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 159:sc= 0.213 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 -84:sc= -0.156! USER MOD Single : A 77 SER OG : rot -9:sc= 0.492 USER MOD Single : A 78 LYS NZ :NH3+ 164:sc= -0.0253 (180deg=-0.331) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -1.37 K(o=-1.4,f=-4!) USER MOD Single : A 83 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -76:sc= 1.18 USER MOD Single : A 91 ASN : amide:sc= -2.44 K(o=-2.4,f=-7.2!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 HIS : no HE2:sc= -2.72 K(o=-2.7,f=-5!) USER MOD Single : A 95 TYR OH : rot 125:sc= 0.215 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 143:sc= -0.145 (180deg=-1.01) USER MOD Single : A 102 MET CE :methyl -153:sc= -0.184 (180deg=-1.26) USER MOD Single : A 103 LYS NZ :NH3+ -168:sc= -0.0011 (180deg=-0.137) USER MOD Single : A 108 GLN : amide:sc= -0.151 K(o=-0.15,f=-2.8!) USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 385 N LEU A 63 16.657 27.412 20.836 1.00 15.00 N ATOM 386 CA LEU A 63 16.139 26.484 21.837 1.00 15.00 C ATOM 387 C LEU A 63 14.615 26.467 21.795 1.00 15.00 C ATOM 388 O LEU A 63 13.972 27.507 21.935 1.00 15.00 O ATOM 389 CB LEU A 63 16.612 26.903 23.231 1.00 15.00 C ATOM 390 CG LEU A 63 16.191 25.847 24.255 1.00 15.00 C ATOM 391 CD1 LEU A 63 17.042 24.590 24.072 1.00 15.00 C ATOM 392 CD2 LEU A 63 16.397 26.399 25.667 1.00 15.00 C ATOM 0 HA LEU A 63 16.513 25.484 21.617 1.00 15.00 H new ATOM 0 HB2 LEU A 63 17.696 27.020 23.238 1.00 15.00 H new ATOM 0 HB3 LEU A 63 16.185 27.871 23.495 1.00 15.00 H new ATOM 0 HG LEU A 63 15.140 25.598 24.109 1.00 15.00 H new ATOM 0 HD11 LEU A 63 16.742 23.838 24.802 1.00 15.00 H new ATOM 0 HD12 LEU A 63 16.898 24.197 23.066 1.00 15.00 H new ATOM 0 HD13 LEU A 63 18.093 24.838 24.218 1.00 15.00 H new ATOM 0 HD21 LEU A 63 16.098 25.648 26.398 1.00 15.00 H new ATOM 0 HD22 LEU A 63 17.449 26.647 25.811 1.00 15.00 H new ATOM 0 HD23 LEU A 63 15.792 27.296 25.799 1.00 15.00 H new ATOM 404 N PHE A 64 14.045 25.291 21.558 1.00 15.00 N ATOM 405 CA PHE A 64 12.595 25.148 21.518 1.00 15.00 C ATOM 406 C PHE A 64 12.055 24.665 22.861 1.00 15.00 C ATOM 407 O PHE A 64 12.566 23.703 23.432 1.00 15.00 O ATOM 408 CB PHE A 64 12.198 24.160 20.420 1.00 15.00 C ATOM 409 CG PHE A 64 12.540 24.640 19.029 1.00 15.00 C ATOM 410 CD1 PHE A 64 11.662 25.489 18.347 1.00 15.00 C ATOM 411 CD2 PHE A 64 13.736 24.236 18.423 1.00 15.00 C ATOM 412 CE1 PHE A 64 11.977 25.935 17.058 1.00 15.00 C ATOM 413 CE2 PHE A 64 14.052 24.682 17.134 1.00 15.00 C ATOM 414 CZ PHE A 64 13.173 25.531 16.452 1.00 15.00 C ATOM 0 H PHE A 64 14.562 24.427 21.392 1.00 15.00 H new ATOM 0 HA PHE A 64 12.164 26.126 21.303 1.00 15.00 H new ATOM 0 HB2 PHE A 64 12.697 23.208 20.601 1.00 15.00 H new ATOM 0 HB3 PHE A 64 11.126 23.974 20.479 1.00 15.00 H new ATOM 0 HD1 PHE A 64 10.740 25.801 18.815 1.00 15.00 H new ATOM 0 HD2 PHE A 64 14.414 23.581 18.950 1.00 15.00 H new ATOM 0 HE1 PHE A 64 11.298 26.590 16.532 1.00 15.00 H new ATOM 0 HE2 PHE A 64 14.974 24.371 16.666 1.00 15.00 H new ATOM 0 HZ PHE A 64 13.417 25.875 15.458 1.00 15.00 H new ATOM 424 N TYR A 65 11.019 25.335 23.362 1.00 15.00 N ATOM 425 CA TYR A 65 10.348 24.897 24.583 1.00 15.00 C ATOM 426 C TYR A 65 8.867 24.664 24.300 1.00 15.00 C ATOM 427 O TYR A 65 8.263 25.391 23.514 1.00 15.00 O ATOM 428 CB TYR A 65 10.497 25.952 25.681 1.00 15.00 C ATOM 429 CG TYR A 65 10.076 25.456 27.044 1.00 15.00 C ATOM 430 CD1 TYR A 65 11.012 24.832 27.878 1.00 15.00 C ATOM 431 CD2 TYR A 65 8.753 25.616 27.475 1.00 15.00 C ATOM 432 CE1 TYR A 65 10.627 24.370 29.142 1.00 15.00 C ATOM 433 CE2 TYR A 65 8.367 25.151 28.739 1.00 15.00 C ATOM 434 CZ TYR A 65 9.304 24.528 29.573 1.00 15.00 C ATOM 435 OH TYR A 65 8.928 24.068 30.819 1.00 15.00 O ATOM 0 H TYR A 65 10.628 26.179 22.943 1.00 15.00 H new ATOM 0 HA TYR A 65 10.808 23.968 24.920 1.00 15.00 H new ATOM 0 HB2 TYR A 65 11.537 26.277 25.725 1.00 15.00 H new ATOM 0 HB3 TYR A 65 9.901 26.826 25.419 1.00 15.00 H new ATOM 0 HD1 TYR A 65 12.032 24.707 27.546 1.00 15.00 H new ATOM 0 HD2 TYR A 65 8.030 26.098 26.833 1.00 15.00 H new ATOM 0 HE1 TYR A 65 11.351 23.891 29.785 1.00 15.00 H new ATOM 0 HE2 TYR A 65 7.346 25.273 29.070 1.00 15.00 H new ATOM 0 HH TYR A 65 8.113 24.530 31.106 1.00 15.00 H new ATOM 445 N THR A 66 8.288 23.650 24.937 1.00 15.00 N ATOM 446 CA THR A 66 6.888 23.306 24.695 1.00 15.00 C ATOM 447 C THR A 66 6.015 23.705 25.879 1.00 15.00 C ATOM 448 O THR A 66 6.416 23.573 27.036 1.00 15.00 O ATOM 449 CB THR A 66 6.760 21.799 24.453 1.00 15.00 C ATOM 450 OG1 THR A 66 7.655 21.410 23.420 1.00 15.00 O ATOM 451 CG2 THR A 66 5.326 21.466 24.037 1.00 15.00 C ATOM 0 H THR A 66 8.760 23.056 25.619 1.00 15.00 H new ATOM 0 HA THR A 66 6.550 23.852 23.815 1.00 15.00 H new ATOM 0 HB THR A 66 7.004 21.262 25.370 1.00 15.00 H new ATOM 0 HG1 THR A 66 7.576 20.446 23.265 1.00 15.00 H new ATOM 0 HG21 THR A 66 5.237 20.393 23.865 1.00 15.00 H new ATOM 0 HG22 THR A 66 4.639 21.765 24.828 1.00 15.00 H new ATOM 0 HG23 THR A 66 5.079 22.002 23.121 1.00 15.00 H new ATOM 459 N LEU A 67 4.817 24.195 25.577 1.00 15.00 N ATOM 460 CA LEU A 67 3.869 24.591 26.611 1.00 15.00 C ATOM 461 C LEU A 67 3.055 23.392 27.086 1.00 15.00 C ATOM 462 O LEU A 67 2.458 22.679 26.279 1.00 15.00 O ATOM 463 CB LEU A 67 2.923 25.659 26.055 1.00 15.00 C ATOM 464 CG LEU A 67 3.700 26.949 25.782 1.00 15.00 C ATOM 465 CD1 LEU A 67 2.807 27.927 25.016 1.00 15.00 C ATOM 466 CD2 LEU A 67 4.124 27.581 27.111 1.00 15.00 C ATOM 0 H LEU A 67 4.480 24.327 24.623 1.00 15.00 H new ATOM 0 HA LEU A 67 4.426 24.992 27.458 1.00 15.00 H new ATOM 0 HB2 LEU A 67 2.458 25.303 25.136 1.00 15.00 H new ATOM 0 HB3 LEU A 67 2.119 25.851 26.766 1.00 15.00 H new ATOM 0 HG LEU A 67 4.586 26.722 25.189 1.00 15.00 H new ATOM 0 HD11 LEU A 67 3.359 28.847 24.821 1.00 15.00 H new ATOM 0 HD12 LEU A 67 2.503 27.478 24.070 1.00 15.00 H new ATOM 0 HD13 LEU A 67 1.922 28.154 25.611 1.00 15.00 H new ATOM 0 HD21 LEU A 67 4.677 28.500 26.917 1.00 15.00 H new ATOM 0 HD22 LEU A 67 3.239 27.809 27.704 1.00 15.00 H new ATOM 0 HD23 LEU A 67 4.758 26.884 27.659 1.00 15.00 H new ATOM 478 N LYS A 68 3.006 23.202 28.402 1.00 15.00 N ATOM 479 CA LYS A 68 2.279 22.082 28.991 1.00 15.00 C ATOM 480 C LYS A 68 1.300 22.582 30.048 1.00 15.00 C ATOM 481 O LYS A 68 1.593 23.517 30.794 1.00 15.00 O ATOM 482 CB LYS A 68 3.265 21.100 29.627 1.00 15.00 C ATOM 483 CG LYS A 68 2.511 19.858 30.110 1.00 15.00 C ATOM 484 CD LYS A 68 3.510 18.834 30.653 1.00 15.00 C ATOM 485 CE LYS A 68 4.144 19.371 31.939 1.00 15.00 C ATOM 486 NZ LYS A 68 4.692 18.235 32.734 1.00 15.00 N ATOM 0 H LYS A 68 3.462 23.811 29.081 1.00 15.00 H new ATOM 0 HA LYS A 68 1.720 21.576 28.204 1.00 15.00 H new ATOM 0 HB2 LYS A 68 4.029 20.816 28.903 1.00 15.00 H new ATOM 0 HB3 LYS A 68 3.779 21.574 30.463 1.00 15.00 H new ATOM 0 HG2 LYS A 68 1.797 20.132 30.886 1.00 15.00 H new ATOM 0 HG3 LYS A 68 1.939 19.424 29.289 1.00 15.00 H new ATOM 0 HD2 LYS A 68 3.006 17.888 30.851 1.00 15.00 H new ATOM 0 HD3 LYS A 68 4.282 18.634 29.910 1.00 15.00 H new ATOM 0 HE2 LYS A 68 4.939 20.077 31.698 1.00 15.00 H new ATOM 0 HE3 LYS A 68 3.402 19.914 32.524 1.00 15.00 H new ATOM 0 HZ1 LYS A 68 5.123 18.599 33.608 1.00 15.00 H new ATOM 0 HZ2 LYS A 68 3.923 17.577 32.975 1.00 15.00 H new ATOM 0 HZ3 LYS A 68 5.413 17.736 32.175 1.00 15.00 H new ATOM 500 N THR A 69 0.139 21.937 30.130 1.00 15.00 N ATOM 501 CA THR A 69 -0.899 22.354 31.071 1.00 15.00 C ATOM 502 C THR A 69 -0.349 22.475 32.492 1.00 15.00 C ATOM 503 O THR A 69 0.383 21.605 32.961 1.00 15.00 O ATOM 504 CB THR A 69 -2.051 21.347 31.055 1.00 15.00 C ATOM 505 OG1 THR A 69 -3.038 21.745 31.996 1.00 15.00 O ATOM 506 CG2 THR A 69 -1.527 19.956 31.418 1.00 15.00 C ATOM 0 H THR A 69 -0.107 21.128 29.560 1.00 15.00 H new ATOM 0 HA THR A 69 -1.259 23.334 30.759 1.00 15.00 H new ATOM 0 HB THR A 69 -2.490 21.315 30.058 1.00 15.00 H new ATOM 0 HG1 THR A 69 -3.778 21.102 31.986 1.00 15.00 H new ATOM 0 HG21 THR A 69 -2.351 19.242 31.405 1.00 15.00 H new ATOM 0 HG22 THR A 69 -0.772 19.651 30.694 1.00 15.00 H new ATOM 0 HG23 THR A 69 -1.085 19.982 32.414 1.00 15.00 H new ATOM 514 N GLY A 70 -0.713 23.562 33.167 1.00 15.00 N ATOM 515 CA GLY A 70 -0.252 23.802 34.533 1.00 15.00 C ATOM 516 C GLY A 70 0.754 24.954 34.607 1.00 15.00 C ATOM 517 O GLY A 70 0.850 25.626 35.634 1.00 15.00 O ATOM 0 H GLY A 70 -1.323 24.289 32.793 1.00 15.00 H new ATOM 0 HA2 GLY A 70 -1.108 24.027 35.170 1.00 15.00 H new ATOM 0 HA3 GLY A 70 0.207 22.894 34.925 1.00 15.00 H new ATOM 521 N GLU A 71 1.501 25.189 33.528 1.00 15.00 N ATOM 522 CA GLU A 71 2.484 26.269 33.506 1.00 15.00 C ATOM 523 C GLU A 71 2.006 27.400 32.600 1.00 15.00 C ATOM 524 O GLU A 71 1.338 27.159 31.595 1.00 15.00 O ATOM 525 CB GLU A 71 3.829 25.743 33.004 1.00 15.00 C ATOM 526 CG GLU A 71 4.909 26.808 33.231 1.00 15.00 C ATOM 527 CD GLU A 71 6.267 26.376 32.672 1.00 15.00 C ATOM 528 OE1 GLU A 71 6.356 25.324 32.052 1.00 15.00 O ATOM 529 OE2 GLU A 71 7.219 27.109 32.886 1.00 15.00 O ATOM 0 H GLU A 71 1.444 24.650 32.664 1.00 15.00 H new ATOM 0 HA GLU A 71 2.603 26.652 34.520 1.00 15.00 H new ATOM 0 HB2 GLU A 71 4.092 24.825 33.529 1.00 15.00 H new ATOM 0 HB3 GLU A 71 3.763 25.496 31.944 1.00 15.00 H new ATOM 0 HG2 GLU A 71 4.603 27.741 32.758 1.00 15.00 H new ATOM 0 HG3 GLU A 71 5.003 27.007 34.299 1.00 15.00 H new ATOM 536 N THR A 72 2.351 28.635 32.960 1.00 15.00 N ATOM 537 CA THR A 72 1.919 29.802 32.191 1.00 15.00 C ATOM 538 C THR A 72 3.109 30.503 31.544 1.00 15.00 C ATOM 539 O THR A 72 4.255 30.342 31.970 1.00 15.00 O ATOM 540 CB THR A 72 1.188 30.790 33.104 1.00 15.00 C ATOM 541 OG1 THR A 72 2.085 31.269 34.095 1.00 15.00 O ATOM 542 CG2 THR A 72 0.000 30.098 33.777 1.00 15.00 C ATOM 0 H THR A 72 2.925 28.853 33.774 1.00 15.00 H new ATOM 0 HA THR A 72 1.246 29.456 31.406 1.00 15.00 H new ATOM 0 HB THR A 72 0.822 31.626 32.509 1.00 15.00 H new ATOM 0 HG1 THR A 72 2.120 30.633 34.840 1.00 15.00 H new ATOM 0 HG21 THR A 72 -0.515 30.807 34.425 1.00 15.00 H new ATOM 0 HG22 THR A 72 -0.690 29.736 33.015 1.00 15.00 H new ATOM 0 HG23 THR A 72 0.358 29.257 34.371 1.00 15.00 H new ATOM 550 N VAL A 73 2.829 31.304 30.521 1.00 15.00 N ATOM 551 CA VAL A 73 3.885 32.026 29.817 1.00 15.00 C ATOM 552 C VAL A 73 4.655 32.913 30.795 1.00 15.00 C ATOM 553 O VAL A 73 5.884 32.974 30.758 1.00 15.00 O ATOM 554 CB VAL A 73 3.279 32.881 28.696 1.00 15.00 C ATOM 555 CG1 VAL A 73 4.387 33.597 27.917 1.00 15.00 C ATOM 556 CG2 VAL A 73 2.494 31.984 27.735 1.00 15.00 C ATOM 0 H VAL A 73 1.888 31.469 30.163 1.00 15.00 H new ATOM 0 HA VAL A 73 4.574 31.305 29.378 1.00 15.00 H new ATOM 0 HB VAL A 73 2.615 33.622 29.141 1.00 15.00 H new ATOM 0 HG11 VAL A 73 3.943 34.200 27.125 1.00 15.00 H new ATOM 0 HG12 VAL A 73 4.948 34.242 28.593 1.00 15.00 H new ATOM 0 HG13 VAL A 73 5.059 32.859 27.478 1.00 15.00 H new ATOM 0 HG21 VAL A 73 2.064 32.592 26.939 1.00 15.00 H new ATOM 0 HG22 VAL A 73 3.164 31.241 27.302 1.00 15.00 H new ATOM 0 HG23 VAL A 73 1.695 31.480 28.279 1.00 15.00 H new ATOM 566 N ALA A 74 3.928 33.580 31.686 1.00 15.00 N ATOM 567 CA ALA A 74 4.562 34.461 32.660 1.00 15.00 C ATOM 568 C ALA A 74 5.551 33.684 33.527 1.00 15.00 C ATOM 569 O ALA A 74 6.635 34.177 33.835 1.00 15.00 O ATOM 570 CB ALA A 74 3.499 35.120 33.543 1.00 15.00 C ATOM 0 H ALA A 74 2.912 33.529 31.754 1.00 15.00 H new ATOM 0 HA ALA A 74 5.108 35.234 32.120 1.00 15.00 H new ATOM 0 HB1 ALA A 74 3.983 35.776 34.267 1.00 15.00 H new ATOM 0 HB2 ALA A 74 2.820 35.704 32.921 1.00 15.00 H new ATOM 0 HB3 ALA A 74 2.936 34.350 34.071 1.00 15.00 H new ATOM 576 N ASP A 75 5.189 32.459 33.897 1.00 15.00 N ATOM 577 CA ASP A 75 6.060 31.642 34.735 1.00 15.00 C ATOM 578 C ASP A 75 7.395 31.405 34.037 1.00 15.00 C ATOM 579 O ASP A 75 8.460 31.552 34.638 1.00 15.00 O ATOM 580 CB ASP A 75 5.390 30.298 35.034 1.00 15.00 C ATOM 581 CG ASP A 75 4.124 30.501 35.864 1.00 15.00 C ATOM 582 OD1 ASP A 75 4.080 31.449 36.633 1.00 15.00 O ATOM 583 OD2 ASP A 75 3.217 29.697 35.725 1.00 15.00 O ATOM 0 H ASP A 75 4.310 32.015 33.634 1.00 15.00 H new ATOM 0 HA ASP A 75 6.238 32.171 35.671 1.00 15.00 H new ATOM 0 HB2 ASP A 75 5.142 29.793 34.100 1.00 15.00 H new ATOM 0 HB3 ASP A 75 6.084 29.651 35.571 1.00 15.00 H new ATOM 588 N LEU A 76 7.331 31.069 32.753 1.00 15.00 N ATOM 589 CA LEU A 76 8.546 30.841 31.977 1.00 15.00 C ATOM 590 C LEU A 76 9.424 32.086 31.984 1.00 15.00 C ATOM 591 O LEU A 76 10.638 32.007 32.173 1.00 15.00 O ATOM 592 CB LEU A 76 8.185 30.488 30.533 1.00 15.00 C ATOM 593 CG LEU A 76 7.512 29.115 30.488 1.00 15.00 C ATOM 594 CD1 LEU A 76 6.758 28.961 29.166 1.00 15.00 C ATOM 595 CD2 LEU A 76 8.582 28.025 30.588 1.00 15.00 C ATOM 0 H LEU A 76 6.462 30.949 32.232 1.00 15.00 H new ATOM 0 HA LEU A 76 9.093 30.015 32.431 1.00 15.00 H new ATOM 0 HB2 LEU A 76 7.517 31.244 30.120 1.00 15.00 H new ATOM 0 HB3 LEU A 76 9.083 30.484 29.915 1.00 15.00 H new ATOM 0 HG LEU A 76 6.814 29.023 31.320 1.00 15.00 H new ATOM 0 HD11 LEU A 76 6.278 27.983 29.133 1.00 15.00 H new ATOM 0 HD12 LEU A 76 6.000 29.740 29.087 1.00 15.00 H new ATOM 0 HD13 LEU A 76 7.458 29.050 28.335 1.00 15.00 H new ATOM 0 HD21 LEU A 76 8.107 27.045 30.556 1.00 15.00 H new ATOM 0 HD22 LEU A 76 9.276 28.119 29.753 1.00 15.00 H new ATOM 0 HD23 LEU A 76 9.126 28.134 31.526 1.00 15.00 H new ATOM 607 N SER A 77 8.795 33.241 31.805 1.00 15.00 N ATOM 608 CA SER A 77 9.526 34.500 31.732 1.00 15.00 C ATOM 609 C SER A 77 10.319 34.751 33.010 1.00 15.00 C ATOM 610 O SER A 77 11.472 35.174 32.958 1.00 15.00 O ATOM 611 CB SER A 77 8.542 35.648 31.508 1.00 15.00 C ATOM 612 OG SER A 77 9.263 36.835 31.212 1.00 15.00 O ATOM 0 H SER A 77 7.784 33.332 31.708 1.00 15.00 H new ATOM 0 HA SER A 77 10.228 34.442 30.900 1.00 15.00 H new ATOM 0 HB2 SER A 77 7.865 35.407 30.689 1.00 15.00 H new ATOM 0 HB3 SER A 77 7.928 35.794 32.397 1.00 15.00 H new ATOM 0 HG SER A 77 10.220 36.680 31.354 1.00 15.00 H new ATOM 618 N LYS A 78 9.690 34.497 34.151 1.00 15.00 N ATOM 619 CA LYS A 78 10.329 34.744 35.438 1.00 15.00 C ATOM 620 C LYS A 78 11.559 33.860 35.621 1.00 15.00 C ATOM 621 O LYS A 78 12.622 34.335 36.020 1.00 15.00 O ATOM 622 CB LYS A 78 9.330 34.480 36.568 1.00 15.00 C ATOM 623 CG LYS A 78 9.937 34.881 37.917 1.00 15.00 C ATOM 624 CD LYS A 78 9.946 36.406 38.048 1.00 15.00 C ATOM 625 CE LYS A 78 10.462 36.797 39.433 1.00 15.00 C ATOM 626 NZ LYS A 78 11.884 36.374 39.572 1.00 15.00 N ATOM 0 H LYS A 78 8.743 34.122 34.212 1.00 15.00 H new ATOM 0 HA LYS A 78 10.651 35.785 35.466 1.00 15.00 H new ATOM 0 HB2 LYS A 78 8.414 35.043 36.392 1.00 15.00 H new ATOM 0 HB3 LYS A 78 9.058 33.425 36.583 1.00 15.00 H new ATOM 0 HG2 LYS A 78 9.361 34.440 38.731 1.00 15.00 H new ATOM 0 HG3 LYS A 78 10.953 34.494 37.999 1.00 15.00 H new ATOM 0 HD2 LYS A 78 10.578 36.844 37.276 1.00 15.00 H new ATOM 0 HD3 LYS A 78 8.941 36.800 37.898 1.00 15.00 H new ATOM 0 HE2 LYS A 78 10.377 37.875 39.574 1.00 15.00 H new ATOM 0 HE3 LYS A 78 9.854 36.326 40.205 1.00 15.00 H new ATOM 0 HZ1 LYS A 78 12.315 36.865 40.382 1.00 15.00 H new ATOM 0 HZ2 LYS A 78 11.927 35.347 39.727 1.00 15.00 H new ATOM 0 HZ3 LYS A 78 12.404 36.615 38.704 1.00 15.00 H new ATOM 640 N SER A 79 11.408 32.573 35.327 1.00 15.00 N ATOM 641 CA SER A 79 12.496 31.622 35.529 1.00 15.00 C ATOM 642 C SER A 79 13.711 31.983 34.680 1.00 15.00 C ATOM 643 O SER A 79 14.848 31.929 35.151 1.00 15.00 O ATOM 644 CB SER A 79 12.026 30.211 35.170 1.00 15.00 C ATOM 645 OG SER A 79 13.031 29.276 35.539 1.00 15.00 O ATOM 0 H SER A 79 10.551 32.167 34.951 1.00 15.00 H new ATOM 0 HA SER A 79 12.786 31.660 36.579 1.00 15.00 H new ATOM 0 HB2 SER A 79 11.093 29.983 35.686 1.00 15.00 H new ATOM 0 HB3 SER A 79 11.824 30.143 34.101 1.00 15.00 H new ATOM 0 HG SER A 79 12.734 28.370 35.312 1.00 15.00 H new ATOM 651 N GLN A 80 13.463 32.351 33.428 1.00 15.00 N ATOM 652 CA GLN A 80 14.547 32.688 32.506 1.00 15.00 C ATOM 653 C GLN A 80 15.104 34.104 32.710 1.00 15.00 C ATOM 654 O GLN A 80 16.080 34.475 32.059 1.00 15.00 O ATOM 655 CB GLN A 80 14.050 32.545 31.067 1.00 15.00 C ATOM 656 CG GLN A 80 13.682 31.084 30.800 1.00 15.00 C ATOM 657 CD GLN A 80 13.099 30.921 29.398 1.00 15.00 C ATOM 658 OE1 GLN A 80 12.679 31.896 28.774 1.00 15.00 O ATOM 659 NE2 GLN A 80 13.047 29.731 28.865 1.00 15.00 N ATOM 0 H GLN A 80 12.528 32.424 33.028 1.00 15.00 H new ATOM 0 HA GLN A 80 15.362 31.994 32.712 1.00 15.00 H new ATOM 0 HB2 GLN A 80 13.183 33.186 30.905 1.00 15.00 H new ATOM 0 HB3 GLN A 80 14.822 32.870 30.370 1.00 15.00 H new ATOM 0 HG2 GLN A 80 14.566 30.456 30.907 1.00 15.00 H new ATOM 0 HG3 GLN A 80 12.959 30.745 31.542 1.00 15.00 H new ATOM 0 HE21 GLN A 80 13.395 28.924 29.383 1.00 15.00 H new ATOM 0 HE22 GLN A 80 12.658 29.607 27.930 1.00 15.00 H new ATOM 668 N ASP A 81 14.502 34.894 33.600 1.00 15.00 N ATOM 669 CA ASP A 81 14.962 36.261 33.831 1.00 15.00 C ATOM 670 C ASP A 81 14.878 37.077 32.542 1.00 15.00 C ATOM 671 O ASP A 81 15.776 37.855 32.217 1.00 15.00 O ATOM 672 CB ASP A 81 16.404 36.241 34.351 1.00 15.00 C ATOM 673 CG ASP A 81 16.817 37.630 34.830 1.00 15.00 C ATOM 674 OD1 ASP A 81 15.960 38.359 35.302 1.00 15.00 O ATOM 675 OD2 ASP A 81 17.991 37.945 34.717 1.00 15.00 O ATOM 0 H ASP A 81 13.702 34.613 34.167 1.00 15.00 H new ATOM 0 HA ASP A 81 14.319 36.728 34.577 1.00 15.00 H new ATOM 0 HB2 ASP A 81 16.492 35.526 35.169 1.00 15.00 H new ATOM 0 HB3 ASP A 81 17.077 35.907 33.562 1.00 15.00 H new ATOM 680 N ILE A 82 13.780 36.898 31.813 1.00 15.00 N ATOM 681 CA ILE A 82 13.559 37.617 30.560 1.00 15.00 C ATOM 682 C ILE A 82 12.304 38.477 30.674 1.00 15.00 C ATOM 683 O ILE A 82 11.382 38.143 31.418 1.00 15.00 O ATOM 684 CB ILE A 82 13.410 36.623 29.400 1.00 15.00 C ATOM 685 CG1 ILE A 82 14.653 35.731 29.324 1.00 15.00 C ATOM 686 CG2 ILE A 82 13.263 37.385 28.079 1.00 15.00 C ATOM 687 CD1 ILE A 82 14.426 34.617 28.301 1.00 15.00 C ATOM 0 H ILE A 82 13.027 36.259 32.069 1.00 15.00 H new ATOM 0 HA ILE A 82 14.417 38.260 30.363 1.00 15.00 H new ATOM 0 HB ILE A 82 12.525 36.010 29.570 1.00 15.00 H new ATOM 0 HG12 ILE A 82 15.522 36.325 29.042 1.00 15.00 H new ATOM 0 HG13 ILE A 82 14.865 35.301 30.303 1.00 15.00 H new ATOM 0 HG21 ILE A 82 13.158 36.675 27.259 1.00 15.00 H new ATOM 0 HG22 ILE A 82 12.380 38.022 28.123 1.00 15.00 H new ATOM 0 HG23 ILE A 82 14.147 38.001 27.914 1.00 15.00 H new ATOM 0 HD11 ILE A 82 15.312 33.984 28.249 1.00 15.00 H new ATOM 0 HD12 ILE A 82 13.568 34.016 28.602 1.00 15.00 H new ATOM 0 HD13 ILE A 82 14.236 35.056 27.321 1.00 15.00 H new ATOM 699 N ASN A 83 12.280 39.592 29.951 1.00 15.00 N ATOM 700 CA ASN A 83 11.128 40.487 29.990 1.00 15.00 C ATOM 701 C ASN A 83 10.068 40.041 28.986 1.00 15.00 C ATOM 702 O ASN A 83 10.384 39.657 27.860 1.00 15.00 O ATOM 703 CB ASN A 83 11.566 41.919 29.670 1.00 15.00 C ATOM 704 CG ASN A 83 12.518 42.435 30.745 1.00 15.00 C ATOM 705 OD1 ASN A 83 12.523 41.934 31.870 1.00 15.00 O ATOM 706 ND2 ASN A 83 13.332 43.416 30.463 1.00 15.00 N ATOM 0 H ASN A 83 13.036 39.896 29.337 1.00 15.00 H new ATOM 0 HA ASN A 83 10.701 40.454 30.992 1.00 15.00 H new ATOM 0 HB2 ASN A 83 12.056 41.948 28.697 1.00 15.00 H new ATOM 0 HB3 ASN A 83 10.693 42.568 29.606 1.00 15.00 H new ATOM 0 HD21 ASN A 83 13.973 43.768 31.175 1.00 15.00 H new ATOM 0 HD22 ASN A 83 13.327 43.831 29.531 1.00 15.00 H new ATOM 713 N LEU A 84 8.806 40.104 29.396 1.00 15.00 N ATOM 714 CA LEU A 84 7.712 39.684 28.528 1.00 15.00 C ATOM 715 C LEU A 84 7.736 40.454 27.209 1.00 15.00 C ATOM 716 O LEU A 84 7.467 39.887 26.150 1.00 15.00 O ATOM 717 CB LEU A 84 6.367 39.900 29.229 1.00 15.00 C ATOM 718 CG LEU A 84 6.319 39.096 30.532 1.00 15.00 C ATOM 719 CD1 LEU A 84 5.020 39.412 31.279 1.00 15.00 C ATOM 720 CD2 LEU A 84 6.363 37.599 30.216 1.00 15.00 C ATOM 0 H LEU A 84 8.517 40.439 30.315 1.00 15.00 H new ATOM 0 HA LEU A 84 7.839 38.623 28.313 1.00 15.00 H new ATOM 0 HB2 LEU A 84 6.224 40.960 29.441 1.00 15.00 H new ATOM 0 HB3 LEU A 84 5.552 39.593 28.573 1.00 15.00 H new ATOM 0 HG LEU A 84 7.175 39.364 31.151 1.00 15.00 H new ATOM 0 HD11 LEU A 84 4.985 38.840 32.206 1.00 15.00 H new ATOM 0 HD12 LEU A 84 4.982 40.477 31.508 1.00 15.00 H new ATOM 0 HD13 LEU A 84 4.167 39.144 30.655 1.00 15.00 H new ATOM 0 HD21 LEU A 84 6.329 37.030 31.145 1.00 15.00 H new ATOM 0 HD22 LEU A 84 5.507 37.333 29.596 1.00 15.00 H new ATOM 0 HD23 LEU A 84 7.284 37.367 29.682 1.00 15.00 H new ATOM 732 N SER A 85 8.082 41.737 27.270 1.00 15.00 N ATOM 733 CA SER A 85 8.132 42.556 26.063 1.00 15.00 C ATOM 734 C SER A 85 9.123 41.968 25.063 1.00 15.00 C ATOM 735 O SER A 85 8.830 41.858 23.873 1.00 15.00 O ATOM 736 CB SER A 85 8.549 43.984 26.418 1.00 15.00 C ATOM 737 OG SER A 85 8.406 44.810 25.269 1.00 15.00 O ATOM 0 H SER A 85 8.329 42.227 28.130 1.00 15.00 H new ATOM 0 HA SER A 85 7.140 42.570 25.612 1.00 15.00 H new ATOM 0 HB2 SER A 85 7.933 44.364 27.233 1.00 15.00 H new ATOM 0 HB3 SER A 85 9.582 43.999 26.765 1.00 15.00 H new ATOM 0 HG SER A 85 8.670 45.727 25.491 1.00 15.00 H new ATOM 743 N THR A 86 10.286 41.561 25.559 1.00 15.00 N ATOM 744 CA THR A 86 11.313 40.991 24.692 1.00 15.00 C ATOM 745 C THR A 86 10.808 39.714 24.026 1.00 15.00 C ATOM 746 O THR A 86 10.993 39.506 22.826 1.00 15.00 O ATOM 747 CB THR A 86 12.572 40.683 25.506 1.00 15.00 C ATOM 748 OG1 THR A 86 12.980 41.852 26.202 1.00 15.00 O ATOM 749 CG2 THR A 86 13.693 40.228 24.569 1.00 15.00 C ATOM 0 H THR A 86 10.541 41.614 26.545 1.00 15.00 H new ATOM 0 HA THR A 86 11.551 41.719 23.917 1.00 15.00 H new ATOM 0 HB THR A 86 12.357 39.889 26.221 1.00 15.00 H new ATOM 0 HG1 THR A 86 13.785 41.657 26.725 1.00 15.00 H new ATOM 0 HG21 THR A 86 14.588 40.010 25.152 1.00 15.00 H new ATOM 0 HG22 THR A 86 13.379 39.331 24.035 1.00 15.00 H new ATOM 0 HG23 THR A 86 13.911 41.019 23.852 1.00 15.00 H new ATOM 757 N ILE A 87 10.135 38.871 24.803 1.00 15.00 N ATOM 758 CA ILE A 87 9.639 37.600 24.285 1.00 15.00 C ATOM 759 C ILE A 87 8.716 37.846 23.094 1.00 15.00 C ATOM 760 O ILE A 87 8.829 37.189 22.062 1.00 15.00 O ATOM 761 CB ILE A 87 8.890 36.837 25.386 1.00 15.00 C ATOM 762 CG1 ILE A 87 9.824 36.616 26.581 1.00 15.00 C ATOM 763 CG2 ILE A 87 8.427 35.474 24.858 1.00 15.00 C ATOM 764 CD1 ILE A 87 9.042 35.998 27.742 1.00 15.00 C ATOM 0 H ILE A 87 9.922 39.042 25.786 1.00 15.00 H new ATOM 0 HA ILE A 87 10.486 36.998 23.956 1.00 15.00 H new ATOM 0 HB ILE A 87 8.023 37.421 25.694 1.00 15.00 H new ATOM 0 HG12 ILE A 87 10.647 35.961 26.295 1.00 15.00 H new ATOM 0 HG13 ILE A 87 10.264 37.564 26.891 1.00 15.00 H new ATOM 0 HG21 ILE A 87 7.896 34.940 25.646 1.00 15.00 H new ATOM 0 HG22 ILE A 87 7.761 35.620 24.007 1.00 15.00 H new ATOM 0 HG23 ILE A 87 9.294 34.892 24.545 1.00 15.00 H new ATOM 0 HD11 ILE A 87 9.710 35.843 28.589 1.00 15.00 H new ATOM 0 HD12 ILE A 87 8.235 36.669 28.035 1.00 15.00 H new ATOM 0 HD13 ILE A 87 8.623 35.041 27.430 1.00 15.00 H new ATOM 776 N TRP A 88 7.815 38.810 23.243 1.00 15.00 N ATOM 777 CA TRP A 88 6.885 39.139 22.168 1.00 15.00 C ATOM 778 C TRP A 88 7.625 39.591 20.912 1.00 15.00 C ATOM 779 O TRP A 88 7.333 39.126 19.812 1.00 15.00 O ATOM 780 CB TRP A 88 5.925 40.240 22.616 1.00 15.00 C ATOM 781 CG TRP A 88 4.893 40.575 21.586 1.00 15.00 C ATOM 782 CD1 TRP A 88 3.798 39.830 21.314 1.00 15.00 C ATOM 783 CD2 TRP A 88 4.842 41.723 20.689 1.00 15.00 C ATOM 784 NE1 TRP A 88 3.077 40.445 20.307 1.00 15.00 N ATOM 785 CE2 TRP A 88 3.679 41.615 19.888 1.00 15.00 C ATOM 786 CE3 TRP A 88 5.681 42.833 20.493 1.00 15.00 C ATOM 787 CZ2 TRP A 88 3.361 42.577 18.926 1.00 15.00 C ATOM 788 CZ3 TRP A 88 5.364 43.802 19.528 1.00 15.00 C ATOM 789 CH2 TRP A 88 4.209 43.675 18.747 1.00 15.00 C ATOM 0 H TRP A 88 7.708 39.372 24.087 1.00 15.00 H new ATOM 0 HA TRP A 88 6.322 38.236 21.932 1.00 15.00 H new ATOM 0 HB2 TRP A 88 5.426 39.927 23.533 1.00 15.00 H new ATOM 0 HB3 TRP A 88 6.496 41.137 22.854 1.00 15.00 H new ATOM 0 HD1 TRP A 88 3.530 38.905 21.803 1.00 15.00 H new ATOM 0 HE1 TRP A 88 2.207 40.079 19.921 1.00 15.00 H new ATOM 0 HE3 TRP A 88 6.575 42.941 21.089 1.00 15.00 H new ATOM 0 HZ2 TRP A 88 2.469 42.474 18.326 1.00 15.00 H new ATOM 0 HZ3 TRP A 88 6.016 44.652 19.387 1.00 15.00 H new ATOM 0 HH2 TRP A 88 3.973 44.425 18.006 1.00 15.00 H new ATOM 800 N SER A 89 8.609 40.471 21.077 1.00 15.00 N ATOM 801 CA SER A 89 9.323 41.024 19.927 1.00 15.00 C ATOM 802 C SER A 89 9.888 39.918 19.038 1.00 15.00 C ATOM 803 O SER A 89 9.866 40.032 17.812 1.00 15.00 O ATOM 804 CB SER A 89 10.462 41.925 20.405 1.00 15.00 C ATOM 805 OG SER A 89 11.484 41.122 20.979 1.00 15.00 O ATOM 0 H SER A 89 8.928 40.814 21.983 1.00 15.00 H new ATOM 0 HA SER A 89 8.612 41.606 19.340 1.00 15.00 H new ATOM 0 HB2 SER A 89 10.861 42.501 19.570 1.00 15.00 H new ATOM 0 HB3 SER A 89 10.092 42.642 21.138 1.00 15.00 H new ATOM 0 HG SER A 89 11.202 40.820 21.868 1.00 15.00 H new ATOM 811 N LEU A 90 10.397 38.857 19.654 1.00 15.00 N ATOM 812 CA LEU A 90 10.923 37.728 18.889 1.00 15.00 C ATOM 813 C LEU A 90 9.798 36.895 18.274 1.00 15.00 C ATOM 814 O LEU A 90 9.796 36.623 17.072 1.00 15.00 O ATOM 815 CB LEU A 90 11.773 36.837 19.798 1.00 15.00 C ATOM 816 CG LEU A 90 12.936 37.648 20.377 1.00 15.00 C ATOM 817 CD1 LEU A 90 13.688 36.800 21.404 1.00 15.00 C ATOM 818 CD2 LEU A 90 13.896 38.040 19.251 1.00 15.00 C ATOM 0 H LEU A 90 10.457 38.753 20.667 1.00 15.00 H new ATOM 0 HA LEU A 90 11.534 38.129 18.080 1.00 15.00 H new ATOM 0 HB2 LEU A 90 11.160 36.435 20.605 1.00 15.00 H new ATOM 0 HB3 LEU A 90 12.156 35.986 19.234 1.00 15.00 H new ATOM 0 HG LEU A 90 12.546 38.546 20.857 1.00 15.00 H new ATOM 0 HD11 LEU A 90 14.516 37.377 21.816 1.00 15.00 H new ATOM 0 HD12 LEU A 90 13.009 36.515 22.207 1.00 15.00 H new ATOM 0 HD13 LEU A 90 14.076 35.903 20.921 1.00 15.00 H new ATOM 0 HD21 LEU A 90 14.724 38.617 19.663 1.00 15.00 H new ATOM 0 HD22 LEU A 90 14.283 37.140 18.773 1.00 15.00 H new ATOM 0 HD23 LEU A 90 13.365 38.642 18.514 1.00 15.00 H new ATOM 830 N ASN A 91 8.826 36.512 19.095 1.00 15.00 N ATOM 831 CA ASN A 91 7.769 35.603 18.651 1.00 15.00 C ATOM 832 C ASN A 91 6.562 36.320 18.038 1.00 15.00 C ATOM 833 O ASN A 91 5.521 35.698 17.827 1.00 15.00 O ATOM 834 CB ASN A 91 7.304 34.746 19.830 1.00 15.00 C ATOM 835 CG ASN A 91 8.446 33.852 20.299 1.00 15.00 C ATOM 836 OD1 ASN A 91 8.371 32.629 20.180 1.00 15.00 O ATOM 837 ND2 ASN A 91 9.511 34.389 20.828 1.00 15.00 N ATOM 0 H ASN A 91 8.746 36.813 20.066 1.00 15.00 H new ATOM 0 HA ASN A 91 8.201 34.985 17.864 1.00 15.00 H new ATOM 0 HB2 ASN A 91 6.971 35.385 20.648 1.00 15.00 H new ATOM 0 HB3 ASN A 91 6.450 34.136 19.534 1.00 15.00 H new ATOM 0 HD21 ASN A 91 10.279 33.796 21.142 1.00 15.00 H new ATOM 0 HD22 ASN A 91 9.576 35.402 20.928 1.00 15.00 H new ATOM 844 N LYS A 92 6.676 37.619 17.758 1.00 15.00 N ATOM 845 CA LYS A 92 5.594 38.351 17.100 1.00 15.00 C ATOM 846 C LYS A 92 5.107 37.643 15.832 1.00 15.00 C ATOM 847 O LYS A 92 3.952 37.804 15.437 1.00 15.00 O ATOM 848 CB LYS A 92 6.051 39.771 16.745 1.00 15.00 C ATOM 849 CG LYS A 92 7.251 39.711 15.796 1.00 15.00 C ATOM 850 CD LYS A 92 7.596 41.117 15.296 1.00 15.00 C ATOM 851 CE LYS A 92 8.303 41.914 16.396 1.00 15.00 C ATOM 852 NZ LYS A 92 8.033 43.367 16.206 1.00 15.00 N ATOM 0 H LYS A 92 7.499 38.181 17.974 1.00 15.00 H new ATOM 0 HA LYS A 92 4.763 38.393 17.804 1.00 15.00 H new ATOM 0 HB2 LYS A 92 5.233 40.319 16.277 1.00 15.00 H new ATOM 0 HB3 LYS A 92 6.320 40.313 17.652 1.00 15.00 H new ATOM 0 HG2 LYS A 92 8.110 39.278 16.309 1.00 15.00 H new ATOM 0 HG3 LYS A 92 7.024 39.061 14.951 1.00 15.00 H new ATOM 0 HD2 LYS A 92 8.237 41.051 14.417 1.00 15.00 H new ATOM 0 HD3 LYS A 92 6.687 41.635 14.990 1.00 15.00 H new ATOM 0 HE2 LYS A 92 7.951 41.593 17.376 1.00 15.00 H new ATOM 0 HE3 LYS A 92 9.376 41.725 16.365 1.00 15.00 H new ATOM 0 HZ1 LYS A 92 8.513 43.910 16.952 1.00 15.00 H new ATOM 0 HZ2 LYS A 92 8.389 43.668 15.276 1.00 15.00 H new ATOM 0 HZ3 LYS A 92 7.009 43.539 16.257 1.00 15.00 H new ATOM 866 N HIS A 93 5.988 36.882 15.182 1.00 15.00 N ATOM 867 CA HIS A 93 5.608 36.164 13.972 1.00 15.00 C ATOM 868 C HIS A 93 4.706 34.972 14.295 1.00 15.00 C ATOM 869 O HIS A 93 3.786 34.661 13.538 1.00 15.00 O ATOM 870 CB HIS A 93 6.859 35.705 13.216 1.00 15.00 C ATOM 871 CG HIS A 93 7.630 34.594 13.880 1.00 15.00 C ATOM 872 ND1 HIS A 93 8.580 34.824 14.866 1.00 15.00 N ATOM 873 CD2 HIS A 93 7.625 33.235 13.679 1.00 15.00 C ATOM 874 CE1 HIS A 93 9.102 33.633 15.211 1.00 15.00 C ATOM 875 NE2 HIS A 93 8.557 32.631 14.520 1.00 15.00 N ATOM 0 H HIS A 93 6.957 36.750 15.471 1.00 15.00 H new ATOM 0 HA HIS A 93 5.042 36.845 13.336 1.00 15.00 H new ATOM 0 HB2 HIS A 93 6.563 35.377 12.219 1.00 15.00 H new ATOM 0 HB3 HIS A 93 7.522 36.561 13.087 1.00 15.00 H new ATOM 0 HD1 HIS A 93 8.836 35.731 15.257 1.00 15.00 H new ATOM 0 HD2 HIS A 93 6.994 32.713 12.975 1.00 15.00 H new ATOM 0 HE1 HIS A 93 9.871 33.504 15.958 1.00 15.00 H new ATOM 883 N LEU A 94 4.968 34.308 15.419 1.00 15.00 N ATOM 884 CA LEU A 94 4.170 33.151 15.816 1.00 15.00 C ATOM 885 C LEU A 94 2.767 33.563 16.258 1.00 15.00 C ATOM 886 O LEU A 94 1.782 32.924 15.889 1.00 15.00 O ATOM 887 CB LEU A 94 4.857 32.412 16.968 1.00 15.00 C ATOM 888 CG LEU A 94 6.262 31.976 16.548 1.00 15.00 C ATOM 889 CD1 LEU A 94 6.972 31.327 17.738 1.00 15.00 C ATOM 890 CD2 LEU A 94 6.172 30.960 15.406 1.00 15.00 C ATOM 0 H LEU A 94 5.720 34.549 16.065 1.00 15.00 H new ATOM 0 HA LEU A 94 4.084 32.498 14.948 1.00 15.00 H new ATOM 0 HB2 LEU A 94 4.915 33.060 17.843 1.00 15.00 H new ATOM 0 HB3 LEU A 94 4.268 31.541 17.255 1.00 15.00 H new ATOM 0 HG LEU A 94 6.821 32.850 16.214 1.00 15.00 H new ATOM 0 HD11 LEU A 94 7.973 31.016 17.439 1.00 15.00 H new ATOM 0 HD12 LEU A 94 7.044 32.045 18.555 1.00 15.00 H new ATOM 0 HD13 LEU A 94 6.406 30.457 18.069 1.00 15.00 H new ATOM 0 HD21 LEU A 94 7.176 30.654 15.112 1.00 15.00 H new ATOM 0 HD22 LEU A 94 5.609 30.088 15.739 1.00 15.00 H new ATOM 0 HD23 LEU A 94 5.667 31.414 14.554 1.00 15.00 H new ATOM 902 N TYR A 95 2.680 34.632 17.047 1.00 15.00 N ATOM 903 CA TYR A 95 1.393 35.081 17.581 1.00 15.00 C ATOM 904 C TYR A 95 1.022 36.451 17.024 1.00 15.00 C ATOM 905 O TYR A 95 1.888 37.285 16.763 1.00 15.00 O ATOM 906 CB TYR A 95 1.469 35.156 19.106 1.00 15.00 C ATOM 907 CG TYR A 95 1.896 33.857 19.748 1.00 15.00 C ATOM 908 CD1 TYR A 95 0.962 32.832 19.942 1.00 15.00 C ATOM 909 CD2 TYR A 95 3.225 33.677 20.150 1.00 15.00 C ATOM 910 CE1 TYR A 95 1.355 31.628 20.536 1.00 15.00 C ATOM 911 CE2 TYR A 95 3.619 32.472 20.746 1.00 15.00 C ATOM 912 CZ TYR A 95 2.685 31.448 20.938 1.00 15.00 C ATOM 913 OH TYR A 95 3.069 30.261 21.530 1.00 15.00 O ATOM 0 H TYR A 95 3.478 35.201 17.330 1.00 15.00 H new ATOM 0 HA TYR A 95 0.627 34.365 17.282 1.00 15.00 H new ATOM 0 HB2 TYR A 95 2.170 35.941 19.390 1.00 15.00 H new ATOM 0 HB3 TYR A 95 0.493 35.443 19.498 1.00 15.00 H new ATOM 0 HD1 TYR A 95 -0.063 32.971 19.633 1.00 15.00 H new ATOM 0 HD2 TYR A 95 3.946 34.467 20.001 1.00 15.00 H new ATOM 0 HE1 TYR A 95 0.634 30.838 20.685 1.00 15.00 H new ATOM 0 HE2 TYR A 95 4.644 32.333 21.057 1.00 15.00 H new ATOM 0 HH TYR A 95 3.822 29.877 21.035 1.00 15.00 H new ATOM 923 N SER A 96 -0.277 36.681 16.861 1.00 15.00 N ATOM 924 CA SER A 96 -0.757 37.923 16.264 1.00 15.00 C ATOM 925 C SER A 96 -0.748 39.075 17.265 1.00 15.00 C ATOM 926 O SER A 96 -0.414 40.207 16.911 1.00 15.00 O ATOM 927 CB SER A 96 -2.176 37.728 15.732 1.00 15.00 C ATOM 928 OG SER A 96 -2.185 36.641 14.814 1.00 15.00 O ATOM 0 H SER A 96 -1.012 36.028 17.132 1.00 15.00 H new ATOM 0 HA SER A 96 -0.081 38.178 15.448 1.00 15.00 H new ATOM 0 HB2 SER A 96 -2.862 37.530 16.555 1.00 15.00 H new ATOM 0 HB3 SER A 96 -2.521 38.638 15.241 1.00 15.00 H new ATOM 0 HG SER A 96 -3.094 36.510 14.471 1.00 15.00 H new ATOM 934 N SER A 97 -1.113 38.789 18.514 1.00 15.00 N ATOM 935 CA SER A 97 -1.253 39.848 19.510 1.00 15.00 C ATOM 936 C SER A 97 -1.024 39.325 20.924 1.00 15.00 C ATOM 937 O SER A 97 -0.935 38.117 21.149 1.00 15.00 O ATOM 938 CB SER A 97 -2.650 40.463 19.417 1.00 15.00 C ATOM 939 OG SER A 97 -3.606 39.523 19.891 1.00 15.00 O ATOM 0 H SER A 97 -1.314 37.849 18.856 1.00 15.00 H new ATOM 0 HA SER A 97 -0.496 40.603 19.301 1.00 15.00 H new ATOM 0 HB2 SER A 97 -2.698 41.378 20.008 1.00 15.00 H new ATOM 0 HB3 SER A 97 -2.872 40.737 18.386 1.00 15.00 H new ATOM 0 HG SER A 97 -4.503 39.913 19.835 1.00 15.00 H new ATOM 945 N GLU A 98 -0.928 40.253 21.872 1.00 15.00 N ATOM 946 CA GLU A 98 -0.713 39.902 23.272 1.00 15.00 C ATOM 947 C GLU A 98 -1.858 39.050 23.817 1.00 15.00 C ATOM 948 O GLU A 98 -1.639 38.153 24.629 1.00 15.00 O ATOM 949 CB GLU A 98 -0.598 41.174 24.114 1.00 15.00 C ATOM 950 CG GLU A 98 0.634 41.977 23.683 1.00 15.00 C ATOM 951 CD GLU A 98 1.928 41.195 23.925 1.00 15.00 C ATOM 952 OE1 GLU A 98 1.908 40.231 24.676 1.00 15.00 O ATOM 953 OE2 GLU A 98 2.934 41.583 23.356 1.00 15.00 O ATOM 0 H GLU A 98 -0.996 41.255 21.695 1.00 15.00 H new ATOM 0 HA GLU A 98 0.210 39.324 23.331 1.00 15.00 H new ATOM 0 HB2 GLU A 98 -1.497 41.780 23.997 1.00 15.00 H new ATOM 0 HB3 GLU A 98 -0.523 40.915 25.170 1.00 15.00 H new ATOM 0 HG2 GLU A 98 0.553 42.230 22.626 1.00 15.00 H new ATOM 0 HG3 GLU A 98 0.668 42.917 24.234 1.00 15.00 H new ATOM 960 N SER A 99 -3.080 39.328 23.368 1.00 15.00 N ATOM 961 CA SER A 99 -4.249 38.619 23.885 1.00 15.00 C ATOM 962 C SER A 99 -4.091 37.111 23.712 1.00 15.00 C ATOM 963 O SER A 99 -4.343 36.339 24.636 1.00 15.00 O ATOM 964 CB SER A 99 -5.507 39.088 23.154 1.00 15.00 C ATOM 965 OG SER A 99 -6.650 38.531 23.788 1.00 15.00 O ATOM 0 H SER A 99 -3.286 40.030 22.657 1.00 15.00 H new ATOM 0 HA SER A 99 -4.339 38.840 24.949 1.00 15.00 H new ATOM 0 HB2 SER A 99 -5.564 40.176 23.165 1.00 15.00 H new ATOM 0 HB3 SER A 99 -5.470 38.781 22.109 1.00 15.00 H new ATOM 0 HG SER A 99 -7.460 38.830 23.324 1.00 15.00 H new ATOM 971 N GLU A 100 -3.636 36.700 22.535 1.00 15.00 N ATOM 972 CA GLU A 100 -3.456 35.279 22.254 1.00 15.00 C ATOM 973 C GLU A 100 -2.430 34.651 23.195 1.00 15.00 C ATOM 974 O GLU A 100 -2.571 33.491 23.583 1.00 15.00 O ATOM 975 CB GLU A 100 -3.026 35.091 20.798 1.00 15.00 C ATOM 976 CG GLU A 100 -4.175 35.523 19.878 1.00 15.00 C ATOM 977 CD GLU A 100 -3.835 35.301 18.403 1.00 15.00 C ATOM 978 OE1 GLU A 100 -2.670 35.115 18.083 1.00 15.00 O ATOM 979 OE2 GLU A 100 -4.752 35.357 17.600 1.00 15.00 O ATOM 0 H GLU A 100 -3.387 37.322 21.766 1.00 15.00 H new ATOM 0 HA GLU A 100 -4.408 34.775 22.418 1.00 15.00 H new ATOM 0 HB2 GLU A 100 -2.134 35.682 20.590 1.00 15.00 H new ATOM 0 HB3 GLU A 100 -2.768 34.048 20.613 1.00 15.00 H new ATOM 0 HG2 GLU A 100 -5.075 34.962 20.132 1.00 15.00 H new ATOM 0 HG3 GLU A 100 -4.398 36.577 20.045 1.00 15.00 H new ATOM 986 N MET A 101 -1.400 35.412 23.562 1.00 15.00 N ATOM 987 CA MET A 101 -0.380 34.903 24.474 1.00 15.00 C ATOM 988 C MET A 101 -0.972 34.633 25.855 1.00 15.00 C ATOM 989 O MET A 101 -0.777 33.561 26.426 1.00 15.00 O ATOM 990 CB MET A 101 0.761 35.914 24.598 1.00 15.00 C ATOM 991 CG MET A 101 1.453 36.075 23.243 1.00 15.00 C ATOM 992 SD MET A 101 2.936 37.094 23.441 1.00 15.00 S ATOM 993 CE MET A 101 3.947 35.864 24.302 1.00 15.00 C ATOM 0 H MET A 101 -1.251 36.370 23.246 1.00 15.00 H new ATOM 0 HA MET A 101 0.003 33.967 24.068 1.00 15.00 H new ATOM 0 HB2 MET A 101 0.374 36.875 24.936 1.00 15.00 H new ATOM 0 HB3 MET A 101 1.478 35.578 25.347 1.00 15.00 H new ATOM 0 HG2 MET A 101 1.721 35.098 22.841 1.00 15.00 H new ATOM 0 HG3 MET A 101 0.773 36.538 22.528 1.00 15.00 H new ATOM 0 HE1 MET A 101 4.983 35.949 23.972 1.00 15.00 H new ATOM 0 HE2 MET A 101 3.893 36.037 25.377 1.00 15.00 H new ATOM 0 HE3 MET A 101 3.575 34.865 24.076 1.00 15.00 H new ATOM 1003 N MET A 102 -1.746 35.585 26.366 1.00 15.00 N ATOM 1004 CA MET A 102 -2.346 35.441 27.691 1.00 15.00 C ATOM 1005 C MET A 102 -3.253 34.212 27.753 1.00 15.00 C ATOM 1006 O MET A 102 -3.298 33.516 28.766 1.00 15.00 O ATOM 1007 CB MET A 102 -3.167 36.690 28.027 1.00 15.00 C ATOM 1008 CG MET A 102 -2.271 37.934 28.055 1.00 15.00 C ATOM 1009 SD MET A 102 -0.967 37.758 29.301 1.00 15.00 S ATOM 1010 CE MET A 102 -2.042 37.672 30.755 1.00 15.00 C ATOM 0 H MET A 102 -1.972 36.458 25.889 1.00 15.00 H new ATOM 0 HA MET A 102 -1.541 35.318 28.415 1.00 15.00 H new ATOM 0 HB2 MET A 102 -3.958 36.821 27.288 1.00 15.00 H new ATOM 0 HB3 MET A 102 -3.652 36.563 28.995 1.00 15.00 H new ATOM 0 HG2 MET A 102 -1.824 38.088 27.073 1.00 15.00 H new ATOM 0 HG3 MET A 102 -2.872 38.816 28.273 1.00 15.00 H new ATOM 0 HE1 MET A 102 -1.501 38.035 31.629 1.00 15.00 H new ATOM 0 HE2 MET A 102 -2.925 38.290 30.592 1.00 15.00 H new ATOM 0 HE3 MET A 102 -2.348 36.639 30.921 1.00 15.00 H new ATOM 1020 N LYS A 103 -3.972 33.953 26.666 1.00 15.00 N ATOM 1021 CA LYS A 103 -4.889 32.814 26.611 1.00 15.00 C ATOM 1022 C LYS A 103 -4.219 31.543 26.070 1.00 15.00 C ATOM 1023 O LYS A 103 -4.911 30.601 25.683 1.00 15.00 O ATOM 1024 CB LYS A 103 -6.083 33.165 25.722 1.00 15.00 C ATOM 1025 CG LYS A 103 -6.861 34.325 26.346 1.00 15.00 C ATOM 1026 CD LYS A 103 -8.114 34.607 25.515 1.00 15.00 C ATOM 1027 CE LYS A 103 -8.824 35.847 26.064 1.00 15.00 C ATOM 1028 NZ LYS A 103 -9.419 35.531 27.394 1.00 15.00 N ATOM 0 H LYS A 103 -3.940 34.512 25.813 1.00 15.00 H new ATOM 0 HA LYS A 103 -5.211 32.609 27.632 1.00 15.00 H new ATOM 0 HB2 LYS A 103 -5.739 33.439 24.725 1.00 15.00 H new ATOM 0 HB3 LYS A 103 -6.733 32.297 25.608 1.00 15.00 H new ATOM 0 HG2 LYS A 103 -7.139 34.080 27.371 1.00 15.00 H new ATOM 0 HG3 LYS A 103 -6.234 35.215 26.390 1.00 15.00 H new ATOM 0 HD2 LYS A 103 -7.843 34.763 24.471 1.00 15.00 H new ATOM 0 HD3 LYS A 103 -8.784 33.748 25.546 1.00 15.00 H new ATOM 0 HE2 LYS A 103 -8.118 36.672 26.156 1.00 15.00 H new ATOM 0 HE3 LYS A 103 -9.603 36.169 25.373 1.00 15.00 H new ATOM 0 HZ1 LYS A 103 -10.067 36.295 27.675 1.00 15.00 H new ATOM 0 HZ2 LYS A 103 -9.944 34.635 27.335 1.00 15.00 H new ATOM 0 HZ3 LYS A 103 -8.661 35.442 28.101 1.00 15.00 H new ATOM 1042 N ALA A 104 -2.885 31.504 26.037 1.00 15.00 N ATOM 1043 CA ALA A 104 -2.165 30.343 25.521 1.00 15.00 C ATOM 1044 C ALA A 104 -2.625 29.056 26.199 1.00 15.00 C ATOM 1045 O ALA A 104 -2.980 29.051 27.377 1.00 15.00 O ATOM 1046 CB ALA A 104 -0.663 30.526 25.744 1.00 15.00 C ATOM 0 H ALA A 104 -2.285 32.262 26.361 1.00 15.00 H new ATOM 0 HA ALA A 104 -2.377 30.263 24.455 1.00 15.00 H new ATOM 0 HB1 ALA A 104 -0.129 29.658 25.358 1.00 15.00 H new ATOM 0 HB2 ALA A 104 -0.324 31.421 25.223 1.00 15.00 H new ATOM 0 HB3 ALA A 104 -0.463 30.629 26.811 1.00 15.00 H new ATOM 1052 N ALA A 105 -2.614 27.966 25.438 1.00 15.00 N ATOM 1053 CA ALA A 105 -3.040 26.667 25.950 1.00 15.00 C ATOM 1054 C ALA A 105 -1.996 25.592 25.632 1.00 15.00 C ATOM 1055 O ALA A 105 -1.107 25.826 24.813 1.00 15.00 O ATOM 1056 CB ALA A 105 -4.381 26.277 25.324 1.00 15.00 C ATOM 0 H ALA A 105 -2.314 27.956 24.463 1.00 15.00 H new ATOM 0 HA ALA A 105 -3.149 26.742 27.032 1.00 15.00 H new ATOM 0 HB1 ALA A 105 -4.694 25.307 25.710 1.00 15.00 H new ATOM 0 HB2 ALA A 105 -5.131 27.027 25.575 1.00 15.00 H new ATOM 0 HB3 ALA A 105 -4.274 26.219 24.241 1.00 15.00 H new ATOM 1062 N PRO A 106 -2.074 24.430 26.249 1.00 15.00 N ATOM 1063 CA PRO A 106 -1.081 23.342 25.993 1.00 15.00 C ATOM 1064 C PRO A 106 -1.005 22.954 24.519 1.00 15.00 C ATOM 1065 O PRO A 106 -2.008 22.992 23.804 1.00 15.00 O ATOM 1066 CB PRO A 106 -1.570 22.161 26.840 1.00 15.00 C ATOM 1067 CG PRO A 106 -2.458 22.755 27.876 1.00 15.00 C ATOM 1068 CD PRO A 106 -3.080 23.995 27.241 1.00 15.00 C ATOM 0 HA PRO A 106 -0.073 23.663 26.255 1.00 15.00 H new ATOM 0 HB2 PRO A 106 -2.109 21.437 26.229 1.00 15.00 H new ATOM 0 HB3 PRO A 106 -0.733 21.633 27.297 1.00 15.00 H new ATOM 0 HG2 PRO A 106 -3.228 22.046 28.182 1.00 15.00 H new ATOM 0 HG3 PRO A 106 -1.892 23.017 28.770 1.00 15.00 H new ATOM 0 HD2 PRO A 106 -4.034 23.765 26.767 1.00 15.00 H new ATOM 0 HD3 PRO A 106 -3.271 24.771 27.983 1.00 15.00 H new ATOM 1076 N GLY A 107 0.191 22.583 24.069 1.00 15.00 N ATOM 1077 CA GLY A 107 0.385 22.149 22.686 1.00 15.00 C ATOM 1078 C GLY A 107 1.084 23.198 21.815 1.00 15.00 C ATOM 1079 O GLY A 107 1.565 22.867 20.729 1.00 15.00 O ATOM 0 H GLY A 107 1.038 22.574 24.638 1.00 15.00 H new ATOM 0 HA2 GLY A 107 0.973 21.231 22.679 1.00 15.00 H new ATOM 0 HA3 GLY A 107 -0.584 21.910 22.248 1.00 15.00 H new ATOM 1083 N GLN A 108 1.148 24.449 22.271 1.00 15.00 N ATOM 1084 CA GLN A 108 1.795 25.500 21.491 1.00 15.00 C ATOM 1085 C GLN A 108 3.292 25.540 21.777 1.00 15.00 C ATOM 1086 O GLN A 108 3.741 25.105 22.836 1.00 15.00 O ATOM 1087 CB GLN A 108 1.159 26.857 21.797 1.00 15.00 C ATOM 1088 CG GLN A 108 -0.282 26.860 21.283 1.00 15.00 C ATOM 1089 CD GLN A 108 -0.924 28.221 21.530 1.00 15.00 C ATOM 1090 OE1 GLN A 108 -1.438 28.472 22.618 1.00 15.00 O ATOM 1091 NE2 GLN A 108 -0.922 29.116 20.580 1.00 15.00 N ATOM 0 H GLN A 108 0.765 24.755 23.165 1.00 15.00 H new ATOM 0 HA GLN A 108 1.654 25.278 20.433 1.00 15.00 H new ATOM 0 HB2 GLN A 108 1.176 27.047 22.870 1.00 15.00 H new ATOM 0 HB3 GLN A 108 1.729 27.656 21.323 1.00 15.00 H new ATOM 0 HG2 GLN A 108 -0.297 26.630 20.218 1.00 15.00 H new ATOM 0 HG3 GLN A 108 -0.857 26.082 21.785 1.00 15.00 H new ATOM 0 HE21 GLN A 108 -0.494 28.902 19.679 1.00 15.00 H new ATOM 0 HE22 GLN A 108 -1.348 30.029 20.739 1.00 15.00 H new ATOM 1100 N GLN A 109 4.064 26.052 20.822 1.00 15.00 N ATOM 1101 CA GLN A 109 5.517 26.094 20.957 1.00 15.00 C ATOM 1102 C GLN A 109 6.019 27.529 21.085 1.00 15.00 C ATOM 1103 O GLN A 109 5.386 28.470 20.605 1.00 15.00 O ATOM 1104 CB GLN A 109 6.168 25.437 19.738 1.00 15.00 C ATOM 1105 CG GLN A 109 5.789 23.955 19.693 1.00 15.00 C ATOM 1106 CD GLN A 109 6.356 23.293 18.438 1.00 15.00 C ATOM 1107 OE1 GLN A 109 6.720 23.973 17.478 1.00 15.00 O ATOM 1108 NE2 GLN A 109 6.451 21.992 18.389 1.00 15.00 N ATOM 0 H GLN A 109 3.709 26.442 19.949 1.00 15.00 H new ATOM 0 HA GLN A 109 5.788 25.551 21.863 1.00 15.00 H new ATOM 0 HB2 GLN A 109 5.841 25.935 18.825 1.00 15.00 H new ATOM 0 HB3 GLN A 109 7.251 25.545 19.789 1.00 15.00 H new ATOM 0 HG2 GLN A 109 6.169 23.450 20.581 1.00 15.00 H new ATOM 0 HG3 GLN A 109 4.704 23.851 19.707 1.00 15.00 H new ATOM 0 HE21 GLN A 109 6.150 21.428 19.184 1.00 15.00 H new ATOM 0 HE22 GLN A 109 6.827 21.539 17.556 1.00 15.00 H new ATOM 1117 N ILE A 110 7.136 27.684 21.789 1.00 15.00 N ATOM 1118 CA ILE A 110 7.795 28.979 21.927 1.00 15.00 C ATOM 1119 C ILE A 110 9.253 28.856 21.490 1.00 15.00 C ATOM 1120 O ILE A 110 9.936 27.903 21.862 1.00 15.00 O ATOM 1121 CB ILE A 110 7.716 29.446 23.387 1.00 15.00 C ATOM 1122 CG1 ILE A 110 6.247 29.550 23.808 1.00 15.00 C ATOM 1123 CG2 ILE A 110 8.384 30.817 23.539 1.00 15.00 C ATOM 1124 CD1 ILE A 110 6.155 29.811 25.313 1.00 15.00 C ATOM 0 H ILE A 110 7.607 26.922 22.277 1.00 15.00 H new ATOM 0 HA ILE A 110 7.295 29.713 21.296 1.00 15.00 H new ATOM 0 HB ILE A 110 8.233 28.725 24.020 1.00 15.00 H new ATOM 0 HG12 ILE A 110 5.758 30.355 23.260 1.00 15.00 H new ATOM 0 HG13 ILE A 110 5.721 28.629 23.557 1.00 15.00 H new ATOM 0 HG21 ILE A 110 8.322 31.139 24.579 1.00 15.00 H new ATOM 0 HG22 ILE A 110 9.431 30.747 23.243 1.00 15.00 H new ATOM 0 HG23 ILE A 110 7.875 31.542 22.904 1.00 15.00 H new ATOM 0 HD11 ILE A 110 5.108 29.884 25.606 1.00 15.00 H new ATOM 0 HD12 ILE A 110 6.627 28.991 25.854 1.00 15.00 H new ATOM 0 HD13 ILE A 110 6.665 30.744 25.552 1.00 15.00 H new ATOM 1136 N ILE A 111 9.728 29.823 20.708 1.00 15.00 N ATOM 1137 CA ILE A 111 11.113 29.804 20.238 1.00 15.00 C ATOM 1138 C ILE A 111 11.936 30.861 20.973 1.00 15.00 C ATOM 1139 O ILE A 111 11.517 32.012 21.100 1.00 15.00 O ATOM 1140 CB ILE A 111 11.172 30.062 18.726 1.00 15.00 C ATOM 1141 CG1 ILE A 111 10.299 29.041 17.991 1.00 15.00 C ATOM 1142 CG2 ILE A 111 12.617 29.924 18.236 1.00 15.00 C ATOM 1143 CD1 ILE A 111 10.223 29.403 16.507 1.00 15.00 C ATOM 0 H ILE A 111 9.181 30.623 20.388 1.00 15.00 H new ATOM 0 HA ILE A 111 11.531 28.819 20.444 1.00 15.00 H new ATOM 0 HB ILE A 111 10.808 31.069 18.524 1.00 15.00 H new ATOM 0 HG12 ILE A 111 10.714 28.040 18.111 1.00 15.00 H new ATOM 0 HG13 ILE A 111 9.299 29.025 18.423 1.00 15.00 H new ATOM 0 HG21 ILE A 111 12.656 30.108 17.162 1.00 15.00 H new ATOM 0 HG22 ILE A 111 13.247 30.649 18.751 1.00 15.00 H new ATOM 0 HG23 ILE A 111 12.978 28.917 18.445 1.00 15.00 H new ATOM 0 HD11 ILE A 111 9.601 28.675 15.986 1.00 15.00 H new ATOM 0 HD12 ILE A 111 9.788 30.396 16.397 1.00 15.00 H new ATOM 0 HD13 ILE A 111 11.225 29.396 16.079 1.00 15.00 H new ATOM 1155 N LEU A 112 13.103 30.451 21.460 1.00 15.00 N ATOM 1156 CA LEU A 112 14.023 31.364 22.130 1.00 15.00 C ATOM 1157 C LEU A 112 15.362 31.407 21.385 1.00 15.00 C ATOM 1158 O LEU A 112 16.182 30.505 21.569 1.00 15.00 O ATOM 1159 CB LEU A 112 14.262 30.882 23.561 1.00 15.00 C ATOM 1160 CG LEU A 112 12.977 31.047 24.374 1.00 15.00 C ATOM 1161 CD1 LEU A 112 12.993 30.078 25.557 1.00 15.00 C ATOM 1162 CD2 LEU A 112 12.883 32.483 24.895 1.00 15.00 C ATOM 0 H LEU A 112 13.435 29.488 21.403 1.00 15.00 H new ATOM 0 HA LEU A 112 13.586 32.363 22.140 1.00 15.00 H new ATOM 0 HB2 LEU A 112 14.571 29.837 23.558 1.00 15.00 H new ATOM 0 HB3 LEU A 112 15.071 31.452 24.018 1.00 15.00 H new ATOM 0 HG LEU A 112 12.117 30.833 23.739 1.00 15.00 H new ATOM 0 HD11 LEU A 112 12.077 30.196 26.136 1.00 15.00 H new ATOM 0 HD12 LEU A 112 13.060 29.055 25.188 1.00 15.00 H new ATOM 0 HD13 LEU A 112 13.853 30.292 26.191 1.00 15.00 H new ATOM 0 HD21 LEU A 112 11.967 32.601 25.474 1.00 15.00 H new ATOM 0 HD22 LEU A 112 13.743 32.697 25.529 1.00 15.00 H new ATOM 0 HD23 LEU A 112 12.871 33.175 24.053 1.00 15.00 H new ATOM 1174 N PRO A 113 15.589 32.370 20.515 1.00 15.00 N ATOM 1175 CA PRO A 113 16.908 32.500 19.826 1.00 15.00 C ATOM 1176 C PRO A 113 17.956 33.166 20.714 1.00 15.00 C ATOM 1177 O PRO A 113 18.149 34.380 20.657 1.00 15.00 O ATOM 1178 CB PRO A 113 16.600 33.365 18.604 1.00 15.00 C ATOM 1179 CG PRO A 113 15.443 34.213 19.010 1.00 15.00 C ATOM 1180 CD PRO A 113 14.650 33.413 20.046 1.00 15.00 C ATOM 0 HA PRO A 113 17.330 31.529 19.568 1.00 15.00 H new ATOM 0 HB2 PRO A 113 17.459 33.976 18.327 1.00 15.00 H new ATOM 0 HB3 PRO A 113 16.354 32.751 17.738 1.00 15.00 H new ATOM 0 HG2 PRO A 113 15.786 35.158 19.431 1.00 15.00 H new ATOM 0 HG3 PRO A 113 14.820 34.455 18.149 1.00 15.00 H new ATOM 0 HD2 PRO A 113 14.320 34.048 20.869 1.00 15.00 H new ATOM 0 HD3 PRO A 113 13.756 32.972 19.606 1.00 15.00 H new