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 -170:sc= -1.37 USER MOD Set 1.2: A 83 SER OG : rot -140:sc= -0.72 USER MOD Set 2.1: A 53 ASN : amide:sc= -1.85 X(o=-1.9,f=-1.8) USER MOD Set 2.2: A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -162:sc=-0.00652 (180deg=-0.107) USER MOD Single : A 38 SER OG : rot -91:sc= 0.524 USER MOD Single : A 39 LYS NZ :NH3+ -149:sc= -0.584 (180deg=-1.58!) USER MOD Single : A 45 SER OG : rot 180:sc= -0.672 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= -0.0925 X(o=-0.093,f=-0.29) USER MOD Single : A 75 THR OG1 : rot 130:sc= -0.0258 USER MOD Single : A 76 HIS : no HD1:sc= -0.881 K(o=-0.88,f=-2.6) 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 -62:sc= 1.1 USER MOD Single : A 93 LYS NZ :NH3+ 156:sc= -0.0923 (180deg=-0.613) USER MOD Single : A 95 HIS : no HE2:sc= -0.443 K(o=-0.44,f=-4.6!) 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 -125:sc= 1.62 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 115 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot -84:sc= -0.83 USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.511 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 121:sc= -1.05 USER MOD ----------------------------------------------------------------- ATOM 471 N ALA A 33 47.440 -38.275 -78.283 1.00 33.45 N ATOM 472 CA ALA A 33 47.722 -37.026 -78.978 1.00 15.54 C ATOM 473 C ALA A 33 46.740 -35.934 -78.564 1.00 72.25 C ATOM 474 O ALA A 33 47.011 -35.155 -77.652 1.00 51.31 O ATOM 475 CB ALA A 33 47.675 -37.237 -80.484 1.00 24.14 C ATOM 0 HA ALA A 33 48.725 -36.702 -78.699 1.00 15.54 H new ATOM 0 HB1 ALA A 33 47.888 -36.295 -80.990 1.00 24.14 H new ATOM 0 HB2 ALA A 33 48.420 -37.979 -80.771 1.00 24.14 H new ATOM 0 HB3 ALA A 33 46.684 -37.588 -80.772 1.00 24.14 H new ATOM 481 N GLY A 34 45.597 -35.884 -79.243 1.00 65.12 N ATOM 482 CA GLY A 34 44.593 -34.884 -78.932 1.00 42.33 C ATOM 483 C GLY A 34 43.954 -35.106 -77.576 1.00 74.22 C ATOM 484 O GLY A 34 43.666 -34.152 -76.854 1.00 74.23 O ATOM 0 H GLY A 34 45.349 -36.518 -80.002 1.00 65.12 H new ATOM 0 HA2 GLY A 34 45.050 -33.895 -78.957 1.00 42.33 H new ATOM 0 HA3 GLY A 34 43.820 -34.898 -79.701 1.00 42.33 H new ATOM 488 N ALA A 35 43.729 -36.369 -77.230 1.00 23.54 N ATOM 489 CA ALA A 35 43.120 -36.714 -75.951 1.00 72.21 C ATOM 490 C ALA A 35 43.999 -36.272 -74.787 1.00 4.33 C ATOM 491 O ALA A 35 43.500 -35.819 -73.757 1.00 14.55 O ATOM 492 CB ALA A 35 42.858 -38.211 -75.878 1.00 33.20 C ATOM 0 H ALA A 35 43.959 -37.170 -77.817 1.00 23.54 H new ATOM 0 HA ALA A 35 42.170 -36.186 -75.875 1.00 72.21 H new ATOM 0 HB1 ALA A 35 42.403 -38.454 -74.918 1.00 33.20 H new ATOM 0 HB2 ALA A 35 42.183 -38.502 -76.683 1.00 33.20 H new ATOM 0 HB3 ALA A 35 43.799 -38.751 -75.981 1.00 33.20 H new ATOM 498 N ILE A 36 45.310 -36.407 -74.957 1.00 2.42 N ATOM 499 CA ILE A 36 46.258 -36.020 -73.919 1.00 64.15 C ATOM 500 C ILE A 36 45.992 -34.600 -73.433 1.00 0.32 C ATOM 501 O ILE A 36 46.261 -34.266 -72.279 1.00 20.14 O ATOM 502 CB ILE A 36 47.711 -36.115 -74.421 1.00 44.34 C ATOM 503 CG1 ILE A 36 48.138 -34.795 -75.066 1.00 41.55 C ATOM 504 CG2 ILE A 36 47.857 -37.264 -75.408 1.00 4.15 C ATOM 505 CD1 ILE A 36 49.363 -34.920 -75.945 1.00 41.50 C ATOM 0 H ILE A 36 45.740 -36.781 -75.803 1.00 2.42 H new ATOM 0 HA ILE A 36 46.121 -36.716 -73.091 1.00 64.15 H new ATOM 0 HB ILE A 36 48.362 -36.309 -73.569 1.00 44.34 H new ATOM 0 HG12 ILE A 36 47.312 -34.407 -75.662 1.00 41.55 H new ATOM 0 HG13 ILE A 36 48.336 -34.064 -74.282 1.00 41.55 H new ATOM 0 HG21 ILE A 36 48.889 -37.318 -75.754 1.00 4.15 H new ATOM 0 HG22 ILE A 36 47.589 -38.200 -74.919 1.00 4.15 H new ATOM 0 HG23 ILE A 36 47.198 -37.098 -76.260 1.00 4.15 H new ATOM 0 HD11 ILE A 36 49.608 -33.946 -76.369 1.00 41.50 H new ATOM 0 HD12 ILE A 36 50.203 -35.278 -75.350 1.00 41.50 H new ATOM 0 HD13 ILE A 36 49.162 -35.626 -76.751 1.00 41.50 H new ATOM 517 N LYS A 37 45.460 -33.766 -74.320 1.00 72.21 N ATOM 518 CA LYS A 37 45.153 -32.382 -73.982 1.00 11.42 C ATOM 519 C LYS A 37 44.113 -32.311 -72.869 1.00 35.24 C ATOM 520 O LYS A 37 44.240 -31.518 -71.936 1.00 42.21 O ATOM 521 CB LYS A 37 44.645 -31.634 -75.217 1.00 2.32 C ATOM 522 CG LYS A 37 45.321 -30.291 -75.435 1.00 73.02 C ATOM 523 CD LYS A 37 44.715 -29.212 -74.553 1.00 23.10 C ATOM 524 CE LYS A 37 43.759 -28.325 -75.335 1.00 14.14 C ATOM 525 NZ LYS A 37 44.479 -27.441 -76.292 1.00 50.22 N ATOM 0 H LYS A 37 45.232 -34.025 -75.280 1.00 72.21 H new ATOM 0 HA LYS A 37 46.070 -31.909 -73.629 1.00 11.42 H new ATOM 0 HB2 LYS A 37 44.800 -32.257 -76.098 1.00 2.32 H new ATOM 0 HB3 LYS A 37 43.570 -31.479 -75.121 1.00 2.32 H new ATOM 0 HG2 LYS A 37 46.386 -30.380 -75.222 1.00 73.02 H new ATOM 0 HG3 LYS A 37 45.228 -30.001 -76.482 1.00 73.02 H new ATOM 0 HD2 LYS A 37 44.185 -29.676 -73.721 1.00 23.10 H new ATOM 0 HD3 LYS A 37 45.510 -28.602 -74.124 1.00 23.10 H new ATOM 0 HE2 LYS A 37 43.049 -28.948 -75.880 1.00 14.14 H new ATOM 0 HE3 LYS A 37 43.181 -27.714 -74.641 1.00 14.14 H new ATOM 0 HZ1 LYS A 37 43.857 -26.658 -76.577 1.00 50.22 H new ATOM 0 HZ2 LYS A 37 45.332 -27.057 -75.836 1.00 50.22 H new ATOM 0 HZ3 LYS A 37 44.753 -27.989 -77.132 1.00 50.22 H new ATOM 539 N SER A 38 43.084 -33.147 -72.972 1.00 41.11 N ATOM 540 CA SER A 38 42.021 -33.178 -71.975 1.00 14.51 C ATOM 541 C SER A 38 42.549 -33.673 -70.632 1.00 42.40 C ATOM 542 O SER A 38 42.252 -33.098 -69.584 1.00 61.23 O ATOM 543 CB SER A 38 40.875 -34.075 -72.447 1.00 63.23 C ATOM 544 OG SER A 38 40.061 -33.407 -73.395 1.00 42.31 O ATOM 0 H SER A 38 42.965 -33.812 -73.736 1.00 41.11 H new ATOM 0 HA SER A 38 41.648 -32.162 -71.847 1.00 14.51 H new ATOM 0 HB2 SER A 38 41.280 -34.986 -72.888 1.00 63.23 H new ATOM 0 HB3 SER A 38 40.270 -34.377 -71.592 1.00 63.23 H new ATOM 0 HG SER A 38 39.332 -32.945 -72.932 1.00 42.31 H new ATOM 550 N LYS A 39 43.335 -34.743 -70.671 1.00 60.21 N ATOM 551 CA LYS A 39 43.908 -35.317 -69.459 1.00 74.32 C ATOM 552 C LYS A 39 44.853 -34.329 -68.783 1.00 73.21 C ATOM 553 O LYS A 39 44.971 -34.307 -67.558 1.00 24.41 O ATOM 554 CB LYS A 39 44.655 -36.612 -69.787 1.00 44.44 C ATOM 555 CG LYS A 39 46.165 -36.448 -69.830 1.00 52.23 C ATOM 556 CD LYS A 39 46.852 -37.729 -70.272 1.00 44.20 C ATOM 557 CE LYS A 39 48.364 -37.625 -70.137 1.00 32.32 C ATOM 558 NZ LYS A 39 49.027 -37.437 -71.457 1.00 2.34 N ATOM 0 H LYS A 39 43.590 -35.231 -71.530 1.00 60.21 H new ATOM 0 HA LYS A 39 43.092 -35.540 -68.772 1.00 74.32 H new ATOM 0 HB2 LYS A 39 44.401 -37.367 -69.043 1.00 44.44 H new ATOM 0 HB3 LYS A 39 44.311 -36.986 -70.751 1.00 44.44 H new ATOM 0 HG2 LYS A 39 46.425 -35.640 -70.514 1.00 52.23 H new ATOM 0 HG3 LYS A 39 46.529 -36.160 -68.844 1.00 52.23 H new ATOM 0 HD2 LYS A 39 46.489 -38.564 -69.673 1.00 44.20 H new ATOM 0 HD3 LYS A 39 46.592 -37.944 -71.308 1.00 44.20 H new ATOM 0 HE2 LYS A 39 48.614 -36.790 -69.483 1.00 32.32 H new ATOM 0 HE3 LYS A 39 48.749 -38.527 -69.662 1.00 32.32 H new ATOM 0 HZ1 LYS A 39 49.970 -37.875 -71.437 1.00 2.34 H new ATOM 0 HZ2 LYS A 39 48.453 -37.884 -72.200 1.00 2.34 H new ATOM 0 HZ3 LYS A 39 49.121 -36.421 -71.657 1.00 2.34 H new ATOM 572 N VAL A 40 45.522 -33.511 -69.589 1.00 64.51 N ATOM 573 CA VAL A 40 46.455 -32.519 -69.068 1.00 70.12 C ATOM 574 C VAL A 40 45.742 -31.510 -68.175 1.00 32.52 C ATOM 575 O VAL A 40 46.252 -31.131 -67.121 1.00 53.12 O ATOM 576 CB VAL A 40 47.167 -31.766 -70.207 1.00 42.24 C ATOM 577 CG1 VAL A 40 47.841 -30.509 -69.678 1.00 33.14 C ATOM 578 CG2 VAL A 40 48.177 -32.672 -70.895 1.00 72.23 C ATOM 0 H VAL A 40 45.435 -33.516 -70.605 1.00 64.51 H new ATOM 0 HA VAL A 40 47.197 -33.060 -68.480 1.00 70.12 H new ATOM 0 HB VAL A 40 46.420 -31.467 -70.943 1.00 42.24 H new ATOM 0 HG11 VAL A 40 48.339 -29.991 -70.498 1.00 33.14 H new ATOM 0 HG12 VAL A 40 47.091 -29.853 -69.236 1.00 33.14 H new ATOM 0 HG13 VAL A 40 48.577 -30.782 -68.921 1.00 33.14 H new ATOM 0 HG21 VAL A 40 48.671 -32.123 -71.697 1.00 72.23 H new ATOM 0 HG22 VAL A 40 48.921 -33.003 -70.171 1.00 72.23 H new ATOM 0 HG23 VAL A 40 47.664 -33.539 -71.311 1.00 72.23 H new ATOM 588 N GLU A 41 44.559 -31.081 -68.603 1.00 50.24 N ATOM 589 CA GLU A 41 43.776 -30.115 -67.841 1.00 72.43 C ATOM 590 C GLU A 41 43.504 -30.628 -66.430 1.00 75.31 C ATOM 591 O GLU A 41 43.477 -29.856 -65.472 1.00 74.42 O ATOM 592 CB GLU A 41 42.453 -29.822 -68.553 1.00 64.52 C ATOM 593 CG GLU A 41 42.612 -29.531 -70.036 1.00 0.31 C ATOM 594 CD GLU A 41 43.802 -28.639 -70.331 1.00 3.20 C ATOM 595 OE1 GLU A 41 44.048 -27.698 -69.548 1.00 13.40 O ATOM 596 OE2 GLU A 41 44.489 -28.883 -71.345 1.00 53.15 O ATOM 0 H GLU A 41 44.122 -31.387 -69.472 1.00 50.24 H new ATOM 0 HA GLU A 41 44.353 -29.193 -67.769 1.00 72.43 H new ATOM 0 HB2 GLU A 41 41.786 -30.675 -68.428 1.00 64.52 H new ATOM 0 HB3 GLU A 41 41.973 -28.969 -68.073 1.00 64.52 H new ATOM 0 HG2 GLU A 41 42.724 -30.471 -70.577 1.00 0.31 H new ATOM 0 HG3 GLU A 41 41.705 -29.055 -70.408 1.00 0.31 H new ATOM 603 N ALA A 42 43.302 -31.937 -66.311 1.00 53.51 N ATOM 604 CA ALA A 42 43.033 -32.554 -65.018 1.00 50.52 C ATOM 605 C ALA A 42 44.315 -32.710 -64.208 1.00 21.53 C ATOM 606 O ALA A 42 44.277 -32.818 -62.982 1.00 73.04 O ATOM 607 CB ALA A 42 42.358 -33.904 -65.208 1.00 15.42 C ATOM 0 H ALA A 42 43.320 -32.590 -67.094 1.00 53.51 H new ATOM 0 HA ALA A 42 42.361 -31.900 -64.463 1.00 50.52 H new ATOM 0 HB1 ALA A 42 42.163 -34.354 -64.234 1.00 15.42 H new ATOM 0 HB2 ALA A 42 41.416 -33.768 -65.740 1.00 15.42 H new ATOM 0 HB3 ALA A 42 43.010 -34.559 -65.786 1.00 15.42 H new ATOM 613 N ALA A 43 45.449 -32.723 -64.900 1.00 64.40 N ATOM 614 CA ALA A 43 46.743 -32.866 -64.244 1.00 22.00 C ATOM 615 C ALA A 43 46.999 -31.713 -63.279 1.00 64.41 C ATOM 616 O ALA A 43 47.773 -31.845 -62.330 1.00 31.35 O ATOM 617 CB ALA A 43 47.854 -32.946 -65.280 1.00 64.32 C ATOM 0 H ALA A 43 45.498 -32.636 -65.915 1.00 64.40 H new ATOM 0 HA ALA A 43 46.731 -33.792 -63.668 1.00 22.00 H new ATOM 0 HB1 ALA A 43 48.815 -33.053 -64.776 1.00 64.32 H new ATOM 0 HB2 ALA A 43 47.686 -33.807 -65.927 1.00 64.32 H new ATOM 0 HB3 ALA A 43 47.858 -32.036 -65.880 1.00 64.32 H new ATOM 623 N LEU A 44 46.347 -30.584 -63.528 1.00 14.51 N ATOM 624 CA LEU A 44 46.504 -29.406 -62.681 1.00 23.31 C ATOM 625 C LEU A 44 46.079 -29.706 -61.247 1.00 63.21 C ATOM 626 O LEU A 44 46.464 -29.001 -60.315 1.00 25.05 O ATOM 627 CB LEU A 44 45.683 -28.241 -63.235 1.00 72.13 C ATOM 628 CG LEU A 44 46.204 -27.607 -64.525 1.00 55.44 C ATOM 629 CD1 LEU A 44 45.147 -26.702 -65.140 1.00 13.34 C ATOM 630 CD2 LEU A 44 47.484 -26.829 -64.258 1.00 61.13 C ATOM 0 H LEU A 44 45.704 -30.458 -64.310 1.00 14.51 H new ATOM 0 HA LEU A 44 47.558 -29.130 -62.678 1.00 23.31 H new ATOM 0 HB2 LEU A 44 44.666 -28.591 -63.411 1.00 72.13 H new ATOM 0 HB3 LEU A 44 45.626 -27.466 -62.470 1.00 72.13 H new ATOM 0 HG LEU A 44 46.428 -28.404 -65.234 1.00 55.44 H new ATOM 0 HD11 LEU A 44 45.536 -26.260 -66.057 1.00 13.34 H new ATOM 0 HD12 LEU A 44 44.256 -27.286 -65.368 1.00 13.34 H new ATOM 0 HD13 LEU A 44 44.891 -25.911 -64.436 1.00 13.34 H new ATOM 0 HD21 LEU A 44 47.840 -26.385 -65.187 1.00 61.13 H new ATOM 0 HD22 LEU A 44 47.286 -26.041 -63.532 1.00 61.13 H new ATOM 0 HD23 LEU A 44 48.244 -27.503 -63.863 1.00 61.13 H new ATOM 642 N SER A 45 45.285 -30.758 -61.079 1.00 32.44 N ATOM 643 CA SER A 45 44.806 -31.151 -59.758 1.00 61.13 C ATOM 644 C SER A 45 45.357 -32.519 -59.366 1.00 13.35 C ATOM 645 O SER A 45 45.815 -33.296 -60.203 1.00 44.42 O ATOM 646 CB SER A 45 43.277 -31.179 -59.734 1.00 54.54 C ATOM 647 OG SER A 45 42.764 -30.233 -58.812 1.00 10.11 O ATOM 0 H SER A 45 44.959 -31.354 -61.840 1.00 32.44 H new ATOM 0 HA SER A 45 45.160 -30.415 -59.036 1.00 61.13 H new ATOM 0 HB2 SER A 45 42.891 -30.966 -60.731 1.00 54.54 H new ATOM 0 HB3 SER A 45 42.933 -32.178 -59.465 1.00 54.54 H new ATOM 0 HG SER A 45 41.785 -30.269 -58.817 1.00 10.11 H new ATOM 653 N PRO A 46 45.311 -32.821 -58.060 1.00 20.14 N ATOM 654 CA PRO A 46 45.800 -34.095 -57.524 1.00 62.14 C ATOM 655 C PRO A 46 44.917 -35.271 -57.928 1.00 11.22 C ATOM 656 O PRO A 46 43.839 -35.472 -57.368 1.00 32.45 O ATOM 657 CB PRO A 46 45.752 -33.885 -56.009 1.00 31.21 C ATOM 658 CG PRO A 46 44.706 -32.845 -55.804 1.00 12.42 C ATOM 659 CD PRO A 46 44.778 -31.943 -57.005 1.00 13.32 C ATOM 0 HA PRO A 46 46.792 -34.342 -57.902 1.00 62.14 H new ATOM 0 HB2 PRO A 46 45.499 -34.809 -55.489 1.00 31.21 H new ATOM 0 HB3 PRO A 46 46.717 -33.557 -55.624 1.00 31.21 H new ATOM 0 HG2 PRO A 46 43.718 -33.297 -55.714 1.00 12.42 H new ATOM 0 HG3 PRO A 46 44.886 -32.287 -54.885 1.00 12.42 H new ATOM 0 HD2 PRO A 46 43.798 -31.547 -57.269 1.00 13.32 H new ATOM 0 HD3 PRO A 46 45.430 -31.088 -56.827 1.00 13.32 H new ATOM 667 N THR A 47 45.380 -36.046 -58.904 1.00 1.14 N ATOM 668 CA THR A 47 44.632 -37.201 -59.382 1.00 71.24 C ATOM 669 C THR A 47 45.427 -37.978 -60.425 1.00 44.24 C ATOM 670 O THR A 47 46.580 -37.651 -60.712 1.00 54.21 O ATOM 671 CB THR A 47 43.280 -36.782 -59.991 1.00 65.34 C ATOM 672 OG1 THR A 47 42.482 -37.941 -60.256 1.00 61.11 O ATOM 673 CG2 THR A 47 43.487 -35.998 -61.278 1.00 52.42 C ATOM 0 H THR A 47 46.270 -35.894 -59.379 1.00 1.14 H new ATOM 0 HA THR A 47 44.451 -37.840 -58.518 1.00 71.24 H new ATOM 0 HB THR A 47 42.765 -36.143 -59.273 1.00 65.34 H new ATOM 0 HG1 THR A 47 41.697 -37.684 -60.784 1.00 61.11 H new ATOM 0 HG21 THR A 47 42.519 -35.713 -61.690 1.00 52.42 H new ATOM 0 HG22 THR A 47 44.070 -35.102 -61.068 1.00 52.42 H new ATOM 0 HG23 THR A 47 44.020 -36.617 -61.999 1.00 52.42 H new ATOM 681 N HIS A 48 44.806 -39.008 -60.991 1.00 52.42 N ATOM 682 CA HIS A 48 45.456 -39.830 -62.005 1.00 24.54 C ATOM 683 C HIS A 48 44.579 -39.959 -63.246 1.00 12.40 C ATOM 684 O HIS A 48 43.353 -40.014 -63.149 1.00 33.31 O ATOM 685 CB HIS A 48 45.770 -41.217 -61.442 1.00 34.12 C ATOM 686 CG HIS A 48 46.769 -41.981 -62.254 1.00 62.51 C ATOM 687 ND1 HIS A 48 46.497 -43.208 -62.823 1.00 10.14 N ATOM 688 CD2 HIS A 48 48.046 -41.686 -62.594 1.00 33.03 C ATOM 689 CE1 HIS A 48 47.563 -43.635 -63.475 1.00 44.42 C ATOM 690 NE2 HIS A 48 48.517 -42.729 -63.352 1.00 61.13 N ATOM 0 H HIS A 48 43.853 -39.293 -60.764 1.00 52.42 H new ATOM 0 HA HIS A 48 46.388 -39.341 -62.290 1.00 24.54 H new ATOM 0 HB2 HIS A 48 46.146 -41.110 -60.425 1.00 34.12 H new ATOM 0 HB3 HIS A 48 44.847 -41.793 -61.381 1.00 34.12 H new ATOM 0 HD2 HIS A 48 48.592 -40.796 -62.320 1.00 33.03 H new ATOM 0 HE1 HIS A 48 47.642 -44.566 -64.017 1.00 44.42 H new ATOM 0 HE2 HIS A 48 49.452 -42.794 -63.755 1.00 61.13 H new ATOM 698 N PHE A 49 45.215 -40.004 -64.412 1.00 75.10 N ATOM 699 CA PHE A 49 44.492 -40.124 -65.673 1.00 14.22 C ATOM 700 C PHE A 49 45.103 -41.213 -66.549 1.00 32.41 C ATOM 701 O PHE A 49 46.305 -41.213 -66.813 1.00 4.24 O ATOM 702 CB PHE A 49 44.501 -38.788 -66.419 1.00 61.24 C ATOM 703 CG PHE A 49 45.799 -38.043 -66.297 1.00 42.55 C ATOM 704 CD1 PHE A 49 46.887 -38.385 -67.085 1.00 33.33 C ATOM 705 CD2 PHE A 49 45.932 -36.999 -65.396 1.00 53.42 C ATOM 706 CE1 PHE A 49 48.082 -37.701 -66.974 1.00 25.22 C ATOM 707 CE2 PHE A 49 47.125 -36.311 -65.281 1.00 40.52 C ATOM 708 CZ PHE A 49 48.201 -36.662 -66.072 1.00 5.21 C ATOM 0 H PHE A 49 46.229 -39.959 -64.510 1.00 75.10 H new ATOM 0 HA PHE A 49 43.462 -40.400 -65.448 1.00 14.22 H new ATOM 0 HB2 PHE A 49 44.292 -38.968 -67.474 1.00 61.24 H new ATOM 0 HB3 PHE A 49 43.695 -38.162 -66.037 1.00 61.24 H new ATOM 0 HD1 PHE A 49 46.799 -39.195 -67.794 1.00 33.33 H new ATOM 0 HD2 PHE A 49 45.093 -36.719 -64.776 1.00 53.42 H new ATOM 0 HE1 PHE A 49 48.923 -37.979 -67.592 1.00 25.22 H new ATOM 0 HE2 PHE A 49 47.216 -35.500 -64.574 1.00 40.52 H new ATOM 0 HZ PHE A 49 49.134 -36.125 -65.985 1.00 5.21 H new ATOM 718 N LYS A 50 44.266 -42.143 -66.997 1.00 54.31 N ATOM 719 CA LYS A 50 44.721 -43.239 -67.844 1.00 54.21 C ATOM 720 C LYS A 50 43.868 -43.343 -69.104 1.00 54.13 C ATOM 721 O LYS A 50 42.676 -43.647 -69.036 1.00 71.14 O ATOM 722 CB LYS A 50 44.673 -44.560 -67.073 1.00 45.10 C ATOM 723 CG LYS A 50 45.133 -45.757 -67.888 1.00 12.50 C ATOM 724 CD LYS A 50 44.204 -46.945 -67.706 1.00 30.15 C ATOM 725 CE LYS A 50 44.981 -48.221 -67.419 1.00 10.24 C ATOM 726 NZ LYS A 50 44.491 -49.365 -68.237 1.00 11.44 N ATOM 0 H LYS A 50 43.268 -42.159 -66.787 1.00 54.31 H new ATOM 0 HA LYS A 50 45.750 -43.034 -68.139 1.00 54.21 H new ATOM 0 HB2 LYS A 50 45.297 -44.475 -66.184 1.00 45.10 H new ATOM 0 HB3 LYS A 50 43.653 -44.734 -66.731 1.00 45.10 H new ATOM 0 HG2 LYS A 50 45.176 -45.486 -68.943 1.00 12.50 H new ATOM 0 HG3 LYS A 50 46.144 -46.035 -67.589 1.00 12.50 H new ATOM 0 HD2 LYS A 50 43.513 -46.746 -66.886 1.00 30.15 H new ATOM 0 HD3 LYS A 50 43.602 -47.079 -68.605 1.00 30.15 H new ATOM 0 HE2 LYS A 50 46.039 -48.056 -67.623 1.00 10.24 H new ATOM 0 HE3 LYS A 50 44.895 -48.468 -66.361 1.00 10.24 H new ATOM 0 HZ1 LYS A 50 45.046 -50.215 -68.012 1.00 11.44 H new ATOM 0 HZ2 LYS A 50 43.488 -49.540 -68.024 1.00 11.44 H new ATOM 0 HZ3 LYS A 50 44.596 -49.140 -69.247 1.00 11.44 H new ATOM 740 N LEU A 51 44.485 -43.090 -70.253 1.00 74.12 N ATOM 741 CA LEU A 51 43.782 -43.157 -71.530 1.00 10.11 C ATOM 742 C LEU A 51 44.510 -44.076 -72.505 1.00 24.41 C ATOM 743 O LEU A 51 45.716 -43.942 -72.718 1.00 13.43 O ATOM 744 CB LEU A 51 43.647 -41.758 -72.134 1.00 61.12 C ATOM 745 CG LEU A 51 42.679 -41.626 -73.310 1.00 42.55 C ATOM 746 CD1 LEU A 51 41.928 -40.305 -73.238 1.00 24.03 C ATOM 747 CD2 LEU A 51 43.425 -41.745 -74.631 1.00 45.23 C ATOM 0 H LEU A 51 45.470 -42.837 -70.327 1.00 74.12 H new ATOM 0 HA LEU A 51 42.788 -43.565 -71.348 1.00 10.11 H new ATOM 0 HB2 LEU A 51 43.328 -41.074 -71.348 1.00 61.12 H new ATOM 0 HB3 LEU A 51 44.633 -41.429 -72.462 1.00 61.12 H new ATOM 0 HG LEU A 51 41.953 -42.437 -73.251 1.00 42.55 H new ATOM 0 HD11 LEU A 51 41.244 -40.229 -74.083 1.00 24.03 H new ATOM 0 HD12 LEU A 51 41.362 -40.258 -72.308 1.00 24.03 H new ATOM 0 HD13 LEU A 51 42.639 -39.480 -73.272 1.00 24.03 H new ATOM 0 HD21 LEU A 51 42.720 -41.649 -75.457 1.00 45.23 H new ATOM 0 HD22 LEU A 51 44.173 -40.955 -74.699 1.00 45.23 H new ATOM 0 HD23 LEU A 51 43.917 -42.716 -74.685 1.00 45.23 H new ATOM 759 N ILE A 52 43.771 -45.009 -73.096 1.00 12.23 N ATOM 760 CA ILE A 52 44.346 -45.948 -74.051 1.00 11.14 C ATOM 761 C ILE A 52 43.560 -45.954 -75.357 1.00 51.13 C ATOM 762 O ILE A 52 42.387 -46.325 -75.386 1.00 64.12 O ATOM 763 CB ILE A 52 44.384 -47.378 -73.481 1.00 34.24 C ATOM 764 CG1 ILE A 52 42.984 -47.812 -73.040 1.00 70.13 C ATOM 765 CG2 ILE A 52 45.360 -47.459 -72.317 1.00 12.04 C ATOM 766 CD1 ILE A 52 42.471 -49.032 -73.773 1.00 52.34 C ATOM 0 H ILE A 52 42.772 -45.135 -72.930 1.00 12.23 H new ATOM 0 HA ILE A 52 45.366 -45.616 -74.245 1.00 11.14 H new ATOM 0 HB ILE A 52 44.725 -48.056 -74.263 1.00 34.24 H new ATOM 0 HG12 ILE A 52 42.997 -48.020 -71.970 1.00 70.13 H new ATOM 0 HG13 ILE A 52 42.290 -46.986 -73.196 1.00 70.13 H new ATOM 0 HG21 ILE A 52 45.375 -48.476 -71.925 1.00 12.04 H new ATOM 0 HG22 ILE A 52 46.358 -47.187 -72.660 1.00 12.04 H new ATOM 0 HG23 ILE A 52 45.047 -46.772 -71.531 1.00 12.04 H new ATOM 0 HD11 ILE A 52 41.474 -49.282 -73.410 1.00 52.34 H new ATOM 0 HD12 ILE A 52 42.426 -48.822 -74.842 1.00 52.34 H new ATOM 0 HD13 ILE A 52 43.143 -49.872 -73.597 1.00 52.34 H new ATOM 778 N ASN A 53 44.215 -45.541 -76.438 1.00 22.45 N ATOM 779 CA ASN A 53 43.578 -45.500 -77.749 1.00 30.43 C ATOM 780 C ASN A 53 44.187 -46.542 -78.682 1.00 74.42 C ATOM 781 O ASN A 53 45.299 -46.370 -79.180 1.00 64.30 O ATOM 782 CB ASN A 53 43.717 -44.106 -78.363 1.00 11.01 C ATOM 783 CG ASN A 53 43.272 -44.065 -79.812 1.00 73.50 C ATOM 784 OD1 ASN A 53 43.988 -43.566 -80.680 1.00 25.34 O ATOM 785 ND2 ASN A 53 42.083 -44.592 -80.080 1.00 75.23 N ATOM 0 H ASN A 53 45.186 -45.230 -76.431 1.00 22.45 H new ATOM 0 HA ASN A 53 42.520 -45.728 -77.619 1.00 30.43 H new ATOM 0 HB2 ASN A 53 43.126 -43.396 -77.784 1.00 11.01 H new ATOM 0 HB3 ASN A 53 44.756 -43.784 -78.296 1.00 11.01 H new ATOM 0 HD21 ASN A 53 41.730 -44.594 -81.037 1.00 75.23 H new ATOM 0 HD22 ASN A 53 41.523 -44.995 -79.329 1.00 75.23 H new ATOM 792 N ASP A 54 43.449 -47.622 -78.915 1.00 61.51 N ATOM 793 CA ASP A 54 43.915 -48.692 -79.790 1.00 72.11 C ATOM 794 C ASP A 54 43.731 -48.313 -81.256 1.00 64.34 C ATOM 795 O ASP A 54 44.492 -48.749 -82.120 1.00 63.33 O ATOM 796 CB ASP A 54 43.164 -49.990 -79.488 1.00 63.22 C ATOM 797 CG ASP A 54 44.101 -51.146 -79.195 1.00 11.30 C ATOM 798 OD1 ASP A 54 45.130 -50.920 -78.524 1.00 62.22 O ATOM 799 OD2 ASP A 54 43.804 -52.276 -79.636 1.00 3.35 O ATOM 0 H ASP A 54 42.526 -47.780 -78.510 1.00 61.51 H new ATOM 0 HA ASP A 54 44.978 -48.844 -79.603 1.00 72.11 H new ATOM 0 HB2 ASP A 54 42.505 -49.835 -78.634 1.00 63.22 H new ATOM 0 HB3 ASP A 54 42.530 -50.246 -80.337 1.00 63.22 H new ATOM 804 N SER A 55 42.716 -47.500 -81.530 1.00 3.12 N ATOM 805 CA SER A 55 42.430 -47.066 -82.892 1.00 73.32 C ATOM 806 C SER A 55 42.325 -48.263 -83.833 1.00 30.15 C ATOM 807 O SER A 55 42.345 -49.414 -83.396 1.00 21.34 O ATOM 808 CB SER A 55 43.517 -46.110 -83.385 1.00 4.21 C ATOM 809 OG SER A 55 42.950 -44.956 -83.982 1.00 21.44 O ATOM 0 H SER A 55 42.078 -47.128 -80.826 1.00 3.12 H new ATOM 0 HA SER A 55 41.473 -46.544 -82.887 1.00 73.32 H new ATOM 0 HB2 SER A 55 44.153 -45.816 -82.550 1.00 4.21 H new ATOM 0 HB3 SER A 55 44.155 -46.621 -84.107 1.00 4.21 H new ATOM 0 HG SER A 55 43.666 -44.360 -84.287 1.00 21.44 H new ATOM 815 N HIS A 56 42.213 -47.983 -85.127 1.00 52.41 N ATOM 816 CA HIS A 56 42.105 -49.035 -86.131 1.00 23.31 C ATOM 817 C HIS A 56 43.007 -48.741 -87.326 1.00 0.32 C ATOM 818 O HIS A 56 43.557 -47.646 -87.447 1.00 53.25 O ATOM 819 CB HIS A 56 40.656 -49.181 -86.595 1.00 13.23 C ATOM 820 CG HIS A 56 40.326 -50.548 -87.110 1.00 40.34 C ATOM 821 ND1 HIS A 56 40.650 -51.705 -86.435 1.00 35.34 N ATOM 822 CD2 HIS A 56 39.696 -50.939 -88.243 1.00 2.40 C ATOM 823 CE1 HIS A 56 40.235 -52.749 -87.130 1.00 34.11 C ATOM 824 NE2 HIS A 56 39.652 -52.311 -88.232 1.00 22.05 N ATOM 0 H HIS A 56 42.195 -47.036 -85.505 1.00 52.41 H new ATOM 0 HA HIS A 56 42.428 -49.971 -85.676 1.00 23.31 H new ATOM 0 HB2 HIS A 56 39.992 -48.945 -85.764 1.00 13.23 H new ATOM 0 HB3 HIS A 56 40.459 -48.449 -87.378 1.00 13.23 H new ATOM 0 HD2 HIS A 56 39.301 -50.292 -89.012 1.00 2.40 H new ATOM 0 HE1 HIS A 56 40.352 -53.784 -86.846 1.00 34.11 H new ATOM 0 HE2 HIS A 56 39.237 -52.897 -88.956 1.00 22.05 H new ATOM 1069 N THR A 75 35.219 -51.190 -78.878 1.00 12.43 N ATOM 1070 CA THR A 75 35.812 -49.942 -78.413 1.00 64.21 C ATOM 1071 C THR A 75 37.332 -50.045 -78.353 1.00 61.25 C ATOM 1072 O THR A 75 37.880 -51.073 -77.952 1.00 14.52 O ATOM 1073 CB THR A 75 35.281 -49.551 -77.021 1.00 73.23 C ATOM 1074 OG1 THR A 75 36.124 -50.100 -76.003 1.00 20.43 O ATOM 1075 CG2 THR A 75 33.855 -50.046 -76.828 1.00 22.00 C ATOM 0 HA THR A 75 35.530 -49.172 -79.131 1.00 64.21 H new ATOM 0 HB THR A 75 35.285 -48.464 -76.947 1.00 73.23 H new ATOM 0 HG1 THR A 75 36.370 -49.396 -75.367 1.00 20.43 H new ATOM 0 HG21 THR A 75 33.501 -49.758 -75.838 1.00 22.00 H new ATOM 0 HG22 THR A 75 33.210 -49.603 -77.587 1.00 22.00 H new ATOM 0 HG23 THR A 75 33.831 -51.132 -76.921 1.00 22.00 H new ATOM 1083 N HIS A 76 38.009 -48.974 -78.755 1.00 64.21 N ATOM 1084 CA HIS A 76 39.468 -48.944 -78.746 1.00 33.12 C ATOM 1085 C HIS A 76 39.982 -47.801 -77.876 1.00 50.23 C ATOM 1086 O HIS A 76 41.125 -47.821 -77.419 1.00 12.14 O ATOM 1087 CB HIS A 76 40.005 -48.799 -80.170 1.00 11.21 C ATOM 1088 CG HIS A 76 39.714 -49.980 -81.043 1.00 64.41 C ATOM 1089 ND1 HIS A 76 39.795 -49.937 -82.419 1.00 34.30 N ATOM 1090 CD2 HIS A 76 39.344 -51.244 -80.729 1.00 1.23 C ATOM 1091 CE1 HIS A 76 39.484 -51.122 -82.913 1.00 64.43 C ATOM 1092 NE2 HIS A 76 39.207 -51.934 -81.908 1.00 44.53 N ATOM 0 H HIS A 76 37.571 -48.116 -79.091 1.00 64.21 H new ATOM 0 HA HIS A 76 39.824 -49.885 -78.326 1.00 33.12 H new ATOM 0 HB2 HIS A 76 39.573 -47.907 -80.623 1.00 11.21 H new ATOM 0 HB3 HIS A 76 41.083 -48.645 -80.129 1.00 11.21 H new ATOM 0 HD2 HIS A 76 39.186 -51.637 -79.735 1.00 1.23 H new ATOM 0 HE1 HIS A 76 39.460 -51.383 -83.961 1.00 64.43 H new ATOM 0 HE2 HIS A 76 38.936 -52.913 -81.994 1.00 44.53 H new ATOM 1100 N PHE A 77 39.131 -46.805 -77.653 1.00 41.41 N ATOM 1101 CA PHE A 77 39.500 -45.652 -76.840 1.00 42.30 C ATOM 1102 C PHE A 77 38.705 -45.628 -75.538 1.00 2.32 C ATOM 1103 O PHE A 77 37.489 -45.820 -75.537 1.00 2.42 O ATOM 1104 CB PHE A 77 39.265 -44.356 -77.618 1.00 53.44 C ATOM 1105 CG PHE A 77 39.347 -43.121 -76.767 1.00 23.34 C ATOM 1106 CD1 PHE A 77 38.271 -42.727 -75.988 1.00 73.34 C ATOM 1107 CD2 PHE A 77 40.502 -42.355 -76.744 1.00 34.44 C ATOM 1108 CE1 PHE A 77 38.344 -41.592 -75.204 1.00 50.43 C ATOM 1109 CE2 PHE A 77 40.581 -41.219 -75.961 1.00 51.31 C ATOM 1110 CZ PHE A 77 39.501 -40.837 -75.190 1.00 31.04 C ATOM 0 H PHE A 77 38.181 -46.773 -78.024 1.00 41.41 H new ATOM 0 HA PHE A 77 40.559 -45.735 -76.597 1.00 42.30 H new ATOM 0 HB2 PHE A 77 40.000 -44.285 -78.419 1.00 53.44 H new ATOM 0 HB3 PHE A 77 38.283 -44.398 -78.089 1.00 53.44 H new ATOM 0 HD1 PHE A 77 37.365 -43.314 -75.994 1.00 73.34 H new ATOM 0 HD2 PHE A 77 41.350 -42.649 -77.345 1.00 34.44 H new ATOM 0 HE1 PHE A 77 37.498 -41.295 -74.603 1.00 50.43 H new ATOM 0 HE2 PHE A 77 41.487 -40.631 -75.952 1.00 51.31 H new ATOM 0 HZ PHE A 77 39.561 -39.950 -74.577 1.00 31.04 H new ATOM 1120 N ARG A 78 39.402 -45.391 -74.431 1.00 34.32 N ATOM 1121 CA ARG A 78 38.762 -45.344 -73.121 1.00 41.14 C ATOM 1122 C ARG A 78 39.486 -44.369 -72.198 1.00 24.14 C ATOM 1123 O ARG A 78 40.708 -44.223 -72.266 1.00 54.11 O ATOM 1124 CB ARG A 78 38.738 -46.738 -72.491 1.00 53.34 C ATOM 1125 CG ARG A 78 40.086 -47.185 -71.950 1.00 34.10 C ATOM 1126 CD ARG A 78 40.006 -47.526 -70.470 1.00 43.41 C ATOM 1127 NE ARG A 78 39.415 -48.841 -70.242 1.00 60.41 N ATOM 1128 CZ ARG A 78 40.094 -49.979 -70.340 1.00 31.04 C ATOM 1129 NH1 ARG A 78 41.381 -49.962 -70.659 1.00 14.23 N ATOM 1130 NH2 ARG A 78 39.486 -51.137 -70.117 1.00 73.22 N ATOM 0 H ARG A 78 40.409 -45.229 -74.415 1.00 34.32 H new ATOM 0 HA ARG A 78 37.738 -44.997 -73.257 1.00 41.14 H new ATOM 0 HB2 ARG A 78 38.009 -46.749 -71.681 1.00 53.34 H new ATOM 0 HB3 ARG A 78 38.398 -47.458 -73.235 1.00 53.34 H new ATOM 0 HG2 ARG A 78 40.433 -48.055 -72.507 1.00 34.10 H new ATOM 0 HG3 ARG A 78 40.821 -46.395 -72.103 1.00 34.10 H new ATOM 0 HD2 ARG A 78 41.006 -47.498 -70.037 1.00 43.41 H new ATOM 0 HD3 ARG A 78 39.415 -46.769 -69.955 1.00 43.41 H new ATOM 0 HE ARG A 78 38.427 -48.889 -69.994 1.00 60.41 H new ATOM 0 HH11 ARG A 78 41.852 -49.074 -70.830 1.00 14.23 H new ATOM 0 HH12 ARG A 78 41.900 -50.837 -70.733 1.00 14.23 H new ATOM 0 HH21 ARG A 78 38.496 -51.154 -69.870 1.00 73.22 H new ATOM 0 HH22 ARG A 78 40.008 -52.010 -70.193 1.00 73.22 H new ATOM 1144 N LEU A 79 38.726 -43.704 -71.335 1.00 21.12 N ATOM 1145 CA LEU A 79 39.295 -42.742 -70.397 1.00 31.31 C ATOM 1146 C LEU A 79 38.941 -43.109 -68.959 1.00 54.23 C ATOM 1147 O LEU A 79 37.770 -43.283 -68.624 1.00 55.21 O ATOM 1148 CB LEU A 79 38.793 -41.333 -70.714 1.00 50.44 C ATOM 1149 CG LEU A 79 39.804 -40.201 -70.524 1.00 31.43 C ATOM 1150 CD1 LEU A 79 39.272 -38.905 -71.114 1.00 14.34 C ATOM 1151 CD2 LEU A 79 40.133 -40.023 -69.049 1.00 33.14 C ATOM 0 H LEU A 79 37.714 -43.813 -71.265 1.00 21.12 H new ATOM 0 HA LEU A 79 40.380 -42.767 -70.502 1.00 31.31 H new ATOM 0 HB2 LEU A 79 38.449 -41.316 -71.748 1.00 50.44 H new ATOM 0 HB3 LEU A 79 37.926 -41.128 -70.086 1.00 50.44 H new ATOM 0 HG LEU A 79 40.721 -40.466 -71.051 1.00 31.43 H new ATOM 0 HD11 LEU A 79 40.005 -38.111 -70.969 1.00 14.34 H new ATOM 0 HD12 LEU A 79 39.088 -39.039 -72.180 1.00 14.34 H new ATOM 0 HD13 LEU A 79 38.341 -38.634 -70.616 1.00 14.34 H new ATOM 0 HD21 LEU A 79 40.854 -39.214 -68.932 1.00 33.14 H new ATOM 0 HD22 LEU A 79 39.223 -39.781 -68.500 1.00 33.14 H new ATOM 0 HD23 LEU A 79 40.558 -40.947 -68.657 1.00 33.14 H new ATOM 1163 N GLU A 80 39.961 -43.222 -68.114 1.00 73.13 N ATOM 1164 CA GLU A 80 39.756 -43.566 -66.712 1.00 74.42 C ATOM 1165 C GLU A 80 40.610 -42.686 -65.805 1.00 43.22 C ATOM 1166 O GLU A 80 41.839 -42.697 -65.888 1.00 35.20 O ATOM 1167 CB GLU A 80 40.089 -45.040 -66.472 1.00 22.31 C ATOM 1168 CG GLU A 80 39.486 -45.977 -67.505 1.00 32.11 C ATOM 1169 CD GLU A 80 39.011 -47.284 -66.900 1.00 71.13 C ATOM 1170 OE1 GLU A 80 39.410 -47.587 -65.756 1.00 72.32 O ATOM 1171 OE2 GLU A 80 38.241 -48.003 -67.570 1.00 62.55 O ATOM 0 H GLU A 80 40.937 -43.080 -68.376 1.00 73.13 H new ATOM 0 HA GLU A 80 38.707 -43.394 -66.472 1.00 74.42 H new ATOM 0 HB2 GLU A 80 41.172 -45.163 -66.470 1.00 22.31 H new ATOM 0 HB3 GLU A 80 39.734 -45.327 -65.482 1.00 22.31 H new ATOM 0 HG2 GLU A 80 38.647 -45.481 -67.994 1.00 32.11 H new ATOM 0 HG3 GLU A 80 40.227 -46.186 -68.277 1.00 32.11 H new ATOM 1178 N VAL A 81 39.951 -41.922 -64.939 1.00 71.35 N ATOM 1179 CA VAL A 81 40.649 -41.036 -64.016 1.00 52.41 C ATOM 1180 C VAL A 81 40.399 -41.443 -62.568 1.00 54.44 C ATOM 1181 O VAL A 81 39.266 -41.730 -62.179 1.00 2.13 O ATOM 1182 CB VAL A 81 40.214 -39.570 -64.208 1.00 61.54 C ATOM 1183 CG1 VAL A 81 40.236 -39.196 -65.682 1.00 52.05 C ATOM 1184 CG2 VAL A 81 38.833 -39.342 -63.612 1.00 64.21 C ATOM 0 H VAL A 81 38.934 -41.899 -64.858 1.00 71.35 H new ATOM 0 HA VAL A 81 41.713 -41.124 -64.237 1.00 52.41 H new ATOM 0 HB VAL A 81 40.921 -38.927 -63.684 1.00 61.54 H new ATOM 0 HG11 VAL A 81 39.926 -38.158 -65.799 1.00 52.05 H new ATOM 0 HG12 VAL A 81 41.246 -39.319 -66.074 1.00 52.05 H new ATOM 0 HG13 VAL A 81 39.552 -39.843 -66.232 1.00 52.05 H new ATOM 0 HG21 VAL A 81 38.542 -38.302 -63.756 1.00 64.21 H new ATOM 0 HG22 VAL A 81 38.112 -39.993 -64.106 1.00 64.21 H new ATOM 0 HG23 VAL A 81 38.855 -39.568 -62.546 1.00 64.21 H new ATOM 1194 N THR A 82 41.464 -41.465 -61.773 1.00 72.01 N ATOM 1195 CA THR A 82 41.361 -41.837 -60.368 1.00 33.41 C ATOM 1196 C THR A 82 41.806 -40.695 -59.462 1.00 62.02 C ATOM 1197 O THR A 82 42.979 -40.320 -59.451 1.00 32.53 O ATOM 1198 CB THR A 82 42.206 -43.086 -60.054 1.00 44.10 C ATOM 1199 OG1 THR A 82 41.890 -44.136 -60.975 1.00 31.14 O ATOM 1200 CG2 THR A 82 41.961 -43.562 -58.630 1.00 41.21 C ATOM 0 H THR A 82 42.408 -41.229 -62.079 1.00 72.01 H new ATOM 0 HA THR A 82 40.311 -42.060 -60.177 1.00 33.41 H new ATOM 0 HB THR A 82 43.258 -42.820 -60.155 1.00 44.10 H new ATOM 0 HG1 THR A 82 42.433 -44.926 -60.770 1.00 31.14 H new ATOM 0 HG21 THR A 82 42.569 -44.445 -58.432 1.00 41.21 H new ATOM 0 HG22 THR A 82 42.231 -42.771 -57.930 1.00 41.21 H new ATOM 0 HG23 THR A 82 40.907 -43.812 -58.506 1.00 41.21 H new ATOM 1208 N SER A 83 40.863 -40.145 -58.704 1.00 24.14 N ATOM 1209 CA SER A 83 41.159 -39.042 -57.796 1.00 71.53 C ATOM 1210 C SER A 83 40.768 -39.397 -56.365 1.00 34.11 C ATOM 1211 O SER A 83 39.589 -39.384 -56.010 1.00 53.25 O ATOM 1212 CB SER A 83 40.422 -37.777 -58.240 1.00 33.50 C ATOM 1213 OG SER A 83 39.580 -38.040 -59.349 1.00 34.40 O ATOM 0 H SER A 83 39.888 -40.445 -58.700 1.00 24.14 H new ATOM 0 HA SER A 83 42.233 -38.857 -57.825 1.00 71.53 H new ATOM 0 HB2 SER A 83 39.828 -37.389 -57.412 1.00 33.50 H new ATOM 0 HB3 SER A 83 41.145 -37.005 -58.503 1.00 33.50 H new ATOM 0 HG SER A 83 39.627 -37.292 -59.980 1.00 34.40 H new ATOM 1219 N ASP A 84 41.765 -39.714 -55.547 1.00 43.01 N ATOM 1220 CA ASP A 84 41.527 -40.072 -54.153 1.00 44.44 C ATOM 1221 C ASP A 84 40.885 -41.451 -54.048 1.00 72.15 C ATOM 1222 O ASP A 84 40.602 -41.933 -52.952 1.00 64.31 O ATOM 1223 CB ASP A 84 40.635 -39.027 -53.482 1.00 14.11 C ATOM 1224 CG ASP A 84 40.952 -37.616 -53.936 1.00 42.21 C ATOM 1225 OD1 ASP A 84 41.957 -37.050 -53.457 1.00 3.02 O ATOM 1226 OD2 ASP A 84 40.196 -37.078 -54.771 1.00 43.45 O ATOM 0 H ASP A 84 42.746 -39.731 -55.825 1.00 43.01 H new ATOM 0 HA ASP A 84 42.489 -40.100 -53.641 1.00 44.44 H new ATOM 0 HB2 ASP A 84 39.591 -39.250 -53.702 1.00 14.11 H new ATOM 0 HB3 ASP A 84 40.754 -39.093 -52.401 1.00 14.11 H new ATOM 1231 N ALA A 85 40.656 -42.080 -55.196 1.00 74.44 N ATOM 1232 CA ALA A 85 40.047 -43.404 -55.233 1.00 62.55 C ATOM 1233 C ALA A 85 38.857 -43.489 -54.284 1.00 1.41 C ATOM 1234 O ALA A 85 38.990 -43.934 -53.144 1.00 0.54 O ATOM 1235 CB ALA A 85 41.078 -44.469 -54.887 1.00 12.34 C ATOM 0 H ALA A 85 40.883 -41.694 -56.113 1.00 74.44 H new ATOM 0 HA ALA A 85 39.683 -43.581 -56.245 1.00 62.55 H new ATOM 0 HB1 ALA A 85 40.610 -45.453 -54.918 1.00 12.34 H new ATOM 0 HB2 ALA A 85 41.895 -44.433 -55.608 1.00 12.34 H new ATOM 0 HB3 ALA A 85 41.469 -44.285 -53.886 1.00 12.34 H new ATOM 1241 N PHE A 86 37.694 -43.058 -54.761 1.00 11.22 N ATOM 1242 CA PHE A 86 36.480 -43.083 -53.953 1.00 50.12 C ATOM 1243 C PHE A 86 35.286 -42.563 -54.749 1.00 4.20 C ATOM 1244 O PHE A 86 34.623 -41.608 -54.343 1.00 60.32 O ATOM 1245 CB PHE A 86 36.667 -42.245 -52.687 1.00 2.02 C ATOM 1246 CG PHE A 86 36.001 -42.832 -51.475 1.00 70.35 C ATOM 1247 CD1 PHE A 86 36.439 -44.033 -50.942 1.00 31.54 C ATOM 1248 CD2 PHE A 86 34.936 -42.183 -50.871 1.00 64.30 C ATOM 1249 CE1 PHE A 86 35.828 -44.577 -49.827 1.00 3.42 C ATOM 1250 CE2 PHE A 86 34.322 -42.721 -49.756 1.00 22.21 C ATOM 1251 CZ PHE A 86 34.768 -43.920 -49.234 1.00 12.11 C ATOM 0 H PHE A 86 37.566 -42.687 -55.703 1.00 11.22 H new ATOM 0 HA PHE A 86 36.283 -44.117 -53.670 1.00 50.12 H new ATOM 0 HB2 PHE A 86 37.733 -42.135 -52.488 1.00 2.02 H new ATOM 0 HB3 PHE A 86 36.270 -41.245 -52.861 1.00 2.02 H new ATOM 0 HD1 PHE A 86 37.267 -44.551 -51.403 1.00 31.54 H new ATOM 0 HD2 PHE A 86 34.582 -41.247 -51.276 1.00 64.30 H new ATOM 0 HE1 PHE A 86 36.179 -45.514 -49.421 1.00 3.42 H new ATOM 0 HE2 PHE A 86 33.494 -42.205 -49.293 1.00 22.21 H new ATOM 0 HZ PHE A 86 34.288 -44.343 -48.364 1.00 12.11 H new ATOM 1261 N LYS A 87 35.019 -43.197 -55.886 1.00 21.05 N ATOM 1262 CA LYS A 87 33.906 -42.801 -56.740 1.00 10.21 C ATOM 1263 C LYS A 87 32.600 -42.771 -55.953 1.00 12.44 C ATOM 1264 O LYS A 87 32.362 -43.618 -55.093 1.00 2.11 O ATOM 1265 CB LYS A 87 33.778 -43.762 -57.924 1.00 51.20 C ATOM 1266 CG LYS A 87 32.978 -43.195 -59.084 1.00 14.33 C ATOM 1267 CD LYS A 87 31.483 -43.347 -58.857 1.00 71.11 C ATOM 1268 CE LYS A 87 30.864 -44.315 -59.854 1.00 30.34 C ATOM 1269 NZ LYS A 87 29.386 -44.407 -59.693 1.00 24.50 N ATOM 0 H LYS A 87 35.559 -43.988 -56.237 1.00 21.05 H new ATOM 0 HA LYS A 87 34.107 -41.797 -57.114 1.00 10.21 H new ATOM 0 HB2 LYS A 87 34.775 -44.026 -58.276 1.00 51.20 H new ATOM 0 HB3 LYS A 87 33.306 -44.683 -57.584 1.00 51.20 H new ATOM 0 HG2 LYS A 87 33.222 -42.141 -59.214 1.00 14.33 H new ATOM 0 HG3 LYS A 87 33.261 -43.704 -60.005 1.00 14.33 H new ATOM 0 HD2 LYS A 87 31.302 -43.703 -57.843 1.00 71.11 H new ATOM 0 HD3 LYS A 87 31.000 -42.374 -58.945 1.00 71.11 H new ATOM 0 HE2 LYS A 87 31.100 -43.992 -60.868 1.00 30.34 H new ATOM 0 HE3 LYS A 87 31.306 -45.303 -59.723 1.00 30.34 H new ATOM 0 HZ1 LYS A 87 29.002 -45.076 -60.390 1.00 24.50 H new ATOM 0 HZ2 LYS A 87 29.161 -44.740 -58.734 1.00 24.50 H new ATOM 0 HZ3 LYS A 87 28.961 -43.469 -59.843 1.00 24.50 H new ATOM 1283 N GLY A 88 31.755 -41.789 -56.254 1.00 31.03 N ATOM 1284 CA GLY A 88 30.483 -41.668 -55.566 1.00 32.21 C ATOM 1285 C GLY A 88 29.512 -40.762 -56.297 1.00 3.31 C ATOM 1286 O GLY A 88 28.782 -41.207 -57.183 1.00 31.41 O ATOM 0 H GLY A 88 31.929 -41.075 -56.962 1.00 31.03 H new ATOM 0 HA2 GLY A 88 30.038 -42.657 -55.454 1.00 32.21 H new ATOM 0 HA3 GLY A 88 30.652 -41.279 -54.562 1.00 32.21 H new ATOM 1290 N LEU A 89 29.502 -39.486 -55.925 1.00 61.51 N ATOM 1291 CA LEU A 89 28.612 -38.514 -56.551 1.00 23.33 C ATOM 1292 C LEU A 89 29.409 -37.417 -57.249 1.00 62.11 C ATOM 1293 O LEU A 89 30.588 -37.211 -56.960 1.00 44.31 O ATOM 1294 CB LEU A 89 27.682 -37.898 -55.504 1.00 43.44 C ATOM 1295 CG LEU A 89 28.269 -37.725 -54.103 1.00 44.52 C ATOM 1296 CD1 LEU A 89 29.248 -36.561 -54.074 1.00 51.35 C ATOM 1297 CD2 LEU A 89 27.160 -37.517 -53.082 1.00 43.42 C ATOM 0 H LEU A 89 30.100 -39.101 -55.194 1.00 61.51 H new ATOM 0 HA LEU A 89 28.013 -39.034 -57.299 1.00 23.33 H new ATOM 0 HB2 LEU A 89 27.359 -36.921 -55.864 1.00 43.44 H new ATOM 0 HB3 LEU A 89 26.790 -38.520 -55.428 1.00 43.44 H new ATOM 0 HG LEU A 89 28.810 -38.635 -53.842 1.00 44.52 H new ATOM 0 HD11 LEU A 89 29.655 -36.453 -53.069 1.00 51.35 H new ATOM 0 HD12 LEU A 89 30.060 -36.751 -54.776 1.00 51.35 H new ATOM 0 HD13 LEU A 89 28.731 -35.644 -54.356 1.00 51.35 H new ATOM 0 HD21 LEU A 89 27.596 -37.396 -52.091 1.00 43.42 H new ATOM 0 HD22 LEU A 89 26.591 -36.624 -53.340 1.00 43.42 H new ATOM 0 HD23 LEU A 89 26.497 -38.382 -53.083 1.00 43.42 H new ATOM 1309 N THR A 90 28.757 -36.713 -58.169 1.00 71.33 N ATOM 1310 CA THR A 90 29.404 -35.636 -58.908 1.00 74.42 C ATOM 1311 C THR A 90 30.613 -36.149 -59.681 1.00 61.24 C ATOM 1312 O THR A 90 31.576 -35.415 -59.906 1.00 42.22 O ATOM 1313 CB THR A 90 29.853 -34.501 -57.969 1.00 34.21 C ATOM 1314 OG1 THR A 90 31.145 -34.795 -57.428 1.00 64.30 O ATOM 1315 CG2 THR A 90 28.855 -34.309 -56.836 1.00 61.44 C ATOM 0 H THR A 90 27.781 -36.870 -58.420 1.00 71.33 H new ATOM 0 HA THR A 90 28.666 -35.246 -59.609 1.00 74.42 H new ATOM 0 HB THR A 90 29.903 -33.579 -58.548 1.00 34.21 H new ATOM 0 HG1 THR A 90 31.096 -35.612 -56.889 1.00 64.30 H new ATOM 0 HG21 THR A 90 29.193 -33.502 -56.186 1.00 61.44 H new ATOM 0 HG22 THR A 90 27.879 -34.056 -57.250 1.00 61.44 H new ATOM 0 HG23 THR A 90 28.777 -35.231 -56.260 1.00 61.44 H new ATOM 1323 N LEU A 91 30.558 -37.413 -60.087 1.00 53.10 N ATOM 1324 CA LEU A 91 31.649 -38.024 -60.837 1.00 25.41 C ATOM 1325 C LEU A 91 31.698 -37.488 -62.264 1.00 13.42 C ATOM 1326 O LEU A 91 32.772 -37.336 -62.845 1.00 61.14 O ATOM 1327 CB LEU A 91 31.491 -39.546 -60.857 1.00 42.32 C ATOM 1328 CG LEU A 91 30.498 -40.104 -61.877 1.00 41.33 C ATOM 1329 CD1 LEU A 91 30.722 -41.594 -62.080 1.00 71.20 C ATOM 1330 CD2 LEU A 91 29.068 -39.833 -61.433 1.00 2.21 C ATOM 0 H LEU A 91 29.769 -38.034 -59.909 1.00 53.10 H new ATOM 0 HA LEU A 91 32.585 -37.768 -60.341 1.00 25.41 H new ATOM 0 HB2 LEU A 91 32.468 -39.990 -61.050 1.00 42.32 H new ATOM 0 HB3 LEU A 91 31.183 -39.872 -59.864 1.00 42.32 H new ATOM 0 HG LEU A 91 30.663 -39.600 -62.829 1.00 41.33 H new ATOM 0 HD11 LEU A 91 30.006 -41.974 -62.809 1.00 71.20 H new ATOM 0 HD12 LEU A 91 31.735 -41.763 -62.444 1.00 71.20 H new ATOM 0 HD13 LEU A 91 30.585 -42.115 -61.132 1.00 71.20 H new ATOM 0 HD21 LEU A 91 28.375 -40.237 -62.171 1.00 2.21 H new ATOM 0 HD22 LEU A 91 28.890 -40.309 -60.469 1.00 2.21 H new ATOM 0 HD23 LEU A 91 28.913 -38.758 -61.341 1.00 2.21 H new ATOM 1342 N VAL A 92 30.526 -37.200 -62.822 1.00 42.42 N ATOM 1343 CA VAL A 92 30.435 -36.676 -64.180 1.00 35.21 C ATOM 1344 C VAL A 92 31.176 -35.351 -64.309 1.00 44.32 C ATOM 1345 O VAL A 92 31.567 -34.949 -65.406 1.00 31.04 O ATOM 1346 CB VAL A 92 28.968 -36.475 -64.606 1.00 1.20 C ATOM 1347 CG1 VAL A 92 28.194 -37.779 -64.489 1.00 61.02 C ATOM 1348 CG2 VAL A 92 28.317 -35.382 -63.772 1.00 33.11 C ATOM 0 H VAL A 92 29.627 -37.321 -62.355 1.00 42.42 H new ATOM 0 HA VAL A 92 30.899 -37.413 -64.836 1.00 35.21 H new ATOM 0 HB VAL A 92 28.950 -36.163 -65.650 1.00 1.20 H new ATOM 0 HG11 VAL A 92 27.160 -37.617 -64.794 1.00 61.02 H new ATOM 0 HG12 VAL A 92 28.649 -38.531 -65.133 1.00 61.02 H new ATOM 0 HG13 VAL A 92 28.217 -38.125 -63.455 1.00 61.02 H new ATOM 0 HG21 VAL A 92 27.281 -35.253 -64.086 1.00 33.11 H new ATOM 0 HG22 VAL A 92 28.345 -35.662 -62.719 1.00 33.11 H new ATOM 0 HG23 VAL A 92 28.858 -34.446 -63.913 1.00 33.11 H new ATOM 1358 N LYS A 93 31.369 -34.674 -63.182 1.00 34.22 N ATOM 1359 CA LYS A 93 32.066 -33.394 -63.167 1.00 13.43 C ATOM 1360 C LYS A 93 33.516 -33.558 -63.610 1.00 31.33 C ATOM 1361 O LYS A 93 34.039 -32.743 -64.370 1.00 31.13 O ATOM 1362 CB LYS A 93 32.016 -32.779 -61.766 1.00 52.01 C ATOM 1363 CG LYS A 93 32.862 -31.526 -61.621 1.00 61.12 C ATOM 1364 CD LYS A 93 33.958 -31.710 -60.584 1.00 54.04 C ATOM 1365 CE LYS A 93 34.512 -30.373 -60.116 1.00 62.24 C ATOM 1366 NZ LYS A 93 35.956 -30.465 -59.762 1.00 34.23 N ATOM 0 H LYS A 93 31.052 -34.991 -62.266 1.00 34.22 H new ATOM 0 HA LYS A 93 31.564 -32.727 -63.868 1.00 13.43 H new ATOM 0 HB2 LYS A 93 30.981 -32.539 -61.520 1.00 52.01 H new ATOM 0 HB3 LYS A 93 32.352 -33.520 -61.041 1.00 52.01 H new ATOM 0 HG2 LYS A 93 33.309 -31.274 -62.583 1.00 61.12 H new ATOM 0 HG3 LYS A 93 32.226 -30.688 -61.335 1.00 61.12 H new ATOM 0 HD2 LYS A 93 33.564 -32.261 -59.730 1.00 54.04 H new ATOM 0 HD3 LYS A 93 34.763 -32.311 -61.007 1.00 54.04 H new ATOM 0 HE2 LYS A 93 34.377 -29.629 -60.901 1.00 62.24 H new ATOM 0 HE3 LYS A 93 33.947 -30.029 -59.250 1.00 62.24 H new ATOM 0 HZ1 LYS A 93 36.394 -29.525 -59.844 1.00 34.23 H new ATOM 0 HZ2 LYS A 93 36.053 -30.808 -58.785 1.00 34.23 H new ATOM 0 HZ3 LYS A 93 36.431 -31.126 -60.410 1.00 34.23 H new ATOM 1380 N ARG A 94 34.159 -34.618 -63.131 1.00 5.01 N ATOM 1381 CA ARG A 94 35.549 -34.889 -63.478 1.00 62.13 C ATOM 1382 C ARG A 94 35.676 -35.279 -64.948 1.00 42.41 C ATOM 1383 O ARG A 94 36.522 -34.750 -65.671 1.00 12.14 O ATOM 1384 CB ARG A 94 36.110 -36.004 -62.594 1.00 20.22 C ATOM 1385 CG ARG A 94 36.467 -35.546 -61.189 1.00 74.21 C ATOM 1386 CD ARG A 94 37.946 -35.217 -61.069 1.00 44.14 C ATOM 1387 NE ARG A 94 38.203 -33.787 -61.220 1.00 12.05 N ATOM 1388 CZ ARG A 94 39.405 -33.238 -61.088 1.00 23.21 C ATOM 1389 NH1 ARG A 94 40.456 -33.996 -60.805 1.00 41.35 N ATOM 1390 NH2 ARG A 94 39.559 -31.929 -61.239 1.00 55.15 N ATOM 0 H ARG A 94 33.740 -35.303 -62.502 1.00 5.01 H new ATOM 0 HA ARG A 94 36.123 -33.978 -63.310 1.00 62.13 H new ATOM 0 HB2 ARG A 94 35.377 -36.808 -62.530 1.00 20.22 H new ATOM 0 HB3 ARG A 94 36.999 -36.420 -63.068 1.00 20.22 H new ATOM 0 HG2 ARG A 94 35.876 -34.668 -60.930 1.00 74.21 H new ATOM 0 HG3 ARG A 94 36.208 -36.327 -60.474 1.00 74.21 H new ATOM 0 HD2 ARG A 94 38.314 -35.551 -60.099 1.00 44.14 H new ATOM 0 HD3 ARG A 94 38.502 -35.767 -61.828 1.00 44.14 H new ATOM 0 HE ARG A 94 37.416 -33.176 -61.439 1.00 12.05 H new ATOM 0 HH11 ARG A 94 40.342 -35.003 -60.688 1.00 41.35 H new ATOM 0 HH12 ARG A 94 41.378 -33.572 -60.704 1.00 41.35 H new ATOM 0 HH21 ARG A 94 38.753 -31.342 -61.457 1.00 55.15 H new ATOM 0 HH22 ARG A 94 40.483 -31.509 -61.137 1.00 55.15 H new ATOM 1404 N HIS A 95 34.831 -36.207 -65.384 1.00 72.12 N ATOM 1405 CA HIS A 95 34.848 -36.668 -66.768 1.00 43.41 C ATOM 1406 C HIS A 95 34.468 -35.539 -67.721 1.00 41.42 C ATOM 1407 O HIS A 95 35.028 -35.420 -68.811 1.00 10.54 O ATOM 1408 CB HIS A 95 33.891 -37.846 -66.948 1.00 22.44 C ATOM 1409 CG HIS A 95 33.555 -38.132 -68.379 1.00 21.42 C ATOM 1410 ND1 HIS A 95 32.261 -38.176 -68.854 1.00 3.11 N ATOM 1411 CD2 HIS A 95 34.353 -38.389 -69.441 1.00 43.35 C ATOM 1412 CE1 HIS A 95 32.278 -38.448 -70.146 1.00 62.25 C ATOM 1413 NE2 HIS A 95 33.536 -38.582 -70.528 1.00 12.52 N ATOM 0 H HIS A 95 34.126 -36.655 -64.799 1.00 72.12 H new ATOM 0 HA HIS A 95 35.861 -36.994 -67.004 1.00 43.41 H new ATOM 0 HB2 HIS A 95 34.336 -38.736 -66.503 1.00 22.44 H new ATOM 0 HB3 HIS A 95 32.970 -37.642 -66.401 1.00 22.44 H new ATOM 0 HD1 HIS A 95 31.422 -38.022 -68.295 1.00 3.11 H new ATOM 0 HD2 HIS A 95 35.432 -38.434 -69.435 1.00 43.35 H new ATOM 0 HE1 HIS A 95 31.411 -38.545 -70.783 1.00 62.25 H new ATOM 1421 N GLN A 96 33.513 -34.714 -67.303 1.00 62.02 N ATOM 1422 CA GLN A 96 33.058 -33.596 -68.121 1.00 71.11 C ATOM 1423 C GLN A 96 34.092 -32.475 -68.134 1.00 53.23 C ATOM 1424 O GLN A 96 34.325 -31.843 -69.166 1.00 14.13 O ATOM 1425 CB GLN A 96 31.721 -33.067 -67.600 1.00 53.21 C ATOM 1426 CG GLN A 96 31.279 -31.772 -68.263 1.00 74.43 C ATOM 1427 CD GLN A 96 29.834 -31.815 -68.721 1.00 41.12 C ATOM 1428 OE1 GLN A 96 28.921 -31.997 -67.916 1.00 34.51 O ATOM 1429 NE2 GLN A 96 29.620 -31.646 -70.021 1.00 15.13 N ATOM 0 H GLN A 96 33.040 -34.799 -66.403 1.00 62.02 H new ATOM 0 HA GLN A 96 32.926 -33.955 -69.142 1.00 71.11 H new ATOM 0 HB2 GLN A 96 30.954 -33.826 -67.756 1.00 53.21 H new ATOM 0 HB3 GLN A 96 31.797 -32.907 -66.524 1.00 53.21 H new ATOM 0 HG2 GLN A 96 31.410 -30.947 -67.563 1.00 74.43 H new ATOM 0 HG3 GLN A 96 31.922 -31.569 -69.119 1.00 74.43 H new ATOM 0 HE21 GLN A 96 30.407 -31.498 -70.652 1.00 15.13 H new ATOM 0 HE22 GLN A 96 28.668 -31.664 -70.388 1.00 15.13 H new ATOM 1438 N LEU A 97 34.709 -32.232 -66.983 1.00 74.22 N ATOM 1439 CA LEU A 97 35.718 -31.186 -66.862 1.00 22.22 C ATOM 1440 C LEU A 97 36.803 -31.350 -67.922 1.00 34.32 C ATOM 1441 O LEU A 97 37.149 -30.398 -68.622 1.00 72.30 O ATOM 1442 CB LEU A 97 36.345 -31.214 -65.466 1.00 74.15 C ATOM 1443 CG LEU A 97 35.704 -30.296 -64.425 1.00 5.31 C ATOM 1444 CD1 LEU A 97 36.265 -30.586 -63.041 1.00 52.22 C ATOM 1445 CD2 LEU A 97 35.922 -28.836 -64.795 1.00 43.12 C ATOM 0 H LEU A 97 34.528 -32.745 -66.120 1.00 74.22 H new ATOM 0 HA LEU A 97 35.229 -30.224 -67.015 1.00 22.22 H new ATOM 0 HB2 LEU A 97 36.306 -32.237 -65.092 1.00 74.15 H new ATOM 0 HB3 LEU A 97 37.398 -30.948 -65.557 1.00 74.15 H new ATOM 0 HG LEU A 97 34.631 -30.490 -64.409 1.00 5.31 H new ATOM 0 HD11 LEU A 97 35.797 -29.923 -62.313 1.00 52.22 H new ATOM 0 HD12 LEU A 97 36.058 -31.622 -62.774 1.00 52.22 H new ATOM 0 HD13 LEU A 97 37.342 -30.420 -63.043 1.00 52.22 H new ATOM 0 HD21 LEU A 97 35.459 -28.197 -64.043 1.00 43.12 H new ATOM 0 HD22 LEU A 97 36.991 -28.628 -64.840 1.00 43.12 H new ATOM 0 HD23 LEU A 97 35.472 -28.636 -65.768 1.00 43.12 H new ATOM 1457 N ILE A 98 37.333 -32.563 -68.035 1.00 71.34 N ATOM 1458 CA ILE A 98 38.375 -32.852 -69.012 1.00 62.35 C ATOM 1459 C ILE A 98 37.780 -33.100 -70.394 1.00 71.23 C ATOM 1460 O ILE A 98 38.453 -32.931 -71.411 1.00 61.13 O ATOM 1461 CB ILE A 98 39.211 -34.078 -68.598 1.00 73.04 C ATOM 1462 CG1 ILE A 98 38.314 -35.310 -68.458 1.00 0.22 C ATOM 1463 CG2 ILE A 98 39.948 -33.801 -67.297 1.00 32.34 C ATOM 1464 CD1 ILE A 98 39.081 -36.613 -68.409 1.00 13.10 C ATOM 0 H ILE A 98 37.058 -33.361 -67.462 1.00 71.34 H new ATOM 0 HA ILE A 98 39.023 -31.976 -69.050 1.00 62.35 H new ATOM 0 HB ILE A 98 39.949 -34.276 -69.375 1.00 73.04 H new ATOM 0 HG12 ILE A 98 37.718 -35.214 -67.550 1.00 0.22 H new ATOM 0 HG13 ILE A 98 37.617 -35.339 -69.296 1.00 0.22 H new ATOM 0 HG21 ILE A 98 40.534 -34.676 -67.017 1.00 32.34 H new ATOM 0 HG22 ILE A 98 40.612 -32.947 -67.430 1.00 32.34 H new ATOM 0 HG23 ILE A 98 39.227 -33.581 -66.510 1.00 32.34 H new ATOM 0 HD11 ILE A 98 38.382 -37.443 -68.309 1.00 13.10 H new ATOM 0 HD12 ILE A 98 39.656 -36.731 -69.327 1.00 13.10 H new ATOM 0 HD13 ILE A 98 39.758 -36.605 -67.555 1.00 13.10 H new ATOM 1476 N TYR A 99 36.514 -33.500 -70.424 1.00 34.24 N ATOM 1477 CA TYR A 99 35.827 -33.772 -71.681 1.00 32.02 C ATOM 1478 C TYR A 99 36.758 -34.462 -72.672 1.00 64.33 C ATOM 1479 O TYR A 99 36.755 -34.154 -73.863 1.00 75.03 O ATOM 1480 CB TYR A 99 35.292 -32.473 -72.286 1.00 4.44 C ATOM 1481 CG TYR A 99 36.338 -31.388 -72.411 1.00 3.14 C ATOM 1482 CD1 TYR A 99 37.136 -31.292 -73.544 1.00 3.01 C ATOM 1483 CD2 TYR A 99 36.528 -30.458 -71.395 1.00 72.24 C ATOM 1484 CE1 TYR A 99 38.094 -30.303 -73.662 1.00 35.02 C ATOM 1485 CE2 TYR A 99 37.482 -29.465 -71.505 1.00 53.14 C ATOM 1486 CZ TYR A 99 38.262 -29.392 -72.640 1.00 43.22 C ATOM 1487 OH TYR A 99 39.214 -28.404 -72.755 1.00 32.35 O ATOM 0 H TYR A 99 35.942 -33.643 -69.592 1.00 34.24 H new ATOM 0 HA TYR A 99 34.990 -34.439 -71.471 1.00 32.02 H new ATOM 0 HB2 TYR A 99 34.880 -32.684 -73.273 1.00 4.44 H new ATOM 0 HB3 TYR A 99 34.471 -32.106 -71.670 1.00 4.44 H new ATOM 0 HD1 TYR A 99 37.005 -32.003 -74.347 1.00 3.01 H new ATOM 0 HD2 TYR A 99 35.919 -30.513 -70.505 1.00 72.24 H new ATOM 0 HE1 TYR A 99 38.707 -30.244 -74.549 1.00 35.02 H new ATOM 0 HE2 TYR A 99 37.616 -28.750 -70.707 1.00 53.14 H new ATOM 0 HH TYR A 99 39.204 -27.845 -71.950 1.00 32.35 H new ATOM 1497 N GLY A 100 37.557 -35.400 -72.170 1.00 53.24 N ATOM 1498 CA GLY A 100 38.483 -36.120 -73.024 1.00 73.53 C ATOM 1499 C GLY A 100 37.783 -37.115 -73.930 1.00 10.35 C ATOM 1500 O GLY A 100 38.176 -37.300 -75.082 1.00 61.20 O ATOM 0 H GLY A 100 37.579 -35.673 -71.188 1.00 53.24 H new ATOM 0 HA2 GLY A 100 39.039 -35.408 -73.633 1.00 73.53 H new ATOM 0 HA3 GLY A 100 39.210 -36.646 -72.405 1.00 73.53 H new ATOM 1504 N LEU A 101 36.744 -37.758 -73.408 1.00 40.30 N ATOM 1505 CA LEU A 101 35.988 -38.740 -74.177 1.00 21.53 C ATOM 1506 C LEU A 101 35.334 -38.094 -75.394 1.00 21.04 C ATOM 1507 O LEU A 101 35.070 -36.891 -75.404 1.00 52.01 O ATOM 1508 CB LEU A 101 34.921 -39.394 -73.297 1.00 10.02 C ATOM 1509 CG LEU A 101 34.075 -40.480 -73.963 1.00 12.34 C ATOM 1510 CD1 LEU A 101 34.942 -41.665 -74.358 1.00 10.04 C ATOM 1511 CD2 LEU A 101 32.952 -40.923 -73.037 1.00 33.45 C ATOM 0 H LEU A 101 36.406 -37.617 -72.456 1.00 40.30 H new ATOM 0 HA LEU A 101 36.682 -39.505 -74.525 1.00 21.53 H new ATOM 0 HB2 LEU A 101 35.413 -39.828 -72.426 1.00 10.02 H new ATOM 0 HB3 LEU A 101 34.253 -38.615 -72.931 1.00 10.02 H new ATOM 0 HG LEU A 101 33.631 -40.064 -74.867 1.00 12.34 H new ATOM 0 HD11 LEU A 101 34.323 -42.428 -74.830 1.00 10.04 H new ATOM 0 HD12 LEU A 101 35.710 -41.336 -75.058 1.00 10.04 H new ATOM 0 HD13 LEU A 101 35.416 -42.082 -73.469 1.00 10.04 H new ATOM 0 HD21 LEU A 101 32.360 -41.696 -73.527 1.00 33.45 H new ATOM 0 HD22 LEU A 101 33.376 -41.321 -72.115 1.00 33.45 H new ATOM 0 HD23 LEU A 101 32.314 -40.070 -72.805 1.00 33.45 H new ATOM 1523 N LEU A 102 35.074 -38.900 -76.417 1.00 34.23 N ATOM 1524 CA LEU A 102 34.448 -38.408 -77.639 1.00 13.41 C ATOM 1525 C LEU A 102 35.377 -37.450 -78.379 1.00 33.51 C ATOM 1526 O LEU A 102 34.999 -36.321 -78.692 1.00 64.53 O ATOM 1527 CB LEU A 102 33.128 -37.706 -77.312 1.00 44.55 C ATOM 1528 CG LEU A 102 32.086 -37.683 -78.431 1.00 14.24 C ATOM 1529 CD1 LEU A 102 31.093 -38.822 -78.258 1.00 20.01 C ATOM 1530 CD2 LEU A 102 31.364 -36.344 -78.459 1.00 55.43 C ATOM 0 H LEU A 102 35.287 -39.897 -76.425 1.00 34.23 H new ATOM 0 HA LEU A 102 34.248 -39.263 -78.285 1.00 13.41 H new ATOM 0 HB2 LEU A 102 32.687 -38.192 -76.442 1.00 44.55 H new ATOM 0 HB3 LEU A 102 33.348 -36.677 -77.026 1.00 44.55 H new ATOM 0 HG LEU A 102 32.599 -37.817 -79.383 1.00 14.24 H new ATOM 0 HD11 LEU A 102 30.359 -38.790 -79.063 1.00 20.01 H new ATOM 0 HD12 LEU A 102 31.623 -39.774 -78.287 1.00 20.01 H new ATOM 0 HD13 LEU A 102 30.585 -38.719 -77.299 1.00 20.01 H new ATOM 0 HD21 LEU A 102 30.626 -36.345 -79.261 1.00 55.43 H new ATOM 0 HD22 LEU A 102 30.863 -36.181 -77.505 1.00 55.43 H new ATOM 0 HD23 LEU A 102 32.085 -35.545 -78.631 1.00 55.43 H new ATOM 1542 N SER A 103 36.592 -37.910 -78.657 1.00 24.52 N ATOM 1543 CA SER A 103 37.576 -37.095 -79.359 1.00 3.31 C ATOM 1544 C SER A 103 38.345 -37.929 -80.380 1.00 15.34 C ATOM 1545 O SER A 103 38.058 -37.884 -81.576 1.00 43.52 O ATOM 1546 CB SER A 103 38.551 -36.463 -78.363 1.00 35.04 C ATOM 1547 OG SER A 103 39.091 -37.439 -77.489 1.00 63.23 O ATOM 0 H SER A 103 36.919 -38.843 -78.407 1.00 24.52 H new ATOM 0 HA SER A 103 37.044 -36.304 -79.888 1.00 3.31 H new ATOM 0 HB2 SER A 103 39.358 -35.968 -78.903 1.00 35.04 H new ATOM 0 HB3 SER A 103 38.038 -35.696 -77.784 1.00 35.04 H new ATOM 0 HG SER A 103 38.925 -37.174 -76.560 1.00 63.23 H new ATOM 1553 N ASP A 104 39.321 -38.689 -79.898 1.00 23.23 N ATOM 1554 CA ASP A 104 40.131 -39.535 -80.767 1.00 23.03 C ATOM 1555 C ASP A 104 39.386 -40.816 -81.126 1.00 72.44 C ATOM 1556 O ASP A 104 39.675 -41.450 -82.141 1.00 4.31 O ATOM 1557 CB ASP A 104 41.459 -39.876 -80.089 1.00 21.15 C ATOM 1558 CG ASP A 104 42.345 -40.749 -80.956 1.00 10.40 C ATOM 1559 OD1 ASP A 104 42.016 -41.941 -81.130 1.00 51.24 O ATOM 1560 OD2 ASP A 104 43.367 -40.239 -81.461 1.00 52.02 O ATOM 0 H ASP A 104 39.571 -38.737 -78.910 1.00 23.23 H new ATOM 0 HA ASP A 104 40.332 -38.983 -81.685 1.00 23.03 H new ATOM 0 HB2 ASP A 104 41.987 -38.954 -79.847 1.00 21.15 H new ATOM 0 HB3 ASP A 104 41.262 -40.387 -79.146 1.00 21.15 H new ATOM 1565 N GLU A 105 38.426 -41.192 -80.287 1.00 53.01 N ATOM 1566 CA GLU A 105 37.640 -42.399 -80.517 1.00 25.13 C ATOM 1567 C GLU A 105 37.029 -42.393 -81.915 1.00 11.43 C ATOM 1568 O GLU A 105 36.994 -43.419 -82.594 1.00 12.01 O ATOM 1569 CB GLU A 105 36.536 -42.523 -79.465 1.00 73.24 C ATOM 1570 CG GLU A 105 35.309 -43.274 -79.957 1.00 5.03 C ATOM 1571 CD GLU A 105 34.314 -42.370 -80.659 1.00 25.34 C ATOM 1572 OE1 GLU A 105 34.117 -41.229 -80.192 1.00 33.10 O ATOM 1573 OE2 GLU A 105 33.734 -42.805 -81.675 1.00 74.02 O ATOM 0 H GLU A 105 38.174 -40.679 -79.442 1.00 53.01 H new ATOM 0 HA GLU A 105 38.307 -43.257 -80.436 1.00 25.13 H new ATOM 0 HB2 GLU A 105 36.936 -43.032 -78.588 1.00 73.24 H new ATOM 0 HB3 GLU A 105 36.237 -41.525 -79.145 1.00 73.24 H new ATOM 0 HG2 GLU A 105 35.621 -44.064 -80.640 1.00 5.03 H new ATOM 0 HG3 GLU A 105 34.821 -43.758 -79.111 1.00 5.03 H new ATOM 1580 N PHE A 106 36.547 -41.229 -82.338 1.00 43.31 N ATOM 1581 CA PHE A 106 35.935 -41.088 -83.654 1.00 44.32 C ATOM 1582 C PHE A 106 36.880 -41.577 -84.748 1.00 51.23 C ATOM 1583 O PHE A 106 36.442 -42.012 -85.814 1.00 24.44 O ATOM 1584 CB PHE A 106 35.554 -39.628 -83.909 1.00 50.00 C ATOM 1585 CG PHE A 106 36.373 -38.973 -84.984 1.00 61.33 C ATOM 1586 CD1 PHE A 106 37.656 -38.523 -84.719 1.00 24.31 C ATOM 1587 CD2 PHE A 106 35.860 -38.807 -86.261 1.00 34.35 C ATOM 1588 CE1 PHE A 106 38.413 -37.921 -85.706 1.00 41.22 C ATOM 1589 CE2 PHE A 106 36.612 -38.206 -87.252 1.00 13.01 C ATOM 1590 CZ PHE A 106 37.889 -37.761 -86.974 1.00 65.01 C ATOM 0 H PHE A 106 36.568 -40.370 -81.789 1.00 43.31 H new ATOM 0 HA PHE A 106 35.034 -41.701 -83.676 1.00 44.32 H new ATOM 0 HB2 PHE A 106 34.501 -39.579 -84.185 1.00 50.00 H new ATOM 0 HB3 PHE A 106 35.667 -39.064 -82.983 1.00 50.00 H new ATOM 0 HD1 PHE A 106 38.070 -38.644 -83.729 1.00 24.31 H new ATOM 0 HD2 PHE A 106 34.861 -39.151 -86.484 1.00 34.35 H new ATOM 0 HE1 PHE A 106 39.413 -37.576 -85.486 1.00 41.22 H new ATOM 0 HE2 PHE A 106 36.201 -38.084 -88.243 1.00 13.01 H new ATOM 0 HZ PHE A 106 38.477 -37.289 -87.747 1.00 65.01 H new ATOM 1600 N LYS A 107 38.179 -41.501 -84.478 1.00 15.01 N ATOM 1601 CA LYS A 107 39.187 -41.936 -85.437 1.00 10.20 C ATOM 1602 C LYS A 107 39.196 -43.456 -85.566 1.00 11.42 C ATOM 1603 O LYS A 107 39.516 -43.996 -86.624 1.00 23.33 O ATOM 1604 CB LYS A 107 40.571 -41.441 -85.012 1.00 25.20 C ATOM 1605 CG LYS A 107 41.680 -41.840 -85.970 1.00 43.34 C ATOM 1606 CD LYS A 107 42.338 -40.623 -86.599 1.00 51.23 C ATOM 1607 CE LYS A 107 43.689 -40.330 -85.966 1.00 45.01 C ATOM 1608 NZ LYS A 107 44.815 -40.806 -86.817 1.00 3.13 N ATOM 0 H LYS A 107 38.558 -41.142 -83.602 1.00 15.01 H new ATOM 0 HA LYS A 107 38.937 -41.509 -86.408 1.00 10.20 H new ATOM 0 HB2 LYS A 107 40.549 -40.355 -84.927 1.00 25.20 H new ATOM 0 HB3 LYS A 107 40.800 -41.833 -84.021 1.00 25.20 H new ATOM 0 HG2 LYS A 107 42.429 -42.425 -85.437 1.00 43.34 H new ATOM 0 HG3 LYS A 107 41.273 -42.480 -86.753 1.00 43.34 H new ATOM 0 HD2 LYS A 107 42.465 -40.789 -87.669 1.00 51.23 H new ATOM 0 HD3 LYS A 107 41.686 -39.757 -86.486 1.00 51.23 H new ATOM 0 HE2 LYS A 107 43.787 -39.257 -85.800 1.00 45.01 H new ATOM 0 HE3 LYS A 107 43.744 -40.810 -84.989 1.00 45.01 H new ATOM 0 HZ1 LYS A 107 45.719 -40.588 -86.351 1.00 3.13 H new ATOM 0 HZ2 LYS A 107 44.736 -41.834 -86.955 1.00 3.13 H new ATOM 0 HZ3 LYS A 107 44.778 -40.329 -87.741 1.00 3.13 H new ATOM 1622 N ALA A 108 38.841 -44.139 -84.483 1.00 13.24 N ATOM 1623 CA ALA A 108 38.805 -45.596 -84.476 1.00 55.02 C ATOM 1624 C ALA A 108 37.609 -46.119 -85.265 1.00 13.12 C ATOM 1625 O ALA A 108 37.740 -47.034 -86.077 1.00 3.23 O ATOM 1626 CB ALA A 108 38.765 -46.117 -83.047 1.00 43.31 C ATOM 0 H ALA A 108 38.574 -43.706 -83.599 1.00 13.24 H new ATOM 0 HA ALA A 108 39.713 -45.959 -84.958 1.00 55.02 H new ATOM 0 HB1 ALA A 108 38.738 -47.207 -83.058 1.00 43.31 H new ATOM 0 HB2 ALA A 108 39.653 -45.781 -82.512 1.00 43.31 H new ATOM 0 HB3 ALA A 108 37.875 -45.737 -82.546 1.00 43.31 H new ATOM 1632 N GLY A 109 36.441 -45.532 -85.019 1.00 41.15 N ATOM 1633 CA GLY A 109 35.239 -45.953 -85.714 1.00 53.03 C ATOM 1634 C GLY A 109 34.304 -46.749 -84.825 1.00 51.22 C ATOM 1635 O GLY A 109 33.188 -47.083 -85.226 1.00 62.22 O ATOM 0 H GLY A 109 36.306 -44.773 -84.351 1.00 41.15 H new ATOM 0 HA2 GLY A 109 34.716 -45.075 -86.093 1.00 53.03 H new ATOM 0 HA3 GLY A 109 35.515 -46.557 -86.578 1.00 53.03 H new ATOM 1639 N LEU A 110 34.759 -47.055 -83.615 1.00 52.03 N ATOM 1640 CA LEU A 110 33.956 -47.819 -82.667 1.00 13.34 C ATOM 1641 C LEU A 110 33.714 -47.019 -81.390 1.00 64.41 C ATOM 1642 O LEU A 110 34.577 -46.260 -80.948 1.00 42.11 O ATOM 1643 CB LEU A 110 34.648 -49.141 -82.331 1.00 13.12 C ATOM 1644 CG LEU A 110 36.176 -49.107 -82.290 1.00 31.23 C ATOM 1645 CD1 LEU A 110 36.745 -48.968 -83.693 1.00 73.12 C ATOM 1646 CD2 LEU A 110 36.661 -47.971 -81.401 1.00 34.22 C ATOM 0 H LEU A 110 35.679 -46.786 -83.267 1.00 52.03 H new ATOM 0 HA LEU A 110 32.992 -48.029 -83.131 1.00 13.34 H new ATOM 0 HB2 LEU A 110 34.286 -49.481 -81.361 1.00 13.12 H new ATOM 0 HB3 LEU A 110 34.341 -49.886 -83.065 1.00 13.12 H new ATOM 0 HG LEU A 110 36.530 -50.048 -81.868 1.00 31.23 H new ATOM 0 HD11 LEU A 110 37.834 -48.946 -83.644 1.00 73.12 H new ATOM 0 HD12 LEU A 110 36.427 -49.815 -84.300 1.00 73.12 H new ATOM 0 HD13 LEU A 110 36.383 -48.043 -84.142 1.00 73.12 H new ATOM 0 HD21 LEU A 110 37.751 -47.962 -81.384 1.00 34.22 H new ATOM 0 HD22 LEU A 110 36.297 -47.021 -81.793 1.00 34.22 H new ATOM 0 HD23 LEU A 110 36.283 -48.115 -80.389 1.00 34.22 H new ATOM 1658 N HIS A 111 32.536 -47.197 -80.800 1.00 64.04 N ATOM 1659 CA HIS A 111 32.182 -46.494 -79.572 1.00 64.32 C ATOM 1660 C HIS A 111 33.311 -46.586 -78.550 1.00 0.44 C ATOM 1661 O HIS A 111 34.207 -47.420 -78.673 1.00 3.30 O ATOM 1662 CB HIS A 111 30.896 -47.072 -78.982 1.00 13.20 C ATOM 1663 CG HIS A 111 29.936 -46.027 -78.501 1.00 72.43 C ATOM 1664 ND1 HIS A 111 29.106 -45.322 -79.347 1.00 34.04 N ATOM 1665 CD2 HIS A 111 29.675 -45.571 -77.254 1.00 24.33 C ATOM 1666 CE1 HIS A 111 28.377 -44.476 -78.640 1.00 64.01 C ATOM 1667 NE2 HIS A 111 28.704 -44.608 -77.367 1.00 54.20 N ATOM 0 H HIS A 111 31.811 -47.822 -81.152 1.00 64.04 H new ATOM 0 HA HIS A 111 32.021 -45.444 -79.816 1.00 64.32 H new ATOM 0 HB2 HIS A 111 30.404 -47.686 -79.736 1.00 13.20 H new ATOM 0 HB3 HIS A 111 31.151 -47.730 -78.151 1.00 13.20 H new ATOM 0 HD2 HIS A 111 30.144 -45.903 -76.340 1.00 24.33 H new ATOM 0 HE1 HIS A 111 27.640 -43.793 -79.036 1.00 64.01 H new ATOM 0 HE2 HIS A 111 28.300 -44.080 -76.593 1.00 54.20 H new ATOM 1675 N ALA A 112 33.260 -45.722 -77.541 1.00 3.31 N ATOM 1676 CA ALA A 112 34.277 -45.706 -76.497 1.00 23.02 C ATOM 1677 C ALA A 112 33.641 -45.687 -75.111 1.00 61.40 C ATOM 1678 O ALA A 112 32.465 -45.353 -74.961 1.00 20.30 O ATOM 1679 CB ALA A 112 35.197 -44.507 -76.674 1.00 12.23 C ATOM 0 H ALA A 112 32.525 -45.024 -77.425 1.00 3.31 H new ATOM 0 HA ALA A 112 34.867 -46.618 -76.585 1.00 23.02 H new ATOM 0 HB1 ALA A 112 35.951 -44.508 -75.887 1.00 12.23 H new ATOM 0 HB2 ALA A 112 35.686 -44.564 -77.646 1.00 12.23 H new ATOM 0 HB3 ALA A 112 34.613 -43.589 -76.615 1.00 12.23 H new ATOM 1685 N LEU A 113 34.424 -46.049 -74.101 1.00 4.42 N ATOM 1686 CA LEU A 113 33.937 -46.074 -72.726 1.00 61.00 C ATOM 1687 C LEU A 113 34.874 -45.302 -71.802 1.00 35.10 C ATOM 1688 O LEU A 113 36.083 -45.529 -71.797 1.00 40.04 O ATOM 1689 CB LEU A 113 33.798 -47.518 -72.240 1.00 4.21 C ATOM 1690 CG LEU A 113 34.965 -48.451 -72.567 1.00 12.05 C ATOM 1691 CD1 LEU A 113 35.638 -48.932 -71.290 1.00 54.51 C ATOM 1692 CD2 LEU A 113 34.486 -49.633 -73.397 1.00 12.03 C ATOM 0 H LEU A 113 35.399 -46.329 -74.208 1.00 4.42 H new ATOM 0 HA LEU A 113 32.959 -45.594 -72.704 1.00 61.00 H new ATOM 0 HB2 LEU A 113 33.661 -47.505 -71.159 1.00 4.21 H new ATOM 0 HB3 LEU A 113 32.890 -47.940 -72.671 1.00 4.21 H new ATOM 0 HG LEU A 113 35.697 -47.895 -73.152 1.00 12.05 H new ATOM 0 HD11 LEU A 113 36.466 -49.595 -71.542 1.00 54.51 H new ATOM 0 HD12 LEU A 113 36.016 -48.075 -70.733 1.00 54.51 H new ATOM 0 HD13 LEU A 113 34.915 -49.472 -70.679 1.00 54.51 H new ATOM 0 HD21 LEU A 113 35.329 -50.286 -73.620 1.00 12.03 H new ATOM 0 HD22 LEU A 113 33.734 -50.190 -72.838 1.00 12.03 H new ATOM 0 HD23 LEU A 113 34.051 -49.271 -74.328 1.00 12.03 H new ATOM 1704 N ALA A 114 34.305 -44.391 -71.019 1.00 43.54 N ATOM 1705 CA ALA A 114 35.089 -43.588 -70.088 1.00 35.30 C ATOM 1706 C ALA A 114 34.464 -43.597 -68.697 1.00 3.33 C ATOM 1707 O ALA A 114 33.311 -43.204 -68.521 1.00 44.32 O ATOM 1708 CB ALA A 114 35.220 -42.162 -70.601 1.00 52.10 C ATOM 0 H ALA A 114 33.305 -44.191 -71.011 1.00 43.54 H new ATOM 0 HA ALA A 114 36.084 -44.028 -70.015 1.00 35.30 H new ATOM 0 HB1 ALA A 114 35.808 -41.574 -69.896 1.00 52.10 H new ATOM 0 HB2 ALA A 114 35.717 -42.168 -71.571 1.00 52.10 H new ATOM 0 HB3 ALA A 114 34.229 -41.720 -70.704 1.00 52.10 H new ATOM 1714 N MET A 115 35.233 -44.048 -67.711 1.00 1.20 N ATOM 1715 CA MET A 115 34.754 -44.107 -66.335 1.00 4.43 C ATOM 1716 C MET A 115 35.619 -43.243 -65.421 1.00 74.22 C ATOM 1717 O MET A 115 36.823 -43.467 -65.294 1.00 32.42 O ATOM 1718 CB MET A 115 34.750 -45.553 -65.835 1.00 42.40 C ATOM 1719 CG MET A 115 36.026 -46.312 -66.161 1.00 0.11 C ATOM 1720 SD MET A 115 36.141 -47.885 -65.287 1.00 14.10 S ATOM 1721 CE MET A 115 34.952 -48.866 -66.199 1.00 33.22 C ATOM 0 H MET A 115 36.190 -44.378 -67.839 1.00 1.20 H new ATOM 0 HA MET A 115 33.735 -43.720 -66.314 1.00 4.43 H new ATOM 0 HB2 MET A 115 34.602 -45.555 -64.755 1.00 42.40 H new ATOM 0 HB3 MET A 115 33.902 -46.078 -66.274 1.00 42.40 H new ATOM 0 HG2 MET A 115 36.072 -46.493 -67.235 1.00 0.11 H new ATOM 0 HG3 MET A 115 36.887 -45.695 -65.905 1.00 0.11 H new ATOM 0 HE1 MET A 115 34.908 -49.870 -65.777 1.00 33.22 H new ATOM 0 HE2 MET A 115 33.969 -48.401 -66.132 1.00 33.22 H new ATOM 0 HE3 MET A 115 35.255 -48.925 -67.244 1.00 33.22 H new ATOM 1731 N THR A 116 34.997 -42.254 -64.787 1.00 33.24 N ATOM 1732 CA THR A 116 35.709 -41.356 -63.886 1.00 61.43 C ATOM 1733 C THR A 116 35.370 -41.654 -62.430 1.00 74.54 C ATOM 1734 O THR A 116 34.199 -41.683 -62.048 1.00 4.04 O ATOM 1735 CB THR A 116 35.380 -39.882 -64.187 1.00 11.12 C ATOM 1736 OG1 THR A 116 36.000 -39.033 -63.214 1.00 62.52 O ATOM 1737 CG2 THR A 116 33.876 -39.651 -64.183 1.00 63.51 C ATOM 0 H THR A 116 34.001 -42.055 -64.881 1.00 33.24 H new ATOM 0 HA THR A 116 36.774 -41.524 -64.049 1.00 61.43 H new ATOM 0 HB THR A 116 35.766 -39.642 -65.178 1.00 11.12 H new ATOM 0 HG1 THR A 116 35.429 -38.974 -62.420 1.00 62.52 H new ATOM 0 HG21 THR A 116 33.668 -38.603 -64.398 1.00 63.51 H new ATOM 0 HG22 THR A 116 33.410 -40.277 -64.944 1.00 63.51 H new ATOM 0 HG23 THR A 116 33.471 -39.908 -63.204 1.00 63.51 H new ATOM 1745 N THR A 117 36.400 -41.876 -61.621 1.00 4.05 N ATOM 1746 CA THR A 117 36.211 -42.172 -60.206 1.00 62.42 C ATOM 1747 C THR A 117 36.917 -41.144 -59.330 1.00 21.23 C ATOM 1748 O THR A 117 38.146 -41.109 -59.263 1.00 10.23 O ATOM 1749 CB THR A 117 36.734 -43.577 -59.852 1.00 32.41 C ATOM 1750 OG1 THR A 117 37.030 -43.652 -58.453 1.00 1.41 O ATOM 1751 CG2 THR A 117 37.980 -43.910 -60.658 1.00 23.32 C ATOM 0 H THR A 117 37.375 -41.857 -61.921 1.00 4.05 H new ATOM 0 HA THR A 117 35.139 -42.132 -60.015 1.00 62.42 H new ATOM 0 HB THR A 117 35.958 -44.302 -60.098 1.00 32.41 H new ATOM 0 HG1 THR A 117 37.360 -44.549 -58.236 1.00 1.41 H new ATOM 0 HG21 THR A 117 38.331 -44.907 -60.391 1.00 23.32 H new ATOM 0 HG22 THR A 117 37.744 -43.882 -61.722 1.00 23.32 H new ATOM 0 HG23 THR A 117 38.760 -43.180 -60.440 1.00 23.32 H new ATOM 1759 N LYS A 118 36.133 -40.308 -58.658 1.00 33.32 N ATOM 1760 CA LYS A 118 36.682 -39.279 -57.783 1.00 31.43 C ATOM 1761 C LYS A 118 35.864 -39.163 -56.500 1.00 44.22 C ATOM 1762 O LYS A 118 34.656 -39.403 -56.497 1.00 45.10 O ATOM 1763 CB LYS A 118 36.713 -37.930 -58.505 1.00 22.44 C ATOM 1764 CG LYS A 118 37.326 -36.813 -57.679 1.00 2.33 C ATOM 1765 CD LYS A 118 36.282 -35.790 -57.262 1.00 63.21 C ATOM 1766 CE LYS A 118 36.633 -35.147 -55.929 1.00 70.02 C ATOM 1767 NZ LYS A 118 37.131 -33.754 -56.099 1.00 64.15 N ATOM 0 H LYS A 118 35.114 -40.323 -58.703 1.00 33.32 H new ATOM 0 HA LYS A 118 37.700 -39.566 -57.519 1.00 31.43 H new ATOM 0 HB2 LYS A 118 37.276 -38.036 -59.432 1.00 22.44 H new ATOM 0 HB3 LYS A 118 35.696 -37.651 -58.780 1.00 22.44 H new ATOM 0 HG2 LYS A 118 37.800 -37.233 -56.792 1.00 2.33 H new ATOM 0 HG3 LYS A 118 38.109 -36.321 -58.255 1.00 2.33 H new ATOM 0 HD2 LYS A 118 36.200 -35.019 -58.028 1.00 63.21 H new ATOM 0 HD3 LYS A 118 35.307 -36.272 -57.189 1.00 63.21 H new ATOM 0 HE2 LYS A 118 35.753 -35.142 -55.285 1.00 70.02 H new ATOM 0 HE3 LYS A 118 37.393 -35.745 -55.426 1.00 70.02 H new ATOM 0 HZ1 LYS A 118 37.359 -33.351 -55.168 1.00 64.15 H new ATOM 0 HZ2 LYS A 118 37.985 -33.761 -56.692 1.00 64.15 H new ATOM 0 HZ3 LYS A 118 36.397 -33.176 -56.556 1.00 64.15 H new ATOM 1781 N THR A 119 36.530 -38.791 -55.411 1.00 60.10 N ATOM 1782 CA THR A 119 35.865 -38.642 -54.123 1.00 23.24 C ATOM 1783 C THR A 119 34.610 -37.786 -54.247 1.00 60.23 C ATOM 1784 O THR A 119 34.444 -37.019 -55.196 1.00 5.23 O ATOM 1785 CB THR A 119 36.803 -38.009 -53.077 1.00 35.53 C ATOM 1786 OG1 THR A 119 37.794 -37.207 -53.728 1.00 74.55 O ATOM 1787 CG2 THR A 119 37.482 -39.083 -52.239 1.00 54.42 C ATOM 0 H THR A 119 37.529 -38.588 -55.396 1.00 60.10 H new ATOM 0 HA THR A 119 35.587 -39.643 -53.793 1.00 23.24 H new ATOM 0 HB THR A 119 36.204 -37.380 -52.418 1.00 35.53 H new ATOM 0 HG1 THR A 119 37.730 -36.283 -53.407 1.00 74.55 H new ATOM 0 HG21 THR A 119 38.139 -38.613 -51.508 1.00 54.42 H new ATOM 0 HG22 THR A 119 36.726 -39.673 -51.721 1.00 54.42 H new ATOM 0 HG23 THR A 119 38.068 -39.734 -52.888 1.00 54.42 H new