USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=17 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 32:sc= -0.323 USER MOD Set 1.2: A 83 SER OG : rot -77:sc= -0.792 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -128:sc= 0.594 USER MOD Single : A 39 LYS NZ :NH3+ 168:sc= 0.435 (180deg=0.369) USER MOD Single : A 45 SER OG : rot 180:sc= -0.292 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN :FLIP amide:sc= -0.476 F(o=-1.7,f=-0.48) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 THR OG1 : rot -30:sc= -0.102 USER MOD Single : A 76 HIS : no HD1:sc= -0.958 K(o=-0.96,f=-1.5) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -136:sc= -0.92 (180deg=-1.7) USER MOD Single : A 90 THR OG1 : rot 150:sc= -3.58! USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HIS : no HD1:sc= -0.63 K(o=-0.63,f=-1.1) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= -0.557 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) USER MOD Single : A 115 MET CE :methyl -121:sc=-0.00648 (180deg=-0.0498) USER MOD Single : A 116 THR OG1 : rot 130:sc= -0.359 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot -49:sc= -1.21! USER MOD ----------------------------------------------------------------- ATOM 471 N ALA A 33 31.608 -41.125 -73.296 1.00 23.20 N ATOM 472 CA ALA A 33 32.043 -42.035 -74.349 1.00 12.22 C ATOM 473 C ALA A 33 31.620 -43.468 -74.045 1.00 23.21 C ATOM 474 O ALA A 33 31.451 -43.843 -72.885 1.00 60.25 O ATOM 475 CB ALA A 33 33.552 -41.954 -74.527 1.00 13.24 C ATOM 0 HA ALA A 33 31.562 -41.732 -75.279 1.00 12.22 H new ATOM 0 HB1 ALA A 33 33.863 -42.639 -75.316 1.00 13.24 H new ATOM 0 HB2 ALA A 33 33.832 -40.936 -74.798 1.00 13.24 H new ATOM 0 HB3 ALA A 33 34.044 -42.229 -73.594 1.00 13.24 H new ATOM 481 N GLY A 34 31.451 -44.266 -75.095 1.00 54.22 N ATOM 482 CA GLY A 34 31.048 -45.649 -74.919 1.00 2.11 C ATOM 483 C GLY A 34 31.940 -46.393 -73.945 1.00 1.42 C ATOM 484 O GLY A 34 31.463 -47.203 -73.151 1.00 64.42 O ATOM 0 H GLY A 34 31.586 -43.979 -76.065 1.00 54.22 H new ATOM 0 HA2 GLY A 34 30.019 -45.682 -74.562 1.00 2.11 H new ATOM 0 HA3 GLY A 34 31.067 -46.155 -75.884 1.00 2.11 H new ATOM 488 N ALA A 35 33.239 -46.118 -74.006 1.00 11.43 N ATOM 489 CA ALA A 35 34.199 -46.766 -73.122 1.00 24.42 C ATOM 490 C ALA A 35 33.892 -46.462 -71.659 1.00 64.15 C ATOM 491 O ALA A 35 34.229 -47.243 -70.769 1.00 64.43 O ATOM 492 CB ALA A 35 35.615 -46.329 -73.468 1.00 52.52 C ATOM 0 H ALA A 35 33.650 -45.451 -74.659 1.00 11.43 H new ATOM 0 HA ALA A 35 34.118 -47.843 -73.267 1.00 24.42 H new ATOM 0 HB1 ALA A 35 36.321 -46.821 -72.799 1.00 52.52 H new ATOM 0 HB2 ALA A 35 35.839 -46.604 -74.499 1.00 52.52 H new ATOM 0 HB3 ALA A 35 35.700 -45.248 -73.354 1.00 52.52 H new ATOM 498 N ILE A 36 33.252 -45.323 -71.419 1.00 4.22 N ATOM 499 CA ILE A 36 32.900 -44.916 -70.064 1.00 62.50 C ATOM 500 C ILE A 36 32.164 -46.032 -69.329 1.00 45.13 C ATOM 501 O ILE A 36 32.274 -46.165 -68.110 1.00 71.43 O ATOM 502 CB ILE A 36 32.021 -43.652 -70.066 1.00 44.31 C ATOM 503 CG1 ILE A 36 32.246 -42.846 -68.785 1.00 30.11 C ATOM 504 CG2 ILE A 36 30.554 -44.027 -70.212 1.00 42.53 C ATOM 505 CD1 ILE A 36 32.613 -41.400 -69.037 1.00 24.53 C ATOM 0 H ILE A 36 32.967 -44.666 -72.145 1.00 4.22 H new ATOM 0 HA ILE A 36 33.835 -44.698 -69.547 1.00 62.50 H new ATOM 0 HB ILE A 36 32.303 -43.032 -70.917 1.00 44.31 H new ATOM 0 HG12 ILE A 36 31.341 -42.882 -68.179 1.00 30.11 H new ATOM 0 HG13 ILE A 36 33.038 -43.317 -68.203 1.00 30.11 H new ATOM 0 HG21 ILE A 36 29.946 -43.123 -70.212 1.00 42.53 H new ATOM 0 HG22 ILE A 36 30.407 -44.563 -71.150 1.00 42.53 H new ATOM 0 HG23 ILE A 36 30.257 -44.665 -69.379 1.00 42.53 H new ATOM 0 HD11 ILE A 36 32.757 -40.890 -68.085 1.00 24.53 H new ATOM 0 HD12 ILE A 36 33.535 -41.354 -69.617 1.00 24.53 H new ATOM 0 HD13 ILE A 36 31.811 -40.912 -69.592 1.00 24.53 H new ATOM 517 N LYS A 37 31.415 -46.833 -70.079 1.00 63.03 N ATOM 518 CA LYS A 37 30.663 -47.940 -69.501 1.00 71.24 C ATOM 519 C LYS A 37 31.599 -48.953 -68.851 1.00 23.44 C ATOM 520 O LYS A 37 31.315 -49.471 -67.771 1.00 31.23 O ATOM 521 CB LYS A 37 29.819 -48.627 -70.578 1.00 24.44 C ATOM 522 CG LYS A 37 28.331 -48.630 -70.274 1.00 41.14 C ATOM 523 CD LYS A 37 27.952 -49.774 -69.349 1.00 65.10 C ATOM 524 CE LYS A 37 27.365 -50.945 -70.122 1.00 13.11 C ATOM 525 NZ LYS A 37 27.575 -52.238 -69.414 1.00 71.23 N ATOM 0 H LYS A 37 31.313 -46.736 -71.089 1.00 63.03 H new ATOM 0 HA LYS A 37 30.003 -47.537 -68.733 1.00 71.24 H new ATOM 0 HB2 LYS A 37 29.985 -48.127 -71.532 1.00 24.44 H new ATOM 0 HB3 LYS A 37 30.160 -49.656 -70.694 1.00 24.44 H new ATOM 0 HG2 LYS A 37 28.051 -47.682 -69.815 1.00 41.14 H new ATOM 0 HG3 LYS A 37 27.769 -48.712 -71.204 1.00 41.14 H new ATOM 0 HD2 LYS A 37 28.833 -50.105 -68.798 1.00 65.10 H new ATOM 0 HD3 LYS A 37 27.229 -49.424 -68.613 1.00 65.10 H new ATOM 0 HE2 LYS A 37 26.298 -50.782 -70.272 1.00 13.11 H new ATOM 0 HE3 LYS A 37 27.822 -50.994 -71.110 1.00 13.11 H new ATOM 0 HZ1 LYS A 37 27.161 -53.011 -69.973 1.00 71.23 H new ATOM 0 HZ2 LYS A 37 28.594 -52.406 -69.293 1.00 71.23 H new ATOM 0 HZ3 LYS A 37 27.117 -52.201 -68.481 1.00 71.23 H new ATOM 539 N SER A 38 32.717 -49.230 -69.514 1.00 63.40 N ATOM 540 CA SER A 38 33.694 -50.183 -69.001 1.00 24.42 C ATOM 541 C SER A 38 34.294 -49.692 -67.687 1.00 33.35 C ATOM 542 O SER A 38 34.447 -50.459 -66.735 1.00 44.15 O ATOM 543 CB SER A 38 34.805 -50.410 -70.028 1.00 4.01 C ATOM 544 OG SER A 38 34.315 -51.095 -71.167 1.00 73.22 O ATOM 0 H SER A 38 32.969 -48.808 -70.408 1.00 63.40 H new ATOM 0 HA SER A 38 33.181 -51.127 -68.816 1.00 24.42 H new ATOM 0 HB2 SER A 38 35.227 -49.451 -70.330 1.00 4.01 H new ATOM 0 HB3 SER A 38 35.612 -50.984 -69.574 1.00 4.01 H new ATOM 0 HG SER A 38 34.880 -51.875 -71.348 1.00 73.22 H new ATOM 550 N LYS A 39 34.631 -48.408 -67.641 1.00 10.02 N ATOM 551 CA LYS A 39 35.213 -47.811 -66.444 1.00 74.23 C ATOM 552 C LYS A 39 34.237 -47.877 -65.274 1.00 34.31 C ATOM 553 O LYS A 39 34.633 -48.124 -64.135 1.00 24.11 O ATOM 554 CB LYS A 39 35.605 -46.357 -66.714 1.00 14.32 C ATOM 555 CG LYS A 39 34.926 -45.362 -65.787 1.00 63.34 C ATOM 556 CD LYS A 39 35.388 -43.941 -66.061 1.00 0.21 C ATOM 557 CE LYS A 39 34.494 -42.922 -65.371 1.00 1.12 C ATOM 558 NZ LYS A 39 34.791 -42.819 -63.915 1.00 60.22 N ATOM 0 H LYS A 39 34.511 -47.760 -68.419 1.00 10.02 H new ATOM 0 HA LYS A 39 36.106 -48.379 -66.182 1.00 74.23 H new ATOM 0 HB2 LYS A 39 36.686 -46.256 -66.613 1.00 14.32 H new ATOM 0 HB3 LYS A 39 35.356 -46.108 -67.746 1.00 14.32 H new ATOM 0 HG2 LYS A 39 33.845 -45.425 -65.913 1.00 63.34 H new ATOM 0 HG3 LYS A 39 35.142 -45.623 -64.751 1.00 63.34 H new ATOM 0 HD2 LYS A 39 36.415 -43.818 -65.717 1.00 0.21 H new ATOM 0 HD3 LYS A 39 35.388 -43.758 -67.136 1.00 0.21 H new ATOM 0 HE2 LYS A 39 34.627 -41.946 -65.839 1.00 1.12 H new ATOM 0 HE3 LYS A 39 33.450 -43.202 -65.510 1.00 1.12 H new ATOM 0 HZ1 LYS A 39 34.313 -41.983 -63.521 1.00 60.22 H new ATOM 0 HZ2 LYS A 39 34.450 -43.673 -63.430 1.00 60.22 H new ATOM 0 HZ3 LYS A 39 35.818 -42.728 -63.776 1.00 60.22 H new ATOM 572 N VAL A 40 32.958 -47.657 -65.562 1.00 51.43 N ATOM 573 CA VAL A 40 31.925 -47.694 -64.534 1.00 51.21 C ATOM 574 C VAL A 40 31.890 -49.050 -63.838 1.00 45.14 C ATOM 575 O VAL A 40 31.647 -49.135 -62.635 1.00 51.33 O ATOM 576 CB VAL A 40 30.534 -47.397 -65.125 1.00 52.10 C ATOM 577 CG1 VAL A 40 29.442 -47.761 -64.130 1.00 41.33 C ATOM 578 CG2 VAL A 40 30.430 -45.935 -65.533 1.00 14.05 C ATOM 0 H VAL A 40 32.613 -47.451 -66.499 1.00 51.43 H new ATOM 0 HA VAL A 40 32.175 -46.922 -63.807 1.00 51.21 H new ATOM 0 HB VAL A 40 30.398 -48.010 -66.016 1.00 52.10 H new ATOM 0 HG11 VAL A 40 28.466 -47.544 -64.565 1.00 41.33 H new ATOM 0 HG12 VAL A 40 29.506 -48.823 -63.892 1.00 41.33 H new ATOM 0 HG13 VAL A 40 29.571 -47.177 -63.219 1.00 41.33 H new ATOM 0 HG21 VAL A 40 29.441 -45.743 -65.949 1.00 14.05 H new ATOM 0 HG22 VAL A 40 30.586 -45.302 -64.660 1.00 14.05 H new ATOM 0 HG23 VAL A 40 31.188 -45.712 -66.283 1.00 14.05 H new ATOM 588 N GLU A 41 32.137 -50.108 -64.604 1.00 74.33 N ATOM 589 CA GLU A 41 32.133 -51.461 -64.060 1.00 63.24 C ATOM 590 C GLU A 41 33.140 -51.592 -62.921 1.00 15.14 C ATOM 591 O GLU A 41 32.915 -52.330 -61.962 1.00 14.54 O ATOM 592 CB GLU A 41 32.455 -52.477 -65.159 1.00 4.04 C ATOM 593 CG GLU A 41 31.663 -52.263 -66.437 1.00 51.32 C ATOM 594 CD GLU A 41 30.205 -51.941 -66.173 1.00 11.41 C ATOM 595 OE1 GLU A 41 29.879 -50.744 -66.029 1.00 42.51 O ATOM 596 OE2 GLU A 41 29.390 -52.885 -66.110 1.00 2.33 O ATOM 0 H GLU A 41 32.342 -50.055 -65.602 1.00 74.33 H new ATOM 0 HA GLU A 41 31.137 -51.664 -63.667 1.00 63.24 H new ATOM 0 HB2 GLU A 41 33.519 -52.426 -65.388 1.00 4.04 H new ATOM 0 HB3 GLU A 41 32.258 -53.481 -64.783 1.00 4.04 H new ATOM 0 HG2 GLU A 41 32.113 -51.450 -67.007 1.00 51.32 H new ATOM 0 HG3 GLU A 41 31.727 -53.159 -67.054 1.00 51.32 H new ATOM 603 N ALA A 42 34.250 -50.871 -63.034 1.00 10.41 N ATOM 604 CA ALA A 42 35.290 -50.904 -62.013 1.00 61.13 C ATOM 605 C ALA A 42 35.082 -49.802 -60.981 1.00 12.44 C ATOM 606 O ALA A 42 35.625 -49.860 -59.878 1.00 63.22 O ATOM 607 CB ALA A 42 36.664 -50.776 -62.655 1.00 54.02 C ATOM 0 H ALA A 42 34.453 -50.257 -63.823 1.00 10.41 H new ATOM 0 HA ALA A 42 35.229 -51.863 -61.499 1.00 61.13 H new ATOM 0 HB1 ALA A 42 37.431 -50.802 -61.881 1.00 54.02 H new ATOM 0 HB2 ALA A 42 36.820 -51.602 -63.349 1.00 54.02 H new ATOM 0 HB3 ALA A 42 36.726 -49.832 -63.196 1.00 54.02 H new ATOM 613 N ALA A 43 34.292 -48.797 -61.346 1.00 30.04 N ATOM 614 CA ALA A 43 34.011 -47.682 -60.450 1.00 2.11 C ATOM 615 C ALA A 43 33.393 -48.169 -59.144 1.00 14.00 C ATOM 616 O ALA A 43 33.608 -47.578 -58.085 1.00 35.02 O ATOM 617 CB ALA A 43 33.092 -46.678 -61.129 1.00 52.24 C ATOM 0 H ALA A 43 33.836 -48.732 -62.256 1.00 30.04 H new ATOM 0 HA ALA A 43 34.955 -47.192 -60.214 1.00 2.11 H new ATOM 0 HB1 ALA A 43 32.891 -45.851 -60.448 1.00 52.24 H new ATOM 0 HB2 ALA A 43 33.572 -46.297 -62.031 1.00 52.24 H new ATOM 0 HB3 ALA A 43 32.154 -47.165 -61.395 1.00 52.24 H new ATOM 623 N LEU A 44 32.623 -49.249 -59.226 1.00 4.11 N ATOM 624 CA LEU A 44 31.972 -49.816 -58.050 1.00 5.43 C ATOM 625 C LEU A 44 33.003 -50.240 -57.008 1.00 61.14 C ATOM 626 O LEU A 44 32.698 -50.329 -55.819 1.00 61.42 O ATOM 627 CB LEU A 44 31.109 -51.014 -58.448 1.00 24.11 C ATOM 628 CG LEU A 44 30.027 -50.744 -59.494 1.00 23.01 C ATOM 629 CD1 LEU A 44 29.270 -52.022 -59.821 1.00 2.21 C ATOM 630 CD2 LEU A 44 29.071 -49.665 -59.006 1.00 21.52 C ATOM 0 H LEU A 44 32.434 -49.749 -60.095 1.00 4.11 H new ATOM 0 HA LEU A 44 31.335 -49.048 -57.612 1.00 5.43 H new ATOM 0 HB2 LEU A 44 31.764 -51.799 -58.826 1.00 24.11 H new ATOM 0 HB3 LEU A 44 30.629 -51.405 -57.551 1.00 24.11 H new ATOM 0 HG LEU A 44 30.509 -50.389 -60.405 1.00 23.01 H new ATOM 0 HD11 LEU A 44 28.504 -51.810 -60.567 1.00 2.21 H new ATOM 0 HD12 LEU A 44 29.964 -52.765 -60.214 1.00 2.21 H new ATOM 0 HD13 LEU A 44 28.799 -52.407 -58.917 1.00 2.21 H new ATOM 0 HD21 LEU A 44 28.308 -49.486 -59.763 1.00 21.52 H new ATOM 0 HD22 LEU A 44 28.595 -49.991 -58.081 1.00 21.52 H new ATOM 0 HD23 LEU A 44 29.624 -48.744 -58.824 1.00 21.52 H new ATOM 642 N SER A 45 34.225 -50.499 -57.464 1.00 12.33 N ATOM 643 CA SER A 45 35.301 -50.915 -56.572 1.00 34.22 C ATOM 644 C SER A 45 36.155 -49.722 -56.157 1.00 45.52 C ATOM 645 O SER A 45 36.085 -48.641 -56.743 1.00 74.13 O ATOM 646 CB SER A 45 36.175 -51.971 -57.251 1.00 35.41 C ATOM 647 OG SER A 45 36.019 -53.237 -56.632 1.00 53.14 O ATOM 0 H SER A 45 34.494 -50.428 -58.445 1.00 12.33 H new ATOM 0 HA SER A 45 34.852 -51.346 -55.677 1.00 34.22 H new ATOM 0 HB2 SER A 45 35.910 -52.043 -58.306 1.00 35.41 H new ATOM 0 HB3 SER A 45 37.221 -51.667 -57.205 1.00 35.41 H new ATOM 0 HG SER A 45 36.587 -53.895 -57.085 1.00 53.14 H new ATOM 653 N PRO A 46 36.984 -49.920 -55.121 1.00 40.42 N ATOM 654 CA PRO A 46 37.869 -48.872 -54.604 1.00 45.02 C ATOM 655 C PRO A 46 39.000 -48.539 -55.571 1.00 64.34 C ATOM 656 O PRO A 46 40.144 -48.949 -55.371 1.00 23.21 O ATOM 657 CB PRO A 46 38.429 -49.484 -53.317 1.00 50.43 C ATOM 658 CG PRO A 46 38.343 -50.956 -53.529 1.00 41.31 C ATOM 659 CD PRO A 46 37.121 -51.182 -54.375 1.00 53.21 C ATOM 0 HA PRO A 46 37.340 -47.931 -54.450 1.00 45.02 H new ATOM 0 HB2 PRO A 46 39.458 -49.168 -53.144 1.00 50.43 H new ATOM 0 HB3 PRO A 46 37.850 -49.175 -52.447 1.00 50.43 H new ATOM 0 HG2 PRO A 46 39.237 -51.331 -54.027 1.00 41.31 H new ATOM 0 HG3 PRO A 46 38.262 -51.483 -52.578 1.00 41.31 H new ATOM 0 HD2 PRO A 46 37.248 -52.033 -55.045 1.00 53.21 H new ATOM 0 HD3 PRO A 46 36.241 -51.385 -53.764 1.00 53.21 H new ATOM 667 N THR A 47 38.674 -47.793 -56.622 1.00 42.21 N ATOM 668 CA THR A 47 39.662 -47.406 -57.621 1.00 3.41 C ATOM 669 C THR A 47 39.243 -46.131 -58.344 1.00 1.44 C ATOM 670 O THR A 47 38.166 -45.589 -58.093 1.00 50.43 O ATOM 671 CB THR A 47 39.879 -48.523 -58.659 1.00 4.21 C ATOM 672 OG1 THR A 47 40.964 -48.180 -59.528 1.00 41.44 O ATOM 673 CG2 THR A 47 38.619 -48.752 -59.479 1.00 33.33 C ATOM 0 H THR A 47 37.733 -47.445 -56.803 1.00 42.21 H new ATOM 0 HA THR A 47 40.596 -47.228 -57.088 1.00 3.41 H new ATOM 0 HB THR A 47 40.118 -49.443 -58.125 1.00 4.21 H new ATOM 0 HG1 THR A 47 41.627 -47.656 -59.032 1.00 41.44 H new ATOM 0 HG21 THR A 47 38.797 -49.545 -60.205 1.00 33.33 H new ATOM 0 HG22 THR A 47 37.802 -49.042 -58.818 1.00 33.33 H new ATOM 0 HG23 THR A 47 38.354 -47.834 -60.003 1.00 33.33 H new ATOM 681 N HIS A 48 40.100 -45.656 -59.242 1.00 2.10 N ATOM 682 CA HIS A 48 39.817 -44.444 -60.003 1.00 3.03 C ATOM 683 C HIS A 48 40.014 -44.682 -61.497 1.00 20.12 C ATOM 684 O HIS A 48 41.081 -45.117 -61.931 1.00 51.54 O ATOM 685 CB HIS A 48 40.717 -43.300 -59.534 1.00 24.52 C ATOM 686 CG HIS A 48 40.615 -42.071 -60.383 1.00 10.23 C ATOM 687 ND1 HIS A 48 39.417 -41.587 -60.866 1.00 23.34 N ATOM 688 CD2 HIS A 48 41.570 -41.224 -60.833 1.00 51.12 C ATOM 689 CE1 HIS A 48 39.640 -40.497 -61.578 1.00 22.32 C ATOM 690 NE2 HIS A 48 40.939 -40.255 -61.573 1.00 55.15 N ATOM 0 H HIS A 48 40.996 -46.092 -59.461 1.00 2.10 H new ATOM 0 HA HIS A 48 38.776 -44.171 -59.831 1.00 3.03 H new ATOM 0 HB2 HIS A 48 40.459 -43.044 -58.506 1.00 24.52 H new ATOM 0 HB3 HIS A 48 41.752 -43.642 -59.527 1.00 24.52 H new ATOM 0 HD2 HIS A 48 42.631 -41.297 -60.645 1.00 51.12 H new ATOM 0 HE1 HIS A 48 38.889 -39.905 -62.079 1.00 22.32 H new ATOM 0 HE2 HIS A 48 41.398 -39.475 -62.043 1.00 55.15 H new ATOM 698 N PHE A 49 38.978 -44.395 -62.278 1.00 60.42 N ATOM 699 CA PHE A 49 39.036 -44.580 -63.724 1.00 24.15 C ATOM 700 C PHE A 49 38.796 -43.260 -64.451 1.00 22.24 C ATOM 701 O PHE A 49 37.807 -42.571 -64.201 1.00 75.51 O ATOM 702 CB PHE A 49 38.002 -45.616 -64.169 1.00 23.12 C ATOM 703 CG PHE A 49 38.481 -47.034 -64.040 1.00 74.12 C ATOM 704 CD1 PHE A 49 38.939 -47.517 -62.825 1.00 72.22 C ATOM 705 CD2 PHE A 49 38.473 -47.884 -65.135 1.00 13.23 C ATOM 706 CE1 PHE A 49 39.379 -48.822 -62.703 1.00 43.43 C ATOM 707 CE2 PHE A 49 38.912 -49.189 -65.019 1.00 35.22 C ATOM 708 CZ PHE A 49 39.367 -49.658 -63.802 1.00 34.31 C ATOM 0 H PHE A 49 38.088 -44.033 -61.934 1.00 60.42 H new ATOM 0 HA PHE A 49 40.033 -44.939 -63.980 1.00 24.15 H new ATOM 0 HB2 PHE A 49 37.096 -45.491 -63.576 1.00 23.12 H new ATOM 0 HB3 PHE A 49 37.732 -45.425 -65.208 1.00 23.12 H new ATOM 0 HD1 PHE A 49 38.952 -46.866 -61.963 1.00 72.22 H new ATOM 0 HD2 PHE A 49 38.120 -47.522 -66.089 1.00 13.23 H new ATOM 0 HE1 PHE A 49 39.732 -49.187 -61.750 1.00 43.43 H new ATOM 0 HE2 PHE A 49 38.899 -49.842 -65.879 1.00 35.22 H new ATOM 0 HZ PHE A 49 39.713 -50.677 -63.710 1.00 34.31 H new ATOM 718 N LYS A 50 39.709 -42.913 -65.351 1.00 63.12 N ATOM 719 CA LYS A 50 39.599 -41.677 -66.116 1.00 52.23 C ATOM 720 C LYS A 50 39.722 -41.950 -67.612 1.00 0.20 C ATOM 721 O LYS A 50 40.768 -42.393 -68.089 1.00 0.55 O ATOM 722 CB LYS A 50 40.677 -40.683 -65.678 1.00 21.31 C ATOM 723 CG LYS A 50 40.773 -39.457 -66.569 1.00 70.21 C ATOM 724 CD LYS A 50 42.096 -39.412 -67.315 1.00 72.33 C ATOM 725 CE LYS A 50 43.051 -38.403 -66.697 1.00 13.31 C ATOM 726 NZ LYS A 50 44.466 -38.679 -67.068 1.00 3.42 N ATOM 0 H LYS A 50 40.535 -43.471 -65.569 1.00 63.12 H new ATOM 0 HA LYS A 50 38.617 -41.246 -65.922 1.00 52.23 H new ATOM 0 HB2 LYS A 50 40.471 -40.364 -64.656 1.00 21.31 H new ATOM 0 HB3 LYS A 50 41.642 -41.189 -65.666 1.00 21.31 H new ATOM 0 HG2 LYS A 50 39.951 -39.461 -67.285 1.00 70.21 H new ATOM 0 HG3 LYS A 50 40.665 -38.557 -65.964 1.00 70.21 H new ATOM 0 HD2 LYS A 50 42.554 -40.401 -67.305 1.00 72.33 H new ATOM 0 HD3 LYS A 50 41.918 -39.154 -68.359 1.00 72.33 H new ATOM 0 HE2 LYS A 50 42.779 -37.399 -67.023 1.00 13.31 H new ATOM 0 HE3 LYS A 50 42.949 -38.424 -65.612 1.00 13.31 H new ATOM 0 HZ1 LYS A 50 45.085 -37.969 -66.627 1.00 3.42 H new ATOM 0 HZ2 LYS A 50 44.734 -39.627 -66.735 1.00 3.42 H new ATOM 0 HZ3 LYS A 50 44.569 -38.634 -68.102 1.00 3.42 H new ATOM 740 N LEU A 51 38.649 -41.682 -68.348 1.00 0.11 N ATOM 741 CA LEU A 51 38.638 -41.897 -69.791 1.00 34.23 C ATOM 742 C LEU A 51 38.402 -40.587 -70.535 1.00 4.30 C ATOM 743 O LEU A 51 37.500 -39.821 -70.194 1.00 71.41 O ATOM 744 CB LEU A 51 37.556 -42.911 -70.166 1.00 71.53 C ATOM 745 CG LEU A 51 37.260 -43.056 -71.660 1.00 5.44 C ATOM 746 CD1 LEU A 51 37.748 -44.402 -72.173 1.00 1.42 C ATOM 747 CD2 LEU A 51 35.772 -42.888 -71.927 1.00 72.23 C ATOM 0 H LEU A 51 37.776 -41.316 -67.970 1.00 0.11 H new ATOM 0 HA LEU A 51 39.612 -42.289 -70.083 1.00 34.23 H new ATOM 0 HB2 LEU A 51 37.850 -43.886 -69.778 1.00 71.53 H new ATOM 0 HB3 LEU A 51 36.633 -42.631 -69.659 1.00 71.53 H new ATOM 0 HG LEU A 51 37.795 -42.272 -72.195 1.00 5.44 H new ATOM 0 HD11 LEU A 51 37.529 -44.487 -73.237 1.00 1.42 H new ATOM 0 HD12 LEU A 51 38.824 -44.483 -72.017 1.00 1.42 H new ATOM 0 HD13 LEU A 51 37.242 -45.202 -71.633 1.00 1.42 H new ATOM 0 HD21 LEU A 51 35.580 -42.994 -72.995 1.00 72.23 H new ATOM 0 HD22 LEU A 51 35.216 -43.650 -71.381 1.00 72.23 H new ATOM 0 HD23 LEU A 51 35.453 -41.899 -71.597 1.00 72.23 H new ATOM 759 N ILE A 52 39.218 -40.336 -71.553 1.00 42.03 N ATOM 760 CA ILE A 52 39.096 -39.120 -72.348 1.00 4.14 C ATOM 761 C ILE A 52 38.954 -39.444 -73.831 1.00 23.01 C ATOM 762 O ILE A 52 39.873 -39.979 -74.450 1.00 75.42 O ATOM 763 CB ILE A 52 40.311 -38.194 -72.150 1.00 24.30 C ATOM 764 CG1 ILE A 52 41.607 -38.941 -72.475 1.00 51.21 C ATOM 765 CG2 ILE A 52 40.344 -37.660 -70.726 1.00 25.52 C ATOM 766 CD1 ILE A 52 42.307 -38.425 -73.713 1.00 3.34 C ATOM 0 H ILE A 52 39.971 -40.958 -71.847 1.00 42.03 H new ATOM 0 HA ILE A 52 38.198 -38.607 -72.004 1.00 4.14 H new ATOM 0 HB ILE A 52 40.220 -37.349 -72.832 1.00 24.30 H new ATOM 0 HG12 ILE A 52 42.285 -38.863 -71.625 1.00 51.21 H new ATOM 0 HG13 ILE A 52 41.383 -39.999 -72.608 1.00 51.21 H new ATOM 0 HG21 ILE A 52 41.208 -37.007 -70.602 1.00 25.52 H new ATOM 0 HG22 ILE A 52 39.432 -37.096 -70.528 1.00 25.52 H new ATOM 0 HG23 ILE A 52 40.415 -38.493 -70.027 1.00 25.52 H new ATOM 0 HD11 ILE A 52 43.217 -39.000 -73.883 1.00 3.34 H new ATOM 0 HD12 ILE A 52 41.647 -38.528 -74.574 1.00 3.34 H new ATOM 0 HD13 ILE A 52 42.562 -37.374 -73.575 1.00 3.34 H new ATOM 778 N ASN A 53 37.797 -39.114 -74.395 1.00 10.11 N ATOM 779 CA ASN A 53 37.535 -39.369 -75.807 1.00 14.33 C ATOM 780 C ASN A 53 37.481 -38.063 -76.594 1.00 74.12 C ATOM 781 O ASN A 53 36.718 -37.156 -76.260 1.00 70.05 O ATOM 782 CB ASN A 53 36.219 -40.132 -75.973 1.00 22.33 C ATOM 783 CG ASN A 53 35.137 -39.287 -76.616 1.00 42.15 C ATOM 784 OD1 ASN A 53 35.145 -39.227 -77.943 1.00 73.30 O flip ATOM 785 ND2 ASN A 53 34.305 -38.695 -75.929 1.00 54.21 N flip ATOM 0 H ASN A 53 37.026 -38.670 -73.896 1.00 10.11 H new ATOM 0 HA ASN A 53 38.351 -39.976 -76.199 1.00 14.33 H new ATOM 0 HB2 ASN A 53 36.392 -41.020 -76.581 1.00 22.33 H new ATOM 0 HB3 ASN A 53 35.876 -40.475 -74.997 1.00 22.33 H new ATOM 0 HD21 ASN A 53 34.337 -38.770 -74.912 1.00 54.21 H new ATOM 0 HD22 ASN A 53 33.583 -38.130 -76.376 1.00 54.21 H new ATOM 792 N ASP A 54 38.294 -37.976 -77.641 1.00 2.14 N ATOM 793 CA ASP A 54 38.338 -36.782 -78.477 1.00 64.34 C ATOM 794 C ASP A 54 38.072 -37.133 -79.938 1.00 42.41 C ATOM 795 O ASP A 54 38.790 -36.688 -80.834 1.00 54.31 O ATOM 796 CB ASP A 54 39.696 -36.091 -78.345 1.00 41.31 C ATOM 797 CG ASP A 54 39.566 -34.597 -78.119 1.00 75.33 C ATOM 798 OD1 ASP A 54 38.853 -33.938 -78.905 1.00 73.11 O ATOM 799 OD2 ASP A 54 40.175 -34.088 -77.156 1.00 44.33 O ATOM 0 H ASP A 54 38.931 -38.718 -77.931 1.00 2.14 H new ATOM 0 HA ASP A 54 37.558 -36.101 -78.137 1.00 64.34 H new ATOM 0 HB2 ASP A 54 40.247 -36.534 -77.516 1.00 41.31 H new ATOM 0 HB3 ASP A 54 40.281 -36.270 -79.248 1.00 41.31 H new ATOM 804 N SER A 55 37.037 -37.933 -80.170 1.00 61.42 N ATOM 805 CA SER A 55 36.679 -38.348 -81.522 1.00 1.32 C ATOM 806 C SER A 55 36.682 -37.156 -82.474 1.00 41.40 C ATOM 807 O SER A 55 36.213 -36.070 -82.130 1.00 71.20 O ATOM 808 CB SER A 55 35.302 -39.015 -81.526 1.00 2.54 C ATOM 809 OG SER A 55 35.174 -39.914 -82.613 1.00 42.13 O ATOM 0 H SER A 55 36.431 -38.307 -79.440 1.00 61.42 H new ATOM 0 HA SER A 55 37.424 -39.067 -81.864 1.00 1.32 H new ATOM 0 HB2 SER A 55 35.151 -39.550 -80.588 1.00 2.54 H new ATOM 0 HB3 SER A 55 34.525 -38.253 -81.587 1.00 2.54 H new ATOM 0 HG SER A 55 34.286 -40.328 -82.592 1.00 42.13 H new ATOM 815 N HIS A 56 37.215 -37.366 -83.674 1.00 15.13 N ATOM 816 CA HIS A 56 37.279 -36.310 -84.677 1.00 52.44 C ATOM 817 C HIS A 56 36.906 -36.847 -86.056 1.00 13.50 C ATOM 818 O HIS A 56 37.450 -37.853 -86.510 1.00 43.14 O ATOM 819 CB HIS A 56 38.680 -35.699 -84.717 1.00 61.31 C ATOM 820 CG HIS A 56 38.871 -34.710 -85.825 1.00 3.41 C ATOM 821 ND1 HIS A 56 38.179 -33.519 -85.898 1.00 61.45 N ATOM 822 CD2 HIS A 56 39.684 -34.738 -86.907 1.00 2.12 C ATOM 823 CE1 HIS A 56 38.557 -32.859 -86.979 1.00 35.13 C ATOM 824 NE2 HIS A 56 39.470 -33.577 -87.608 1.00 14.21 N ATOM 0 H HIS A 56 37.608 -38.258 -83.975 1.00 15.13 H new ATOM 0 HA HIS A 56 36.562 -35.537 -84.401 1.00 52.44 H new ATOM 0 HB2 HIS A 56 38.881 -35.208 -83.765 1.00 61.31 H new ATOM 0 HB3 HIS A 56 39.413 -36.498 -84.824 1.00 61.31 H new ATOM 0 HD2 HIS A 56 40.373 -35.527 -87.170 1.00 2.12 H new ATOM 0 HE1 HIS A 56 38.183 -31.896 -87.294 1.00 35.13 H new ATOM 0 HE2 HIS A 56 39.940 -33.312 -88.474 1.00 14.21 H new ATOM 1069 N THR A 75 46.397 -40.137 -81.685 1.00 74.22 N ATOM 1070 CA THR A 75 45.461 -40.760 -80.758 1.00 34.31 C ATOM 1071 C THR A 75 44.621 -39.712 -80.037 1.00 73.11 C ATOM 1072 O THR A 75 45.137 -38.687 -79.592 1.00 5.21 O ATOM 1073 CB THR A 75 46.195 -41.621 -79.713 1.00 34.25 C ATOM 1074 OG1 THR A 75 46.954 -40.783 -78.834 1.00 33.32 O ATOM 1075 CG2 THR A 75 47.118 -42.624 -80.389 1.00 14.43 C ATOM 0 HA THR A 75 44.808 -41.400 -81.351 1.00 34.31 H new ATOM 0 HB THR A 75 45.449 -42.169 -79.138 1.00 34.25 H new ATOM 0 HG1 THR A 75 47.238 -39.977 -79.314 1.00 33.32 H new ATOM 0 HG21 THR A 75 47.625 -43.220 -79.631 1.00 14.43 H new ATOM 0 HG22 THR A 75 46.533 -43.279 -81.035 1.00 14.43 H new ATOM 0 HG23 THR A 75 47.858 -42.092 -80.987 1.00 14.43 H new ATOM 1083 N HIS A 76 43.323 -39.976 -79.925 1.00 13.54 N ATOM 1084 CA HIS A 76 42.411 -39.054 -79.256 1.00 32.32 C ATOM 1085 C HIS A 76 41.686 -39.747 -78.106 1.00 15.11 C ATOM 1086 O HIS A 76 40.998 -39.102 -77.314 1.00 10.10 O ATOM 1087 CB HIS A 76 41.395 -38.496 -80.252 1.00 54.24 C ATOM 1088 CG HIS A 76 41.922 -37.359 -81.072 1.00 43.30 C ATOM 1089 ND1 HIS A 76 43.154 -36.780 -80.851 1.00 42.13 N ATOM 1090 CD2 HIS A 76 41.378 -36.694 -82.118 1.00 62.33 C ATOM 1091 CE1 HIS A 76 43.344 -35.808 -81.725 1.00 43.51 C ATOM 1092 NE2 HIS A 76 42.281 -35.735 -82.506 1.00 24.32 N ATOM 0 H HIS A 76 42.879 -40.820 -80.288 1.00 13.54 H new ATOM 0 HA HIS A 76 42.999 -38.231 -78.849 1.00 32.32 H new ATOM 0 HB2 HIS A 76 41.075 -39.297 -80.919 1.00 54.24 H new ATOM 0 HB3 HIS A 76 40.511 -38.162 -79.708 1.00 54.24 H new ATOM 0 HD2 HIS A 76 40.413 -36.883 -82.565 1.00 62.33 H new ATOM 0 HE1 HIS A 76 44.220 -35.179 -81.790 1.00 43.51 H new ATOM 0 HE2 HIS A 76 42.152 -35.074 -83.272 1.00 24.32 H new ATOM 1100 N PHE A 77 41.843 -41.064 -78.021 1.00 1.41 N ATOM 1101 CA PHE A 77 41.202 -41.844 -76.969 1.00 51.00 C ATOM 1102 C PHE A 77 42.238 -42.405 -75.999 1.00 41.43 C ATOM 1103 O PHE A 77 43.276 -42.922 -76.414 1.00 13.35 O ATOM 1104 CB PHE A 77 40.386 -42.986 -77.578 1.00 31.34 C ATOM 1105 CG PHE A 77 39.159 -42.523 -78.310 1.00 43.20 C ATOM 1106 CD1 PHE A 77 39.267 -41.687 -79.410 1.00 63.41 C ATOM 1107 CD2 PHE A 77 37.898 -42.922 -77.898 1.00 20.10 C ATOM 1108 CE1 PHE A 77 38.141 -41.259 -80.087 1.00 34.34 C ATOM 1109 CE2 PHE A 77 36.768 -42.498 -78.571 1.00 12.42 C ATOM 1110 CZ PHE A 77 36.889 -41.664 -79.666 1.00 21.24 C ATOM 0 H PHE A 77 42.409 -41.613 -78.668 1.00 1.41 H new ATOM 0 HA PHE A 77 40.534 -41.183 -76.417 1.00 51.00 H new ATOM 0 HB2 PHE A 77 41.019 -43.548 -78.265 1.00 31.34 H new ATOM 0 HB3 PHE A 77 40.089 -43.672 -76.785 1.00 31.34 H new ATOM 0 HD1 PHE A 77 40.243 -41.366 -79.742 1.00 63.41 H new ATOM 0 HD2 PHE A 77 37.797 -43.572 -77.041 1.00 20.10 H new ATOM 0 HE1 PHE A 77 38.239 -40.609 -80.944 1.00 34.34 H new ATOM 0 HE2 PHE A 77 35.791 -42.818 -78.241 1.00 12.42 H new ATOM 0 HZ PHE A 77 36.007 -41.329 -80.192 1.00 21.24 H new ATOM 1120 N ARG A 78 41.949 -42.297 -74.707 1.00 32.34 N ATOM 1121 CA ARG A 78 42.855 -42.791 -73.677 1.00 64.43 C ATOM 1122 C ARG A 78 42.080 -43.261 -72.450 1.00 2.44 C ATOM 1123 O ARG A 78 41.129 -42.609 -72.016 1.00 4.42 O ATOM 1124 CB ARG A 78 43.851 -41.701 -73.279 1.00 4.24 C ATOM 1125 CG ARG A 78 44.126 -41.643 -71.785 1.00 32.12 C ATOM 1126 CD ARG A 78 45.501 -41.064 -71.493 1.00 24.10 C ATOM 1127 NE ARG A 78 45.860 -40.005 -72.432 1.00 53.41 N ATOM 1128 CZ ARG A 78 45.467 -38.742 -72.301 1.00 24.44 C ATOM 1129 NH1 ARG A 78 44.709 -38.384 -71.274 1.00 74.01 N ATOM 1130 NH2 ARG A 78 45.835 -37.835 -73.197 1.00 33.42 N ATOM 0 H ARG A 78 41.094 -41.872 -74.348 1.00 32.34 H new ATOM 0 HA ARG A 78 43.401 -43.641 -74.086 1.00 64.43 H new ATOM 0 HB2 ARG A 78 44.790 -41.869 -73.806 1.00 4.24 H new ATOM 0 HB3 ARG A 78 43.469 -40.734 -73.607 1.00 4.24 H new ATOM 0 HG2 ARG A 78 43.363 -41.036 -71.297 1.00 32.12 H new ATOM 0 HG3 ARG A 78 44.055 -42.645 -71.362 1.00 32.12 H new ATOM 0 HD2 ARG A 78 45.520 -40.669 -70.477 1.00 24.10 H new ATOM 0 HD3 ARG A 78 46.246 -41.858 -71.540 1.00 24.10 H new ATOM 0 HE ARG A 78 46.444 -40.248 -73.232 1.00 53.41 H new ATOM 0 HH11 ARG A 78 44.426 -39.078 -70.582 1.00 74.01 H new ATOM 0 HH12 ARG A 78 44.409 -37.414 -71.175 1.00 74.01 H new ATOM 0 HH21 ARG A 78 46.420 -38.107 -73.987 1.00 33.42 H new ATOM 0 HH22 ARG A 78 45.533 -36.866 -73.096 1.00 33.42 H new ATOM 1144 N LEU A 79 42.492 -44.395 -71.894 1.00 51.04 N ATOM 1145 CA LEU A 79 41.836 -44.952 -70.717 1.00 22.55 C ATOM 1146 C LEU A 79 42.843 -45.196 -69.597 1.00 11.02 C ATOM 1147 O LEU A 79 43.769 -45.992 -69.745 1.00 62.21 O ATOM 1148 CB LEU A 79 41.128 -46.260 -71.074 1.00 75.10 C ATOM 1149 CG LEU A 79 39.871 -46.586 -70.265 1.00 45.21 C ATOM 1150 CD1 LEU A 79 39.418 -48.012 -70.535 1.00 33.02 C ATOM 1151 CD2 LEU A 79 40.125 -46.377 -68.779 1.00 51.32 C ATOM 0 H LEU A 79 43.277 -44.947 -72.240 1.00 51.04 H new ATOM 0 HA LEU A 79 41.098 -44.230 -70.367 1.00 22.55 H new ATOM 0 HB2 LEU A 79 40.858 -46.227 -72.130 1.00 75.10 H new ATOM 0 HB3 LEU A 79 41.837 -47.079 -70.952 1.00 75.10 H new ATOM 0 HG LEU A 79 39.075 -45.909 -70.576 1.00 45.21 H new ATOM 0 HD11 LEU A 79 38.523 -48.226 -69.951 1.00 33.02 H new ATOM 0 HD12 LEU A 79 39.196 -48.129 -71.596 1.00 33.02 H new ATOM 0 HD13 LEU A 79 40.210 -48.705 -70.252 1.00 33.02 H new ATOM 0 HD21 LEU A 79 39.221 -46.613 -68.219 1.00 51.32 H new ATOM 0 HD22 LEU A 79 40.935 -47.030 -68.453 1.00 51.32 H new ATOM 0 HD23 LEU A 79 40.402 -45.338 -68.600 1.00 51.32 H new ATOM 1163 N GLU A 80 42.653 -44.506 -68.476 1.00 73.24 N ATOM 1164 CA GLU A 80 43.544 -44.649 -67.331 1.00 61.43 C ATOM 1165 C GLU A 80 42.783 -45.154 -66.109 1.00 14.21 C ATOM 1166 O GLU A 80 41.644 -44.755 -65.865 1.00 33.21 O ATOM 1167 CB GLU A 80 44.218 -43.313 -67.011 1.00 35.31 C ATOM 1168 CG GLU A 80 45.577 -43.144 -67.669 1.00 13.45 C ATOM 1169 CD GLU A 80 46.509 -42.262 -66.861 1.00 44.11 C ATOM 1170 OE1 GLU A 80 46.433 -42.301 -65.615 1.00 43.44 O ATOM 1171 OE2 GLU A 80 47.316 -41.533 -67.476 1.00 61.00 O ATOM 0 H GLU A 80 41.890 -43.843 -68.337 1.00 73.24 H new ATOM 0 HA GLU A 80 44.310 -45.381 -67.588 1.00 61.43 H new ATOM 0 HB2 GLU A 80 43.565 -42.501 -67.331 1.00 35.31 H new ATOM 0 HB3 GLU A 80 44.333 -43.223 -65.931 1.00 35.31 H new ATOM 0 HG2 GLU A 80 46.036 -44.124 -67.804 1.00 13.45 H new ATOM 0 HG3 GLU A 80 45.445 -42.714 -68.662 1.00 13.45 H new ATOM 1178 N VAL A 81 43.420 -46.034 -65.344 1.00 22.14 N ATOM 1179 CA VAL A 81 42.804 -46.593 -64.146 1.00 65.41 C ATOM 1180 C VAL A 81 43.838 -46.808 -63.046 1.00 13.42 C ATOM 1181 O VAL A 81 44.867 -47.450 -63.260 1.00 55.43 O ATOM 1182 CB VAL A 81 42.106 -47.933 -64.447 1.00 43.14 C ATOM 1183 CG1 VAL A 81 42.453 -48.413 -65.848 1.00 43.24 C ATOM 1184 CG2 VAL A 81 42.486 -48.977 -63.408 1.00 41.30 C ATOM 0 H VAL A 81 44.363 -46.376 -65.532 1.00 22.14 H new ATOM 0 HA VAL A 81 42.060 -45.872 -63.807 1.00 65.41 H new ATOM 0 HB VAL A 81 41.028 -47.780 -64.398 1.00 43.14 H new ATOM 0 HG11 VAL A 81 41.951 -49.361 -66.043 1.00 43.24 H new ATOM 0 HG12 VAL A 81 42.126 -47.672 -66.578 1.00 43.24 H new ATOM 0 HG13 VAL A 81 43.531 -48.550 -65.929 1.00 43.24 H new ATOM 0 HG21 VAL A 81 41.984 -49.917 -63.636 1.00 41.30 H new ATOM 0 HG22 VAL A 81 43.565 -49.129 -63.423 1.00 41.30 H new ATOM 0 HG23 VAL A 81 42.182 -48.634 -62.419 1.00 41.30 H new ATOM 1194 N THR A 82 43.557 -46.266 -61.865 1.00 3.35 N ATOM 1195 CA THR A 82 44.462 -46.396 -60.730 1.00 22.55 C ATOM 1196 C THR A 82 43.772 -47.074 -59.551 1.00 52.42 C ATOM 1197 O THR A 82 42.844 -46.520 -58.961 1.00 4.20 O ATOM 1198 CB THR A 82 44.998 -45.025 -60.277 1.00 53.11 C ATOM 1199 OG1 THR A 82 45.532 -44.313 -61.399 1.00 22.31 O ATOM 1200 CG2 THR A 82 46.074 -45.188 -59.214 1.00 54.10 C ATOM 0 H THR A 82 42.710 -45.733 -61.670 1.00 3.35 H new ATOM 0 HA THR A 82 45.298 -47.012 -61.062 1.00 22.55 H new ATOM 0 HB THR A 82 44.170 -44.460 -59.849 1.00 53.11 H new ATOM 0 HG1 THR A 82 45.869 -43.442 -61.103 1.00 22.31 H new ATOM 0 HG21 THR A 82 46.437 -44.206 -58.910 1.00 54.10 H new ATOM 0 HG22 THR A 82 45.656 -45.704 -58.350 1.00 54.10 H new ATOM 0 HG23 THR A 82 46.901 -45.771 -59.620 1.00 54.10 H new ATOM 1208 N SER A 83 44.230 -48.275 -59.213 1.00 43.50 N ATOM 1209 CA SER A 83 43.654 -49.029 -58.106 1.00 42.11 C ATOM 1210 C SER A 83 44.725 -49.397 -57.084 1.00 2.02 C ATOM 1211 O SER A 83 45.530 -50.300 -57.310 1.00 23.52 O ATOM 1212 CB SER A 83 42.972 -50.296 -58.625 1.00 53.12 C ATOM 1213 OG SER A 83 43.202 -50.467 -60.013 1.00 23.52 O ATOM 0 H SER A 83 44.998 -48.747 -59.690 1.00 43.50 H new ATOM 0 HA SER A 83 42.911 -48.399 -57.617 1.00 42.11 H new ATOM 0 HB2 SER A 83 43.347 -51.163 -58.082 1.00 53.12 H new ATOM 0 HB3 SER A 83 41.900 -50.240 -58.435 1.00 53.12 H new ATOM 0 HG SER A 83 42.629 -49.853 -60.518 1.00 23.52 H new ATOM 1219 N ASP A 84 44.728 -48.690 -55.959 1.00 31.30 N ATOM 1220 CA ASP A 84 45.699 -48.942 -54.900 1.00 74.12 C ATOM 1221 C ASP A 84 47.058 -48.350 -55.257 1.00 43.15 C ATOM 1222 O ASP A 84 47.805 -47.913 -54.383 1.00 23.15 O ATOM 1223 CB ASP A 84 45.833 -50.445 -54.649 1.00 0.20 C ATOM 1224 CG ASP A 84 44.505 -51.169 -54.746 1.00 33.03 C ATOM 1225 OD1 ASP A 84 43.537 -50.723 -54.095 1.00 35.15 O ATOM 1226 OD2 ASP A 84 44.433 -52.181 -55.473 1.00 71.23 O ATOM 0 H ASP A 84 44.069 -47.938 -55.757 1.00 31.30 H new ATOM 0 HA ASP A 84 45.341 -48.460 -53.990 1.00 74.12 H new ATOM 0 HB2 ASP A 84 46.529 -50.870 -55.372 1.00 0.20 H new ATOM 0 HB3 ASP A 84 46.261 -50.608 -53.660 1.00 0.20 H new ATOM 1231 N ALA A 85 47.373 -48.340 -56.549 1.00 12.23 N ATOM 1232 CA ALA A 85 48.642 -47.801 -57.022 1.00 13.33 C ATOM 1233 C ALA A 85 49.804 -48.708 -56.630 1.00 55.51 C ATOM 1234 O ALA A 85 50.731 -48.282 -55.941 1.00 61.42 O ATOM 1235 CB ALA A 85 48.857 -46.398 -56.473 1.00 55.11 C ATOM 0 H ALA A 85 46.766 -48.699 -57.286 1.00 12.23 H new ATOM 0 HA ALA A 85 48.604 -47.752 -58.110 1.00 13.33 H new ATOM 0 HB1 ALA A 85 49.808 -46.008 -56.834 1.00 55.11 H new ATOM 0 HB2 ALA A 85 48.048 -45.749 -56.807 1.00 55.11 H new ATOM 0 HB3 ALA A 85 48.869 -46.431 -55.384 1.00 55.11 H new ATOM 1241 N PHE A 86 49.746 -49.959 -57.073 1.00 24.20 N ATOM 1242 CA PHE A 86 50.793 -50.927 -56.767 1.00 45.11 C ATOM 1243 C PHE A 86 50.758 -52.095 -57.748 1.00 40.03 C ATOM 1244 O PHE A 86 50.398 -53.215 -57.386 1.00 24.24 O ATOM 1245 CB PHE A 86 50.637 -51.444 -55.336 1.00 2.25 C ATOM 1246 CG PHE A 86 51.481 -50.705 -54.336 1.00 72.21 C ATOM 1247 CD1 PHE A 86 52.864 -50.750 -54.409 1.00 73.32 C ATOM 1248 CD2 PHE A 86 50.891 -49.965 -53.324 1.00 31.51 C ATOM 1249 CE1 PHE A 86 53.642 -50.072 -53.490 1.00 61.23 C ATOM 1250 CE2 PHE A 86 51.664 -49.285 -52.402 1.00 43.13 C ATOM 1251 CZ PHE A 86 53.042 -49.338 -52.486 1.00 52.44 C ATOM 0 H PHE A 86 48.986 -50.327 -57.645 1.00 24.20 H new ATOM 0 HA PHE A 86 51.756 -50.425 -56.862 1.00 45.11 H new ATOM 0 HB2 PHE A 86 49.590 -51.368 -55.043 1.00 2.25 H new ATOM 0 HB3 PHE A 86 50.899 -52.502 -55.310 1.00 2.25 H new ATOM 0 HD1 PHE A 86 53.339 -51.321 -55.193 1.00 73.32 H new ATOM 0 HD2 PHE A 86 49.814 -49.919 -53.255 1.00 31.51 H new ATOM 0 HE1 PHE A 86 54.719 -50.116 -53.557 1.00 61.23 H new ATOM 0 HE2 PHE A 86 51.192 -48.713 -51.617 1.00 43.13 H new ATOM 0 HZ PHE A 86 53.649 -48.806 -51.768 1.00 52.44 H new ATOM 1261 N LYS A 87 51.133 -51.825 -58.994 1.00 3.00 N ATOM 1262 CA LYS A 87 51.146 -52.852 -60.029 1.00 40.43 C ATOM 1263 C LYS A 87 51.986 -54.050 -59.597 1.00 54.54 C ATOM 1264 O LYS A 87 52.956 -53.905 -58.855 1.00 15.45 O ATOM 1265 CB LYS A 87 51.692 -52.278 -61.339 1.00 5.24 C ATOM 1266 CG LYS A 87 50.632 -52.090 -62.410 1.00 22.31 C ATOM 1267 CD LYS A 87 49.921 -53.396 -62.725 1.00 40.41 C ATOM 1268 CE LYS A 87 49.153 -53.310 -64.035 1.00 42.43 C ATOM 1269 NZ LYS A 87 47.681 -53.385 -63.822 1.00 4.15 N ATOM 0 H LYS A 87 51.432 -50.903 -59.312 1.00 3.00 H new ATOM 0 HA LYS A 87 50.121 -53.188 -60.186 1.00 40.43 H new ATOM 0 HB2 LYS A 87 52.165 -51.317 -61.136 1.00 5.24 H new ATOM 0 HB3 LYS A 87 52.468 -52.941 -61.721 1.00 5.24 H new ATOM 0 HG2 LYS A 87 49.905 -51.349 -62.077 1.00 22.31 H new ATOM 0 HG3 LYS A 87 51.094 -51.698 -63.316 1.00 22.31 H new ATOM 0 HD2 LYS A 87 50.650 -54.204 -62.782 1.00 40.41 H new ATOM 0 HD3 LYS A 87 49.235 -53.642 -61.915 1.00 40.41 H new ATOM 0 HE2 LYS A 87 49.400 -52.376 -64.540 1.00 42.43 H new ATOM 0 HE3 LYS A 87 49.466 -54.120 -64.693 1.00 42.43 H new ATOM 0 HZ1 LYS A 87 47.260 -54.023 -64.527 1.00 4.15 H new ATOM 0 HZ2 LYS A 87 47.486 -53.748 -62.867 1.00 4.15 H new ATOM 0 HZ3 LYS A 87 47.267 -52.436 -63.923 1.00 4.15 H new ATOM 1283 N GLY A 88 51.607 -55.233 -60.069 1.00 75.53 N ATOM 1284 CA GLY A 88 52.336 -56.439 -59.722 1.00 3.20 C ATOM 1285 C GLY A 88 52.175 -57.533 -60.758 1.00 63.05 C ATOM 1286 O GLY A 88 53.114 -58.281 -61.033 1.00 64.24 O ATOM 0 H GLY A 88 50.808 -55.378 -60.686 1.00 75.53 H new ATOM 0 HA2 GLY A 88 53.394 -56.201 -59.611 1.00 3.20 H new ATOM 0 HA3 GLY A 88 51.989 -56.804 -58.756 1.00 3.20 H new ATOM 1290 N LEU A 89 50.982 -57.629 -61.335 1.00 22.05 N ATOM 1291 CA LEU A 89 50.700 -58.642 -62.346 1.00 42.41 C ATOM 1292 C LEU A 89 50.425 -57.996 -63.700 1.00 75.35 C ATOM 1293 O LEU A 89 50.129 -56.804 -63.784 1.00 45.42 O ATOM 1294 CB LEU A 89 49.504 -59.495 -61.922 1.00 73.10 C ATOM 1295 CG LEU A 89 49.787 -60.577 -60.879 1.00 12.42 C ATOM 1296 CD1 LEU A 89 49.168 -60.203 -59.541 1.00 10.31 C ATOM 1297 CD2 LEU A 89 49.263 -61.925 -61.353 1.00 4.45 C ATOM 0 H LEU A 89 50.194 -57.018 -61.120 1.00 22.05 H new ATOM 0 HA LEU A 89 51.578 -59.281 -62.440 1.00 42.41 H new ATOM 0 HB2 LEU A 89 48.732 -58.833 -61.529 1.00 73.10 H new ATOM 0 HB3 LEU A 89 49.092 -59.974 -62.810 1.00 73.10 H new ATOM 0 HG LEU A 89 50.866 -60.655 -60.748 1.00 12.42 H new ATOM 0 HD11 LEU A 89 49.380 -60.984 -58.811 1.00 10.31 H new ATOM 0 HD12 LEU A 89 49.591 -59.260 -59.195 1.00 10.31 H new ATOM 0 HD13 LEU A 89 48.089 -60.097 -59.656 1.00 10.31 H new ATOM 0 HD21 LEU A 89 49.473 -62.683 -60.598 1.00 4.45 H new ATOM 0 HD22 LEU A 89 48.187 -61.861 -61.513 1.00 4.45 H new ATOM 0 HD23 LEU A 89 49.753 -62.198 -62.287 1.00 4.45 H new ATOM 1309 N THR A 90 50.520 -58.793 -64.760 1.00 65.05 N ATOM 1310 CA THR A 90 50.281 -58.300 -66.111 1.00 34.50 C ATOM 1311 C THR A 90 49.113 -57.321 -66.140 1.00 0.13 C ATOM 1312 O THR A 90 48.034 -57.610 -65.622 1.00 35.33 O ATOM 1313 CB THR A 90 49.990 -59.456 -67.087 1.00 65.22 C ATOM 1314 OG1 THR A 90 49.890 -58.954 -68.425 1.00 23.35 O ATOM 1315 CG2 THR A 90 48.702 -60.172 -66.711 1.00 10.22 C ATOM 0 H THR A 90 50.761 -59.783 -64.709 1.00 65.05 H new ATOM 0 HA THR A 90 51.190 -57.787 -66.426 1.00 34.50 H new ATOM 0 HB THR A 90 50.813 -60.168 -67.027 1.00 65.22 H new ATOM 0 HG1 THR A 90 50.182 -59.645 -69.056 1.00 23.35 H new ATOM 0 HG21 THR A 90 48.518 -60.984 -67.415 1.00 10.22 H new ATOM 0 HG22 THR A 90 48.792 -60.578 -65.704 1.00 10.22 H new ATOM 0 HG23 THR A 90 47.871 -59.468 -66.745 1.00 10.22 H new ATOM 1323 N LEU A 91 49.335 -56.161 -66.748 1.00 71.12 N ATOM 1324 CA LEU A 91 48.300 -55.138 -66.845 1.00 53.33 C ATOM 1325 C LEU A 91 47.229 -55.541 -67.854 1.00 14.33 C ATOM 1326 O LEU A 91 46.087 -55.086 -67.778 1.00 20.02 O ATOM 1327 CB LEU A 91 48.917 -53.797 -67.248 1.00 34.03 C ATOM 1328 CG LEU A 91 49.455 -53.708 -68.676 1.00 50.41 C ATOM 1329 CD1 LEU A 91 49.274 -52.302 -69.228 1.00 35.11 C ATOM 1330 CD2 LEU A 91 50.921 -54.115 -68.720 1.00 54.21 C ATOM 0 H LEU A 91 50.222 -55.905 -67.181 1.00 71.12 H new ATOM 0 HA LEU A 91 47.831 -55.036 -65.866 1.00 53.33 H new ATOM 0 HB2 LEU A 91 48.165 -53.019 -67.115 1.00 34.03 H new ATOM 0 HB3 LEU A 91 49.732 -53.573 -66.559 1.00 34.03 H new ATOM 0 HG LEU A 91 48.888 -54.398 -69.301 1.00 50.41 H new ATOM 0 HD11 LEU A 91 49.663 -52.258 -70.245 1.00 35.11 H new ATOM 0 HD12 LEU A 91 48.214 -52.047 -69.233 1.00 35.11 H new ATOM 0 HD13 LEU A 91 49.815 -51.593 -68.602 1.00 35.11 H new ATOM 0 HD21 LEU A 91 51.287 -54.046 -69.744 1.00 54.21 H new ATOM 0 HD22 LEU A 91 51.502 -53.450 -68.081 1.00 54.21 H new ATOM 0 HD23 LEU A 91 51.025 -55.141 -68.366 1.00 54.21 H new ATOM 1342 N VAL A 92 47.604 -56.399 -68.797 1.00 50.41 N ATOM 1343 CA VAL A 92 46.675 -56.866 -69.819 1.00 31.01 C ATOM 1344 C VAL A 92 45.427 -57.476 -69.190 1.00 2.32 C ATOM 1345 O VAL A 92 44.368 -57.536 -69.815 1.00 45.45 O ATOM 1346 CB VAL A 92 47.333 -57.909 -70.741 1.00 63.14 C ATOM 1347 CG1 VAL A 92 48.669 -57.397 -71.259 1.00 31.22 C ATOM 1348 CG2 VAL A 92 47.507 -59.232 -70.011 1.00 10.15 C ATOM 0 H VAL A 92 48.545 -56.785 -68.874 1.00 50.41 H new ATOM 0 HA VAL A 92 46.392 -55.995 -70.411 1.00 31.01 H new ATOM 0 HB VAL A 92 46.678 -58.076 -71.596 1.00 63.14 H new ATOM 0 HG11 VAL A 92 49.119 -58.148 -71.909 1.00 31.22 H new ATOM 0 HG12 VAL A 92 48.513 -56.477 -71.822 1.00 31.22 H new ATOM 0 HG13 VAL A 92 49.334 -57.199 -70.418 1.00 31.22 H new ATOM 0 HG21 VAL A 92 47.973 -59.957 -70.678 1.00 10.15 H new ATOM 0 HG22 VAL A 92 48.140 -59.084 -69.136 1.00 10.15 H new ATOM 0 HG23 VAL A 92 46.532 -59.604 -69.695 1.00 10.15 H new ATOM 1358 N LYS A 93 45.558 -57.927 -67.947 1.00 64.31 N ATOM 1359 CA LYS A 93 44.442 -58.531 -67.230 1.00 74.42 C ATOM 1360 C LYS A 93 43.394 -57.483 -66.872 1.00 54.42 C ATOM 1361 O LYS A 93 42.202 -57.673 -67.118 1.00 4.12 O ATOM 1362 CB LYS A 93 44.939 -59.225 -65.960 1.00 5.41 C ATOM 1363 CG LYS A 93 43.822 -59.694 -65.045 1.00 75.22 C ATOM 1364 CD LYS A 93 43.827 -58.941 -63.726 1.00 0.33 C ATOM 1365 CE LYS A 93 44.396 -59.791 -62.601 1.00 23.24 C ATOM 1366 NZ LYS A 93 43.363 -60.127 -61.582 1.00 61.21 N ATOM 0 H LYS A 93 46.427 -57.885 -67.415 1.00 64.31 H new ATOM 0 HA LYS A 93 43.982 -59.271 -67.884 1.00 74.42 H new ATOM 0 HB2 LYS A 93 45.551 -60.082 -66.241 1.00 5.41 H new ATOM 0 HB3 LYS A 93 45.584 -58.539 -65.410 1.00 5.41 H new ATOM 0 HG2 LYS A 93 42.862 -59.554 -65.541 1.00 75.22 H new ATOM 0 HG3 LYS A 93 43.930 -60.762 -64.855 1.00 75.22 H new ATOM 0 HD2 LYS A 93 44.416 -58.030 -63.828 1.00 0.33 H new ATOM 0 HD3 LYS A 93 42.811 -58.637 -63.475 1.00 0.33 H new ATOM 0 HE2 LYS A 93 44.811 -60.710 -63.015 1.00 23.24 H new ATOM 0 HE3 LYS A 93 45.218 -59.258 -62.123 1.00 23.24 H new ATOM 0 HZ1 LYS A 93 43.791 -60.707 -60.832 1.00 61.21 H new ATOM 0 HZ2 LYS A 93 42.985 -59.251 -61.169 1.00 61.21 H new ATOM 0 HZ3 LYS A 93 42.591 -60.658 -62.033 1.00 61.21 H new ATOM 1380 N ARG A 94 43.845 -56.375 -66.292 1.00 62.42 N ATOM 1381 CA ARG A 94 42.946 -55.296 -65.901 1.00 60.50 C ATOM 1382 C ARG A 94 42.326 -54.634 -67.128 1.00 34.23 C ATOM 1383 O ARG A 94 41.116 -54.408 -67.179 1.00 41.12 O ATOM 1384 CB ARG A 94 43.697 -54.254 -65.070 1.00 72.14 C ATOM 1385 CG ARG A 94 43.505 -54.417 -63.571 1.00 65.03 C ATOM 1386 CD ARG A 94 42.467 -53.445 -63.033 1.00 43.23 C ATOM 1387 NE ARG A 94 41.170 -53.616 -63.681 1.00 54.11 N ATOM 1388 CZ ARG A 94 40.024 -53.197 -63.154 1.00 63.22 C ATOM 1389 NH1 ARG A 94 40.016 -52.586 -61.978 1.00 4.41 N ATOM 1390 NH2 ARG A 94 38.884 -53.390 -63.805 1.00 11.44 N ATOM 0 H ARG A 94 44.828 -56.201 -66.083 1.00 62.42 H new ATOM 0 HA ARG A 94 42.146 -55.724 -65.297 1.00 60.50 H new ATOM 0 HB2 ARG A 94 44.761 -54.316 -65.300 1.00 72.14 H new ATOM 0 HB3 ARG A 94 43.364 -53.259 -65.364 1.00 72.14 H new ATOM 0 HG2 ARG A 94 43.196 -55.439 -63.352 1.00 65.03 H new ATOM 0 HG3 ARG A 94 44.455 -54.255 -63.062 1.00 65.03 H new ATOM 0 HD2 ARG A 94 42.357 -53.590 -61.958 1.00 43.23 H new ATOM 0 HD3 ARG A 94 42.815 -52.423 -63.183 1.00 43.23 H new ATOM 0 HE ARG A 94 41.142 -54.082 -64.588 1.00 54.11 H new ATOM 0 HH11 ARG A 94 40.891 -52.436 -61.475 1.00 4.41 H new ATOM 0 HH12 ARG A 94 39.135 -52.265 -61.576 1.00 4.41 H new ATOM 0 HH21 ARG A 94 38.887 -53.860 -64.710 1.00 11.44 H new ATOM 0 HH22 ARG A 94 38.005 -53.068 -63.400 1.00 11.44 H new ATOM 1404 N HIS A 95 43.162 -54.325 -68.114 1.00 31.23 N ATOM 1405 CA HIS A 95 42.696 -53.689 -69.340 1.00 55.25 C ATOM 1406 C HIS A 95 41.694 -54.580 -70.068 1.00 73.21 C ATOM 1407 O HIS A 95 40.723 -54.094 -70.647 1.00 41.43 O ATOM 1408 CB HIS A 95 43.877 -53.375 -70.258 1.00 64.04 C ATOM 1409 CG HIS A 95 43.470 -52.896 -71.618 1.00 35.43 C ATOM 1410 ND1 HIS A 95 42.338 -52.140 -71.841 1.00 63.32 N ATOM 1411 CD2 HIS A 95 44.050 -53.069 -72.828 1.00 42.11 C ATOM 1412 CE1 HIS A 95 42.240 -51.870 -73.131 1.00 12.14 C ATOM 1413 NE2 HIS A 95 43.267 -52.422 -73.752 1.00 13.34 N ATOM 0 H HIS A 95 44.166 -54.505 -68.087 1.00 31.23 H new ATOM 0 HA HIS A 95 42.198 -52.758 -69.070 1.00 55.25 H new ATOM 0 HB2 HIS A 95 44.501 -52.616 -69.786 1.00 64.04 H new ATOM 0 HB3 HIS A 95 44.490 -54.270 -70.366 1.00 64.04 H new ATOM 0 HD2 HIS A 95 44.960 -53.615 -73.030 1.00 42.11 H new ATOM 0 HE1 HIS A 95 41.454 -51.296 -73.598 1.00 12.14 H new ATOM 0 HE2 HIS A 95 43.449 -52.375 -74.755 1.00 13.34 H new ATOM 1421 N GLN A 96 41.937 -55.886 -70.034 1.00 63.40 N ATOM 1422 CA GLN A 96 41.057 -56.845 -70.692 1.00 12.42 C ATOM 1423 C GLN A 96 39.745 -56.993 -69.927 1.00 44.43 C ATOM 1424 O GLN A 96 38.694 -57.242 -70.519 1.00 42.32 O ATOM 1425 CB GLN A 96 41.747 -58.204 -70.812 1.00 61.31 C ATOM 1426 CG GLN A 96 40.819 -59.320 -71.266 1.00 1.41 C ATOM 1427 CD GLN A 96 41.407 -60.145 -72.394 1.00 15.12 C ATOM 1428 OE1 GLN A 96 41.740 -59.618 -73.456 1.00 14.13 O ATOM 1429 NE2 GLN A 96 41.537 -61.447 -72.169 1.00 61.11 N ATOM 0 H GLN A 96 42.736 -56.305 -69.558 1.00 63.40 H new ATOM 0 HA GLN A 96 40.834 -56.470 -71.691 1.00 12.42 H new ATOM 0 HB2 GLN A 96 42.574 -58.121 -71.517 1.00 61.31 H new ATOM 0 HB3 GLN A 96 42.177 -58.470 -69.846 1.00 61.31 H new ATOM 0 HG2 GLN A 96 40.600 -59.972 -70.420 1.00 1.41 H new ATOM 0 HG3 GLN A 96 39.872 -58.890 -71.591 1.00 1.41 H new ATOM 0 HE21 GLN A 96 41.248 -61.841 -71.274 1.00 61.11 H new ATOM 0 HE22 GLN A 96 41.926 -62.053 -72.891 1.00 61.11 H new ATOM 1438 N LEU A 97 39.814 -56.838 -68.610 1.00 30.43 N ATOM 1439 CA LEU A 97 38.632 -56.955 -67.763 1.00 74.22 C ATOM 1440 C LEU A 97 37.598 -55.893 -68.122 1.00 11.50 C ATOM 1441 O LEU A 97 36.422 -56.199 -68.320 1.00 13.21 O ATOM 1442 CB LEU A 97 39.021 -56.827 -66.289 1.00 72.44 C ATOM 1443 CG LEU A 97 39.579 -58.089 -65.631 1.00 31.43 C ATOM 1444 CD1 LEU A 97 40.375 -57.734 -64.384 1.00 54.24 C ATOM 1445 CD2 LEU A 97 38.454 -59.055 -65.290 1.00 34.34 C ATOM 0 H LEU A 97 40.676 -56.631 -68.105 1.00 30.43 H new ATOM 0 HA LEU A 97 38.191 -57.937 -67.931 1.00 74.22 H new ATOM 0 HB2 LEU A 97 39.764 -56.035 -66.197 1.00 72.44 H new ATOM 0 HB3 LEU A 97 38.143 -56.507 -65.728 1.00 72.44 H new ATOM 0 HG LEU A 97 40.249 -58.578 -66.338 1.00 31.43 H new ATOM 0 HD11 LEU A 97 40.764 -58.645 -63.929 1.00 54.24 H new ATOM 0 HD12 LEU A 97 41.204 -57.081 -64.655 1.00 54.24 H new ATOM 0 HD13 LEU A 97 39.727 -57.222 -63.673 1.00 54.24 H new ATOM 0 HD21 LEU A 97 38.870 -59.947 -64.822 1.00 34.34 H new ATOM 0 HD22 LEU A 97 37.759 -58.575 -64.601 1.00 34.34 H new ATOM 0 HD23 LEU A 97 37.926 -59.335 -66.202 1.00 34.34 H new ATOM 1457 N ILE A 98 38.045 -54.644 -68.206 1.00 60.20 N ATOM 1458 CA ILE A 98 37.159 -53.537 -68.544 1.00 62.25 C ATOM 1459 C ILE A 98 36.963 -53.432 -70.053 1.00 12.30 C ATOM 1460 O ILE A 98 35.896 -53.037 -70.525 1.00 2.25 O ATOM 1461 CB ILE A 98 37.704 -52.198 -68.014 1.00 41.22 C ATOM 1462 CG1 ILE A 98 39.034 -51.860 -68.691 1.00 1.42 C ATOM 1463 CG2 ILE A 98 37.872 -52.255 -66.503 1.00 73.22 C ATOM 1464 CD1 ILE A 98 39.631 -50.549 -68.229 1.00 11.42 C ATOM 0 H ILE A 98 39.015 -54.374 -68.045 1.00 60.20 H new ATOM 0 HA ILE A 98 36.200 -53.743 -68.068 1.00 62.25 H new ATOM 0 HB ILE A 98 36.987 -51.412 -68.251 1.00 41.22 H new ATOM 0 HG12 ILE A 98 39.746 -52.662 -68.497 1.00 1.42 H new ATOM 0 HG13 ILE A 98 38.884 -51.821 -69.770 1.00 1.42 H new ATOM 0 HG21 ILE A 98 38.258 -51.301 -66.144 1.00 73.22 H new ATOM 0 HG22 ILE A 98 36.907 -52.455 -66.037 1.00 73.22 H new ATOM 0 HG23 ILE A 98 38.571 -53.050 -66.244 1.00 73.22 H new ATOM 0 HD11 ILE A 98 40.572 -50.374 -68.750 1.00 11.42 H new ATOM 0 HD12 ILE A 98 38.938 -49.736 -68.448 1.00 11.42 H new ATOM 0 HD13 ILE A 98 39.813 -50.591 -67.155 1.00 11.42 H new ATOM 1476 N TYR A 99 37.998 -53.789 -70.805 1.00 72.00 N ATOM 1477 CA TYR A 99 37.940 -53.734 -72.261 1.00 33.21 C ATOM 1478 C TYR A 99 37.167 -52.505 -72.729 1.00 73.25 C ATOM 1479 O TYR A 99 36.321 -52.591 -73.619 1.00 64.22 O ATOM 1480 CB TYR A 99 37.287 -55.002 -72.814 1.00 64.33 C ATOM 1481 CG TYR A 99 35.910 -55.270 -72.252 1.00 14.53 C ATOM 1482 CD1 TYR A 99 35.747 -55.976 -71.066 1.00 60.23 C ATOM 1483 CD2 TYR A 99 34.771 -54.816 -72.906 1.00 34.54 C ATOM 1484 CE1 TYR A 99 34.490 -56.223 -70.549 1.00 22.43 C ATOM 1485 CE2 TYR A 99 33.510 -55.058 -72.395 1.00 1.34 C ATOM 1486 CZ TYR A 99 33.375 -55.762 -71.216 1.00 50.32 C ATOM 1487 OH TYR A 99 32.121 -56.005 -70.705 1.00 30.33 O ATOM 0 H TYR A 99 38.887 -54.120 -70.431 1.00 72.00 H new ATOM 0 HA TYR A 99 38.960 -53.664 -72.638 1.00 33.21 H new ATOM 0 HB2 TYR A 99 37.218 -54.921 -73.899 1.00 64.33 H new ATOM 0 HB3 TYR A 99 37.930 -55.855 -72.598 1.00 64.33 H new ATOM 0 HD1 TYR A 99 36.618 -56.338 -70.540 1.00 60.23 H new ATOM 0 HD2 TYR A 99 34.873 -54.265 -73.829 1.00 34.54 H new ATOM 0 HE1 TYR A 99 34.381 -56.775 -69.627 1.00 22.43 H new ATOM 0 HE2 TYR A 99 32.635 -54.698 -72.916 1.00 1.34 H new ATOM 0 HH TYR A 99 31.445 -55.612 -71.296 1.00 30.33 H new ATOM 1497 N GLY A 100 37.464 -51.360 -72.123 1.00 23.02 N ATOM 1498 CA GLY A 100 36.790 -50.129 -72.490 1.00 50.34 C ATOM 1499 C GLY A 100 37.506 -49.385 -73.601 1.00 15.04 C ATOM 1500 O GLY A 100 36.868 -48.786 -74.468 1.00 63.22 O ATOM 0 H GLY A 100 38.160 -51.263 -71.384 1.00 23.02 H new ATOM 0 HA2 GLY A 100 35.772 -50.356 -72.806 1.00 50.34 H new ATOM 0 HA3 GLY A 100 36.715 -49.484 -71.614 1.00 50.34 H new ATOM 1504 N LEU A 101 38.833 -49.420 -73.574 1.00 62.40 N ATOM 1505 CA LEU A 101 39.637 -48.743 -74.585 1.00 40.24 C ATOM 1506 C LEU A 101 39.650 -49.533 -75.890 1.00 72.00 C ATOM 1507 O LEU A 101 40.702 -49.985 -76.344 1.00 73.23 O ATOM 1508 CB LEU A 101 41.068 -48.546 -74.081 1.00 34.42 C ATOM 1509 CG LEU A 101 41.827 -47.353 -74.662 1.00 74.23 C ATOM 1510 CD1 LEU A 101 42.330 -47.671 -76.062 1.00 33.12 C ATOM 1511 CD2 LEU A 101 40.941 -46.115 -74.680 1.00 65.51 C ATOM 0 H LEU A 101 39.376 -49.910 -72.863 1.00 62.40 H new ATOM 0 HA LEU A 101 39.188 -47.768 -74.776 1.00 40.24 H new ATOM 0 HB2 LEU A 101 41.038 -48.439 -72.997 1.00 34.42 H new ATOM 0 HB3 LEU A 101 41.635 -49.451 -74.296 1.00 34.42 H new ATOM 0 HG LEU A 101 42.689 -47.150 -74.026 1.00 74.23 H new ATOM 0 HD11 LEU A 101 42.868 -46.810 -76.460 1.00 33.12 H new ATOM 0 HD12 LEU A 101 42.999 -48.530 -76.022 1.00 33.12 H new ATOM 0 HD13 LEU A 101 41.484 -47.901 -76.709 1.00 33.12 H new ATOM 0 HD21 LEU A 101 41.497 -45.275 -75.097 1.00 65.51 H new ATOM 0 HD22 LEU A 101 40.060 -46.307 -75.293 1.00 65.51 H new ATOM 0 HD23 LEU A 101 40.630 -45.875 -73.663 1.00 65.51 H new ATOM 1523 N LEU A 102 38.475 -49.694 -76.489 1.00 63.15 N ATOM 1524 CA LEU A 102 38.351 -50.428 -77.744 1.00 40.12 C ATOM 1525 C LEU A 102 36.898 -50.474 -78.207 1.00 2.34 C ATOM 1526 O LEU A 102 36.213 -51.482 -78.036 1.00 24.22 O ATOM 1527 CB LEU A 102 38.892 -51.850 -77.582 1.00 54.31 C ATOM 1528 CG LEU A 102 38.650 -52.798 -78.757 1.00 42.44 C ATOM 1529 CD1 LEU A 102 39.971 -53.221 -79.382 1.00 12.33 C ATOM 1530 CD2 LEU A 102 37.857 -54.015 -78.306 1.00 61.41 C ATOM 0 H LEU A 102 37.595 -49.327 -76.126 1.00 63.15 H new ATOM 0 HA LEU A 102 38.938 -49.907 -78.500 1.00 40.12 H new ATOM 0 HB2 LEU A 102 39.966 -51.791 -77.404 1.00 54.31 H new ATOM 0 HB3 LEU A 102 38.445 -52.288 -76.690 1.00 54.31 H new ATOM 0 HG LEU A 102 38.067 -52.270 -79.512 1.00 42.44 H new ATOM 0 HD11 LEU A 102 39.779 -53.895 -80.217 1.00 12.33 H new ATOM 0 HD12 LEU A 102 40.502 -52.340 -79.742 1.00 12.33 H new ATOM 0 HD13 LEU A 102 40.580 -53.731 -78.636 1.00 12.33 H new ATOM 0 HD21 LEU A 102 37.694 -54.678 -79.155 1.00 61.41 H new ATOM 0 HD22 LEU A 102 38.413 -54.545 -77.533 1.00 61.41 H new ATOM 0 HD23 LEU A 102 36.895 -53.695 -77.906 1.00 61.41 H new ATOM 1542 N SER A 103 36.435 -49.375 -78.795 1.00 32.42 N ATOM 1543 CA SER A 103 35.063 -49.289 -79.281 1.00 33.51 C ATOM 1544 C SER A 103 34.825 -47.968 -80.005 1.00 14.33 C ATOM 1545 O SER A 103 34.769 -47.922 -81.234 1.00 2.43 O ATOM 1546 CB SER A 103 34.078 -49.432 -78.119 1.00 32.31 C ATOM 1547 OG SER A 103 34.742 -49.329 -76.872 1.00 2.25 O ATOM 0 H SER A 103 36.990 -48.532 -78.946 1.00 32.42 H new ATOM 0 HA SER A 103 34.902 -50.104 -79.987 1.00 33.51 H new ATOM 0 HB2 SER A 103 33.311 -48.661 -78.191 1.00 32.31 H new ATOM 0 HB3 SER A 103 33.570 -50.394 -78.185 1.00 32.31 H new ATOM 0 HG SER A 103 34.091 -49.422 -76.146 1.00 2.25 H new ATOM 1553 N ASP A 104 34.684 -46.895 -79.233 1.00 64.25 N ATOM 1554 CA ASP A 104 34.453 -45.571 -79.800 1.00 22.34 C ATOM 1555 C ASP A 104 35.718 -45.036 -80.463 1.00 40.42 C ATOM 1556 O ASP A 104 35.650 -44.309 -81.454 1.00 72.42 O ATOM 1557 CB ASP A 104 33.984 -44.603 -78.713 1.00 35.35 C ATOM 1558 CG ASP A 104 33.582 -43.253 -79.274 1.00 21.35 C ATOM 1559 OD1 ASP A 104 33.511 -43.124 -80.513 1.00 52.04 O ATOM 1560 OD2 ASP A 104 33.340 -42.326 -78.473 1.00 2.23 O ATOM 0 H ASP A 104 34.726 -46.916 -78.214 1.00 64.25 H new ATOM 0 HA ASP A 104 33.675 -45.658 -80.559 1.00 22.34 H new ATOM 0 HB2 ASP A 104 33.138 -45.039 -78.183 1.00 35.35 H new ATOM 0 HB3 ASP A 104 34.782 -44.467 -77.983 1.00 35.35 H new ATOM 1565 N GLU A 105 36.870 -45.399 -79.909 1.00 5.43 N ATOM 1566 CA GLU A 105 38.150 -44.952 -80.447 1.00 22.15 C ATOM 1567 C GLU A 105 38.263 -45.287 -81.931 1.00 61.10 C ATOM 1568 O GLU A 105 38.922 -44.577 -82.691 1.00 1.12 O ATOM 1569 CB GLU A 105 39.305 -45.598 -79.678 1.00 11.34 C ATOM 1570 CG GLU A 105 40.032 -46.676 -80.463 1.00 50.14 C ATOM 1571 CD GLU A 105 40.898 -47.556 -79.583 1.00 2.51 C ATOM 1572 OE1 GLU A 105 40.369 -48.118 -78.602 1.00 3.25 O ATOM 1573 OE2 GLU A 105 42.106 -47.682 -79.876 1.00 53.52 O ATOM 0 H GLU A 105 36.944 -46.001 -79.089 1.00 5.43 H new ATOM 0 HA GLU A 105 38.206 -43.870 -80.331 1.00 22.15 H new ATOM 0 HB2 GLU A 105 40.018 -44.824 -79.393 1.00 11.34 H new ATOM 0 HB3 GLU A 105 38.919 -46.031 -78.755 1.00 11.34 H new ATOM 0 HG2 GLU A 105 39.302 -47.296 -80.983 1.00 50.14 H new ATOM 0 HG3 GLU A 105 40.654 -46.208 -81.226 1.00 50.14 H new ATOM 1580 N PHE A 106 37.616 -46.374 -82.337 1.00 71.41 N ATOM 1581 CA PHE A 106 37.644 -46.806 -83.730 1.00 2.51 C ATOM 1582 C PHE A 106 36.881 -45.827 -84.618 1.00 4.32 C ATOM 1583 O PHE A 106 37.284 -45.553 -85.749 1.00 13.13 O ATOM 1584 CB PHE A 106 37.045 -48.207 -83.864 1.00 41.03 C ATOM 1585 CG PHE A 106 37.570 -48.972 -85.045 1.00 72.43 C ATOM 1586 CD1 PHE A 106 38.831 -49.546 -85.011 1.00 52.22 C ATOM 1587 CD2 PHE A 106 36.802 -49.119 -86.189 1.00 60.13 C ATOM 1588 CE1 PHE A 106 39.316 -50.250 -86.097 1.00 2.11 C ATOM 1589 CE2 PHE A 106 37.282 -49.823 -87.278 1.00 50.50 C ATOM 1590 CZ PHE A 106 38.540 -50.390 -87.231 1.00 44.52 C ATOM 0 H PHE A 106 37.066 -46.972 -81.721 1.00 71.41 H new ATOM 0 HA PHE A 106 38.684 -46.831 -84.056 1.00 2.51 H new ATOM 0 HB2 PHE A 106 37.252 -48.771 -82.954 1.00 41.03 H new ATOM 0 HB3 PHE A 106 35.961 -48.124 -83.947 1.00 41.03 H new ATOM 0 HD1 PHE A 106 39.441 -49.442 -84.126 1.00 52.22 H new ATOM 0 HD2 PHE A 106 35.817 -48.678 -86.231 1.00 60.13 H new ATOM 0 HE1 PHE A 106 40.301 -50.690 -86.059 1.00 2.11 H new ATOM 0 HE2 PHE A 106 36.674 -49.929 -88.164 1.00 50.50 H new ATOM 0 HZ PHE A 106 38.917 -50.942 -88.079 1.00 44.52 H new ATOM 1600 N LYS A 107 35.777 -45.303 -84.097 1.00 51.44 N ATOM 1601 CA LYS A 107 34.956 -44.354 -84.840 1.00 42.43 C ATOM 1602 C LYS A 107 35.763 -43.116 -85.219 1.00 3.00 C ATOM 1603 O LYS A 107 35.410 -42.394 -86.151 1.00 32.22 O ATOM 1604 CB LYS A 107 33.736 -43.946 -84.012 1.00 55.22 C ATOM 1605 CG LYS A 107 32.920 -42.829 -84.640 1.00 72.25 C ATOM 1606 CD LYS A 107 31.525 -42.754 -84.043 1.00 54.03 C ATOM 1607 CE LYS A 107 30.494 -42.343 -85.084 1.00 63.11 C ATOM 1608 NZ LYS A 107 30.016 -40.949 -84.871 1.00 44.12 N ATOM 0 H LYS A 107 35.430 -45.519 -83.163 1.00 51.44 H new ATOM 0 HA LYS A 107 34.620 -44.842 -85.755 1.00 42.43 H new ATOM 0 HB2 LYS A 107 33.096 -44.817 -83.870 1.00 55.22 H new ATOM 0 HB3 LYS A 107 34.068 -43.630 -83.023 1.00 55.22 H new ATOM 0 HG2 LYS A 107 33.431 -41.877 -84.494 1.00 72.25 H new ATOM 0 HG3 LYS A 107 32.848 -42.990 -85.716 1.00 72.25 H new ATOM 0 HD2 LYS A 107 31.255 -43.724 -83.625 1.00 54.03 H new ATOM 0 HD3 LYS A 107 31.518 -42.039 -83.220 1.00 54.03 H new ATOM 0 HE2 LYS A 107 30.929 -42.430 -86.080 1.00 63.11 H new ATOM 0 HE3 LYS A 107 29.646 -43.027 -85.046 1.00 63.11 H new ATOM 0 HZ1 LYS A 107 29.315 -40.707 -85.600 1.00 44.12 H new ATOM 0 HZ2 LYS A 107 29.578 -40.872 -83.931 1.00 44.12 H new ATOM 0 HZ3 LYS A 107 30.821 -40.293 -84.933 1.00 44.12 H new ATOM 1622 N ALA A 108 36.849 -42.878 -84.491 1.00 4.10 N ATOM 1623 CA ALA A 108 37.708 -41.730 -84.753 1.00 42.32 C ATOM 1624 C ALA A 108 38.676 -42.018 -85.896 1.00 3.14 C ATOM 1625 O ALA A 108 38.754 -41.261 -86.862 1.00 73.25 O ATOM 1626 CB ALA A 108 38.473 -41.344 -83.495 1.00 73.35 C ATOM 0 H ALA A 108 37.155 -43.465 -83.715 1.00 4.10 H new ATOM 0 HA ALA A 108 37.074 -40.894 -85.050 1.00 42.32 H new ATOM 0 HB1 ALA A 108 39.110 -40.485 -83.706 1.00 73.35 H new ATOM 0 HB2 ALA A 108 37.768 -41.087 -82.705 1.00 73.35 H new ATOM 0 HB3 ALA A 108 39.090 -42.183 -83.172 1.00 73.35 H new ATOM 1632 N GLY A 109 39.414 -43.118 -85.777 1.00 4.52 N ATOM 1633 CA GLY A 109 40.369 -43.485 -86.807 1.00 34.34 C ATOM 1634 C GLY A 109 41.805 -43.320 -86.352 1.00 0.32 C ATOM 1635 O GLY A 109 42.736 -43.467 -87.145 1.00 1.33 O ATOM 0 H GLY A 109 39.368 -43.761 -84.987 1.00 4.52 H new ATOM 0 HA2 GLY A 109 40.201 -44.521 -87.101 1.00 34.34 H new ATOM 0 HA3 GLY A 109 40.199 -42.871 -87.691 1.00 34.34 H new ATOM 1639 N LEU A 110 41.987 -43.011 -85.073 1.00 31.35 N ATOM 1640 CA LEU A 110 43.321 -42.824 -84.513 1.00 41.40 C ATOM 1641 C LEU A 110 43.565 -43.784 -83.353 1.00 41.41 C ATOM 1642 O LEU A 110 42.655 -44.085 -82.581 1.00 14.35 O ATOM 1643 CB LEU A 110 43.499 -41.380 -84.041 1.00 10.51 C ATOM 1644 CG LEU A 110 42.259 -40.709 -83.449 1.00 74.21 C ATOM 1645 CD1 LEU A 110 41.261 -40.370 -84.546 1.00 11.25 C ATOM 1646 CD2 LEU A 110 41.617 -41.606 -82.400 1.00 51.14 C ATOM 0 H LEU A 110 41.228 -42.885 -84.404 1.00 31.35 H new ATOM 0 HA LEU A 110 44.050 -43.037 -85.295 1.00 41.40 H new ATOM 0 HB2 LEU A 110 44.291 -41.359 -83.293 1.00 10.51 H new ATOM 0 HB3 LEU A 110 43.842 -40.783 -84.886 1.00 10.51 H new ATOM 0 HG LEU A 110 42.566 -39.781 -82.966 1.00 74.21 H new ATOM 0 HD11 LEU A 110 40.385 -39.893 -84.106 1.00 11.25 H new ATOM 0 HD12 LEU A 110 41.724 -39.690 -85.261 1.00 11.25 H new ATOM 0 HD13 LEU A 110 40.958 -41.284 -85.058 1.00 11.25 H new ATOM 0 HD21 LEU A 110 40.736 -41.113 -81.989 1.00 51.14 H new ATOM 0 HD22 LEU A 110 41.323 -42.550 -82.859 1.00 51.14 H new ATOM 0 HD23 LEU A 110 42.331 -41.799 -81.599 1.00 51.14 H new ATOM 1658 N HIS A 111 44.801 -44.260 -83.236 1.00 14.24 N ATOM 1659 CA HIS A 111 45.165 -45.184 -82.168 1.00 5.35 C ATOM 1660 C HIS A 111 44.784 -44.616 -80.804 1.00 11.21 C ATOM 1661 O HIS A 111 44.261 -43.506 -80.707 1.00 72.13 O ATOM 1662 CB HIS A 111 46.665 -45.478 -82.209 1.00 43.30 C ATOM 1663 CG HIS A 111 47.043 -46.525 -83.211 1.00 31.34 C ATOM 1664 ND1 HIS A 111 47.153 -46.270 -84.561 1.00 74.33 N ATOM 1665 CD2 HIS A 111 47.339 -47.837 -83.052 1.00 13.54 C ATOM 1666 CE1 HIS A 111 47.498 -47.380 -85.190 1.00 12.30 C ATOM 1667 NE2 HIS A 111 47.618 -48.345 -84.296 1.00 54.03 N ATOM 0 H HIS A 111 45.566 -44.021 -83.867 1.00 14.24 H new ATOM 0 HA HIS A 111 44.615 -46.113 -82.322 1.00 5.35 H new ATOM 0 HB2 HIS A 111 47.201 -44.557 -82.438 1.00 43.30 H new ATOM 0 HB3 HIS A 111 46.991 -45.799 -81.220 1.00 43.30 H new ATOM 0 HD2 HIS A 111 47.353 -48.382 -82.120 1.00 13.54 H new ATOM 0 HE1 HIS A 111 47.655 -47.481 -86.254 1.00 12.30 H new ATOM 0 HE2 HIS A 111 47.876 -49.311 -84.498 1.00 54.03 H new ATOM 1675 N ALA A 112 45.049 -45.385 -79.753 1.00 13.22 N ATOM 1676 CA ALA A 112 44.734 -44.958 -78.395 1.00 43.31 C ATOM 1677 C ALA A 112 45.651 -45.633 -77.381 1.00 32.41 C ATOM 1678 O ALA A 112 46.126 -46.748 -77.604 1.00 2.30 O ATOM 1679 CB ALA A 112 43.277 -45.254 -78.073 1.00 23.34 C ATOM 0 H ALA A 112 45.481 -46.307 -79.816 1.00 13.22 H new ATOM 0 HA ALA A 112 44.896 -43.882 -78.332 1.00 43.31 H new ATOM 0 HB1 ALA A 112 43.056 -44.930 -77.056 1.00 23.34 H new ATOM 0 HB2 ALA A 112 42.634 -44.719 -78.772 1.00 23.34 H new ATOM 0 HB3 ALA A 112 43.096 -46.325 -78.160 1.00 23.34 H new ATOM 1685 N LEU A 113 45.896 -44.953 -76.267 1.00 12.04 N ATOM 1686 CA LEU A 113 46.757 -45.488 -75.217 1.00 52.33 C ATOM 1687 C LEU A 113 46.014 -45.557 -73.887 1.00 24.34 C ATOM 1688 O LEU A 113 45.363 -44.597 -73.477 1.00 71.00 O ATOM 1689 CB LEU A 113 48.011 -44.624 -75.070 1.00 71.30 C ATOM 1690 CG LEU A 113 47.797 -43.112 -75.139 1.00 55.12 C ATOM 1691 CD1 LEU A 113 48.821 -42.388 -74.279 1.00 52.35 C ATOM 1692 CD2 LEU A 113 47.869 -42.628 -76.580 1.00 65.32 C ATOM 0 H LEU A 113 45.511 -44.030 -76.067 1.00 12.04 H new ATOM 0 HA LEU A 113 47.051 -46.499 -75.501 1.00 52.33 H new ATOM 0 HB2 LEU A 113 48.481 -44.861 -74.116 1.00 71.30 H new ATOM 0 HB3 LEU A 113 48.716 -44.907 -75.852 1.00 71.30 H new ATOM 0 HG LEU A 113 46.804 -42.887 -74.751 1.00 55.12 H new ATOM 0 HD11 LEU A 113 48.653 -41.313 -74.341 1.00 52.35 H new ATOM 0 HD12 LEU A 113 48.721 -42.712 -73.243 1.00 52.35 H new ATOM 0 HD13 LEU A 113 49.825 -42.619 -74.636 1.00 52.35 H new ATOM 0 HD21 LEU A 113 47.714 -41.549 -76.610 1.00 65.32 H new ATOM 0 HD22 LEU A 113 48.848 -42.866 -76.995 1.00 65.32 H new ATOM 0 HD23 LEU A 113 47.096 -43.122 -77.169 1.00 65.32 H new ATOM 1704 N ALA A 114 46.119 -46.700 -73.215 1.00 44.45 N ATOM 1705 CA ALA A 114 45.462 -46.893 -71.929 1.00 73.01 C ATOM 1706 C ALA A 114 46.444 -47.407 -70.882 1.00 71.32 C ATOM 1707 O ALA A 114 47.244 -48.302 -71.155 1.00 11.33 O ATOM 1708 CB ALA A 114 44.291 -47.854 -72.074 1.00 52.22 C ATOM 0 H ALA A 114 46.653 -47.506 -73.541 1.00 44.45 H new ATOM 0 HA ALA A 114 45.086 -45.927 -71.592 1.00 73.01 H new ATOM 0 HB1 ALA A 114 43.809 -47.989 -71.106 1.00 52.22 H new ATOM 0 HB2 ALA A 114 43.571 -47.446 -72.784 1.00 52.22 H new ATOM 0 HB3 ALA A 114 44.653 -48.816 -72.437 1.00 52.22 H new ATOM 1714 N MET A 115 46.378 -46.836 -69.684 1.00 52.42 N ATOM 1715 CA MET A 115 47.262 -47.238 -68.596 1.00 52.53 C ATOM 1716 C MET A 115 46.458 -47.660 -67.371 1.00 21.33 C ATOM 1717 O MET A 115 45.713 -46.864 -66.799 1.00 35.11 O ATOM 1718 CB MET A 115 48.208 -46.093 -68.230 1.00 41.50 C ATOM 1719 CG MET A 115 48.514 -45.161 -69.392 1.00 74.40 C ATOM 1720 SD MET A 115 50.103 -44.329 -69.216 1.00 25.32 S ATOM 1721 CE MET A 115 50.371 -43.752 -70.890 1.00 53.31 C ATOM 0 H MET A 115 45.722 -46.094 -69.442 1.00 52.42 H new ATOM 0 HA MET A 115 47.850 -48.091 -68.935 1.00 52.53 H new ATOM 0 HB2 MET A 115 47.768 -45.515 -67.418 1.00 41.50 H new ATOM 0 HB3 MET A 115 49.142 -46.511 -67.854 1.00 41.50 H new ATOM 0 HG2 MET A 115 48.508 -45.731 -70.321 1.00 74.40 H new ATOM 0 HG3 MET A 115 47.724 -44.414 -69.471 1.00 74.40 H new ATOM 0 HE1 MET A 115 51.301 -44.171 -71.275 1.00 53.31 H new ATOM 0 HE2 MET A 115 49.541 -44.069 -71.521 1.00 53.31 H new ATOM 0 HE3 MET A 115 50.435 -42.664 -70.894 1.00 53.31 H new ATOM 1731 N THR A 116 46.614 -48.919 -66.971 1.00 51.23 N ATOM 1732 CA THR A 116 45.902 -49.447 -65.815 1.00 31.42 C ATOM 1733 C THR A 116 46.871 -50.019 -64.786 1.00 42.52 C ATOM 1734 O THR A 116 47.648 -50.926 -65.086 1.00 30.02 O ATOM 1735 CB THR A 116 44.901 -50.544 -66.225 1.00 31.15 C ATOM 1736 OG1 THR A 116 44.269 -51.090 -65.061 1.00 51.13 O ATOM 1737 CG2 THR A 116 45.599 -51.654 -66.996 1.00 5.40 C ATOM 0 H THR A 116 47.228 -49.591 -67.431 1.00 51.23 H new ATOM 0 HA THR A 116 45.356 -48.614 -65.372 1.00 31.42 H new ATOM 0 HB THR A 116 44.147 -50.094 -66.871 1.00 31.15 H new ATOM 0 HG1 THR A 116 43.297 -51.095 -65.188 1.00 51.13 H new ATOM 0 HG21 THR A 116 44.872 -52.417 -67.274 1.00 5.40 H new ATOM 0 HG22 THR A 116 46.054 -51.241 -67.896 1.00 5.40 H new ATOM 0 HG23 THR A 116 46.372 -52.101 -66.371 1.00 5.40 H new ATOM 1745 N THR A 117 46.821 -49.482 -63.571 1.00 30.23 N ATOM 1746 CA THR A 117 47.695 -49.938 -62.497 1.00 70.34 C ATOM 1747 C THR A 117 46.887 -50.426 -61.300 1.00 41.02 C ATOM 1748 O THR A 117 46.253 -49.635 -60.601 1.00 44.35 O ATOM 1749 CB THR A 117 48.650 -48.821 -62.037 1.00 53.40 C ATOM 1750 OG1 THR A 117 49.013 -49.020 -60.666 1.00 71.24 O ATOM 1751 CG2 THR A 117 48.002 -47.454 -62.201 1.00 40.14 C ATOM 0 H THR A 117 46.184 -48.731 -63.306 1.00 30.23 H new ATOM 0 HA THR A 117 48.282 -50.765 -62.897 1.00 70.34 H new ATOM 0 HB THR A 117 49.545 -48.859 -62.659 1.00 53.40 H new ATOM 0 HG1 THR A 117 49.622 -48.306 -60.382 1.00 71.24 H new ATOM 0 HG21 THR A 117 48.695 -46.681 -61.870 1.00 40.14 H new ATOM 0 HG22 THR A 117 47.753 -47.293 -63.250 1.00 40.14 H new ATOM 0 HG23 THR A 117 47.093 -47.408 -61.601 1.00 40.14 H new ATOM 1759 N LYS A 118 46.914 -51.734 -61.068 1.00 12.14 N ATOM 1760 CA LYS A 118 46.186 -52.328 -59.953 1.00 74.31 C ATOM 1761 C LYS A 118 47.012 -53.422 -59.284 1.00 45.40 C ATOM 1762 O LYS A 118 47.937 -53.971 -59.884 1.00 74.44 O ATOM 1763 CB LYS A 118 44.854 -52.906 -60.437 1.00 54.23 C ATOM 1764 CG LYS A 118 43.929 -53.332 -59.310 1.00 4.33 C ATOM 1765 CD LYS A 118 43.922 -54.841 -59.135 1.00 21.04 C ATOM 1766 CE LYS A 118 42.509 -55.374 -58.954 1.00 62.41 C ATOM 1767 NZ LYS A 118 42.027 -55.205 -57.555 1.00 60.44 N ATOM 0 H LYS A 118 47.432 -52.403 -61.637 1.00 12.14 H new ATOM 0 HA LYS A 118 45.992 -51.544 -59.221 1.00 74.31 H new ATOM 0 HB2 LYS A 118 44.346 -52.162 -61.050 1.00 54.23 H new ATOM 0 HB3 LYS A 118 45.052 -53.765 -61.077 1.00 54.23 H new ATOM 0 HG2 LYS A 118 44.245 -52.858 -58.380 1.00 4.33 H new ATOM 0 HG3 LYS A 118 42.917 -52.984 -59.517 1.00 4.33 H new ATOM 0 HD2 LYS A 118 44.381 -55.311 -60.005 1.00 21.04 H new ATOM 0 HD3 LYS A 118 44.528 -55.111 -58.270 1.00 21.04 H new ATOM 0 HE2 LYS A 118 41.835 -54.855 -59.635 1.00 62.41 H new ATOM 0 HE3 LYS A 118 42.482 -56.430 -59.222 1.00 62.41 H new ATOM 0 HZ1 LYS A 118 41.061 -55.580 -57.473 1.00 60.44 H new ATOM 0 HZ2 LYS A 118 42.655 -55.721 -56.907 1.00 60.44 H new ATOM 0 HZ3 LYS A 118 42.028 -54.195 -57.307 1.00 60.44 H new ATOM 1781 N THR A 119 46.674 -53.734 -58.037 1.00 32.20 N ATOM 1782 CA THR A 119 47.385 -54.762 -57.287 1.00 15.12 C ATOM 1783 C THR A 119 46.494 -55.973 -57.034 1.00 70.02 C ATOM 1784 O THR A 119 46.021 -56.204 -55.921 1.00 74.54 O ATOM 1785 CB THR A 119 47.892 -54.222 -55.937 1.00 3.25 C ATOM 1786 OG1 THR A 119 48.204 -52.829 -56.052 1.00 15.21 O ATOM 1787 CG2 THR A 119 49.125 -54.986 -55.477 1.00 40.32 C ATOM 0 H THR A 119 45.912 -53.289 -57.525 1.00 32.20 H new ATOM 0 HA THR A 119 48.239 -55.063 -57.894 1.00 15.12 H new ATOM 0 HB THR A 119 47.103 -54.357 -55.198 1.00 3.25 H new ATOM 0 HG1 THR A 119 48.771 -52.685 -56.838 1.00 15.21 H new ATOM 0 HG21 THR A 119 49.465 -54.587 -54.521 1.00 40.32 H new ATOM 0 HG22 THR A 119 48.877 -56.041 -55.362 1.00 40.32 H new ATOM 0 HG23 THR A 119 49.917 -54.878 -56.218 1.00 40.32 H new