 N ASP A 75 5.168 32.584 33.532 1.00 15.00 N ATOM 577 CA ASP A 75 5.985 31.781 34.437 1.00 15.00 C ATOM 578 C ASP A 75 7.342 31.485 33.805 1.00 15.00 C ATOM 579 O ASP A 75 8.383 31.627 34.447 1.00 15.00 O ATOM 580 CB ASP A 75 5.270 30.467 34.758 1.00 15.00 C ATOM 581 CG ASP A 75 3.975 30.733 35.524 1.00 15.00 C ATOM 582 OD1 ASP A 75 3.922 31.712 36.251 1.00 15.00 O ATOM 583 OD2 ASP A 75 3.056 29.945 35.379 1.00 15.00 O ATOM 0 H ASP A 75 4.293 32.147 33.244 1.00 15.00 H new ATOM 0 HA ASP A 75 6.139 32.343 35.358 1.00 15.00 H new ATOM 0 HB2 ASP A 75 5.049 29.932 33.834 1.00 15.00 H new ATOM 0 HB3 ASP A 75 5.924 29.826 35.349 1.00 15.00 H new ATOM 588 N LEU A 76 7.326 31.103 32.533 1.00 15.00 N ATOM 589 CA LEU A 76 8.566 30.815 31.821 1.00 15.00 C ATOM 590 C LEU A 76 9.477 32.037 31.824 1.00 15.00 C ATOM 591 O LEU A 76 10.676 31.934 32.077 1.00 15.00 O ATOM 592 CB LEU A 76 8.262 30.414 30.375 1.00 15.00 C ATOM 593 CG LEU A 76 7.629 29.022 30.345 1.00 15.00 C ATOM 594 CD1 LEU A 76 6.871 28.835 29.030 1.00 15.00 C ATOM 595 CD2 LEU A 76 8.730 27.963 30.446 1.00 15.00 C ATOM 0 H LEU A 76 6.478 30.986 31.978 1.00 15.00 H new ATOM 0 HA LEU A 76 9.069 29.992 32.328 1.00 15.00 H new ATOM 0 HB2 LEU A 76 7.588 31.140 29.921 1.00 15.00 H new ATOM 0 HB3 LEU A 76 9.179 30.419 29.786 1.00 15.00 H new ATOM 0 HG LEU A 76 6.939 28.918 31.183 1.00 15.00 H new ATOM 0 HD11 LEU A 76 6.420 27.843 29.008 1.00 15.00 H new ATOM 0 HD12 LEU A 76 6.090 29.591 28.950 1.00 15.00 H new ATOM 0 HD13 LEU A 76 7.562 28.938 28.194 1.00 15.00 H new ATOM 0 HD21 LEU A 76 8.282 26.969 30.425 1.00 15.00 H new ATOM 0 HD22 LEU A 76 9.416 28.070 29.606 1.00 15.00 H new ATOM 0 HD23 LEU A 76 9.277 28.095 31.380 1.00 15.00 H new ATOM 607 N SER A 77 8.890 33.198 31.570 1.00 15.00 N ATOM 608 CA SER A 77 9.657 34.436 31.496 1.00 15.00 C ATOM 609 C SER A 77 10.376 34.715 32.811 1.00 15.00 C ATOM 610 O SER A 77 11.534 35.128 32.816 1.00 15.00 O ATOM 611 CB SER A 77 8.721 35.599 31.168 1.00 15.00 C ATOM 612 OG SER A 77 9.490 36.760 30.892 1.00 15.00 O ATOM 0 H SER A 77 7.889 33.310 31.412 1.00 15.00 H new ATOM 0 HA SER A 77 10.406 34.329 30.711 1.00 15.00 H new ATOM 0 HB2 SER A 77 8.099 35.348 30.309 1.00 15.00 H new ATOM 0 HB3 SER A 77 8.048 35.786 32.005 1.00 15.00 H new ATOM 0 HG SER A 77 10.270 36.784 31.485 1.00 15.00 H new ATOM 618 N LYS A 78 9.680 34.497 33.921 1.00 15.00 N ATOM 619 CA LYS A 78 10.254 34.765 35.235 1.00 15.00 C ATOM 620 C LYS A 78 11.469 33.879 35.494 1.00 15.00 C ATOM 621 O LYS A 78 12.507 34.353 35.957 1.00 15.00 O ATOM 622 CB LYS A 78 9.202 34.519 36.321 1.00 15.00 C ATOM 623 CG LYS A 78 9.753 34.951 37.681 1.00 15.00 C ATOM 624 CD LYS A 78 8.732 34.628 38.773 1.00 15.00 C ATOM 625 CE LYS A 78 9.215 35.197 40.109 1.00 15.00 C ATOM 626 NZ LYS A 78 8.076 35.244 41.070 1.00 15.00 N ATOM 0 H LYS A 78 8.725 34.138 33.939 1.00 15.00 H new ATOM 0 HA LYS A 78 10.574 35.807 35.260 1.00 15.00 H new ATOM 0 HB2 LYS A 78 8.293 35.076 36.093 1.00 15.00 H new ATOM 0 HB3 LYS A 78 8.932 33.463 36.346 1.00 15.00 H new ATOM 0 HG2 LYS A 78 10.693 34.437 37.884 1.00 15.00 H new ATOM 0 HG3 LYS A 78 9.969 36.019 37.675 1.00 15.00 H new ATOM 0 HD2 LYS A 78 7.761 35.052 38.515 1.00 15.00 H new ATOM 0 HD3 LYS A 78 8.598 33.549 38.852 1.00 15.00 H new ATOM 0 HE2 LYS A 78 10.018 34.579 40.510 1.00 15.00 H new ATOM 0 HE3 LYS A 78 9.624 36.197 39.964 1.00 15.00 H new ATOM 0 HZ1 LYS A 78 8.404 35.631 41.978 1.00 15.00 H new ATOM 0 HZ2 LYS A 78 7.323 35.851 40.687 1.00 15.00 H new ATOM 0 HZ3 LYS A 78 7.705 34.283 41.216 1.00 15.00 H new ATOM 640 N SER A 79 11.333 32.592 35.190 1.00 15.00 N ATOM 641 CA SER A 79 12.412 31.641 35.438 1.00 15.00 C ATOM 642 C SER A 79 13.659 32.003 34.636 1.00 15.00 C ATOM 643 O SER A 79 14.776 31.956 35.151 1.00 15.00 O ATOM 644 CB SER A 79 11.958 30.231 35.063 1.00 15.00 C ATOM 645 OG SER A 79 12.946 29.297 35.477 1.00 15.00 O ATOM 0 H SER A 79 10.494 32.186 34.775 1.00 15.00 H new ATOM 0 HA SER A 79 12.659 31.679 36.499 1.00 15.00 H new ATOM 0 HB2 SER A 79 11.004 30.004 35.539 1.00 15.00 H new ATOM 0 HB3 SER A 79 11.802 30.160 33.987 1.00 15.00 H new ATOM 0 HG SER A 79 12.659 28.390 35.240 1.00 15.00 H new ATOM 651 N GLN A 80 13.460 32.363 33.374 1.00 15.00 N ATOM 652 CA GLN A 80 14.579 32.709 32.495 1.00 15.00 C ATOM 653 C GLN A 80 15.119 34.127 32.725 1.00 15.00 C ATOM 654 O GLN A 80 16.105 34.513 32.095 1.00 15.00 O ATOM 655 CB GLN A 80 14.143 32.571 31.033 1.00 15.00 C ATOM 656 CG GLN A 80 13.632 31.151 30.756 1.00 15.00 C ATOM 657 CD GLN A 80 14.715 30.116 31.055 1.00 15.00 C ATOM 658 OE1 GLN A 80 15.850 30.252 30.597 1.00 15.00 O ATOM 659 NE2 GLN A 80 14.429 29.083 31.799 1.00 15.00 N ATOM 0 H GLN A 80 12.541 32.424 32.935 1.00 15.00 H new ATOM 0 HA GLN A 80 15.387 32.016 32.732 1.00 15.00 H new ATOM 0 HB2 GLN A 80 13.359 33.295 30.811 1.00 15.00 H new ATOM 0 HB3 GLN A 80 14.982 32.797 30.374 1.00 15.00 H new ATOM 0 HG2 GLN A 80 12.752 30.951 31.368 1.00 15.00 H new ATOM 0 HG3 GLN A 80 13.321 31.068 29.714 1.00 15.00 H new ATOM 0 HE21 GLN A 80 13.488 28.972 32.178 1.00 15.00 H new ATOM 0 HE22 GLN A 80 15.146 28.387 32.002 1.00 15.00 H new ATOM 668 N ASP A 81 14.493 34.903 33.611 1.00 15.00 N ATOM 669 CA ASP A 81 14.936 36.271 33.863 1.00 15.00 C ATOM 670 C ASP A 81 14.893 37.092 32.574 1.00 15.00 C ATOM 671 O ASP A 81 15.799 37.874 32.282 1.00 15.00 O ATOM 672 CB ASP A 81 16.357 36.256 34.434 1.00 15.00 C ATOM 673 CG ASP A 81 16.749 37.657 34.895 1.00 15.00 C ATOM 674 OD1 ASP A 81 16.369 38.025 35.993 1.00 15.00 O ATOM 675 OD2 ASP A 81 17.424 38.340 34.142 1.00 15.00 O ATOM 0 H ASP A 81 13.685 34.609 34.160 1.00 15.00 H new ATOM 0 HA ASP A 81 14.265 36.733 34.587 1.00 15.00 H new ATOM 0 HB2 ASP A 81 16.414 35.560 35.271 1.00 15.00 H new ATOM 0 HB3 ASP A 81 17.058 35.904 33.677 1.00 15.00 H new ATOM 680 N ILE A 82 13.823 36.908 31.807 1.00 15.00 N ATOM 681 CA ILE A 82 13.642 37.631 30.550 1.00 15.00 C ATOM 682 C ILE A 82 12.415 38.535 30.651 1.00 15.00 C ATOM 683 O ILE A 82 11.463 38.221 31.363 1.00 15.00 O ATOM 684 CB ILE A 82 13.468 36.641 29.390 1.00 15.00 C ATOM 685 CG1 ILE A 82 14.679 35.705 29.328 1.00 15.00 C ATOM 686 CG2 ILE A 82 13.361 37.404 28.067 1.00 15.00 C ATOM 687 CD1 ILE A 82 14.430 34.611 28.289 1.00 15.00 C ATOM 0 H ILE A 82 13.066 36.263 32.033 1.00 15.00 H new ATOM 0 HA ILE A 82 14.525 38.241 30.360 1.00 15.00 H new ATOM 0 HB ILE A 82 12.559 36.061 29.552 1.00 15.00 H new ATOM 0 HG12 ILE A 82 15.575 36.270 29.069 1.00 15.00 H new ATOM 0 HG13 ILE A 82 14.856 35.258 30.306 1.00 15.00 H new ATOM 0 HG21 ILE A 82 13.238 36.696 27.248 1.00 15.00 H new ATOM 0 HG22 ILE A 82 12.501 38.073 28.101 1.00 15.00 H new ATOM 0 HG23 ILE A 82 14.268 37.987 27.909 1.00 15.00 H new ATOM 0 HD11 ILE A 82 15.293 33.946 28.247 1.00 15.00 H new ATOM 0 HD12 ILE A 82 13.545 34.039 28.568 1.00 15.00 H new ATOM 0 HD13 ILE A 82 14.275 35.067 27.311 1.00 15.00 H new ATOM 699 N ASN A 83 12.451 39.663 29.949 1.00 15.00 N ATOM 700 CA ASN A 83 11.333 40.600 29.977 1.00 15.00 C ATOM 701 C ASN A 83 10.234 40.153 29.017 1.00 15.00 C ATOM 702 O ASN A 83 10.507 39.710 27.901 1.00 15.00 O ATOM 703 CB ASN A 83 11.815 42.000 29.589 1.00 15.00 C ATOM 704 CG ASN A 83 12.901 42.465 30.554 1.00 15.00 C ATOM 705 OD1 ASN A 83 13.934 42.977 30.125 1.00 15.00 O ATOM 706 ND2 ASN A 83 12.727 42.317 31.839 1.00 15.00 N ATOM 0 H ASN A 83 13.233 39.949 29.360 1.00 15.00 H new ATOM 0 HA ASN A 83 10.928 40.623 30.989 1.00 15.00 H new ATOM 0 HB2 ASN A 83 12.202 41.991 28.570 1.00 15.00 H new ATOM 0 HB3 ASN A 83 10.979 42.699 29.606 1.00 15.00 H new ATOM 0 HD21 ASN A 83 13.449 42.626 32.490 1.00 15.00 H new ATOM 0 HD22 ASN A 83 11.869 41.892 32.192 1.00 15.00 H new ATOM 713 N LEU A 84 8.985 40.284 29.452 1.00 15.00 N ATOM 714 CA LEU A 84 7.854 39.880 28.622 1.00 15.00 C ATOM 715 C LEU A 84 7.882 40.602 27.277 1.00 15.00 C ATOM 716 O LEU A 84 7.571 40.009 26.244 1.00 15.00 O ATOM 717 CB LEU A 84 6.536 40.184 29.341 1.00 15.00 C ATOM 718 CG LEU A 84 6.482 39.433 30.676 1.00 15.00 C ATOM 719 CD1 LEU A 84 5.216 39.833 31.436 1.00 15.00 C ATOM 720 CD2 LEU A 84 6.455 37.925 30.417 1.00 15.00 C ATOM 0 H LEU A 84 8.731 40.662 30.364 1.00 15.00 H new ATOM 0 HA LEU A 84 7.930 38.807 28.444 1.00 15.00 H new ATOM 0 HB2 LEU A 84 6.445 41.256 29.514 1.00 15.00 H new ATOM 0 HB3 LEU A 84 5.694 39.890 28.714 1.00 15.00 H new ATOM 0 HG LEU A 84 7.362 39.687 31.267 1.00 15.00 H new ATOM 0 HD11 LEU A 84 5.178 39.299 32.385 1.00 15.00 H new ATOM 0 HD12 LEU A 84 5.228 40.907 31.624 1.00 15.00 H new ATOM 0 HD13 LEU A 84 4.339 39.579 30.841 1.00 15.00 H new ATOM 0 HD21 LEU A 84 6.417 37.393 31.368 1.00 15.00 H new ATOM 0 HD22 LEU A 84 5.575 37.673 29.825 1.00 15.00 H new ATOM 0 HD23 LEU A 84 7.354 37.633 29.874 1.00 15.00 H new ATOM 732 N SER A 85 8.278 41.872 27.286 1.00 15.00 N ATOM 733 CA SER A 85 8.332 42.648 26.053 1.00 15.00 C ATOM 734 C SER A 85 9.277 41.992 25.052 1.00 15.00 C ATOM 735 O SER A 85 8.959 41.871 23.870 1.00 15.00 O ATOM 736 CB SER A 85 8.809 44.070 26.351 1.00 15.00 C ATOM 737 OG SER A 85 8.672 44.864 25.180 1.00 15.00 O ATOM 0 H SER A 85 8.563 42.380 28.123 1.00 15.00 H new ATOM 0 HA SER A 85 7.331 42.684 25.623 1.00 15.00 H new ATOM 0 HB2 SER A 85 8.226 44.499 27.166 1.00 15.00 H new ATOM 0 HB3 SER A 85 9.849 44.057 26.676 1.00 15.00 H new ATOM 0 HG SER A 85 8.975 45.777 25.367 1.00 15.00 H new ATOM 743 N THR A 86 10.429 41.541 25.537 1.00 15.00 N ATOM 744 CA THR A 86 11.417 40.913 24.665 1.00 15.00 C ATOM 745 C THR A 86 10.848 39.649 24.025 1.00 15.00 C ATOM 746 O THR A 86 10.979 39.432 22.819 1.00 15.00 O ATOM 747 CB THR A 86 12.672 40.561 25.468 1.00 15.00 C ATOM 748 OG1 THR A 86 13.140 41.720 26.142 1.00 15.00 O ATOM 749 CG2 THR A 86 13.760 40.045 24.525 1.00 15.00 C ATOM 0 H THR A 86 10.701 41.597 26.519 1.00 15.00 H new ATOM 0 HA THR A 86 11.675 41.618 23.875 1.00 15.00 H new ATOM 0 HB THR A 86 12.430 39.787 26.196 1.00 15.00 H new ATOM 0 HG1 THR A 86 13.943 41.497 26.658 1.00 15.00 H new ATOM 0 HG21 THR A 86 14.652 39.796 25.100 1.00 15.00 H new ATOM 0 HG22 THR A 86 13.401 39.155 24.008 1.00 15.00 H new ATOM 0 HG23 THR A 86 14.004 40.816 23.794 1.00 15.00 H new ATOM 757 N ILE A 87 10.179 38.832 24.832 1.00 15.00 N ATOM 758 CA ILE A 87 9.628 37.573 24.340 1.00 15.00 C ATOM 759 C ILE A 87 8.667 37.839 23.184 1.00 15.00 C ATOM 760 O ILE A 87 8.723 37.177 22.150 1.00 15.00 O ATOM 761 CB ILE A 87 8.897 36.840 25.474 1.00 15.00 C ATOM 762 CG1 ILE A 87 9.868 36.597 26.634 1.00 15.00 C ATOM 763 CG2 ILE A 87 8.375 35.489 24.976 1.00 15.00 C ATOM 764 CD1 ILE A 87 9.104 36.032 27.833 1.00 15.00 C ATOM 0 H ILE A 87 10.006 39.016 25.820 1.00 15.00 H new ATOM 0 HA ILE A 87 10.445 36.946 23.983 1.00 15.00 H new ATOM 0 HB ILE A 87 8.060 37.453 25.808 1.00 15.00 H new ATOM 0 HG12 ILE A 87 10.650 35.902 26.328 1.00 15.00 H new ATOM 0 HG13 ILE A 87 10.361 37.529 26.910 1.00 15.00 H new ATOM 0 HG21 ILE A 87 7.858 34.977 25.788 1.00 15.00 H new ATOM 0 HG22 ILE A 87 7.683 35.649 24.149 1.00 15.00 H new ATOM 0 HG23 ILE A 87 9.212 34.878 24.636 1.00 15.00 H new ATOM 0 HD11 ILE A 87 9.796 35.860 28.657 1.00 15.00 H new ATOM 0 HD12 ILE A 87 8.339 36.743 28.144 1.00 15.00 H new ATOM 0 HD13 ILE A 87 8.632 35.090 27.553 1.00 15.00 H new ATOM 776 N TRP A 88 7.799 38.828 23.363 1.00 15.00 N ATOM 777 CA TRP A 88 6.837 39.178 22.325 1.00 15.00 C ATOM 778 C TRP A 88 7.539 39.591 21.035 1.00 15.00 C ATOM 779 O TRP A 88 7.192 39.116 19.955 1.00 15.00 O ATOM 780 CB TRP A 88 5.940 40.322 22.801 1.00 15.00 C ATOM 781 CG TRP A 88 4.881 40.692 21.812 1.00 15.00 C ATOM 782 CD1 TRP A 88 3.705 40.043 21.654 1.00 15.00 C ATOM 783 CD2 TRP A 88 4.883 41.778 20.840 1.00 15.00 C ATOM 784 NE1 TRP A 88 2.983 40.662 20.652 1.00 15.00 N ATOM 785 CE2 TRP A 88 3.666 41.737 20.118 1.00 15.00 C ATOM 786 CE3 TRP A 88 5.811 42.784 20.519 1.00 15.00 C ATOM 787 CZ2 TRP A 88 3.381 42.664 19.112 1.00 15.00 C ATOM 788 CZ3 TRP A 88 5.527 43.717 19.510 1.00 15.00 C ATOM 789 CH2 TRP A 88 4.317 43.657 18.807 1.00 15.00 C ATOM 0 H TRP A 88 7.741 39.396 24.208 1.00 15.00 H new ATOM 0 HA TRP A 88 6.231 38.294 22.123 1.00 15.00 H new ATOM 0 HB2 TRP A 88 5.467 40.037 23.741 1.00 15.00 H new ATOM 0 HB3 TRP A 88 6.557 41.197 23.007 1.00 15.00 H new ATOM 0 HD1 TRP A 88 3.383 39.181 22.219 1.00 15.00 H new ATOM 0 HE1 TRP A 88 2.058 40.362 20.344 1.00 15.00 H new ATOM 0 HE3 TRP A 88 6.748 42.839 21.052 1.00 15.00 H new ATOM 0 HZ2 TRP A 88 2.446 42.614 18.575 1.00 15.00 H new ATOM 0 HZ3 TRP A 88 6.247 44.487 19.274 1.00 15.00 H new ATOM 0 HH2 TRP A 88 4.107 44.377 18.030 1.00 15.00 H new ATOM 800 N SER A 89 8.549 40.448 21.147 1.00 15.00 N ATOM 801 CA SER A 89 9.225 40.969 19.962 1.00 15.00 C ATOM 802 C SER A 89 9.740 39.840 19.073 1.00 15.00 C ATOM 803 O SER A 89 9.672 39.932 17.847 1.00 15.00 O ATOM 804 CB SER A 89 10.395 41.861 20.381 1.00 15.00 C ATOM 805 OG SER A 89 11.411 41.055 20.963 1.00 15.00 O ATOM 0 H SER A 89 8.915 40.794 22.034 1.00 15.00 H new ATOM 0 HA SER A 89 8.501 41.551 19.392 1.00 15.00 H new ATOM 0 HB2 SER A 89 10.789 42.395 19.516 1.00 15.00 H new ATOM 0 HB3 SER A 89 10.058 42.613 21.094 1.00 15.00 H new ATOM 0 HG SER A 89 11.118 40.747 21.846 1.00 15.00 H new ATOM 811 N LEU A 90 10.250 38.778 19.689 1.00 15.00 N ATOM 812 CA LEU A 90 10.764 37.645 18.923 1.00 15.00 C ATOM 813 C LEU A 90 9.633 36.823 18.307 1.00 15.00 C ATOM 814 O LEU A 90 9.604 36.601 17.096 1.00 15.00 O ATOM 815 CB LEU A 90 11.606 36.745 19.832 1.00 15.00 C ATOM 816 CG LEU A 90 12.753 37.547 20.452 1.00 15.00 C ATOM 817 CD1 LEU A 90 13.519 36.662 21.436 1.00 15.00 C ATOM 818 CD2 LEU A 90 13.707 38.020 19.352 1.00 15.00 C ATOM 0 H LEU A 90 10.319 38.677 20.702 1.00 15.00 H new ATOM 0 HA LEU A 90 11.378 38.041 18.114 1.00 15.00 H new ATOM 0 HB2 LEU A 90 10.981 36.323 20.619 1.00 15.00 H new ATOM 0 HB3 LEU A 90 12.005 35.908 19.259 1.00 15.00 H new ATOM 0 HG LEU A 90 12.345 38.412 20.975 1.00 15.00 H new ATOM 0 HD11 LEU A 90 14.336 37.232 21.878 1.00 15.00 H new ATOM 0 HD12 LEU A 90 12.845 36.325 22.223 1.00 15.00 H new ATOM 0 HD13 LEU A 90 13.923 35.798 20.909 1.00 15.00 H new ATOM 0 HD21 LEU A 90 14.522 38.590 19.798 1.00 15.00 H new ATOM 0 HD22 LEU A 90 14.114 37.156 18.827 1.00 15.00 H new ATOM 0 HD23 LEU A 90 13.165 38.651 18.647 1.00 15.00 H new ATOM 830 N ASN A 91 8.681 36.401 19.135 1.00 15.00 N ATOM 831 CA ASN A 91 7.608 35.521 18.666 1.00 15.00 C ATOM 832 C ASN A 91 6.403 36.277 18.091 1.00 15.00 C ATOM 833 O ASN A 91 5.376 35.665 17.798 1.00 15.00 O ATOM 834 CB ASN A 91 7.138 34.626 19.815 1.00 15.00 C ATOM 835 CG ASN A 91 8.268 33.697 20.246 1.00 15.00 C ATOM 836 OD1 ASN A 91 8.175 32.480 20.082 1.00 15.00 O ATOM 837 ND2 ASN A 91 9.341 34.200 20.792 1.00 15.00 N ATOM 0 H ASN A 91 8.628 36.649 20.123 1.00 15.00 H new ATOM 0 HA ASN A 91 8.028 34.928 17.854 1.00 15.00 H new ATOM 0 HB2 ASN A 91 6.818 35.239 20.658 1.00 15.00 H new ATOM 0 HB3 ASN A 91 6.274 34.040 19.501 1.00 15.00 H new ATOM 0 HD21 ASN A 91 10.101 33.585 21.082 1.00 15.00 H new ATOM 0 HD22 ASN A 91 9.419 35.208 20.928 1.00 15.00 H new ATOM 844 N LYS A 92 6.509 37.596 17.931 1.00 15.00 N ATOM 845 CA LYS A 92 5.419 38.380 17.356 1.00 15.00 C ATOM 846 C LYS A 92 4.940 37.808 16.020 1.00 15.00 C ATOM 847 O LYS A 92 3.788 38.017 15.639 1.00 15.00 O ATOM 848 CB LYS A 92 5.862 39.841 17.191 1.00 15.00 C ATOM 849 CG LYS A 92 7.093 39.948 16.278 1.00 15.00 C ATOM 850 CD LYS A 92 6.677 40.212 14.826 1.00 15.00 C ATOM 851 CE LYS A 92 7.927 40.435 13.971 1.00 15.00 C ATOM 852 NZ LYS A 92 7.540 41.079 12.684 1.00 15.00 N ATOM 0 H LYS A 92 7.332 38.140 18.190 1.00 15.00 H new ATOM 0 HA LYS A 92 4.574 38.332 18.043 1.00 15.00 H new ATOM 0 HB2 LYS A 92 5.044 40.427 16.773 1.00 15.00 H new ATOM 0 HB3 LYS A 92 6.092 40.267 18.168 1.00 15.00 H new ATOM 0 HG2 LYS A 92 7.740 40.752 16.627 1.00 15.00 H new ATOM 0 HG3 LYS A 92 7.672 39.026 16.333 1.00 15.00 H new ATOM 0 HD2 LYS A 92 6.105 39.368 14.441 1.00 15.00 H new ATOM 0 HD3 LYS A 92 6.028 41.086 14.775 1.00 15.00 H new ATOM 0 HE2 LYS A 92 8.639 41.064 14.505 1.00 15.00 H new ATOM 0 HE3 LYS A 92 8.424 39.484 13.779 1.00 15.00 H new ATOM 0 HZ1 LYS A 92 8.389 41.231 12.103 1.00 15.00 H new ATOM 0 HZ2 LYS A 92 6.876 40.463 12.173 1.00 15.00 H new ATOM 0 HZ3 LYS A 92 7.084 41.994 12.877 1.00 15.00 H new ATOM 866 N HIS A 93 5.816 37.107 15.300 1.00 15.00 N ATOM 867 CA HIS A 93 5.432 36.515 14.024 1.00 15.00 C ATOM 868 C HIS A 93 4.562 35.274 14.227 1.00 15.00 C ATOM 869 O HIS A 93 3.639 35.025 13.453 1.00 15.00 O ATOM 870 CB HIS A 93 6.680 36.174 13.199 1.00 15.00 C ATOM 871 CG HIS A 93 7.477 34.999 13.706 1.00 15.00 C ATOM 872 ND1 HIS A 93 8.445 35.119 14.693 1.00 15.00 N ATOM 873 CD2 HIS A 93 7.475 33.673 13.345 1.00 15.00 C ATOM 874 CE1 HIS A 93 8.982 33.902 14.885 1.00 15.00 C ATOM 875 NE2 HIS A 93 8.427 32.983 14.091 1.00 15.00 N ATOM 0 H HIS A 93 6.783 36.938 15.576 1.00 15.00 H new ATOM 0 HA HIS A 93 4.840 37.247 13.475 1.00 15.00 H new ATOM 0 HB2 HIS A 93 6.374 35.971 12.173 1.00 15.00 H new ATOM 0 HB3 HIS A 93 7.329 37.049 13.171 1.00 15.00 H new ATOM 0 HD1 HIS A 93 8.702 35.975 15.184 1.00 15.00 H new ATOM 0 HD2 HIS A 93 6.833 33.233 12.596 1.00 15.00 H new ATOM 0 HE1 HIS A 93 9.768 33.693 15.596 1.00 15.00 H new ATOM 883 N LEU A 94 4.856 34.499 15.270 1.00 15.00 N ATOM 884 CA LEU A 94 4.094 33.283 15.544 1.00 15.00 C ATOM 885 C LEU A 94 2.679 33.609 16.017 1.00 15.00 C ATOM 886 O LEU A 94 1.716 32.959 15.609 1.00 15.00 O ATOM 887 CB LEU A 94 4.800 32.451 16.617 1.00 15.00 C ATOM 888 CG LEU A 94 6.217 32.099 16.161 1.00 15.00 C ATOM 889 CD1 LEU A 94 6.946 31.362 17.286 1.00 15.00 C ATOM 890 CD2 LEU A 94 6.153 31.194 14.927 1.00 15.00 C ATOM 0 H LEU A 94 5.608 34.689 15.932 1.00 15.00 H new ATOM 0 HA LEU A 94 4.030 32.716 14.615 1.00 15.00 H new ATOM 0 HB2 LEU A 94 4.839 33.008 17.553 1.00 15.00 H new ATOM 0 HB3 LEU A 94 4.235 31.539 16.812 1.00 15.00 H new ATOM 0 HG LEU A 94 6.752 33.016 15.913 1.00 15.00 H new ATOM 0 HD11 LEU A 94 7.956 31.111 16.962 1.00 15.00 H new ATOM 0 HD12 LEU A 94 6.996 32.002 18.167 1.00 15.00 H new ATOM 0 HD13 LEU A 94 6.406 30.448 17.532 1.00 15.00 H new ATOM 0 HD21 LEU A 94 7.164 30.945 14.605 1.00 15.00 H new ATOM 0 HD22 LEU A 94 5.616 30.279 15.175 1.00 15.00 H new ATOM 0 HD23 LEU A 94 5.633 31.713 14.122 1.00 15.00 H new ATOM 902 N TYR A 95 2.557 34.616 16.879 1.00 15.00 N ATOM 903 CA TYR A 95 1.259 34.987 17.440 1.00 15.00 C ATOM 904 C TYR A 95 0.831 36.370 16.956 1.00 15.00 C ATOM 905 O TYR A 95 1.662 37.246 16.729 1.00 15.00 O ATOM 906 CB TYR A 95 1.334 34.977 18.966 1.00 15.00 C ATOM 907 CG TYR A 95 1.701 33.626 19.535 1.00 15.00 C ATOM 908 CD1 TYR A 95 0.718 32.640 19.680 1.00 15.00 C ATOM 909 CD2 TYR A 95 3.023 33.359 19.916 1.00 15.00 C ATOM 910 CE1 TYR A 95 1.056 31.387 20.206 1.00 15.00 C ATOM 911 CE2 TYR A 95 3.359 32.105 20.441 1.00 15.00 C ATOM 912 CZ TYR A 95 2.376 31.119 20.585 1.00 15.00 C ATOM 913 OH TYR A 95 2.704 29.884 21.107 1.00 15.00 O ATOM 0 H TYR A 95 3.337 35.188 17.203 1.00 15.00 H new ATOM 0 HA TYR A 95 0.520 34.260 17.104 1.00 15.00 H new ATOM 0 HB2 TYR A 95 2.069 35.713 19.292 1.00 15.00 H new ATOM 0 HB3 TYR A 95 0.371 35.286 19.373 1.00 15.00 H new ATOM 0 HD1 TYR A 95 -0.301 32.846 19.386 1.00 15.00 H new ATOM 0 HD2 TYR A 95 3.782 34.119 19.805 1.00 15.00 H new ATOM 0 HE1 TYR A 95 0.297 30.627 20.319 1.00 15.00 H new ATOM 0 HE2 TYR A 95 4.377 31.898 20.735 1.00 15.00 H new ATOM 0 HH TYR A 95 3.544 29.573 20.709 1.00 15.00 H new ATOM 923 N SER A 96 -0.477 36.555 16.811 1.00 15.00 N ATOM 924 CA SER A 96 -1.013 37.798 16.268 1.00 15.00 C ATOM 925 C SER A 96 -0.858 38.959 17.248 1.00 15.00 C ATOM 926 O SER A 96 -0.511 40.070 16.848 1.00 15.00 O ATOM 927 CB SER A 96 -2.492 37.618 15.926 1.00 15.00 C ATOM 928 OG SER A 96 -2.636 36.508 15.049 1.00 15.00 O ATOM 0 H SER A 96 -1.183 35.863 17.061 1.00 15.00 H new ATOM 0 HA SER A 96 -0.446 38.037 15.368 1.00 15.00 H new ATOM 0 HB2 SER A 96 -3.071 37.456 16.835 1.00 15.00 H new ATOM 0 HB3 SER A 96 -2.882 38.521 15.456 1.00 15.00 H new ATOM 0 HG SER A 96 -3.583 36.387 14.828 1.00 15.00 H new ATOM 934 N SER A 97 -1.114 38.700 18.527 1.00 15.00 N ATOM 935 CA SER A 97 -1.098 39.767 19.524 1.00 15.00 C ATOM 936 C SER A 97 -0.741 39.233 20.908 1.00 15.00 C ATOM 937 O SER A 97 -0.689 38.023 21.127 1.00 15.00 O ATOM 938 CB SER A 97 -2.467 40.445 19.579 1.00 15.00 C ATOM 939 OG SER A 97 -3.408 39.550 20.155 1.00 15.00 O ATOM 0 H SER A 97 -1.332 37.774 18.895 1.00 15.00 H new ATOM 0 HA SER A 97 -0.336 40.489 19.229 1.00 15.00 H new ATOM 0 HB2 SER A 97 -2.410 41.360 20.168 1.00 15.00 H new ATOM 0 HB3 SER A 97 -2.785 40.731 18.576 1.00 15.00 H new ATOM 0 HG SER A 97 -4.287 39.981 20.194 1.00 15.00 H new ATOM 945 N GLU A 98 -0.500 40.154 21.836 1.00 15.00 N ATOM 946 CA GLU A 98 -0.150 39.787 23.204 1.00 15.00 C ATOM 947 C GLU A 98 -1.261 38.974 23.866 1.00 15.00 C ATOM 948 O GLU A 98 -0.990 38.066 24.650 1.00 15.00 O ATOM 949 CB GLU A 98 0.101 41.050 24.031 1.00 15.00 C ATOM 950 CG GLU A 98 1.312 41.805 23.471 1.00 15.00 C ATOM 951 CD GLU A 98 1.651 43.041 24.310 1.00 15.00 C ATOM 952 OE1 GLU A 98 0.867 43.412 25.173 1.00 15.00 O ATOM 953 OE2 GLU A 98 2.707 43.606 24.077 1.00 15.00 O ATOM 0 H GLU A 98 -0.541 41.159 21.666 1.00 15.00 H new ATOM 0 HA GLU A 98 0.752 39.176 23.163 1.00 15.00 H new ATOM 0 HB2 GLU A 98 -0.780 41.691 24.010 1.00 15.00 H new ATOM 0 HB3 GLU A 98 0.277 40.784 25.073 1.00 15.00 H new ATOM 0 HG2 GLU A 98 2.174 41.138 23.442 1.00 15.00 H new ATOM 0 HG3 GLU A 98 1.108 42.108 22.444 1.00 15.00 H new ATOM 960 N SER A 99 -2.513 39.297 23.548 1.00 15.00 N ATOM 961 CA SER A 99 -3.645 38.623 24.178 1.00 15.00 C ATOM 962 C SER A 99 -3.561 37.113 23.975 1.00 15.00 C ATOM 963 O SER A 99 -3.752 36.340 24.912 1.00 15.00 O ATOM 964 CB SER A 99 -4.955 39.146 23.588 1.00 15.00 C ATOM 965 OG SER A 99 -6.045 38.626 24.338 1.00 15.00 O ATOM 0 H SER A 99 -2.767 40.012 22.867 1.00 15.00 H new ATOM 0 HA SER A 99 -3.615 38.832 25.247 1.00 15.00 H new ATOM 0 HB2 SER A 99 -4.969 40.236 23.611 1.00 15.00 H new ATOM 0 HB3 SER A 99 -5.042 38.848 22.543 1.00 15.00 H new ATOM 0 HG SER A 99 -6.888 38.960 23.965 1.00 15.00 H new ATOM 971 N GLU A 100 -3.238 36.698 22.755 1.00 15.00 N ATOM 972 CA GLU A 100 -3.149 35.275 22.445 1.00 15.00 C ATOM 973 C GLU A 100 -2.066 34.591 23.278 1.00 15.00 C ATOM 974 O GLU A 100 -2.221 33.434 23.670 1.00 15.00 O ATOM 975 CB GLU A 100 -2.868 35.083 20.954 1.00 15.00 C ATOM 976 CG GLU A 100 -4.075 35.578 20.150 1.00 15.00 C ATOM 977 CD GLU A 100 -3.891 35.348 18.647 1.00 15.00 C ATOM 978 OE1 GLU A 100 -2.777 35.089 18.217 1.00 15.00 O ATOM 979 OE2 GLU A 100 -4.875 35.464 17.936 1.00 15.00 O ATOM 0 H GLU A 100 -3.035 37.319 21.972 1.00 15.00 H new ATOM 0 HA GLU A 100 -4.104 34.813 22.695 1.00 15.00 H new ATOM 0 HB2 GLU A 100 -1.973 35.634 20.666 1.00 15.00 H new ATOM 0 HB3 GLU A 100 -2.678 34.031 20.739 1.00 15.00 H new ATOM 0 HG2 GLU A 100 -4.974 35.063 20.489 1.00 15.00 H new ATOM 0 HG3 GLU A 100 -4.226 36.641 20.339 1.00 15.00 H new ATOM 986 N MET A 101 -0.972 35.300 23.547 1.00 15.00 N ATOM 987 CA MET A 101 0.111 34.735 24.346 1.00 15.00 C ATOM 988 C MET A 101 -0.349 34.479 25.780 1.00 15.00 C ATOM 989 O MET A 101 -0.180 33.382 26.309 1.00 15.00 O ATOM 990 CB MET A 101 1.305 35.692 24.356 1.00 15.00 C ATOM 991 CG MET A 101 1.865 35.828 22.938 1.00 15.00 C ATOM 992 SD MET A 101 3.398 36.789 22.984 1.00 15.00 S ATOM 993 CE MET A 101 4.448 35.521 23.736 1.00 15.00 C ATOM 0 H MET A 101 -0.813 36.256 23.228 1.00 15.00 H new ATOM 0 HA MET A 101 0.406 33.786 23.899 1.00 15.00 H new ATOM 0 HB2 MET A 101 0.999 36.668 24.732 1.00 15.00 H new ATOM 0 HB3 MET A 101 2.077 35.319 25.029 1.00 15.00 H new ATOM 0 HG2 MET A 101 2.054 34.842 22.514 1.00 15.00 H new ATOM 0 HG3 MET A 101 1.136 36.318 22.293 1.00 15.00 H new ATOM 0 HE1 MET A 101 5.385 35.450 23.184 1.00 15.00 H new ATOM 0 HE2 MET A 101 4.657 35.789 24.772 1.00 15.00 H new ATOM 0 HE3 MET A 101 3.936 34.559 23.706 1.00 15.00 H new ATOM 1003 N MET A 102 -0.988 35.475 26.384 1.00 15.00 N ATOM 1004 CA MET A 102 -1.438 35.353 27.768 1.00 15.00 C ATOM 1005 C MET A 102 -2.420 34.193 27.929 1.00 15.00 C ATOM 1006 O MET A 102 -2.398 33.488 28.938 1.00 15.00 O ATOM 1007 CB MET A 102 -2.119 36.655 28.208 1.00 15.00 C ATOM 1008 CG MET A 102 -1.137 37.830 28.132 1.00 15.00 C ATOM 1009 SD MET A 102 0.294 37.541 29.206 1.00 15.00 S ATOM 1010 CE MET A 102 -0.597 37.505 30.781 1.00 15.00 C ATOM 0 H MET A 102 -1.205 36.369 25.943 1.00 15.00 H new ATOM 0 HA MET A 102 -0.565 35.159 28.391 1.00 15.00 H new ATOM 0 HB2 MET A 102 -2.982 36.853 27.572 1.00 15.00 H new ATOM 0 HB3 MET A 102 -2.491 36.551 29.227 1.00 15.00 H new ATOM 0 HG2 MET A 102 -0.804 37.966 27.103 1.00 15.00 H new ATOM 0 HG3 MET A 102 -1.640 38.750 28.428 1.00 15.00 H new ATOM 0 HE1 MET A 102 0.081 37.779 31.589 1.00 15.00 H new ATOM 0 HE2 MET A 102 -1.425 38.213 30.747 1.00 15.00 H new ATOM 0 HE3 MET A 102 -0.984 36.501 30.957 1.00 15.00 H new ATOM 1020 N LYS A 103 -3.277 34.001 26.932 1.00 15.00 N ATOM 1021 CA LYS A 103 -4.284 32.940 26.986 1.00 15.00 C ATOM 1022 C LYS A 103 -3.806 31.639 26.331 1.00 15.00 C ATOM 1023 O LYS A 103 -4.624 30.774 26.017 1.00 15.00 O ATOM 1024 CB LYS A 103 -5.558 33.414 26.284 1.00 15.00 C ATOM 1025 CG LYS A 103 -6.141 34.612 27.035 1.00 15.00 C ATOM 1026 CD LYS A 103 -7.471 35.019 26.397 1.00 15.00 C ATOM 1027 CE LYS A 103 -7.992 36.290 27.070 1.00 15.00 C ATOM 1028 NZ LYS A 103 -9.326 36.640 26.505 1.00 15.00 N ATOM 0 H LYS A 103 -3.297 34.561 26.080 1.00 15.00 H new ATOM 0 HA LYS A 103 -4.474 32.728 28.038 1.00 15.00 H new ATOM 0 HB2 LYS A 103 -5.336 33.691 25.253 1.00 15.00 H new ATOM 0 HB3 LYS A 103 -6.288 32.605 26.247 1.00 15.00 H new ATOM 0 HG2 LYS A 103 -6.292 34.358 28.084 1.00 15.00 H new ATOM 0 HG3 LYS A 103 -5.442 35.447 27.007 1.00 15.00 H new ATOM 0 HD2 LYS A 103 -7.337 35.189 25.329 1.00 15.00 H new ATOM 0 HD3 LYS A 103 -8.199 34.214 26.503 1.00 15.00 H new ATOM 0 HE2 LYS A 103 -8.069 36.139 28.147 1.00 15.00 H new ATOM 0 HE3 LYS A 103 -7.292 37.111 26.913 1.00 15.00 H new ATOM 0 HZ1 LYS A 103 -9.681 37.504 26.962 1.00 15.00 H new ATOM 0 HZ2 LYS A 103 -9.238 36.801 25.481 1.00 15.00 H new ATOM 0 HZ3 LYS A 103 -9.991 35.859 26.677 1.00 15.00 H new ATOM 1042 N ALA A 104 -2.496 31.487 26.121 1.00 15.00 N ATOM 1043 CA ALA A 104 -1.960 30.288 25.481 1.00 15.00 C ATOM 1044 C ALA A 104 -2.442 29.021 26.183 1.00 15.00 C ATOM 1045 O ALA A 104 -2.659 29.010 27.395 1.00 15.00 O ATOM 1046 CB ALA A 104 -0.432 30.330 25.499 1.00 15.00 C ATOM 0 H ALA A 104 -1.792 32.177 26.384 1.00 15.00 H new ATOM 0 HA ALA A 104 -2.319 30.267 24.452 1.00 15.00 H new ATOM 0 HB1 ALA A 104 -0.038 29.434 25.021 1.00 15.00 H new ATOM 0 HB2 ALA A 104 -0.086 31.211 24.959 1.00 15.00 H new ATOM 0 HB3 ALA A 104 -0.081 30.375 26.530 1.00 15.00 H new ATOM 1052 N ALA A 105 -2.606 27.957 25.402 1.00 15.00 N ATOM 1053 CA ALA A 105 -3.089 26.683 25.928 1.00 15.00 C ATOM 1054 C ALA A 105 -2.069 25.571 25.666 1.00 15.00 C ATOM 1055 O ALA A 105 -1.113 25.783 24.918 1.00 15.00 O ATOM 1056 CB ALA A 105 -4.420 26.319 25.266 1.00 15.00 C ATOM 0 H ALA A 105 -2.411 27.952 24.401 1.00 15.00 H new ATOM 0 HA ALA A 105 -3.231 26.785 27.004 1.00 15.00 H new ATOM 0 HB1 ALA A 105 -4.775 25.368 25.662 1.00 15.00 H new ATOM 0 HB2 ALA A 105 -5.155 27.096 25.475 1.00 15.00 H new ATOM 0 HB3 ALA A 105 -4.279 26.233 24.189 1.00 15.00 H new ATOM 1062 N PRO A 106 -2.237 24.404 26.253 1.00 15.00 N ATOM 1063 CA PRO A 106 -1.258 23.288 26.069 1.00 15.00 C ATOM 1064 C PRO A 106 -1.154 22.839 24.612 1.00 15.00 C ATOM 1065 O PRO A 106 -2.137 22.866 23.873 1.00 15.00 O ATOM 1066 CB PRO A 106 -1.784 22.151 26.956 1.00 15.00 C ATOM 1067 CG PRO A 106 -2.780 22.774 27.874 1.00 15.00 C ATOM 1068 CD PRO A 106 -3.343 23.984 27.136 1.00 15.00 C ATOM 0 HA PRO A 106 -0.250 23.601 26.343 1.00 15.00 H new ATOM 0 HB2 PRO A 106 -2.245 21.368 26.354 1.00 15.00 H new ATOM 0 HB3 PRO A 106 -0.973 21.687 27.517 1.00 15.00 H new ATOM 0 HG2 PRO A 106 -3.572 22.068 28.125 1.00 15.00 H new ATOM 0 HG3 PRO A 106 -2.311 23.074 28.811 1.00 15.00 H new ATOM 0 HD2 PRO A 106 -4.235 23.725 26.565 1.00 15.00 H new ATOM 0 HD3 PRO A 106 -3.627 24.778 27.827 1.00 15.00 H new ATOM 1076 N GLY A 107 0.046 22.430 24.210 1.00 15.00 N ATOM 1077 CA GLY A 107 0.260 21.917 22.857 1.00 15.00 C ATOM 1078 C GLY A 107 0.932 22.927 21.921 1.00 15.00 C ATOM 1079 O GLY A 107 1.389 22.547 20.842 1.00 15.00 O ATOM 0 H GLY A 107 0.881 22.443 24.796 1.00 15.00 H new ATOM 0 HA2 GLY A 107 0.874 21.018 22.910 1.00 15.00 H new ATOM 0 HA3 GLY A 107 -0.700 21.622 22.432 1.00 15.00 H new ATOM 1083 N GLN A 108 0.997 24.200 22.314 1.00 15.00 N ATOM 1084 CA GLN A 108 1.618 25.216 21.467 1.00 15.00 C ATOM 1085 C GLN A 108 3.121 25.280 21.713 1.00 15.00 C ATOM 1086 O GLN A 108 3.604 24.887 22.774 1.00 15.00 O ATOM 1087 CB GLN A 108 0.981 26.583 21.718 1.00 15.00 C ATOM 1088 CG GLN A 108 -0.472 26.554 21.242 1.00 15.00 C ATOM 1089 CD GLN A 108 -1.112 27.927 21.418 1.00 15.00 C ATOM 1090 OE1 GLN A 108 -1.591 28.252 22.503 1.00 15.00 O ATOM 1091 NE2 GLN A 108 -1.147 28.757 20.411 1.00 15.00 N ATOM 0 H GLN A 108 0.632 24.548 23.201 1.00 15.00 H new ATOM 0 HA GLN A 108 1.452 24.939 20.426 1.00 15.00 H new ATOM 0 HB2 GLN A 108 1.024 26.829 22.779 1.00 15.00 H new ATOM 0 HB3 GLN A 108 1.535 27.359 21.189 1.00 15.00 H new ATOM 0 HG2 GLN A 108 -0.513 26.257 20.194 1.00 15.00 H new ATOM 0 HG3 GLN A 108 -1.032 25.809 21.806 1.00 15.00 H new ATOM 0 HE21 GLN A 108 -0.749 28.485 19.512 1.00 15.00 H new ATOM 0 HE22 GLN A 108 -1.572 29.677 20.523 1.00 15.00 H new ATOM 1100 N GLN A 109 3.860 25.764 20.718 1.00 15.00 N ATOM 1101 CA GLN A 109 5.317 25.824 20.809 1.00 15.00 C ATOM 1102 C GLN A 109 5.802 27.267 20.922 1.00 15.00 C ATOM 1103 O GLN A 109 5.165 28.194 20.418 1.00 15.00 O ATOM 1104 CB GLN A 109 5.938 25.175 19.572 1.00 15.00 C ATOM 1105 CG GLN A 109 5.574 23.689 19.536 1.00 15.00 C ATOM 1106 CD GLN A 109 6.109 23.036 18.264 1.00 15.00 C ATOM 1107 OE1 GLN A 109 6.436 23.720 17.293 1.00 15.00 O ATOM 1108 NE2 GLN A 109 6.219 21.736 18.210 1.00 15.00 N ATOM 0 H GLN A 109 3.476 26.119 19.842 1.00 15.00 H new ATOM 0 HA GLN A 109 5.624 25.285 21.705 1.00 15.00 H new ATOM 0 HB2 GLN A 109 5.579 25.670 18.670 1.00 15.00 H new ATOM 0 HB3 GLN A 109 7.021 25.294 19.591 1.00 15.00 H new ATOM 0 HG2 GLN A 109 5.987 23.187 20.411 1.00 15.00 H new ATOM 0 HG3 GLN A 109 4.491 23.573 19.583 1.00 15.00 H new ATOM 0 HE21 GLN A 109 5.949 21.168 19.013 1.00 15.00 H new ATOM 0 HE22 GLN A 109 6.575 21.289 17.365 1.00 15.00 H new ATOM 1117 N ILE A 110 6.910 27.443 21.633 1.00 15.00 N ATOM 1118 CA ILE A 110 7.553 28.748 21.760 1.00 15.00 C ATOM 1119 C ILE A 110 9.023 28.631 21.362 1.00 15.00 C ATOM 1120 O ILE A 110 9.698 27.675 21.741 1.00 15.00 O ATOM 1121 CB ILE A 110 7.425 29.244 23.207 1.00 15.00 C ATOM 1122 CG1 ILE A 110 5.941 29.361 23.567 1.00 15.00 C ATOM 1123 CG2 ILE A 110 8.096 30.612 23.361 1.00 15.00 C ATOM 1124 CD1 ILE A 110 5.787 29.638 25.065 1.00 15.00 C ATOM 0 H ILE A 110 7.386 26.693 22.134 1.00 15.00 H new ATOM 0 HA ILE A 110 7.066 29.466 21.100 1.00 15.00 H new ATOM 0 HB ILE A 110 7.916 28.535 23.873 1.00 15.00 H new ATOM 0 HG12 ILE A 110 5.481 30.164 22.991 1.00 15.00 H new ATOM 0 HG13 ILE A 110 5.420 28.440 23.303 1.00 15.00 H new ATOM 0 HG21 ILE A 110 7.998 30.952 24.392 1.00 15.00 H new ATOM 0 HG22 ILE A 110 9.152 30.530 23.105 1.00 15.00 H new ATOM 0 HG23 ILE A 110 7.616 31.330 22.695 1.00 15.00 H new ATOM 0 HD11 ILE A 110 4.729 29.720 25.313 1.00 15.00 H new ATOM 0 HD12 ILE A 110 6.231 28.821 25.634 1.00 15.00 H new ATOM 0 HD13 ILE A 110 6.292 30.571 25.316 1.00 15.00 H new ATOM 1136 N ILE A 111 9.520 29.609 20.608 1.00 15.00 N ATOM 1137 CA ILE A 111 10.920 29.603 20.189 1.00 15.00 C ATOM 1138 C ILE A 111 11.701 30.657 20.968 1.00 15.00 C ATOM 1139 O ILE A 111 11.264 31.800 21.097 1.00 15.00 O ATOM 1140 CB ILE A 111 11.033 29.876 18.682 1.00 15.00 C ATOM 1141 CG1 ILE A 111 10.199 28.849 17.905 1.00 15.00 C ATOM 1142 CG2 ILE A 111 12.502 29.764 18.252 1.00 15.00 C ATOM 1143 CD1 ILE A 111 10.066 29.288 16.445 1.00 15.00 C ATOM 0 H ILE A 111 8.980 30.409 20.277 1.00 15.00 H new ATOM 0 HA ILE A 111 11.340 28.619 20.397 1.00 15.00 H new ATOM 0 HB ILE A 111 10.662 30.879 18.470 1.00 15.00 H new ATOM 0 HG12 ILE A 111 10.672 27.868 17.958 1.00 15.00 H new ATOM 0 HG13 ILE A 111 9.212 28.752 18.357 1.00 15.00 H new ATOM 0 HG21 ILE A 111 12.584 29.958 17.182 1.00 15.00 H new ATOM 0 HG22 ILE A 111 13.098 30.494 18.800 1.00 15.00 H new ATOM 0 HG23 ILE A 111 12.869 28.761 18.468 1.00 15.00 H new ATOM 0 HD11 ILE A 111 9.473 28.555 15.897 1.00 15.00 H new ATOM 0 HD12 ILE A 111 9.574 30.260 16.401 1.00 15.00 H new ATOM 0 HD13 ILE A 111 11.056 29.362 15.996 1.00 15.00 H new ATOM 1155 N LEU A 112 12.857 30.259 21.490 1.00 15.00 N ATOM 1156 CA LEU A 112 13.727 31.174 22.221 1.00 15.00 C ATOM 1157 C LEU A 112 15.083 31.278 21.522 1.00 15.00 C ATOM 1158 O LEU A 112 15.956 30.437 21.750 1.00 15.00 O ATOM 1159 CB LEU A 112 13.927 30.669 23.650 1.00 15.00 C ATOM 1160 CG LEU A 112 12.586 30.665 24.384 1.00 15.00 C ATOM 1161 CD1 LEU A 112 12.650 29.690 25.561 1.00 15.00 C ATOM 1162 CD2 LEU A 112 12.287 32.073 24.905 1.00 15.00 C ATOM 0 H LEU A 112 13.214 29.306 21.420 1.00 15.00 H new ATOM 0 HA LEU A 112 13.261 32.159 22.247 1.00 15.00 H new ATOM 0 HB2 LEU A 112 14.348 29.664 23.636 1.00 15.00 H new ATOM 0 HB3 LEU A 112 14.639 31.306 24.175 1.00 15.00 H new ATOM 0 HG LEU A 112 11.798 30.355 23.698 1.00 15.00 H new ATOM 0 HD11 LEU A 112 11.694 29.688 26.084 1.00 15.00 H new ATOM 0 HD12 LEU A 112 12.864 28.687 25.191 1.00 15.00 H new ATOM 0 HD13 LEU A 112 13.438 30.000 26.247 1.00 15.00 H new ATOM 0 HD21 LEU A 112 11.331 32.072 25.429 1.00 15.00 H new ATOM 0 HD22 LEU A 112 13.076 32.382 25.591 1.00 15.00 H new ATOM 0 HD23 LEU A 112 12.241 32.769 24.067 1.00 15.00 H new ATOM 1174 N PRO A 113 15.264 32.223 20.626 1.00 15.00 N ATOM 1175 CA PRO A 113 16.585 32.450 19.982 1.00 15.00 C ATOM 1176 C PRO A 113 17.394 33.520 20.704 1.00 15.00 C ATOM 1177 O PRO A 113 17.961 34.418 20.081 1.00 15.00 O ATOM 1178 CB PRO A 113 16.194 32.908 18.579 1.00 15.00 C ATOM 1179 CG PRO A 113 14.920 33.667 18.767 1.00 15.00 C ATOM 1180 CD PRO A 113 14.263 33.145 20.050 1.00 15.00 C ATOM 0 HA PRO A 113 17.223 31.566 19.994 1.00 15.00 H new ATOM 0 HB2 PRO A 113 16.968 33.537 18.138 1.00 15.00 H new ATOM 0 HB3 PRO A 113 16.054 32.059 17.910 1.00 15.00 H new ATOM 0 HG2 PRO A 113 15.118 34.736 18.844 1.00 15.00 H new ATOM 0 HG3 PRO A 113 14.259 33.526 17.912 1.00 15.00 H new ATOM 0 HD2 PRO A 113 14.031 33.959 20.737 1.00 15.00 H new ATOM 0 HD3 PRO A 113 13.326 32.631 19.836 1.00 15.00 H new