USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=18 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 53 ASN : amide:sc= -2.4 K(o=-7.7,f=-10) USER MOD Set 1.2: A 55 SER OG : rot 57:sc= 0.464 USER MOD Set 1.3: A 76 HIS : no HE2:sc= -5.71 K(o=-7.7,f=-8.6!) USER MOD Set 2.1: A 47 THR OG1 : rot -107:sc= 0.0201 USER MOD Set 2.2: A 83 SER OG : rot -63:sc= 0.934 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -90:sc= 0.444 USER MOD Single : A 39 LYS NZ :NH3+ 170:sc= 0.57 (180deg=0.196) USER MOD Single : A 45 SER OG : rot 180:sc= -0.643 USER MOD Single : A 48 HIS : no HD1:sc=-0.00561 X(o=-0.0056,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 THR OG1 : rot 120:sc= -0.167 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 16:sc= 1.15 USER MOD Single : A 93 LYS NZ :NH3+ 138:sc= -0.142 (180deg=-0.736) USER MOD Single : A 95 HIS : no HE2:sc= -7.24 K(o=-7.2,f=-9.9!) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot -94:sc= 1.8 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=-0.0085) USER MOD Single : A 115 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot -87:sc= -0.741 USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.529 USER MOD Single : A 118 LYS NZ :NH3+ -152:sc= -0.14 (180deg=-0.755) USER MOD Single : A 119 THR OG1 : rot -91:sc= 0.0791 USER MOD ----------------------------------------------------------------- ATOM 471 N ALA A 33 30.304 -48.481 -72.451 1.00 52.34 N ATOM 472 CA ALA A 33 29.781 -49.146 -73.638 1.00 41.24 C ATOM 473 C ALA A 33 30.693 -48.922 -74.840 1.00 1.52 C ATOM 474 O ALA A 33 31.223 -49.871 -75.415 1.00 72.13 O ATOM 475 CB ALA A 33 28.374 -48.654 -73.943 1.00 12.15 C ATOM 0 HA ALA A 33 29.744 -50.217 -73.437 1.00 41.24 H new ATOM 0 HB1 ALA A 33 27.997 -49.159 -74.832 1.00 12.15 H new ATOM 0 HB2 ALA A 33 27.721 -48.871 -73.097 1.00 12.15 H new ATOM 0 HB3 ALA A 33 28.395 -47.578 -74.118 1.00 12.15 H new ATOM 481 N GLY A 34 30.872 -47.658 -75.214 1.00 75.11 N ATOM 482 CA GLY A 34 31.719 -47.332 -76.346 1.00 24.41 C ATOM 483 C GLY A 34 33.185 -47.602 -76.069 1.00 1.01 C ATOM 484 O GLY A 34 33.903 -48.109 -76.930 1.00 45.51 O ATOM 0 H GLY A 34 30.445 -46.855 -74.753 1.00 75.11 H new ATOM 0 HA2 GLY A 34 31.403 -47.914 -77.212 1.00 24.41 H new ATOM 0 HA3 GLY A 34 31.588 -46.281 -76.603 1.00 24.41 H new ATOM 488 N ALA A 35 33.630 -47.261 -74.864 1.00 24.20 N ATOM 489 CA ALA A 35 35.020 -47.470 -74.476 1.00 12.11 C ATOM 490 C ALA A 35 35.364 -48.955 -74.443 1.00 74.14 C ATOM 491 O ALA A 35 36.427 -49.366 -74.910 1.00 13.14 O ATOM 492 CB ALA A 35 35.290 -46.834 -73.120 1.00 44.35 C ATOM 0 H ALA A 35 33.049 -46.839 -74.140 1.00 24.20 H new ATOM 0 HA ALA A 35 35.655 -46.993 -75.223 1.00 12.11 H new ATOM 0 HB1 ALA A 35 36.331 -46.997 -72.842 1.00 44.35 H new ATOM 0 HB2 ALA A 35 35.093 -45.763 -73.175 1.00 44.35 H new ATOM 0 HB3 ALA A 35 34.640 -47.285 -72.371 1.00 44.35 H new ATOM 498 N ILE A 36 34.459 -49.755 -73.890 1.00 34.21 N ATOM 499 CA ILE A 36 34.667 -51.195 -73.798 1.00 0.25 C ATOM 500 C ILE A 36 35.011 -51.789 -75.159 1.00 72.11 C ATOM 501 O ILE A 36 35.686 -52.814 -75.249 1.00 63.51 O ATOM 502 CB ILE A 36 33.423 -51.909 -73.238 1.00 33.03 C ATOM 503 CG1 ILE A 36 32.410 -52.167 -74.355 1.00 51.02 C ATOM 504 CG2 ILE A 36 32.794 -51.083 -72.125 1.00 74.35 C ATOM 505 CD1 ILE A 36 32.489 -53.563 -74.932 1.00 21.10 C ATOM 0 H ILE A 36 33.575 -49.431 -73.499 1.00 34.21 H new ATOM 0 HA ILE A 36 35.503 -51.350 -73.115 1.00 0.25 H new ATOM 0 HB ILE A 36 33.730 -52.869 -72.823 1.00 33.03 H new ATOM 0 HG12 ILE A 36 31.405 -51.999 -73.969 1.00 51.02 H new ATOM 0 HG13 ILE A 36 32.570 -51.443 -75.154 1.00 51.02 H new ATOM 0 HG21 ILE A 36 31.916 -51.601 -71.739 1.00 74.35 H new ATOM 0 HG22 ILE A 36 33.517 -50.946 -71.321 1.00 74.35 H new ATOM 0 HG23 ILE A 36 32.498 -50.110 -72.517 1.00 74.35 H new ATOM 0 HD11 ILE A 36 31.742 -53.674 -75.718 1.00 21.10 H new ATOM 0 HD12 ILE A 36 33.482 -53.729 -75.349 1.00 21.10 H new ATOM 0 HD13 ILE A 36 32.299 -54.293 -74.145 1.00 21.10 H new ATOM 517 N LYS A 37 34.543 -51.137 -76.218 1.00 71.22 N ATOM 518 CA LYS A 37 34.803 -51.598 -77.577 1.00 14.20 C ATOM 519 C LYS A 37 36.296 -51.569 -77.885 1.00 62.02 C ATOM 520 O LYS A 37 36.837 -52.506 -78.472 1.00 74.33 O ATOM 521 CB LYS A 37 34.046 -50.730 -78.585 1.00 42.31 C ATOM 522 CG LYS A 37 32.549 -50.670 -78.334 1.00 63.53 C ATOM 523 CD LYS A 37 31.774 -51.408 -79.413 1.00 54.41 C ATOM 524 CE LYS A 37 31.890 -52.915 -79.252 1.00 21.54 C ATOM 525 NZ LYS A 37 32.580 -53.546 -80.411 1.00 51.20 N ATOM 0 H LYS A 37 33.981 -50.287 -76.161 1.00 71.22 H new ATOM 0 HA LYS A 37 34.454 -52.627 -77.658 1.00 14.20 H new ATOM 0 HB2 LYS A 37 34.451 -49.719 -78.557 1.00 42.31 H new ATOM 0 HB3 LYS A 37 34.222 -51.116 -79.589 1.00 42.31 H new ATOM 0 HG2 LYS A 37 32.324 -51.106 -77.361 1.00 63.53 H new ATOM 0 HG3 LYS A 37 32.226 -49.630 -78.300 1.00 63.53 H new ATOM 0 HD2 LYS A 37 30.724 -51.117 -79.372 1.00 54.41 H new ATOM 0 HD3 LYS A 37 32.148 -51.116 -80.395 1.00 54.41 H new ATOM 0 HE2 LYS A 37 32.437 -53.141 -78.337 1.00 21.54 H new ATOM 0 HE3 LYS A 37 30.895 -53.346 -79.143 1.00 21.54 H new ATOM 0 HZ1 LYS A 37 32.639 -54.574 -80.263 1.00 51.20 H new ATOM 0 HZ2 LYS A 37 32.045 -53.352 -81.281 1.00 51.20 H new ATOM 0 HZ3 LYS A 37 33.539 -53.154 -80.500 1.00 51.20 H new ATOM 539 N SER A 38 36.958 -50.488 -77.484 1.00 71.22 N ATOM 540 CA SER A 38 38.389 -50.337 -77.720 1.00 11.21 C ATOM 541 C SER A 38 39.183 -51.362 -76.917 1.00 22.33 C ATOM 542 O SER A 38 40.154 -51.938 -77.409 1.00 75.33 O ATOM 543 CB SER A 38 38.841 -48.922 -77.352 1.00 21.55 C ATOM 544 OG SER A 38 38.404 -47.980 -78.316 1.00 24.15 O ATOM 0 H SER A 38 36.526 -49.704 -76.994 1.00 71.22 H new ATOM 0 HA SER A 38 38.578 -50.507 -78.780 1.00 11.21 H new ATOM 0 HB2 SER A 38 38.446 -48.654 -76.372 1.00 21.55 H new ATOM 0 HB3 SER A 38 39.928 -48.892 -77.277 1.00 21.55 H new ATOM 0 HG SER A 38 39.088 -47.882 -79.011 1.00 24.15 H new ATOM 550 N LYS A 39 38.764 -51.586 -75.676 1.00 2.43 N ATOM 551 CA LYS A 39 39.434 -52.542 -74.802 1.00 54.10 C ATOM 552 C LYS A 39 39.374 -53.949 -75.388 1.00 55.10 C ATOM 553 O LYS A 39 40.363 -54.681 -75.373 1.00 31.31 O ATOM 554 CB LYS A 39 38.793 -52.529 -73.412 1.00 63.11 C ATOM 555 CG LYS A 39 38.332 -51.152 -72.968 1.00 2.15 C ATOM 556 CD LYS A 39 38.012 -51.123 -71.482 1.00 63.43 C ATOM 557 CE LYS A 39 36.946 -52.147 -71.122 1.00 45.10 C ATOM 558 NZ LYS A 39 37.470 -53.192 -70.199 1.00 42.40 N ATOM 0 H LYS A 39 37.963 -51.118 -75.253 1.00 2.43 H new ATOM 0 HA LYS A 39 40.480 -52.247 -74.716 1.00 54.10 H new ATOM 0 HB2 LYS A 39 37.940 -53.207 -73.408 1.00 63.11 H new ATOM 0 HB3 LYS A 39 39.510 -52.914 -72.687 1.00 63.11 H new ATOM 0 HG2 LYS A 39 39.108 -50.419 -73.188 1.00 2.15 H new ATOM 0 HG3 LYS A 39 37.449 -50.862 -73.537 1.00 2.15 H new ATOM 0 HD2 LYS A 39 38.918 -51.322 -70.910 1.00 63.43 H new ATOM 0 HD3 LYS A 39 37.671 -50.127 -71.201 1.00 63.43 H new ATOM 0 HE2 LYS A 39 36.100 -51.642 -70.656 1.00 45.10 H new ATOM 0 HE3 LYS A 39 36.574 -52.619 -72.031 1.00 45.10 H new ATOM 0 HZ1 LYS A 39 36.681 -53.769 -69.844 1.00 42.40 H new ATOM 0 HZ2 LYS A 39 38.142 -53.800 -70.709 1.00 42.40 H new ATOM 0 HZ3 LYS A 39 37.954 -52.737 -69.398 1.00 42.40 H new ATOM 572 N VAL A 40 38.207 -54.320 -75.905 1.00 73.43 N ATOM 573 CA VAL A 40 38.019 -55.639 -76.499 1.00 14.31 C ATOM 574 C VAL A 40 39.014 -55.880 -77.628 1.00 53.25 C ATOM 575 O VAL A 40 39.549 -56.978 -77.772 1.00 63.24 O ATOM 576 CB VAL A 40 36.588 -55.810 -77.044 1.00 44.23 C ATOM 577 CG1 VAL A 40 36.478 -57.087 -77.862 1.00 71.43 C ATOM 578 CG2 VAL A 40 35.580 -55.808 -75.905 1.00 4.41 C ATOM 0 H VAL A 40 37.378 -53.726 -75.925 1.00 73.43 H new ATOM 0 HA VAL A 40 38.188 -56.370 -75.708 1.00 14.31 H new ATOM 0 HB VAL A 40 36.364 -54.967 -77.698 1.00 44.23 H new ATOM 0 HG11 VAL A 40 35.461 -57.191 -78.239 1.00 71.43 H new ATOM 0 HG12 VAL A 40 37.173 -57.043 -78.701 1.00 71.43 H new ATOM 0 HG13 VAL A 40 36.722 -57.944 -77.234 1.00 71.43 H new ATOM 0 HG21 VAL A 40 34.575 -55.930 -76.309 1.00 4.41 H new ATOM 0 HG22 VAL A 40 35.799 -56.630 -75.223 1.00 4.41 H new ATOM 0 HG23 VAL A 40 35.642 -54.863 -75.366 1.00 4.41 H new ATOM 588 N GLU A 41 39.256 -54.845 -78.427 1.00 64.11 N ATOM 589 CA GLU A 41 40.188 -54.945 -79.545 1.00 34.43 C ATOM 590 C GLU A 41 41.574 -55.363 -79.062 1.00 12.30 C ATOM 591 O GLU A 41 42.352 -55.953 -79.811 1.00 33.12 O ATOM 592 CB GLU A 41 40.274 -53.610 -80.287 1.00 24.05 C ATOM 593 CG GLU A 41 41.461 -52.758 -79.869 1.00 41.11 C ATOM 594 CD GLU A 41 42.727 -53.110 -80.625 1.00 63.34 C ATOM 595 OE1 GLU A 41 42.785 -52.839 -81.843 1.00 41.21 O ATOM 596 OE2 GLU A 41 43.660 -53.657 -80.000 1.00 75.54 O ATOM 0 H GLU A 41 38.820 -53.929 -78.321 1.00 64.11 H new ATOM 0 HA GLU A 41 39.816 -55.708 -80.229 1.00 34.43 H new ATOM 0 HB2 GLU A 41 40.335 -53.802 -81.358 1.00 24.05 H new ATOM 0 HB3 GLU A 41 39.356 -53.048 -80.115 1.00 24.05 H new ATOM 0 HG2 GLU A 41 41.225 -51.707 -80.033 1.00 41.11 H new ATOM 0 HG3 GLU A 41 41.634 -52.882 -78.800 1.00 41.11 H new ATOM 603 N ALA A 42 41.875 -55.050 -77.806 1.00 23.52 N ATOM 604 CA ALA A 42 43.166 -55.394 -77.222 1.00 40.41 C ATOM 605 C ALA A 42 43.129 -56.778 -76.583 1.00 41.23 C ATOM 606 O ALA A 42 44.166 -57.413 -76.396 1.00 2.04 O ATOM 607 CB ALA A 42 43.576 -54.348 -76.196 1.00 42.42 C ATOM 0 H ALA A 42 41.243 -54.559 -77.174 1.00 23.52 H new ATOM 0 HA ALA A 42 43.906 -55.412 -78.022 1.00 40.41 H new ATOM 0 HB1 ALA A 42 44.542 -54.617 -75.768 1.00 42.42 H new ATOM 0 HB2 ALA A 42 43.652 -53.374 -76.680 1.00 42.42 H new ATOM 0 HB3 ALA A 42 42.828 -54.302 -75.404 1.00 42.42 H new ATOM 613 N ALA A 43 41.928 -57.239 -76.251 1.00 31.13 N ATOM 614 CA ALA A 43 41.756 -58.549 -75.634 1.00 43.41 C ATOM 615 C ALA A 43 42.252 -59.658 -76.555 1.00 74.33 C ATOM 616 O ALA A 43 42.582 -60.755 -76.102 1.00 3.35 O ATOM 617 CB ALA A 43 40.296 -58.774 -75.271 1.00 50.21 C ATOM 0 H ALA A 43 41.059 -56.725 -76.399 1.00 31.13 H new ATOM 0 HA ALA A 43 42.353 -58.576 -74.722 1.00 43.41 H new ATOM 0 HB1 ALA A 43 40.182 -59.756 -74.811 1.00 50.21 H new ATOM 0 HB2 ALA A 43 39.973 -58.005 -74.569 1.00 50.21 H new ATOM 0 HB3 ALA A 43 39.685 -58.722 -76.172 1.00 50.21 H new ATOM 623 N LEU A 44 42.300 -59.368 -77.851 1.00 11.13 N ATOM 624 CA LEU A 44 42.755 -60.342 -78.837 1.00 34.12 C ATOM 625 C LEU A 44 44.192 -60.769 -78.558 1.00 21.13 C ATOM 626 O LEU A 44 44.634 -61.826 -79.007 1.00 24.43 O ATOM 627 CB LEU A 44 42.649 -59.758 -80.246 1.00 54.34 C ATOM 628 CG LEU A 44 41.243 -59.699 -80.845 1.00 33.31 C ATOM 629 CD1 LEU A 44 41.248 -58.910 -82.145 1.00 2.24 C ATOM 630 CD2 LEU A 44 40.702 -61.103 -81.074 1.00 32.13 C ATOM 0 H LEU A 44 42.029 -58.466 -78.243 1.00 11.13 H new ATOM 0 HA LEU A 44 42.114 -61.221 -78.765 1.00 34.12 H new ATOM 0 HB2 LEU A 44 43.058 -58.748 -80.231 1.00 54.34 H new ATOM 0 HB3 LEU A 44 43.281 -60.348 -80.910 1.00 54.34 H new ATOM 0 HG LEU A 44 40.589 -59.189 -80.137 1.00 33.31 H new ATOM 0 HD11 LEU A 44 40.239 -58.879 -82.556 1.00 2.24 H new ATOM 0 HD12 LEU A 44 41.593 -57.894 -81.953 1.00 2.24 H new ATOM 0 HD13 LEU A 44 41.916 -59.391 -82.860 1.00 2.24 H new ATOM 0 HD21 LEU A 44 39.701 -61.042 -81.501 1.00 32.13 H new ATOM 0 HD22 LEU A 44 41.357 -61.638 -81.761 1.00 32.13 H new ATOM 0 HD23 LEU A 44 40.660 -61.636 -80.124 1.00 32.13 H new ATOM 642 N SER A 45 44.916 -59.940 -77.812 1.00 31.52 N ATOM 643 CA SER A 45 46.304 -60.231 -77.474 1.00 23.43 C ATOM 644 C SER A 45 46.467 -60.429 -75.970 1.00 2.23 C ATOM 645 O SER A 45 45.631 -60.011 -75.169 1.00 10.24 O ATOM 646 CB SER A 45 47.216 -59.100 -77.953 1.00 12.12 C ATOM 647 OG SER A 45 48.156 -59.570 -78.904 1.00 15.14 O ATOM 0 H SER A 45 44.564 -59.062 -77.430 1.00 31.52 H new ATOM 0 HA SER A 45 46.588 -61.155 -77.977 1.00 23.43 H new ATOM 0 HB2 SER A 45 46.614 -58.306 -78.394 1.00 12.12 H new ATOM 0 HB3 SER A 45 47.741 -58.667 -77.102 1.00 12.12 H new ATOM 0 HG SER A 45 48.726 -58.828 -79.195 1.00 15.14 H new ATOM 653 N PRO A 46 47.571 -61.082 -75.576 1.00 14.23 N ATOM 654 CA PRO A 46 47.871 -61.350 -74.166 1.00 52.01 C ATOM 655 C PRO A 46 48.228 -60.082 -73.398 1.00 64.02 C ATOM 656 O PRO A 46 49.330 -59.549 -73.537 1.00 30.13 O ATOM 657 CB PRO A 46 49.075 -62.292 -74.233 1.00 64.21 C ATOM 658 CG PRO A 46 49.724 -61.986 -75.539 1.00 0.43 C ATOM 659 CD PRO A 46 48.610 -61.608 -76.476 1.00 23.21 C ATOM 0 HA PRO A 46 47.014 -61.769 -73.639 1.00 52.01 H new ATOM 0 HB2 PRO A 46 49.759 -62.120 -73.402 1.00 64.21 H new ATOM 0 HB3 PRO A 46 48.765 -63.336 -74.180 1.00 64.21 H new ATOM 0 HG2 PRO A 46 50.441 -61.172 -75.437 1.00 0.43 H new ATOM 0 HG3 PRO A 46 50.273 -62.850 -75.914 1.00 0.43 H new ATOM 0 HD2 PRO A 46 48.931 -60.859 -77.200 1.00 23.21 H new ATOM 0 HD3 PRO A 46 48.253 -62.468 -77.043 1.00 23.21 H new ATOM 667 N THR A 47 47.291 -59.602 -72.587 1.00 74.50 N ATOM 668 CA THR A 47 47.507 -58.397 -71.798 1.00 14.35 C ATOM 669 C THR A 47 46.321 -58.120 -70.880 1.00 71.50 C ATOM 670 O THR A 47 45.344 -58.870 -70.868 1.00 62.43 O ATOM 671 CB THR A 47 47.741 -57.170 -72.699 1.00 14.53 C ATOM 672 OG1 THR A 47 48.153 -56.051 -71.906 1.00 14.34 O ATOM 673 CG2 THR A 47 46.477 -56.814 -73.468 1.00 62.41 C ATOM 0 H THR A 47 46.374 -60.030 -72.460 1.00 74.50 H new ATOM 0 HA THR A 47 48.398 -58.571 -71.194 1.00 14.35 H new ATOM 0 HB THR A 47 48.526 -57.417 -73.414 1.00 14.53 H new ATOM 0 HG1 THR A 47 47.418 -55.405 -71.845 1.00 14.34 H new ATOM 0 HG21 THR A 47 46.667 -55.944 -74.097 1.00 62.41 H new ATOM 0 HG22 THR A 47 46.182 -57.657 -74.093 1.00 62.41 H new ATOM 0 HG23 THR A 47 45.676 -56.585 -72.765 1.00 62.41 H new ATOM 681 N HIS A 48 46.412 -57.039 -70.112 1.00 60.22 N ATOM 682 CA HIS A 48 45.345 -56.663 -69.192 1.00 30.35 C ATOM 683 C HIS A 48 44.941 -55.206 -69.394 1.00 4.13 C ATOM 684 O HIS A 48 45.778 -54.305 -69.332 1.00 3.01 O ATOM 685 CB HIS A 48 45.788 -56.886 -67.745 1.00 44.13 C ATOM 686 CG HIS A 48 44.769 -56.459 -66.734 1.00 24.31 C ATOM 687 ND1 HIS A 48 43.749 -57.280 -66.302 1.00 10.45 N ATOM 688 CD2 HIS A 48 44.619 -55.291 -66.068 1.00 13.33 C ATOM 689 CE1 HIS A 48 43.014 -56.634 -65.414 1.00 54.43 C ATOM 690 NE2 HIS A 48 43.521 -55.424 -65.254 1.00 74.52 N ATOM 0 H HIS A 48 47.214 -56.408 -70.109 1.00 60.22 H new ATOM 0 HA HIS A 48 44.481 -57.293 -69.401 1.00 30.35 H new ATOM 0 HB2 HIS A 48 46.010 -57.943 -67.601 1.00 44.13 H new ATOM 0 HB3 HIS A 48 46.714 -56.339 -67.569 1.00 44.13 H new ATOM 0 HD2 HIS A 48 45.246 -54.417 -66.159 1.00 13.33 H new ATOM 0 HE1 HIS A 48 42.146 -57.028 -64.905 1.00 54.43 H new ATOM 0 HE2 HIS A 48 43.156 -54.706 -64.628 1.00 74.52 H new ATOM 698 N PHE A 49 43.654 -54.982 -69.636 1.00 42.42 N ATOM 699 CA PHE A 49 43.140 -53.634 -69.849 1.00 51.34 C ATOM 700 C PHE A 49 42.184 -53.233 -68.730 1.00 32.13 C ATOM 701 O PHE A 49 41.223 -53.944 -68.434 1.00 11.32 O ATOM 702 CB PHE A 49 42.427 -53.545 -71.200 1.00 41.33 C ATOM 703 CG PHE A 49 41.544 -54.725 -71.491 1.00 44.43 C ATOM 704 CD1 PHE A 49 40.236 -54.757 -71.036 1.00 50.44 C ATOM 705 CD2 PHE A 49 42.023 -55.801 -72.220 1.00 72.51 C ATOM 706 CE1 PHE A 49 39.422 -55.841 -71.302 1.00 61.41 C ATOM 707 CE2 PHE A 49 41.213 -56.889 -72.489 1.00 63.03 C ATOM 708 CZ PHE A 49 39.911 -56.908 -72.030 1.00 72.45 C ATOM 0 H PHE A 49 42.948 -55.716 -69.690 1.00 42.42 H new ATOM 0 HA PHE A 49 43.985 -52.945 -69.845 1.00 51.34 H new ATOM 0 HB2 PHE A 49 41.826 -52.636 -71.225 1.00 41.33 H new ATOM 0 HB3 PHE A 49 43.173 -53.456 -71.990 1.00 41.33 H new ATOM 0 HD1 PHE A 49 39.848 -53.925 -70.467 1.00 50.44 H new ATOM 0 HD2 PHE A 49 43.040 -55.790 -72.582 1.00 72.51 H new ATOM 0 HE1 PHE A 49 38.404 -55.854 -70.941 1.00 61.41 H new ATOM 0 HE2 PHE A 49 41.598 -57.723 -73.057 1.00 63.03 H new ATOM 0 HZ PHE A 49 39.276 -57.756 -72.240 1.00 72.45 H new ATOM 718 N LYS A 50 42.455 -52.090 -68.110 1.00 15.44 N ATOM 719 CA LYS A 50 41.620 -51.592 -67.023 1.00 12.32 C ATOM 720 C LYS A 50 41.102 -50.191 -67.333 1.00 14.14 C ATOM 721 O LYS A 50 41.875 -49.235 -67.411 1.00 34.04 O ATOM 722 CB LYS A 50 42.409 -51.577 -65.712 1.00 1.42 C ATOM 723 CG LYS A 50 41.610 -51.062 -64.527 1.00 22.33 C ATOM 724 CD LYS A 50 42.315 -49.905 -63.839 1.00 62.20 C ATOM 725 CE LYS A 50 41.648 -49.551 -62.519 1.00 33.21 C ATOM 726 NZ LYS A 50 42.538 -48.734 -61.649 1.00 11.21 N ATOM 0 H LYS A 50 43.247 -51.490 -68.342 1.00 15.44 H new ATOM 0 HA LYS A 50 40.766 -52.261 -66.918 1.00 12.32 H new ATOM 0 HB2 LYS A 50 42.755 -52.587 -65.494 1.00 1.42 H new ATOM 0 HB3 LYS A 50 43.296 -50.956 -65.839 1.00 1.42 H new ATOM 0 HG2 LYS A 50 40.625 -50.740 -64.864 1.00 22.33 H new ATOM 0 HG3 LYS A 50 41.454 -51.871 -63.813 1.00 22.33 H new ATOM 0 HD2 LYS A 50 43.358 -50.167 -63.662 1.00 62.20 H new ATOM 0 HD3 LYS A 50 42.312 -49.034 -64.494 1.00 62.20 H new ATOM 0 HE2 LYS A 50 40.727 -49.002 -62.714 1.00 33.21 H new ATOM 0 HE3 LYS A 50 41.369 -50.466 -61.996 1.00 33.21 H new ATOM 0 HZ1 LYS A 50 42.047 -48.514 -60.759 1.00 11.21 H new ATOM 0 HZ2 LYS A 50 43.406 -49.268 -61.442 1.00 11.21 H new ATOM 0 HZ3 LYS A 50 42.784 -47.849 -62.137 1.00 11.21 H new ATOM 740 N LEU A 51 39.790 -50.076 -67.507 1.00 13.41 N ATOM 741 CA LEU A 51 39.168 -48.790 -67.807 1.00 33.54 C ATOM 742 C LEU A 51 38.048 -48.483 -66.817 1.00 62.41 C ATOM 743 O LEU A 51 37.131 -49.285 -66.634 1.00 43.33 O ATOM 744 CB LEU A 51 38.617 -48.788 -69.234 1.00 23.52 C ATOM 745 CG LEU A 51 37.806 -47.557 -69.639 1.00 23.03 C ATOM 746 CD1 LEU A 51 37.929 -47.305 -71.133 1.00 51.14 C ATOM 747 CD2 LEU A 51 36.347 -47.726 -69.242 1.00 52.33 C ATOM 0 H LEU A 51 39.136 -50.857 -67.446 1.00 13.41 H new ATOM 0 HA LEU A 51 39.930 -48.016 -67.717 1.00 33.54 H new ATOM 0 HB2 LEU A 51 39.454 -48.891 -69.925 1.00 23.52 H new ATOM 0 HB3 LEU A 51 37.989 -49.670 -69.361 1.00 23.52 H new ATOM 0 HG LEU A 51 38.207 -46.691 -69.112 1.00 23.03 H new ATOM 0 HD11 LEU A 51 37.345 -46.425 -71.403 1.00 51.14 H new ATOM 0 HD12 LEU A 51 38.975 -47.139 -71.389 1.00 51.14 H new ATOM 0 HD13 LEU A 51 37.555 -48.170 -71.680 1.00 51.14 H new ATOM 0 HD21 LEU A 51 35.785 -46.840 -69.538 1.00 52.33 H new ATOM 0 HD22 LEU A 51 35.933 -48.602 -69.741 1.00 52.33 H new ATOM 0 HD23 LEU A 51 36.277 -47.857 -68.162 1.00 52.33 H new ATOM 759 N ILE A 52 38.129 -47.318 -66.184 1.00 33.35 N ATOM 760 CA ILE A 52 37.121 -46.904 -65.216 1.00 35.44 C ATOM 761 C ILE A 52 36.536 -45.544 -65.579 1.00 11.44 C ATOM 762 O ILE A 52 37.218 -44.523 -65.499 1.00 53.24 O ATOM 763 CB ILE A 52 37.702 -46.837 -63.791 1.00 71.30 C ATOM 764 CG1 ILE A 52 38.971 -45.982 -63.774 1.00 73.42 C ATOM 765 CG2 ILE A 52 37.993 -48.237 -63.271 1.00 71.22 C ATOM 766 CD1 ILE A 52 38.871 -44.771 -62.874 1.00 24.24 C ATOM 0 H ILE A 52 38.882 -46.644 -66.324 1.00 33.35 H new ATOM 0 HA ILE A 52 36.332 -47.655 -65.242 1.00 35.44 H new ATOM 0 HB ILE A 52 36.965 -46.373 -63.135 1.00 71.30 H new ATOM 0 HG12 ILE A 52 39.810 -46.598 -63.449 1.00 73.42 H new ATOM 0 HG13 ILE A 52 39.191 -45.653 -64.789 1.00 73.42 H new ATOM 0 HG21 ILE A 52 38.403 -48.173 -62.263 1.00 71.22 H new ATOM 0 HG22 ILE A 52 37.070 -48.817 -63.251 1.00 71.22 H new ATOM 0 HG23 ILE A 52 38.715 -48.726 -63.926 1.00 71.22 H new ATOM 0 HD11 ILE A 52 39.806 -44.212 -62.911 1.00 24.24 H new ATOM 0 HD12 ILE A 52 38.053 -44.134 -63.211 1.00 24.24 H new ATOM 0 HD13 ILE A 52 38.682 -45.093 -61.850 1.00 24.24 H new ATOM 778 N ASN A 53 35.267 -45.538 -65.976 1.00 5.54 N ATOM 779 CA ASN A 53 34.590 -44.302 -66.350 1.00 14.42 C ATOM 780 C ASN A 53 33.466 -43.979 -65.369 1.00 43.12 C ATOM 781 O ASN A 53 32.568 -44.792 -65.149 1.00 41.40 O ATOM 782 CB ASN A 53 34.027 -44.413 -67.768 1.00 61.33 C ATOM 783 CG ASN A 53 33.199 -43.204 -68.159 1.00 22.22 C ATOM 784 OD1 ASN A 53 32.034 -43.087 -67.779 1.00 1.10 O ATOM 785 ND2 ASN A 53 33.799 -42.298 -68.922 1.00 2.12 N ATOM 0 H ASN A 53 34.688 -46.375 -66.047 1.00 5.54 H new ATOM 0 HA ASN A 53 35.320 -43.493 -66.318 1.00 14.42 H new ATOM 0 HB2 ASN A 53 34.849 -44.530 -68.474 1.00 61.33 H new ATOM 0 HB3 ASN A 53 33.412 -45.310 -67.843 1.00 61.33 H new ATOM 0 HD21 ASN A 53 33.292 -41.463 -69.217 1.00 2.12 H new ATOM 0 HD22 ASN A 53 34.767 -42.437 -69.213 1.00 2.12 H new ATOM 792 N ASP A 54 33.523 -42.788 -64.784 1.00 5.20 N ATOM 793 CA ASP A 54 32.510 -42.356 -63.828 1.00 23.10 C ATOM 794 C ASP A 54 31.356 -41.656 -64.538 1.00 60.14 C ATOM 795 O ASP A 54 30.283 -41.469 -63.965 1.00 20.11 O ATOM 796 CB ASP A 54 33.127 -41.421 -62.786 1.00 52.05 C ATOM 797 CG ASP A 54 32.336 -41.393 -61.493 1.00 51.14 C ATOM 798 OD1 ASP A 54 31.939 -42.477 -61.018 1.00 13.13 O ATOM 799 OD2 ASP A 54 32.113 -40.287 -60.957 1.00 43.25 O ATOM 0 H ASP A 54 34.260 -42.104 -64.955 1.00 5.20 H new ATOM 0 HA ASP A 54 32.120 -43.241 -63.325 1.00 23.10 H new ATOM 0 HB2 ASP A 54 34.149 -41.738 -62.577 1.00 52.05 H new ATOM 0 HB3 ASP A 54 33.184 -40.412 -63.196 1.00 52.05 H new ATOM 804 N SER A 55 31.585 -41.270 -65.790 1.00 33.33 N ATOM 805 CA SER A 55 30.566 -40.586 -66.577 1.00 74.31 C ATOM 806 C SER A 55 29.980 -39.409 -65.803 1.00 21.22 C ATOM 807 O SER A 55 30.493 -39.026 -64.751 1.00 23.21 O ATOM 808 CB SER A 55 29.452 -41.561 -66.965 1.00 52.54 C ATOM 809 OG SER A 55 29.319 -41.649 -68.374 1.00 4.35 O ATOM 0 H SER A 55 32.467 -41.420 -66.280 1.00 33.33 H new ATOM 0 HA SER A 55 31.037 -40.204 -67.483 1.00 74.31 H new ATOM 0 HB2 SER A 55 29.668 -42.547 -66.555 1.00 52.54 H new ATOM 0 HB3 SER A 55 28.509 -41.234 -66.527 1.00 52.54 H new ATOM 0 HG SER A 55 30.177 -41.912 -68.768 1.00 4.35 H new ATOM 815 N HIS A 56 28.902 -38.839 -66.331 1.00 72.12 N ATOM 816 CA HIS A 56 28.245 -37.705 -65.690 1.00 72.44 C ATOM 817 C HIS A 56 26.969 -37.324 -66.436 1.00 25.10 C ATOM 818 O HIS A 56 26.983 -36.452 -67.305 1.00 72.33 O ATOM 819 CB HIS A 56 29.192 -36.507 -65.630 1.00 42.15 C ATOM 820 CG HIS A 56 28.896 -35.565 -64.504 1.00 63.21 C ATOM 821 ND1 HIS A 56 28.294 -34.338 -64.687 1.00 71.43 N ATOM 822 CD2 HIS A 56 29.122 -35.677 -63.174 1.00 71.02 C ATOM 823 CE1 HIS A 56 28.163 -33.736 -63.519 1.00 43.30 C ATOM 824 NE2 HIS A 56 28.658 -34.527 -62.584 1.00 74.22 N ATOM 0 H HIS A 56 28.465 -39.143 -67.201 1.00 72.12 H new ATOM 0 HA HIS A 56 27.978 -37.998 -64.675 1.00 72.44 H new ATOM 0 HB2 HIS A 56 30.216 -36.868 -65.531 1.00 42.15 H new ATOM 0 HB3 HIS A 56 29.136 -35.962 -66.573 1.00 42.15 H new ATOM 0 HD2 HIS A 56 29.582 -36.515 -62.671 1.00 71.02 H new ATOM 0 HE1 HIS A 56 27.725 -32.762 -63.356 1.00 43.30 H new ATOM 0 HE2 HIS A 56 28.690 -34.318 -61.586 1.00 74.22 H new ATOM 1069 N THR A 75 40.157 -35.343 -63.785 1.00 34.13 N ATOM 1070 CA THR A 75 39.746 -36.417 -64.681 1.00 14.43 C ATOM 1071 C THR A 75 38.827 -37.404 -63.970 1.00 64.42 C ATOM 1072 O THR A 75 38.869 -37.537 -62.747 1.00 2.14 O ATOM 1073 CB THR A 75 40.962 -37.176 -65.242 1.00 62.50 C ATOM 1074 OG1 THR A 75 41.307 -38.260 -64.372 1.00 3.02 O ATOM 1075 CG2 THR A 75 42.155 -36.246 -65.400 1.00 25.31 C ATOM 0 HA THR A 75 39.206 -35.952 -65.506 1.00 14.43 H new ATOM 0 HB THR A 75 40.696 -37.569 -66.223 1.00 62.50 H new ATOM 0 HG1 THR A 75 41.242 -39.106 -64.862 1.00 3.02 H new ATOM 0 HG21 THR A 75 43.002 -36.805 -65.798 1.00 25.31 H new ATOM 0 HG22 THR A 75 41.899 -35.439 -66.086 1.00 25.31 H new ATOM 0 HG23 THR A 75 42.421 -35.827 -64.430 1.00 25.31 H new ATOM 1083 N HIS A 76 37.998 -38.097 -64.745 1.00 23.12 N ATOM 1084 CA HIS A 76 37.070 -39.075 -64.189 1.00 11.03 C ATOM 1085 C HIS A 76 37.281 -40.446 -64.823 1.00 73.43 C ATOM 1086 O HIS A 76 37.061 -41.477 -64.186 1.00 40.14 O ATOM 1087 CB HIS A 76 35.627 -38.618 -64.402 1.00 15.12 C ATOM 1088 CG HIS A 76 35.120 -38.862 -65.790 1.00 51.30 C ATOM 1089 ND1 HIS A 76 33.973 -39.579 -66.057 1.00 51.15 N ATOM 1090 CD2 HIS A 76 35.610 -38.477 -66.992 1.00 22.33 C ATOM 1091 CE1 HIS A 76 33.781 -39.627 -67.364 1.00 14.44 C ATOM 1092 NE2 HIS A 76 34.760 -38.965 -67.953 1.00 61.24 N ATOM 0 H HIS A 76 37.950 -37.999 -65.759 1.00 23.12 H new ATOM 0 HA HIS A 76 37.263 -39.156 -63.119 1.00 11.03 H new ATOM 0 HB2 HIS A 76 34.982 -39.136 -63.692 1.00 15.12 H new ATOM 0 HB3 HIS A 76 35.555 -37.553 -64.180 1.00 15.12 H new ATOM 0 HD1 HIS A 76 33.367 -40.006 -65.356 1.00 51.15 H new ATOM 0 HD2 HIS A 76 36.503 -37.894 -67.163 1.00 22.33 H new ATOM 0 HE1 HIS A 76 32.963 -40.123 -67.865 1.00 14.44 H new ATOM 1100 N PHE A 77 37.707 -40.451 -66.082 1.00 22.31 N ATOM 1101 CA PHE A 77 37.946 -41.696 -66.803 1.00 51.03 C ATOM 1102 C PHE A 77 39.437 -41.905 -67.049 1.00 23.05 C ATOM 1103 O PHE A 77 40.146 -40.984 -67.455 1.00 55.31 O ATOM 1104 CB PHE A 77 37.194 -41.690 -68.136 1.00 43.11 C ATOM 1105 CG PHE A 77 37.951 -42.348 -69.254 1.00 20.50 C ATOM 1106 CD1 PHE A 77 38.282 -43.692 -69.186 1.00 65.24 C ATOM 1107 CD2 PHE A 77 38.330 -41.624 -70.372 1.00 64.25 C ATOM 1108 CE1 PHE A 77 38.979 -44.300 -70.213 1.00 64.34 C ATOM 1109 CE2 PHE A 77 39.027 -42.227 -71.403 1.00 22.01 C ATOM 1110 CZ PHE A 77 39.351 -43.567 -71.323 1.00 61.25 C ATOM 0 H PHE A 77 37.894 -39.607 -66.624 1.00 22.31 H new ATOM 0 HA PHE A 77 37.578 -42.518 -66.189 1.00 51.03 H new ATOM 0 HB2 PHE A 77 36.238 -42.198 -68.007 1.00 43.11 H new ATOM 0 HB3 PHE A 77 36.973 -40.660 -68.415 1.00 43.11 H new ATOM 0 HD1 PHE A 77 37.992 -44.270 -68.321 1.00 65.24 H new ATOM 0 HD2 PHE A 77 38.078 -40.576 -70.440 1.00 64.25 H new ATOM 0 HE1 PHE A 77 39.233 -45.348 -70.148 1.00 64.34 H new ATOM 0 HE2 PHE A 77 39.317 -41.651 -72.269 1.00 22.01 H new ATOM 0 HZ PHE A 77 39.894 -44.041 -72.127 1.00 61.25 H new ATOM 1120 N ARG A 78 39.907 -43.123 -66.798 1.00 2.44 N ATOM 1121 CA ARG A 78 41.314 -43.453 -66.989 1.00 22.10 C ATOM 1122 C ARG A 78 41.467 -44.823 -67.642 1.00 72.55 C ATOM 1123 O ARG A 78 40.705 -45.748 -67.356 1.00 24.34 O ATOM 1124 CB ARG A 78 42.052 -43.430 -65.649 1.00 62.12 C ATOM 1125 CG ARG A 78 42.009 -44.756 -64.907 1.00 64.04 C ATOM 1126 CD ARG A 78 42.084 -44.555 -63.402 1.00 1.20 C ATOM 1127 NE ARG A 78 43.445 -44.270 -62.955 1.00 13.43 N ATOM 1128 CZ ARG A 78 43.745 -43.872 -61.723 1.00 64.23 C ATOM 1129 NH1 ARG A 78 42.787 -43.714 -60.821 1.00 74.34 N ATOM 1130 NH2 ARG A 78 45.008 -43.632 -61.392 1.00 33.40 N ATOM 0 H ARG A 78 39.334 -43.897 -66.462 1.00 2.44 H new ATOM 0 HA ARG A 78 41.750 -42.704 -67.649 1.00 22.10 H new ATOM 0 HB2 ARG A 78 43.092 -43.153 -65.821 1.00 62.12 H new ATOM 0 HB3 ARG A 78 41.617 -42.656 -65.017 1.00 62.12 H new ATOM 0 HG2 ARG A 78 41.090 -45.286 -65.159 1.00 64.04 H new ATOM 0 HG3 ARG A 78 42.838 -45.384 -65.233 1.00 64.04 H new ATOM 0 HD2 ARG A 78 41.428 -43.734 -63.113 1.00 1.20 H new ATOM 0 HD3 ARG A 78 41.717 -45.449 -62.898 1.00 1.20 H new ATOM 0 HE ARG A 78 44.206 -44.383 -63.625 1.00 13.43 H new ATOM 0 HH11 ARG A 78 41.815 -43.898 -61.071 1.00 74.34 H new ATOM 0 HH12 ARG A 78 43.021 -43.408 -59.876 1.00 74.34 H new ATOM 0 HH21 ARG A 78 45.748 -43.753 -62.083 1.00 33.40 H new ATOM 0 HH22 ARG A 78 45.238 -43.327 -60.446 1.00 33.40 H new ATOM 1144 N LEU A 79 42.454 -44.947 -68.522 1.00 44.23 N ATOM 1145 CA LEU A 79 42.707 -46.204 -69.218 1.00 22.15 C ATOM 1146 C LEU A 79 44.121 -46.705 -68.941 1.00 2.32 C ATOM 1147 O LEU A 79 45.101 -46.039 -69.273 1.00 2.33 O ATOM 1148 CB LEU A 79 42.502 -46.027 -70.723 1.00 60.40 C ATOM 1149 CG LEU A 79 41.912 -47.227 -71.465 1.00 54.34 C ATOM 1150 CD1 LEU A 79 42.264 -47.166 -72.944 1.00 12.25 C ATOM 1151 CD2 LEU A 79 42.404 -48.529 -70.851 1.00 72.12 C ATOM 0 H LEU A 79 43.093 -44.192 -68.771 1.00 44.23 H new ATOM 0 HA LEU A 79 42.000 -46.945 -68.846 1.00 22.15 H new ATOM 0 HB2 LEU A 79 41.848 -45.169 -70.882 1.00 60.40 H new ATOM 0 HB3 LEU A 79 43.464 -45.783 -71.174 1.00 60.40 H new ATOM 0 HG LEU A 79 40.827 -47.191 -71.369 1.00 54.34 H new ATOM 0 HD11 LEU A 79 41.836 -48.028 -73.456 1.00 12.25 H new ATOM 0 HD12 LEU A 79 41.861 -46.250 -73.376 1.00 12.25 H new ATOM 0 HD13 LEU A 79 43.348 -47.176 -73.061 1.00 12.25 H new ATOM 0 HD21 LEU A 79 41.974 -49.372 -71.392 1.00 72.12 H new ATOM 0 HD22 LEU A 79 43.491 -48.574 -70.915 1.00 72.12 H new ATOM 0 HD23 LEU A 79 42.100 -48.576 -69.805 1.00 72.12 H new ATOM 1163 N GLU A 80 44.218 -47.883 -68.333 1.00 0.13 N ATOM 1164 CA GLU A 80 45.513 -48.473 -68.013 1.00 52.32 C ATOM 1165 C GLU A 80 45.619 -49.888 -68.573 1.00 72.30 C ATOM 1166 O GLU A 80 44.817 -50.761 -68.240 1.00 70.34 O ATOM 1167 CB GLU A 80 45.729 -48.494 -66.498 1.00 75.05 C ATOM 1168 CG GLU A 80 46.408 -47.245 -65.963 1.00 13.12 C ATOM 1169 CD GLU A 80 47.564 -47.562 -65.035 1.00 65.10 C ATOM 1170 OE1 GLU A 80 48.423 -48.385 -65.418 1.00 13.32 O ATOM 1171 OE2 GLU A 80 47.611 -46.989 -63.927 1.00 5.41 O ATOM 0 H GLU A 80 43.416 -48.447 -68.052 1.00 0.13 H new ATOM 0 HA GLU A 80 46.287 -47.859 -68.474 1.00 52.32 H new ATOM 0 HB2 GLU A 80 44.765 -48.613 -66.004 1.00 75.05 H new ATOM 0 HB3 GLU A 80 46.331 -49.365 -66.237 1.00 75.05 H new ATOM 0 HG2 GLU A 80 46.771 -46.647 -66.799 1.00 13.12 H new ATOM 0 HG3 GLU A 80 45.676 -46.637 -65.431 1.00 13.12 H new ATOM 1178 N VAL A 81 46.614 -50.108 -69.426 1.00 44.01 N ATOM 1179 CA VAL A 81 46.827 -51.417 -70.032 1.00 53.25 C ATOM 1180 C VAL A 81 48.217 -51.953 -69.709 1.00 72.15 C ATOM 1181 O VAL A 81 49.223 -51.284 -69.944 1.00 44.45 O ATOM 1182 CB VAL A 81 46.652 -51.362 -71.562 1.00 3.32 C ATOM 1183 CG1 VAL A 81 46.706 -49.924 -72.054 1.00 51.51 C ATOM 1184 CG2 VAL A 81 47.712 -52.209 -72.249 1.00 62.14 C ATOM 0 H VAL A 81 47.286 -49.396 -69.713 1.00 44.01 H new ATOM 0 HA VAL A 81 46.077 -52.086 -69.612 1.00 53.25 H new ATOM 0 HB VAL A 81 45.673 -51.770 -71.814 1.00 3.32 H new ATOM 0 HG11 VAL A 81 46.581 -49.905 -73.137 1.00 51.51 H new ATOM 0 HG12 VAL A 81 45.907 -49.349 -71.586 1.00 51.51 H new ATOM 0 HG13 VAL A 81 47.669 -49.486 -71.793 1.00 51.51 H new ATOM 0 HG21 VAL A 81 47.574 -52.159 -73.329 1.00 62.14 H new ATOM 0 HG22 VAL A 81 48.702 -51.832 -71.992 1.00 62.14 H new ATOM 0 HG23 VAL A 81 47.621 -53.244 -71.919 1.00 62.14 H new ATOM 1194 N THR A 82 48.266 -53.167 -69.169 1.00 42.30 N ATOM 1195 CA THR A 82 49.533 -53.794 -68.813 1.00 14.23 C ATOM 1196 C THR A 82 49.744 -55.087 -69.592 1.00 3.21 C ATOM 1197 O THR A 82 48.970 -56.035 -69.462 1.00 52.33 O ATOM 1198 CB THR A 82 49.604 -54.099 -67.305 1.00 33.14 C ATOM 1199 OG1 THR A 82 49.485 -52.886 -66.553 1.00 52.01 O ATOM 1200 CG2 THR A 82 50.911 -54.793 -66.954 1.00 3.21 C ATOM 0 H THR A 82 47.443 -53.735 -68.969 1.00 42.30 H new ATOM 0 HA THR A 82 50.320 -53.085 -69.070 1.00 14.23 H new ATOM 0 HB THR A 82 48.779 -54.765 -67.053 1.00 33.14 H new ATOM 0 HG1 THR A 82 49.529 -53.089 -65.595 1.00 52.01 H new ATOM 0 HG21 THR A 82 50.938 -54.998 -65.884 1.00 3.21 H new ATOM 0 HG22 THR A 82 50.985 -55.730 -67.505 1.00 3.21 H new ATOM 0 HG23 THR A 82 51.748 -54.148 -67.221 1.00 3.21 H new ATOM 1208 N SER A 83 50.798 -55.119 -70.401 1.00 4.11 N ATOM 1209 CA SER A 83 51.110 -56.296 -71.204 1.00 2.42 C ATOM 1210 C SER A 83 52.497 -56.833 -70.864 1.00 42.04 C ATOM 1211 O SER A 83 53.511 -56.262 -71.266 1.00 25.14 O ATOM 1212 CB SER A 83 51.032 -55.958 -72.694 1.00 4.41 C ATOM 1213 OG SER A 83 50.313 -54.756 -72.907 1.00 54.23 O ATOM 0 H SER A 83 51.450 -54.344 -70.518 1.00 4.11 H new ATOM 0 HA SER A 83 50.375 -57.067 -70.975 1.00 2.42 H new ATOM 0 HB2 SER A 83 52.038 -55.861 -73.101 1.00 4.41 H new ATOM 0 HB3 SER A 83 50.549 -56.775 -73.231 1.00 4.41 H new ATOM 0 HG SER A 83 49.387 -54.872 -72.609 1.00 54.23 H new ATOM 1219 N ASP A 84 52.533 -57.934 -70.123 1.00 35.44 N ATOM 1220 CA ASP A 84 53.794 -58.551 -69.729 1.00 41.00 C ATOM 1221 C ASP A 84 54.538 -57.674 -68.727 1.00 3.10 C ATOM 1222 O ASP A 84 55.675 -57.965 -68.357 1.00 44.42 O ATOM 1223 CB ASP A 84 54.670 -58.799 -70.958 1.00 23.12 C ATOM 1224 CG ASP A 84 53.866 -59.253 -72.160 1.00 62.41 C ATOM 1225 OD1 ASP A 84 53.079 -60.213 -72.020 1.00 13.34 O ATOM 1226 OD2 ASP A 84 54.024 -58.649 -73.241 1.00 73.13 O ATOM 0 H ASP A 84 51.702 -58.418 -69.782 1.00 35.44 H new ATOM 0 HA ASP A 84 53.571 -59.506 -69.253 1.00 41.00 H new ATOM 0 HB2 ASP A 84 55.207 -57.884 -71.208 1.00 23.12 H new ATOM 0 HB3 ASP A 84 55.420 -59.554 -70.720 1.00 23.12 H new ATOM 1231 N ALA A 85 53.889 -56.599 -68.292 1.00 53.14 N ATOM 1232 CA ALA A 85 54.488 -55.680 -67.333 1.00 24.11 C ATOM 1233 C ALA A 85 55.929 -55.354 -67.711 1.00 61.05 C ATOM 1234 O ALA A 85 56.870 -55.934 -67.170 1.00 64.53 O ATOM 1235 CB ALA A 85 54.429 -56.268 -65.931 1.00 23.41 C ATOM 0 H ALA A 85 52.947 -56.343 -68.589 1.00 53.14 H new ATOM 0 HA ALA A 85 53.916 -54.752 -67.351 1.00 24.11 H new ATOM 0 HB1 ALA A 85 54.880 -55.571 -65.225 1.00 23.41 H new ATOM 0 HB2 ALA A 85 53.390 -56.444 -65.654 1.00 23.41 H new ATOM 0 HB3 ALA A 85 54.975 -57.211 -65.909 1.00 23.41 H new ATOM 1241 N PHE A 86 56.094 -54.422 -68.645 1.00 24.43 N ATOM 1242 CA PHE A 86 57.421 -54.020 -69.097 1.00 61.41 C ATOM 1243 C PHE A 86 57.325 -52.978 -70.207 1.00 15.41 C ATOM 1244 O PHE A 86 57.305 -53.314 -71.391 1.00 44.01 O ATOM 1245 CB PHE A 86 58.205 -55.238 -69.592 1.00 51.43 C ATOM 1246 CG PHE A 86 59.399 -55.568 -68.743 1.00 12.00 C ATOM 1247 CD1 PHE A 86 60.337 -54.596 -68.436 1.00 24.20 C ATOM 1248 CD2 PHE A 86 59.583 -56.851 -68.252 1.00 52.41 C ATOM 1249 CE1 PHE A 86 61.437 -54.897 -67.654 1.00 41.33 C ATOM 1250 CE2 PHE A 86 60.680 -57.157 -67.470 1.00 1.23 C ATOM 1251 CZ PHE A 86 61.609 -56.179 -67.172 1.00 21.15 C ATOM 0 H PHE A 86 55.326 -53.932 -69.103 1.00 24.43 H new ATOM 0 HA PHE A 86 57.947 -53.577 -68.251 1.00 61.41 H new ATOM 0 HB2 PHE A 86 57.540 -56.101 -69.621 1.00 51.43 H new ATOM 0 HB3 PHE A 86 58.535 -55.056 -70.615 1.00 51.43 H new ATOM 0 HD1 PHE A 86 60.208 -53.592 -68.812 1.00 24.20 H new ATOM 0 HD2 PHE A 86 58.861 -57.620 -68.483 1.00 52.41 H new ATOM 0 HE1 PHE A 86 62.161 -54.130 -67.421 1.00 41.33 H new ATOM 0 HE2 PHE A 86 60.811 -58.160 -67.092 1.00 1.23 H new ATOM 0 HZ PHE A 86 62.468 -56.417 -66.563 1.00 21.15 H new ATOM 1261 N LYS A 87 57.263 -51.709 -69.815 1.00 62.51 N ATOM 1262 CA LYS A 87 57.169 -50.616 -70.774 1.00 42.54 C ATOM 1263 C LYS A 87 58.524 -50.337 -71.417 1.00 4.04 C ATOM 1264 O LYS A 87 59.552 -50.328 -70.741 1.00 3.44 O ATOM 1265 CB LYS A 87 56.649 -49.351 -70.088 1.00 12.24 C ATOM 1266 CG LYS A 87 57.006 -48.070 -70.821 1.00 2.42 C ATOM 1267 CD LYS A 87 58.304 -47.473 -70.301 1.00 74.12 C ATOM 1268 CE LYS A 87 58.056 -46.184 -69.533 1.00 40.10 C ATOM 1269 NZ LYS A 87 59.305 -45.658 -68.914 1.00 74.44 N ATOM 0 H LYS A 87 57.276 -51.413 -68.839 1.00 62.51 H new ATOM 0 HA LYS A 87 56.470 -50.912 -71.556 1.00 42.54 H new ATOM 0 HB2 LYS A 87 55.565 -49.417 -69.997 1.00 12.24 H new ATOM 0 HB3 LYS A 87 57.052 -49.305 -69.076 1.00 12.24 H new ATOM 0 HG2 LYS A 87 57.100 -48.274 -71.888 1.00 2.42 H new ATOM 0 HG3 LYS A 87 56.199 -47.346 -70.705 1.00 2.42 H new ATOM 0 HD2 LYS A 87 58.803 -48.193 -69.653 1.00 74.12 H new ATOM 0 HD3 LYS A 87 58.976 -47.276 -71.137 1.00 74.12 H new ATOM 0 HE2 LYS A 87 57.641 -45.434 -70.206 1.00 40.10 H new ATOM 0 HE3 LYS A 87 57.312 -46.361 -68.756 1.00 40.10 H new ATOM 0 HZ1 LYS A 87 59.094 -44.779 -68.400 1.00 74.44 H new ATOM 0 HZ2 LYS A 87 59.688 -46.363 -68.252 1.00 74.44 H new ATOM 0 HZ3 LYS A 87 60.006 -45.464 -69.657 1.00 74.44 H new ATOM 1283 N GLY A 88 58.518 -50.109 -72.727 1.00 1.14 N ATOM 1284 CA GLY A 88 59.753 -49.832 -73.437 1.00 53.22 C ATOM 1285 C GLY A 88 59.514 -49.144 -74.767 1.00 5.33 C ATOM 1286 O GLY A 88 60.276 -48.260 -75.162 1.00 13.40 O ATOM 0 H GLY A 88 57.680 -50.111 -73.309 1.00 1.14 H new ATOM 0 HA2 GLY A 88 60.393 -49.205 -72.816 1.00 53.22 H new ATOM 0 HA3 GLY A 88 60.289 -50.766 -73.605 1.00 53.22 H new ATOM 1290 N LEU A 89 58.457 -49.550 -75.460 1.00 14.11 N ATOM 1291 CA LEU A 89 58.121 -48.967 -76.755 1.00 33.44 C ATOM 1292 C LEU A 89 57.165 -47.790 -76.590 1.00 42.24 C ATOM 1293 O LEU A 89 56.496 -47.657 -75.565 1.00 2.40 O ATOM 1294 CB LEU A 89 57.493 -50.025 -77.664 1.00 62.03 C ATOM 1295 CG LEU A 89 56.155 -50.601 -77.200 1.00 71.03 C ATOM 1296 CD1 LEU A 89 55.005 -49.723 -77.668 1.00 52.20 C ATOM 1297 CD2 LEU A 89 55.982 -52.025 -77.709 1.00 1.13 C ATOM 0 H LEU A 89 57.817 -50.281 -75.148 1.00 14.11 H new ATOM 0 HA LEU A 89 59.041 -48.603 -77.212 1.00 33.44 H new ATOM 0 HB2 LEU A 89 57.354 -49.589 -78.653 1.00 62.03 H new ATOM 0 HB3 LEU A 89 58.201 -50.847 -77.774 1.00 62.03 H new ATOM 0 HG LEU A 89 56.149 -50.622 -76.110 1.00 71.03 H new ATOM 0 HD11 LEU A 89 54.061 -50.149 -77.328 1.00 52.20 H new ATOM 0 HD12 LEU A 89 55.121 -48.721 -77.255 1.00 52.20 H new ATOM 0 HD13 LEU A 89 55.008 -49.669 -78.757 1.00 52.20 H new ATOM 0 HD21 LEU A 89 55.024 -52.419 -77.369 1.00 1.13 H new ATOM 0 HD22 LEU A 89 56.009 -52.028 -78.799 1.00 1.13 H new ATOM 0 HD23 LEU A 89 56.788 -52.649 -77.324 1.00 1.13 H new ATOM 1309 N THR A 90 57.104 -46.937 -77.609 1.00 21.42 N ATOM 1310 CA THR A 90 56.230 -45.772 -77.578 1.00 50.43 C ATOM 1311 C THR A 90 54.827 -46.149 -77.118 1.00 14.42 C ATOM 1312 O THR A 90 54.079 -46.806 -77.844 1.00 3.32 O ATOM 1313 CB THR A 90 56.141 -45.100 -78.962 1.00 11.13 C ATOM 1314 OG1 THR A 90 55.424 -45.943 -79.870 1.00 64.25 O ATOM 1315 CG2 THR A 90 57.529 -44.814 -79.515 1.00 12.44 C ATOM 0 H THR A 90 57.650 -47.032 -78.465 1.00 21.42 H new ATOM 0 HA THR A 90 56.665 -45.069 -76.868 1.00 50.43 H new ATOM 0 HB THR A 90 55.611 -44.154 -78.849 1.00 11.13 H new ATOM 0 HG1 THR A 90 54.940 -46.630 -79.366 1.00 64.25 H new ATOM 0 HG21 THR A 90 57.441 -44.340 -80.492 1.00 12.44 H new ATOM 0 HG22 THR A 90 58.061 -44.148 -78.836 1.00 12.44 H new ATOM 0 HG23 THR A 90 58.081 -45.749 -79.614 1.00 12.44 H new ATOM 1323 N LEU A 91 54.473 -45.729 -75.908 1.00 4.30 N ATOM 1324 CA LEU A 91 53.158 -46.022 -75.350 1.00 53.12 C ATOM 1325 C LEU A 91 52.051 -45.499 -76.261 1.00 4.01 C ATOM 1326 O LEU A 91 50.935 -46.018 -76.260 1.00 40.12 O ATOM 1327 CB LEU A 91 53.023 -45.403 -73.958 1.00 32.02 C ATOM 1328 CG LEU A 91 52.876 -43.882 -73.911 1.00 2.32 C ATOM 1329 CD1 LEU A 91 52.209 -43.450 -72.614 1.00 52.44 C ATOM 1330 CD2 LEU A 91 54.233 -43.210 -74.064 1.00 22.21 C ATOM 0 H LEU A 91 55.079 -45.184 -75.295 1.00 4.30 H new ATOM 0 HA LEU A 91 53.057 -47.104 -75.271 1.00 53.12 H new ATOM 0 HB2 LEU A 91 52.157 -45.847 -73.467 1.00 32.02 H new ATOM 0 HB3 LEU A 91 53.899 -45.682 -73.372 1.00 32.02 H new ATOM 0 HG LEU A 91 52.243 -43.572 -74.742 1.00 2.32 H new ATOM 0 HD11 LEU A 91 52.113 -42.364 -72.598 1.00 52.44 H new ATOM 0 HD12 LEU A 91 51.220 -43.903 -72.545 1.00 52.44 H new ATOM 0 HD13 LEU A 91 52.816 -43.773 -71.768 1.00 52.44 H new ATOM 0 HD21 LEU A 91 54.109 -42.128 -74.028 1.00 22.21 H new ATOM 0 HD22 LEU A 91 54.889 -43.527 -73.254 1.00 22.21 H new ATOM 0 HD23 LEU A 91 54.674 -43.493 -75.020 1.00 22.21 H new ATOM 1342 N VAL A 92 52.370 -44.469 -77.039 1.00 34.21 N ATOM 1343 CA VAL A 92 51.404 -43.878 -77.957 1.00 40.15 C ATOM 1344 C VAL A 92 50.930 -44.897 -78.987 1.00 75.11 C ATOM 1345 O VAL A 92 49.832 -44.780 -79.533 1.00 64.15 O ATOM 1346 CB VAL A 92 52.000 -42.662 -78.692 1.00 14.13 C ATOM 1347 CG1 VAL A 92 52.437 -41.598 -77.696 1.00 74.20 C ATOM 1348 CG2 VAL A 92 53.164 -43.090 -79.573 1.00 14.33 C ATOM 0 H VAL A 92 53.289 -44.027 -77.052 1.00 34.21 H new ATOM 0 HA VAL A 92 50.555 -43.551 -77.356 1.00 40.15 H new ATOM 0 HB VAL A 92 51.229 -42.232 -79.332 1.00 14.13 H new ATOM 0 HG11 VAL A 92 52.855 -40.747 -78.233 1.00 74.20 H new ATOM 0 HG12 VAL A 92 51.577 -41.271 -77.112 1.00 74.20 H new ATOM 0 HG13 VAL A 92 53.192 -42.013 -77.029 1.00 74.20 H new ATOM 0 HG21 VAL A 92 53.573 -42.219 -80.085 1.00 14.33 H new ATOM 0 HG22 VAL A 92 53.939 -43.545 -78.956 1.00 14.33 H new ATOM 0 HG23 VAL A 92 52.816 -43.813 -80.310 1.00 14.33 H new ATOM 1358 N LYS A 93 51.763 -45.898 -79.248 1.00 21.41 N ATOM 1359 CA LYS A 93 51.430 -46.941 -80.211 1.00 33.21 C ATOM 1360 C LYS A 93 50.281 -47.806 -79.701 1.00 25.03 C ATOM 1361 O LYS A 93 49.309 -48.049 -80.416 1.00 45.22 O ATOM 1362 CB LYS A 93 52.654 -47.815 -80.492 1.00 43.22 C ATOM 1363 CG LYS A 93 52.342 -49.054 -81.314 1.00 11.35 C ATOM 1364 CD LYS A 93 52.215 -50.287 -80.436 1.00 25.53 C ATOM 1365 CE LYS A 93 52.083 -51.553 -81.269 1.00 25.12 C ATOM 1366 NZ LYS A 93 51.710 -52.729 -80.435 1.00 73.34 N ATOM 0 H LYS A 93 52.675 -46.009 -78.805 1.00 21.41 H new ATOM 0 HA LYS A 93 51.116 -46.459 -81.137 1.00 33.21 H new ATOM 0 HB2 LYS A 93 53.402 -47.220 -81.017 1.00 43.22 H new ATOM 0 HB3 LYS A 93 53.097 -48.120 -79.544 1.00 43.22 H new ATOM 0 HG2 LYS A 93 51.414 -48.902 -81.866 1.00 11.35 H new ATOM 0 HG3 LYS A 93 53.129 -49.211 -82.051 1.00 11.35 H new ATOM 0 HD2 LYS A 93 53.088 -50.366 -79.789 1.00 25.53 H new ATOM 0 HD3 LYS A 93 51.345 -50.185 -79.787 1.00 25.53 H new ATOM 0 HE2 LYS A 93 51.329 -51.402 -82.042 1.00 25.12 H new ATOM 0 HE3 LYS A 93 53.026 -51.753 -81.778 1.00 25.12 H new ATOM 0 HZ1 LYS A 93 50.993 -53.294 -80.933 1.00 73.34 H new ATOM 0 HZ2 LYS A 93 52.553 -53.313 -80.262 1.00 73.34 H new ATOM 0 HZ3 LYS A 93 51.323 -52.402 -79.527 1.00 73.34 H new ATOM 1380 N ARG A 94 50.400 -48.267 -78.460 1.00 12.22 N ATOM 1381 CA ARG A 94 49.371 -49.104 -77.854 1.00 64.24 C ATOM 1382 C ARG A 94 48.074 -48.323 -77.670 1.00 35.22 C ATOM 1383 O ARG A 94 46.992 -48.807 -78.007 1.00 43.43 O ATOM 1384 CB ARG A 94 49.851 -49.643 -76.505 1.00 61.04 C ATOM 1385 CG ARG A 94 50.484 -51.022 -76.591 1.00 23.22 C ATOM 1386 CD ARG A 94 49.517 -52.108 -76.146 1.00 53.15 C ATOM 1387 NE ARG A 94 48.277 -52.086 -76.919 1.00 23.03 N ATOM 1388 CZ ARG A 94 47.449 -53.120 -77.008 1.00 35.33 C ATOM 1389 NH1 ARG A 94 47.725 -54.252 -76.375 1.00 64.23 N ATOM 1390 NH2 ARG A 94 46.340 -53.023 -77.730 1.00 73.30 N ATOM 0 H ARG A 94 51.198 -48.075 -77.855 1.00 12.22 H new ATOM 0 HA ARG A 94 49.178 -49.942 -78.524 1.00 64.24 H new ATOM 0 HB2 ARG A 94 50.574 -48.946 -76.081 1.00 61.04 H new ATOM 0 HB3 ARG A 94 49.006 -49.683 -75.818 1.00 61.04 H new ATOM 0 HG2 ARG A 94 50.802 -51.214 -77.616 1.00 23.22 H new ATOM 0 HG3 ARG A 94 51.378 -51.052 -75.969 1.00 23.22 H new ATOM 0 HD2 ARG A 94 49.993 -53.083 -76.252 1.00 53.15 H new ATOM 0 HD3 ARG A 94 49.287 -51.978 -75.088 1.00 53.15 H new ATOM 0 HE ARG A 94 48.034 -51.230 -77.417 1.00 23.03 H new ATOM 0 HH11 ARG A 94 48.576 -54.330 -75.818 1.00 64.23 H new ATOM 0 HH12 ARG A 94 47.087 -55.044 -76.445 1.00 64.23 H new ATOM 0 HH21 ARG A 94 46.123 -52.154 -78.217 1.00 73.30 H new ATOM 0 HH22 ARG A 94 45.704 -53.818 -77.798 1.00 73.30 H new ATOM 1404 N HIS A 95 48.188 -47.113 -77.131 1.00 64.33 N ATOM 1405 CA HIS A 95 47.024 -46.265 -76.902 1.00 22.03 C ATOM 1406 C HIS A 95 46.334 -45.921 -78.218 1.00 64.14 C ATOM 1407 O HIS A 95 45.113 -45.780 -78.271 1.00 1.43 O ATOM 1408 CB HIS A 95 47.436 -44.983 -76.178 1.00 0.30 C ATOM 1409 CG HIS A 95 47.738 -45.185 -74.725 1.00 61.51 C ATOM 1410 ND1 HIS A 95 47.084 -46.114 -73.943 1.00 11.42 N ATOM 1411 CD2 HIS A 95 48.632 -44.574 -73.913 1.00 61.41 C ATOM 1412 CE1 HIS A 95 47.561 -46.063 -72.712 1.00 21.40 C ATOM 1413 NE2 HIS A 95 48.502 -45.138 -72.667 1.00 42.35 N ATOM 0 H HIS A 95 49.075 -46.698 -76.845 1.00 64.33 H new ATOM 0 HA HIS A 95 46.321 -46.816 -76.278 1.00 22.03 H new ATOM 0 HB2 HIS A 95 48.315 -44.565 -76.669 1.00 0.30 H new ATOM 0 HB3 HIS A 95 46.637 -44.248 -76.276 1.00 0.30 H new ATOM 0 HD1 HIS A 95 46.347 -46.742 -74.265 1.00 11.42 H new ATOM 0 HD2 HIS A 95 49.319 -43.789 -74.192 1.00 61.41 H new ATOM 0 HE1 HIS A 95 47.236 -46.674 -71.883 1.00 21.40 H new ATOM 1421 N GLN A 96 47.126 -45.788 -79.278 1.00 55.40 N ATOM 1422 CA GLN A 96 46.590 -45.459 -80.594 1.00 1.42 C ATOM 1423 C GLN A 96 45.890 -46.664 -81.213 1.00 41.44 C ATOM 1424 O GLN A 96 44.910 -46.517 -81.945 1.00 60.11 O ATOM 1425 CB GLN A 96 47.710 -44.974 -81.517 1.00 14.03 C ATOM 1426 CG GLN A 96 47.257 -44.732 -82.947 1.00 74.05 C ATOM 1427 CD GLN A 96 47.832 -43.458 -83.534 1.00 55.20 C ATOM 1428 OE1 GLN A 96 47.094 -42.569 -83.961 1.00 33.13 O ATOM 1429 NE2 GLN A 96 49.156 -43.362 -83.558 1.00 53.33 N ATOM 0 H GLN A 96 48.139 -45.903 -79.251 1.00 55.40 H new ATOM 0 HA GLN A 96 45.858 -44.660 -80.472 1.00 1.42 H new ATOM 0 HB2 GLN A 96 48.126 -44.050 -81.115 1.00 14.03 H new ATOM 0 HB3 GLN A 96 48.513 -45.711 -81.519 1.00 14.03 H new ATOM 0 HG2 GLN A 96 47.553 -45.579 -83.566 1.00 74.05 H new ATOM 0 HG3 GLN A 96 46.169 -44.682 -82.976 1.00 74.05 H new ATOM 0 HE21 GLN A 96 49.729 -44.123 -83.193 1.00 53.33 H new ATOM 0 HE22 GLN A 96 49.600 -42.527 -83.941 1.00 53.33 H new ATOM 1438 N LEU A 97 46.399 -47.854 -80.917 1.00 30.23 N ATOM 1439 CA LEU A 97 45.823 -49.086 -81.445 1.00 13.10 C ATOM 1440 C LEU A 97 44.380 -49.255 -80.980 1.00 31.21 C ATOM 1441 O LEU A 97 43.475 -49.452 -81.792 1.00 20.24 O ATOM 1442 CB LEU A 97 46.656 -50.291 -81.007 1.00 25.21 C ATOM 1443 CG LEU A 97 47.936 -50.547 -81.804 1.00 21.41 C ATOM 1444 CD1 LEU A 97 48.812 -51.568 -81.094 1.00 11.13 C ATOM 1445 CD2 LEU A 97 47.602 -51.017 -83.212 1.00 41.24 C ATOM 0 H LEU A 97 47.210 -47.993 -80.314 1.00 30.23 H new ATOM 0 HA LEU A 97 45.830 -49.024 -82.533 1.00 13.10 H new ATOM 0 HB2 LEU A 97 46.924 -50.160 -79.959 1.00 25.21 H new ATOM 0 HB3 LEU A 97 46.030 -51.181 -81.067 1.00 25.21 H new ATOM 0 HG LEU A 97 48.490 -49.611 -81.876 1.00 21.41 H new ATOM 0 HD11 LEU A 97 49.718 -51.737 -81.676 1.00 11.13 H new ATOM 0 HD12 LEU A 97 49.080 -51.193 -80.106 1.00 11.13 H new ATOM 0 HD13 LEU A 97 48.267 -52.506 -80.991 1.00 11.13 H new ATOM 0 HD21 LEU A 97 48.525 -51.194 -83.765 1.00 41.24 H new ATOM 0 HD22 LEU A 97 47.027 -51.941 -83.160 1.00 41.24 H new ATOM 0 HD23 LEU A 97 47.015 -50.252 -83.721 1.00 41.24 H new ATOM 1457 N ILE A 98 44.173 -49.175 -79.670 1.00 33.21 N ATOM 1458 CA ILE A 98 42.839 -49.316 -79.098 1.00 25.21 C ATOM 1459 C ILE A 98 42.072 -48.000 -79.161 1.00 3.15 C ATOM 1460 O ILE A 98 40.842 -47.987 -79.192 1.00 35.53 O ATOM 1461 CB ILE A 98 42.902 -49.792 -77.634 1.00 43.43 C ATOM 1462 CG1 ILE A 98 43.707 -48.803 -76.788 1.00 61.02 C ATOM 1463 CG2 ILE A 98 43.512 -51.183 -77.555 1.00 74.52 C ATOM 1464 CD1 ILE A 98 43.745 -49.157 -75.318 1.00 12.20 C ATOM 0 H ILE A 98 44.911 -49.013 -78.985 1.00 33.21 H new ATOM 0 HA ILE A 98 42.318 -50.066 -79.693 1.00 25.21 H new ATOM 0 HB ILE A 98 41.887 -49.839 -77.239 1.00 43.43 H new ATOM 0 HG12 ILE A 98 44.727 -48.758 -77.169 1.00 61.02 H new ATOM 0 HG13 ILE A 98 43.279 -47.807 -76.903 1.00 61.02 H new ATOM 0 HG21 ILE A 98 43.550 -51.505 -76.514 1.00 74.52 H new ATOM 0 HG22 ILE A 98 42.902 -51.881 -78.129 1.00 74.52 H new ATOM 0 HG23 ILE A 98 44.522 -51.161 -77.965 1.00 74.52 H new ATOM 0 HD11 ILE A 98 44.332 -48.413 -74.780 1.00 12.20 H new ATOM 0 HD12 ILE A 98 42.730 -49.174 -74.921 1.00 12.20 H new ATOM 0 HD13 ILE A 98 44.200 -50.139 -75.192 1.00 12.20 H new ATOM 1476 N TYR A 99 42.807 -46.894 -79.180 1.00 44.45 N ATOM 1477 CA TYR A 99 42.196 -45.571 -79.239 1.00 65.01 C ATOM 1478 C TYR A 99 40.933 -45.516 -78.385 1.00 63.02 C ATOM 1479 O TYR A 99 39.918 -44.955 -78.794 1.00 74.43 O ATOM 1480 CB TYR A 99 41.864 -45.204 -80.686 1.00 54.41 C ATOM 1481 CG TYR A 99 41.048 -46.254 -81.405 1.00 61.24 C ATOM 1482 CD1 TYR A 99 41.666 -47.281 -82.108 1.00 50.03 C ATOM 1483 CD2 TYR A 99 39.659 -46.220 -81.381 1.00 61.30 C ATOM 1484 CE1 TYR A 99 40.925 -48.242 -82.767 1.00 74.34 C ATOM 1485 CE2 TYR A 99 38.910 -47.178 -82.036 1.00 73.31 C ATOM 1486 CZ TYR A 99 39.547 -48.187 -82.728 1.00 40.12 C ATOM 1487 OH TYR A 99 38.805 -49.144 -83.382 1.00 50.54 O ATOM 0 H TYR A 99 43.827 -46.887 -79.155 1.00 44.45 H new ATOM 0 HA TYR A 99 42.911 -44.850 -78.844 1.00 65.01 H new ATOM 0 HB2 TYR A 99 41.317 -44.261 -80.697 1.00 54.41 H new ATOM 0 HB3 TYR A 99 42.793 -45.040 -81.233 1.00 54.41 H new ATOM 0 HD1 TYR A 99 42.744 -47.328 -82.140 1.00 50.03 H new ATOM 0 HD2 TYR A 99 39.157 -45.431 -80.841 1.00 61.30 H new ATOM 0 HE1 TYR A 99 41.422 -49.032 -83.310 1.00 74.34 H new ATOM 0 HE2 TYR A 99 37.831 -47.137 -82.007 1.00 73.31 H new ATOM 0 HH TYR A 99 37.851 -48.961 -83.255 1.00 50.54 H new ATOM 1497 N GLY A 100 41.006 -46.103 -77.194 1.00 52.12 N ATOM 1498 CA GLY A 100 39.863 -46.110 -76.300 1.00 11.21 C ATOM 1499 C GLY A 100 39.685 -44.790 -75.576 1.00 50.23 C ATOM 1500 O GLY A 100 38.593 -44.476 -75.101 1.00 53.11 O ATOM 0 H GLY A 100 41.836 -46.573 -76.833 1.00 52.12 H new ATOM 0 HA2 GLY A 100 38.961 -46.333 -76.870 1.00 11.21 H new ATOM 0 HA3 GLY A 100 39.983 -46.909 -75.568 1.00 11.21 H new ATOM 1504 N LEU A 101 40.760 -44.015 -75.490 1.00 43.41 N ATOM 1505 CA LEU A 101 40.719 -42.721 -74.817 1.00 40.12 C ATOM 1506 C LEU A 101 39.812 -41.748 -75.564 1.00 3.43 C ATOM 1507 O LEU A 101 39.500 -41.950 -76.738 1.00 13.41 O ATOM 1508 CB LEU A 101 42.129 -42.138 -74.704 1.00 14.33 C ATOM 1509 CG LEU A 101 43.088 -42.877 -73.770 1.00 72.23 C ATOM 1510 CD1 LEU A 101 42.402 -43.208 -72.454 1.00 23.23 C ATOM 1511 CD2 LEU A 101 43.609 -44.143 -74.435 1.00 42.22 C ATOM 0 H LEU A 101 41.671 -44.260 -75.878 1.00 43.41 H new ATOM 0 HA LEU A 101 40.314 -42.872 -73.816 1.00 40.12 H new ATOM 0 HB2 LEU A 101 42.571 -42.113 -75.700 1.00 14.33 H new ATOM 0 HB3 LEU A 101 42.047 -41.105 -74.365 1.00 14.33 H new ATOM 0 HG LEU A 101 43.936 -42.225 -73.560 1.00 72.23 H new ATOM 0 HD11 LEU A 101 43.100 -43.734 -71.802 1.00 23.23 H new ATOM 0 HD12 LEU A 101 42.078 -42.286 -71.971 1.00 23.23 H new ATOM 0 HD13 LEU A 101 41.536 -43.842 -72.645 1.00 23.23 H new ATOM 0 HD21 LEU A 101 44.290 -44.657 -73.756 1.00 42.22 H new ATOM 0 HD22 LEU A 101 42.772 -44.799 -74.674 1.00 42.22 H new ATOM 0 HD23 LEU A 101 44.138 -43.881 -75.351 1.00 42.22 H new ATOM 1523 N LEU A 102 39.395 -40.691 -74.876 1.00 54.41 N ATOM 1524 CA LEU A 102 38.525 -39.683 -75.474 1.00 62.44 C ATOM 1525 C LEU A 102 37.309 -40.332 -76.127 1.00 61.45 C ATOM 1526 O LEU A 102 36.947 -40.000 -77.256 1.00 72.30 O ATOM 1527 CB LEU A 102 39.298 -38.864 -76.510 1.00 31.24 C ATOM 1528 CG LEU A 102 40.201 -37.762 -75.955 1.00 63.21 C ATOM 1529 CD1 LEU A 102 39.392 -36.771 -75.134 1.00 15.02 C ATOM 1530 CD2 LEU A 102 41.321 -38.362 -75.118 1.00 5.03 C ATOM 0 H LEU A 102 39.645 -40.509 -73.904 1.00 54.41 H new ATOM 0 HA LEU A 102 38.178 -39.021 -74.681 1.00 62.44 H new ATOM 0 HB2 LEU A 102 39.911 -39.546 -77.099 1.00 31.24 H new ATOM 0 HB3 LEU A 102 38.581 -38.409 -77.193 1.00 31.24 H new ATOM 0 HG LEU A 102 40.647 -37.228 -76.794 1.00 63.21 H new ATOM 0 HD11 LEU A 102 40.052 -35.994 -74.748 1.00 15.02 H new ATOM 0 HD12 LEU A 102 38.626 -36.317 -75.763 1.00 15.02 H new ATOM 0 HD13 LEU A 102 38.917 -37.290 -74.302 1.00 15.02 H new ATOM 0 HD21 LEU A 102 41.954 -37.563 -74.731 1.00 5.03 H new ATOM 0 HD22 LEU A 102 40.894 -38.922 -74.286 1.00 5.03 H new ATOM 0 HD23 LEU A 102 41.919 -39.031 -75.737 1.00 5.03 H new ATOM 1542 N SER A 103 36.682 -41.258 -75.409 1.00 75.21 N ATOM 1543 CA SER A 103 35.507 -41.955 -75.919 1.00 74.13 C ATOM 1544 C SER A 103 34.262 -41.577 -75.122 1.00 51.34 C ATOM 1545 O SER A 103 33.471 -40.734 -75.548 1.00 22.32 O ATOM 1546 CB SER A 103 35.721 -43.469 -75.863 1.00 41.24 C ATOM 1547 OG SER A 103 36.143 -43.877 -74.574 1.00 3.23 O ATOM 0 H SER A 103 36.968 -41.543 -74.472 1.00 75.21 H new ATOM 0 HA SER A 103 35.359 -41.654 -76.956 1.00 74.13 H new ATOM 0 HB2 SER A 103 34.795 -43.980 -76.124 1.00 41.24 H new ATOM 0 HB3 SER A 103 36.466 -43.762 -76.603 1.00 41.24 H new ATOM 0 HG SER A 103 37.122 -43.915 -74.547 1.00 3.23 H new ATOM 1553 N ASP A 104 34.095 -42.205 -73.964 1.00 61.52 N ATOM 1554 CA ASP A 104 32.948 -41.935 -73.106 1.00 34.23 C ATOM 1555 C ASP A 104 33.158 -40.655 -72.304 1.00 4.40 C ATOM 1556 O ASP A 104 32.199 -40.025 -71.860 1.00 2.31 O ATOM 1557 CB ASP A 104 32.705 -43.111 -72.158 1.00 15.20 C ATOM 1558 CG ASP A 104 31.406 -42.974 -71.387 1.00 62.12 C ATOM 1559 OD1 ASP A 104 31.428 -42.384 -70.287 1.00 4.52 O ATOM 1560 OD2 ASP A 104 30.368 -43.457 -71.885 1.00 12.04 O ATOM 0 H ASP A 104 34.740 -42.905 -73.598 1.00 61.52 H new ATOM 0 HA ASP A 104 32.073 -41.804 -73.742 1.00 34.23 H new ATOM 0 HB2 ASP A 104 32.688 -44.038 -72.731 1.00 15.20 H new ATOM 0 HB3 ASP A 104 33.535 -43.185 -71.455 1.00 15.20 H new ATOM 1565 N GLU A 105 34.420 -40.277 -72.122 1.00 41.14 N ATOM 1566 CA GLU A 105 34.756 -39.072 -71.372 1.00 73.42 C ATOM 1567 C GLU A 105 33.996 -37.865 -71.914 1.00 11.24 C ATOM 1568 O GLU A 105 33.538 -37.013 -71.152 1.00 34.12 O ATOM 1569 CB GLU A 105 36.262 -38.810 -71.433 1.00 30.21 C ATOM 1570 CG GLU A 105 36.617 -37.401 -71.876 1.00 41.04 C ATOM 1571 CD GLU A 105 38.114 -37.161 -71.915 1.00 31.22 C ATOM 1572 OE1 GLU A 105 38.870 -38.150 -72.016 1.00 20.12 O ATOM 1573 OE2 GLU A 105 38.529 -35.986 -71.844 1.00 1.24 O ATOM 0 H GLU A 105 35.226 -40.787 -72.483 1.00 41.14 H new ATOM 0 HA GLU A 105 34.464 -39.227 -70.334 1.00 73.42 H new ATOM 0 HB2 GLU A 105 36.694 -38.992 -70.449 1.00 30.21 H new ATOM 0 HB3 GLU A 105 36.719 -39.523 -72.119 1.00 30.21 H new ATOM 0 HG2 GLU A 105 36.198 -37.219 -72.866 1.00 41.04 H new ATOM 0 HG3 GLU A 105 36.155 -36.684 -71.197 1.00 41.04 H new ATOM 1580 N PHE A 106 33.867 -37.798 -73.235 1.00 0.04 N ATOM 1581 CA PHE A 106 33.165 -36.695 -73.879 1.00 54.43 C ATOM 1582 C PHE A 106 31.764 -36.527 -73.297 1.00 3.12 C ATOM 1583 O PHE A 106 31.327 -35.412 -73.013 1.00 15.33 O ATOM 1584 CB PHE A 106 33.077 -36.930 -75.388 1.00 74.55 C ATOM 1585 CG PHE A 106 32.474 -35.779 -76.141 1.00 43.41 C ATOM 1586 CD1 PHE A 106 33.075 -34.530 -76.120 1.00 31.13 C ATOM 1587 CD2 PHE A 106 31.308 -35.944 -76.870 1.00 70.45 C ATOM 1588 CE1 PHE A 106 32.522 -33.468 -76.811 1.00 22.52 C ATOM 1589 CE2 PHE A 106 30.751 -34.886 -77.564 1.00 32.51 C ATOM 1590 CZ PHE A 106 31.360 -33.647 -77.535 1.00 35.12 C ATOM 0 H PHE A 106 34.240 -38.495 -73.880 1.00 0.04 H new ATOM 0 HA PHE A 106 33.729 -35.781 -73.693 1.00 54.43 H new ATOM 0 HB2 PHE A 106 34.077 -37.123 -75.776 1.00 74.55 H new ATOM 0 HB3 PHE A 106 32.484 -37.826 -75.574 1.00 74.55 H new ATOM 0 HD1 PHE A 106 33.985 -34.385 -75.557 1.00 31.13 H new ATOM 0 HD2 PHE A 106 30.828 -36.911 -76.897 1.00 70.45 H new ATOM 0 HE1 PHE A 106 32.998 -32.499 -76.785 1.00 22.52 H new ATOM 0 HE2 PHE A 106 29.841 -35.028 -78.128 1.00 32.51 H new ATOM 0 HZ PHE A 106 30.928 -32.819 -78.078 1.00 35.12 H new ATOM 1600 N LYS A 107 31.065 -37.643 -73.122 1.00 23.31 N ATOM 1601 CA LYS A 107 29.715 -37.623 -72.573 1.00 14.21 C ATOM 1602 C LYS A 107 29.703 -37.004 -71.179 1.00 2.40 C ATOM 1603 O LYS A 107 28.662 -36.562 -70.694 1.00 52.15 O ATOM 1604 CB LYS A 107 29.143 -39.041 -72.517 1.00 61.42 C ATOM 1605 CG LYS A 107 27.864 -39.150 -71.706 1.00 32.23 C ATOM 1606 CD LYS A 107 26.883 -40.122 -72.339 1.00 75.04 C ATOM 1607 CE LYS A 107 26.558 -41.276 -71.403 1.00 62.35 C ATOM 1608 NZ LYS A 107 25.337 -41.008 -70.594 1.00 62.04 N ATOM 0 H LYS A 107 31.412 -38.574 -73.353 1.00 23.31 H new ATOM 0 HA LYS A 107 29.093 -37.013 -73.228 1.00 14.21 H new ATOM 0 HB2 LYS A 107 28.950 -39.386 -73.533 1.00 61.42 H new ATOM 0 HB3 LYS A 107 29.891 -39.709 -72.091 1.00 61.42 H new ATOM 0 HG2 LYS A 107 28.101 -39.478 -70.694 1.00 32.23 H new ATOM 0 HG3 LYS A 107 27.401 -38.167 -71.622 1.00 32.23 H new ATOM 0 HD2 LYS A 107 25.965 -39.595 -72.601 1.00 75.04 H new ATOM 0 HD3 LYS A 107 27.303 -40.512 -73.266 1.00 75.04 H new ATOM 0 HE2 LYS A 107 26.415 -42.186 -71.985 1.00 62.35 H new ATOM 0 HE3 LYS A 107 27.403 -41.453 -70.737 1.00 62.35 H new ATOM 0 HZ1 LYS A 107 25.150 -41.818 -69.969 1.00 62.04 H new ATOM 0 HZ2 LYS A 107 25.482 -40.154 -70.019 1.00 62.04 H new ATOM 0 HZ3 LYS A 107 24.525 -40.865 -71.228 1.00 62.04 H new ATOM 1622 N ALA A 108 30.868 -36.974 -70.540 1.00 42.21 N ATOM 1623 CA ALA A 108 30.992 -36.405 -69.204 1.00 21.44 C ATOM 1624 C ALA A 108 31.476 -34.961 -69.264 1.00 43.42 C ATOM 1625 O ALA A 108 30.842 -34.060 -68.716 1.00 44.24 O ATOM 1626 CB ALA A 108 31.938 -37.246 -68.358 1.00 54.13 C ATOM 0 H ALA A 108 31.739 -37.337 -70.926 1.00 42.21 H new ATOM 0 HA ALA A 108 30.005 -36.410 -68.741 1.00 21.44 H new ATOM 0 HB1 ALA A 108 32.021 -36.810 -67.363 1.00 54.13 H new ATOM 0 HB2 ALA A 108 31.549 -38.261 -68.278 1.00 54.13 H new ATOM 0 HB3 ALA A 108 32.922 -37.270 -68.827 1.00 54.13 H new ATOM 1632 N GLY A 109 32.605 -34.747 -69.934 1.00 10.00 N ATOM 1633 CA GLY A 109 33.155 -33.409 -70.053 1.00 22.33 C ATOM 1634 C GLY A 109 34.390 -33.212 -69.196 1.00 33.04 C ATOM 1635 O GLY A 109 34.783 -32.080 -68.911 1.00 52.22 O ATOM 0 H GLY A 109 33.148 -35.476 -70.396 1.00 10.00 H new ATOM 0 HA2 GLY A 109 33.405 -33.214 -71.096 1.00 22.33 H new ATOM 0 HA3 GLY A 109 32.397 -32.681 -69.765 1.00 22.33 H new ATOM 1639 N LEU A 110 35.002 -34.315 -68.781 1.00 24.31 N ATOM 1640 CA LEU A 110 36.199 -34.259 -67.949 1.00 5.00 C ATOM 1641 C LEU A 110 37.373 -34.950 -68.636 1.00 31.42 C ATOM 1642 O LEU A 110 37.208 -35.992 -69.272 1.00 14.21 O ATOM 1643 CB LEU A 110 35.932 -34.911 -66.591 1.00 61.14 C ATOM 1644 CG LEU A 110 34.586 -34.584 -65.943 1.00 63.22 C ATOM 1645 CD1 LEU A 110 34.263 -33.107 -66.100 1.00 41.52 C ATOM 1646 CD2 LEU A 110 33.482 -35.441 -66.546 1.00 1.42 C ATOM 0 H LEU A 110 34.689 -35.259 -69.007 1.00 24.31 H new ATOM 0 HA LEU A 110 36.457 -33.211 -67.797 1.00 5.00 H new ATOM 0 HB2 LEU A 110 36.003 -35.992 -66.709 1.00 61.14 H new ATOM 0 HB3 LEU A 110 36.725 -34.613 -65.905 1.00 61.14 H new ATOM 0 HG LEU A 110 34.652 -34.809 -64.878 1.00 63.22 H new ATOM 0 HD11 LEU A 110 33.302 -32.893 -65.633 1.00 41.52 H new ATOM 0 HD12 LEU A 110 35.040 -32.512 -65.620 1.00 41.52 H new ATOM 0 HD13 LEU A 110 34.215 -32.856 -67.160 1.00 41.52 H new ATOM 0 HD21 LEU A 110 32.531 -35.195 -66.073 1.00 1.42 H new ATOM 0 HD22 LEU A 110 33.415 -35.248 -67.617 1.00 1.42 H new ATOM 0 HD23 LEU A 110 33.708 -36.494 -66.381 1.00 1.42 H new ATOM 1658 N HIS A 111 38.559 -34.365 -68.501 1.00 70.51 N ATOM 1659 CA HIS A 111 39.761 -34.927 -69.106 1.00 64.05 C ATOM 1660 C HIS A 111 39.945 -36.386 -68.698 1.00 51.42 C ATOM 1661 O HIS A 111 39.172 -36.920 -67.904 1.00 13.44 O ATOM 1662 CB HIS A 111 40.990 -34.113 -68.700 1.00 63.11 C ATOM 1663 CG HIS A 111 41.575 -33.311 -69.822 1.00 24.43 C ATOM 1664 ND1 HIS A 111 42.908 -33.367 -70.171 1.00 61.24 N ATOM 1665 CD2 HIS A 111 41.001 -32.432 -70.675 1.00 75.35 C ATOM 1666 CE1 HIS A 111 43.128 -32.556 -71.191 1.00 10.15 C ATOM 1667 NE2 HIS A 111 41.986 -31.977 -71.516 1.00 3.21 N ATOM 0 H HIS A 111 38.713 -33.503 -67.978 1.00 70.51 H new ATOM 0 HA HIS A 111 39.647 -34.883 -70.189 1.00 64.05 H new ATOM 0 HB2 HIS A 111 40.717 -33.440 -67.887 1.00 63.11 H new ATOM 0 HB3 HIS A 111 41.752 -34.789 -68.312 1.00 63.11 H new ATOM 0 HD2 HIS A 111 39.961 -32.142 -70.691 1.00 75.35 H new ATOM 0 HE1 HIS A 111 44.079 -32.394 -71.676 1.00 10.15 H new ATOM 0 HE2 HIS A 111 41.857 -31.302 -72.269 1.00 3.21 H new ATOM 1675 N ALA A 112 40.973 -37.024 -69.248 1.00 33.12 N ATOM 1676 CA ALA A 112 41.258 -38.420 -68.940 1.00 0.13 C ATOM 1677 C ALA A 112 42.738 -38.733 -69.133 1.00 73.53 C ATOM 1678 O ALA A 112 43.457 -37.994 -69.806 1.00 52.25 O ATOM 1679 CB ALA A 112 40.405 -39.336 -69.804 1.00 71.33 C ATOM 0 H ALA A 112 41.622 -36.597 -69.909 1.00 33.12 H new ATOM 0 HA ALA A 112 41.010 -38.594 -67.893 1.00 0.13 H new ATOM 0 HB1 ALA A 112 40.628 -40.375 -69.563 1.00 71.33 H new ATOM 0 HB2 ALA A 112 39.350 -39.138 -69.613 1.00 71.33 H new ATOM 0 HB3 ALA A 112 40.624 -39.152 -70.856 1.00 71.33 H new ATOM 1685 N LEU A 113 43.187 -39.833 -68.539 1.00 62.20 N ATOM 1686 CA LEU A 113 44.583 -40.245 -68.646 1.00 12.44 C ATOM 1687 C LEU A 113 44.693 -41.651 -69.227 1.00 2.44 C ATOM 1688 O LEU A 113 43.792 -42.472 -69.065 1.00 33.44 O ATOM 1689 CB LEU A 113 45.256 -40.193 -67.273 1.00 63.31 C ATOM 1690 CG LEU A 113 44.409 -40.667 -66.092 1.00 22.04 C ATOM 1691 CD1 LEU A 113 45.221 -41.579 -65.184 1.00 52.25 C ATOM 1692 CD2 LEU A 113 43.870 -39.477 -65.311 1.00 22.32 C ATOM 0 H LEU A 113 42.605 -40.456 -67.978 1.00 62.20 H new ATOM 0 HA LEU A 113 45.090 -39.554 -69.319 1.00 12.44 H new ATOM 0 HB2 LEU A 113 46.161 -40.799 -67.311 1.00 63.31 H new ATOM 0 HB3 LEU A 113 45.567 -39.166 -67.082 1.00 63.31 H new ATOM 0 HG LEU A 113 43.564 -41.235 -66.481 1.00 22.04 H new ATOM 0 HD11 LEU A 113 44.602 -41.906 -64.349 1.00 52.25 H new ATOM 0 HD12 LEU A 113 45.558 -42.448 -65.749 1.00 52.25 H new ATOM 0 HD13 LEU A 113 46.086 -41.036 -64.803 1.00 52.25 H new ATOM 0 HD21 LEU A 113 43.269 -39.833 -64.474 1.00 22.32 H new ATOM 0 HD22 LEU A 113 44.702 -38.882 -64.934 1.00 22.32 H new ATOM 0 HD23 LEU A 113 43.252 -38.862 -65.965 1.00 22.32 H new ATOM 1704 N ALA A 114 45.805 -41.920 -69.902 1.00 64.43 N ATOM 1705 CA ALA A 114 46.036 -43.228 -70.504 1.00 33.15 C ATOM 1706 C ALA A 114 47.457 -43.713 -70.236 1.00 15.21 C ATOM 1707 O ALA A 114 48.414 -42.948 -70.344 1.00 41.54 O ATOM 1708 CB ALA A 114 45.767 -43.175 -72.000 1.00 61.52 C ATOM 0 H ALA A 114 46.560 -41.250 -70.046 1.00 64.43 H new ATOM 0 HA ALA A 114 45.346 -43.938 -70.047 1.00 33.15 H new ATOM 0 HB1 ALA A 114 45.943 -44.158 -72.436 1.00 61.52 H new ATOM 0 HB2 ALA A 114 44.732 -42.881 -72.173 1.00 61.52 H new ATOM 0 HB3 ALA A 114 46.433 -42.447 -72.464 1.00 61.52 H new ATOM 1714 N MET A 115 47.585 -44.988 -69.885 1.00 64.20 N ATOM 1715 CA MET A 115 48.890 -45.574 -69.602 1.00 64.43 C ATOM 1716 C MET A 115 48.962 -47.012 -70.108 1.00 13.21 C ATOM 1717 O MET A 115 48.205 -47.876 -69.664 1.00 11.13 O ATOM 1718 CB MET A 115 49.176 -45.535 -68.100 1.00 23.21 C ATOM 1719 CG MET A 115 48.558 -44.339 -67.395 1.00 11.13 C ATOM 1720 SD MET A 115 49.382 -43.947 -65.839 1.00 72.34 S ATOM 1721 CE MET A 115 50.194 -42.408 -66.265 1.00 31.54 C ATOM 0 H MET A 115 46.802 -45.635 -69.790 1.00 64.20 H new ATOM 0 HA MET A 115 49.645 -44.986 -70.124 1.00 64.43 H new ATOM 0 HB2 MET A 115 48.800 -46.450 -67.643 1.00 23.21 H new ATOM 0 HB3 MET A 115 50.255 -45.521 -67.944 1.00 23.21 H new ATOM 0 HG2 MET A 115 48.602 -43.471 -68.053 1.00 11.13 H new ATOM 0 HG3 MET A 115 47.504 -44.540 -67.203 1.00 11.13 H new ATOM 0 HE1 MET A 115 50.747 -42.038 -65.402 1.00 31.54 H new ATOM 0 HE2 MET A 115 50.883 -42.577 -67.093 1.00 31.54 H new ATOM 0 HE3 MET A 115 49.446 -41.672 -66.560 1.00 31.54 H new ATOM 1731 N THR A 116 49.876 -47.262 -71.040 1.00 60.01 N ATOM 1732 CA THR A 116 50.045 -48.594 -71.607 1.00 71.00 C ATOM 1733 C THR A 116 51.498 -49.047 -71.524 1.00 42.54 C ATOM 1734 O THR A 116 52.396 -48.389 -72.052 1.00 53.31 O ATOM 1735 CB THR A 116 49.587 -48.641 -73.077 1.00 62.10 C ATOM 1736 OG1 THR A 116 49.827 -49.943 -73.623 1.00 44.34 O ATOM 1737 CG2 THR A 116 50.318 -47.595 -73.905 1.00 62.11 C ATOM 0 H THR A 116 50.511 -46.559 -71.418 1.00 60.01 H new ATOM 0 HA THR A 116 49.423 -49.269 -71.019 1.00 71.00 H new ATOM 0 HB THR A 116 48.519 -48.425 -73.109 1.00 62.10 H new ATOM 0 HG1 THR A 116 50.740 -49.986 -73.977 1.00 44.34 H new ATOM 0 HG21 THR A 116 49.978 -47.647 -74.939 1.00 62.11 H new ATOM 0 HG22 THR A 116 50.110 -46.603 -73.504 1.00 62.11 H new ATOM 0 HG23 THR A 116 51.391 -47.784 -73.866 1.00 62.11 H new ATOM 1745 N THR A 117 51.725 -50.175 -70.859 1.00 41.01 N ATOM 1746 CA THR A 117 53.070 -50.715 -70.707 1.00 70.40 C ATOM 1747 C THR A 117 53.171 -52.114 -71.305 1.00 44.12 C ATOM 1748 O THR A 117 52.616 -53.072 -70.768 1.00 73.30 O ATOM 1749 CB THR A 117 53.489 -50.771 -69.226 1.00 32.42 C ATOM 1750 OG1 THR A 117 54.641 -51.608 -69.074 1.00 33.34 O ATOM 1751 CG2 THR A 117 52.354 -51.300 -68.362 1.00 73.21 C ATOM 0 H THR A 117 50.994 -50.733 -70.417 1.00 41.01 H new ATOM 0 HA THR A 117 53.742 -50.044 -71.242 1.00 70.40 H new ATOM 0 HB THR A 117 53.730 -49.759 -68.901 1.00 32.42 H new ATOM 0 HG1 THR A 117 54.902 -51.637 -68.130 1.00 33.34 H new ATOM 0 HG21 THR A 117 52.673 -51.331 -67.320 1.00 73.21 H new ATOM 0 HG22 THR A 117 51.488 -50.644 -68.457 1.00 73.21 H new ATOM 0 HG23 THR A 117 52.086 -52.305 -68.689 1.00 73.21 H new ATOM 1759 N LYS A 118 53.885 -52.225 -72.420 1.00 42.03 N ATOM 1760 CA LYS A 118 54.062 -53.507 -73.092 1.00 20.23 C ATOM 1761 C LYS A 118 55.519 -53.716 -73.490 1.00 64.15 C ATOM 1762 O LYS A 118 56.194 -52.784 -73.929 1.00 3.23 O ATOM 1763 CB LYS A 118 53.167 -53.585 -74.331 1.00 30.25 C ATOM 1764 CG LYS A 118 53.310 -54.885 -75.103 1.00 42.15 C ATOM 1765 CD LYS A 118 53.979 -54.662 -76.449 1.00 63.44 C ATOM 1766 CE LYS A 118 52.967 -54.283 -77.519 1.00 51.32 C ATOM 1767 NZ LYS A 118 51.967 -55.363 -77.745 1.00 41.01 N ATOM 0 H LYS A 118 54.351 -51.442 -72.878 1.00 42.03 H new ATOM 0 HA LYS A 118 53.777 -54.296 -72.396 1.00 20.23 H new ATOM 0 HB2 LYS A 118 52.127 -53.466 -74.026 1.00 30.25 H new ATOM 0 HB3 LYS A 118 53.403 -52.751 -74.992 1.00 30.25 H new ATOM 0 HG2 LYS A 118 53.895 -55.595 -74.518 1.00 42.15 H new ATOM 0 HG3 LYS A 118 52.327 -55.330 -75.254 1.00 42.15 H new ATOM 0 HD2 LYS A 118 54.727 -53.874 -76.359 1.00 63.44 H new ATOM 0 HD3 LYS A 118 54.505 -55.568 -76.749 1.00 63.44 H new ATOM 0 HE2 LYS A 118 52.453 -53.368 -77.225 1.00 51.32 H new ATOM 0 HE3 LYS A 118 53.488 -54.070 -78.452 1.00 51.32 H new ATOM 0 HZ1 LYS A 118 51.619 -55.314 -78.724 1.00 41.01 H new ATOM 0 HZ2 LYS A 118 52.413 -56.288 -77.582 1.00 41.01 H new ATOM 0 HZ3 LYS A 118 51.170 -55.242 -77.088 1.00 41.01 H new ATOM 1781 N THR A 119 56.000 -54.946 -73.337 1.00 72.33 N ATOM 1782 CA THR A 119 57.377 -55.278 -73.682 1.00 14.44 C ATOM 1783 C THR A 119 57.709 -54.839 -75.103 1.00 54.23 C ATOM 1784 O THR A 119 56.827 -54.634 -75.937 1.00 74.15 O ATOM 1785 CB THR A 119 57.641 -56.789 -73.548 1.00 60.21 C ATOM 1786 OG1 THR A 119 56.462 -57.525 -73.891 1.00 75.03 O ATOM 1787 CG2 THR A 119 58.070 -57.140 -72.131 1.00 73.44 C ATOM 0 H THR A 119 55.456 -55.729 -72.976 1.00 72.33 H new ATOM 0 HA THR A 119 58.016 -54.742 -72.981 1.00 14.44 H new ATOM 0 HB THR A 119 58.447 -57.056 -74.231 1.00 60.21 H new ATOM 0 HG1 THR A 119 55.924 -57.675 -73.086 1.00 75.03 H new ATOM 0 HG21 THR A 119 58.251 -58.213 -72.061 1.00 73.44 H new ATOM 0 HG22 THR A 119 58.984 -56.601 -71.884 1.00 73.44 H new ATOM 0 HG23 THR A 119 57.282 -56.858 -71.432 1.00 73.44 H new