USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 553 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 47 THR OG1 : rot 18:sc= -1.49! USER MOD Set 1.2: A 83 SER OG : rot -62:sc= 0.762 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 120:sc= -1.36 USER MOD Single : A 39 LYS NZ :NH3+ 165:sc= 0.456 (180deg=0.254) USER MOD Single : A 45 SER OG : rot 180:sc= -0.279 USER MOD Single : A 48 HIS : no HD1:sc= -0.0768 X(o=-0.077,f=-0.013) USER MOD Single : A 50 LYS NZ :NH3+ 178:sc= -0.915 (180deg=-0.939) USER MOD Single : A 53 ASN : amide:sc= -0.823 K(o=-0.82,f=-5.3!) USER MOD Single : A 55 SER OG : rot 180:sc= -0.494 USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 THR OG1 : rot -130:sc= -0.0185 USER MOD Single : A 76 HIS : no HD1:sc= -1.92 K(o=-1.9,f=-3.8!) 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= 1.12 USER MOD Single : A 93 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.00631) USER MOD Single : A 95 HIS : no HE2:sc= -1.33 K(o=-1.3,f=-3.9!) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 110:sc= 1.27 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS : no HD1:sc=-0.00227 X(o=-0.0023,f=-0.094) USER MOD Single : A 115 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot -135:sc= -1.04 USER MOD Single : A 117 THR OG1 : rot 160:sc= -0.807 USER MOD Single : A 118 LYS NZ :NH3+ -168:sc= 1.04 (180deg=0.86) USER MOD Single : A 119 THR OG1 : rot -177:sc= -1.86 USER MOD ----------------------------------------------------------------- ATOM 471 N ALA A 33 29.077 -43.619 -76.324 1.00 30.22 N ATOM 472 CA ALA A 33 27.854 -44.377 -76.088 1.00 41.50 C ATOM 473 C ALA A 33 28.166 -45.824 -75.725 1.00 63.44 C ATOM 474 O ALA A 33 27.877 -46.273 -74.617 1.00 60.31 O ATOM 475 CB ALA A 33 26.954 -44.320 -77.313 1.00 55.41 C ATOM 0 HA ALA A 33 27.332 -43.924 -75.245 1.00 41.50 H new ATOM 0 HB1 ALA A 33 26.045 -44.890 -77.123 1.00 55.41 H new ATOM 0 HB2 ALA A 33 26.694 -43.283 -77.526 1.00 55.41 H new ATOM 0 HB3 ALA A 33 27.477 -44.746 -78.169 1.00 55.41 H new ATOM 481 N GLY A 34 28.758 -46.552 -76.668 1.00 43.53 N ATOM 482 CA GLY A 34 29.099 -47.942 -76.429 1.00 11.35 C ATOM 483 C GLY A 34 30.128 -48.105 -75.328 1.00 3.21 C ATOM 484 O GLY A 34 30.125 -49.104 -74.609 1.00 44.23 O ATOM 0 H GLY A 34 29.007 -46.203 -77.593 1.00 43.53 H new ATOM 0 HA2 GLY A 34 28.197 -48.494 -76.164 1.00 11.35 H new ATOM 0 HA3 GLY A 34 29.483 -48.382 -77.349 1.00 11.35 H new ATOM 488 N ALA A 35 31.013 -47.121 -75.196 1.00 74.54 N ATOM 489 CA ALA A 35 32.052 -47.160 -74.175 1.00 62.45 C ATOM 490 C ALA A 35 31.448 -47.142 -72.776 1.00 11.04 C ATOM 491 O ALA A 35 31.912 -47.849 -71.880 1.00 14.50 O ATOM 492 CB ALA A 35 33.011 -45.993 -74.354 1.00 2.21 C ATOM 0 H ALA A 35 31.030 -46.288 -75.784 1.00 74.54 H new ATOM 0 HA ALA A 35 32.606 -48.092 -74.290 1.00 62.45 H new ATOM 0 HB1 ALA A 35 33.782 -46.034 -73.585 1.00 2.21 H new ATOM 0 HB2 ALA A 35 33.476 -46.052 -75.338 1.00 2.21 H new ATOM 0 HB3 ALA A 35 32.463 -45.055 -74.268 1.00 2.21 H new ATOM 498 N ILE A 36 30.412 -46.330 -72.594 1.00 42.30 N ATOM 499 CA ILE A 36 29.745 -46.220 -71.303 1.00 30.33 C ATOM 500 C ILE A 36 29.360 -47.594 -70.764 1.00 65.35 C ATOM 501 O ILE A 36 29.337 -47.815 -69.553 1.00 53.24 O ATOM 502 CB ILE A 36 28.481 -45.345 -71.394 1.00 70.25 C ATOM 503 CG1 ILE A 36 27.282 -46.187 -71.837 1.00 24.13 C ATOM 504 CG2 ILE A 36 28.706 -44.188 -72.356 1.00 64.35 C ATOM 505 CD1 ILE A 36 26.143 -45.367 -72.401 1.00 21.15 C ATOM 0 H ILE A 36 30.016 -45.739 -73.325 1.00 42.30 H new ATOM 0 HA ILE A 36 30.454 -45.750 -70.621 1.00 30.33 H new ATOM 0 HB ILE A 36 28.269 -44.935 -70.406 1.00 70.25 H new ATOM 0 HG12 ILE A 36 27.610 -46.904 -72.590 1.00 24.13 H new ATOM 0 HG13 ILE A 36 26.918 -46.762 -70.986 1.00 24.13 H new ATOM 0 HG21 ILE A 36 27.804 -43.579 -72.410 1.00 64.35 H new ATOM 0 HG22 ILE A 36 29.536 -43.577 -72.002 1.00 64.35 H new ATOM 0 HG23 ILE A 36 28.939 -44.579 -73.347 1.00 64.35 H new ATOM 0 HD11 ILE A 36 25.328 -46.029 -72.694 1.00 21.15 H new ATOM 0 HD12 ILE A 36 25.788 -44.668 -71.644 1.00 21.15 H new ATOM 0 HD13 ILE A 36 26.491 -44.812 -73.272 1.00 21.15 H new ATOM 517 N LYS A 37 29.061 -48.517 -71.673 1.00 3.23 N ATOM 518 CA LYS A 37 28.681 -49.872 -71.291 1.00 53.41 C ATOM 519 C LYS A 37 29.817 -50.567 -70.549 1.00 62.50 C ATOM 520 O LYS A 37 29.596 -51.224 -69.532 1.00 25.34 O ATOM 521 CB LYS A 37 28.294 -50.683 -72.530 1.00 2.11 C ATOM 522 CG LYS A 37 27.012 -51.479 -72.360 1.00 53.31 C ATOM 523 CD LYS A 37 27.232 -52.716 -71.506 1.00 0.34 C ATOM 524 CE LYS A 37 25.964 -53.116 -70.767 1.00 70.22 C ATOM 525 NZ LYS A 37 25.776 -52.326 -69.519 1.00 53.23 N ATOM 0 H LYS A 37 29.075 -48.351 -72.679 1.00 3.23 H new ATOM 0 HA LYS A 37 27.822 -49.807 -70.624 1.00 53.41 H new ATOM 0 HB2 LYS A 37 28.182 -50.006 -73.377 1.00 2.11 H new ATOM 0 HB3 LYS A 37 29.107 -51.367 -72.775 1.00 2.11 H new ATOM 0 HG2 LYS A 37 26.250 -50.849 -71.900 1.00 53.31 H new ATOM 0 HG3 LYS A 37 26.634 -51.774 -73.339 1.00 53.31 H new ATOM 0 HD2 LYS A 37 27.562 -53.541 -72.137 1.00 0.34 H new ATOM 0 HD3 LYS A 37 28.029 -52.526 -70.787 1.00 0.34 H new ATOM 0 HE2 LYS A 37 25.103 -52.973 -71.420 1.00 70.22 H new ATOM 0 HE3 LYS A 37 26.006 -54.177 -70.522 1.00 70.22 H new ATOM 0 HZ1 LYS A 37 24.901 -52.629 -69.045 1.00 53.23 H new ATOM 0 HZ2 LYS A 37 26.585 -52.481 -68.884 1.00 53.23 H new ATOM 0 HZ3 LYS A 37 25.710 -51.315 -69.755 1.00 53.23 H new ATOM 539 N SER A 38 31.033 -50.418 -71.064 1.00 44.21 N ATOM 540 CA SER A 38 32.204 -51.034 -70.451 1.00 43.01 C ATOM 541 C SER A 38 32.496 -50.411 -69.089 1.00 75.31 C ATOM 542 O SER A 38 32.831 -51.110 -68.132 1.00 42.15 O ATOM 543 CB SER A 38 33.423 -50.884 -71.364 1.00 54.12 C ATOM 544 OG SER A 38 33.032 -50.782 -72.723 1.00 24.13 O ATOM 0 H SER A 38 31.233 -49.876 -71.905 1.00 44.21 H new ATOM 0 HA SER A 38 31.993 -52.094 -70.309 1.00 43.01 H new ATOM 0 HB2 SER A 38 33.989 -49.998 -71.078 1.00 54.12 H new ATOM 0 HB3 SER A 38 34.085 -51.740 -71.236 1.00 54.12 H new ATOM 0 HG SER A 38 33.340 -49.926 -73.089 1.00 24.13 H new ATOM 550 N LYS A 39 32.365 -49.091 -69.009 1.00 34.50 N ATOM 551 CA LYS A 39 32.612 -48.372 -67.765 1.00 52.32 C ATOM 552 C LYS A 39 31.660 -48.838 -66.668 1.00 54.35 C ATOM 553 O LYS A 39 32.067 -49.044 -65.525 1.00 70.12 O ATOM 554 CB LYS A 39 32.456 -46.865 -67.984 1.00 63.12 C ATOM 555 CG LYS A 39 32.972 -46.390 -69.332 1.00 15.03 C ATOM 556 CD LYS A 39 33.366 -44.923 -69.292 1.00 70.12 C ATOM 557 CE LYS A 39 32.156 -44.026 -69.077 1.00 64.31 C ATOM 558 NZ LYS A 39 32.428 -42.961 -68.073 1.00 15.13 N ATOM 0 H LYS A 39 32.089 -48.497 -69.791 1.00 34.50 H new ATOM 0 HA LYS A 39 33.633 -48.584 -67.449 1.00 52.32 H new ATOM 0 HB2 LYS A 39 31.403 -46.600 -67.894 1.00 63.12 H new ATOM 0 HB3 LYS A 39 32.987 -46.334 -67.194 1.00 63.12 H new ATOM 0 HG2 LYS A 39 33.833 -46.991 -69.626 1.00 15.03 H new ATOM 0 HG3 LYS A 39 32.204 -46.541 -70.091 1.00 15.03 H new ATOM 0 HD2 LYS A 39 34.087 -44.761 -68.491 1.00 70.12 H new ATOM 0 HD3 LYS A 39 33.860 -44.652 -70.225 1.00 70.12 H new ATOM 0 HE2 LYS A 39 31.870 -43.568 -70.024 1.00 64.31 H new ATOM 0 HE3 LYS A 39 31.310 -44.629 -68.747 1.00 64.31 H new ATOM 0 HZ1 LYS A 39 31.692 -42.229 -68.135 1.00 15.13 H new ATOM 0 HZ2 LYS A 39 32.425 -43.375 -67.119 1.00 15.13 H new ATOM 0 HZ3 LYS A 39 33.357 -42.534 -68.262 1.00 15.13 H new ATOM 572 N VAL A 40 30.390 -49.003 -67.024 1.00 54.15 N ATOM 573 CA VAL A 40 29.380 -49.447 -66.071 1.00 70.20 C ATOM 574 C VAL A 40 29.773 -50.775 -65.433 1.00 41.10 C ATOM 575 O VAL A 40 29.610 -50.968 -64.229 1.00 4.33 O ATOM 576 CB VAL A 40 28.003 -49.601 -66.743 1.00 34.10 C ATOM 577 CG1 VAL A 40 27.019 -50.273 -65.797 1.00 60.53 C ATOM 578 CG2 VAL A 40 27.478 -48.247 -67.197 1.00 73.52 C ATOM 0 H VAL A 40 30.036 -48.836 -67.966 1.00 54.15 H new ATOM 0 HA VAL A 40 29.315 -48.681 -65.299 1.00 70.20 H new ATOM 0 HB VAL A 40 28.116 -50.235 -67.622 1.00 34.10 H new ATOM 0 HG11 VAL A 40 26.052 -50.373 -66.289 1.00 60.53 H new ATOM 0 HG12 VAL A 40 27.392 -51.261 -65.525 1.00 60.53 H new ATOM 0 HG13 VAL A 40 26.907 -49.667 -64.898 1.00 60.53 H new ATOM 0 HG21 VAL A 40 26.504 -48.374 -67.670 1.00 73.52 H new ATOM 0 HG22 VAL A 40 27.379 -47.587 -66.335 1.00 73.52 H new ATOM 0 HG23 VAL A 40 28.174 -47.808 -67.912 1.00 73.52 H new ATOM 588 N GLU A 41 30.292 -51.687 -66.249 1.00 52.14 N ATOM 589 CA GLU A 41 30.708 -52.997 -65.764 1.00 21.33 C ATOM 590 C GLU A 41 31.724 -52.861 -64.633 1.00 63.05 C ATOM 591 O GLU A 41 31.830 -53.733 -63.771 1.00 40.42 O ATOM 592 CB GLU A 41 31.306 -53.823 -66.905 1.00 51.41 C ATOM 593 CG GLU A 41 31.997 -55.093 -66.440 1.00 62.32 C ATOM 594 CD GLU A 41 31.168 -55.877 -65.441 1.00 52.33 C ATOM 595 OE1 GLU A 41 29.942 -55.992 -65.650 1.00 13.41 O ATOM 596 OE2 GLU A 41 31.744 -56.374 -64.452 1.00 31.25 O ATOM 0 H GLU A 41 30.434 -51.542 -67.249 1.00 52.14 H new ATOM 0 HA GLU A 41 29.827 -53.509 -65.378 1.00 21.33 H new ATOM 0 HB2 GLU A 41 30.514 -54.086 -67.606 1.00 51.41 H new ATOM 0 HB3 GLU A 41 32.022 -53.209 -67.450 1.00 51.41 H new ATOM 0 HG2 GLU A 41 32.210 -55.723 -67.304 1.00 62.32 H new ATOM 0 HG3 GLU A 41 32.955 -54.836 -65.989 1.00 62.32 H new ATOM 603 N ALA A 42 32.470 -51.761 -64.646 1.00 22.12 N ATOM 604 CA ALA A 42 33.477 -51.509 -63.622 1.00 72.31 C ATOM 605 C ALA A 42 32.927 -50.609 -62.521 1.00 51.44 C ATOM 606 O ALA A 42 33.361 -50.682 -61.372 1.00 54.20 O ATOM 607 CB ALA A 42 34.718 -50.888 -64.244 1.00 43.44 C ATOM 0 H ALA A 42 32.396 -51.030 -65.354 1.00 22.12 H new ATOM 0 HA ALA A 42 33.749 -52.464 -63.172 1.00 72.31 H new ATOM 0 HB1 ALA A 42 35.461 -50.705 -63.468 1.00 43.44 H new ATOM 0 HB2 ALA A 42 35.131 -51.568 -64.989 1.00 43.44 H new ATOM 0 HB3 ALA A 42 34.453 -49.945 -64.721 1.00 43.44 H new ATOM 613 N ALA A 43 31.970 -49.759 -62.881 1.00 43.01 N ATOM 614 CA ALA A 43 31.361 -48.845 -61.923 1.00 74.02 C ATOM 615 C ALA A 43 30.648 -49.609 -60.812 1.00 64.01 C ATOM 616 O ALA A 43 30.445 -49.085 -59.716 1.00 55.12 O ATOM 617 CB ALA A 43 30.390 -47.910 -62.630 1.00 31.42 C ATOM 0 H ALA A 43 31.600 -49.685 -63.829 1.00 43.01 H new ATOM 0 HA ALA A 43 32.155 -48.252 -61.469 1.00 74.02 H new ATOM 0 HB1 ALA A 43 29.942 -47.233 -61.903 1.00 31.42 H new ATOM 0 HB2 ALA A 43 30.925 -47.332 -63.383 1.00 31.42 H new ATOM 0 HB3 ALA A 43 29.606 -48.495 -63.111 1.00 31.42 H new ATOM 623 N LEU A 44 30.271 -50.849 -61.101 1.00 63.54 N ATOM 624 CA LEU A 44 29.581 -51.686 -60.126 1.00 74.33 C ATOM 625 C LEU A 44 30.447 -51.912 -58.892 1.00 2.05 C ATOM 626 O LEU A 44 29.951 -52.309 -57.837 1.00 44.01 O ATOM 627 CB LEU A 44 29.206 -53.030 -60.753 1.00 33.40 C ATOM 628 CG LEU A 44 30.104 -54.214 -60.391 1.00 11.43 C ATOM 629 CD1 LEU A 44 29.523 -55.510 -60.932 1.00 73.43 C ATOM 630 CD2 LEU A 44 31.513 -53.996 -60.922 1.00 41.30 C ATOM 0 H LEU A 44 30.431 -51.297 -62.003 1.00 63.54 H new ATOM 0 HA LEU A 44 28.672 -51.169 -59.819 1.00 74.33 H new ATOM 0 HB2 LEU A 44 28.184 -53.272 -60.461 1.00 33.40 H new ATOM 0 HB3 LEU A 44 29.209 -52.916 -61.837 1.00 33.40 H new ATOM 0 HG LEU A 44 30.154 -54.289 -59.305 1.00 11.43 H new ATOM 0 HD11 LEU A 44 30.176 -56.341 -60.664 1.00 73.43 H new ATOM 0 HD12 LEU A 44 28.534 -55.673 -60.503 1.00 73.43 H new ATOM 0 HD13 LEU A 44 29.442 -55.447 -62.017 1.00 73.43 H new ATOM 0 HD21 LEU A 44 32.138 -54.848 -60.655 1.00 41.30 H new ATOM 0 HD22 LEU A 44 31.481 -53.895 -62.007 1.00 41.30 H new ATOM 0 HD23 LEU A 44 31.930 -53.089 -60.485 1.00 41.30 H new ATOM 642 N SER A 45 31.744 -51.654 -59.030 1.00 32.23 N ATOM 643 CA SER A 45 32.680 -51.831 -57.926 1.00 1.32 C ATOM 644 C SER A 45 33.273 -50.492 -57.497 1.00 64.04 C ATOM 645 O SER A 45 33.222 -49.500 -58.225 1.00 12.15 O ATOM 646 CB SER A 45 33.800 -52.792 -58.328 1.00 31.51 C ATOM 647 OG SER A 45 33.731 -53.996 -57.583 1.00 14.11 O ATOM 0 H SER A 45 32.170 -51.322 -59.895 1.00 32.23 H new ATOM 0 HA SER A 45 32.134 -52.254 -57.083 1.00 1.32 H new ATOM 0 HB2 SER A 45 33.728 -53.015 -59.393 1.00 31.51 H new ATOM 0 HB3 SER A 45 34.767 -52.316 -58.167 1.00 31.51 H new ATOM 0 HG SER A 45 34.456 -54.594 -57.860 1.00 14.11 H new ATOM 653 N PRO A 46 33.851 -50.462 -56.287 1.00 62.12 N ATOM 654 CA PRO A 46 34.466 -49.252 -55.733 1.00 62.25 C ATOM 655 C PRO A 46 35.749 -48.868 -56.463 1.00 54.44 C ATOM 656 O PRO A 46 36.825 -49.387 -56.166 1.00 0.44 O ATOM 657 CB PRO A 46 34.772 -49.641 -54.285 1.00 14.33 C ATOM 658 CG PRO A 46 34.904 -51.124 -54.310 1.00 60.43 C ATOM 659 CD PRO A 46 33.949 -51.607 -55.367 1.00 31.24 C ATOM 0 HA PRO A 46 33.814 -48.384 -55.827 1.00 62.25 H new ATOM 0 HB2 PRO A 46 35.689 -49.168 -53.934 1.00 14.33 H new ATOM 0 HB3 PRO A 46 33.973 -49.326 -53.613 1.00 14.33 H new ATOM 0 HG2 PRO A 46 35.927 -51.421 -54.543 1.00 60.43 H new ATOM 0 HG3 PRO A 46 34.661 -51.554 -53.338 1.00 60.43 H new ATOM 0 HD2 PRO A 46 34.325 -52.497 -55.872 1.00 31.24 H new ATOM 0 HD3 PRO A 46 32.979 -51.866 -54.944 1.00 31.24 H new ATOM 667 N THR A 47 35.628 -47.954 -57.422 1.00 14.14 N ATOM 668 CA THR A 47 36.777 -47.500 -58.195 1.00 32.34 C ATOM 669 C THR A 47 36.416 -46.301 -59.063 1.00 43.42 C ATOM 670 O THR A 47 35.325 -45.742 -58.946 1.00 70.21 O ATOM 671 CB THR A 47 37.328 -48.623 -59.093 1.00 60.33 C ATOM 672 OG1 THR A 47 38.593 -48.236 -59.642 1.00 14.41 O ATOM 673 CG2 THR A 47 36.357 -48.941 -60.220 1.00 55.41 C ATOM 0 H THR A 47 34.745 -47.514 -57.681 1.00 14.14 H new ATOM 0 HA THR A 47 37.545 -47.208 -57.479 1.00 32.34 H new ATOM 0 HB THR A 47 37.456 -49.516 -58.482 1.00 60.33 H new ATOM 0 HG1 THR A 47 38.962 -47.493 -59.121 1.00 14.41 H new ATOM 0 HG21 THR A 47 36.768 -49.737 -60.841 1.00 55.41 H new ATOM 0 HG22 THR A 47 35.405 -49.264 -59.799 1.00 55.41 H new ATOM 0 HG23 THR A 47 36.201 -48.050 -60.828 1.00 55.41 H new ATOM 681 N HIS A 48 37.339 -45.909 -59.936 1.00 4.33 N ATOM 682 CA HIS A 48 37.118 -44.775 -60.826 1.00 55.10 C ATOM 683 C HIS A 48 37.400 -45.159 -62.275 1.00 45.53 C ATOM 684 O HIS A 48 38.281 -45.974 -62.552 1.00 14.21 O ATOM 685 CB HIS A 48 38.002 -43.597 -60.416 1.00 52.21 C ATOM 686 CG HIS A 48 37.495 -42.272 -60.897 1.00 3.12 C ATOM 687 ND1 HIS A 48 38.301 -41.335 -61.509 1.00 21.04 N ATOM 688 CD2 HIS A 48 36.256 -41.730 -60.855 1.00 12.34 C ATOM 689 CE1 HIS A 48 37.580 -40.273 -61.820 1.00 73.11 C ATOM 690 NE2 HIS A 48 36.335 -40.487 -61.434 1.00 72.44 N ATOM 0 H HIS A 48 38.247 -46.360 -60.046 1.00 4.33 H new ATOM 0 HA HIS A 48 36.072 -44.479 -60.744 1.00 55.10 H new ATOM 0 HB2 HIS A 48 38.081 -43.574 -59.329 1.00 52.21 H new ATOM 0 HB3 HIS A 48 39.008 -43.755 -60.805 1.00 52.21 H new ATOM 0 HD2 HIS A 48 35.370 -42.189 -60.443 1.00 12.34 H new ATOM 0 HE1 HIS A 48 37.946 -39.381 -62.307 1.00 73.11 H new ATOM 0 HE2 HIS A 48 35.559 -39.835 -61.547 1.00 72.44 H new ATOM 698 N PHE A 49 36.648 -44.566 -63.197 1.00 22.22 N ATOM 699 CA PHE A 49 36.817 -44.847 -64.618 1.00 31.32 C ATOM 700 C PHE A 49 36.773 -43.560 -65.436 1.00 13.02 C ATOM 701 O PHE A 49 35.776 -42.838 -65.426 1.00 14.25 O ATOM 702 CB PHE A 49 35.730 -45.810 -65.101 1.00 44.25 C ATOM 703 CG PHE A 49 34.359 -45.472 -64.590 1.00 2.01 C ATOM 704 CD1 PHE A 49 33.912 -45.979 -63.380 1.00 61.15 C ATOM 705 CD2 PHE A 49 33.517 -44.648 -65.319 1.00 1.43 C ATOM 706 CE1 PHE A 49 32.651 -45.670 -62.907 1.00 0.14 C ATOM 707 CE2 PHE A 49 32.255 -44.335 -64.850 1.00 3.43 C ATOM 708 CZ PHE A 49 31.821 -44.847 -63.643 1.00 22.31 C ATOM 0 H PHE A 49 35.916 -43.888 -62.985 1.00 22.22 H new ATOM 0 HA PHE A 49 37.793 -45.312 -64.758 1.00 31.32 H new ATOM 0 HB2 PHE A 49 35.713 -45.809 -66.191 1.00 44.25 H new ATOM 0 HB3 PHE A 49 35.987 -46.822 -64.787 1.00 44.25 H new ATOM 0 HD1 PHE A 49 34.557 -46.623 -62.800 1.00 61.15 H new ATOM 0 HD2 PHE A 49 33.850 -44.246 -66.264 1.00 1.43 H new ATOM 0 HE1 PHE A 49 32.315 -46.072 -61.963 1.00 0.14 H new ATOM 0 HE2 PHE A 49 31.609 -43.690 -65.427 1.00 3.43 H new ATOM 0 HZ PHE A 49 30.835 -44.604 -63.275 1.00 22.31 H new ATOM 718 N LYS A 50 37.861 -43.278 -66.144 1.00 22.41 N ATOM 719 CA LYS A 50 37.949 -42.079 -66.969 1.00 30.41 C ATOM 720 C LYS A 50 38.059 -42.442 -68.446 1.00 61.44 C ATOM 721 O LYS A 50 39.046 -43.041 -68.877 1.00 75.22 O ATOM 722 CB LYS A 50 39.154 -41.234 -66.549 1.00 54.15 C ATOM 723 CG LYS A 50 39.369 -40.008 -67.420 1.00 14.33 C ATOM 724 CD LYS A 50 40.782 -39.958 -67.974 1.00 64.53 C ATOM 725 CE LYS A 50 41.288 -38.528 -68.086 1.00 72.31 C ATOM 726 NZ LYS A 50 40.669 -37.810 -69.234 1.00 41.52 N ATOM 0 H LYS A 50 38.695 -43.864 -66.163 1.00 22.41 H new ATOM 0 HA LYS A 50 37.038 -41.499 -66.823 1.00 30.41 H new ATOM 0 HB2 LYS A 50 39.022 -40.916 -65.515 1.00 54.15 H new ATOM 0 HB3 LYS A 50 40.050 -41.853 -66.580 1.00 54.15 H new ATOM 0 HG2 LYS A 50 38.655 -40.016 -68.243 1.00 14.33 H new ATOM 0 HG3 LYS A 50 39.174 -39.108 -66.837 1.00 14.33 H new ATOM 0 HD2 LYS A 50 41.447 -40.531 -67.328 1.00 64.53 H new ATOM 0 HD3 LYS A 50 40.806 -40.431 -68.956 1.00 64.53 H new ATOM 0 HE2 LYS A 50 41.070 -37.992 -67.162 1.00 72.31 H new ATOM 0 HE3 LYS A 50 42.372 -38.534 -68.203 1.00 72.31 H new ATOM 0 HZ1 LYS A 50 41.014 -36.829 -69.256 1.00 41.52 H new ATOM 0 HZ2 LYS A 50 40.926 -38.288 -70.121 1.00 41.52 H new ATOM 0 HZ3 LYS A 50 39.635 -37.811 -69.127 1.00 41.52 H new ATOM 740 N LEU A 51 37.042 -42.075 -69.218 1.00 61.53 N ATOM 741 CA LEU A 51 37.025 -42.361 -70.649 1.00 24.22 C ATOM 742 C LEU A 51 36.808 -41.086 -71.456 1.00 43.53 C ATOM 743 O LEU A 51 35.808 -40.389 -71.278 1.00 64.33 O ATOM 744 CB LEU A 51 35.929 -43.377 -70.973 1.00 55.33 C ATOM 745 CG LEU A 51 35.861 -43.851 -72.425 1.00 41.04 C ATOM 746 CD1 LEU A 51 35.856 -45.370 -72.491 1.00 64.31 C ATOM 747 CD2 LEU A 51 34.630 -43.282 -73.116 1.00 3.42 C ATOM 0 H LEU A 51 36.218 -41.579 -68.877 1.00 61.53 H new ATOM 0 HA LEU A 51 37.993 -42.781 -70.922 1.00 24.22 H new ATOM 0 HB2 LEU A 51 36.069 -44.249 -70.334 1.00 55.33 H new ATOM 0 HB3 LEU A 51 34.966 -42.939 -70.709 1.00 55.33 H new ATOM 0 HG LEU A 51 36.746 -43.487 -72.947 1.00 41.04 H new ATOM 0 HD11 LEU A 51 35.807 -45.689 -73.532 1.00 64.31 H new ATOM 0 HD12 LEU A 51 36.767 -45.757 -72.035 1.00 64.31 H new ATOM 0 HD13 LEU A 51 34.990 -45.755 -71.953 1.00 64.31 H new ATOM 0 HD21 LEU A 51 34.599 -43.630 -74.148 1.00 3.42 H new ATOM 0 HD22 LEU A 51 33.733 -43.615 -72.593 1.00 3.42 H new ATOM 0 HD23 LEU A 51 34.675 -42.193 -73.102 1.00 3.42 H new ATOM 759 N ILE A 52 37.750 -40.787 -72.345 1.00 53.31 N ATOM 760 CA ILE A 52 37.659 -39.597 -73.182 1.00 42.12 C ATOM 761 C ILE A 52 37.798 -39.952 -74.659 1.00 1.33 C ATOM 762 O ILE A 52 38.840 -40.439 -75.095 1.00 0.11 O ATOM 763 CB ILE A 52 38.739 -38.563 -72.810 1.00 71.53 C ATOM 764 CG1 ILE A 52 40.126 -39.208 -72.847 1.00 4.53 C ATOM 765 CG2 ILE A 52 38.458 -37.975 -71.436 1.00 30.23 C ATOM 766 CD1 ILE A 52 41.084 -38.527 -73.800 1.00 75.33 C ATOM 0 H ILE A 52 38.584 -41.352 -72.504 1.00 53.31 H new ATOM 0 HA ILE A 52 36.675 -39.162 -73.006 1.00 42.12 H new ATOM 0 HB ILE A 52 38.715 -37.754 -73.541 1.00 71.53 H new ATOM 0 HG12 ILE A 52 40.552 -39.193 -71.844 1.00 4.53 H new ATOM 0 HG13 ILE A 52 40.024 -40.255 -73.134 1.00 4.53 H new ATOM 0 HG21 ILE A 52 39.230 -37.246 -71.187 1.00 30.23 H new ATOM 0 HG22 ILE A 52 37.484 -37.485 -71.442 1.00 30.23 H new ATOM 0 HG23 ILE A 52 38.458 -38.772 -70.692 1.00 30.23 H new ATOM 0 HD11 ILE A 52 42.047 -39.037 -73.774 1.00 75.33 H new ATOM 0 HD12 ILE A 52 40.680 -38.566 -74.812 1.00 75.33 H new ATOM 0 HD13 ILE A 52 41.216 -37.487 -73.502 1.00 75.33 H new ATOM 778 N ASN A 53 36.740 -39.702 -75.424 1.00 3.13 N ATOM 779 CA ASN A 53 36.744 -39.994 -76.853 1.00 5.24 C ATOM 780 C ASN A 53 36.831 -38.709 -77.670 1.00 41.41 C ATOM 781 O ASN A 53 35.998 -37.813 -77.529 1.00 33.51 O ATOM 782 CB ASN A 53 35.486 -40.773 -77.239 1.00 33.23 C ATOM 783 CG ASN A 53 35.277 -40.827 -78.740 1.00 14.32 C ATOM 784 OD1 ASN A 53 34.913 -39.829 -79.363 1.00 62.21 O ATOM 785 ND2 ASN A 53 35.506 -41.995 -79.328 1.00 34.34 N ATOM 0 H ASN A 53 35.869 -39.298 -75.078 1.00 3.13 H new ATOM 0 HA ASN A 53 37.621 -40.603 -77.072 1.00 5.24 H new ATOM 0 HB2 ASN A 53 35.556 -41.788 -76.848 1.00 33.23 H new ATOM 0 HB3 ASN A 53 34.617 -40.310 -76.770 1.00 33.23 H new ATOM 0 HD21 ASN A 53 35.382 -42.092 -80.336 1.00 34.34 H new ATOM 0 HD22 ASN A 53 35.806 -42.796 -78.772 1.00 34.34 H new ATOM 792 N ASP A 54 37.844 -38.625 -78.525 1.00 64.12 N ATOM 793 CA ASP A 54 38.040 -37.451 -79.367 1.00 54.41 C ATOM 794 C ASP A 54 37.882 -37.807 -80.842 1.00 65.00 C ATOM 795 O ASP A 54 38.476 -37.169 -81.712 1.00 32.13 O ATOM 796 CB ASP A 54 39.422 -36.844 -79.121 1.00 31.03 C ATOM 797 CG ASP A 54 39.413 -35.815 -78.007 1.00 74.31 C ATOM 798 OD1 ASP A 54 38.977 -36.157 -76.888 1.00 54.00 O ATOM 799 OD2 ASP A 54 39.840 -34.668 -78.255 1.00 24.32 O ATOM 0 H ASP A 54 38.543 -39.357 -78.653 1.00 64.12 H new ATOM 0 HA ASP A 54 37.278 -36.717 -79.106 1.00 54.41 H new ATOM 0 HB2 ASP A 54 40.125 -37.639 -78.872 1.00 31.03 H new ATOM 0 HB3 ASP A 54 39.780 -36.378 -80.039 1.00 31.03 H new ATOM 804 N SER A 55 37.080 -38.831 -81.116 1.00 42.20 N ATOM 805 CA SER A 55 36.849 -39.276 -82.485 1.00 51.43 C ATOM 806 C SER A 55 36.545 -38.091 -83.397 1.00 41.23 C ATOM 807 O SER A 55 36.181 -37.011 -82.931 1.00 10.21 O ATOM 808 CB SER A 55 35.694 -40.278 -82.530 1.00 52.33 C ATOM 809 OG SER A 55 35.459 -40.726 -83.854 1.00 13.11 O ATOM 0 H SER A 55 36.579 -39.368 -80.408 1.00 42.20 H new ATOM 0 HA SER A 55 37.757 -39.763 -82.841 1.00 51.43 H new ATOM 0 HB2 SER A 55 35.922 -41.130 -81.890 1.00 52.33 H new ATOM 0 HB3 SER A 55 34.791 -39.814 -82.134 1.00 52.33 H new ATOM 0 HG SER A 55 34.717 -41.367 -83.856 1.00 13.11 H new ATOM 815 N HIS A 56 36.697 -38.301 -84.701 1.00 24.30 N ATOM 816 CA HIS A 56 36.439 -37.252 -85.680 1.00 41.52 C ATOM 817 C HIS A 56 36.178 -37.848 -87.060 1.00 12.10 C ATOM 818 O HIS A 56 36.856 -38.785 -87.482 1.00 31.24 O ATOM 819 CB HIS A 56 37.621 -36.284 -85.745 1.00 51.35 C ATOM 820 CG HIS A 56 37.516 -35.284 -86.856 1.00 13.14 C ATOM 821 ND1 HIS A 56 36.451 -34.418 -86.990 1.00 41.11 N ATOM 822 CD2 HIS A 56 38.351 -35.014 -87.886 1.00 11.20 C ATOM 823 CE1 HIS A 56 36.635 -33.660 -88.056 1.00 41.31 C ATOM 824 NE2 HIS A 56 37.781 -34.001 -88.617 1.00 50.14 N ATOM 0 H HIS A 56 36.998 -39.189 -85.104 1.00 24.30 H new ATOM 0 HA HIS A 56 35.549 -36.707 -85.365 1.00 41.52 H new ATOM 0 HB2 HIS A 56 37.698 -35.754 -84.796 1.00 51.35 H new ATOM 0 HB3 HIS A 56 38.541 -36.855 -85.867 1.00 51.35 H new ATOM 0 HD2 HIS A 56 39.291 -35.504 -88.094 1.00 11.20 H new ATOM 0 HE1 HIS A 56 35.963 -32.892 -88.409 1.00 41.31 H new ATOM 0 HE2 HIS A 56 38.178 -33.580 -89.457 1.00 50.14 H new ATOM 1069 N THR A 75 46.186 -40.939 -81.964 1.00 14.21 N ATOM 1070 CA THR A 75 45.071 -41.466 -81.186 1.00 42.15 C ATOM 1071 C THR A 75 44.064 -40.370 -80.857 1.00 32.40 C ATOM 1072 O THR A 75 44.130 -39.268 -81.401 1.00 41.25 O ATOM 1073 CB THR A 75 45.557 -42.112 -79.875 1.00 71.23 C ATOM 1074 OG1 THR A 75 45.751 -41.106 -78.875 1.00 53.34 O ATOM 1075 CG2 THR A 75 46.856 -42.872 -80.096 1.00 22.25 C ATOM 0 HA THR A 75 44.588 -42.226 -81.800 1.00 42.15 H new ATOM 0 HB THR A 75 44.795 -42.815 -79.538 1.00 71.23 H new ATOM 0 HG1 THR A 75 46.636 -41.215 -78.468 1.00 53.34 H new ATOM 0 HG21 THR A 75 47.180 -43.320 -79.156 1.00 22.25 H new ATOM 0 HG22 THR A 75 46.697 -43.656 -80.836 1.00 22.25 H new ATOM 0 HG23 THR A 75 47.623 -42.185 -80.454 1.00 22.25 H new ATOM 1083 N HIS A 76 43.131 -40.680 -79.962 1.00 22.12 N ATOM 1084 CA HIS A 76 42.110 -39.720 -79.559 1.00 33.24 C ATOM 1085 C HIS A 76 41.264 -40.275 -78.416 1.00 54.35 C ATOM 1086 O HIS A 76 40.747 -39.522 -77.590 1.00 43.35 O ATOM 1087 CB HIS A 76 41.215 -39.367 -80.747 1.00 13.43 C ATOM 1088 CG HIS A 76 41.534 -38.040 -81.363 1.00 41.43 C ATOM 1089 ND1 HIS A 76 42.091 -36.996 -80.656 1.00 4.44 N ATOM 1090 CD2 HIS A 76 41.373 -37.590 -82.630 1.00 30.02 C ATOM 1091 CE1 HIS A 76 42.258 -35.961 -81.460 1.00 14.44 C ATOM 1092 NE2 HIS A 76 41.830 -36.296 -82.664 1.00 11.54 N ATOM 0 H HIS A 76 43.061 -41.588 -79.503 1.00 22.12 H new ATOM 0 HA HIS A 76 42.612 -38.817 -79.211 1.00 33.24 H new ATOM 0 HB2 HIS A 76 41.310 -40.143 -81.506 1.00 13.43 H new ATOM 0 HB3 HIS A 76 40.175 -39.366 -80.420 1.00 13.43 H new ATOM 0 HD2 HIS A 76 40.962 -38.146 -83.460 1.00 30.02 H new ATOM 0 HE1 HIS A 76 42.674 -35.004 -81.181 1.00 14.44 H new ATOM 0 HE2 HIS A 76 41.838 -35.691 -83.485 1.00 11.54 H new ATOM 1100 N PHE A 77 41.125 -41.596 -78.376 1.00 42.24 N ATOM 1101 CA PHE A 77 40.340 -42.251 -77.337 1.00 23.12 C ATOM 1102 C PHE A 77 41.247 -42.979 -76.349 1.00 33.44 C ATOM 1103 O PHE A 77 42.212 -43.634 -76.742 1.00 60.40 O ATOM 1104 CB PHE A 77 39.350 -43.237 -77.961 1.00 25.24 C ATOM 1105 CG PHE A 77 38.744 -44.187 -76.968 1.00 22.05 C ATOM 1106 CD1 PHE A 77 39.359 -45.395 -76.679 1.00 45.34 C ATOM 1107 CD2 PHE A 77 37.560 -43.872 -76.322 1.00 35.22 C ATOM 1108 CE1 PHE A 77 38.803 -46.271 -75.767 1.00 2.34 C ATOM 1109 CE2 PHE A 77 36.999 -44.744 -75.408 1.00 33.23 C ATOM 1110 CZ PHE A 77 37.622 -45.945 -75.129 1.00 41.40 C ATOM 0 H PHE A 77 41.546 -42.234 -79.051 1.00 42.24 H new ATOM 0 HA PHE A 77 39.785 -41.484 -76.797 1.00 23.12 H new ATOM 0 HB2 PHE A 77 38.552 -42.678 -78.450 1.00 25.24 H new ATOM 0 HB3 PHE A 77 39.860 -43.810 -78.736 1.00 25.24 H new ATOM 0 HD1 PHE A 77 40.284 -45.654 -77.173 1.00 45.34 H new ATOM 0 HD2 PHE A 77 37.069 -42.934 -76.535 1.00 35.22 H new ATOM 0 HE1 PHE A 77 39.291 -47.210 -75.553 1.00 2.34 H new ATOM 0 HE2 PHE A 77 36.075 -44.487 -74.912 1.00 33.23 H new ATOM 0 HZ PHE A 77 37.187 -46.627 -74.414 1.00 41.40 H new ATOM 1120 N ARG A 78 40.929 -42.859 -75.064 1.00 34.41 N ATOM 1121 CA ARG A 78 41.714 -43.504 -74.019 1.00 24.22 C ATOM 1122 C ARG A 78 40.829 -43.904 -72.842 1.00 24.22 C ATOM 1123 O ARG A 78 39.898 -43.185 -72.479 1.00 53.20 O ATOM 1124 CB ARG A 78 42.828 -42.571 -73.539 1.00 70.24 C ATOM 1125 CG ARG A 78 42.427 -41.699 -72.361 1.00 54.23 C ATOM 1126 CD ARG A 78 43.220 -40.402 -72.333 1.00 2.14 C ATOM 1127 NE ARG A 78 44.532 -40.577 -71.715 1.00 41.42 N ATOM 1128 CZ ARG A 78 45.450 -39.618 -71.656 1.00 32.03 C ATOM 1129 NH1 ARG A 78 45.200 -38.423 -72.173 1.00 73.23 N ATOM 1130 NH2 ARG A 78 46.620 -39.854 -71.077 1.00 45.42 N ATOM 0 H ARG A 78 40.133 -42.321 -74.722 1.00 34.41 H new ATOM 0 HA ARG A 78 42.160 -44.406 -74.439 1.00 24.22 H new ATOM 0 HB2 ARG A 78 43.695 -43.169 -73.259 1.00 70.24 H new ATOM 0 HB3 ARG A 78 43.136 -41.931 -74.366 1.00 70.24 H new ATOM 0 HG2 ARG A 78 41.362 -41.474 -72.419 1.00 54.23 H new ATOM 0 HG3 ARG A 78 42.587 -42.245 -71.431 1.00 54.23 H new ATOM 0 HD2 ARG A 78 43.345 -40.031 -73.350 1.00 2.14 H new ATOM 0 HD3 ARG A 78 42.659 -39.645 -71.785 1.00 2.14 H new ATOM 0 HE ARG A 78 44.756 -41.485 -71.307 1.00 41.42 H new ATOM 0 HH11 ARG A 78 44.301 -38.238 -72.618 1.00 73.23 H new ATOM 0 HH12 ARG A 78 45.907 -37.689 -72.126 1.00 73.23 H new ATOM 0 HH21 ARG A 78 46.815 -40.772 -70.677 1.00 45.42 H new ATOM 0 HH22 ARG A 78 47.324 -39.118 -71.032 1.00 45.42 H new ATOM 1144 N LEU A 79 41.126 -45.056 -72.250 1.00 4.43 N ATOM 1145 CA LEU A 79 40.358 -45.552 -71.114 1.00 31.35 C ATOM 1146 C LEU A 79 41.279 -45.949 -69.965 1.00 23.44 C ATOM 1147 O LEU A 79 42.171 -46.781 -70.131 1.00 41.42 O ATOM 1148 CB LEU A 79 39.504 -46.750 -71.535 1.00 11.54 C ATOM 1149 CG LEU A 79 38.514 -47.268 -70.491 1.00 21.12 C ATOM 1150 CD1 LEU A 79 39.232 -48.105 -69.444 1.00 22.13 C ATOM 1151 CD2 LEU A 79 37.775 -46.111 -69.836 1.00 15.33 C ATOM 0 H LEU A 79 41.893 -45.664 -72.538 1.00 4.43 H new ATOM 0 HA LEU A 79 39.705 -44.750 -70.771 1.00 31.35 H new ATOM 0 HB2 LEU A 79 38.947 -46.477 -72.431 1.00 11.54 H new ATOM 0 HB3 LEU A 79 40.171 -47.567 -71.811 1.00 11.54 H new ATOM 0 HG LEU A 79 37.783 -47.901 -70.994 1.00 21.12 H new ATOM 0 HD11 LEU A 79 38.512 -48.465 -68.709 1.00 22.13 H new ATOM 0 HD12 LEU A 79 39.714 -48.955 -69.926 1.00 22.13 H new ATOM 0 HD13 LEU A 79 39.985 -47.495 -68.945 1.00 22.13 H new ATOM 0 HD21 LEU A 79 37.075 -46.499 -69.096 1.00 15.33 H new ATOM 0 HD22 LEU A 79 38.492 -45.452 -69.347 1.00 15.33 H new ATOM 0 HD23 LEU A 79 37.228 -45.552 -70.595 1.00 15.33 H new ATOM 1163 N GLU A 80 41.055 -45.351 -68.799 1.00 42.30 N ATOM 1164 CA GLU A 80 41.865 -45.644 -67.622 1.00 41.34 C ATOM 1165 C GLU A 80 41.007 -45.657 -66.361 1.00 11.33 C ATOM 1166 O GLU A 80 40.178 -44.771 -66.151 1.00 75.42 O ATOM 1167 CB GLU A 80 42.987 -44.613 -67.479 1.00 21.24 C ATOM 1168 CG GLU A 80 43.997 -44.651 -68.613 1.00 51.44 C ATOM 1169 CD GLU A 80 44.780 -43.358 -68.741 1.00 34.15 C ATOM 1170 OE1 GLU A 80 44.810 -42.585 -67.760 1.00 41.12 O ATOM 1171 OE2 GLU A 80 45.361 -43.120 -69.819 1.00 41.45 O ATOM 0 H GLU A 80 40.320 -44.661 -68.644 1.00 42.30 H new ATOM 0 HA GLU A 80 42.304 -46.633 -67.751 1.00 41.34 H new ATOM 0 HB2 GLU A 80 42.549 -43.616 -67.427 1.00 21.24 H new ATOM 0 HB3 GLU A 80 43.506 -44.782 -66.536 1.00 21.24 H new ATOM 0 HG2 GLU A 80 44.690 -45.476 -68.450 1.00 51.44 H new ATOM 0 HG3 GLU A 80 43.478 -44.851 -69.550 1.00 51.44 H new ATOM 1178 N VAL A 81 41.212 -46.668 -65.523 1.00 23.12 N ATOM 1179 CA VAL A 81 40.459 -46.797 -64.281 1.00 73.44 C ATOM 1180 C VAL A 81 41.387 -46.790 -63.072 1.00 33.22 C ATOM 1181 O VAL A 81 42.466 -47.382 -63.099 1.00 62.42 O ATOM 1182 CB VAL A 81 39.622 -48.090 -64.265 1.00 31.41 C ATOM 1183 CG1 VAL A 81 38.866 -48.254 -65.574 1.00 72.15 C ATOM 1184 CG2 VAL A 81 40.510 -49.296 -63.998 1.00 64.14 C ATOM 0 H VAL A 81 41.894 -47.410 -65.682 1.00 23.12 H new ATOM 0 HA VAL A 81 39.790 -45.938 -64.226 1.00 73.44 H new ATOM 0 HB VAL A 81 38.892 -48.019 -63.459 1.00 31.41 H new ATOM 0 HG11 VAL A 81 38.281 -49.173 -65.543 1.00 72.15 H new ATOM 0 HG12 VAL A 81 38.199 -47.404 -65.718 1.00 72.15 H new ATOM 0 HG13 VAL A 81 39.575 -48.303 -66.400 1.00 72.15 H new ATOM 0 HG21 VAL A 81 39.902 -50.201 -63.990 1.00 64.14 H new ATOM 0 HG22 VAL A 81 41.265 -49.373 -64.781 1.00 64.14 H new ATOM 0 HG23 VAL A 81 41.000 -49.180 -63.031 1.00 64.14 H new ATOM 1194 N THR A 82 40.959 -46.116 -62.009 1.00 4.32 N ATOM 1195 CA THR A 82 41.752 -46.030 -60.789 1.00 32.24 C ATOM 1196 C THR A 82 41.000 -46.623 -59.602 1.00 51.52 C ATOM 1197 O THR A 82 39.968 -46.098 -59.185 1.00 13.34 O ATOM 1198 CB THR A 82 42.131 -44.573 -60.466 1.00 13.52 C ATOM 1199 OG1 THR A 82 42.809 -43.984 -61.581 1.00 63.31 O ATOM 1200 CG2 THR A 82 43.018 -44.505 -59.232 1.00 44.33 C ATOM 0 H THR A 82 40.068 -45.622 -61.968 1.00 4.32 H new ATOM 0 HA THR A 82 42.662 -46.604 -60.963 1.00 32.24 H new ATOM 0 HB THR A 82 41.214 -44.019 -60.265 1.00 13.52 H new ATOM 0 HG1 THR A 82 43.045 -43.057 -61.368 1.00 63.31 H new ATOM 0 HG21 THR A 82 43.273 -43.466 -59.024 1.00 44.33 H new ATOM 0 HG22 THR A 82 42.487 -44.927 -58.379 1.00 44.33 H new ATOM 0 HG23 THR A 82 43.931 -45.074 -59.408 1.00 44.33 H new ATOM 1208 N SER A 83 41.524 -47.718 -59.063 1.00 21.34 N ATOM 1209 CA SER A 83 40.900 -48.384 -57.925 1.00 60.02 C ATOM 1210 C SER A 83 41.804 -48.324 -56.698 1.00 22.52 C ATOM 1211 O SER A 83 42.799 -49.044 -56.610 1.00 60.55 O ATOM 1212 CB SER A 83 40.584 -49.841 -58.270 1.00 44.30 C ATOM 1213 OG SER A 83 40.569 -50.041 -59.673 1.00 2.02 O ATOM 0 H SER A 83 42.379 -48.164 -59.395 1.00 21.34 H new ATOM 0 HA SER A 83 39.971 -47.863 -57.695 1.00 60.02 H new ATOM 0 HB2 SER A 83 41.327 -50.495 -57.814 1.00 44.30 H new ATOM 0 HB3 SER A 83 39.617 -50.116 -57.850 1.00 44.30 H new ATOM 0 HG SER A 83 39.868 -49.487 -60.075 1.00 2.02 H new ATOM 1219 N ASP A 84 41.451 -47.461 -55.752 1.00 71.20 N ATOM 1220 CA ASP A 84 42.229 -47.307 -54.528 1.00 53.02 C ATOM 1221 C ASP A 84 43.580 -46.662 -54.821 1.00 30.23 C ATOM 1222 O ASP A 84 44.438 -46.569 -53.943 1.00 75.40 O ATOM 1223 CB ASP A 84 42.433 -48.665 -53.854 1.00 12.52 C ATOM 1224 CG ASP A 84 41.182 -49.521 -53.887 1.00 25.21 C ATOM 1225 OD1 ASP A 84 40.098 -49.001 -53.551 1.00 23.04 O ATOM 1226 OD2 ASP A 84 41.288 -50.712 -54.248 1.00 61.13 O ATOM 0 H ASP A 84 40.631 -46.857 -55.809 1.00 71.20 H new ATOM 0 HA ASP A 84 41.674 -46.655 -53.853 1.00 53.02 H new ATOM 0 HB2 ASP A 84 43.246 -49.195 -54.350 1.00 12.52 H new ATOM 0 HB3 ASP A 84 42.738 -48.512 -52.819 1.00 12.52 H new ATOM 1231 N ALA A 85 43.762 -46.219 -56.060 1.00 65.13 N ATOM 1232 CA ALA A 85 45.009 -45.582 -56.468 1.00 74.43 C ATOM 1233 C ALA A 85 46.216 -46.389 -56.001 1.00 54.23 C ATOM 1234 O ALA A 85 46.847 -46.056 -54.998 1.00 41.43 O ATOM 1235 CB ALA A 85 45.078 -44.163 -55.926 1.00 0.41 C ATOM 0 H ALA A 85 43.062 -46.289 -56.799 1.00 65.13 H new ATOM 0 HA ALA A 85 45.030 -45.544 -57.557 1.00 74.43 H new ATOM 0 HB1 ALA A 85 46.014 -43.699 -56.238 1.00 0.41 H new ATOM 0 HB2 ALA A 85 44.239 -43.584 -56.313 1.00 0.41 H new ATOM 0 HB3 ALA A 85 45.030 -44.187 -54.837 1.00 0.41 H new ATOM 1241 N PHE A 86 46.531 -47.452 -56.734 1.00 51.53 N ATOM 1242 CA PHE A 86 47.662 -48.307 -56.394 1.00 11.22 C ATOM 1243 C PHE A 86 47.782 -49.467 -57.378 1.00 3.31 C ATOM 1244 O PHE A 86 47.211 -50.537 -57.168 1.00 14.33 O ATOM 1245 CB PHE A 86 47.511 -48.845 -54.970 1.00 33.35 C ATOM 1246 CG PHE A 86 48.486 -48.248 -53.996 1.00 41.21 C ATOM 1247 CD1 PHE A 86 49.848 -48.280 -54.251 1.00 55.33 C ATOM 1248 CD2 PHE A 86 48.041 -47.655 -52.826 1.00 4.45 C ATOM 1249 CE1 PHE A 86 50.748 -47.730 -53.358 1.00 32.52 C ATOM 1250 CE2 PHE A 86 48.937 -47.103 -51.929 1.00 31.34 C ATOM 1251 CZ PHE A 86 50.292 -47.142 -52.194 1.00 73.44 C ATOM 0 H PHE A 86 46.019 -47.742 -57.567 1.00 51.53 H new ATOM 0 HA PHE A 86 48.570 -47.707 -56.454 1.00 11.22 H new ATOM 0 HB2 PHE A 86 46.497 -48.649 -54.622 1.00 33.35 H new ATOM 0 HB3 PHE A 86 47.640 -49.927 -54.984 1.00 33.35 H new ATOM 0 HD1 PHE A 86 50.210 -48.740 -55.158 1.00 55.33 H new ATOM 0 HD2 PHE A 86 46.983 -47.623 -52.612 1.00 4.45 H new ATOM 0 HE1 PHE A 86 51.807 -47.760 -53.570 1.00 32.52 H new ATOM 0 HE2 PHE A 86 48.577 -46.641 -51.021 1.00 31.34 H new ATOM 0 HZ PHE A 86 50.993 -46.714 -51.493 1.00 73.44 H new ATOM 1261 N LYS A 87 48.530 -49.246 -58.454 1.00 71.40 N ATOM 1262 CA LYS A 87 48.728 -50.271 -59.472 1.00 35.51 C ATOM 1263 C LYS A 87 49.614 -51.396 -58.947 1.00 3.03 C ATOM 1264 O LYS A 87 50.667 -51.147 -58.361 1.00 20.23 O ATOM 1265 CB LYS A 87 49.352 -49.659 -60.727 1.00 44.14 C ATOM 1266 CG LYS A 87 49.070 -50.448 -61.994 1.00 51.33 C ATOM 1267 CD LYS A 87 49.094 -49.555 -63.224 1.00 33.32 C ATOM 1268 CE LYS A 87 49.980 -50.134 -64.316 1.00 23.23 C ATOM 1269 NZ LYS A 87 50.136 -49.194 -65.460 1.00 63.21 N ATOM 0 H LYS A 87 49.009 -48.366 -58.643 1.00 71.40 H new ATOM 0 HA LYS A 87 47.754 -50.689 -59.725 1.00 35.51 H new ATOM 0 HB2 LYS A 87 48.977 -48.643 -60.851 1.00 44.14 H new ATOM 0 HB3 LYS A 87 50.431 -49.586 -60.587 1.00 44.14 H new ATOM 0 HG2 LYS A 87 49.811 -51.240 -62.103 1.00 51.33 H new ATOM 0 HG3 LYS A 87 48.097 -50.932 -61.913 1.00 51.33 H new ATOM 0 HD2 LYS A 87 48.080 -49.431 -63.604 1.00 33.32 H new ATOM 0 HD3 LYS A 87 49.455 -48.564 -62.948 1.00 33.32 H new ATOM 0 HE2 LYS A 87 50.961 -50.368 -63.902 1.00 23.23 H new ATOM 0 HE3 LYS A 87 49.552 -51.071 -64.672 1.00 23.23 H new ATOM 0 HZ1 LYS A 87 50.747 -49.625 -66.183 1.00 63.21 H new ATOM 0 HZ2 LYS A 87 49.203 -48.990 -65.872 1.00 63.21 H new ATOM 0 HZ3 LYS A 87 50.568 -48.309 -65.126 1.00 63.21 H new ATOM 1283 N GLY A 88 49.182 -52.635 -59.162 1.00 52.32 N ATOM 1284 CA GLY A 88 49.949 -53.778 -58.705 1.00 63.53 C ATOM 1285 C GLY A 88 49.720 -55.009 -59.560 1.00 23.20 C ATOM 1286 O GLY A 88 50.654 -55.762 -59.840 1.00 71.24 O ATOM 0 H GLY A 88 48.314 -52.867 -59.645 1.00 52.32 H new ATOM 0 HA2 GLY A 88 51.010 -53.526 -58.712 1.00 63.53 H new ATOM 0 HA3 GLY A 88 49.682 -54.002 -57.672 1.00 63.53 H new ATOM 1290 N LEU A 89 48.475 -55.216 -59.974 1.00 62.42 N ATOM 1291 CA LEU A 89 48.125 -56.366 -60.801 1.00 64.21 C ATOM 1292 C LEU A 89 48.093 -55.985 -62.278 1.00 22.32 C ATOM 1293 O LEU A 89 47.970 -54.810 -62.625 1.00 62.11 O ATOM 1294 CB LEU A 89 46.767 -56.929 -60.378 1.00 63.02 C ATOM 1295 CG LEU A 89 46.801 -58.072 -59.363 1.00 62.23 C ATOM 1296 CD1 LEU A 89 45.565 -58.037 -58.479 1.00 33.44 C ATOM 1297 CD2 LEU A 89 46.913 -59.413 -60.074 1.00 22.21 C ATOM 0 H LEU A 89 47.691 -54.603 -59.751 1.00 62.42 H new ATOM 0 HA LEU A 89 48.889 -57.131 -60.659 1.00 64.21 H new ATOM 0 HB2 LEU A 89 46.173 -56.116 -59.960 1.00 63.02 H new ATOM 0 HB3 LEU A 89 46.247 -57.277 -61.270 1.00 63.02 H new ATOM 0 HG LEU A 89 47.679 -57.945 -58.730 1.00 62.23 H new ATOM 0 HD11 LEU A 89 45.606 -58.858 -57.763 1.00 33.44 H new ATOM 0 HD12 LEU A 89 45.528 -57.089 -57.943 1.00 33.44 H new ATOM 0 HD13 LEU A 89 44.673 -58.139 -59.097 1.00 33.44 H new ATOM 0 HD21 LEU A 89 46.936 -60.215 -59.336 1.00 22.21 H new ATOM 0 HD22 LEU A 89 46.054 -59.549 -60.731 1.00 22.21 H new ATOM 0 HD23 LEU A 89 47.829 -59.437 -60.664 1.00 22.21 H new ATOM 1309 N THR A 90 48.203 -56.987 -63.145 1.00 34.32 N ATOM 1310 CA THR A 90 48.185 -56.758 -64.584 1.00 21.11 C ATOM 1311 C THR A 90 47.026 -55.852 -64.982 1.00 52.13 C ATOM 1312 O THR A 90 45.864 -56.259 -64.942 1.00 71.14 O ATOM 1313 CB THR A 90 48.077 -58.083 -65.362 1.00 42.25 C ATOM 1314 OG1 THR A 90 46.785 -58.666 -65.160 1.00 24.41 O ATOM 1315 CG2 THR A 90 49.156 -59.060 -64.920 1.00 32.03 C ATOM 0 H THR A 90 48.306 -57.965 -62.875 1.00 34.32 H new ATOM 0 HA THR A 90 49.127 -56.271 -64.839 1.00 21.11 H new ATOM 0 HB THR A 90 48.216 -57.869 -66.422 1.00 42.25 H new ATOM 0 HG1 THR A 90 46.155 -57.973 -64.871 1.00 24.41 H new ATOM 0 HG21 THR A 90 49.059 -59.988 -65.483 1.00 32.03 H new ATOM 0 HG22 THR A 90 50.138 -58.625 -65.104 1.00 32.03 H new ATOM 0 HG23 THR A 90 49.045 -59.268 -63.856 1.00 32.03 H new ATOM 1323 N LEU A 91 47.348 -54.622 -65.367 1.00 52.10 N ATOM 1324 CA LEU A 91 46.332 -53.657 -65.774 1.00 62.11 C ATOM 1325 C LEU A 91 45.447 -54.231 -66.876 1.00 11.51 C ATOM 1326 O LEU A 91 44.273 -53.878 -66.990 1.00 50.23 O ATOM 1327 CB LEU A 91 46.993 -52.364 -66.256 1.00 72.30 C ATOM 1328 CG LEU A 91 47.652 -52.421 -67.635 1.00 12.34 C ATOM 1329 CD1 LEU A 91 47.836 -51.019 -68.196 1.00 72.41 C ATOM 1330 CD2 LEU A 91 48.987 -53.146 -67.558 1.00 63.20 C ATOM 0 H LEU A 91 48.304 -54.269 -65.406 1.00 52.10 H new ATOM 0 HA LEU A 91 45.707 -53.437 -64.909 1.00 62.11 H new ATOM 0 HB2 LEU A 91 46.239 -51.577 -66.268 1.00 72.30 H new ATOM 0 HB3 LEU A 91 47.748 -52.072 -65.526 1.00 72.30 H new ATOM 0 HG LEU A 91 46.998 -52.977 -68.307 1.00 12.34 H new ATOM 0 HD11 LEU A 91 48.306 -51.079 -69.178 1.00 72.41 H new ATOM 0 HD12 LEU A 91 46.864 -50.534 -68.288 1.00 72.41 H new ATOM 0 HD13 LEU A 91 48.469 -50.439 -67.525 1.00 72.41 H new ATOM 0 HD21 LEU A 91 49.442 -53.177 -68.548 1.00 63.20 H new ATOM 0 HD22 LEU A 91 49.649 -52.618 -66.871 1.00 63.20 H new ATOM 0 HD23 LEU A 91 48.829 -54.163 -67.199 1.00 63.20 H new ATOM 1342 N VAL A 92 46.017 -55.119 -67.684 1.00 41.30 N ATOM 1343 CA VAL A 92 45.279 -55.744 -68.775 1.00 20.11 C ATOM 1344 C VAL A 92 44.070 -56.511 -68.252 1.00 21.55 C ATOM 1345 O VAL A 92 43.138 -56.809 -68.999 1.00 63.41 O ATOM 1346 CB VAL A 92 46.174 -56.705 -69.580 1.00 22.13 C ATOM 1347 CG1 VAL A 92 47.412 -55.982 -70.088 1.00 22.30 C ATOM 1348 CG2 VAL A 92 46.559 -57.909 -68.733 1.00 4.31 C ATOM 0 H VAL A 92 46.988 -55.422 -67.604 1.00 41.30 H new ATOM 0 HA VAL A 92 44.941 -54.941 -69.429 1.00 20.11 H new ATOM 0 HB VAL A 92 45.611 -57.062 -70.443 1.00 22.13 H new ATOM 0 HG11 VAL A 92 48.032 -56.677 -70.654 1.00 22.30 H new ATOM 0 HG12 VAL A 92 47.112 -55.155 -70.732 1.00 22.30 H new ATOM 0 HG13 VAL A 92 47.980 -55.595 -69.242 1.00 22.30 H new ATOM 0 HG21 VAL A 92 47.191 -58.578 -69.317 1.00 4.31 H new ATOM 0 HG22 VAL A 92 47.104 -57.574 -67.850 1.00 4.31 H new ATOM 0 HG23 VAL A 92 45.658 -58.439 -68.424 1.00 4.31 H new ATOM 1358 N LYS A 93 44.091 -56.829 -66.961 1.00 50.15 N ATOM 1359 CA LYS A 93 42.996 -57.560 -66.335 1.00 62.42 C ATOM 1360 C LYS A 93 41.732 -56.709 -66.284 1.00 11.42 C ATOM 1361 O LYS A 93 40.656 -57.154 -66.683 1.00 14.22 O ATOM 1362 CB LYS A 93 43.389 -57.995 -64.921 1.00 72.24 C ATOM 1363 CG LYS A 93 42.242 -58.600 -64.130 1.00 53.53 C ATOM 1364 CD LYS A 93 41.778 -57.670 -63.022 1.00 0.53 C ATOM 1365 CE LYS A 93 41.404 -58.442 -61.766 1.00 23.11 C ATOM 1366 NZ LYS A 93 42.608 -58.916 -61.028 1.00 34.42 N ATOM 0 H LYS A 93 44.855 -56.591 -66.328 1.00 50.15 H new ATOM 0 HA LYS A 93 42.792 -58.445 -66.937 1.00 62.42 H new ATOM 0 HB2 LYS A 93 44.198 -58.722 -64.985 1.00 72.24 H new ATOM 0 HB3 LYS A 93 43.778 -57.133 -64.379 1.00 72.24 H new ATOM 0 HG2 LYS A 93 41.409 -58.813 -64.800 1.00 53.53 H new ATOM 0 HG3 LYS A 93 42.557 -59.551 -63.700 1.00 53.53 H new ATOM 0 HD2 LYS A 93 42.568 -56.956 -62.790 1.00 0.53 H new ATOM 0 HD3 LYS A 93 40.919 -57.094 -63.365 1.00 0.53 H new ATOM 0 HE2 LYS A 93 40.805 -57.806 -61.114 1.00 23.11 H new ATOM 0 HE3 LYS A 93 40.784 -59.297 -62.036 1.00 23.11 H new ATOM 0 HZ1 LYS A 93 42.342 -59.698 -60.396 1.00 34.42 H new ATOM 0 HZ2 LYS A 93 43.323 -59.247 -61.707 1.00 34.42 H new ATOM 0 HZ3 LYS A 93 43.000 -58.134 -60.466 1.00 34.42 H new ATOM 1380 N ARG A 94 41.870 -55.482 -65.792 1.00 11.14 N ATOM 1381 CA ARG A 94 40.739 -54.568 -65.689 1.00 35.12 C ATOM 1382 C ARG A 94 40.237 -54.166 -67.073 1.00 34.44 C ATOM 1383 O ARG A 94 39.036 -54.202 -67.343 1.00 52.45 O ATOM 1384 CB ARG A 94 41.133 -53.321 -64.896 1.00 4.11 C ATOM 1385 CG ARG A 94 41.391 -53.592 -63.423 1.00 14.14 C ATOM 1386 CD ARG A 94 40.094 -53.632 -62.629 1.00 0.31 C ATOM 1387 NE ARG A 94 39.349 -52.380 -62.734 1.00 41.12 N ATOM 1388 CZ ARG A 94 38.167 -52.178 -62.163 1.00 3.35 C ATOM 1389 NH1 ARG A 94 37.599 -53.140 -61.449 1.00 2.35 N ATOM 1390 NH2 ARG A 94 37.551 -51.011 -62.304 1.00 44.01 N ATOM 0 H ARG A 94 42.754 -55.098 -65.458 1.00 11.14 H new ATOM 0 HA ARG A 94 39.935 -55.084 -65.165 1.00 35.12 H new ATOM 0 HB2 ARG A 94 42.029 -52.887 -65.339 1.00 4.11 H new ATOM 0 HB3 ARG A 94 40.341 -52.578 -64.987 1.00 4.11 H new ATOM 0 HG2 ARG A 94 41.916 -54.541 -63.313 1.00 14.14 H new ATOM 0 HG3 ARG A 94 42.043 -52.818 -63.018 1.00 14.14 H new ATOM 0 HD2 ARG A 94 39.474 -54.454 -62.988 1.00 0.31 H new ATOM 0 HD3 ARG A 94 40.316 -53.835 -61.581 1.00 0.31 H new ATOM 0 HE ARG A 94 39.759 -51.619 -63.276 1.00 41.12 H new ATOM 0 HH11 ARG A 94 38.070 -54.038 -61.337 1.00 2.35 H new ATOM 0 HH12 ARG A 94 36.691 -52.982 -61.012 1.00 2.35 H new ATOM 0 HH21 ARG A 94 37.985 -50.268 -62.851 1.00 44.01 H new ATOM 0 HH22 ARG A 94 36.643 -50.857 -61.865 1.00 44.01 H new ATOM 1404 N HIS A 95 41.164 -53.784 -67.945 1.00 30.20 N ATOM 1405 CA HIS A 95 40.816 -53.376 -69.301 1.00 53.32 C ATOM 1406 C HIS A 95 40.134 -54.515 -70.054 1.00 2.34 C ATOM 1407 O HIS A 95 39.240 -54.285 -70.867 1.00 71.12 O ATOM 1408 CB HIS A 95 42.066 -52.925 -70.058 1.00 33.34 C ATOM 1409 CG HIS A 95 41.890 -52.901 -71.545 1.00 15.42 C ATOM 1410 ND1 HIS A 95 42.806 -53.444 -72.420 1.00 52.13 N ATOM 1411 CD2 HIS A 95 40.894 -52.395 -72.310 1.00 61.00 C ATOM 1412 CE1 HIS A 95 42.382 -53.272 -73.660 1.00 25.11 C ATOM 1413 NE2 HIS A 95 41.224 -52.638 -73.621 1.00 22.55 N ATOM 0 H HIS A 95 42.162 -53.748 -67.737 1.00 30.20 H new ATOM 0 HA HIS A 95 40.120 -52.540 -69.234 1.00 53.32 H new ATOM 0 HB2 HIS A 95 42.347 -51.928 -69.718 1.00 33.34 H new ATOM 0 HB3 HIS A 95 42.892 -53.591 -69.809 1.00 33.34 H new ATOM 0 HD1 HIS A 95 43.675 -53.906 -72.153 1.00 52.13 H new ATOM 0 HD2 HIS A 95 40.006 -51.894 -71.955 1.00 61.00 H new ATOM 0 HE1 HIS A 95 42.895 -53.595 -74.554 1.00 25.11 H new ATOM 1421 N GLN A 96 40.564 -55.741 -69.776 1.00 71.40 N ATOM 1422 CA GLN A 96 39.996 -56.915 -70.428 1.00 74.23 C ATOM 1423 C GLN A 96 38.605 -57.221 -69.883 1.00 33.24 C ATOM 1424 O GLN A 96 37.734 -57.704 -70.608 1.00 51.51 O ATOM 1425 CB GLN A 96 40.910 -58.126 -70.234 1.00 4.31 C ATOM 1426 CG GLN A 96 40.293 -59.436 -70.696 1.00 54.53 C ATOM 1427 CD GLN A 96 41.271 -60.304 -71.463 1.00 12.50 C ATOM 1428 OE1 GLN A 96 41.086 -60.567 -72.652 1.00 14.25 O ATOM 1429 NE2 GLN A 96 42.320 -60.754 -70.785 1.00 44.44 N ATOM 0 H GLN A 96 41.303 -55.947 -69.104 1.00 71.40 H new ATOM 0 HA GLN A 96 39.910 -56.701 -71.493 1.00 74.23 H new ATOM 0 HB2 GLN A 96 41.839 -57.960 -70.779 1.00 4.31 H new ATOM 0 HB3 GLN A 96 41.170 -58.209 -69.179 1.00 4.31 H new ATOM 0 HG2 GLN A 96 39.927 -59.986 -69.829 1.00 54.53 H new ATOM 0 HG3 GLN A 96 39.430 -59.224 -71.327 1.00 54.53 H new ATOM 0 HE21 GLN A 96 42.434 -60.511 -69.801 1.00 44.44 H new ATOM 0 HE22 GLN A 96 43.012 -61.343 -71.248 1.00 44.44 H new ATOM 1438 N LEU A 97 38.402 -56.938 -68.601 1.00 24.45 N ATOM 1439 CA LEU A 97 37.117 -57.184 -67.957 1.00 15.33 C ATOM 1440 C LEU A 97 36.007 -56.389 -68.637 1.00 15.22 C ATOM 1441 O LEU A 97 34.977 -56.945 -69.020 1.00 12.11 O ATOM 1442 CB LEU A 97 37.188 -56.815 -66.474 1.00 30.43 C ATOM 1443 CG LEU A 97 37.787 -57.874 -65.547 1.00 74.42 C ATOM 1444 CD1 LEU A 97 38.015 -57.300 -64.158 1.00 33.35 C ATOM 1445 CD2 LEU A 97 36.882 -59.096 -65.480 1.00 24.54 C ATOM 0 H LEU A 97 39.111 -56.538 -67.987 1.00 24.45 H new ATOM 0 HA LEU A 97 36.889 -58.246 -68.050 1.00 15.33 H new ATOM 0 HB2 LEU A 97 37.774 -55.901 -66.375 1.00 30.43 H new ATOM 0 HB3 LEU A 97 36.180 -56.586 -66.128 1.00 30.43 H new ATOM 0 HG LEU A 97 38.751 -58.182 -65.952 1.00 74.42 H new ATOM 0 HD11 LEU A 97 38.441 -58.068 -63.513 1.00 33.35 H new ATOM 0 HD12 LEU A 97 38.702 -56.456 -64.221 1.00 33.35 H new ATOM 0 HD13 LEU A 97 37.065 -56.964 -63.743 1.00 33.35 H new ATOM 0 HD21 LEU A 97 37.323 -59.840 -64.816 1.00 24.54 H new ATOM 0 HD22 LEU A 97 35.904 -58.804 -65.098 1.00 24.54 H new ATOM 0 HD23 LEU A 97 36.770 -59.521 -66.477 1.00 24.54 H new ATOM 1457 N ILE A 98 36.224 -55.086 -68.785 1.00 62.52 N ATOM 1458 CA ILE A 98 35.244 -54.216 -69.422 1.00 73.34 C ATOM 1459 C ILE A 98 35.382 -54.252 -70.941 1.00 13.34 C ATOM 1460 O ILE A 98 34.430 -53.966 -71.668 1.00 30.13 O ATOM 1461 CB ILE A 98 35.385 -52.761 -68.939 1.00 54.22 C ATOM 1462 CG1 ILE A 98 36.760 -52.206 -69.316 1.00 72.12 C ATOM 1463 CG2 ILE A 98 35.168 -52.679 -67.435 1.00 43.45 C ATOM 1464 CD1 ILE A 98 36.970 -50.770 -68.890 1.00 55.23 C ATOM 0 H ILE A 98 37.070 -54.610 -68.472 1.00 62.52 H new ATOM 0 HA ILE A 98 34.260 -54.590 -69.140 1.00 73.34 H new ATOM 0 HB ILE A 98 34.623 -52.155 -69.430 1.00 54.22 H new ATOM 0 HG12 ILE A 98 37.531 -52.828 -68.861 1.00 72.12 H new ATOM 0 HG13 ILE A 98 36.888 -52.278 -70.396 1.00 72.12 H new ATOM 0 HG21 ILE A 98 35.271 -51.644 -67.108 1.00 43.45 H new ATOM 0 HG22 ILE A 98 34.168 -53.039 -67.191 1.00 43.45 H new ATOM 0 HG23 ILE A 98 35.909 -53.295 -66.926 1.00 43.45 H new ATOM 0 HD11 ILE A 98 37.966 -50.443 -69.190 1.00 55.23 H new ATOM 0 HD12 ILE A 98 36.222 -50.136 -69.366 1.00 55.23 H new ATOM 0 HD13 ILE A 98 36.874 -50.694 -67.807 1.00 55.23 H new ATOM 1476 N TYR A 99 36.572 -54.606 -71.413 1.00 13.52 N ATOM 1477 CA TYR A 99 36.835 -54.678 -72.845 1.00 60.10 C ATOM 1478 C TYR A 99 36.112 -53.560 -73.589 1.00 41.42 C ATOM 1479 O TYR A 99 35.423 -53.801 -74.579 1.00 60.33 O ATOM 1480 CB TYR A 99 36.400 -56.037 -73.397 1.00 1.14 C ATOM 1481 CG TYR A 99 34.988 -56.422 -73.015 1.00 45.40 C ATOM 1482 CD1 TYR A 99 34.728 -57.099 -71.830 1.00 5.22 C ATOM 1483 CD2 TYR A 99 33.915 -56.109 -73.840 1.00 0.02 C ATOM 1484 CE1 TYR A 99 33.441 -57.453 -71.477 1.00 55.03 C ATOM 1485 CE2 TYR A 99 32.624 -56.458 -73.495 1.00 12.14 C ATOM 1486 CZ TYR A 99 32.392 -57.130 -72.313 1.00 14.13 C ATOM 1487 OH TYR A 99 31.107 -57.480 -71.966 1.00 31.40 O ATOM 0 H TYR A 99 37.370 -54.848 -70.825 1.00 13.52 H new ATOM 0 HA TYR A 99 37.907 -54.557 -72.998 1.00 60.10 H new ATOM 0 HB2 TYR A 99 36.482 -56.021 -74.484 1.00 1.14 H new ATOM 0 HB3 TYR A 99 37.087 -56.803 -73.036 1.00 1.14 H new ATOM 0 HD1 TYR A 99 35.547 -57.353 -71.173 1.00 5.22 H new ATOM 0 HD2 TYR A 99 34.093 -55.584 -74.767 1.00 0.02 H new ATOM 0 HE1 TYR A 99 33.257 -57.979 -70.552 1.00 55.03 H new ATOM 0 HE2 TYR A 99 31.801 -56.206 -74.147 1.00 12.14 H new ATOM 0 HH TYR A 99 30.486 -57.178 -72.662 1.00 31.40 H new ATOM 1497 N GLY A 100 36.276 -52.332 -73.104 1.00 32.40 N ATOM 1498 CA GLY A 100 35.634 -51.194 -73.734 1.00 50.34 C ATOM 1499 C GLY A 100 36.465 -50.609 -74.859 1.00 71.34 C ATOM 1500 O GLY A 100 35.926 -50.178 -75.880 1.00 24.30 O ATOM 0 H GLY A 100 36.842 -52.106 -72.286 1.00 32.40 H new ATOM 0 HA2 GLY A 100 34.663 -51.499 -74.124 1.00 50.34 H new ATOM 0 HA3 GLY A 100 35.449 -50.424 -72.985 1.00 50.34 H new ATOM 1504 N LEU A 101 37.780 -50.592 -74.674 1.00 22.41 N ATOM 1505 CA LEU A 101 38.688 -50.055 -75.681 1.00 41.53 C ATOM 1506 C LEU A 101 38.476 -50.740 -77.027 1.00 54.23 C ATOM 1507 O LEU A 101 37.915 -51.834 -77.097 1.00 73.32 O ATOM 1508 CB LEU A 101 40.140 -50.227 -75.232 1.00 20.12 C ATOM 1509 CG LEU A 101 41.146 -49.235 -75.816 1.00 60.05 C ATOM 1510 CD1 LEU A 101 41.551 -48.207 -74.772 1.00 15.34 C ATOM 1511 CD2 LEU A 101 42.369 -49.967 -76.349 1.00 24.25 C ATOM 0 H LEU A 101 38.242 -50.944 -73.835 1.00 22.41 H new ATOM 0 HA LEU A 101 38.474 -48.993 -75.797 1.00 41.53 H new ATOM 0 HB2 LEU A 101 40.174 -50.151 -74.145 1.00 20.12 H new ATOM 0 HB3 LEU A 101 40.462 -51.235 -75.491 1.00 20.12 H new ATOM 0 HG LEU A 101 40.670 -48.711 -76.645 1.00 60.05 H new ATOM 0 HD11 LEU A 101 42.267 -47.510 -75.207 1.00 15.34 H new ATOM 0 HD12 LEU A 101 40.669 -47.660 -74.439 1.00 15.34 H new ATOM 0 HD13 LEU A 101 42.007 -48.713 -73.921 1.00 15.34 H new ATOM 0 HD21 LEU A 101 43.074 -49.245 -76.761 1.00 24.25 H new ATOM 0 HD22 LEU A 101 42.845 -50.518 -75.538 1.00 24.25 H new ATOM 0 HD23 LEU A 101 42.064 -50.663 -77.130 1.00 24.25 H new ATOM 1523 N LEU A 102 38.929 -50.090 -78.094 1.00 33.41 N ATOM 1524 CA LEU A 102 38.791 -50.638 -79.439 1.00 35.01 C ATOM 1525 C LEU A 102 37.323 -50.720 -79.845 1.00 74.13 C ATOM 1526 O LEU A 102 36.952 -51.511 -80.712 1.00 74.24 O ATOM 1527 CB LEU A 102 39.431 -52.025 -79.514 1.00 73.23 C ATOM 1528 CG LEU A 102 40.266 -52.312 -80.762 1.00 45.13 C ATOM 1529 CD1 LEU A 102 41.750 -52.276 -80.431 1.00 23.42 C ATOM 1530 CD2 LEU A 102 39.884 -53.657 -81.363 1.00 2.22 C ATOM 0 H LEU A 102 39.395 -49.183 -78.054 1.00 33.41 H new ATOM 0 HA LEU A 102 39.304 -49.970 -80.131 1.00 35.01 H new ATOM 0 HB2 LEU A 102 40.066 -52.158 -78.638 1.00 73.23 H new ATOM 0 HB3 LEU A 102 38.640 -52.772 -79.451 1.00 73.23 H new ATOM 0 HG LEU A 102 40.060 -51.536 -81.499 1.00 45.13 H new ATOM 0 HD11 LEU A 102 42.329 -52.483 -81.331 1.00 23.42 H new ATOM 0 HD12 LEU A 102 42.014 -51.290 -80.048 1.00 23.42 H new ATOM 0 HD13 LEU A 102 41.973 -53.030 -79.676 1.00 23.42 H new ATOM 0 HD21 LEU A 102 40.489 -53.844 -82.250 1.00 2.22 H new ATOM 0 HD22 LEU A 102 40.060 -54.446 -80.631 1.00 2.22 H new ATOM 0 HD23 LEU A 102 38.829 -53.646 -81.638 1.00 2.22 H new ATOM 1542 N SER A 103 36.492 -49.896 -79.214 1.00 62.04 N ATOM 1543 CA SER A 103 35.064 -49.876 -79.509 1.00 62.41 C ATOM 1544 C SER A 103 34.713 -48.703 -80.419 1.00 64.10 C ATOM 1545 O SER A 103 34.600 -48.859 -81.635 1.00 43.41 O ATOM 1546 CB SER A 103 34.256 -49.791 -78.213 1.00 53.11 C ATOM 1547 OG SER A 103 34.167 -51.057 -77.583 1.00 74.21 O ATOM 0 H SER A 103 36.783 -49.234 -78.495 1.00 62.04 H new ATOM 0 HA SER A 103 34.812 -50.802 -80.026 1.00 62.41 H new ATOM 0 HB2 SER A 103 34.724 -49.076 -77.536 1.00 53.11 H new ATOM 0 HB3 SER A 103 33.255 -49.418 -78.429 1.00 53.11 H new ATOM 0 HG SER A 103 34.709 -51.055 -76.766 1.00 74.21 H new ATOM 1553 N ASP A 104 34.543 -47.529 -79.821 1.00 35.42 N ATOM 1554 CA ASP A 104 34.205 -46.328 -80.576 1.00 25.20 C ATOM 1555 C ASP A 104 35.447 -45.733 -81.233 1.00 21.02 C ATOM 1556 O ASP A 104 35.349 -45.004 -82.219 1.00 64.34 O ATOM 1557 CB ASP A 104 33.551 -45.292 -79.661 1.00 52.13 C ATOM 1558 CG ASP A 104 32.833 -44.206 -80.438 1.00 12.42 C ATOM 1559 OD1 ASP A 104 33.486 -43.204 -80.798 1.00 33.11 O ATOM 1560 OD2 ASP A 104 31.618 -44.357 -80.685 1.00 13.44 O ATOM 0 H ASP A 104 34.634 -47.383 -78.816 1.00 35.42 H new ATOM 0 HA ASP A 104 33.499 -46.606 -81.359 1.00 25.20 H new ATOM 0 HB2 ASP A 104 32.842 -45.791 -79.000 1.00 52.13 H new ATOM 0 HB3 ASP A 104 34.313 -44.838 -79.027 1.00 52.13 H new ATOM 1565 N GLU A 105 36.613 -46.048 -80.677 1.00 60.34 N ATOM 1566 CA GLU A 105 37.873 -45.542 -81.209 1.00 22.51 C ATOM 1567 C GLU A 105 38.026 -45.904 -82.684 1.00 14.43 C ATOM 1568 O GLU A 105 38.370 -45.058 -83.509 1.00 43.31 O ATOM 1569 CB GLU A 105 39.051 -46.104 -80.410 1.00 63.45 C ATOM 1570 CG GLU A 105 40.358 -46.122 -81.185 1.00 4.41 C ATOM 1571 CD GLU A 105 40.614 -47.451 -81.869 1.00 10.43 C ATOM 1572 OE1 GLU A 105 40.747 -48.469 -81.158 1.00 15.51 O ATOM 1573 OE2 GLU A 105 40.681 -47.472 -83.116 1.00 21.23 O ATOM 0 H GLU A 105 36.711 -46.650 -79.860 1.00 60.34 H new ATOM 0 HA GLU A 105 37.866 -44.456 -81.118 1.00 22.51 H new ATOM 0 HB2 GLU A 105 39.183 -45.510 -79.506 1.00 63.45 H new ATOM 0 HB3 GLU A 105 38.813 -47.119 -80.092 1.00 63.45 H new ATOM 0 HG2 GLU A 105 40.343 -45.330 -81.933 1.00 4.41 H new ATOM 0 HG3 GLU A 105 41.182 -45.903 -80.506 1.00 4.41 H new ATOM 1580 N PHE A 106 37.767 -47.166 -83.007 1.00 71.33 N ATOM 1581 CA PHE A 106 37.877 -47.641 -84.382 1.00 34.12 C ATOM 1582 C PHE A 106 37.057 -46.767 -85.326 1.00 43.53 C ATOM 1583 O PHE A 106 37.353 -46.672 -86.518 1.00 22.23 O ATOM 1584 CB PHE A 106 37.409 -49.095 -84.480 1.00 44.24 C ATOM 1585 CG PHE A 106 36.210 -49.280 -85.365 1.00 35.13 C ATOM 1586 CD1 PHE A 106 34.939 -48.975 -84.904 1.00 30.13 C ATOM 1587 CD2 PHE A 106 36.352 -49.759 -86.657 1.00 42.31 C ATOM 1588 CE1 PHE A 106 33.833 -49.145 -85.715 1.00 63.52 C ATOM 1589 CE2 PHE A 106 35.250 -49.931 -87.473 1.00 41.34 C ATOM 1590 CZ PHE A 106 33.989 -49.623 -87.002 1.00 1.30 C ATOM 0 H PHE A 106 37.480 -47.879 -82.336 1.00 71.33 H new ATOM 0 HA PHE A 106 38.924 -47.582 -84.678 1.00 34.12 H new ATOM 0 HB2 PHE A 106 38.228 -49.707 -84.858 1.00 44.24 H new ATOM 0 HB3 PHE A 106 37.173 -49.461 -83.481 1.00 44.24 H new ATOM 0 HD1 PHE A 106 34.811 -48.600 -83.899 1.00 30.13 H new ATOM 0 HD2 PHE A 106 37.336 -50.001 -87.031 1.00 42.31 H new ATOM 0 HE1 PHE A 106 32.848 -48.905 -85.343 1.00 63.52 H new ATOM 0 HE2 PHE A 106 35.375 -50.306 -88.478 1.00 41.34 H new ATOM 0 HZ PHE A 106 33.126 -49.755 -87.638 1.00 1.30 H new ATOM 1600 N LYS A 107 36.025 -46.128 -84.786 1.00 33.52 N ATOM 1601 CA LYS A 107 35.161 -45.260 -85.578 1.00 23.52 C ATOM 1602 C LYS A 107 35.923 -44.030 -86.061 1.00 35.02 C ATOM 1603 O LYS A 107 35.655 -43.508 -87.143 1.00 33.15 O ATOM 1604 CB LYS A 107 33.944 -44.830 -84.756 1.00 61.30 C ATOM 1605 CG LYS A 107 32.849 -44.181 -85.585 1.00 4.12 C ATOM 1606 CD LYS A 107 31.468 -44.531 -85.056 1.00 43.44 C ATOM 1607 CE LYS A 107 30.557 -45.031 -86.167 1.00 21.34 C ATOM 1608 NZ LYS A 107 30.501 -46.519 -86.210 1.00 11.34 N ATOM 0 H LYS A 107 35.766 -46.195 -83.802 1.00 33.52 H new ATOM 0 HA LYS A 107 34.823 -45.821 -86.449 1.00 23.52 H new ATOM 0 HB2 LYS A 107 33.534 -45.702 -84.246 1.00 61.30 H new ATOM 0 HB3 LYS A 107 34.266 -44.131 -83.984 1.00 61.30 H new ATOM 0 HG2 LYS A 107 32.979 -43.099 -85.578 1.00 4.12 H new ATOM 0 HG3 LYS A 107 32.936 -44.506 -86.622 1.00 4.12 H new ATOM 0 HD2 LYS A 107 31.556 -45.295 -84.284 1.00 43.44 H new ATOM 0 HD3 LYS A 107 31.024 -43.653 -84.587 1.00 43.44 H new ATOM 0 HE2 LYS A 107 29.553 -44.634 -86.020 1.00 21.34 H new ATOM 0 HE3 LYS A 107 30.912 -44.653 -87.126 1.00 21.34 H new ATOM 0 HZ1 LYS A 107 29.870 -46.821 -86.980 1.00 11.34 H new ATOM 0 HZ2 LYS A 107 31.455 -46.898 -86.376 1.00 11.34 H new ATOM 0 HZ3 LYS A 107 30.138 -46.879 -85.304 1.00 11.34 H new ATOM 1622 N ALA A 108 36.873 -43.573 -85.252 1.00 40.33 N ATOM 1623 CA ALA A 108 37.675 -42.406 -85.599 1.00 61.24 C ATOM 1624 C ALA A 108 38.708 -42.748 -86.668 1.00 22.35 C ATOM 1625 O ALA A 108 38.910 -41.990 -87.615 1.00 73.44 O ATOM 1626 CB ALA A 108 38.359 -41.848 -84.360 1.00 62.41 C ATOM 0 H ALA A 108 37.106 -43.993 -84.352 1.00 40.33 H new ATOM 0 HA ALA A 108 37.008 -41.645 -86.006 1.00 61.24 H new ATOM 0 HB1 ALA A 108 38.954 -40.977 -84.634 1.00 62.41 H new ATOM 0 HB2 ALA A 108 37.605 -41.557 -83.628 1.00 62.41 H new ATOM 0 HB3 ALA A 108 39.008 -42.610 -83.928 1.00 62.41 H new ATOM 1632 N GLY A 109 39.361 -43.895 -86.507 1.00 25.21 N ATOM 1633 CA GLY A 109 40.367 -44.317 -87.465 1.00 12.21 C ATOM 1634 C GLY A 109 41.771 -44.255 -86.897 1.00 32.11 C ATOM 1635 O GLY A 109 42.746 -44.524 -87.600 1.00 54.45 O ATOM 0 H GLY A 109 39.212 -44.539 -85.731 1.00 25.21 H new ATOM 0 HA2 GLY A 109 40.153 -45.336 -87.786 1.00 12.21 H new ATOM 0 HA3 GLY A 109 40.309 -43.685 -88.351 1.00 12.21 H new ATOM 1639 N LEU A 110 41.876 -43.899 -85.621 1.00 61.15 N ATOM 1640 CA LEU A 110 43.172 -43.801 -84.959 1.00 21.10 C ATOM 1641 C LEU A 110 43.233 -44.720 -83.743 1.00 61.11 C ATOM 1642 O LEU A 110 42.246 -44.883 -83.025 1.00 22.12 O ATOM 1643 CB LEU A 110 43.442 -42.356 -84.535 1.00 21.54 C ATOM 1644 CG LEU A 110 42.218 -41.539 -84.118 1.00 65.41 C ATOM 1645 CD1 LEU A 110 41.369 -41.195 -85.331 1.00 54.23 C ATOM 1646 CD2 LEU A 110 41.396 -42.298 -83.087 1.00 22.42 C ATOM 0 H LEU A 110 41.080 -43.674 -85.025 1.00 61.15 H new ATOM 0 HA LEU A 110 43.939 -44.115 -85.667 1.00 21.10 H new ATOM 0 HB2 LEU A 110 44.146 -42.368 -83.703 1.00 21.54 H new ATOM 0 HB3 LEU A 110 43.933 -41.842 -85.361 1.00 21.54 H new ATOM 0 HG LEU A 110 42.562 -40.609 -83.665 1.00 65.41 H new ATOM 0 HD11 LEU A 110 40.503 -40.614 -85.016 1.00 54.23 H new ATOM 0 HD12 LEU A 110 41.961 -40.611 -86.036 1.00 54.23 H new ATOM 0 HD13 LEU A 110 41.034 -42.113 -85.813 1.00 54.23 H new ATOM 0 HD21 LEU A 110 40.529 -41.702 -82.802 1.00 22.42 H new ATOM 0 HD22 LEU A 110 41.061 -43.244 -83.513 1.00 22.42 H new ATOM 0 HD23 LEU A 110 42.008 -42.493 -82.206 1.00 22.42 H new ATOM 1658 N HIS A 111 44.399 -45.317 -83.517 1.00 31.31 N ATOM 1659 CA HIS A 111 44.590 -46.218 -82.386 1.00 33.13 C ATOM 1660 C HIS A 111 44.216 -45.532 -81.075 1.00 51.44 C ATOM 1661 O HIS A 111 43.822 -44.366 -81.065 1.00 2.32 O ATOM 1662 CB HIS A 111 46.040 -46.698 -82.328 1.00 22.12 C ATOM 1663 CG HIS A 111 46.178 -48.189 -82.333 1.00 64.41 C ATOM 1664 ND1 HIS A 111 45.620 -48.993 -83.304 1.00 73.51 N ATOM 1665 CD2 HIS A 111 46.818 -49.022 -81.479 1.00 60.32 C ATOM 1666 CE1 HIS A 111 45.908 -50.257 -83.046 1.00 43.42 C ATOM 1667 NE2 HIS A 111 46.635 -50.301 -81.944 1.00 61.32 N ATOM 0 H HIS A 111 45.225 -45.193 -84.102 1.00 31.31 H new ATOM 0 HA HIS A 111 43.936 -47.079 -82.525 1.00 33.13 H new ATOM 0 HB2 HIS A 111 46.584 -46.288 -83.179 1.00 22.12 H new ATOM 0 HB3 HIS A 111 46.510 -46.301 -81.428 1.00 22.12 H new ATOM 0 HD2 HIS A 111 47.370 -48.734 -80.596 1.00 60.32 H new ATOM 0 HE1 HIS A 111 45.601 -51.108 -83.636 1.00 43.42 H new ATOM 0 HE2 HIS A 111 47.001 -51.148 -81.509 1.00 61.32 H new ATOM 1675 N ALA A 112 44.341 -46.263 -79.973 1.00 23.00 N ATOM 1676 CA ALA A 112 44.018 -45.724 -78.658 1.00 30.22 C ATOM 1677 C ALA A 112 44.866 -46.379 -77.573 1.00 0.34 C ATOM 1678 O ALA A 112 45.453 -47.440 -77.785 1.00 62.51 O ATOM 1679 CB ALA A 112 42.538 -45.913 -78.359 1.00 50.14 C ATOM 0 H ALA A 112 44.664 -47.231 -79.965 1.00 23.00 H new ATOM 0 HA ALA A 112 44.243 -44.658 -78.665 1.00 30.22 H new ATOM 0 HB1 ALA A 112 42.311 -45.506 -77.374 1.00 50.14 H new ATOM 0 HB2 ALA A 112 41.945 -45.393 -79.112 1.00 50.14 H new ATOM 0 HB3 ALA A 112 42.296 -46.976 -78.377 1.00 50.14 H new ATOM 1685 N LEU A 113 44.927 -45.739 -76.410 1.00 31.32 N ATOM 1686 CA LEU A 113 45.704 -46.259 -75.290 1.00 64.44 C ATOM 1687 C LEU A 113 44.825 -46.452 -74.059 1.00 52.22 C ATOM 1688 O LEU A 113 43.833 -45.747 -73.877 1.00 12.14 O ATOM 1689 CB LEU A 113 46.860 -45.312 -74.963 1.00 20.22 C ATOM 1690 CG LEU A 113 46.535 -43.819 -75.001 1.00 11.43 C ATOM 1691 CD1 LEU A 113 47.402 -43.058 -74.010 1.00 24.24 C ATOM 1692 CD2 LEU A 113 46.721 -43.268 -76.407 1.00 53.10 C ATOM 0 H LEU A 113 44.448 -44.859 -76.218 1.00 31.32 H new ATOM 0 HA LEU A 113 46.108 -47.229 -75.580 1.00 64.44 H new ATOM 0 HB2 LEU A 113 47.234 -45.557 -73.969 1.00 20.22 H new ATOM 0 HB3 LEU A 113 47.671 -45.505 -75.665 1.00 20.22 H new ATOM 0 HG LEU A 113 45.491 -43.687 -74.715 1.00 11.43 H new ATOM 0 HD11 LEU A 113 47.156 -41.997 -74.051 1.00 24.24 H new ATOM 0 HD12 LEU A 113 47.219 -43.434 -73.003 1.00 24.24 H new ATOM 0 HD13 LEU A 113 48.453 -43.197 -74.264 1.00 24.24 H new ATOM 0 HD21 LEU A 113 46.485 -42.204 -76.415 1.00 53.10 H new ATOM 0 HD22 LEU A 113 47.755 -43.413 -76.721 1.00 53.10 H new ATOM 0 HD23 LEU A 113 46.057 -43.792 -77.094 1.00 53.10 H new ATOM 1704 N ALA A 114 45.197 -47.410 -73.216 1.00 51.43 N ATOM 1705 CA ALA A 114 44.444 -47.692 -72.000 1.00 45.32 C ATOM 1706 C ALA A 114 45.375 -48.079 -70.856 1.00 43.31 C ATOM 1707 O ALA A 114 46.340 -48.817 -71.051 1.00 44.14 O ATOM 1708 CB ALA A 114 43.428 -48.795 -72.253 1.00 20.44 C ATOM 0 H ALA A 114 46.015 -48.004 -73.353 1.00 51.43 H new ATOM 0 HA ALA A 114 43.914 -46.785 -71.711 1.00 45.32 H new ATOM 0 HB1 ALA A 114 42.873 -48.995 -71.337 1.00 20.44 H new ATOM 0 HB2 ALA A 114 42.737 -48.480 -73.035 1.00 20.44 H new ATOM 0 HB3 ALA A 114 43.945 -49.701 -72.569 1.00 20.44 H new ATOM 1714 N MET A 115 45.079 -47.575 -69.662 1.00 44.34 N ATOM 1715 CA MET A 115 45.891 -47.869 -68.487 1.00 14.12 C ATOM 1716 C MET A 115 45.016 -48.015 -67.246 1.00 30.34 C ATOM 1717 O MET A 115 44.323 -47.079 -66.847 1.00 53.54 O ATOM 1718 CB MET A 115 46.927 -46.766 -68.267 1.00 44.40 C ATOM 1719 CG MET A 115 47.376 -46.089 -69.552 1.00 43.20 C ATOM 1720 SD MET A 115 48.952 -45.231 -69.371 1.00 52.24 S ATOM 1721 CE MET A 115 50.093 -46.503 -69.907 1.00 4.03 C ATOM 0 H MET A 115 44.284 -46.962 -69.483 1.00 44.34 H new ATOM 0 HA MET A 115 46.408 -48.813 -68.660 1.00 14.12 H new ATOM 0 HB2 MET A 115 46.509 -46.015 -67.597 1.00 44.40 H new ATOM 0 HB3 MET A 115 47.797 -47.191 -67.766 1.00 44.40 H new ATOM 0 HG2 MET A 115 47.462 -46.836 -70.341 1.00 43.20 H new ATOM 0 HG3 MET A 115 46.614 -45.377 -69.869 1.00 43.20 H new ATOM 0 HE1 MET A 115 51.113 -46.123 -69.852 1.00 4.03 H new ATOM 0 HE2 MET A 115 49.995 -47.375 -69.261 1.00 4.03 H new ATOM 0 HE3 MET A 115 49.866 -46.786 -70.935 1.00 4.03 H new ATOM 1731 N THR A 116 45.052 -49.197 -66.637 1.00 44.13 N ATOM 1732 CA THR A 116 44.262 -49.466 -65.443 1.00 23.14 C ATOM 1733 C THR A 116 45.158 -49.685 -64.229 1.00 20.12 C ATOM 1734 O THR A 116 46.084 -50.496 -64.265 1.00 62.02 O ATOM 1735 CB THR A 116 43.362 -50.701 -65.631 1.00 74.43 C ATOM 1736 OG1 THR A 116 44.094 -51.893 -65.324 1.00 32.00 O ATOM 1737 CG2 THR A 116 42.837 -50.776 -67.057 1.00 42.03 C ATOM 0 H THR A 116 45.621 -49.983 -66.952 1.00 44.13 H new ATOM 0 HA THR A 116 43.635 -48.591 -65.276 1.00 23.14 H new ATOM 0 HB THR A 116 42.514 -50.611 -64.952 1.00 74.43 H new ATOM 0 HG1 THR A 116 43.921 -52.569 -66.012 1.00 32.00 H new ATOM 0 HG21 THR A 116 42.204 -51.657 -67.166 1.00 42.03 H new ATOM 0 HG22 THR A 116 42.255 -49.881 -67.278 1.00 42.03 H new ATOM 0 HG23 THR A 116 43.675 -50.844 -67.750 1.00 42.03 H new ATOM 1745 N THR A 117 44.877 -48.957 -63.152 1.00 74.53 N ATOM 1746 CA THR A 117 45.657 -49.072 -61.927 1.00 3.01 C ATOM 1747 C THR A 117 44.777 -49.477 -60.750 1.00 61.11 C ATOM 1748 O THR A 117 43.954 -48.693 -60.278 1.00 2.45 O ATOM 1749 CB THR A 117 46.370 -47.749 -61.589 1.00 14.31 C ATOM 1750 OG1 THR A 117 46.913 -47.809 -60.265 1.00 52.04 O ATOM 1751 CG2 THR A 117 45.409 -46.574 -61.695 1.00 75.31 C ATOM 0 H THR A 117 44.114 -48.281 -63.104 1.00 74.53 H new ATOM 0 HA THR A 117 46.405 -49.846 -62.100 1.00 3.01 H new ATOM 0 HB THR A 117 47.178 -47.604 -62.306 1.00 14.31 H new ATOM 0 HG1 THR A 117 47.616 -47.133 -60.169 1.00 52.04 H new ATOM 0 HG21 THR A 117 45.935 -45.651 -61.452 1.00 75.31 H new ATOM 0 HG22 THR A 117 45.020 -46.513 -62.711 1.00 75.31 H new ATOM 0 HG23 THR A 117 44.583 -46.715 -60.998 1.00 75.31 H new ATOM 1759 N LYS A 118 44.955 -50.707 -60.280 1.00 5.13 N ATOM 1760 CA LYS A 118 44.179 -51.217 -59.156 1.00 0.21 C ATOM 1761 C LYS A 118 45.068 -51.990 -58.187 1.00 34.30 C ATOM 1762 O LYS A 118 45.976 -52.712 -58.601 1.00 52.42 O ATOM 1763 CB LYS A 118 43.048 -52.118 -59.658 1.00 3.14 C ATOM 1764 CG LYS A 118 42.274 -52.800 -58.543 1.00 63.31 C ATOM 1765 CD LYS A 118 42.621 -54.277 -58.446 1.00 51.44 C ATOM 1766 CE LYS A 118 41.551 -55.052 -57.693 1.00 24.04 C ATOM 1767 NZ LYS A 118 41.242 -54.432 -56.374 1.00 61.05 N ATOM 0 H LYS A 118 45.631 -51.370 -60.661 1.00 5.13 H new ATOM 0 HA LYS A 118 43.750 -50.366 -58.627 1.00 0.21 H new ATOM 0 HB2 LYS A 118 42.358 -51.522 -60.256 1.00 3.14 H new ATOM 0 HB3 LYS A 118 43.466 -52.879 -60.317 1.00 3.14 H new ATOM 0 HG2 LYS A 118 42.494 -52.311 -57.594 1.00 63.31 H new ATOM 0 HG3 LYS A 118 41.204 -52.687 -58.720 1.00 63.31 H new ATOM 0 HD2 LYS A 118 42.735 -54.692 -59.448 1.00 51.44 H new ATOM 0 HD3 LYS A 118 43.580 -54.394 -57.941 1.00 51.44 H new ATOM 0 HE2 LYS A 118 40.643 -55.096 -58.295 1.00 24.04 H new ATOM 0 HE3 LYS A 118 41.884 -56.079 -57.543 1.00 24.04 H new ATOM 0 HZ1 LYS A 118 40.667 -55.088 -55.808 1.00 61.05 H new ATOM 0 HZ2 LYS A 118 42.129 -54.226 -55.871 1.00 61.05 H new ATOM 0 HZ3 LYS A 118 40.714 -53.548 -56.521 1.00 61.05 H new ATOM 1781 N THR A 119 44.800 -51.837 -56.894 1.00 14.22 N ATOM 1782 CA THR A 119 45.574 -52.521 -55.866 1.00 44.23 C ATOM 1783 C THR A 119 45.142 -53.976 -55.729 1.00 70.11 C ATOM 1784 O THR A 119 43.954 -54.293 -55.668 1.00 12.44 O ATOM 1785 CB THR A 119 45.434 -51.824 -54.500 1.00 35.24 C ATOM 1786 OG1 THR A 119 45.111 -50.442 -54.685 1.00 51.44 O ATOM 1787 CG2 THR A 119 46.719 -51.947 -53.695 1.00 13.41 C ATOM 0 H THR A 119 44.052 -51.245 -56.534 1.00 14.22 H new ATOM 0 HA THR A 119 46.617 -52.483 -56.179 1.00 44.23 H new ATOM 0 HB THR A 119 44.631 -52.313 -53.949 1.00 35.24 H new ATOM 0 HG1 THR A 119 45.069 -49.996 -53.813 1.00 51.44 H new ATOM 0 HG21 THR A 119 46.596 -51.447 -52.734 1.00 13.41 H new ATOM 0 HG22 THR A 119 46.945 -53.000 -53.530 1.00 13.41 H new ATOM 0 HG23 THR A 119 47.538 -51.482 -54.244 1.00 13.41 H new