USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 553 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 Set 1.1: A 47 THR OG1 : rot 24:sc= -1.43! USER MOD Set 1.2: A 83 SER OG : rot -64:sc= 0.498 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -123:sc= 1.24 USER MOD Single : A 39 LYS NZ :NH3+ -119:sc= -3.7! (180deg=-9.96!) USER MOD Single : A 45 SER OG : rot 180:sc= -0.196 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00281) USER MOD Single : A 53 ASN : amide:sc= -1.9 X(o=-1.9,f=-1.8) USER MOD Single : A 55 SER OG : rot 142:sc= 0.062 USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 THR OG1 : rot -25:sc= 0.256 USER MOD Single : A 76 HIS : no HD1:sc= -2.7 K(o=-2.7,f=-1.2) USER MOD Single : A 82 THR OG1 : rot 10:sc= 1.14 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 155:sc= -4.23! USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HIS : no HE2:sc= -11.6! C(o=-12!,f=-13!) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 68:sc= 1.22 USER MOD Single : A 107 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00693) USER MOD Single : A 111 HIS : no HD1:sc= -0.0736 X(o=-0.074,f=-0.17) USER MOD Single : A 115 MET CE :methyl -149:sc= 0 (180deg=-0.0267) USER MOD Single : A 116 THR OG1 : rot 90:sc= -1.98 USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.503 USER MOD Single : A 118 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.00492) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0.0298 USER MOD ----------------------------------------------------------------- ATOM 471 N ALA A 33 29.027 -42.882 -67.771 1.00 51.05 N ATOM 472 CA ALA A 33 29.426 -43.517 -69.021 1.00 73.32 C ATOM 473 C ALA A 33 29.568 -45.026 -68.849 1.00 45.31 C ATOM 474 O ALA A 33 29.823 -45.513 -67.749 1.00 33.53 O ATOM 475 CB ALA A 33 30.729 -42.916 -69.527 1.00 32.14 C ATOM 0 HA ALA A 33 28.645 -43.334 -69.758 1.00 73.32 H new ATOM 0 HB1 ALA A 33 31.014 -43.400 -70.461 1.00 32.14 H new ATOM 0 HB2 ALA A 33 30.595 -41.848 -69.698 1.00 32.14 H new ATOM 0 HB3 ALA A 33 31.513 -43.069 -68.785 1.00 32.14 H new ATOM 481 N GLY A 34 29.402 -45.760 -69.945 1.00 23.31 N ATOM 482 CA GLY A 34 29.516 -47.206 -69.893 1.00 74.20 C ATOM 483 C GLY A 34 30.811 -47.664 -69.252 1.00 14.54 C ATOM 484 O GLY A 34 30.827 -48.634 -68.495 1.00 4.33 O ATOM 0 H GLY A 34 29.191 -45.379 -70.867 1.00 23.31 H new ATOM 0 HA2 GLY A 34 28.674 -47.614 -69.334 1.00 74.20 H new ATOM 0 HA3 GLY A 34 29.453 -47.609 -70.904 1.00 74.20 H new ATOM 488 N ALA A 35 31.899 -46.964 -69.556 1.00 21.31 N ATOM 489 CA ALA A 35 33.204 -47.304 -69.003 1.00 45.14 C ATOM 490 C ALA A 35 33.198 -47.208 -67.481 1.00 62.45 C ATOM 491 O ALA A 35 33.961 -47.898 -66.804 1.00 2.41 O ATOM 492 CB ALA A 35 34.277 -46.396 -69.587 1.00 11.13 C ATOM 0 H ALA A 35 31.902 -46.159 -70.182 1.00 21.31 H new ATOM 0 HA ALA A 35 33.429 -48.336 -69.274 1.00 45.14 H new ATOM 0 HB1 ALA A 35 35.247 -46.661 -69.165 1.00 11.13 H new ATOM 0 HB2 ALA A 35 34.307 -46.518 -70.670 1.00 11.13 H new ATOM 0 HB3 ALA A 35 34.047 -45.358 -69.345 1.00 11.13 H new ATOM 498 N ILE A 36 32.334 -46.350 -66.951 1.00 33.12 N ATOM 499 CA ILE A 36 32.229 -46.166 -65.509 1.00 11.53 C ATOM 500 C ILE A 36 32.037 -47.500 -64.796 1.00 51.02 C ATOM 501 O ILE A 36 32.506 -47.691 -63.674 1.00 11.41 O ATOM 502 CB ILE A 36 31.062 -45.229 -65.144 1.00 74.34 C ATOM 503 CG1 ILE A 36 31.385 -44.447 -63.870 1.00 45.42 C ATOM 504 CG2 ILE A 36 29.778 -46.027 -64.971 1.00 15.51 C ATOM 505 CD1 ILE A 36 31.237 -42.949 -64.026 1.00 61.45 C ATOM 0 H ILE A 36 31.697 -45.771 -67.498 1.00 33.12 H new ATOM 0 HA ILE A 36 33.164 -45.713 -65.181 1.00 11.53 H new ATOM 0 HB ILE A 36 30.919 -44.517 -65.957 1.00 74.34 H new ATOM 0 HG12 ILE A 36 30.729 -44.787 -63.069 1.00 45.42 H new ATOM 0 HG13 ILE A 36 32.406 -44.673 -63.564 1.00 45.42 H new ATOM 0 HG21 ILE A 36 28.962 -45.352 -64.713 1.00 15.51 H new ATOM 0 HG22 ILE A 36 29.542 -46.543 -65.902 1.00 15.51 H new ATOM 0 HG23 ILE A 36 29.909 -46.759 -64.174 1.00 15.51 H new ATOM 0 HD11 ILE A 36 31.482 -42.459 -63.084 1.00 61.45 H new ATOM 0 HD12 ILE A 36 31.913 -42.596 -64.805 1.00 61.45 H new ATOM 0 HD13 ILE A 36 30.210 -42.712 -64.302 1.00 61.45 H new ATOM 517 N LYS A 37 31.345 -48.423 -65.456 1.00 45.24 N ATOM 518 CA LYS A 37 31.093 -49.742 -64.889 1.00 1.00 C ATOM 519 C LYS A 37 32.400 -50.496 -64.663 1.00 34.10 C ATOM 520 O LYS A 37 32.593 -51.123 -63.621 1.00 43.15 O ATOM 521 CB LYS A 37 30.178 -50.550 -65.812 1.00 24.31 C ATOM 522 CG LYS A 37 28.759 -50.692 -65.290 1.00 1.21 C ATOM 523 CD LYS A 37 28.668 -51.750 -64.203 1.00 14.41 C ATOM 524 CE LYS A 37 28.017 -53.024 -64.719 1.00 11.04 C ATOM 525 NZ LYS A 37 27.794 -54.013 -63.628 1.00 61.42 N ATOM 0 H LYS A 37 30.949 -48.281 -66.385 1.00 45.24 H new ATOM 0 HA LYS A 37 30.600 -49.608 -63.926 1.00 1.00 H new ATOM 0 HB2 LYS A 37 30.150 -50.072 -66.791 1.00 24.31 H new ATOM 0 HB3 LYS A 37 30.605 -51.543 -65.954 1.00 24.31 H new ATOM 0 HG2 LYS A 37 28.418 -49.735 -64.897 1.00 1.21 H new ATOM 0 HG3 LYS A 37 28.093 -50.955 -66.112 1.00 1.21 H new ATOM 0 HD2 LYS A 37 29.667 -51.976 -63.829 1.00 14.41 H new ATOM 0 HD3 LYS A 37 28.093 -51.361 -63.362 1.00 14.41 H new ATOM 0 HE2 LYS A 37 27.064 -52.780 -65.189 1.00 11.04 H new ATOM 0 HE3 LYS A 37 28.648 -53.468 -65.489 1.00 11.04 H new ATOM 0 HZ1 LYS A 37 27.349 -54.867 -64.020 1.00 61.42 H new ATOM 0 HZ2 LYS A 37 28.706 -54.265 -63.196 1.00 61.42 H new ATOM 0 HZ3 LYS A 37 27.171 -53.598 -62.906 1.00 61.42 H new ATOM 539 N SER A 38 33.293 -50.430 -65.645 1.00 4.34 N ATOM 540 CA SER A 38 34.581 -51.108 -65.553 1.00 71.33 C ATOM 541 C SER A 38 35.423 -50.525 -64.423 1.00 45.11 C ATOM 542 O SER A 38 36.103 -51.253 -63.700 1.00 21.25 O ATOM 543 CB SER A 38 35.336 -50.995 -66.879 1.00 2.41 C ATOM 544 OG SER A 38 34.939 -52.013 -67.781 1.00 40.51 O ATOM 0 H SER A 38 33.149 -49.914 -66.513 1.00 4.34 H new ATOM 0 HA SER A 38 34.395 -52.160 -65.337 1.00 71.33 H new ATOM 0 HB2 SER A 38 35.150 -50.018 -67.324 1.00 2.41 H new ATOM 0 HB3 SER A 38 36.409 -51.064 -66.697 1.00 2.41 H new ATOM 0 HG SER A 38 35.724 -52.532 -68.054 1.00 40.51 H new ATOM 550 N LYS A 39 35.374 -49.205 -64.277 1.00 71.23 N ATOM 551 CA LYS A 39 36.131 -48.521 -63.235 1.00 75.13 C ATOM 552 C LYS A 39 35.641 -48.930 -61.850 1.00 30.32 C ATOM 553 O LYS A 39 36.440 -49.177 -60.946 1.00 13.20 O ATOM 554 CB LYS A 39 36.012 -47.005 -63.402 1.00 52.45 C ATOM 555 CG LYS A 39 36.087 -46.544 -64.848 1.00 21.21 C ATOM 556 CD LYS A 39 37.519 -46.254 -65.267 1.00 34.30 C ATOM 557 CE LYS A 39 38.380 -47.506 -65.211 1.00 62.52 C ATOM 558 NZ LYS A 39 37.751 -48.645 -65.936 1.00 21.45 N ATOM 0 H LYS A 39 34.817 -48.587 -64.868 1.00 71.23 H new ATOM 0 HA LYS A 39 37.178 -48.810 -63.331 1.00 75.13 H new ATOM 0 HB2 LYS A 39 35.067 -46.674 -62.973 1.00 52.45 H new ATOM 0 HB3 LYS A 39 36.807 -46.522 -62.834 1.00 52.45 H new ATOM 0 HG2 LYS A 39 35.665 -47.311 -65.498 1.00 21.21 H new ATOM 0 HG3 LYS A 39 35.480 -45.648 -64.977 1.00 21.21 H new ATOM 0 HD2 LYS A 39 37.528 -45.850 -66.279 1.00 34.30 H new ATOM 0 HD3 LYS A 39 37.943 -45.490 -64.615 1.00 34.30 H new ATOM 0 HE2 LYS A 39 39.357 -47.294 -65.645 1.00 62.52 H new ATOM 0 HE3 LYS A 39 38.547 -47.786 -64.171 1.00 62.52 H new ATOM 0 HZ1 LYS A 39 37.579 -49.427 -65.272 1.00 21.45 H new ATOM 0 HZ2 LYS A 39 36.848 -48.337 -66.350 1.00 21.45 H new ATOM 0 HZ3 LYS A 39 38.387 -48.968 -66.693 1.00 21.45 H new ATOM 572 N VAL A 40 34.323 -49.002 -61.690 1.00 23.20 N ATOM 573 CA VAL A 40 33.728 -49.384 -60.415 1.00 75.33 C ATOM 574 C VAL A 40 34.294 -50.710 -59.919 1.00 71.04 C ATOM 575 O VAL A 40 34.526 -50.888 -58.724 1.00 74.42 O ATOM 576 CB VAL A 40 32.196 -49.502 -60.524 1.00 53.25 C ATOM 577 CG1 VAL A 40 31.623 -50.184 -59.292 1.00 21.34 C ATOM 578 CG2 VAL A 40 31.569 -48.130 -60.724 1.00 4.22 C ATOM 0 H VAL A 40 33.648 -48.801 -62.427 1.00 23.20 H new ATOM 0 HA VAL A 40 33.975 -48.597 -59.702 1.00 75.33 H new ATOM 0 HB VAL A 40 31.958 -50.116 -61.393 1.00 53.25 H new ATOM 0 HG11 VAL A 40 30.540 -50.258 -59.388 1.00 21.34 H new ATOM 0 HG12 VAL A 40 32.048 -51.183 -59.198 1.00 21.34 H new ATOM 0 HG13 VAL A 40 31.870 -49.600 -58.405 1.00 21.34 H new ATOM 0 HG21 VAL A 40 30.486 -48.232 -60.799 1.00 4.22 H new ATOM 0 HG22 VAL A 40 31.815 -47.490 -59.876 1.00 4.22 H new ATOM 0 HG23 VAL A 40 31.956 -47.683 -61.640 1.00 4.22 H new ATOM 588 N GLU A 41 34.515 -51.637 -60.847 1.00 13.24 N ATOM 589 CA GLU A 41 35.054 -52.947 -60.503 1.00 21.14 C ATOM 590 C GLU A 41 36.394 -52.813 -59.784 1.00 54.41 C ATOM 591 O GLU A 41 36.706 -53.587 -58.880 1.00 73.22 O ATOM 592 CB GLU A 41 35.222 -53.801 -61.761 1.00 54.23 C ATOM 593 CG GLU A 41 33.977 -53.854 -62.631 1.00 35.13 C ATOM 594 CD GLU A 41 32.705 -54.006 -61.819 1.00 55.24 C ATOM 595 OE1 GLU A 41 32.456 -55.118 -61.309 1.00 25.32 O ATOM 596 OE2 GLU A 41 31.957 -53.013 -61.695 1.00 64.12 O ATOM 0 H GLU A 41 34.329 -51.505 -61.841 1.00 13.24 H new ATOM 0 HA GLU A 41 34.348 -53.436 -59.832 1.00 21.14 H new ATOM 0 HB2 GLU A 41 36.050 -53.407 -62.350 1.00 54.23 H new ATOM 0 HB3 GLU A 41 35.494 -54.815 -61.468 1.00 54.23 H new ATOM 0 HG2 GLU A 41 33.916 -52.944 -63.228 1.00 35.13 H new ATOM 0 HG3 GLU A 41 34.061 -54.688 -63.328 1.00 35.13 H new ATOM 603 N ALA A 42 37.181 -51.824 -60.194 1.00 5.21 N ATOM 604 CA ALA A 42 38.486 -51.586 -59.589 1.00 63.23 C ATOM 605 C ALA A 42 38.370 -50.674 -58.373 1.00 50.52 C ATOM 606 O ALA A 42 39.284 -50.597 -57.553 1.00 61.20 O ATOM 607 CB ALA A 42 39.441 -50.987 -60.612 1.00 34.21 C ATOM 0 H ALA A 42 36.938 -51.175 -60.942 1.00 5.21 H new ATOM 0 HA ALA A 42 38.884 -52.544 -59.254 1.00 63.23 H new ATOM 0 HB1 ALA A 42 40.411 -50.815 -60.147 1.00 34.21 H new ATOM 0 HB2 ALA A 42 39.557 -51.676 -61.449 1.00 34.21 H new ATOM 0 HB3 ALA A 42 39.039 -50.041 -60.975 1.00 34.21 H new ATOM 613 N ALA A 43 37.240 -49.982 -58.264 1.00 21.41 N ATOM 614 CA ALA A 43 37.004 -49.076 -57.147 1.00 42.21 C ATOM 615 C ALA A 43 37.140 -49.801 -55.813 1.00 23.42 C ATOM 616 O ALA A 43 37.415 -49.183 -54.783 1.00 62.35 O ATOM 617 CB ALA A 43 35.627 -48.439 -57.266 1.00 24.21 C ATOM 0 H ALA A 43 36.474 -50.032 -58.936 1.00 21.41 H new ATOM 0 HA ALA A 43 37.760 -48.291 -57.182 1.00 42.21 H new ATOM 0 HB1 ALA A 43 35.464 -47.765 -56.425 1.00 24.21 H new ATOM 0 HB2 ALA A 43 35.565 -47.878 -58.198 1.00 24.21 H new ATOM 0 HB3 ALA A 43 34.864 -49.218 -57.260 1.00 24.21 H new ATOM 623 N LEU A 44 36.946 -51.115 -55.837 1.00 33.22 N ATOM 624 CA LEU A 44 37.046 -51.926 -54.628 1.00 1.31 C ATOM 625 C LEU A 44 38.441 -51.825 -54.019 1.00 62.45 C ATOM 626 O LEU A 44 38.642 -52.141 -52.847 1.00 10.03 O ATOM 627 CB LEU A 44 36.718 -53.387 -54.941 1.00 14.41 C ATOM 628 CG LEU A 44 35.241 -53.775 -54.857 1.00 61.33 C ATOM 629 CD1 LEU A 44 34.359 -52.617 -55.296 1.00 74.35 C ATOM 630 CD2 LEU A 44 34.966 -55.009 -55.704 1.00 73.22 C ATOM 0 H LEU A 44 36.719 -51.642 -56.680 1.00 33.22 H new ATOM 0 HA LEU A 44 36.325 -51.546 -53.904 1.00 1.31 H new ATOM 0 HB2 LEU A 44 37.076 -53.612 -55.946 1.00 14.41 H new ATOM 0 HB3 LEU A 44 37.279 -54.020 -54.254 1.00 14.41 H new ATOM 0 HG LEU A 44 35.005 -54.011 -53.819 1.00 61.33 H new ATOM 0 HD11 LEU A 44 33.312 -52.912 -55.230 1.00 74.35 H new ATOM 0 HD12 LEU A 44 34.536 -51.759 -54.648 1.00 74.35 H new ATOM 0 HD13 LEU A 44 34.596 -52.349 -56.326 1.00 74.35 H new ATOM 0 HD21 LEU A 44 33.910 -55.271 -55.633 1.00 73.22 H new ATOM 0 HD22 LEU A 44 35.219 -54.800 -56.744 1.00 73.22 H new ATOM 0 HD23 LEU A 44 35.572 -55.840 -55.343 1.00 73.22 H new ATOM 642 N SER A 45 39.402 -51.382 -54.824 1.00 73.02 N ATOM 643 CA SER A 45 40.779 -51.241 -54.366 1.00 32.34 C ATOM 644 C SER A 45 41.049 -49.818 -53.886 1.00 70.33 C ATOM 645 O SER A 45 40.289 -48.889 -54.159 1.00 73.11 O ATOM 646 CB SER A 45 41.752 -51.607 -55.488 1.00 22.13 C ATOM 647 OG SER A 45 42.427 -52.820 -55.203 1.00 34.35 O ATOM 0 H SER A 45 39.252 -51.115 -55.797 1.00 73.02 H new ATOM 0 HA SER A 45 40.929 -51.922 -53.529 1.00 32.34 H new ATOM 0 HB2 SER A 45 41.209 -51.702 -56.428 1.00 22.13 H new ATOM 0 HB3 SER A 45 42.479 -50.805 -55.619 1.00 22.13 H new ATOM 0 HG SER A 45 43.042 -53.032 -55.936 1.00 34.35 H new ATOM 653 N PRO A 46 42.159 -49.642 -53.154 1.00 33.43 N ATOM 654 CA PRO A 46 42.556 -48.336 -52.621 1.00 25.04 C ATOM 655 C PRO A 46 43.009 -47.376 -53.716 1.00 23.52 C ATOM 656 O PRO A 46 43.255 -46.197 -53.460 1.00 63.14 O ATOM 657 CB PRO A 46 43.723 -48.673 -51.689 1.00 64.42 C ATOM 658 CG PRO A 46 44.280 -49.947 -52.226 1.00 4.33 C ATOM 659 CD PRO A 46 43.111 -50.705 -52.790 1.00 31.11 C ATOM 0 HA PRO A 46 41.728 -47.830 -52.124 1.00 25.04 H new ATOM 0 HB2 PRO A 46 44.472 -47.881 -51.690 1.00 64.42 H new ATOM 0 HB3 PRO A 46 43.386 -48.791 -50.659 1.00 64.42 H new ATOM 0 HG2 PRO A 46 45.027 -49.753 -52.996 1.00 4.33 H new ATOM 0 HG3 PRO A 46 44.773 -50.519 -51.440 1.00 4.33 H new ATOM 0 HD2 PRO A 46 43.399 -51.301 -53.656 1.00 31.11 H new ATOM 0 HD3 PRO A 46 42.686 -51.392 -52.058 1.00 31.11 H new ATOM 667 N THR A 47 43.117 -47.889 -54.938 1.00 4.12 N ATOM 668 CA THR A 47 43.541 -47.078 -56.072 1.00 3.30 C ATOM 669 C THR A 47 42.501 -46.014 -56.407 1.00 24.53 C ATOM 670 O THR A 47 41.482 -45.893 -55.726 1.00 42.44 O ATOM 671 CB THR A 47 43.793 -47.945 -57.320 1.00 54.31 C ATOM 672 OG1 THR A 47 44.420 -47.162 -58.342 1.00 71.01 O ATOM 673 CG2 THR A 47 42.489 -48.525 -57.847 1.00 70.22 C ATOM 0 H THR A 47 42.917 -48.863 -55.167 1.00 4.12 H new ATOM 0 HA THR A 47 44.473 -46.592 -55.782 1.00 3.30 H new ATOM 0 HB THR A 47 44.451 -48.767 -57.038 1.00 54.31 H new ATOM 0 HG1 THR A 47 44.890 -46.405 -57.933 1.00 71.01 H new ATOM 0 HG21 THR A 47 42.691 -49.134 -58.728 1.00 70.22 H new ATOM 0 HG22 THR A 47 42.028 -49.144 -57.077 1.00 70.22 H new ATOM 0 HG23 THR A 47 41.812 -47.714 -58.114 1.00 70.22 H new ATOM 681 N HIS A 48 42.765 -45.247 -57.459 1.00 55.44 N ATOM 682 CA HIS A 48 41.850 -44.193 -57.885 1.00 74.53 C ATOM 683 C HIS A 48 41.534 -44.317 -59.373 1.00 34.22 C ATOM 684 O HIS A 48 42.408 -44.634 -60.179 1.00 41.14 O ATOM 685 CB HIS A 48 42.450 -42.818 -57.592 1.00 74.11 C ATOM 686 CG HIS A 48 41.554 -41.680 -57.974 1.00 61.13 C ATOM 687 ND1 HIS A 48 41.880 -40.760 -58.948 1.00 4.21 N ATOM 688 CD2 HIS A 48 40.336 -41.317 -57.509 1.00 31.21 C ATOM 689 CE1 HIS A 48 40.903 -39.879 -59.064 1.00 34.04 C ATOM 690 NE2 HIS A 48 39.953 -40.195 -58.202 1.00 30.23 N ATOM 0 H HIS A 48 43.604 -45.335 -58.032 1.00 55.44 H new ATOM 0 HA HIS A 48 40.922 -44.303 -57.324 1.00 74.53 H new ATOM 0 HB2 HIS A 48 42.678 -42.749 -56.528 1.00 74.11 H new ATOM 0 HB3 HIS A 48 43.395 -42.721 -58.127 1.00 74.11 H new ATOM 0 HD2 HIS A 48 39.770 -41.817 -56.737 1.00 31.21 H new ATOM 0 HE1 HIS A 48 40.884 -39.043 -59.747 1.00 34.04 H new ATOM 0 HE2 HIS A 48 39.077 -39.688 -58.072 1.00 30.23 H new ATOM 698 N PHE A 49 40.278 -44.066 -59.729 1.00 2.11 N ATOM 699 CA PHE A 49 39.846 -44.151 -61.119 1.00 43.12 C ATOM 700 C PHE A 49 39.154 -42.862 -61.553 1.00 75.52 C ATOM 701 O PHE A 49 38.257 -42.366 -60.871 1.00 53.24 O ATOM 702 CB PHE A 49 38.903 -45.340 -61.310 1.00 73.15 C ATOM 703 CG PHE A 49 37.630 -45.229 -60.520 1.00 4.01 C ATOM 704 CD1 PHE A 49 37.569 -45.687 -59.214 1.00 34.02 C ATOM 705 CD2 PHE A 49 36.496 -44.667 -61.083 1.00 41.12 C ATOM 706 CE1 PHE A 49 36.399 -45.586 -58.483 1.00 45.03 C ATOM 707 CE2 PHE A 49 35.324 -44.563 -60.358 1.00 5.24 C ATOM 708 CZ PHE A 49 35.276 -45.024 -59.057 1.00 13.05 C ATOM 0 H PHE A 49 39.542 -43.802 -59.074 1.00 2.11 H new ATOM 0 HA PHE A 49 40.730 -44.294 -61.741 1.00 43.12 H new ATOM 0 HB2 PHE A 49 38.658 -45.433 -62.368 1.00 73.15 H new ATOM 0 HB3 PHE A 49 39.421 -46.255 -61.022 1.00 73.15 H new ATOM 0 HD1 PHE A 49 38.445 -46.128 -58.761 1.00 34.02 H new ATOM 0 HD2 PHE A 49 36.528 -44.306 -62.100 1.00 41.12 H new ATOM 0 HE1 PHE A 49 36.364 -45.946 -57.465 1.00 45.03 H new ATOM 0 HE2 PHE A 49 34.447 -44.122 -60.808 1.00 5.24 H new ATOM 0 HZ PHE A 49 34.361 -44.945 -58.489 1.00 13.05 H new ATOM 718 N LYS A 50 39.576 -42.325 -62.692 1.00 65.35 N ATOM 719 CA LYS A 50 38.998 -41.095 -63.220 1.00 61.21 C ATOM 720 C LYS A 50 38.541 -41.284 -64.663 1.00 61.11 C ATOM 721 O LYS A 50 39.358 -41.493 -65.561 1.00 74.43 O ATOM 722 CB LYS A 50 40.015 -39.954 -63.141 1.00 61.42 C ATOM 723 CG LYS A 50 39.567 -38.690 -63.854 1.00 23.02 C ATOM 724 CD LYS A 50 40.708 -37.696 -63.995 1.00 13.32 C ATOM 725 CE LYS A 50 40.361 -36.357 -63.362 1.00 2.14 C ATOM 726 NZ LYS A 50 40.271 -36.452 -61.878 1.00 40.42 N ATOM 0 H LYS A 50 40.318 -42.723 -63.268 1.00 65.35 H new ATOM 0 HA LYS A 50 38.129 -40.842 -62.613 1.00 61.21 H new ATOM 0 HB2 LYS A 50 40.207 -39.722 -62.094 1.00 61.42 H new ATOM 0 HB3 LYS A 50 40.959 -40.289 -63.572 1.00 61.42 H new ATOM 0 HG2 LYS A 50 39.181 -38.945 -64.841 1.00 23.02 H new ATOM 0 HG3 LYS A 50 38.748 -38.230 -63.301 1.00 23.02 H new ATOM 0 HD2 LYS A 50 41.605 -38.100 -63.525 1.00 13.32 H new ATOM 0 HD3 LYS A 50 40.938 -37.552 -65.051 1.00 13.32 H new ATOM 0 HE2 LYS A 50 41.117 -35.620 -63.634 1.00 2.14 H new ATOM 0 HE3 LYS A 50 39.411 -36.002 -63.762 1.00 2.14 H new ATOM 0 HZ1 LYS A 50 40.083 -35.509 -61.481 1.00 40.42 H new ATOM 0 HZ2 LYS A 50 39.499 -37.098 -61.618 1.00 40.42 H new ATOM 0 HZ3 LYS A 50 41.169 -36.815 -61.498 1.00 40.42 H new ATOM 740 N LEU A 51 37.233 -41.208 -64.879 1.00 53.42 N ATOM 741 CA LEU A 51 36.667 -41.369 -66.214 1.00 50.52 C ATOM 742 C LEU A 51 35.763 -40.192 -66.568 1.00 40.00 C ATOM 743 O LEU A 51 34.842 -39.858 -65.822 1.00 3.22 O ATOM 744 CB LEU A 51 35.878 -42.676 -66.301 1.00 64.41 C ATOM 745 CG LEU A 51 35.381 -43.069 -67.693 1.00 30.03 C ATOM 746 CD1 LEU A 51 36.315 -44.089 -68.325 1.00 71.03 C ATOM 747 CD2 LEU A 51 33.963 -43.616 -67.617 1.00 70.15 C ATOM 0 H LEU A 51 36.544 -41.036 -64.147 1.00 53.42 H new ATOM 0 HA LEU A 51 37.489 -41.400 -66.929 1.00 50.52 H new ATOM 0 HB2 LEU A 51 36.506 -43.482 -65.920 1.00 64.41 H new ATOM 0 HB3 LEU A 51 35.017 -42.602 -65.637 1.00 64.41 H new ATOM 0 HG LEU A 51 35.373 -42.178 -68.320 1.00 30.03 H new ATOM 0 HD11 LEU A 51 35.945 -44.357 -69.315 1.00 71.03 H new ATOM 0 HD12 LEU A 51 37.314 -43.662 -68.414 1.00 71.03 H new ATOM 0 HD13 LEU A 51 36.356 -44.981 -67.700 1.00 71.03 H new ATOM 0 HD21 LEU A 51 33.625 -43.891 -68.616 1.00 70.15 H new ATOM 0 HD22 LEU A 51 33.946 -44.496 -66.974 1.00 70.15 H new ATOM 0 HD23 LEU A 51 33.301 -42.854 -67.207 1.00 70.15 H new ATOM 759 N ILE A 52 36.031 -39.570 -67.711 1.00 11.40 N ATOM 760 CA ILE A 52 35.239 -38.433 -68.165 1.00 5.11 C ATOM 761 C ILE A 52 34.718 -38.656 -69.580 1.00 71.34 C ATOM 762 O ILE A 52 35.491 -38.712 -70.536 1.00 32.22 O ATOM 763 CB ILE A 52 36.057 -37.128 -68.131 1.00 62.23 C ATOM 764 CG1 ILE A 52 37.397 -37.322 -68.844 1.00 23.12 C ATOM 765 CG2 ILE A 52 36.275 -36.677 -66.695 1.00 3.21 C ATOM 766 CD1 ILE A 52 37.689 -36.261 -69.882 1.00 33.20 C ATOM 0 H ILE A 52 36.790 -39.834 -68.339 1.00 11.40 H new ATOM 0 HA ILE A 52 34.396 -38.342 -67.480 1.00 5.11 H new ATOM 0 HB ILE A 52 35.498 -36.352 -68.654 1.00 62.23 H new ATOM 0 HG12 ILE A 52 38.197 -37.324 -68.103 1.00 23.12 H new ATOM 0 HG13 ILE A 52 37.405 -38.300 -69.324 1.00 23.12 H new ATOM 0 HG21 ILE A 52 36.854 -35.754 -66.688 1.00 3.21 H new ATOM 0 HG22 ILE A 52 35.311 -36.504 -66.218 1.00 3.21 H new ATOM 0 HG23 ILE A 52 36.817 -37.450 -66.149 1.00 3.21 H new ATOM 0 HD11 ILE A 52 38.654 -36.462 -70.346 1.00 33.20 H new ATOM 0 HD12 ILE A 52 36.910 -36.274 -70.644 1.00 33.20 H new ATOM 0 HD13 ILE A 52 37.713 -35.282 -69.404 1.00 33.20 H new ATOM 778 N ASN A 53 33.401 -38.782 -69.707 1.00 12.22 N ATOM 779 CA ASN A 53 32.775 -38.998 -71.006 1.00 51.23 C ATOM 780 C ASN A 53 31.959 -37.779 -71.426 1.00 60.04 C ATOM 781 O ASN A 53 31.086 -37.320 -70.690 1.00 11.20 O ATOM 782 CB ASN A 53 31.878 -40.236 -70.964 1.00 35.32 C ATOM 783 CG ASN A 53 30.423 -39.906 -71.235 1.00 54.42 C ATOM 784 OD1 ASN A 53 29.630 -39.736 -70.309 1.00 12.12 O ATOM 785 ND2 ASN A 53 30.065 -39.813 -72.511 1.00 1.02 N ATOM 0 H ASN A 53 32.747 -38.738 -68.926 1.00 12.22 H new ATOM 0 HA ASN A 53 33.565 -39.155 -71.740 1.00 51.23 H new ATOM 0 HB2 ASN A 53 32.227 -40.959 -71.701 1.00 35.32 H new ATOM 0 HB3 ASN A 53 31.964 -40.710 -69.986 1.00 35.32 H new ATOM 0 HD21 ASN A 53 29.099 -39.593 -72.755 1.00 1.02 H new ATOM 0 HD22 ASN A 53 30.756 -39.962 -73.247 1.00 1.02 H new ATOM 792 N ASP A 54 32.249 -37.261 -72.615 1.00 4.34 N ATOM 793 CA ASP A 54 31.542 -36.096 -73.134 1.00 70.23 C ATOM 794 C ASP A 54 30.650 -36.482 -74.310 1.00 32.41 C ATOM 795 O ASP A 54 29.550 -35.953 -74.468 1.00 11.45 O ATOM 796 CB ASP A 54 32.538 -35.019 -73.566 1.00 52.33 C ATOM 797 CG ASP A 54 32.302 -33.697 -72.862 1.00 4.01 C ATOM 798 OD1 ASP A 54 32.422 -33.658 -71.620 1.00 14.23 O ATOM 799 OD2 ASP A 54 31.998 -32.702 -73.553 1.00 1.01 O ATOM 0 H ASP A 54 32.968 -37.629 -73.237 1.00 4.34 H new ATOM 0 HA ASP A 54 30.912 -35.699 -72.338 1.00 70.23 H new ATOM 0 HB2 ASP A 54 33.552 -35.362 -73.359 1.00 52.33 H new ATOM 0 HB3 ASP A 54 32.465 -34.872 -74.644 1.00 52.33 H new ATOM 804 N SER A 55 31.132 -37.408 -75.133 1.00 72.01 N ATOM 805 CA SER A 55 30.380 -37.862 -76.297 1.00 42.34 C ATOM 806 C SER A 55 29.887 -36.676 -77.121 1.00 61.24 C ATOM 807 O SER A 55 30.301 -35.537 -76.902 1.00 21.43 O ATOM 808 CB SER A 55 29.193 -38.723 -75.861 1.00 4.22 C ATOM 809 OG SER A 55 28.926 -39.741 -76.809 1.00 71.13 O ATOM 0 H SER A 55 32.040 -37.858 -75.015 1.00 72.01 H new ATOM 0 HA SER A 55 31.046 -38.462 -76.917 1.00 42.34 H new ATOM 0 HB2 SER A 55 29.403 -39.172 -74.890 1.00 4.22 H new ATOM 0 HB3 SER A 55 28.310 -38.095 -75.738 1.00 4.22 H new ATOM 0 HG SER A 55 28.674 -40.565 -76.342 1.00 71.13 H new ATOM 815 N HIS A 56 28.999 -36.952 -78.072 1.00 25.34 N ATOM 816 CA HIS A 56 28.448 -35.909 -78.929 1.00 63.34 C ATOM 817 C HIS A 56 26.999 -36.215 -79.294 1.00 34.14 C ATOM 818 O HIS A 56 26.728 -36.996 -80.206 1.00 31.53 O ATOM 819 CB HIS A 56 29.287 -35.769 -80.200 1.00 51.41 C ATOM 820 CG HIS A 56 29.095 -34.460 -80.903 1.00 11.14 C ATOM 821 ND1 HIS A 56 29.753 -33.305 -80.536 1.00 24.21 N ATOM 822 CD2 HIS A 56 28.314 -34.127 -81.957 1.00 32.13 C ATOM 823 CE1 HIS A 56 29.384 -32.318 -81.333 1.00 23.42 C ATOM 824 NE2 HIS A 56 28.512 -32.791 -82.204 1.00 55.03 N ATOM 0 H HIS A 56 28.646 -37.889 -78.268 1.00 25.34 H new ATOM 0 HA HIS A 56 28.475 -34.969 -78.379 1.00 63.34 H new ATOM 0 HB2 HIS A 56 30.340 -35.884 -79.945 1.00 51.41 H new ATOM 0 HB3 HIS A 56 29.034 -36.580 -80.883 1.00 51.41 H new ATOM 0 HD2 HIS A 56 27.657 -34.789 -82.502 1.00 32.13 H new ATOM 0 HE1 HIS A 56 29.736 -31.298 -81.281 1.00 23.42 H new ATOM 0 HE2 HIS A 56 28.059 -32.251 -82.941 1.00 55.03 H new ATOM 1069 N THR A 75 38.920 -35.171 -78.613 1.00 74.44 N ATOM 1070 CA THR A 75 38.693 -36.274 -77.688 1.00 23.22 C ATOM 1071 C THR A 75 37.682 -35.892 -76.614 1.00 14.44 C ATOM 1072 O THR A 75 37.773 -34.820 -76.014 1.00 21.13 O ATOM 1073 CB THR A 75 40.004 -36.716 -77.009 1.00 14.31 C ATOM 1074 OG1 THR A 75 40.211 -35.964 -75.808 1.00 52.41 O ATOM 1075 CG2 THR A 75 41.188 -36.525 -77.944 1.00 4.23 C ATOM 0 HA THR A 75 38.299 -37.103 -78.275 1.00 23.22 H new ATOM 0 HB THR A 75 39.922 -37.775 -76.764 1.00 14.31 H new ATOM 0 HG1 THR A 75 39.739 -35.108 -75.873 1.00 52.41 H new ATOM 0 HG21 THR A 75 42.102 -36.844 -77.443 1.00 4.23 H new ATOM 0 HG22 THR A 75 41.041 -37.122 -78.844 1.00 4.23 H new ATOM 0 HG23 THR A 75 41.271 -35.473 -78.216 1.00 4.23 H new ATOM 1083 N HIS A 76 36.717 -36.774 -76.374 1.00 71.45 N ATOM 1084 CA HIS A 76 35.688 -36.529 -75.370 1.00 72.03 C ATOM 1085 C HIS A 76 35.755 -37.571 -74.258 1.00 2.34 C ATOM 1086 O HIS A 76 35.171 -37.391 -73.189 1.00 33.10 O ATOM 1087 CB HIS A 76 34.302 -36.544 -76.016 1.00 32.13 C ATOM 1088 CG HIS A 76 33.975 -35.288 -76.763 1.00 3.33 C ATOM 1089 ND1 HIS A 76 34.656 -34.103 -76.577 1.00 63.11 N ATOM 1090 CD2 HIS A 76 33.035 -35.036 -77.703 1.00 15.32 C ATOM 1091 CE1 HIS A 76 34.147 -33.176 -77.369 1.00 65.53 C ATOM 1092 NE2 HIS A 76 33.162 -33.717 -78.063 1.00 41.13 N ATOM 0 H HIS A 76 36.626 -37.665 -76.862 1.00 71.45 H new ATOM 0 HA HIS A 76 35.867 -35.546 -74.934 1.00 72.03 H new ATOM 0 HB2 HIS A 76 34.238 -37.390 -76.700 1.00 32.13 H new ATOM 0 HB3 HIS A 76 33.551 -36.702 -75.242 1.00 32.13 H new ATOM 0 HD2 HIS A 76 32.318 -35.741 -78.097 1.00 15.32 H new ATOM 0 HE1 HIS A 76 34.480 -32.151 -77.437 1.00 65.53 H new ATOM 0 HE2 HIS A 76 32.589 -33.233 -78.754 1.00 41.13 H new ATOM 1100 N PHE A 77 36.471 -38.660 -74.516 1.00 61.00 N ATOM 1101 CA PHE A 77 36.613 -39.731 -73.537 1.00 63.41 C ATOM 1102 C PHE A 77 38.053 -39.826 -73.039 1.00 54.22 C ATOM 1103 O PHE A 77 38.998 -39.768 -73.826 1.00 12.22 O ATOM 1104 CB PHE A 77 36.184 -41.068 -74.146 1.00 52.20 C ATOM 1105 CG PHE A 77 35.207 -41.828 -73.295 1.00 24.21 C ATOM 1106 CD1 PHE A 77 35.497 -42.112 -71.970 1.00 3.31 C ATOM 1107 CD2 PHE A 77 34.000 -42.259 -73.819 1.00 55.05 C ATOM 1108 CE1 PHE A 77 34.601 -42.812 -71.185 1.00 11.01 C ATOM 1109 CE2 PHE A 77 33.099 -42.959 -73.039 1.00 71.31 C ATOM 1110 CZ PHE A 77 33.400 -43.235 -71.720 1.00 32.23 C ATOM 0 H PHE A 77 36.962 -38.824 -75.395 1.00 61.00 H new ATOM 0 HA PHE A 77 35.968 -39.501 -72.689 1.00 63.41 H new ATOM 0 HB2 PHE A 77 35.738 -40.886 -75.124 1.00 52.20 H new ATOM 0 HB3 PHE A 77 37.068 -41.684 -74.309 1.00 52.20 H new ATOM 0 HD1 PHE A 77 36.434 -41.782 -71.546 1.00 3.31 H new ATOM 0 HD2 PHE A 77 33.760 -42.046 -74.850 1.00 55.05 H new ATOM 0 HE1 PHE A 77 34.840 -43.028 -70.154 1.00 11.01 H new ATOM 0 HE2 PHE A 77 32.161 -43.290 -73.460 1.00 71.31 H new ATOM 0 HZ PHE A 77 32.697 -43.781 -71.108 1.00 32.23 H new ATOM 1120 N ARG A 78 38.210 -39.971 -71.728 1.00 3.24 N ATOM 1121 CA ARG A 78 39.533 -40.071 -71.124 1.00 25.23 C ATOM 1122 C ARG A 78 39.496 -40.949 -69.876 1.00 4.42 C ATOM 1123 O ARG A 78 38.615 -40.804 -69.028 1.00 13.21 O ATOM 1124 CB ARG A 78 40.062 -38.681 -70.767 1.00 15.52 C ATOM 1125 CG ARG A 78 40.435 -38.528 -69.301 1.00 73.43 C ATOM 1126 CD ARG A 78 40.917 -37.119 -68.992 1.00 74.55 C ATOM 1127 NE ARG A 78 42.278 -37.110 -68.463 1.00 72.24 N ATOM 1128 CZ ARG A 78 42.933 -36.001 -68.141 1.00 2.23 C ATOM 1129 NH1 ARG A 78 42.355 -34.817 -68.292 1.00 71.40 N ATOM 1130 NH2 ARG A 78 44.170 -36.074 -67.665 1.00 12.10 N ATOM 0 H ARG A 78 37.438 -40.022 -71.064 1.00 3.24 H new ATOM 0 HA ARG A 78 40.202 -40.530 -71.851 1.00 25.23 H new ATOM 0 HB2 ARG A 78 40.937 -38.466 -71.380 1.00 15.52 H new ATOM 0 HB3 ARG A 78 39.306 -37.938 -71.020 1.00 15.52 H new ATOM 0 HG2 ARG A 78 39.572 -38.763 -68.679 1.00 73.43 H new ATOM 0 HG3 ARG A 78 41.216 -39.245 -69.047 1.00 73.43 H new ATOM 0 HD2 ARG A 78 40.876 -36.515 -69.898 1.00 74.55 H new ATOM 0 HD3 ARG A 78 40.244 -36.656 -68.270 1.00 74.55 H new ATOM 0 HE ARG A 78 42.751 -38.004 -68.334 1.00 72.24 H new ATOM 0 HH11 ARG A 78 41.404 -34.756 -68.657 1.00 71.40 H new ATOM 0 HH12 ARG A 78 42.861 -33.967 -68.044 1.00 71.40 H new ATOM 0 HH21 ARG A 78 44.618 -36.983 -67.546 1.00 12.10 H new ATOM 0 HH22 ARG A 78 44.672 -35.221 -67.418 1.00 12.10 H new ATOM 1144 N LEU A 79 40.458 -41.859 -69.770 1.00 43.32 N ATOM 1145 CA LEU A 79 40.536 -42.761 -68.626 1.00 50.51 C ATOM 1146 C LEU A 79 41.892 -42.650 -67.937 1.00 63.41 C ATOM 1147 O LEU A 79 42.935 -42.796 -68.573 1.00 45.34 O ATOM 1148 CB LEU A 79 40.293 -44.204 -69.072 1.00 2.42 C ATOM 1149 CG LEU A 79 39.703 -45.141 -68.018 1.00 20.30 C ATOM 1150 CD1 LEU A 79 39.579 -46.553 -68.569 1.00 64.31 C ATOM 1151 CD2 LEU A 79 40.556 -45.131 -66.758 1.00 31.43 C ATOM 0 H LEU A 79 41.195 -41.992 -70.462 1.00 43.32 H new ATOM 0 HA LEU A 79 39.763 -42.473 -67.913 1.00 50.51 H new ATOM 0 HB2 LEU A 79 39.624 -44.190 -69.932 1.00 2.42 H new ATOM 0 HB3 LEU A 79 41.240 -44.623 -69.412 1.00 2.42 H new ATOM 0 HG LEU A 79 38.706 -44.785 -67.760 1.00 20.30 H new ATOM 0 HD11 LEU A 79 39.157 -47.206 -67.805 1.00 64.31 H new ATOM 0 HD12 LEU A 79 38.926 -46.547 -69.442 1.00 64.31 H new ATOM 0 HD13 LEU A 79 40.565 -46.920 -68.856 1.00 64.31 H new ATOM 0 HD21 LEU A 79 40.121 -45.804 -66.019 1.00 31.43 H new ATOM 0 HD22 LEU A 79 41.566 -45.462 -67.000 1.00 31.43 H new ATOM 0 HD23 LEU A 79 40.593 -44.120 -66.352 1.00 31.43 H new ATOM 1163 N GLU A 80 41.869 -42.395 -66.633 1.00 12.13 N ATOM 1164 CA GLU A 80 43.097 -42.267 -65.858 1.00 24.13 C ATOM 1165 C GLU A 80 42.942 -42.908 -64.482 1.00 32.14 C ATOM 1166 O GLU A 80 42.035 -42.564 -63.723 1.00 62.21 O ATOM 1167 CB GLU A 80 43.480 -40.793 -65.706 1.00 32.43 C ATOM 1168 CG GLU A 80 44.210 -40.485 -64.410 1.00 2.34 C ATOM 1169 CD GLU A 80 45.456 -41.329 -64.227 1.00 5.01 C ATOM 1170 OE1 GLU A 80 46.201 -41.510 -65.213 1.00 33.51 O ATOM 1171 OE2 GLU A 80 45.687 -41.808 -63.097 1.00 22.02 O ATOM 0 H GLU A 80 41.014 -42.273 -66.091 1.00 12.13 H new ATOM 0 HA GLU A 80 43.890 -42.787 -66.395 1.00 24.13 H new ATOM 0 HB2 GLU A 80 44.110 -40.501 -66.546 1.00 32.43 H new ATOM 0 HB3 GLU A 80 42.577 -40.184 -65.758 1.00 32.43 H new ATOM 0 HG2 GLU A 80 44.485 -39.430 -64.394 1.00 2.34 H new ATOM 0 HG3 GLU A 80 43.536 -40.652 -63.570 1.00 2.34 H new ATOM 1178 N VAL A 81 43.833 -43.843 -64.166 1.00 52.25 N ATOM 1179 CA VAL A 81 43.796 -44.532 -62.882 1.00 71.33 C ATOM 1180 C VAL A 81 45.114 -44.370 -62.134 1.00 31.35 C ATOM 1181 O VAL A 81 46.192 -44.517 -62.711 1.00 53.31 O ATOM 1182 CB VAL A 81 43.500 -46.033 -63.060 1.00 31.45 C ATOM 1183 CG1 VAL A 81 42.310 -46.238 -63.985 1.00 43.42 C ATOM 1184 CG2 VAL A 81 44.728 -46.759 -63.588 1.00 31.42 C ATOM 0 H VAL A 81 44.589 -44.140 -64.782 1.00 52.25 H new ATOM 0 HA VAL A 81 42.994 -44.077 -62.301 1.00 71.33 H new ATOM 0 HB VAL A 81 43.248 -46.453 -62.086 1.00 31.45 H new ATOM 0 HG11 VAL A 81 42.117 -47.305 -64.098 1.00 43.42 H new ATOM 0 HG12 VAL A 81 41.431 -45.753 -63.560 1.00 43.42 H new ATOM 0 HG13 VAL A 81 42.528 -45.803 -64.960 1.00 43.42 H new ATOM 0 HG21 VAL A 81 44.501 -47.818 -63.708 1.00 31.42 H new ATOM 0 HG22 VAL A 81 45.013 -46.338 -64.552 1.00 31.42 H new ATOM 0 HG23 VAL A 81 45.551 -46.642 -62.883 1.00 31.42 H new ATOM 1194 N THR A 82 45.021 -44.067 -60.842 1.00 65.33 N ATOM 1195 CA THR A 82 46.206 -43.885 -60.013 1.00 41.44 C ATOM 1196 C THR A 82 46.227 -44.879 -58.858 1.00 4.31 C ATOM 1197 O THR A 82 45.386 -44.821 -57.961 1.00 41.23 O ATOM 1198 CB THR A 82 46.280 -42.454 -59.446 1.00 71.25 C ATOM 1199 OG1 THR A 82 46.333 -41.505 -60.517 1.00 50.02 O ATOM 1200 CG2 THR A 82 47.501 -42.288 -58.554 1.00 34.21 C ATOM 0 H THR A 82 44.137 -43.943 -60.348 1.00 65.33 H new ATOM 0 HA THR A 82 47.070 -44.059 -60.654 1.00 41.44 H new ATOM 0 HB THR A 82 45.386 -42.277 -58.848 1.00 71.25 H new ATOM 0 HG1 THR A 82 46.153 -41.960 -61.366 1.00 50.02 H new ATOM 0 HG21 THR A 82 47.532 -41.270 -58.165 1.00 34.21 H new ATOM 0 HG22 THR A 82 47.443 -42.992 -57.724 1.00 34.21 H new ATOM 0 HG23 THR A 82 48.404 -42.483 -59.133 1.00 34.21 H new ATOM 1208 N SER A 83 47.195 -45.790 -58.885 1.00 53.11 N ATOM 1209 CA SER A 83 47.323 -46.799 -57.841 1.00 24.34 C ATOM 1210 C SER A 83 48.655 -46.657 -57.109 1.00 34.21 C ATOM 1211 O SER A 83 49.707 -47.017 -57.636 1.00 61.14 O ATOM 1212 CB SER A 83 47.205 -48.202 -58.440 1.00 43.12 C ATOM 1213 OG SER A 83 46.661 -48.153 -59.748 1.00 31.54 O ATOM 0 H SER A 83 47.901 -45.850 -59.618 1.00 53.11 H new ATOM 0 HA SER A 83 46.516 -46.649 -57.124 1.00 24.34 H new ATOM 0 HB2 SER A 83 48.188 -48.673 -58.469 1.00 43.12 H new ATOM 0 HB3 SER A 83 46.574 -48.821 -57.803 1.00 43.12 H new ATOM 0 HG SER A 83 45.743 -47.811 -59.708 1.00 31.54 H new ATOM 1219 N ASP A 84 48.599 -46.130 -55.891 1.00 3.12 N ATOM 1220 CA ASP A 84 49.800 -45.940 -55.085 1.00 34.45 C ATOM 1221 C ASP A 84 50.683 -44.845 -55.674 1.00 33.00 C ATOM 1222 O ASP A 84 51.795 -44.610 -55.202 1.00 52.14 O ATOM 1223 CB ASP A 84 50.586 -47.249 -54.986 1.00 54.32 C ATOM 1224 CG ASP A 84 50.700 -47.750 -53.560 1.00 15.21 C ATOM 1225 OD1 ASP A 84 50.988 -46.929 -52.664 1.00 41.04 O ATOM 1226 OD2 ASP A 84 50.501 -48.963 -53.339 1.00 71.12 O ATOM 0 H ASP A 84 47.736 -45.827 -55.440 1.00 3.12 H new ATOM 0 HA ASP A 84 49.492 -45.634 -54.085 1.00 34.45 H new ATOM 0 HB2 ASP A 84 50.099 -48.009 -55.597 1.00 54.32 H new ATOM 0 HB3 ASP A 84 51.585 -47.102 -55.397 1.00 54.32 H new ATOM 1231 N ALA A 85 50.180 -44.179 -56.708 1.00 72.13 N ATOM 1232 CA ALA A 85 50.922 -43.108 -57.361 1.00 64.35 C ATOM 1233 C ALA A 85 52.377 -43.507 -57.586 1.00 2.44 C ATOM 1234 O ALA A 85 53.263 -43.113 -56.826 1.00 61.34 O ATOM 1235 CB ALA A 85 50.844 -41.832 -56.537 1.00 34.12 C ATOM 0 H ALA A 85 49.261 -44.362 -57.112 1.00 72.13 H new ATOM 0 HA ALA A 85 50.467 -42.926 -58.335 1.00 64.35 H new ATOM 0 HB1 ALA A 85 51.403 -41.041 -57.037 1.00 34.12 H new ATOM 0 HB2 ALA A 85 49.802 -41.530 -56.432 1.00 34.12 H new ATOM 0 HB3 ALA A 85 51.271 -42.010 -55.550 1.00 34.12 H new ATOM 1241 N PHE A 86 52.617 -44.290 -58.632 1.00 11.10 N ATOM 1242 CA PHE A 86 53.965 -44.743 -58.955 1.00 32.11 C ATOM 1243 C PHE A 86 53.953 -45.656 -60.178 1.00 5.42 C ATOM 1244 O PHE A 86 53.930 -46.880 -60.053 1.00 64.32 O ATOM 1245 CB PHE A 86 54.578 -45.479 -57.761 1.00 41.55 C ATOM 1246 CG PHE A 86 55.666 -44.704 -57.074 1.00 50.44 C ATOM 1247 CD1 PHE A 86 56.744 -44.212 -57.792 1.00 62.35 C ATOM 1248 CD2 PHE A 86 55.611 -44.467 -55.710 1.00 75.03 C ATOM 1249 CE1 PHE A 86 57.747 -43.498 -57.163 1.00 71.54 C ATOM 1250 CE2 PHE A 86 56.610 -43.754 -55.076 1.00 11.41 C ATOM 1251 CZ PHE A 86 57.680 -43.270 -55.803 1.00 50.21 C ATOM 0 H PHE A 86 51.896 -44.624 -59.271 1.00 11.10 H new ATOM 0 HA PHE A 86 54.572 -43.867 -59.183 1.00 32.11 H new ATOM 0 HB2 PHE A 86 53.792 -45.703 -57.040 1.00 41.55 H new ATOM 0 HB3 PHE A 86 54.981 -46.433 -58.100 1.00 41.55 H new ATOM 0 HD1 PHE A 86 56.801 -44.388 -58.856 1.00 62.35 H new ATOM 0 HD2 PHE A 86 54.778 -44.844 -55.136 1.00 75.03 H new ATOM 0 HE1 PHE A 86 58.581 -43.119 -57.735 1.00 71.54 H new ATOM 0 HE2 PHE A 86 56.554 -43.575 -54.012 1.00 11.41 H new ATOM 0 HZ PHE A 86 58.463 -42.714 -55.308 1.00 50.21 H new ATOM 1261 N LYS A 87 53.969 -45.050 -61.360 1.00 63.14 N ATOM 1262 CA LYS A 87 53.962 -45.806 -62.607 1.00 54.45 C ATOM 1263 C LYS A 87 55.214 -46.668 -62.729 1.00 40.31 C ATOM 1264 O LYS A 87 56.334 -46.173 -62.607 1.00 31.43 O ATOM 1265 CB LYS A 87 53.866 -44.855 -63.803 1.00 51.00 C ATOM 1266 CG LYS A 87 54.374 -45.458 -65.101 1.00 53.44 C ATOM 1267 CD LYS A 87 55.842 -45.138 -65.328 1.00 31.02 C ATOM 1268 CE LYS A 87 56.024 -44.100 -66.424 1.00 53.15 C ATOM 1269 NZ LYS A 87 56.379 -44.726 -67.728 1.00 34.30 N ATOM 0 H LYS A 87 53.987 -44.037 -61.481 1.00 63.14 H new ATOM 0 HA LYS A 87 53.091 -46.461 -62.600 1.00 54.45 H new ATOM 0 HB2 LYS A 87 52.827 -44.553 -63.934 1.00 51.00 H new ATOM 0 HB3 LYS A 87 54.435 -43.951 -63.585 1.00 51.00 H new ATOM 0 HG2 LYS A 87 54.235 -46.539 -65.080 1.00 53.44 H new ATOM 0 HG3 LYS A 87 53.785 -45.077 -65.935 1.00 53.44 H new ATOM 0 HD2 LYS A 87 56.283 -44.771 -64.401 1.00 31.02 H new ATOM 0 HD3 LYS A 87 56.377 -46.049 -65.596 1.00 31.02 H new ATOM 0 HE2 LYS A 87 55.105 -43.525 -66.536 1.00 53.15 H new ATOM 0 HE3 LYS A 87 56.806 -43.398 -66.133 1.00 53.15 H new ATOM 0 HZ1 LYS A 87 56.494 -43.985 -68.449 1.00 34.30 H new ATOM 0 HZ2 LYS A 87 57.269 -45.254 -67.629 1.00 34.30 H new ATOM 0 HZ3 LYS A 87 55.621 -45.377 -68.018 1.00 34.30 H new ATOM 1283 N GLY A 88 55.016 -47.960 -62.972 1.00 44.03 N ATOM 1284 CA GLY A 88 56.139 -48.869 -63.108 1.00 21.51 C ATOM 1285 C GLY A 88 55.903 -49.928 -64.167 1.00 42.10 C ATOM 1286 O GLY A 88 56.525 -49.903 -65.230 1.00 40.41 O ATOM 0 H GLY A 88 54.099 -48.393 -63.077 1.00 44.03 H new ATOM 0 HA2 GLY A 88 57.034 -48.300 -63.360 1.00 21.51 H new ATOM 0 HA3 GLY A 88 56.328 -49.353 -62.150 1.00 21.51 H new ATOM 1290 N LEU A 89 55.004 -50.862 -63.878 1.00 22.04 N ATOM 1291 CA LEU A 89 54.689 -51.936 -64.813 1.00 74.00 C ATOM 1292 C LEU A 89 53.799 -51.429 -65.944 1.00 33.44 C ATOM 1293 O LEU A 89 53.160 -50.383 -65.825 1.00 61.11 O ATOM 1294 CB LEU A 89 53.998 -53.089 -64.082 1.00 53.24 C ATOM 1295 CG LEU A 89 52.717 -52.733 -63.327 1.00 11.23 C ATOM 1296 CD1 LEU A 89 51.523 -52.734 -64.269 1.00 43.10 C ATOM 1297 CD2 LEU A 89 52.491 -53.702 -62.175 1.00 55.51 C ATOM 0 H LEU A 89 54.480 -50.897 -63.003 1.00 22.04 H new ATOM 0 HA LEU A 89 55.623 -52.296 -65.244 1.00 74.00 H new ATOM 0 HB2 LEU A 89 53.763 -53.865 -64.810 1.00 53.24 H new ATOM 0 HB3 LEU A 89 54.706 -53.520 -63.374 1.00 53.24 H new ATOM 0 HG LEU A 89 52.827 -51.730 -62.916 1.00 11.23 H new ATOM 0 HD11 LEU A 89 50.621 -52.478 -63.713 1.00 43.10 H new ATOM 0 HD12 LEU A 89 51.682 -52.000 -65.059 1.00 43.10 H new ATOM 0 HD13 LEU A 89 51.409 -53.724 -64.711 1.00 43.10 H new ATOM 0 HD21 LEU A 89 51.575 -53.434 -61.648 1.00 55.51 H new ATOM 0 HD22 LEU A 89 52.402 -54.716 -62.565 1.00 55.51 H new ATOM 0 HD23 LEU A 89 53.334 -53.651 -61.486 1.00 55.51 H new ATOM 1309 N THR A 90 53.759 -52.180 -67.040 1.00 42.34 N ATOM 1310 CA THR A 90 52.947 -51.808 -68.192 1.00 0.10 C ATOM 1311 C THR A 90 51.587 -51.276 -67.756 1.00 54.54 C ATOM 1312 O THR A 90 50.861 -51.933 -67.009 1.00 64.30 O ATOM 1313 CB THR A 90 52.738 -53.003 -69.141 1.00 41.34 C ATOM 1314 OG1 THR A 90 52.038 -52.578 -70.316 1.00 75.40 O ATOM 1315 CG2 THR A 90 51.958 -54.112 -68.452 1.00 54.41 C ATOM 0 H THR A 90 54.280 -53.050 -67.154 1.00 42.34 H new ATOM 0 HA THR A 90 53.489 -51.024 -68.721 1.00 0.10 H new ATOM 0 HB THR A 90 53.717 -53.391 -69.422 1.00 41.34 H new ATOM 0 HG1 THR A 90 52.248 -53.183 -71.058 1.00 75.40 H new ATOM 0 HG21 THR A 90 51.823 -54.945 -69.142 1.00 54.41 H new ATOM 0 HG22 THR A 90 52.508 -54.453 -67.575 1.00 54.41 H new ATOM 0 HG23 THR A 90 50.983 -53.734 -68.144 1.00 54.41 H new ATOM 1323 N LEU A 91 51.245 -50.082 -68.228 1.00 42.43 N ATOM 1324 CA LEU A 91 49.970 -49.461 -67.888 1.00 12.41 C ATOM 1325 C LEU A 91 48.816 -50.165 -68.594 1.00 14.20 C ATOM 1326 O LEU A 91 47.707 -50.247 -68.064 1.00 43.24 O ATOM 1327 CB LEU A 91 49.985 -47.978 -68.265 1.00 62.21 C ATOM 1328 CG LEU A 91 49.746 -47.659 -69.741 1.00 41.22 C ATOM 1329 CD1 LEU A 91 49.369 -46.196 -69.917 1.00 34.05 C ATOM 1330 CD2 LEU A 91 50.979 -47.996 -70.566 1.00 45.24 C ATOM 0 H LEU A 91 51.833 -49.525 -68.847 1.00 42.43 H new ATOM 0 HA LEU A 91 49.825 -49.554 -66.812 1.00 12.41 H new ATOM 0 HB2 LEU A 91 49.225 -47.466 -67.675 1.00 62.21 H new ATOM 0 HB3 LEU A 91 50.949 -47.559 -67.975 1.00 62.21 H new ATOM 0 HG LEU A 91 48.917 -48.272 -70.095 1.00 41.22 H new ATOM 0 HD11 LEU A 91 49.203 -45.988 -70.974 1.00 34.05 H new ATOM 0 HD12 LEU A 91 48.457 -45.985 -69.358 1.00 34.05 H new ATOM 0 HD13 LEU A 91 50.176 -45.565 -69.545 1.00 34.05 H new ATOM 0 HD21 LEU A 91 50.791 -47.762 -71.614 1.00 45.24 H new ATOM 0 HD22 LEU A 91 51.826 -47.410 -70.210 1.00 45.24 H new ATOM 0 HD23 LEU A 91 51.205 -49.058 -70.466 1.00 45.24 H new ATOM 1342 N VAL A 92 49.084 -50.674 -69.792 1.00 51.12 N ATOM 1343 CA VAL A 92 48.069 -51.375 -70.570 1.00 10.51 C ATOM 1344 C VAL A 92 47.509 -52.564 -69.798 1.00 13.43 C ATOM 1345 O VAL A 92 46.408 -53.038 -70.079 1.00 60.20 O ATOM 1346 CB VAL A 92 48.635 -51.870 -71.914 1.00 53.11 C ATOM 1347 CG1 VAL A 92 49.362 -50.745 -72.635 1.00 15.21 C ATOM 1348 CG2 VAL A 92 49.558 -53.059 -71.697 1.00 71.33 C ATOM 0 H VAL A 92 49.996 -50.614 -70.245 1.00 51.12 H new ATOM 0 HA VAL A 92 47.268 -50.661 -70.762 1.00 10.51 H new ATOM 0 HB VAL A 92 47.804 -52.193 -72.541 1.00 53.11 H new ATOM 0 HG11 VAL A 92 49.755 -51.114 -73.582 1.00 15.21 H new ATOM 0 HG12 VAL A 92 48.668 -49.926 -72.824 1.00 15.21 H new ATOM 0 HG13 VAL A 92 50.185 -50.388 -72.016 1.00 15.21 H new ATOM 0 HG21 VAL A 92 49.949 -53.396 -72.657 1.00 71.33 H new ATOM 0 HG22 VAL A 92 50.385 -52.764 -71.051 1.00 71.33 H new ATOM 0 HG23 VAL A 92 49.002 -53.870 -71.227 1.00 71.33 H new ATOM 1358 N LYS A 93 48.273 -53.041 -68.822 1.00 21.35 N ATOM 1359 CA LYS A 93 47.854 -54.175 -68.006 1.00 13.55 C ATOM 1360 C LYS A 93 46.654 -53.806 -67.138 1.00 63.11 C ATOM 1361 O LYS A 93 45.654 -54.523 -67.109 1.00 21.32 O ATOM 1362 CB LYS A 93 49.010 -54.648 -67.121 1.00 75.35 C ATOM 1363 CG LYS A 93 48.571 -55.544 -65.976 1.00 64.40 C ATOM 1364 CD LYS A 93 48.549 -54.792 -64.656 1.00 51.33 C ATOM 1365 CE LYS A 93 49.519 -55.396 -63.653 1.00 64.22 C ATOM 1366 NZ LYS A 93 48.994 -56.660 -63.066 1.00 4.12 N ATOM 0 H LYS A 93 49.187 -52.660 -68.576 1.00 21.35 H new ATOM 0 HA LYS A 93 47.562 -54.984 -68.675 1.00 13.55 H new ATOM 0 HB2 LYS A 93 49.731 -55.186 -67.736 1.00 75.35 H new ATOM 0 HB3 LYS A 93 49.525 -53.778 -66.714 1.00 75.35 H new ATOM 0 HG2 LYS A 93 47.578 -55.943 -66.185 1.00 64.40 H new ATOM 0 HG3 LYS A 93 49.247 -56.396 -65.899 1.00 64.40 H new ATOM 0 HD2 LYS A 93 48.806 -53.747 -64.828 1.00 51.33 H new ATOM 0 HD3 LYS A 93 47.540 -54.809 -64.243 1.00 51.33 H new ATOM 0 HE2 LYS A 93 50.473 -55.592 -64.143 1.00 64.22 H new ATOM 0 HE3 LYS A 93 49.711 -54.678 -62.856 1.00 64.22 H new ATOM 0 HZ1 LYS A 93 49.684 -57.041 -62.387 1.00 4.12 H new ATOM 0 HZ2 LYS A 93 48.096 -56.469 -62.577 1.00 4.12 H new ATOM 0 HZ3 LYS A 93 48.834 -57.354 -63.823 1.00 4.12 H new ATOM 1380 N ARG A 94 46.761 -52.684 -66.435 1.00 0.34 N ATOM 1381 CA ARG A 94 45.685 -52.220 -65.567 1.00 72.51 C ATOM 1382 C ARG A 94 44.419 -51.942 -66.372 1.00 71.34 C ATOM 1383 O ARG A 94 43.328 -52.379 -66.005 1.00 31.53 O ATOM 1384 CB ARG A 94 46.113 -50.958 -64.817 1.00 51.44 C ATOM 1385 CG ARG A 94 46.813 -51.240 -63.498 1.00 73.21 C ATOM 1386 CD ARG A 94 45.816 -51.582 -62.401 1.00 44.51 C ATOM 1387 NE ARG A 94 44.847 -50.510 -62.189 1.00 42.20 N ATOM 1388 CZ ARG A 94 43.743 -50.650 -61.464 1.00 60.31 C ATOM 1389 NH1 ARG A 94 43.470 -51.811 -60.884 1.00 52.05 N ATOM 1390 NH2 ARG A 94 42.910 -49.628 -61.317 1.00 73.13 N ATOM 0 H ARG A 94 47.582 -52.079 -66.449 1.00 0.34 H new ATOM 0 HA ARG A 94 45.470 -53.007 -64.845 1.00 72.51 H new ATOM 0 HB2 ARG A 94 46.778 -50.375 -65.454 1.00 51.44 H new ATOM 0 HB3 ARG A 94 45.234 -50.343 -64.627 1.00 51.44 H new ATOM 0 HG2 ARG A 94 47.513 -52.066 -63.625 1.00 73.21 H new ATOM 0 HG3 ARG A 94 47.398 -50.369 -63.201 1.00 73.21 H new ATOM 0 HD2 ARG A 94 45.290 -52.500 -62.663 1.00 44.51 H new ATOM 0 HD3 ARG A 94 46.352 -51.776 -61.472 1.00 44.51 H new ATOM 0 HE ARG A 94 45.028 -49.604 -62.621 1.00 42.20 H new ATOM 0 HH11 ARG A 94 44.108 -52.599 -60.994 1.00 52.05 H new ATOM 0 HH12 ARG A 94 42.622 -51.916 -60.328 1.00 52.05 H new ATOM 0 HH21 ARG A 94 43.117 -48.733 -61.761 1.00 73.13 H new ATOM 0 HH22 ARG A 94 42.062 -49.737 -60.760 1.00 73.13 H new ATOM 1404 N HIS A 95 44.572 -51.212 -67.472 1.00 50.14 N ATOM 1405 CA HIS A 95 43.441 -50.875 -68.330 1.00 62.31 C ATOM 1406 C HIS A 95 42.885 -52.123 -69.010 1.00 41.54 C ATOM 1407 O HIS A 95 41.713 -52.166 -69.384 1.00 64.01 O ATOM 1408 CB HIS A 95 43.861 -49.850 -69.384 1.00 14.44 C ATOM 1409 CG HIS A 95 43.520 -48.439 -69.015 1.00 13.41 C ATOM 1410 ND1 HIS A 95 43.485 -47.989 -67.712 1.00 3.51 N ATOM 1411 CD2 HIS A 95 43.198 -47.375 -69.787 1.00 44.45 C ATOM 1412 CE1 HIS A 95 43.156 -46.709 -67.699 1.00 30.21 C ATOM 1413 NE2 HIS A 95 42.977 -46.312 -68.946 1.00 31.41 N ATOM 0 H HIS A 95 45.468 -50.842 -67.790 1.00 50.14 H new ATOM 0 HA HIS A 95 42.659 -50.443 -67.706 1.00 62.31 H new ATOM 0 HB2 HIS A 95 44.937 -49.925 -69.544 1.00 14.44 H new ATOM 0 HB3 HIS A 95 43.380 -50.096 -70.331 1.00 14.44 H new ATOM 0 HD1 HIS A 95 43.682 -48.556 -66.887 1.00 3.51 H new ATOM 0 HD2 HIS A 95 43.128 -47.364 -70.865 1.00 44.45 H new ATOM 0 HE1 HIS A 95 43.051 -46.092 -66.818 1.00 30.21 H new ATOM 1421 N GLN A 96 43.734 -53.133 -69.168 1.00 31.10 N ATOM 1422 CA GLN A 96 43.327 -54.380 -69.805 1.00 13.02 C ATOM 1423 C GLN A 96 42.472 -55.219 -68.861 1.00 73.31 C ATOM 1424 O GLN A 96 41.566 -55.933 -69.295 1.00 45.24 O ATOM 1425 CB GLN A 96 44.556 -55.178 -70.244 1.00 55.24 C ATOM 1426 CG GLN A 96 44.227 -56.575 -70.745 1.00 34.13 C ATOM 1427 CD GLN A 96 45.271 -57.112 -71.703 1.00 72.45 C ATOM 1428 OE1 GLN A 96 45.492 -56.552 -72.777 1.00 55.42 O ATOM 1429 NE2 GLN A 96 45.920 -58.205 -71.320 1.00 64.30 N ATOM 0 H GLN A 96 44.707 -53.112 -68.864 1.00 31.10 H new ATOM 0 HA GLN A 96 42.731 -54.133 -70.683 1.00 13.02 H new ATOM 0 HB2 GLN A 96 45.072 -54.630 -71.033 1.00 55.24 H new ATOM 0 HB3 GLN A 96 45.247 -55.255 -69.405 1.00 55.24 H new ATOM 0 HG2 GLN A 96 44.138 -57.251 -69.894 1.00 34.13 H new ATOM 0 HG3 GLN A 96 43.257 -56.560 -71.242 1.00 34.13 H new ATOM 0 HE21 GLN A 96 45.705 -58.637 -70.421 1.00 64.30 H new ATOM 0 HE22 GLN A 96 46.633 -58.613 -71.924 1.00 64.30 H new ATOM 1438 N LEU A 97 42.764 -55.130 -67.568 1.00 45.24 N ATOM 1439 CA LEU A 97 42.023 -55.882 -66.562 1.00 55.51 C ATOM 1440 C LEU A 97 40.602 -55.344 -66.419 1.00 22.34 C ATOM 1441 O LEU A 97 39.634 -56.104 -66.460 1.00 52.20 O ATOM 1442 CB LEU A 97 42.743 -55.816 -65.214 1.00 62.54 C ATOM 1443 CG LEU A 97 44.135 -56.448 -65.166 1.00 72.12 C ATOM 1444 CD1 LEU A 97 44.998 -55.759 -64.120 1.00 73.43 C ATOM 1445 CD2 LEU A 97 44.034 -57.939 -64.879 1.00 61.25 C ATOM 0 H LEU A 97 43.509 -54.544 -67.192 1.00 45.24 H new ATOM 0 HA LEU A 97 41.969 -56.921 -66.887 1.00 55.51 H new ATOM 0 HB2 LEU A 97 42.831 -54.769 -64.922 1.00 62.54 H new ATOM 0 HB3 LEU A 97 42.118 -56.304 -64.466 1.00 62.54 H new ATOM 0 HG LEU A 97 44.607 -56.317 -66.140 1.00 72.12 H new ATOM 0 HD11 LEU A 97 45.985 -56.222 -64.100 1.00 73.43 H new ATOM 0 HD12 LEU A 97 45.098 -54.703 -64.369 1.00 73.43 H new ATOM 0 HD13 LEU A 97 44.531 -55.858 -63.140 1.00 73.43 H new ATOM 0 HD21 LEU A 97 45.034 -58.372 -64.848 1.00 61.25 H new ATOM 0 HD22 LEU A 97 43.543 -58.092 -63.918 1.00 61.25 H new ATOM 0 HD23 LEU A 97 43.453 -58.422 -65.665 1.00 61.25 H new ATOM 1457 N ILE A 98 40.486 -54.031 -66.252 1.00 72.21 N ATOM 1458 CA ILE A 98 39.184 -53.393 -66.106 1.00 53.41 C ATOM 1459 C ILE A 98 38.549 -53.121 -67.466 1.00 22.11 C ATOM 1460 O ILE A 98 37.332 -52.969 -67.576 1.00 22.35 O ATOM 1461 CB ILE A 98 39.291 -52.068 -65.328 1.00 54.33 C ATOM 1462 CG1 ILE A 98 40.194 -51.084 -66.075 1.00 31.01 C ATOM 1463 CG2 ILE A 98 39.819 -52.319 -63.924 1.00 32.11 C ATOM 1464 CD1 ILE A 98 40.525 -49.843 -65.277 1.00 3.42 C ATOM 0 H ILE A 98 41.278 -53.389 -66.214 1.00 72.21 H new ATOM 0 HA ILE A 98 38.555 -54.085 -65.546 1.00 53.41 H new ATOM 0 HB ILE A 98 38.296 -51.630 -65.248 1.00 54.33 H new ATOM 0 HG12 ILE A 98 41.121 -51.589 -66.348 1.00 31.01 H new ATOM 0 HG13 ILE A 98 39.706 -50.789 -67.004 1.00 31.01 H new ATOM 0 HG21 ILE A 98 39.889 -51.373 -63.387 1.00 32.11 H new ATOM 0 HG22 ILE A 98 39.141 -52.988 -63.394 1.00 32.11 H new ATOM 0 HG23 ILE A 98 40.807 -52.776 -63.983 1.00 32.11 H new ATOM 0 HD11 ILE A 98 41.168 -49.191 -65.868 1.00 3.42 H new ATOM 0 HD12 ILE A 98 39.605 -49.315 -65.027 1.00 3.42 H new ATOM 0 HD13 ILE A 98 41.041 -50.127 -64.360 1.00 3.42 H new ATOM 1476 N TYR A 99 39.381 -53.063 -68.500 1.00 2.13 N ATOM 1477 CA TYR A 99 38.902 -52.809 -69.853 1.00 71.22 C ATOM 1478 C TYR A 99 37.772 -51.784 -69.848 1.00 4.31 C ATOM 1479 O TYR A 99 36.665 -52.061 -70.306 1.00 52.33 O ATOM 1480 CB TYR A 99 38.422 -54.110 -70.499 1.00 33.12 C ATOM 1481 CG TYR A 99 37.508 -54.925 -69.612 1.00 23.34 C ATOM 1482 CD1 TYR A 99 38.025 -55.856 -68.718 1.00 53.20 C ATOM 1483 CD2 TYR A 99 36.129 -54.766 -69.667 1.00 63.02 C ATOM 1484 CE1 TYR A 99 37.194 -56.603 -67.906 1.00 22.52 C ATOM 1485 CE2 TYR A 99 35.291 -55.508 -68.858 1.00 23.22 C ATOM 1486 CZ TYR A 99 35.828 -56.426 -67.979 1.00 43.30 C ATOM 1487 OH TYR A 99 34.997 -57.168 -67.172 1.00 52.01 O ATOM 0 H TYR A 99 40.391 -53.189 -68.427 1.00 2.13 H new ATOM 0 HA TYR A 99 39.731 -52.406 -70.435 1.00 71.22 H new ATOM 0 HB2 TYR A 99 37.899 -53.874 -71.426 1.00 33.12 H new ATOM 0 HB3 TYR A 99 39.289 -54.714 -70.766 1.00 33.12 H new ATOM 0 HD1 TYR A 99 39.094 -55.997 -68.657 1.00 53.20 H new ATOM 0 HD2 TYR A 99 35.705 -54.049 -70.355 1.00 63.02 H new ATOM 0 HE1 TYR A 99 37.612 -57.322 -67.217 1.00 22.52 H new ATOM 0 HE2 TYR A 99 34.221 -55.370 -68.913 1.00 23.22 H new ATOM 0 HH TYR A 99 34.065 -56.921 -67.347 1.00 52.01 H new ATOM 1497 N GLY A 100 38.063 -50.596 -69.325 1.00 55.14 N ATOM 1498 CA GLY A 100 37.063 -49.546 -69.270 1.00 14.41 C ATOM 1499 C GLY A 100 37.208 -48.547 -70.401 1.00 14.33 C ATOM 1500 O GLY A 100 36.213 -48.055 -70.936 1.00 2.31 O ATOM 0 H GLY A 100 38.973 -50.343 -68.939 1.00 55.14 H new ATOM 0 HA2 GLY A 100 36.069 -49.992 -69.309 1.00 14.41 H new ATOM 0 HA3 GLY A 100 37.141 -49.024 -68.316 1.00 14.41 H new ATOM 1504 N LEU A 101 38.449 -48.244 -70.765 1.00 73.20 N ATOM 1505 CA LEU A 101 38.721 -47.295 -71.839 1.00 60.42 C ATOM 1506 C LEU A 101 37.922 -47.645 -73.091 1.00 22.55 C ATOM 1507 O LEU A 101 37.689 -48.819 -73.383 1.00 72.00 O ATOM 1508 CB LEU A 101 40.216 -47.277 -72.163 1.00 51.21 C ATOM 1509 CG LEU A 101 40.597 -46.746 -73.545 1.00 54.55 C ATOM 1510 CD1 LEU A 101 40.245 -45.271 -73.666 1.00 11.10 C ATOM 1511 CD2 LEU A 101 42.078 -46.966 -73.812 1.00 5.20 C ATOM 0 H LEU A 101 39.283 -48.642 -70.332 1.00 73.20 H new ATOM 0 HA LEU A 101 38.416 -46.305 -71.501 1.00 60.42 H new ATOM 0 HB2 LEU A 101 40.723 -46.672 -71.411 1.00 51.21 H new ATOM 0 HB3 LEU A 101 40.600 -48.293 -72.067 1.00 51.21 H new ATOM 0 HG LEU A 101 40.028 -47.297 -74.294 1.00 54.55 H new ATOM 0 HD11 LEU A 101 40.523 -44.911 -74.656 1.00 11.10 H new ATOM 0 HD12 LEU A 101 39.173 -45.140 -73.520 1.00 11.10 H new ATOM 0 HD13 LEU A 101 40.786 -44.704 -72.908 1.00 11.10 H new ATOM 0 HD21 LEU A 101 42.331 -46.582 -74.800 1.00 5.20 H new ATOM 0 HD22 LEU A 101 42.665 -46.442 -73.058 1.00 5.20 H new ATOM 0 HD23 LEU A 101 42.301 -48.032 -73.769 1.00 5.20 H new ATOM 1523 N LEU A 102 37.507 -46.621 -73.827 1.00 42.20 N ATOM 1524 CA LEU A 102 36.736 -46.820 -75.049 1.00 42.34 C ATOM 1525 C LEU A 102 35.358 -47.394 -74.737 1.00 0.45 C ATOM 1526 O LEU A 102 35.236 -48.387 -74.020 1.00 24.02 O ATOM 1527 CB LEU A 102 37.485 -47.753 -76.002 1.00 45.33 C ATOM 1528 CG LEU A 102 37.420 -47.390 -77.486 1.00 40.03 C ATOM 1529 CD1 LEU A 102 38.820 -47.228 -78.058 1.00 53.43 C ATOM 1530 CD2 LEU A 102 36.645 -48.447 -78.260 1.00 10.32 C ATOM 0 H LEU A 102 37.691 -45.644 -73.599 1.00 42.20 H new ATOM 0 HA LEU A 102 36.605 -45.850 -75.528 1.00 42.34 H new ATOM 0 HB2 LEU A 102 38.532 -47.782 -75.701 1.00 45.33 H new ATOM 0 HB3 LEU A 102 37.089 -48.761 -75.877 1.00 45.33 H new ATOM 0 HG LEU A 102 36.897 -46.439 -77.585 1.00 40.03 H new ATOM 0 HD11 LEU A 102 38.754 -46.970 -79.115 1.00 53.43 H new ATOM 0 HD12 LEU A 102 39.342 -46.435 -77.523 1.00 53.43 H new ATOM 0 HD13 LEU A 102 39.369 -48.163 -77.947 1.00 53.43 H new ATOM 0 HD21 LEU A 102 36.609 -48.172 -79.314 1.00 10.32 H new ATOM 0 HD22 LEU A 102 37.140 -49.412 -78.153 1.00 10.32 H new ATOM 0 HD23 LEU A 102 35.630 -48.514 -77.868 1.00 10.32 H new ATOM 1542 N SER A 103 34.322 -46.763 -75.281 1.00 4.44 N ATOM 1543 CA SER A 103 32.952 -47.209 -75.058 1.00 62.53 C ATOM 1544 C SER A 103 31.963 -46.317 -75.801 1.00 15.23 C ATOM 1545 O SER A 103 31.566 -46.614 -76.928 1.00 34.25 O ATOM 1546 CB SER A 103 32.631 -47.213 -73.563 1.00 12.14 C ATOM 1547 OG SER A 103 32.849 -48.494 -72.997 1.00 1.30 O ATOM 0 H SER A 103 34.406 -45.941 -75.879 1.00 4.44 H new ATOM 0 HA SER A 103 32.859 -48.224 -75.444 1.00 62.53 H new ATOM 0 HB2 SER A 103 33.252 -46.476 -73.053 1.00 12.14 H new ATOM 0 HB3 SER A 103 31.593 -46.916 -73.410 1.00 12.14 H new ATOM 0 HG SER A 103 33.808 -48.694 -73.000 1.00 1.30 H new ATOM 1553 N ASP A 104 31.568 -45.222 -75.161 1.00 3.53 N ATOM 1554 CA ASP A 104 30.626 -44.284 -75.759 1.00 54.43 C ATOM 1555 C ASP A 104 31.334 -43.351 -76.737 1.00 11.11 C ATOM 1556 O ASP A 104 30.702 -42.753 -77.607 1.00 33.00 O ATOM 1557 CB ASP A 104 29.926 -43.467 -74.672 1.00 12.21 C ATOM 1558 CG ASP A 104 28.570 -42.954 -75.115 1.00 73.33 C ATOM 1559 OD1 ASP A 104 27.800 -43.744 -75.700 1.00 34.31 O ATOM 1560 OD2 ASP A 104 28.279 -41.763 -74.878 1.00 52.04 O ATOM 0 H ASP A 104 31.886 -44.962 -74.227 1.00 3.53 H new ATOM 0 HA ASP A 104 29.880 -44.858 -76.308 1.00 54.43 H new ATOM 0 HB2 ASP A 104 29.805 -44.083 -73.781 1.00 12.21 H new ATOM 0 HB3 ASP A 104 30.557 -42.623 -74.393 1.00 12.21 H new ATOM 1565 N GLU A 105 32.649 -43.232 -76.586 1.00 3.42 N ATOM 1566 CA GLU A 105 33.442 -42.370 -77.455 1.00 2.23 C ATOM 1567 C GLU A 105 33.183 -42.692 -78.924 1.00 0.34 C ATOM 1568 O GLU A 105 33.270 -41.818 -79.787 1.00 33.11 O ATOM 1569 CB GLU A 105 34.932 -42.525 -77.142 1.00 70.23 C ATOM 1570 CG GLU A 105 35.649 -43.495 -78.066 1.00 25.44 C ATOM 1571 CD GLU A 105 36.996 -43.931 -77.521 1.00 71.52 C ATOM 1572 OE1 GLU A 105 37.219 -43.781 -76.302 1.00 31.04 O ATOM 1573 OE2 GLU A 105 37.826 -44.422 -78.314 1.00 23.50 O ATOM 0 H GLU A 105 33.188 -43.721 -75.871 1.00 3.42 H new ATOM 0 HA GLU A 105 33.145 -41.338 -77.270 1.00 2.23 H new ATOM 0 HB2 GLU A 105 35.413 -41.549 -77.210 1.00 70.23 H new ATOM 0 HB3 GLU A 105 35.045 -42.865 -76.113 1.00 70.23 H new ATOM 0 HG2 GLU A 105 35.023 -44.373 -78.222 1.00 25.44 H new ATOM 0 HG3 GLU A 105 35.789 -43.027 -79.040 1.00 25.44 H new ATOM 1580 N PHE A 106 32.865 -43.952 -79.200 1.00 22.22 N ATOM 1581 CA PHE A 106 32.595 -44.391 -80.564 1.00 32.11 C ATOM 1582 C PHE A 106 31.278 -43.811 -81.071 1.00 50.52 C ATOM 1583 O PHE A 106 31.174 -43.392 -82.224 1.00 54.03 O ATOM 1584 CB PHE A 106 32.551 -45.919 -80.631 1.00 61.13 C ATOM 1585 CG PHE A 106 33.697 -46.518 -81.395 1.00 24.54 C ATOM 1586 CD1 PHE A 106 34.993 -46.421 -80.914 1.00 43.12 C ATOM 1587 CD2 PHE A 106 33.479 -47.179 -82.593 1.00 21.11 C ATOM 1588 CE1 PHE A 106 36.051 -46.972 -81.614 1.00 15.31 C ATOM 1589 CE2 PHE A 106 34.532 -47.732 -83.297 1.00 21.14 C ATOM 1590 CZ PHE A 106 35.820 -47.627 -82.807 1.00 75.33 C ATOM 0 H PHE A 106 32.788 -44.687 -78.497 1.00 22.22 H new ATOM 0 HA PHE A 106 33.401 -44.029 -81.202 1.00 32.11 H new ATOM 0 HB2 PHE A 106 32.552 -46.319 -79.617 1.00 61.13 H new ATOM 0 HB3 PHE A 106 31.614 -46.228 -81.095 1.00 61.13 H new ATOM 0 HD1 PHE A 106 35.179 -45.909 -79.981 1.00 43.12 H new ATOM 0 HD2 PHE A 106 32.475 -47.263 -82.981 1.00 21.11 H new ATOM 0 HE1 PHE A 106 37.056 -46.890 -81.228 1.00 15.31 H new ATOM 0 HE2 PHE A 106 34.349 -48.246 -84.229 1.00 21.14 H new ATOM 0 HZ PHE A 106 36.644 -48.057 -83.357 1.00 75.33 H new ATOM 1600 N LYS A 107 30.274 -43.789 -80.201 1.00 72.13 N ATOM 1601 CA LYS A 107 28.963 -43.260 -80.558 1.00 51.13 C ATOM 1602 C LYS A 107 29.053 -41.781 -80.919 1.00 42.35 C ATOM 1603 O LYS A 107 28.196 -41.252 -81.627 1.00 4.52 O ATOM 1604 CB LYS A 107 27.979 -43.454 -79.402 1.00 25.31 C ATOM 1605 CG LYS A 107 26.785 -42.518 -79.455 1.00 52.15 C ATOM 1606 CD LYS A 107 25.654 -43.005 -78.564 1.00 44.44 C ATOM 1607 CE LYS A 107 24.298 -42.788 -79.217 1.00 14.43 C ATOM 1608 NZ LYS A 107 24.003 -41.342 -79.417 1.00 3.42 N ATOM 0 H LYS A 107 30.343 -44.132 -79.243 1.00 72.13 H new ATOM 0 HA LYS A 107 28.603 -43.808 -81.429 1.00 51.13 H new ATOM 0 HB2 LYS A 107 27.623 -44.484 -79.408 1.00 25.31 H new ATOM 0 HB3 LYS A 107 28.505 -43.305 -78.459 1.00 25.31 H new ATOM 0 HG2 LYS A 107 27.091 -41.519 -79.143 1.00 52.15 H new ATOM 0 HG3 LYS A 107 26.431 -42.437 -80.483 1.00 52.15 H new ATOM 0 HD2 LYS A 107 25.790 -44.065 -78.348 1.00 44.44 H new ATOM 0 HD3 LYS A 107 25.688 -42.479 -77.610 1.00 44.44 H new ATOM 0 HE2 LYS A 107 24.272 -43.300 -80.179 1.00 14.43 H new ATOM 0 HE3 LYS A 107 23.521 -43.235 -78.597 1.00 14.43 H new ATOM 0 HZ1 LYS A 107 23.049 -41.234 -79.817 1.00 3.42 H new ATOM 0 HZ2 LYS A 107 24.053 -40.848 -78.503 1.00 3.42 H new ATOM 0 HZ3 LYS A 107 24.701 -40.932 -80.070 1.00 3.42 H new ATOM 1622 N ALA A 108 30.097 -41.119 -80.430 1.00 70.42 N ATOM 1623 CA ALA A 108 30.301 -39.702 -80.705 1.00 35.43 C ATOM 1624 C ALA A 108 31.235 -39.502 -81.893 1.00 25.14 C ATOM 1625 O ALA A 108 30.985 -38.665 -82.758 1.00 53.41 O ATOM 1626 CB ALA A 108 30.852 -39.000 -79.473 1.00 15.04 C ATOM 0 H ALA A 108 30.815 -41.542 -79.841 1.00 70.42 H new ATOM 0 HA ALA A 108 29.336 -39.263 -80.958 1.00 35.43 H new ATOM 0 HB1 ALA A 108 31.000 -37.943 -79.692 1.00 15.04 H new ATOM 0 HB2 ALA A 108 30.147 -39.105 -78.649 1.00 15.04 H new ATOM 0 HB3 ALA A 108 31.805 -39.449 -79.194 1.00 15.04 H new ATOM 1632 N GLY A 109 32.316 -40.277 -81.927 1.00 53.31 N ATOM 1633 CA GLY A 109 33.272 -40.168 -83.013 1.00 42.20 C ATOM 1634 C GLY A 109 34.540 -39.447 -82.599 1.00 32.21 C ATOM 1635 O GLY A 109 35.289 -38.956 -83.445 1.00 35.20 O ATOM 0 H GLY A 109 32.546 -40.978 -81.222 1.00 53.31 H new ATOM 0 HA2 GLY A 109 33.525 -41.166 -83.371 1.00 42.20 H new ATOM 0 HA3 GLY A 109 32.812 -39.637 -83.846 1.00 42.20 H new ATOM 1639 N LEU A 110 34.782 -39.381 -81.294 1.00 74.24 N ATOM 1640 CA LEU A 110 35.967 -38.713 -80.769 1.00 23.22 C ATOM 1641 C LEU A 110 36.915 -39.717 -80.119 1.00 52.24 C ATOM 1642 O LEU A 110 36.482 -40.624 -79.408 1.00 4.15 O ATOM 1643 CB LEU A 110 35.565 -37.643 -79.753 1.00 4.32 C ATOM 1644 CG LEU A 110 34.571 -36.590 -80.245 1.00 5.15 C ATOM 1645 CD1 LEU A 110 34.889 -36.183 -81.675 1.00 4.41 C ATOM 1646 CD2 LEU A 110 33.146 -37.113 -80.141 1.00 41.32 C ATOM 0 H LEU A 110 34.173 -39.782 -80.581 1.00 74.24 H new ATOM 0 HA LEU A 110 36.485 -38.238 -81.602 1.00 23.22 H new ATOM 0 HB2 LEU A 110 35.136 -38.140 -78.883 1.00 4.32 H new ATOM 0 HB3 LEU A 110 36.467 -37.133 -79.416 1.00 4.32 H new ATOM 0 HG LEU A 110 34.660 -35.708 -79.610 1.00 5.15 H new ATOM 0 HD11 LEU A 110 34.171 -35.433 -82.008 1.00 4.41 H new ATOM 0 HD12 LEU A 110 35.896 -35.767 -81.720 1.00 4.41 H new ATOM 0 HD13 LEU A 110 34.828 -37.057 -82.324 1.00 4.41 H new ATOM 0 HD21 LEU A 110 32.452 -36.351 -80.495 1.00 41.32 H new ATOM 0 HD22 LEU A 110 33.042 -38.010 -80.751 1.00 41.32 H new ATOM 0 HD23 LEU A 110 32.922 -37.353 -79.102 1.00 41.32 H new ATOM 1658 N HIS A 111 38.210 -39.547 -80.368 1.00 15.11 N ATOM 1659 CA HIS A 111 39.219 -40.436 -79.805 1.00 22.41 C ATOM 1660 C HIS A 111 39.200 -40.383 -78.280 1.00 64.52 C ATOM 1661 O HIS A 111 38.267 -39.853 -77.679 1.00 75.25 O ATOM 1662 CB HIS A 111 40.607 -40.059 -80.323 1.00 24.31 C ATOM 1663 CG HIS A 111 41.439 -41.239 -80.722 1.00 73.42 C ATOM 1664 ND1 HIS A 111 41.058 -42.131 -81.703 1.00 41.32 N ATOM 1665 CD2 HIS A 111 42.638 -41.672 -80.268 1.00 42.30 C ATOM 1666 CE1 HIS A 111 41.987 -43.061 -81.834 1.00 33.12 C ATOM 1667 NE2 HIS A 111 42.957 -42.805 -80.975 1.00 33.34 N ATOM 0 H HIS A 111 38.585 -38.802 -80.956 1.00 15.11 H new ATOM 0 HA HIS A 111 38.987 -41.454 -80.118 1.00 22.41 H new ATOM 0 HB2 HIS A 111 40.498 -39.395 -81.181 1.00 24.31 H new ATOM 0 HB3 HIS A 111 41.134 -39.498 -79.551 1.00 24.31 H new ATOM 0 HD2 HIS A 111 43.233 -41.212 -79.493 1.00 42.30 H new ATOM 0 HE1 HIS A 111 41.958 -43.890 -82.526 1.00 33.12 H new ATOM 0 HE2 HIS A 111 43.805 -43.359 -80.856 1.00 33.34 H new ATOM 1675 N ALA A 112 40.238 -40.937 -77.661 1.00 33.41 N ATOM 1676 CA ALA A 112 40.341 -40.952 -76.207 1.00 54.00 C ATOM 1677 C ALA A 112 41.774 -41.222 -75.761 1.00 35.42 C ATOM 1678 O ALA A 112 42.594 -41.713 -76.537 1.00 44.02 O ATOM 1679 CB ALA A 112 39.398 -41.993 -75.622 1.00 21.13 C ATOM 0 H ALA A 112 41.019 -41.381 -78.144 1.00 33.41 H new ATOM 0 HA ALA A 112 40.053 -39.968 -75.836 1.00 54.00 H new ATOM 0 HB1 ALA A 112 39.485 -41.993 -74.536 1.00 21.13 H new ATOM 0 HB2 ALA A 112 38.372 -41.754 -75.904 1.00 21.13 H new ATOM 0 HB3 ALA A 112 39.660 -42.978 -76.007 1.00 21.13 H new ATOM 1685 N LEU A 113 42.068 -40.899 -74.507 1.00 24.14 N ATOM 1686 CA LEU A 113 43.404 -41.107 -73.957 1.00 14.43 C ATOM 1687 C LEU A 113 43.354 -42.022 -72.737 1.00 42.43 C ATOM 1688 O LEU A 113 42.482 -41.883 -71.880 1.00 71.53 O ATOM 1689 CB LEU A 113 44.034 -39.766 -73.577 1.00 44.22 C ATOM 1690 CG LEU A 113 43.084 -38.716 -73.000 1.00 71.20 C ATOM 1691 CD1 LEU A 113 43.656 -38.123 -71.722 1.00 30.43 C ATOM 1692 CD2 LEU A 113 42.813 -37.622 -74.023 1.00 33.54 C ATOM 0 H LEU A 113 41.401 -40.492 -73.852 1.00 24.14 H new ATOM 0 HA LEU A 113 44.015 -41.585 -74.722 1.00 14.43 H new ATOM 0 HB2 LEU A 113 44.823 -39.952 -72.849 1.00 44.22 H new ATOM 0 HB3 LEU A 113 44.511 -39.347 -74.463 1.00 44.22 H new ATOM 0 HG LEU A 113 42.139 -39.203 -72.759 1.00 71.20 H new ATOM 0 HD11 LEU A 113 42.966 -37.378 -71.326 1.00 30.43 H new ATOM 0 HD12 LEU A 113 43.798 -38.914 -70.985 1.00 30.43 H new ATOM 0 HD13 LEU A 113 44.615 -37.652 -71.937 1.00 30.43 H new ATOM 0 HD21 LEU A 113 42.135 -36.884 -73.595 1.00 33.54 H new ATOM 0 HD22 LEU A 113 43.751 -37.138 -74.296 1.00 33.54 H new ATOM 0 HD23 LEU A 113 42.359 -38.060 -74.912 1.00 33.54 H new ATOM 1704 N ALA A 114 44.298 -42.955 -72.665 1.00 53.25 N ATOM 1705 CA ALA A 114 44.364 -43.890 -71.549 1.00 42.50 C ATOM 1706 C ALA A 114 45.698 -43.777 -70.818 1.00 32.51 C ATOM 1707 O ALA A 114 46.760 -43.811 -71.438 1.00 5.35 O ATOM 1708 CB ALA A 114 44.147 -45.313 -72.039 1.00 71.42 C ATOM 0 H ALA A 114 45.027 -43.083 -73.366 1.00 53.25 H new ATOM 0 HA ALA A 114 43.571 -43.636 -70.846 1.00 42.50 H new ATOM 0 HB1 ALA A 114 44.199 -46.000 -71.195 1.00 71.42 H new ATOM 0 HB2 ALA A 114 43.167 -45.390 -72.510 1.00 71.42 H new ATOM 0 HB3 ALA A 114 44.919 -45.570 -72.764 1.00 71.42 H new ATOM 1714 N MET A 115 45.634 -43.644 -69.497 1.00 52.02 N ATOM 1715 CA MET A 115 46.838 -43.527 -68.682 1.00 75.42 C ATOM 1716 C MET A 115 46.666 -44.254 -67.352 1.00 14.43 C ATOM 1717 O MET A 115 45.779 -43.925 -66.563 1.00 11.12 O ATOM 1718 CB MET A 115 47.170 -42.055 -68.434 1.00 23.04 C ATOM 1719 CG MET A 115 45.959 -41.211 -68.072 1.00 40.21 C ATOM 1720 SD MET A 115 45.312 -40.287 -69.478 1.00 52.54 S ATOM 1721 CE MET A 115 46.525 -38.975 -69.609 1.00 14.14 C ATOM 0 H MET A 115 44.762 -43.615 -68.969 1.00 52.02 H new ATOM 0 HA MET A 115 47.662 -43.991 -69.225 1.00 75.42 H new ATOM 0 HB2 MET A 115 47.903 -41.987 -67.630 1.00 23.04 H new ATOM 0 HB3 MET A 115 47.637 -41.641 -69.328 1.00 23.04 H new ATOM 0 HG2 MET A 115 45.176 -41.857 -67.675 1.00 40.21 H new ATOM 0 HG3 MET A 115 46.230 -40.515 -67.278 1.00 40.21 H new ATOM 0 HE1 MET A 115 46.047 -38.074 -69.994 1.00 14.14 H new ATOM 0 HE2 MET A 115 46.947 -38.770 -68.625 1.00 14.14 H new ATOM 0 HE3 MET A 115 47.321 -39.282 -70.288 1.00 14.14 H new ATOM 1731 N THR A 116 47.519 -45.243 -67.108 1.00 61.40 N ATOM 1732 CA THR A 116 47.460 -46.017 -65.874 1.00 44.22 C ATOM 1733 C THR A 116 48.811 -46.029 -65.168 1.00 64.13 C ATOM 1734 O THR A 116 49.819 -46.449 -65.739 1.00 52.52 O ATOM 1735 CB THR A 116 47.020 -47.469 -66.141 1.00 44.55 C ATOM 1736 OG1 THR A 116 48.115 -48.363 -65.911 1.00 51.50 O ATOM 1737 CG2 THR A 116 46.520 -47.628 -67.569 1.00 65.33 C ATOM 0 H THR A 116 48.260 -45.527 -67.749 1.00 61.40 H new ATOM 0 HA THR A 116 46.722 -45.534 -65.233 1.00 44.22 H new ATOM 0 HB THR A 116 46.205 -47.710 -65.458 1.00 44.55 H new ATOM 0 HG1 THR A 116 48.111 -48.651 -64.974 1.00 51.50 H new ATOM 0 HG21 THR A 116 46.215 -48.661 -67.735 1.00 65.33 H new ATOM 0 HG22 THR A 116 45.668 -46.967 -67.732 1.00 65.33 H new ATOM 0 HG23 THR A 116 47.318 -47.369 -68.265 1.00 65.33 H new ATOM 1745 N THR A 117 48.827 -45.567 -63.922 1.00 20.03 N ATOM 1746 CA THR A 117 50.055 -45.525 -63.138 1.00 12.43 C ATOM 1747 C THR A 117 49.917 -46.337 -61.855 1.00 54.02 C ATOM 1748 O THR A 117 49.198 -45.947 -60.935 1.00 12.31 O ATOM 1749 CB THR A 117 50.441 -44.078 -62.776 1.00 52.23 C ATOM 1750 OG1 THR A 117 51.445 -44.079 -61.755 1.00 71.14 O ATOM 1751 CG2 THR A 117 49.226 -43.297 -62.299 1.00 11.31 C ATOM 0 H THR A 117 48.003 -45.216 -63.434 1.00 20.03 H new ATOM 0 HA THR A 117 50.840 -45.959 -63.757 1.00 12.43 H new ATOM 0 HB THR A 117 50.835 -43.596 -63.671 1.00 52.23 H new ATOM 0 HG1 THR A 117 51.686 -43.156 -61.532 1.00 71.14 H new ATOM 0 HG21 THR A 117 49.523 -42.278 -62.049 1.00 11.31 H new ATOM 0 HG22 THR A 117 48.476 -43.273 -63.089 1.00 11.31 H new ATOM 0 HG23 THR A 117 48.807 -43.780 -61.416 1.00 11.31 H new ATOM 1759 N LYS A 118 50.610 -47.469 -61.800 1.00 31.10 N ATOM 1760 CA LYS A 118 50.567 -48.337 -60.629 1.00 52.11 C ATOM 1761 C LYS A 118 51.959 -48.856 -60.285 1.00 61.00 C ATOM 1762 O LYS A 118 52.762 -49.147 -61.172 1.00 41.44 O ATOM 1763 CB LYS A 118 49.619 -49.513 -60.875 1.00 12.20 C ATOM 1764 CG LYS A 118 49.535 -50.481 -59.707 1.00 53.34 C ATOM 1765 CD LYS A 118 50.151 -51.826 -60.053 1.00 32.01 C ATOM 1766 CE LYS A 118 49.083 -52.881 -60.301 1.00 3.31 C ATOM 1767 NZ LYS A 118 49.487 -54.213 -59.773 1.00 32.35 N ATOM 0 H LYS A 118 51.209 -47.807 -62.553 1.00 31.10 H new ATOM 0 HA LYS A 118 50.199 -47.751 -59.787 1.00 52.11 H new ATOM 0 HB2 LYS A 118 48.622 -49.127 -61.088 1.00 12.20 H new ATOM 0 HB3 LYS A 118 49.948 -50.055 -61.762 1.00 12.20 H new ATOM 0 HG2 LYS A 118 50.047 -50.056 -58.844 1.00 53.34 H new ATOM 0 HG3 LYS A 118 48.492 -50.620 -59.422 1.00 53.34 H new ATOM 0 HD2 LYS A 118 50.776 -51.724 -60.940 1.00 32.01 H new ATOM 0 HD3 LYS A 118 50.802 -52.149 -59.240 1.00 32.01 H new ATOM 0 HE2 LYS A 118 48.150 -52.571 -59.830 1.00 3.31 H new ATOM 0 HE3 LYS A 118 48.890 -52.958 -61.371 1.00 3.31 H new ATOM 0 HZ1 LYS A 118 48.838 -54.941 -60.134 1.00 32.35 H new ATOM 0 HZ2 LYS A 118 50.456 -54.429 -60.082 1.00 32.35 H new ATOM 0 HZ3 LYS A 118 49.450 -54.200 -58.734 1.00 32.35 H new ATOM 1781 N THR A 119 52.240 -48.972 -58.991 1.00 35.14 N ATOM 1782 CA THR A 119 53.534 -49.457 -58.530 1.00 4.45 C ATOM 1783 C THR A 119 53.865 -50.811 -59.145 1.00 24.42 C ATOM 1784 O THR A 119 52.988 -51.541 -59.608 1.00 44.33 O ATOM 1785 CB THR A 119 53.574 -49.579 -56.995 1.00 23.14 C ATOM 1786 OG1 THR A 119 52.281 -49.943 -56.498 1.00 43.04 O ATOM 1787 CG2 THR A 119 54.017 -48.270 -56.359 1.00 22.15 C ATOM 0 H THR A 119 51.588 -48.736 -58.243 1.00 35.14 H new ATOM 0 HA THR A 119 54.277 -48.726 -58.848 1.00 4.45 H new ATOM 0 HB THR A 119 54.295 -50.354 -56.733 1.00 23.14 H new ATOM 0 HG1 THR A 119 52.316 -50.020 -55.522 1.00 43.04 H new ATOM 0 HG21 THR A 119 54.037 -48.381 -55.275 1.00 22.15 H new ATOM 0 HG22 THR A 119 55.014 -48.011 -56.716 1.00 22.15 H new ATOM 0 HG23 THR A 119 53.318 -47.479 -56.630 1.00 22.15 H new