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 -179:sc= -1.48 USER MOD Set 1.2: A 83 SER OG : rot -170:sc= -0.595 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -131:sc= 0.795 USER MOD Single : A 39 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0651) USER MOD Single : A 45 SER OG : rot 180:sc= -0.557 USER MOD Single : A 48 HIS : no HD1:sc= -0.102 X(o=-0.1,f=-0.29) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -4.66! C(o=-4.7!,f=-2.5!) USER MOD Single : A 55 SER OG : rot 180:sc= -0.0974 USER MOD Single : A 56 HIS : no HD1:sc= -0.0186 X(o=-0.019,f=-0.0008) USER MOD Single : A 75 THR OG1 : rot -30:sc= -0.0877 USER MOD Single : A 76 HIS : no HE2:sc= -1.16 X(o=-1.2,f=-1.3) 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 21:sc= 1.11 USER MOD Single : A 93 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.272) USER MOD Single : A 95 HIS : no HD1:sc= -2.92! K(o=-2.9!,f=-1.1) USER MOD Single : A 96 GLN : amide:sc= -0.0384 K(o=-0.038,f=-0.73) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 55:sc= 1.13 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS : no HD1:sc= -0.0541 X(o=-0.054,f=0) USER MOD Single : A 115 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot -140:sc= -0.639 USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.591 USER MOD Single : A 118 LYS NZ :NH3+ -174:sc= 0.447 (180deg=0.427) USER MOD Single : A 119 THR OG1 : rot -130:sc= -0.589 USER MOD ----------------------------------------------------------------- ATOM 471 N ALA A 33 37.536 -37.682 -79.465 1.00 24.03 N ATOM 472 CA ALA A 33 37.117 -38.804 -80.295 1.00 61.21 C ATOM 473 C ALA A 33 35.664 -39.177 -80.021 1.00 50.25 C ATOM 474 O ALA A 33 35.066 -38.713 -79.051 1.00 62.32 O ATOM 475 CB ALA A 33 38.025 -40.003 -80.060 1.00 15.30 C ATOM 0 HA ALA A 33 37.196 -38.501 -81.339 1.00 61.21 H new ATOM 0 HB1 ALA A 33 37.700 -40.834 -80.687 1.00 15.30 H new ATOM 0 HB2 ALA A 33 39.051 -39.737 -80.313 1.00 15.30 H new ATOM 0 HB3 ALA A 33 37.974 -40.298 -79.012 1.00 15.30 H new ATOM 481 N GLY A 34 35.100 -40.017 -80.884 1.00 45.04 N ATOM 482 CA GLY A 34 33.721 -40.437 -80.718 1.00 42.43 C ATOM 483 C GLY A 34 33.445 -40.986 -79.333 1.00 2.13 C ATOM 484 O GLY A 34 32.375 -40.758 -78.769 1.00 61.24 O ATOM 0 H GLY A 34 35.574 -40.414 -81.695 1.00 45.04 H new ATOM 0 HA2 GLY A 34 33.061 -39.590 -80.908 1.00 42.43 H new ATOM 0 HA3 GLY A 34 33.484 -41.199 -81.461 1.00 42.43 H new ATOM 488 N ALA A 35 34.412 -41.713 -78.783 1.00 2.13 N ATOM 489 CA ALA A 35 34.268 -42.296 -77.455 1.00 22.04 C ATOM 490 C ALA A 35 34.051 -41.215 -76.401 1.00 24.20 C ATOM 491 O ALA A 35 33.448 -41.465 -75.357 1.00 72.12 O ATOM 492 CB ALA A 35 35.491 -43.134 -77.110 1.00 51.45 C ATOM 0 H ALA A 35 35.304 -41.912 -79.237 1.00 2.13 H new ATOM 0 HA ALA A 35 33.390 -42.941 -77.462 1.00 22.04 H new ATOM 0 HB1 ALA A 35 35.369 -43.563 -76.115 1.00 51.45 H new ATOM 0 HB2 ALA A 35 35.600 -43.936 -77.840 1.00 51.45 H new ATOM 0 HB3 ALA A 35 36.380 -42.504 -77.127 1.00 51.45 H new ATOM 498 N ILE A 36 34.548 -40.015 -76.681 1.00 14.22 N ATOM 499 CA ILE A 36 34.407 -38.896 -75.757 1.00 23.44 C ATOM 500 C ILE A 36 32.953 -38.707 -75.340 1.00 53.41 C ATOM 501 O ILE A 36 32.666 -38.274 -74.224 1.00 2.33 O ATOM 502 CB ILE A 36 34.927 -37.586 -76.376 1.00 43.30 C ATOM 503 CG1 ILE A 36 35.408 -36.633 -75.279 1.00 72.22 C ATOM 504 CG2 ILE A 36 33.842 -36.930 -77.216 1.00 51.15 C ATOM 505 CD1 ILE A 36 36.728 -35.965 -75.595 1.00 32.24 C ATOM 0 H ILE A 36 35.052 -39.793 -77.540 1.00 14.22 H new ATOM 0 HA ILE A 36 35.006 -39.135 -74.878 1.00 23.44 H new ATOM 0 HB ILE A 36 35.771 -37.818 -77.025 1.00 43.30 H new ATOM 0 HG12 ILE A 36 34.651 -35.865 -75.118 1.00 72.22 H new ATOM 0 HG13 ILE A 36 35.504 -37.186 -74.345 1.00 72.22 H new ATOM 0 HG21 ILE A 36 34.225 -36.005 -77.647 1.00 51.15 H new ATOM 0 HG22 ILE A 36 33.543 -37.607 -78.016 1.00 51.15 H new ATOM 0 HG23 ILE A 36 32.980 -36.708 -76.587 1.00 51.15 H new ATOM 0 HD11 ILE A 36 37.007 -35.304 -74.774 1.00 32.24 H new ATOM 0 HD12 ILE A 36 37.498 -36.725 -75.727 1.00 32.24 H new ATOM 0 HD13 ILE A 36 36.631 -35.384 -76.512 1.00 32.24 H new ATOM 517 N LYS A 37 32.036 -39.035 -76.244 1.00 64.34 N ATOM 518 CA LYS A 37 30.610 -38.905 -75.971 1.00 41.25 C ATOM 519 C LYS A 37 30.190 -39.818 -74.825 1.00 33.53 C ATOM 520 O LYS A 37 29.394 -39.431 -73.969 1.00 51.24 O ATOM 521 CB LYS A 37 29.798 -39.236 -77.225 1.00 54.34 C ATOM 522 CG LYS A 37 29.539 -38.034 -78.117 1.00 55.31 C ATOM 523 CD LYS A 37 28.348 -37.225 -77.631 1.00 14.02 C ATOM 524 CE LYS A 37 28.106 -36.006 -78.508 1.00 74.54 C ATOM 525 NZ LYS A 37 28.290 -34.735 -77.755 1.00 72.13 N ATOM 0 H LYS A 37 32.256 -39.393 -77.173 1.00 64.34 H new ATOM 0 HA LYS A 37 30.414 -37.873 -75.680 1.00 41.25 H new ATOM 0 HB2 LYS A 37 30.326 -39.997 -77.799 1.00 54.34 H new ATOM 0 HB3 LYS A 37 28.843 -39.668 -76.926 1.00 54.34 H new ATOM 0 HG2 LYS A 37 30.425 -37.400 -78.141 1.00 55.31 H new ATOM 0 HG3 LYS A 37 29.360 -38.370 -79.138 1.00 55.31 H new ATOM 0 HD2 LYS A 37 27.458 -37.854 -77.626 1.00 14.02 H new ATOM 0 HD3 LYS A 37 28.519 -36.906 -76.603 1.00 14.02 H new ATOM 0 HE2 LYS A 37 28.790 -36.028 -79.356 1.00 74.54 H new ATOM 0 HE3 LYS A 37 27.095 -36.045 -78.913 1.00 74.54 H new ATOM 0 HZ1 LYS A 37 28.116 -33.928 -78.388 1.00 72.13 H new ATOM 0 HZ2 LYS A 37 27.620 -34.702 -76.960 1.00 72.13 H new ATOM 0 HZ3 LYS A 37 29.263 -34.685 -77.390 1.00 72.13 H new ATOM 539 N SER A 38 30.731 -41.033 -74.813 1.00 14.44 N ATOM 540 CA SER A 38 30.409 -42.002 -73.772 1.00 25.12 C ATOM 541 C SER A 38 30.897 -41.518 -72.410 1.00 32.15 C ATOM 542 O SER A 38 30.175 -41.594 -71.415 1.00 74.13 O ATOM 543 CB SER A 38 31.037 -43.359 -74.098 1.00 52.21 C ATOM 544 OG SER A 38 30.319 -44.018 -75.127 1.00 24.20 O ATOM 0 H SER A 38 31.394 -41.369 -75.512 1.00 14.44 H new ATOM 0 HA SER A 38 29.325 -42.110 -73.733 1.00 25.12 H new ATOM 0 HB2 SER A 38 32.073 -43.219 -74.405 1.00 52.21 H new ATOM 0 HB3 SER A 38 31.051 -43.982 -73.203 1.00 52.21 H new ATOM 0 HG SER A 38 30.137 -44.943 -74.858 1.00 24.20 H new ATOM 550 N LYS A 39 32.128 -41.020 -72.372 1.00 10.15 N ATOM 551 CA LYS A 39 32.714 -40.521 -71.133 1.00 63.51 C ATOM 552 C LYS A 39 31.932 -39.323 -70.604 1.00 61.53 C ATOM 553 O LYS A 39 31.814 -39.132 -69.394 1.00 52.30 O ATOM 554 CB LYS A 39 34.177 -40.130 -71.358 1.00 74.23 C ATOM 555 CG LYS A 39 34.392 -38.633 -71.491 1.00 51.52 C ATOM 556 CD LYS A 39 35.831 -38.306 -71.852 1.00 43.01 C ATOM 557 CE LYS A 39 36.075 -36.805 -71.870 1.00 54.33 C ATOM 558 NZ LYS A 39 37.452 -36.471 -72.328 1.00 30.42 N ATOM 0 H LYS A 39 32.740 -40.951 -73.185 1.00 10.15 H new ATOM 0 HA LYS A 39 32.667 -41.319 -70.392 1.00 63.51 H new ATOM 0 HB2 LYS A 39 34.776 -40.502 -70.527 1.00 74.23 H new ATOM 0 HB3 LYS A 39 34.542 -40.623 -72.259 1.00 74.23 H new ATOM 0 HG2 LYS A 39 33.725 -38.235 -72.256 1.00 51.52 H new ATOM 0 HG3 LYS A 39 34.131 -38.142 -70.553 1.00 51.52 H new ATOM 0 HD2 LYS A 39 36.503 -38.776 -71.134 1.00 43.01 H new ATOM 0 HD3 LYS A 39 36.066 -38.725 -72.830 1.00 43.01 H new ATOM 0 HE2 LYS A 39 35.348 -36.327 -72.527 1.00 54.33 H new ATOM 0 HE3 LYS A 39 35.917 -36.400 -70.871 1.00 54.33 H new ATOM 0 HZ1 LYS A 39 37.546 -35.440 -72.423 1.00 30.42 H new ATOM 0 HZ2 LYS A 39 38.143 -36.819 -71.633 1.00 30.42 H new ATOM 0 HZ3 LYS A 39 37.631 -36.921 -73.248 1.00 30.42 H new ATOM 572 N VAL A 40 31.398 -38.520 -71.519 1.00 63.33 N ATOM 573 CA VAL A 40 30.625 -37.342 -71.145 1.00 30.41 C ATOM 574 C VAL A 40 29.379 -37.731 -70.357 1.00 0.32 C ATOM 575 O VAL A 40 28.996 -37.049 -69.407 1.00 5.41 O ATOM 576 CB VAL A 40 30.203 -36.531 -72.384 1.00 40.21 C ATOM 577 CG1 VAL A 40 29.206 -35.448 -71.999 1.00 62.25 C ATOM 578 CG2 VAL A 40 31.422 -35.927 -73.065 1.00 72.35 C ATOM 0 H VAL A 40 31.487 -38.664 -72.525 1.00 63.33 H new ATOM 0 HA VAL A 40 31.270 -36.725 -70.519 1.00 30.41 H new ATOM 0 HB VAL A 40 29.717 -37.205 -73.090 1.00 40.21 H new ATOM 0 HG11 VAL A 40 28.919 -34.885 -72.887 1.00 62.25 H new ATOM 0 HG12 VAL A 40 28.321 -35.908 -71.559 1.00 62.25 H new ATOM 0 HG13 VAL A 40 29.663 -34.774 -71.274 1.00 62.25 H new ATOM 0 HG21 VAL A 40 31.106 -35.357 -73.939 1.00 72.35 H new ATOM 0 HG22 VAL A 40 31.938 -35.266 -72.368 1.00 72.35 H new ATOM 0 HG23 VAL A 40 32.097 -36.724 -73.377 1.00 72.35 H new ATOM 588 N GLU A 41 28.751 -38.831 -70.758 1.00 73.41 N ATOM 589 CA GLU A 41 27.547 -39.310 -70.089 1.00 20.13 C ATOM 590 C GLU A 41 27.835 -39.651 -68.629 1.00 50.33 C ATOM 591 O GLU A 41 26.946 -39.594 -67.781 1.00 33.24 O ATOM 592 CB GLU A 41 26.990 -40.539 -70.810 1.00 72.02 C ATOM 593 CG GLU A 41 27.486 -41.857 -70.239 1.00 51.15 C ATOM 594 CD GLU A 41 26.636 -42.349 -69.084 1.00 2.00 C ATOM 595 OE1 GLU A 41 25.640 -41.673 -68.751 1.00 71.22 O ATOM 596 OE2 GLU A 41 26.967 -43.409 -68.513 1.00 0.24 O ATOM 0 H GLU A 41 29.056 -39.407 -71.543 1.00 73.41 H new ATOM 0 HA GLU A 41 26.804 -38.513 -70.119 1.00 20.13 H new ATOM 0 HB2 GLU A 41 25.901 -40.517 -70.759 1.00 72.02 H new ATOM 0 HB3 GLU A 41 27.261 -40.485 -71.864 1.00 72.02 H new ATOM 0 HG2 GLU A 41 27.493 -42.610 -71.027 1.00 51.15 H new ATOM 0 HG3 GLU A 41 28.516 -41.738 -69.902 1.00 51.15 H new ATOM 603 N ALA A 42 29.084 -40.005 -68.346 1.00 2.01 N ATOM 604 CA ALA A 42 29.490 -40.353 -66.990 1.00 65.41 C ATOM 605 C ALA A 42 29.825 -39.106 -66.180 1.00 12.25 C ATOM 606 O ALA A 42 29.788 -39.125 -64.950 1.00 25.14 O ATOM 607 CB ALA A 42 30.682 -41.299 -67.023 1.00 1.12 C ATOM 0 H ALA A 42 29.832 -40.058 -69.037 1.00 2.01 H new ATOM 0 HA ALA A 42 28.654 -40.856 -66.504 1.00 65.41 H new ATOM 0 HB1 ALA A 42 30.975 -41.551 -66.004 1.00 1.12 H new ATOM 0 HB2 ALA A 42 30.410 -42.209 -67.558 1.00 1.12 H new ATOM 0 HB3 ALA A 42 31.516 -40.816 -67.531 1.00 1.12 H new ATOM 613 N ALA A 43 30.151 -38.022 -66.877 1.00 30.51 N ATOM 614 CA ALA A 43 30.491 -36.766 -66.221 1.00 55.44 C ATOM 615 C ALA A 43 29.325 -36.250 -65.384 1.00 74.54 C ATOM 616 O ALA A 43 29.520 -35.522 -64.410 1.00 62.52 O ATOM 617 CB ALA A 43 30.902 -35.726 -67.254 1.00 35.23 C ATOM 0 H ALA A 43 30.187 -37.989 -67.896 1.00 30.51 H new ATOM 0 HA ALA A 43 31.331 -36.950 -65.551 1.00 55.44 H new ATOM 0 HB1 ALA A 43 31.153 -34.793 -66.750 1.00 35.23 H new ATOM 0 HB2 ALA A 43 31.770 -36.085 -67.807 1.00 35.23 H new ATOM 0 HB3 ALA A 43 30.077 -35.554 -67.946 1.00 35.23 H new ATOM 623 N LEU A 44 28.112 -36.632 -65.770 1.00 51.40 N ATOM 624 CA LEU A 44 26.913 -36.207 -65.055 1.00 61.40 C ATOM 625 C LEU A 44 26.944 -36.688 -63.608 1.00 13.13 C ATOM 626 O LEU A 44 26.342 -36.074 -62.726 1.00 45.24 O ATOM 627 CB LEU A 44 25.662 -36.741 -65.755 1.00 41.12 C ATOM 628 CG LEU A 44 25.536 -36.416 -67.244 1.00 11.40 C ATOM 629 CD1 LEU A 44 24.279 -37.046 -67.823 1.00 50.24 C ATOM 630 CD2 LEU A 44 25.529 -34.910 -67.462 1.00 50.41 C ATOM 0 H LEU A 44 27.933 -37.235 -66.573 1.00 51.40 H new ATOM 0 HA LEU A 44 26.885 -35.117 -65.056 1.00 61.40 H new ATOM 0 HB2 LEU A 44 25.638 -37.824 -65.637 1.00 41.12 H new ATOM 0 HB3 LEU A 44 24.786 -36.345 -65.242 1.00 41.12 H new ATOM 0 HG LEU A 44 26.399 -36.834 -67.762 1.00 11.40 H new ATOM 0 HD11 LEU A 44 24.206 -36.804 -68.883 1.00 50.24 H new ATOM 0 HD12 LEU A 44 24.325 -38.128 -67.700 1.00 50.24 H new ATOM 0 HD13 LEU A 44 23.404 -36.658 -67.301 1.00 50.24 H new ATOM 0 HD21 LEU A 44 25.439 -34.697 -68.527 1.00 50.41 H new ATOM 0 HD22 LEU A 44 24.685 -34.469 -66.931 1.00 50.41 H new ATOM 0 HD23 LEU A 44 26.458 -34.483 -67.084 1.00 50.41 H new ATOM 642 N SER A 45 27.650 -37.789 -63.370 1.00 13.42 N ATOM 643 CA SER A 45 27.758 -38.353 -62.029 1.00 53.34 C ATOM 644 C SER A 45 29.097 -37.991 -61.394 1.00 14.51 C ATOM 645 O SER A 45 30.058 -37.629 -62.073 1.00 72.32 O ATOM 646 CB SER A 45 27.599 -39.873 -62.079 1.00 35.52 C ATOM 647 OG SER A 45 26.463 -40.292 -61.341 1.00 3.40 O ATOM 0 H SER A 45 28.156 -38.308 -64.088 1.00 13.42 H new ATOM 0 HA SER A 45 26.960 -37.931 -61.418 1.00 53.34 H new ATOM 0 HB2 SER A 45 27.504 -40.198 -63.115 1.00 35.52 H new ATOM 0 HB3 SER A 45 28.493 -40.349 -61.677 1.00 35.52 H new ATOM 0 HG SER A 45 26.383 -41.267 -61.390 1.00 3.40 H new ATOM 653 N PRO A 46 29.162 -38.089 -60.058 1.00 3.12 N ATOM 654 CA PRO A 46 30.378 -37.777 -59.300 1.00 14.21 C ATOM 655 C PRO A 46 31.482 -38.803 -59.528 1.00 4.23 C ATOM 656 O PRO A 46 31.478 -39.879 -58.929 1.00 62.22 O ATOM 657 CB PRO A 46 29.907 -37.813 -57.844 1.00 14.31 C ATOM 658 CG PRO A 46 28.721 -38.715 -57.851 1.00 63.13 C ATOM 659 CD PRO A 46 28.055 -38.513 -59.184 1.00 63.03 C ATOM 0 HA PRO A 46 30.811 -36.822 -59.599 1.00 14.21 H new ATOM 0 HB2 PRO A 46 30.688 -38.191 -57.185 1.00 14.31 H new ATOM 0 HB3 PRO A 46 29.644 -36.817 -57.488 1.00 14.31 H new ATOM 0 HG2 PRO A 46 29.021 -39.755 -57.718 1.00 63.13 H new ATOM 0 HG3 PRO A 46 28.041 -38.472 -57.034 1.00 63.13 H new ATOM 0 HD2 PRO A 46 27.588 -39.430 -59.543 1.00 63.03 H new ATOM 0 HD3 PRO A 46 27.272 -37.756 -59.131 1.00 63.03 H new ATOM 667 N THR A 47 32.429 -38.463 -60.397 1.00 24.11 N ATOM 668 CA THR A 47 33.540 -39.355 -60.704 1.00 43.12 C ATOM 669 C THR A 47 34.534 -38.690 -61.649 1.00 41.45 C ATOM 670 O THR A 47 34.434 -37.495 -61.932 1.00 33.12 O ATOM 671 CB THR A 47 33.047 -40.669 -61.338 1.00 71.13 C ATOM 672 OG1 THR A 47 34.118 -41.618 -61.395 1.00 51.13 O ATOM 673 CG2 THR A 47 32.505 -40.424 -62.738 1.00 75.23 C ATOM 0 H THR A 47 32.449 -37.576 -60.901 1.00 24.11 H new ATOM 0 HA THR A 47 34.035 -39.579 -59.759 1.00 43.12 H new ATOM 0 HB THR A 47 32.243 -41.066 -60.718 1.00 71.13 H new ATOM 0 HG1 THR A 47 33.800 -42.446 -61.813 1.00 51.13 H new ATOM 0 HG21 THR A 47 32.163 -41.366 -63.166 1.00 75.23 H new ATOM 0 HG22 THR A 47 31.671 -39.724 -62.688 1.00 75.23 H new ATOM 0 HG23 THR A 47 33.292 -40.006 -63.365 1.00 75.23 H new ATOM 681 N HIS A 48 35.494 -39.470 -62.137 1.00 14.11 N ATOM 682 CA HIS A 48 36.506 -38.956 -63.053 1.00 12.45 C ATOM 683 C HIS A 48 36.597 -39.823 -64.304 1.00 60.13 C ATOM 684 O HIS A 48 36.463 -41.045 -64.236 1.00 74.04 O ATOM 685 CB HIS A 48 37.867 -38.895 -62.359 1.00 64.25 C ATOM 686 CG HIS A 48 38.631 -37.639 -62.647 1.00 15.02 C ATOM 687 ND1 HIS A 48 38.080 -36.380 -62.529 1.00 73.35 N ATOM 688 CD2 HIS A 48 39.910 -37.452 -63.047 1.00 21.32 C ATOM 689 CE1 HIS A 48 38.987 -35.474 -62.847 1.00 11.24 C ATOM 690 NE2 HIS A 48 40.107 -36.098 -63.164 1.00 33.30 N ATOM 0 H HIS A 48 35.592 -40.460 -61.913 1.00 14.11 H new ATOM 0 HA HIS A 48 36.214 -37.949 -63.352 1.00 12.45 H new ATOM 0 HB2 HIS A 48 37.721 -38.983 -61.282 1.00 64.25 H new ATOM 0 HB3 HIS A 48 38.463 -39.753 -62.671 1.00 64.25 H new ATOM 0 HD2 HIS A 48 40.640 -38.224 -63.239 1.00 21.32 H new ATOM 0 HE1 HIS A 48 38.838 -34.404 -62.848 1.00 11.24 H new ATOM 0 HE2 HIS A 48 40.977 -35.648 -63.449 1.00 33.30 H new ATOM 698 N PHE A 49 36.825 -39.183 -65.446 1.00 64.24 N ATOM 699 CA PHE A 49 36.933 -39.896 -66.714 1.00 33.20 C ATOM 700 C PHE A 49 38.160 -39.435 -67.495 1.00 72.40 C ATOM 701 O PHE A 49 38.371 -38.239 -67.693 1.00 3.32 O ATOM 702 CB PHE A 49 35.671 -39.682 -67.552 1.00 74.12 C ATOM 703 CG PHE A 49 35.157 -38.271 -67.513 1.00 64.13 C ATOM 704 CD1 PHE A 49 34.323 -37.851 -66.490 1.00 74.53 C ATOM 705 CD2 PHE A 49 35.509 -37.364 -68.500 1.00 64.42 C ATOM 706 CE1 PHE A 49 33.849 -36.554 -66.451 1.00 53.42 C ATOM 707 CE2 PHE A 49 35.039 -36.065 -68.466 1.00 60.32 C ATOM 708 CZ PHE A 49 34.207 -35.660 -67.441 1.00 53.32 C ATOM 0 H PHE A 49 36.939 -38.172 -65.520 1.00 64.24 H new ATOM 0 HA PHE A 49 37.041 -40.959 -66.497 1.00 33.20 H new ATOM 0 HB2 PHE A 49 35.881 -39.955 -68.586 1.00 74.12 H new ATOM 0 HB3 PHE A 49 34.890 -40.354 -67.197 1.00 74.12 H new ATOM 0 HD1 PHE A 49 34.040 -38.546 -65.713 1.00 74.53 H new ATOM 0 HD2 PHE A 49 36.158 -37.676 -69.305 1.00 64.42 H new ATOM 0 HE1 PHE A 49 33.199 -36.240 -65.648 1.00 53.42 H new ATOM 0 HE2 PHE A 49 35.322 -35.367 -69.240 1.00 60.32 H new ATOM 0 HZ PHE A 49 33.837 -34.646 -67.414 1.00 53.32 H new ATOM 718 N LYS A 50 38.967 -40.394 -67.937 1.00 31.14 N ATOM 719 CA LYS A 50 40.173 -40.089 -68.697 1.00 23.52 C ATOM 720 C LYS A 50 40.208 -40.879 -70.001 1.00 63.23 C ATOM 721 O LYS A 50 40.352 -42.103 -69.995 1.00 1.53 O ATOM 722 CB LYS A 50 41.418 -40.404 -67.864 1.00 44.13 C ATOM 723 CG LYS A 50 42.663 -40.649 -68.700 1.00 73.21 C ATOM 724 CD LYS A 50 43.853 -41.020 -67.832 1.00 22.51 C ATOM 725 CE LYS A 50 44.863 -39.885 -67.755 1.00 34.20 C ATOM 726 NZ LYS A 50 44.642 -39.027 -66.558 1.00 60.11 N ATOM 0 H LYS A 50 38.807 -41.389 -67.782 1.00 31.14 H new ATOM 0 HA LYS A 50 40.163 -39.026 -68.937 1.00 23.52 H new ATOM 0 HB2 LYS A 50 41.607 -39.576 -67.180 1.00 44.13 H new ATOM 0 HB3 LYS A 50 41.222 -41.285 -67.252 1.00 44.13 H new ATOM 0 HG2 LYS A 50 42.470 -41.448 -69.416 1.00 73.21 H new ATOM 0 HG3 LYS A 50 42.897 -39.754 -69.277 1.00 73.21 H new ATOM 0 HD2 LYS A 50 43.509 -41.271 -66.829 1.00 22.51 H new ATOM 0 HD3 LYS A 50 44.335 -41.911 -68.235 1.00 22.51 H new ATOM 0 HE2 LYS A 50 45.871 -40.298 -67.725 1.00 34.20 H new ATOM 0 HE3 LYS A 50 44.794 -39.276 -68.656 1.00 34.20 H new ATOM 0 HZ1 LYS A 50 45.350 -38.265 -66.541 1.00 60.11 H new ATOM 0 HZ2 LYS A 50 43.689 -38.613 -66.599 1.00 60.11 H new ATOM 0 HZ3 LYS A 50 44.733 -39.603 -65.697 1.00 60.11 H new ATOM 740 N LEU A 51 40.077 -40.173 -71.119 1.00 4.23 N ATOM 741 CA LEU A 51 40.096 -40.808 -72.432 1.00 12.11 C ATOM 742 C LEU A 51 41.089 -40.114 -73.358 1.00 63.34 C ATOM 743 O LEU A 51 40.927 -38.940 -73.691 1.00 0.20 O ATOM 744 CB LEU A 51 38.698 -40.781 -73.053 1.00 31.24 C ATOM 745 CG LEU A 51 38.626 -41.045 -74.557 1.00 64.21 C ATOM 746 CD1 LEU A 51 37.361 -41.814 -74.905 1.00 1.04 C ATOM 747 CD2 LEU A 51 38.687 -39.737 -75.332 1.00 4.34 C ATOM 0 H LEU A 51 39.956 -39.160 -71.142 1.00 4.23 H new ATOM 0 HA LEU A 51 40.410 -41.844 -72.303 1.00 12.11 H new ATOM 0 HB2 LEU A 51 38.082 -41.523 -72.544 1.00 31.24 H new ATOM 0 HB3 LEU A 51 38.253 -39.806 -72.854 1.00 31.24 H new ATOM 0 HG LEU A 51 39.485 -41.653 -74.841 1.00 64.21 H new ATOM 0 HD11 LEU A 51 37.328 -41.992 -75.980 1.00 1.04 H new ATOM 0 HD12 LEU A 51 37.359 -42.768 -74.379 1.00 1.04 H new ATOM 0 HD13 LEU A 51 36.488 -41.233 -74.606 1.00 1.04 H new ATOM 0 HD21 LEU A 51 38.635 -39.945 -76.401 1.00 4.34 H new ATOM 0 HD22 LEU A 51 37.848 -39.104 -75.044 1.00 4.34 H new ATOM 0 HD23 LEU A 51 39.622 -39.224 -75.107 1.00 4.34 H new ATOM 759 N ILE A 52 42.116 -40.849 -73.773 1.00 11.11 N ATOM 760 CA ILE A 52 43.133 -40.305 -74.664 1.00 24.12 C ATOM 761 C ILE A 52 43.375 -41.230 -75.852 1.00 54.32 C ATOM 762 O ILE A 52 43.858 -42.349 -75.692 1.00 65.41 O ATOM 763 CB ILE A 52 44.466 -40.079 -73.925 1.00 53.11 C ATOM 764 CG1 ILE A 52 45.583 -39.775 -74.925 1.00 42.10 C ATOM 765 CG2 ILE A 52 44.818 -41.296 -73.083 1.00 32.01 C ATOM 766 CD1 ILE A 52 46.531 -40.934 -75.143 1.00 13.40 C ATOM 0 H ILE A 52 42.265 -41.822 -73.506 1.00 11.11 H new ATOM 0 HA ILE A 52 42.758 -39.347 -75.023 1.00 24.12 H new ATOM 0 HB ILE A 52 44.355 -39.222 -73.261 1.00 53.11 H new ATOM 0 HG12 ILE A 52 45.138 -39.495 -75.880 1.00 42.10 H new ATOM 0 HG13 ILE A 52 46.150 -38.913 -74.573 1.00 42.10 H new ATOM 0 HG21 ILE A 52 45.762 -41.121 -72.567 1.00 32.01 H new ATOM 0 HG22 ILE A 52 44.031 -41.471 -72.350 1.00 32.01 H new ATOM 0 HG23 ILE A 52 44.914 -42.169 -73.728 1.00 32.01 H new ATOM 0 HD11 ILE A 52 47.297 -40.647 -75.864 1.00 13.40 H new ATOM 0 HD12 ILE A 52 47.004 -41.200 -74.198 1.00 13.40 H new ATOM 0 HD13 ILE A 52 45.976 -41.791 -75.525 1.00 13.40 H new ATOM 778 N ASN A 53 43.035 -40.752 -77.045 1.00 42.01 N ATOM 779 CA ASN A 53 43.216 -41.535 -78.262 1.00 20.42 C ATOM 780 C ASN A 53 44.259 -40.894 -79.172 1.00 24.13 C ATOM 781 O ASN A 53 43.970 -39.932 -79.884 1.00 20.42 O ATOM 782 CB ASN A 53 41.887 -41.672 -79.008 1.00 2.51 C ATOM 783 CG ASN A 53 40.803 -40.787 -78.424 1.00 11.24 C ATOM 784 OD1 ASN A 53 40.935 -39.563 -78.392 1.00 33.20 O ATOM 785 ND2 ASN A 53 39.723 -41.404 -77.957 1.00 45.22 N ATOM 0 H ASN A 53 42.633 -39.827 -77.195 1.00 42.01 H new ATOM 0 HA ASN A 53 43.569 -42.526 -77.977 1.00 20.42 H new ATOM 0 HB2 ASN A 53 42.034 -41.417 -80.057 1.00 2.51 H new ATOM 0 HB3 ASN A 53 41.561 -42.711 -78.975 1.00 2.51 H new ATOM 0 HD21 ASN A 53 38.961 -40.861 -77.552 1.00 45.22 H new ATOM 0 HD22 ASN A 53 39.656 -42.421 -78.004 1.00 45.22 H new ATOM 792 N ASP A 54 45.473 -41.433 -79.143 1.00 20.52 N ATOM 793 CA ASP A 54 46.560 -40.916 -79.966 1.00 12.41 C ATOM 794 C ASP A 54 46.287 -41.165 -81.446 1.00 14.41 C ATOM 795 O ASP A 54 46.624 -40.342 -82.297 1.00 3.43 O ATOM 796 CB ASP A 54 47.886 -41.563 -79.563 1.00 51.53 C ATOM 797 CG ASP A 54 48.875 -40.557 -79.006 1.00 72.52 C ATOM 798 OD1 ASP A 54 48.486 -39.774 -78.115 1.00 74.03 O ATOM 799 OD2 ASP A 54 50.038 -40.554 -79.462 1.00 12.22 O ATOM 0 H ASP A 54 45.729 -42.228 -78.558 1.00 20.52 H new ATOM 0 HA ASP A 54 46.626 -39.840 -79.803 1.00 12.41 H new ATOM 0 HB2 ASP A 54 47.698 -42.335 -78.817 1.00 51.53 H new ATOM 0 HB3 ASP A 54 48.324 -42.057 -80.430 1.00 51.53 H new ATOM 804 N SER A 55 45.674 -42.306 -81.746 1.00 3.43 N ATOM 805 CA SER A 55 45.360 -42.666 -83.123 1.00 42.44 C ATOM 806 C SER A 55 46.634 -42.808 -83.951 1.00 73.43 C ATOM 807 O SER A 55 47.685 -42.278 -83.591 1.00 41.11 O ATOM 808 CB SER A 55 44.445 -41.613 -83.752 1.00 1.11 C ATOM 809 OG SER A 55 44.747 -41.429 -85.124 1.00 40.32 O ATOM 0 H SER A 55 45.385 -42.997 -81.053 1.00 3.43 H new ATOM 0 HA SER A 55 44.844 -43.626 -83.113 1.00 42.44 H new ATOM 0 HB2 SER A 55 43.405 -41.919 -83.643 1.00 1.11 H new ATOM 0 HB3 SER A 55 44.556 -40.667 -83.222 1.00 1.11 H new ATOM 0 HG SER A 55 44.148 -40.753 -85.503 1.00 40.32 H new ATOM 815 N HIS A 56 46.531 -43.529 -85.063 1.00 63.45 N ATOM 816 CA HIS A 56 47.674 -43.743 -85.944 1.00 42.53 C ATOM 817 C HIS A 56 47.401 -43.178 -87.335 1.00 72.22 C ATOM 818 O HIS A 56 46.638 -43.754 -88.111 1.00 53.45 O ATOM 819 CB HIS A 56 47.999 -45.233 -86.041 1.00 24.41 C ATOM 820 CG HIS A 56 49.436 -45.514 -86.356 1.00 44.33 C ATOM 821 ND1 HIS A 56 49.836 -46.262 -87.443 1.00 63.21 N ATOM 822 CD2 HIS A 56 50.572 -45.140 -85.721 1.00 15.41 C ATOM 823 CE1 HIS A 56 51.155 -46.338 -87.462 1.00 1.23 C ATOM 824 NE2 HIS A 56 51.626 -45.664 -86.427 1.00 74.44 N ATOM 0 H HIS A 56 45.668 -43.975 -85.375 1.00 63.45 H new ATOM 0 HA HIS A 56 48.531 -43.219 -85.520 1.00 42.53 H new ATOM 0 HB2 HIS A 56 47.742 -45.715 -85.098 1.00 24.41 H new ATOM 0 HB3 HIS A 56 47.372 -45.684 -86.810 1.00 24.41 H new ATOM 0 HD2 HIS A 56 50.637 -44.540 -84.825 1.00 15.41 H new ATOM 0 HE1 HIS A 56 51.747 -46.862 -88.198 1.00 1.23 H new ATOM 0 HE2 HIS A 56 52.612 -45.552 -86.191 1.00 74.44 H new ATOM 1069 N THR A 75 49.045 -49.911 -78.592 1.00 21.15 N ATOM 1070 CA THR A 75 47.827 -49.240 -78.155 1.00 61.13 C ATOM 1071 C THR A 75 48.051 -47.740 -78.002 1.00 34.01 C ATOM 1072 O THR A 75 49.006 -47.307 -77.356 1.00 34.21 O ATOM 1073 CB THR A 75 47.319 -49.811 -76.818 1.00 22.31 C ATOM 1074 OG1 THR A 75 47.910 -49.099 -75.725 1.00 54.11 O ATOM 1075 CG2 THR A 75 47.649 -51.292 -76.702 1.00 11.11 C ATOM 0 HA THR A 75 47.076 -49.416 -78.925 1.00 61.13 H new ATOM 0 HB THR A 75 46.236 -49.692 -76.786 1.00 22.31 H new ATOM 0 HG1 THR A 75 48.796 -48.774 -75.987 1.00 54.11 H new ATOM 0 HG21 THR A 75 47.281 -51.673 -75.750 1.00 11.11 H new ATOM 0 HG22 THR A 75 47.174 -51.836 -77.519 1.00 11.11 H new ATOM 0 HG23 THR A 75 48.729 -51.429 -76.754 1.00 11.11 H new ATOM 1083 N HIS A 76 47.164 -46.950 -78.599 1.00 72.11 N ATOM 1084 CA HIS A 76 47.264 -45.497 -78.527 1.00 40.33 C ATOM 1085 C HIS A 76 46.030 -44.899 -77.858 1.00 21.54 C ATOM 1086 O HIS A 76 46.029 -43.733 -77.462 1.00 71.51 O ATOM 1087 CB HIS A 76 47.435 -44.906 -79.927 1.00 71.43 C ATOM 1088 CG HIS A 76 48.865 -44.782 -80.355 1.00 30.25 C ATOM 1089 ND1 HIS A 76 49.912 -45.336 -79.649 1.00 61.40 N ATOM 1090 CD2 HIS A 76 49.419 -44.164 -81.423 1.00 41.35 C ATOM 1091 CE1 HIS A 76 51.049 -45.063 -80.265 1.00 15.25 C ATOM 1092 NE2 HIS A 76 50.777 -44.352 -81.344 1.00 71.55 N ATOM 0 H HIS A 76 46.368 -47.292 -79.138 1.00 72.11 H new ATOM 0 HA HIS A 76 48.138 -45.248 -77.926 1.00 40.33 H new ATOM 0 HB2 HIS A 76 46.903 -45.531 -80.644 1.00 71.43 H new ATOM 0 HB3 HIS A 76 46.969 -43.921 -79.956 1.00 71.43 H new ATOM 0 HD1 HIS A 76 49.823 -45.873 -78.786 1.00 61.40 H new ATOM 0 HD2 HIS A 76 48.891 -43.623 -82.195 1.00 41.35 H new ATOM 0 HE1 HIS A 76 52.033 -45.369 -79.941 1.00 15.25 H new ATOM 1100 N PHE A 77 44.981 -45.706 -77.734 1.00 40.23 N ATOM 1101 CA PHE A 77 43.740 -45.256 -77.114 1.00 61.51 C ATOM 1102 C PHE A 77 43.501 -45.978 -75.791 1.00 11.10 C ATOM 1103 O PHE A 77 43.683 -47.191 -75.692 1.00 21.44 O ATOM 1104 CB PHE A 77 42.559 -45.493 -78.058 1.00 11.24 C ATOM 1105 CG PHE A 77 41.228 -45.500 -77.362 1.00 11.24 C ATOM 1106 CD1 PHE A 77 40.812 -44.404 -76.623 1.00 54.12 C ATOM 1107 CD2 PHE A 77 40.393 -46.603 -77.446 1.00 2.45 C ATOM 1108 CE1 PHE A 77 39.587 -44.407 -75.982 1.00 2.22 C ATOM 1109 CE2 PHE A 77 39.168 -46.611 -76.807 1.00 33.13 C ATOM 1110 CZ PHE A 77 38.765 -45.512 -76.073 1.00 33.51 C ATOM 0 H PHE A 77 44.966 -46.674 -78.054 1.00 40.23 H new ATOM 0 HA PHE A 77 43.828 -44.188 -76.914 1.00 61.51 H new ATOM 0 HB2 PHE A 77 42.555 -44.718 -78.824 1.00 11.24 H new ATOM 0 HB3 PHE A 77 42.698 -46.446 -78.569 1.00 11.24 H new ATOM 0 HD1 PHE A 77 41.452 -43.537 -76.547 1.00 54.12 H new ATOM 0 HD2 PHE A 77 40.703 -47.466 -78.017 1.00 2.45 H new ATOM 0 HE1 PHE A 77 39.274 -43.546 -75.411 1.00 2.22 H new ATOM 0 HE2 PHE A 77 38.526 -47.476 -76.881 1.00 33.13 H new ATOM 0 HZ PHE A 77 37.809 -45.518 -75.571 1.00 33.51 H new ATOM 1120 N ARG A 78 43.092 -45.222 -74.777 1.00 44.12 N ATOM 1121 CA ARG A 78 42.830 -45.788 -73.459 1.00 51.24 C ATOM 1122 C ARG A 78 41.689 -45.048 -72.768 1.00 34.14 C ATOM 1123 O ARG A 78 41.556 -43.830 -72.896 1.00 74.30 O ATOM 1124 CB ARG A 78 44.090 -45.726 -72.594 1.00 62.54 C ATOM 1125 CG ARG A 78 44.316 -44.372 -71.942 1.00 71.22 C ATOM 1126 CD ARG A 78 45.798 -44.052 -71.821 1.00 74.24 C ATOM 1127 NE ARG A 78 46.497 -45.011 -70.970 1.00 11.54 N ATOM 1128 CZ ARG A 78 47.817 -45.037 -70.823 1.00 12.22 C ATOM 1129 NH1 ARG A 78 48.576 -44.162 -71.467 1.00 44.22 N ATOM 1130 NH2 ARG A 78 48.380 -45.940 -70.030 1.00 15.54 N ATOM 0 H ARG A 78 42.935 -44.216 -74.843 1.00 44.12 H new ATOM 0 HA ARG A 78 42.539 -46.830 -73.590 1.00 51.24 H new ATOM 0 HB2 ARG A 78 44.025 -46.487 -71.817 1.00 62.54 H new ATOM 0 HB3 ARG A 78 44.955 -45.972 -73.209 1.00 62.54 H new ATOM 0 HG2 ARG A 78 43.822 -43.597 -72.529 1.00 71.22 H new ATOM 0 HG3 ARG A 78 43.859 -44.363 -70.953 1.00 71.22 H new ATOM 0 HD2 ARG A 78 46.251 -44.050 -72.813 1.00 74.24 H new ATOM 0 HD3 ARG A 78 45.920 -43.049 -71.413 1.00 74.24 H new ATOM 0 HE ARG A 78 45.941 -45.698 -70.461 1.00 11.54 H new ATOM 0 HH11 ARG A 78 48.147 -43.466 -72.077 1.00 44.22 H new ATOM 0 HH12 ARG A 78 49.589 -44.184 -71.352 1.00 44.22 H new ATOM 0 HH21 ARG A 78 47.799 -46.615 -69.533 1.00 15.54 H new ATOM 0 HH22 ARG A 78 49.394 -45.959 -69.918 1.00 15.54 H new ATOM 1144 N LEU A 79 40.867 -45.792 -72.035 1.00 2.43 N ATOM 1145 CA LEU A 79 39.736 -45.207 -71.322 1.00 43.14 C ATOM 1146 C LEU A 79 39.678 -45.712 -69.884 1.00 64.14 C ATOM 1147 O LEU A 79 39.525 -46.909 -69.643 1.00 41.02 O ATOM 1148 CB LEU A 79 38.428 -45.537 -72.044 1.00 3.51 C ATOM 1149 CG LEU A 79 37.318 -44.491 -71.932 1.00 20.12 C ATOM 1150 CD1 LEU A 79 35.956 -45.135 -72.139 1.00 12.14 C ATOM 1151 CD2 LEU A 79 37.379 -43.791 -70.582 1.00 45.53 C ATOM 0 H LEU A 79 40.962 -46.801 -71.919 1.00 2.43 H new ATOM 0 HA LEU A 79 39.871 -44.126 -71.302 1.00 43.14 H new ATOM 0 HB2 LEU A 79 38.648 -45.692 -73.100 1.00 3.51 H new ATOM 0 HB3 LEU A 79 38.050 -46.482 -71.655 1.00 3.51 H new ATOM 0 HG LEU A 79 37.467 -43.745 -72.713 1.00 20.12 H new ATOM 0 HD11 LEU A 79 35.178 -44.376 -72.056 1.00 12.14 H new ATOM 0 HD12 LEU A 79 35.915 -45.590 -73.129 1.00 12.14 H new ATOM 0 HD13 LEU A 79 35.797 -45.902 -71.381 1.00 12.14 H new ATOM 0 HD21 LEU A 79 36.582 -43.050 -70.520 1.00 45.53 H new ATOM 0 HD22 LEU A 79 37.255 -44.525 -69.786 1.00 45.53 H new ATOM 0 HD23 LEU A 79 38.344 -43.296 -70.472 1.00 45.53 H new ATOM 1163 N GLU A 80 39.800 -44.791 -68.934 1.00 20.15 N ATOM 1164 CA GLU A 80 39.760 -45.144 -67.519 1.00 70.23 C ATOM 1165 C GLU A 80 38.922 -44.141 -66.731 1.00 45.15 C ATOM 1166 O GLU A 80 38.937 -42.943 -67.017 1.00 74.52 O ATOM 1167 CB GLU A 80 41.177 -45.204 -66.945 1.00 62.15 C ATOM 1168 CG GLU A 80 41.979 -43.933 -67.170 1.00 31.03 C ATOM 1169 CD GLU A 80 42.367 -43.251 -65.872 1.00 33.31 C ATOM 1170 OE1 GLU A 80 41.465 -42.731 -65.182 1.00 44.42 O ATOM 1171 OE2 GLU A 80 43.572 -43.239 -65.546 1.00 64.12 O ATOM 0 H GLU A 80 39.927 -43.796 -69.117 1.00 20.15 H new ATOM 0 HA GLU A 80 39.298 -46.127 -67.429 1.00 70.23 H new ATOM 0 HB2 GLU A 80 41.118 -45.402 -65.875 1.00 62.15 H new ATOM 0 HB3 GLU A 80 41.707 -46.043 -67.396 1.00 62.15 H new ATOM 0 HG2 GLU A 80 42.880 -44.172 -67.734 1.00 31.03 H new ATOM 0 HG3 GLU A 80 41.395 -43.242 -67.779 1.00 31.03 H new ATOM 1178 N VAL A 81 38.193 -44.639 -65.738 1.00 53.22 N ATOM 1179 CA VAL A 81 37.349 -43.787 -64.908 1.00 60.32 C ATOM 1180 C VAL A 81 37.578 -44.064 -63.426 1.00 43.45 C ATOM 1181 O VAL A 81 37.692 -45.216 -63.008 1.00 61.32 O ATOM 1182 CB VAL A 81 35.857 -43.989 -65.232 1.00 32.31 C ATOM 1183 CG1 VAL A 81 35.631 -43.985 -66.736 1.00 63.32 C ATOM 1184 CG2 VAL A 81 35.348 -45.282 -64.612 1.00 14.44 C ATOM 0 H VAL A 81 38.170 -45.628 -65.488 1.00 53.22 H new ATOM 0 HA VAL A 81 37.625 -42.756 -65.129 1.00 60.32 H new ATOM 0 HB VAL A 81 35.295 -43.160 -64.802 1.00 32.31 H new ATOM 0 HG11 VAL A 81 34.571 -44.129 -66.945 1.00 63.32 H new ATOM 0 HG12 VAL A 81 35.956 -43.031 -67.150 1.00 63.32 H new ATOM 0 HG13 VAL A 81 36.204 -44.792 -67.192 1.00 63.32 H new ATOM 0 HG21 VAL A 81 34.292 -45.409 -64.851 1.00 14.44 H new ATOM 0 HG22 VAL A 81 35.914 -46.124 -65.010 1.00 14.44 H new ATOM 0 HG23 VAL A 81 35.473 -45.240 -63.530 1.00 14.44 H new ATOM 1194 N THR A 82 37.645 -42.998 -62.635 1.00 11.33 N ATOM 1195 CA THR A 82 37.861 -43.124 -61.199 1.00 22.40 C ATOM 1196 C THR A 82 36.705 -42.516 -60.413 1.00 64.00 C ATOM 1197 O THR A 82 36.492 -41.304 -60.442 1.00 5.00 O ATOM 1198 CB THR A 82 39.175 -42.446 -60.767 1.00 14.33 C ATOM 1199 OG1 THR A 82 40.233 -42.815 -61.657 1.00 63.42 O ATOM 1200 CG2 THR A 82 39.543 -42.836 -59.343 1.00 73.53 C ATOM 0 H THR A 82 37.553 -42.037 -62.965 1.00 11.33 H new ATOM 0 HA THR A 82 37.923 -44.190 -60.981 1.00 22.40 H new ATOM 0 HB THR A 82 39.030 -41.366 -60.805 1.00 14.33 H new ATOM 0 HG1 THR A 82 41.064 -42.378 -61.376 1.00 63.42 H new ATOM 0 HG21 THR A 82 40.474 -42.345 -59.060 1.00 73.53 H new ATOM 0 HG22 THR A 82 38.749 -42.526 -58.664 1.00 73.53 H new ATOM 0 HG23 THR A 82 39.670 -43.917 -59.283 1.00 73.53 H new ATOM 1208 N SER A 83 35.962 -43.365 -59.711 1.00 12.24 N ATOM 1209 CA SER A 83 34.825 -42.910 -58.919 1.00 31.44 C ATOM 1210 C SER A 83 35.090 -43.101 -57.428 1.00 44.52 C ATOM 1211 O SER A 83 35.033 -44.218 -56.914 1.00 0.42 O ATOM 1212 CB SER A 83 33.559 -43.668 -59.323 1.00 71.04 C ATOM 1213 OG SER A 83 33.736 -44.331 -60.563 1.00 20.51 O ATOM 0 H SER A 83 36.126 -44.371 -59.674 1.00 12.24 H new ATOM 0 HA SER A 83 34.682 -41.847 -59.112 1.00 31.44 H new ATOM 0 HB2 SER A 83 33.305 -44.395 -58.551 1.00 71.04 H new ATOM 0 HB3 SER A 83 32.722 -42.973 -59.395 1.00 71.04 H new ATOM 0 HG SER A 83 32.873 -44.674 -60.876 1.00 20.51 H new ATOM 1219 N ASP A 84 35.381 -42.002 -56.741 1.00 0.42 N ATOM 1220 CA ASP A 84 35.655 -42.045 -55.309 1.00 73.41 C ATOM 1221 C ASP A 84 36.975 -42.757 -55.030 1.00 34.44 C ATOM 1222 O ASP A 84 37.322 -43.012 -53.877 1.00 1.42 O ATOM 1223 CB ASP A 84 34.515 -42.750 -54.572 1.00 12.34 C ATOM 1224 CG ASP A 84 33.151 -42.363 -55.109 1.00 41.41 C ATOM 1225 OD1 ASP A 84 32.882 -41.149 -55.226 1.00 14.43 O ATOM 1226 OD2 ASP A 84 32.354 -43.274 -55.414 1.00 14.30 O ATOM 0 H ASP A 84 35.433 -41.070 -57.152 1.00 0.42 H new ATOM 0 HA ASP A 84 35.732 -41.020 -54.947 1.00 73.41 H new ATOM 0 HB2 ASP A 84 34.643 -43.829 -54.658 1.00 12.34 H new ATOM 0 HB3 ASP A 84 34.567 -42.506 -53.511 1.00 12.34 H new ATOM 1231 N ALA A 85 37.705 -43.077 -56.093 1.00 20.53 N ATOM 1232 CA ALA A 85 38.987 -43.759 -55.962 1.00 33.32 C ATOM 1233 C ALA A 85 38.883 -44.946 -55.009 1.00 53.43 C ATOM 1234 O ALA A 85 39.196 -44.832 -53.824 1.00 31.20 O ATOM 1235 CB ALA A 85 40.055 -42.788 -55.483 1.00 10.51 C ATOM 0 H ALA A 85 37.431 -42.875 -57.054 1.00 20.53 H new ATOM 0 HA ALA A 85 39.270 -44.138 -56.944 1.00 33.32 H new ATOM 0 HB1 ALA A 85 41.007 -43.311 -55.390 1.00 10.51 H new ATOM 0 HB2 ALA A 85 40.157 -41.975 -56.202 1.00 10.51 H new ATOM 0 HB3 ALA A 85 39.768 -42.381 -54.513 1.00 10.51 H new ATOM 1241 N PHE A 86 38.440 -46.083 -55.535 1.00 22.25 N ATOM 1242 CA PHE A 86 38.293 -47.291 -54.730 1.00 1.50 C ATOM 1243 C PHE A 86 37.736 -48.438 -55.568 1.00 12.34 C ATOM 1244 O PHE A 86 36.525 -48.657 -55.614 1.00 41.24 O ATOM 1245 CB PHE A 86 37.376 -47.024 -53.535 1.00 15.11 C ATOM 1246 CG PHE A 86 38.101 -46.976 -52.221 1.00 4.12 C ATOM 1247 CD1 PHE A 86 38.925 -48.020 -51.831 1.00 2.51 C ATOM 1248 CD2 PHE A 86 37.960 -45.887 -51.376 1.00 23.13 C ATOM 1249 CE1 PHE A 86 39.594 -47.978 -50.622 1.00 35.11 C ATOM 1250 CE2 PHE A 86 38.626 -45.840 -50.166 1.00 5.14 C ATOM 1251 CZ PHE A 86 39.445 -46.886 -49.789 1.00 20.52 C ATOM 0 H PHE A 86 38.177 -46.194 -56.514 1.00 22.25 H new ATOM 0 HA PHE A 86 39.279 -47.577 -54.365 1.00 1.50 H new ATOM 0 HB2 PHE A 86 36.858 -46.078 -53.689 1.00 15.11 H new ATOM 0 HB3 PHE A 86 36.613 -47.802 -53.492 1.00 15.11 H new ATOM 0 HD1 PHE A 86 39.046 -48.876 -52.479 1.00 2.51 H new ATOM 0 HD2 PHE A 86 37.322 -45.065 -51.666 1.00 23.13 H new ATOM 0 HE1 PHE A 86 40.233 -48.798 -50.329 1.00 35.11 H new ATOM 0 HE2 PHE A 86 38.506 -44.986 -49.516 1.00 5.14 H new ATOM 0 HZ PHE A 86 39.968 -46.850 -48.845 1.00 20.52 H new ATOM 1261 N LYS A 87 38.628 -49.167 -56.229 1.00 31.32 N ATOM 1262 CA LYS A 87 38.228 -50.293 -57.065 1.00 0.11 C ATOM 1263 C LYS A 87 37.783 -51.475 -56.210 1.00 25.15 C ATOM 1264 O LYS A 87 38.426 -51.812 -55.216 1.00 44.51 O ATOM 1265 CB LYS A 87 39.384 -50.715 -57.975 1.00 53.52 C ATOM 1266 CG LYS A 87 39.286 -52.152 -58.456 1.00 21.01 C ATOM 1267 CD LYS A 87 40.042 -53.099 -57.539 1.00 33.11 C ATOM 1268 CE LYS A 87 41.323 -53.600 -58.188 1.00 73.03 C ATOM 1269 NZ LYS A 87 42.326 -54.032 -57.176 1.00 34.12 N ATOM 0 H LYS A 87 39.634 -48.998 -56.202 1.00 31.32 H new ATOM 0 HA LYS A 87 37.386 -49.975 -57.680 1.00 0.11 H new ATOM 0 HB2 LYS A 87 39.415 -50.052 -58.840 1.00 53.52 H new ATOM 0 HB3 LYS A 87 40.324 -50.583 -57.439 1.00 53.52 H new ATOM 0 HG2 LYS A 87 38.239 -52.450 -58.505 1.00 21.01 H new ATOM 0 HG3 LYS A 87 39.686 -52.226 -59.467 1.00 21.01 H new ATOM 0 HD2 LYS A 87 40.281 -52.590 -56.606 1.00 33.11 H new ATOM 0 HD3 LYS A 87 39.406 -53.947 -57.286 1.00 33.11 H new ATOM 0 HE2 LYS A 87 41.092 -54.435 -58.850 1.00 73.03 H new ATOM 0 HE3 LYS A 87 41.749 -52.811 -58.807 1.00 73.03 H new ATOM 0 HZ1 LYS A 87 43.184 -54.366 -57.659 1.00 34.12 H new ATOM 0 HZ2 LYS A 87 42.566 -53.229 -56.560 1.00 34.12 H new ATOM 0 HZ3 LYS A 87 41.929 -54.803 -56.601 1.00 34.12 H new ATOM 1283 N GLY A 88 36.680 -52.103 -56.603 1.00 74.15 N ATOM 1284 CA GLY A 88 36.169 -53.242 -55.862 1.00 43.34 C ATOM 1285 C GLY A 88 35.236 -54.102 -56.691 1.00 53.40 C ATOM 1286 O GLY A 88 35.278 -55.330 -56.613 1.00 34.21 O ATOM 0 H GLY A 88 36.130 -51.844 -57.422 1.00 74.15 H new ATOM 0 HA2 GLY A 88 37.004 -53.849 -55.514 1.00 43.34 H new ATOM 0 HA3 GLY A 88 35.641 -52.888 -54.976 1.00 43.34 H new ATOM 1290 N LEU A 89 34.389 -53.456 -57.486 1.00 64.41 N ATOM 1291 CA LEU A 89 33.439 -54.170 -58.332 1.00 62.22 C ATOM 1292 C LEU A 89 34.002 -54.368 -59.736 1.00 71.10 C ATOM 1293 O LEU A 89 34.920 -53.662 -60.154 1.00 64.43 O ATOM 1294 CB LEU A 89 32.116 -53.406 -58.404 1.00 31.22 C ATOM 1295 CG LEU A 89 32.194 -51.979 -58.946 1.00 13.52 C ATOM 1296 CD1 LEU A 89 32.174 -51.983 -60.466 1.00 54.14 C ATOM 1297 CD2 LEU A 89 31.050 -51.137 -58.398 1.00 22.11 C ATOM 0 H LEU A 89 34.341 -52.440 -57.562 1.00 64.41 H new ATOM 0 HA LEU A 89 33.262 -55.150 -57.890 1.00 62.22 H new ATOM 0 HB2 LEU A 89 31.425 -53.973 -59.028 1.00 31.22 H new ATOM 0 HB3 LEU A 89 31.685 -53.370 -57.403 1.00 31.22 H new ATOM 0 HG LEU A 89 33.134 -51.537 -58.617 1.00 13.52 H new ATOM 0 HD11 LEU A 89 32.230 -50.958 -60.833 1.00 54.14 H new ATOM 0 HD12 LEU A 89 33.027 -52.550 -60.840 1.00 54.14 H new ATOM 0 HD13 LEU A 89 31.250 -52.444 -60.817 1.00 54.14 H new ATOM 0 HD21 LEU A 89 31.121 -50.124 -58.794 1.00 22.11 H new ATOM 0 HD22 LEU A 89 30.099 -51.577 -58.697 1.00 22.11 H new ATOM 0 HD23 LEU A 89 31.110 -51.106 -57.310 1.00 22.11 H new ATOM 1309 N THR A 90 33.443 -55.332 -60.462 1.00 24.14 N ATOM 1310 CA THR A 90 33.888 -55.622 -61.819 1.00 22.43 C ATOM 1311 C THR A 90 33.995 -54.347 -62.647 1.00 75.21 C ATOM 1312 O THR A 90 32.983 -53.765 -63.042 1.00 64.01 O ATOM 1313 CB THR A 90 32.933 -56.602 -62.526 1.00 34.14 C ATOM 1314 OG1 THR A 90 31.661 -55.979 -62.737 1.00 35.34 O ATOM 1315 CG2 THR A 90 32.752 -57.870 -61.704 1.00 43.23 C ATOM 0 H THR A 90 32.681 -55.925 -60.132 1.00 24.14 H new ATOM 0 HA THR A 90 34.873 -56.082 -61.737 1.00 22.43 H new ATOM 0 HB THR A 90 33.370 -56.871 -63.488 1.00 34.14 H new ATOM 0 HG1 THR A 90 31.765 -55.005 -62.710 1.00 35.34 H new ATOM 0 HG21 THR A 90 32.074 -58.547 -62.224 1.00 43.23 H new ATOM 0 HG22 THR A 90 33.718 -58.357 -61.569 1.00 43.23 H new ATOM 0 HG23 THR A 90 32.335 -57.616 -60.730 1.00 43.23 H new ATOM 1323 N LEU A 91 35.224 -53.918 -62.908 1.00 42.30 N ATOM 1324 CA LEU A 91 35.463 -52.710 -63.691 1.00 72.33 C ATOM 1325 C LEU A 91 34.725 -52.772 -65.025 1.00 11.42 C ATOM 1326 O LEU A 91 34.345 -51.743 -65.584 1.00 41.31 O ATOM 1327 CB LEU A 91 36.962 -52.523 -63.933 1.00 33.40 C ATOM 1328 CG LEU A 91 37.607 -53.491 -64.925 1.00 24.40 C ATOM 1329 CD1 LEU A 91 38.922 -52.928 -65.443 1.00 15.44 C ATOM 1330 CD2 LEU A 91 37.826 -54.851 -64.278 1.00 24.13 C ATOM 0 H LEU A 91 36.071 -54.388 -62.589 1.00 42.30 H new ATOM 0 HA LEU A 91 35.084 -51.859 -63.125 1.00 72.33 H new ATOM 0 HB2 LEU A 91 37.128 -51.506 -64.288 1.00 33.40 H new ATOM 0 HB3 LEU A 91 37.478 -52.616 -62.978 1.00 33.40 H new ATOM 0 HG LEU A 91 36.931 -53.617 -65.771 1.00 24.40 H new ATOM 0 HD11 LEU A 91 39.366 -53.631 -66.148 1.00 15.44 H new ATOM 0 HD12 LEU A 91 38.738 -51.978 -65.945 1.00 15.44 H new ATOM 0 HD13 LEU A 91 39.605 -52.771 -64.608 1.00 15.44 H new ATOM 0 HD21 LEU A 91 38.286 -55.527 -64.999 1.00 24.13 H new ATOM 0 HD22 LEU A 91 38.481 -54.742 -63.414 1.00 24.13 H new ATOM 0 HD23 LEU A 91 36.868 -55.260 -63.957 1.00 24.13 H new ATOM 1342 N VAL A 92 34.523 -53.985 -65.528 1.00 70.14 N ATOM 1343 CA VAL A 92 33.827 -54.181 -66.795 1.00 23.34 C ATOM 1344 C VAL A 92 32.426 -53.583 -66.750 1.00 33.20 C ATOM 1345 O VAL A 92 31.840 -53.268 -67.786 1.00 13.32 O ATOM 1346 CB VAL A 92 33.725 -55.676 -67.153 1.00 14.21 C ATOM 1347 CG1 VAL A 92 35.105 -56.314 -67.180 1.00 71.55 C ATOM 1348 CG2 VAL A 92 32.814 -56.397 -66.171 1.00 72.30 C ATOM 0 H VAL A 92 34.831 -54.847 -65.078 1.00 70.14 H new ATOM 0 HA VAL A 92 34.412 -53.671 -67.561 1.00 23.34 H new ATOM 0 HB VAL A 92 33.291 -55.765 -68.149 1.00 14.21 H new ATOM 0 HG11 VAL A 92 35.013 -57.370 -67.435 1.00 71.55 H new ATOM 0 HG12 VAL A 92 35.723 -55.814 -67.926 1.00 71.55 H new ATOM 0 HG13 VAL A 92 35.570 -56.217 -66.199 1.00 71.55 H new ATOM 0 HG21 VAL A 92 32.753 -57.452 -66.438 1.00 72.30 H new ATOM 0 HG22 VAL A 92 33.217 -56.301 -65.163 1.00 72.30 H new ATOM 0 HG23 VAL A 92 31.818 -55.955 -66.207 1.00 72.30 H new ATOM 1358 N LYS A 93 31.892 -53.429 -65.543 1.00 24.12 N ATOM 1359 CA LYS A 93 30.559 -52.867 -65.361 1.00 5.23 C ATOM 1360 C LYS A 93 30.528 -51.398 -65.772 1.00 74.30 C ATOM 1361 O LYS A 93 29.657 -50.976 -66.533 1.00 61.14 O ATOM 1362 CB LYS A 93 30.119 -53.009 -63.902 1.00 54.41 C ATOM 1363 CG LYS A 93 28.827 -52.276 -63.583 1.00 75.44 C ATOM 1364 CD LYS A 93 29.085 -51.015 -62.777 1.00 51.42 C ATOM 1365 CE LYS A 93 27.894 -50.659 -61.901 1.00 34.53 C ATOM 1366 NZ LYS A 93 27.865 -51.467 -60.650 1.00 32.11 N ATOM 0 H LYS A 93 32.363 -53.686 -64.675 1.00 24.12 H new ATOM 0 HA LYS A 93 29.868 -53.419 -65.998 1.00 5.23 H new ATOM 0 HB2 LYS A 93 29.994 -54.067 -63.670 1.00 54.41 H new ATOM 0 HB3 LYS A 93 30.910 -52.632 -63.254 1.00 54.41 H new ATOM 0 HG2 LYS A 93 28.316 -52.018 -64.510 1.00 75.44 H new ATOM 0 HG3 LYS A 93 28.162 -52.935 -63.025 1.00 75.44 H new ATOM 0 HD2 LYS A 93 29.968 -51.155 -62.153 1.00 51.42 H new ATOM 0 HD3 LYS A 93 29.301 -50.188 -63.453 1.00 51.42 H new ATOM 0 HE2 LYS A 93 27.933 -49.599 -61.648 1.00 34.53 H new ATOM 0 HE3 LYS A 93 26.972 -50.820 -62.459 1.00 34.53 H new ATOM 0 HZ1 LYS A 93 26.881 -51.584 -60.335 1.00 32.11 H new ATOM 0 HZ2 LYS A 93 28.284 -52.402 -60.831 1.00 32.11 H new ATOM 0 HZ3 LYS A 93 28.410 -50.981 -59.910 1.00 32.11 H new ATOM 1380 N ARG A 94 31.482 -50.626 -65.265 1.00 4.52 N ATOM 1381 CA ARG A 94 31.563 -49.204 -65.580 1.00 61.41 C ATOM 1382 C ARG A 94 31.889 -48.993 -67.056 1.00 11.54 C ATOM 1383 O ARG A 94 31.243 -48.196 -67.737 1.00 15.11 O ATOM 1384 CB ARG A 94 32.623 -48.527 -64.710 1.00 45.32 C ATOM 1385 CG ARG A 94 32.339 -47.059 -64.436 1.00 41.00 C ATOM 1386 CD ARG A 94 31.161 -46.887 -63.490 1.00 23.14 C ATOM 1387 NE ARG A 94 30.637 -45.524 -63.511 1.00 34.34 N ATOM 1388 CZ ARG A 94 29.486 -45.171 -62.948 1.00 44.10 C ATOM 1389 NH1 ARG A 94 28.745 -46.075 -62.323 1.00 72.12 N ATOM 1390 NH2 ARG A 94 29.076 -43.911 -63.009 1.00 41.53 N ATOM 0 H ARG A 94 32.210 -50.960 -64.634 1.00 4.52 H new ATOM 0 HA ARG A 94 30.592 -48.755 -65.372 1.00 61.41 H new ATOM 0 HB2 ARG A 94 32.695 -49.058 -63.761 1.00 45.32 H new ATOM 0 HB3 ARG A 94 33.593 -48.616 -65.199 1.00 45.32 H new ATOM 0 HG2 ARG A 94 33.224 -46.590 -64.006 1.00 41.00 H new ATOM 0 HG3 ARG A 94 32.131 -46.546 -65.375 1.00 41.00 H new ATOM 0 HD2 ARG A 94 30.370 -47.584 -63.766 1.00 23.14 H new ATOM 0 HD3 ARG A 94 31.470 -47.141 -62.476 1.00 23.14 H new ATOM 0 HE ARG A 94 31.184 -44.804 -63.983 1.00 34.34 H new ATOM 0 HH11 ARG A 94 29.058 -47.045 -62.273 1.00 72.12 H new ATOM 0 HH12 ARG A 94 27.862 -45.801 -61.892 1.00 72.12 H new ATOM 0 HH21 ARG A 94 29.644 -43.212 -63.488 1.00 41.53 H new ATOM 0 HH22 ARG A 94 28.193 -43.641 -62.577 1.00 41.53 H new ATOM 1404 N HIS A 95 32.896 -49.711 -67.543 1.00 52.51 N ATOM 1405 CA HIS A 95 33.308 -49.601 -68.938 1.00 74.31 C ATOM 1406 C HIS A 95 32.172 -50.007 -69.873 1.00 42.21 C ATOM 1407 O HIS A 95 32.027 -49.454 -70.963 1.00 60.31 O ATOM 1408 CB HIS A 95 34.535 -50.474 -69.199 1.00 64.22 C ATOM 1409 CG HIS A 95 34.515 -51.153 -70.534 1.00 40.44 C ATOM 1410 ND1 HIS A 95 34.491 -52.523 -70.682 1.00 22.42 N ATOM 1411 CD2 HIS A 95 34.513 -50.641 -71.787 1.00 42.25 C ATOM 1412 CE1 HIS A 95 34.477 -52.826 -71.968 1.00 4.52 C ATOM 1413 NE2 HIS A 95 34.490 -51.701 -72.660 1.00 52.22 N ATOM 0 H HIS A 95 33.441 -50.375 -66.993 1.00 52.51 H new ATOM 0 HA HIS A 95 33.563 -48.560 -69.135 1.00 74.31 H new ATOM 0 HB2 HIS A 95 35.431 -49.857 -69.128 1.00 64.22 H new ATOM 0 HB3 HIS A 95 34.605 -51.230 -68.417 1.00 64.22 H new ATOM 0 HD2 HIS A 95 34.527 -49.594 -72.051 1.00 42.25 H new ATOM 0 HE1 HIS A 95 34.458 -53.823 -72.383 1.00 4.52 H new ATOM 0 HE2 HIS A 95 34.484 -51.631 -73.678 1.00 52.22 H new ATOM 1421 N GLN A 96 31.372 -50.975 -69.439 1.00 13.11 N ATOM 1422 CA GLN A 96 30.251 -51.455 -70.238 1.00 53.45 C ATOM 1423 C GLN A 96 29.113 -50.439 -70.246 1.00 0.05 C ATOM 1424 O GLN A 96 28.395 -50.302 -71.237 1.00 41.11 O ATOM 1425 CB GLN A 96 29.750 -52.796 -69.700 1.00 13.33 C ATOM 1426 CG GLN A 96 28.477 -53.284 -70.372 1.00 61.45 C ATOM 1427 CD GLN A 96 28.463 -54.787 -70.574 1.00 4.11 C ATOM 1428 OE1 GLN A 96 29.143 -55.527 -69.862 1.00 1.53 O ATOM 1429 NE2 GLN A 96 27.687 -55.247 -71.548 1.00 40.10 N ATOM 0 H GLN A 96 31.479 -51.442 -68.539 1.00 13.11 H new ATOM 0 HA GLN A 96 30.600 -51.590 -71.262 1.00 53.45 H new ATOM 0 HB2 GLN A 96 30.531 -53.545 -69.832 1.00 13.33 H new ATOM 0 HB3 GLN A 96 29.573 -52.705 -68.628 1.00 13.33 H new ATOM 0 HG2 GLN A 96 27.618 -52.994 -69.767 1.00 61.45 H new ATOM 0 HG3 GLN A 96 28.368 -52.790 -71.338 1.00 61.45 H new ATOM 0 HE21 GLN A 96 27.140 -54.598 -72.114 1.00 40.10 H new ATOM 0 HE22 GLN A 96 27.638 -56.249 -71.730 1.00 40.10 H new ATOM 1438 N LEU A 97 28.953 -49.729 -69.134 1.00 65.20 N ATOM 1439 CA LEU A 97 27.902 -48.725 -69.012 1.00 21.34 C ATOM 1440 C LEU A 97 28.088 -47.614 -70.040 1.00 0.04 C ATOM 1441 O LEU A 97 27.162 -47.277 -70.778 1.00 62.45 O ATOM 1442 CB LEU A 97 27.896 -48.135 -67.601 1.00 14.44 C ATOM 1443 CG LEU A 97 27.168 -48.953 -66.534 1.00 21.25 C ATOM 1444 CD1 LEU A 97 27.350 -48.323 -65.161 1.00 75.04 C ATOM 1445 CD2 LEU A 97 25.690 -49.079 -66.873 1.00 41.05 C ATOM 0 H LEU A 97 29.538 -49.830 -68.304 1.00 65.20 H new ATOM 0 HA LEU A 97 26.945 -49.211 -69.200 1.00 21.34 H new ATOM 0 HB2 LEU A 97 28.929 -47.997 -67.282 1.00 14.44 H new ATOM 0 HB3 LEU A 97 27.441 -47.145 -67.645 1.00 14.44 H new ATOM 0 HG LEU A 97 27.602 -49.953 -66.513 1.00 21.25 H new ATOM 0 HD11 LEU A 97 26.825 -48.919 -64.415 1.00 75.04 H new ATOM 0 HD12 LEU A 97 28.411 -48.287 -64.915 1.00 75.04 H new ATOM 0 HD13 LEU A 97 26.944 -47.311 -65.168 1.00 75.04 H new ATOM 0 HD21 LEU A 97 25.189 -49.664 -66.102 1.00 41.05 H new ATOM 0 HD22 LEU A 97 25.242 -48.086 -66.924 1.00 41.05 H new ATOM 0 HD23 LEU A 97 25.579 -49.577 -67.836 1.00 41.05 H new ATOM 1457 N ILE A 98 29.290 -47.050 -70.082 1.00 42.34 N ATOM 1458 CA ILE A 98 29.598 -45.979 -71.022 1.00 50.02 C ATOM 1459 C ILE A 98 29.968 -46.539 -72.392 1.00 10.15 C ATOM 1460 O ILE A 98 29.791 -45.875 -73.414 1.00 20.54 O ATOM 1461 CB ILE A 98 30.752 -45.097 -70.512 1.00 4.51 C ATOM 1462 CG1 ILE A 98 32.016 -45.936 -70.313 1.00 72.41 C ATOM 1463 CG2 ILE A 98 30.358 -44.407 -69.214 1.00 64.12 C ATOM 1464 CD1 ILE A 98 33.189 -45.146 -69.776 1.00 55.02 C ATOM 0 H ILE A 98 30.066 -47.316 -69.476 1.00 42.34 H new ATOM 0 HA ILE A 98 28.698 -45.370 -71.112 1.00 50.02 H new ATOM 0 HB ILE A 98 30.961 -44.331 -71.259 1.00 4.51 H new ATOM 0 HG12 ILE A 98 31.795 -46.754 -69.627 1.00 72.41 H new ATOM 0 HG13 ILE A 98 32.297 -46.386 -71.265 1.00 72.41 H new ATOM 0 HG21 ILE A 98 31.184 -43.787 -68.866 1.00 64.12 H new ATOM 0 HG22 ILE A 98 29.482 -43.781 -69.386 1.00 64.12 H new ATOM 0 HG23 ILE A 98 30.125 -45.158 -68.459 1.00 64.12 H new ATOM 0 HD11 ILE A 98 34.049 -45.805 -69.660 1.00 55.02 H new ATOM 0 HD12 ILE A 98 33.437 -44.344 -70.472 1.00 55.02 H new ATOM 0 HD13 ILE A 98 32.927 -44.718 -68.808 1.00 55.02 H new ATOM 1476 N TYR A 99 30.481 -47.764 -72.404 1.00 73.25 N ATOM 1477 CA TYR A 99 30.876 -48.414 -73.648 1.00 64.03 C ATOM 1478 C TYR A 99 31.519 -47.414 -74.605 1.00 74.10 C ATOM 1479 O TYR A 99 31.195 -47.377 -75.791 1.00 65.15 O ATOM 1480 CB TYR A 99 29.665 -49.068 -74.314 1.00 73.13 C ATOM 1481 CG TYR A 99 28.486 -48.135 -74.476 1.00 33.40 C ATOM 1482 CD1 TYR A 99 27.527 -48.016 -73.477 1.00 4.12 C ATOM 1483 CD2 TYR A 99 28.329 -47.375 -75.628 1.00 2.51 C ATOM 1484 CE1 TYR A 99 26.448 -47.166 -73.620 1.00 41.42 C ATOM 1485 CE2 TYR A 99 27.254 -46.521 -75.779 1.00 50.42 C ATOM 1486 CZ TYR A 99 26.316 -46.420 -74.773 1.00 1.31 C ATOM 1487 OH TYR A 99 25.243 -45.571 -74.921 1.00 32.34 O ATOM 0 H TYR A 99 30.633 -48.327 -71.567 1.00 73.25 H new ATOM 0 HA TYR A 99 31.610 -49.184 -73.409 1.00 64.03 H new ATOM 0 HB2 TYR A 99 29.958 -49.443 -75.295 1.00 73.13 H new ATOM 0 HB3 TYR A 99 29.357 -49.930 -73.722 1.00 73.13 H new ATOM 0 HD1 TYR A 99 27.627 -48.598 -72.573 1.00 4.12 H new ATOM 0 HD2 TYR A 99 29.060 -47.453 -76.419 1.00 2.51 H new ATOM 0 HE1 TYR A 99 25.712 -47.086 -72.834 1.00 41.42 H new ATOM 0 HE2 TYR A 99 27.149 -45.935 -76.680 1.00 50.42 H new ATOM 0 HH TYR A 99 25.300 -45.120 -75.789 1.00 32.34 H new ATOM 1497 N GLY A 100 32.432 -46.604 -74.079 1.00 2.14 N ATOM 1498 CA GLY A 100 33.107 -45.615 -74.898 1.00 52.53 C ATOM 1499 C GLY A 100 34.128 -46.234 -75.831 1.00 43.35 C ATOM 1500 O GLY A 100 34.291 -45.789 -76.969 1.00 23.33 O ATOM 0 H GLY A 100 32.716 -46.615 -73.100 1.00 2.14 H new ATOM 0 HA2 GLY A 100 32.369 -45.068 -75.484 1.00 52.53 H new ATOM 0 HA3 GLY A 100 33.602 -44.890 -74.252 1.00 52.53 H new ATOM 1504 N LEU A 101 34.820 -47.261 -75.351 1.00 75.41 N ATOM 1505 CA LEU A 101 35.833 -47.942 -76.150 1.00 33.31 C ATOM 1506 C LEU A 101 35.237 -48.468 -77.452 1.00 51.20 C ATOM 1507 O LEU A 101 34.028 -48.381 -77.674 1.00 45.21 O ATOM 1508 CB LEU A 101 36.447 -49.096 -75.355 1.00 10.32 C ATOM 1509 CG LEU A 101 37.479 -48.706 -74.296 1.00 21.21 C ATOM 1510 CD1 LEU A 101 36.883 -48.822 -72.902 1.00 1.04 C ATOM 1511 CD2 LEU A 101 38.723 -49.573 -74.420 1.00 25.33 C ATOM 0 H LEU A 101 34.698 -47.641 -74.412 1.00 75.41 H new ATOM 0 HA LEU A 101 36.613 -47.221 -76.394 1.00 33.31 H new ATOM 0 HB2 LEU A 101 35.641 -49.642 -74.865 1.00 10.32 H new ATOM 0 HB3 LEU A 101 36.918 -49.784 -76.057 1.00 10.32 H new ATOM 0 HG LEU A 101 37.766 -47.667 -74.461 1.00 21.21 H new ATOM 0 HD11 LEU A 101 37.632 -48.541 -72.162 1.00 1.04 H new ATOM 0 HD12 LEU A 101 36.022 -48.159 -72.818 1.00 1.04 H new ATOM 0 HD13 LEU A 101 36.567 -49.850 -72.726 1.00 1.04 H new ATOM 0 HD21 LEU A 101 39.447 -49.282 -73.659 1.00 25.33 H new ATOM 0 HD22 LEU A 101 38.452 -50.620 -74.282 1.00 25.33 H new ATOM 0 HD23 LEU A 101 39.163 -49.439 -75.408 1.00 25.33 H new ATOM 1523 N LEU A 102 36.092 -49.015 -78.309 1.00 53.01 N ATOM 1524 CA LEU A 102 35.650 -49.558 -79.589 1.00 51.52 C ATOM 1525 C LEU A 102 35.044 -48.465 -80.464 1.00 1.42 C ATOM 1526 O LEU A 102 33.827 -48.282 -80.492 1.00 41.33 O ATOM 1527 CB LEU A 102 34.628 -50.674 -79.367 1.00 10.20 C ATOM 1528 CG LEU A 102 35.155 -52.103 -79.502 1.00 10.10 C ATOM 1529 CD1 LEU A 102 35.593 -52.377 -80.932 1.00 65.21 C ATOM 1530 CD2 LEU A 102 36.305 -52.341 -78.534 1.00 42.35 C ATOM 0 H LEU A 102 37.095 -49.094 -78.141 1.00 53.01 H new ATOM 0 HA LEU A 102 36.520 -49.968 -80.101 1.00 51.52 H new ATOM 0 HB2 LEU A 102 34.203 -50.557 -78.370 1.00 10.20 H new ATOM 0 HB3 LEU A 102 33.813 -50.540 -80.078 1.00 10.20 H new ATOM 0 HG LEU A 102 34.349 -52.793 -79.253 1.00 10.10 H new ATOM 0 HD11 LEU A 102 35.965 -53.399 -81.009 1.00 65.21 H new ATOM 0 HD12 LEU A 102 34.744 -52.248 -81.604 1.00 65.21 H new ATOM 0 HD13 LEU A 102 36.384 -51.681 -81.210 1.00 65.21 H new ATOM 0 HD21 LEU A 102 36.668 -53.363 -78.644 1.00 42.35 H new ATOM 0 HD22 LEU A 102 37.114 -51.644 -78.752 1.00 42.35 H new ATOM 0 HD23 LEU A 102 35.958 -52.187 -77.512 1.00 42.35 H new ATOM 1542 N SER A 103 35.901 -47.742 -81.178 1.00 3.02 N ATOM 1543 CA SER A 103 35.451 -46.666 -82.053 1.00 12.23 C ATOM 1544 C SER A 103 36.634 -46.003 -82.752 1.00 73.10 C ATOM 1545 O SER A 103 36.878 -46.234 -83.936 1.00 73.14 O ATOM 1546 CB SER A 103 34.668 -45.623 -81.252 1.00 74.43 C ATOM 1547 OG SER A 103 33.271 -45.838 -81.364 1.00 24.53 O ATOM 0 H SER A 103 36.911 -47.882 -81.168 1.00 3.02 H new ATOM 0 HA SER A 103 34.798 -47.097 -82.812 1.00 12.23 H new ATOM 0 HB2 SER A 103 34.963 -45.668 -80.204 1.00 74.43 H new ATOM 0 HB3 SER A 103 34.915 -44.624 -81.610 1.00 74.43 H new ATOM 0 HG SER A 103 33.059 -46.756 -81.093 1.00 24.53 H new ATOM 1553 N ASP A 104 37.365 -45.178 -82.010 1.00 72.34 N ATOM 1554 CA ASP A 104 38.523 -44.482 -82.557 1.00 43.25 C ATOM 1555 C ASP A 104 39.727 -45.414 -82.643 1.00 65.44 C ATOM 1556 O ASP A 104 40.542 -45.309 -83.560 1.00 13.41 O ATOM 1557 CB ASP A 104 38.866 -43.264 -81.698 1.00 30.23 C ATOM 1558 CG ASP A 104 39.930 -42.389 -82.331 1.00 74.01 C ATOM 1559 OD1 ASP A 104 39.578 -41.559 -83.196 1.00 10.25 O ATOM 1560 OD2 ASP A 104 41.114 -42.534 -81.962 1.00 14.32 O ATOM 0 H ASP A 104 37.176 -44.975 -81.028 1.00 72.34 H new ATOM 0 HA ASP A 104 38.272 -44.148 -83.564 1.00 43.25 H new ATOM 0 HB2 ASP A 104 37.965 -42.673 -81.534 1.00 30.23 H new ATOM 0 HB3 ASP A 104 39.210 -43.599 -80.719 1.00 30.23 H new ATOM 1565 N GLU A 105 39.833 -46.326 -81.682 1.00 23.32 N ATOM 1566 CA GLU A 105 40.939 -47.276 -81.649 1.00 4.23 C ATOM 1567 C GLU A 105 41.036 -48.044 -82.964 1.00 23.24 C ATOM 1568 O GLU A 105 42.131 -48.325 -83.452 1.00 70.12 O ATOM 1569 CB GLU A 105 40.766 -48.254 -80.485 1.00 63.21 C ATOM 1570 CG GLU A 105 40.727 -49.711 -80.915 1.00 45.14 C ATOM 1571 CD GLU A 105 40.563 -50.661 -79.745 1.00 10.21 C ATOM 1572 OE1 GLU A 105 39.874 -50.290 -78.772 1.00 23.15 O ATOM 1573 OE2 GLU A 105 41.123 -51.775 -79.803 1.00 63.51 O ATOM 0 H GLU A 105 39.167 -46.427 -80.916 1.00 23.32 H new ATOM 0 HA GLU A 105 41.863 -46.715 -81.508 1.00 4.23 H new ATOM 0 HB2 GLU A 105 41.585 -48.114 -79.779 1.00 63.21 H new ATOM 0 HB3 GLU A 105 39.844 -48.015 -79.955 1.00 63.21 H new ATOM 0 HG2 GLU A 105 39.904 -49.857 -81.615 1.00 45.14 H new ATOM 0 HG3 GLU A 105 41.646 -49.953 -81.448 1.00 45.14 H new ATOM 1580 N PHE A 106 39.883 -48.382 -83.531 1.00 41.21 N ATOM 1581 CA PHE A 106 39.837 -49.119 -84.788 1.00 73.23 C ATOM 1582 C PHE A 106 40.545 -48.347 -85.898 1.00 34.20 C ATOM 1583 O PHE A 106 41.136 -48.938 -86.802 1.00 75.21 O ATOM 1584 CB PHE A 106 38.386 -49.395 -85.189 1.00 60.10 C ATOM 1585 CG PHE A 106 38.233 -50.563 -86.121 1.00 44.12 C ATOM 1586 CD1 PHE A 106 38.206 -51.859 -85.631 1.00 3.40 C ATOM 1587 CD2 PHE A 106 38.116 -50.365 -87.487 1.00 43.05 C ATOM 1588 CE1 PHE A 106 38.067 -52.935 -86.487 1.00 13.23 C ATOM 1589 CE2 PHE A 106 37.976 -51.437 -88.348 1.00 61.42 C ATOM 1590 CZ PHE A 106 37.950 -52.724 -87.847 1.00 2.02 C ATOM 0 H PHE A 106 38.968 -48.157 -83.140 1.00 41.21 H new ATOM 0 HA PHE A 106 40.354 -50.068 -84.643 1.00 73.23 H new ATOM 0 HB2 PHE A 106 37.798 -49.578 -84.290 1.00 60.10 H new ATOM 0 HB3 PHE A 106 37.973 -48.505 -85.664 1.00 60.10 H new ATOM 0 HD1 PHE A 106 38.295 -52.030 -84.568 1.00 3.40 H new ATOM 0 HD2 PHE A 106 38.134 -49.361 -87.884 1.00 43.05 H new ATOM 0 HE1 PHE A 106 38.050 -53.940 -86.093 1.00 13.23 H new ATOM 0 HE2 PHE A 106 37.887 -51.269 -89.411 1.00 61.42 H new ATOM 0 HZ PHE A 106 37.838 -53.563 -88.517 1.00 2.02 H new ATOM 1600 N LYS A 107 40.480 -47.022 -85.823 1.00 31.22 N ATOM 1601 CA LYS A 107 41.114 -46.167 -86.819 1.00 2.02 C ATOM 1602 C LYS A 107 42.629 -46.150 -86.636 1.00 75.04 C ATOM 1603 O LYS A 107 43.370 -45.799 -87.554 1.00 14.52 O ATOM 1604 CB LYS A 107 40.562 -44.743 -86.724 1.00 5.32 C ATOM 1605 CG LYS A 107 41.080 -43.816 -87.811 1.00 34.32 C ATOM 1606 CD LYS A 107 40.039 -42.781 -88.202 1.00 51.34 C ATOM 1607 CE LYS A 107 39.816 -41.767 -87.091 1.00 14.03 C ATOM 1608 NZ LYS A 107 38.574 -42.053 -86.320 1.00 73.33 N ATOM 0 H LYS A 107 39.994 -46.517 -85.082 1.00 31.22 H new ATOM 0 HA LYS A 107 40.889 -46.572 -87.806 1.00 2.02 H new ATOM 0 HB2 LYS A 107 39.474 -44.780 -86.778 1.00 5.32 H new ATOM 0 HB3 LYS A 107 40.819 -44.327 -85.750 1.00 5.32 H new ATOM 0 HG2 LYS A 107 41.982 -43.313 -87.462 1.00 34.32 H new ATOM 0 HG3 LYS A 107 41.360 -44.401 -88.687 1.00 34.32 H new ATOM 0 HD2 LYS A 107 40.359 -42.266 -89.107 1.00 51.34 H new ATOM 0 HD3 LYS A 107 39.098 -43.280 -88.435 1.00 51.34 H new ATOM 0 HE2 LYS A 107 40.672 -41.774 -86.416 1.00 14.03 H new ATOM 0 HE3 LYS A 107 39.755 -40.766 -87.519 1.00 14.03 H new ATOM 0 HZ1 LYS A 107 38.458 -41.340 -85.572 1.00 73.33 H new ATOM 0 HZ2 LYS A 107 37.754 -42.022 -86.959 1.00 73.33 H new ATOM 0 HZ3 LYS A 107 38.642 -42.997 -85.890 1.00 73.33 H new ATOM 1622 N ALA A 108 43.081 -46.533 -85.447 1.00 60.30 N ATOM 1623 CA ALA A 108 44.507 -46.565 -85.146 1.00 71.33 C ATOM 1624 C ALA A 108 45.151 -47.843 -85.674 1.00 33.14 C ATOM 1625 O ALA A 108 46.214 -47.805 -86.292 1.00 12.05 O ATOM 1626 CB ALA A 108 44.733 -46.438 -83.647 1.00 40.10 C ATOM 0 H ALA A 108 42.480 -46.826 -84.676 1.00 60.30 H new ATOM 0 HA ALA A 108 44.978 -45.719 -85.646 1.00 71.33 H new ATOM 0 HB1 ALA A 108 45.802 -46.463 -83.437 1.00 40.10 H new ATOM 0 HB2 ALA A 108 44.316 -45.494 -83.295 1.00 40.10 H new ATOM 0 HB3 ALA A 108 44.243 -47.265 -83.134 1.00 40.10 H new ATOM 1632 N GLY A 109 44.499 -48.975 -85.424 1.00 61.25 N ATOM 1633 CA GLY A 109 45.024 -50.249 -85.881 1.00 10.04 C ATOM 1634 C GLY A 109 45.605 -51.075 -84.750 1.00 45.42 C ATOM 1635 O GLY A 109 45.979 -52.232 -84.945 1.00 74.20 O ATOM 0 H GLY A 109 43.618 -49.032 -84.914 1.00 61.25 H new ATOM 0 HA2 GLY A 109 44.228 -50.813 -86.367 1.00 10.04 H new ATOM 0 HA3 GLY A 109 45.795 -50.073 -86.632 1.00 10.04 H new ATOM 1639 N LEU A 110 45.685 -50.479 -83.565 1.00 71.43 N ATOM 1640 CA LEU A 110 46.227 -51.167 -82.398 1.00 42.05 C ATOM 1641 C LEU A 110 45.187 -51.255 -81.286 1.00 61.22 C ATOM 1642 O LEU A 110 44.403 -50.328 -81.080 1.00 23.11 O ATOM 1643 CB LEU A 110 47.475 -50.443 -81.889 1.00 52.14 C ATOM 1644 CG LEU A 110 47.464 -48.919 -82.014 1.00 11.13 C ATOM 1645 CD1 LEU A 110 47.610 -48.501 -83.469 1.00 12.14 C ATOM 1646 CD2 LEU A 110 46.187 -48.344 -81.417 1.00 63.32 C ATOM 0 H LEU A 110 45.382 -49.522 -83.387 1.00 71.43 H new ATOM 0 HA LEU A 110 46.498 -52.179 -82.697 1.00 42.05 H new ATOM 0 HB2 LEU A 110 47.617 -50.701 -80.839 1.00 52.14 H new ATOM 0 HB3 LEU A 110 48.339 -50.826 -82.431 1.00 52.14 H new ATOM 0 HG LEU A 110 48.313 -48.522 -81.457 1.00 11.13 H new ATOM 0 HD11 LEU A 110 47.600 -47.413 -83.538 1.00 12.14 H new ATOM 0 HD12 LEU A 110 48.552 -48.881 -83.864 1.00 12.14 H new ATOM 0 HD13 LEU A 110 46.783 -48.909 -84.050 1.00 12.14 H new ATOM 0 HD21 LEU A 110 46.196 -47.258 -81.515 1.00 63.32 H new ATOM 0 HD22 LEU A 110 45.324 -48.749 -81.946 1.00 63.32 H new ATOM 0 HD23 LEU A 110 46.125 -48.613 -80.362 1.00 63.32 H new ATOM 1658 N HIS A 111 45.187 -52.375 -80.571 1.00 21.45 N ATOM 1659 CA HIS A 111 44.245 -52.584 -79.477 1.00 0.44 C ATOM 1660 C HIS A 111 44.298 -51.425 -78.486 1.00 2.32 C ATOM 1661 O HIS A 111 45.138 -50.533 -78.604 1.00 11.24 O ATOM 1662 CB HIS A 111 44.548 -53.899 -78.758 1.00 1.31 C ATOM 1663 CG HIS A 111 43.381 -54.836 -78.707 1.00 63.33 C ATOM 1664 ND1 HIS A 111 43.475 -56.173 -79.034 1.00 40.31 N ATOM 1665 CD2 HIS A 111 42.089 -54.624 -78.364 1.00 24.35 C ATOM 1666 CE1 HIS A 111 42.291 -56.742 -78.895 1.00 51.33 C ATOM 1667 NE2 HIS A 111 41.433 -55.824 -78.489 1.00 14.32 N ATOM 0 H HIS A 111 45.829 -53.152 -80.729 1.00 21.45 H new ATOM 0 HA HIS A 111 43.241 -52.633 -79.899 1.00 0.44 H new ATOM 0 HB2 HIS A 111 45.380 -54.394 -79.259 1.00 1.31 H new ATOM 0 HB3 HIS A 111 44.873 -53.681 -77.741 1.00 1.31 H new ATOM 0 HD2 HIS A 111 41.655 -53.686 -78.050 1.00 24.35 H new ATOM 0 HE1 HIS A 111 42.063 -57.781 -79.082 1.00 51.33 H new ATOM 0 HE2 HIS A 111 40.443 -55.981 -78.299 1.00 14.32 H new ATOM 1675 N ALA A 112 43.396 -51.444 -77.510 1.00 73.44 N ATOM 1676 CA ALA A 112 43.341 -50.396 -76.499 1.00 30.31 C ATOM 1677 C ALA A 112 43.183 -50.989 -75.103 1.00 12.43 C ATOM 1678 O ALA A 112 42.807 -52.151 -74.949 1.00 73.53 O ATOM 1679 CB ALA A 112 42.202 -49.433 -76.798 1.00 73.20 C ATOM 0 H ALA A 112 42.693 -52.175 -77.398 1.00 73.44 H new ATOM 0 HA ALA A 112 44.282 -49.847 -76.528 1.00 30.31 H new ATOM 0 HB1 ALA A 112 42.173 -48.656 -76.035 1.00 73.20 H new ATOM 0 HB2 ALA A 112 42.359 -48.976 -77.775 1.00 73.20 H new ATOM 0 HB3 ALA A 112 41.257 -49.976 -76.799 1.00 73.20 H new ATOM 1685 N LEU A 113 43.473 -50.183 -74.087 1.00 55.31 N ATOM 1686 CA LEU A 113 43.363 -50.628 -72.702 1.00 50.41 C ATOM 1687 C LEU A 113 42.388 -49.750 -71.924 1.00 35.31 C ATOM 1688 O LEU A 113 42.387 -48.528 -72.067 1.00 74.01 O ATOM 1689 CB LEU A 113 44.736 -50.605 -72.028 1.00 41.14 C ATOM 1690 CG LEU A 113 45.547 -49.320 -72.200 1.00 50.02 C ATOM 1691 CD1 LEU A 113 45.874 -48.710 -70.846 1.00 51.11 C ATOM 1692 CD2 LEU A 113 46.821 -49.595 -72.985 1.00 43.53 C ATOM 0 H LEU A 113 43.786 -49.218 -74.196 1.00 55.31 H new ATOM 0 HA LEU A 113 42.982 -51.649 -72.703 1.00 50.41 H new ATOM 0 HB2 LEU A 113 44.598 -50.784 -70.962 1.00 41.14 H new ATOM 0 HB3 LEU A 113 45.324 -51.437 -72.417 1.00 41.14 H new ATOM 0 HG LEU A 113 44.945 -48.605 -72.761 1.00 50.02 H new ATOM 0 HD11 LEU A 113 46.451 -47.797 -70.988 1.00 51.11 H new ATOM 0 HD12 LEU A 113 44.949 -48.476 -70.319 1.00 51.11 H new ATOM 0 HD13 LEU A 113 46.457 -49.420 -70.258 1.00 51.11 H new ATOM 0 HD21 LEU A 113 47.386 -48.670 -73.098 1.00 43.53 H new ATOM 0 HD22 LEU A 113 47.427 -50.327 -72.451 1.00 43.53 H new ATOM 0 HD23 LEU A 113 46.564 -49.986 -73.970 1.00 43.53 H new ATOM 1704 N ALA A 114 41.560 -50.383 -71.099 1.00 11.34 N ATOM 1705 CA ALA A 114 40.583 -49.660 -70.294 1.00 54.44 C ATOM 1706 C ALA A 114 40.563 -50.175 -68.859 1.00 62.14 C ATOM 1707 O ALA A 114 40.607 -51.382 -68.623 1.00 41.01 O ATOM 1708 CB ALA A 114 39.199 -49.773 -70.917 1.00 30.41 C ATOM 0 H ALA A 114 41.546 -51.395 -70.971 1.00 11.34 H new ATOM 0 HA ALA A 114 40.875 -48.610 -70.270 1.00 54.44 H new ATOM 0 HB1 ALA A 114 38.479 -49.229 -70.306 1.00 30.41 H new ATOM 0 HB2 ALA A 114 39.216 -49.349 -71.921 1.00 30.41 H new ATOM 0 HB3 ALA A 114 38.909 -50.822 -70.971 1.00 30.41 H new ATOM 1714 N MET A 115 40.498 -49.253 -67.905 1.00 51.40 N ATOM 1715 CA MET A 115 40.472 -49.615 -66.493 1.00 23.13 C ATOM 1716 C MET A 115 39.541 -48.694 -65.712 1.00 13.23 C ATOM 1717 O MET A 115 39.742 -47.479 -65.671 1.00 34.40 O ATOM 1718 CB MET A 115 41.882 -49.553 -65.903 1.00 24.14 C ATOM 1719 CG MET A 115 42.956 -50.088 -66.836 1.00 40.04 C ATOM 1720 SD MET A 115 44.533 -50.352 -66.003 1.00 11.02 S ATOM 1721 CE MET A 115 45.105 -48.665 -65.819 1.00 1.24 C ATOM 0 H MET A 115 40.462 -48.249 -68.084 1.00 51.40 H new ATOM 0 HA MET A 115 40.096 -50.635 -66.412 1.00 23.13 H new ATOM 0 HB2 MET A 115 42.115 -48.519 -65.649 1.00 24.14 H new ATOM 0 HB3 MET A 115 41.903 -50.122 -64.974 1.00 24.14 H new ATOM 0 HG2 MET A 115 42.618 -51.028 -67.271 1.00 40.04 H new ATOM 0 HG3 MET A 115 43.098 -49.388 -67.660 1.00 40.04 H new ATOM 0 HE1 MET A 115 46.073 -48.662 -65.318 1.00 1.24 H new ATOM 0 HE2 MET A 115 45.203 -48.205 -66.802 1.00 1.24 H new ATOM 0 HE3 MET A 115 44.387 -48.100 -65.224 1.00 1.24 H new ATOM 1731 N THR A 116 38.520 -49.278 -65.092 1.00 72.43 N ATOM 1732 CA THR A 116 37.557 -48.510 -64.314 1.00 54.11 C ATOM 1733 C THR A 116 37.608 -48.896 -62.840 1.00 51.52 C ATOM 1734 O THR A 116 37.471 -50.068 -62.489 1.00 14.13 O ATOM 1735 CB THR A 116 36.122 -48.713 -64.837 1.00 31.54 C ATOM 1736 OG1 THR A 116 35.543 -49.878 -64.237 1.00 14.43 O ATOM 1737 CG2 THR A 116 36.113 -48.859 -66.351 1.00 21.32 C ATOM 0 H THR A 116 38.339 -50.282 -65.114 1.00 72.43 H new ATOM 0 HA THR A 116 37.830 -47.460 -64.421 1.00 54.11 H new ATOM 0 HB THR A 116 35.534 -47.835 -64.569 1.00 31.54 H new ATOM 0 HG1 THR A 116 35.024 -50.368 -64.908 1.00 14.43 H new ATOM 0 HG21 THR A 116 35.089 -49.001 -66.697 1.00 21.32 H new ATOM 0 HG22 THR A 116 36.528 -47.959 -66.806 1.00 21.32 H new ATOM 0 HG23 THR A 116 36.716 -49.721 -66.637 1.00 21.32 H new ATOM 1745 N THR A 117 37.806 -47.902 -61.980 1.00 11.34 N ATOM 1746 CA THR A 117 37.876 -48.137 -60.543 1.00 72.10 C ATOM 1747 C THR A 117 36.794 -47.357 -59.805 1.00 4.43 C ATOM 1748 O THR A 117 36.851 -46.130 -59.714 1.00 65.01 O ATOM 1749 CB THR A 117 39.253 -47.745 -59.976 1.00 24.41 C ATOM 1750 OG1 THR A 117 39.206 -47.726 -58.545 1.00 5.21 O ATOM 1751 CG2 THR A 117 39.683 -46.381 -60.493 1.00 4.10 C ATOM 0 H THR A 117 37.921 -46.926 -62.254 1.00 11.34 H new ATOM 0 HA THR A 117 37.719 -49.205 -60.389 1.00 72.10 H new ATOM 0 HB THR A 117 39.981 -48.486 -60.305 1.00 24.41 H new ATOM 0 HG1 THR A 117 40.086 -47.477 -58.192 1.00 5.21 H new ATOM 0 HG21 THR A 117 40.658 -46.126 -60.079 1.00 4.10 H new ATOM 0 HG22 THR A 117 39.746 -46.408 -61.581 1.00 4.10 H new ATOM 0 HG23 THR A 117 38.953 -45.630 -60.190 1.00 4.10 H new ATOM 1759 N LYS A 118 35.809 -48.075 -59.277 1.00 52.32 N ATOM 1760 CA LYS A 118 34.714 -47.450 -58.544 1.00 70.22 C ATOM 1761 C LYS A 118 34.339 -48.277 -57.318 1.00 54.24 C ATOM 1762 O LYS A 118 34.316 -49.507 -57.369 1.00 24.13 O ATOM 1763 CB LYS A 118 33.494 -47.283 -59.453 1.00 61.40 C ATOM 1764 CG LYS A 118 32.271 -46.740 -58.735 1.00 73.13 C ATOM 1765 CD LYS A 118 31.187 -47.797 -58.602 1.00 24.25 C ATOM 1766 CE LYS A 118 29.957 -47.248 -57.897 1.00 14.12 C ATOM 1767 NZ LYS A 118 29.087 -48.336 -57.370 1.00 23.14 N ATOM 0 H LYS A 118 35.746 -49.091 -59.343 1.00 52.32 H new ATOM 0 HA LYS A 118 35.047 -46.467 -58.210 1.00 70.22 H new ATOM 0 HB2 LYS A 118 33.751 -46.612 -60.273 1.00 61.40 H new ATOM 0 HB3 LYS A 118 33.247 -48.248 -59.896 1.00 61.40 H new ATOM 0 HG2 LYS A 118 32.557 -46.384 -57.745 1.00 73.13 H new ATOM 0 HG3 LYS A 118 31.879 -45.882 -59.281 1.00 73.13 H new ATOM 0 HD2 LYS A 118 30.909 -48.161 -59.591 1.00 24.25 H new ATOM 0 HD3 LYS A 118 31.576 -48.650 -58.046 1.00 24.25 H new ATOM 0 HE2 LYS A 118 30.267 -46.602 -57.076 1.00 14.12 H new ATOM 0 HE3 LYS A 118 29.386 -46.631 -58.591 1.00 14.12 H new ATOM 0 HZ1 LYS A 118 28.211 -47.926 -56.987 1.00 23.14 H new ATOM 0 HZ2 LYS A 118 28.853 -48.996 -58.139 1.00 23.14 H new ATOM 0 HZ3 LYS A 118 29.589 -48.847 -56.616 1.00 23.14 H new ATOM 1781 N THR A 119 34.042 -47.593 -56.217 1.00 64.22 N ATOM 1782 CA THR A 119 33.668 -48.264 -54.979 1.00 34.12 C ATOM 1783 C THR A 119 32.363 -49.035 -55.144 1.00 62.44 C ATOM 1784 O THR A 119 31.404 -48.557 -55.750 1.00 34.14 O ATOM 1785 CB THR A 119 33.514 -47.260 -53.821 1.00 33.45 C ATOM 1786 OG1 THR A 119 34.039 -45.985 -54.204 1.00 43.15 O ATOM 1787 CG2 THR A 119 34.233 -47.757 -52.575 1.00 53.22 C ATOM 0 H THR A 119 34.053 -46.575 -56.158 1.00 64.22 H new ATOM 0 HA THR A 119 34.472 -48.961 -54.742 1.00 34.12 H new ATOM 0 HB THR A 119 32.452 -47.161 -53.594 1.00 33.45 H new ATOM 0 HG1 THR A 119 34.651 -45.661 -53.510 1.00 43.15 H new ATOM 0 HG21 THR A 119 34.110 -47.032 -51.771 1.00 53.22 H new ATOM 0 HG22 THR A 119 33.810 -48.714 -52.268 1.00 53.22 H new ATOM 0 HG23 THR A 119 35.294 -47.882 -52.792 1.00 53.22 H new