USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=16 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 Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -92:sc= 0.41 USER MOD Single : A 39 LYS NZ :NH3+ 141:sc= 0.847 (180deg=-0.348) USER MOD Single : A 45 SER OG : rot 180:sc= -0.379 USER MOD Single : A 47 THR OG1 : rot 180:sc= -1.47 USER MOD Single : A 48 HIS : no HD1:sc= -0.0163 X(o=-0.016,f=-0.16) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -1.22 X(o=-1.2,f=-1.2) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -0.288 X(o=-0.29,f=0) USER MOD Single : A 75 THR OG1 : rot 110:sc= -0.774 USER MOD Single : A 76 HIS : no HE2:sc= -1.56 K(o=-1.6,f=-3.6!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -41:sc= -0.445! USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot -57:sc= 1.05 USER MOD Single : A 93 LYS NZ :NH3+ -121:sc= -2.14! (180deg=-5.15!) USER MOD Single : A 95 HIS : no HD1:sc= -0.0825 X(o=-0.083,f=-0.43) 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 -120:sc= 0.353 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 -88:sc= -1.46 USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.0528 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0.0261 USER MOD ----------------------------------------------------------------- ATOM 471 N ALA A 33 41.490 -34.787 -74.650 1.00 61.41 N ATOM 472 CA ALA A 33 40.039 -34.654 -74.638 1.00 13.45 C ATOM 473 C ALA A 33 39.523 -34.396 -73.226 1.00 4.53 C ATOM 474 O ALA A 33 40.271 -34.496 -72.254 1.00 34.34 O ATOM 475 CB ALA A 33 39.389 -35.900 -75.219 1.00 73.31 C ATOM 0 HA ALA A 33 39.773 -33.797 -75.257 1.00 13.45 H new ATOM 0 HB1 ALA A 33 38.305 -35.786 -75.203 1.00 73.31 H new ATOM 0 HB2 ALA A 33 39.724 -36.040 -76.247 1.00 73.31 H new ATOM 0 HB3 ALA A 33 39.671 -36.769 -74.624 1.00 73.31 H new ATOM 481 N GLY A 34 38.241 -34.061 -73.121 1.00 33.25 N ATOM 482 CA GLY A 34 37.648 -33.793 -71.823 1.00 70.03 C ATOM 483 C GLY A 34 37.886 -34.916 -70.834 1.00 22.23 C ATOM 484 O GLY A 34 38.108 -34.671 -69.648 1.00 74.32 O ATOM 0 H GLY A 34 37.602 -33.970 -73.911 1.00 33.25 H new ATOM 0 HA2 GLY A 34 38.061 -32.867 -71.423 1.00 70.03 H new ATOM 0 HA3 GLY A 34 36.576 -33.639 -71.942 1.00 70.03 H new ATOM 488 N ALA A 35 37.839 -36.152 -71.321 1.00 1.23 N ATOM 489 CA ALA A 35 38.052 -37.317 -70.471 1.00 12.43 C ATOM 490 C ALA A 35 39.436 -37.284 -69.831 1.00 71.23 C ATOM 491 O ALA A 35 39.652 -37.864 -68.767 1.00 33.32 O ATOM 492 CB ALA A 35 37.869 -38.596 -71.273 1.00 70.23 C ATOM 0 H ALA A 35 37.655 -36.372 -72.300 1.00 1.23 H new ATOM 0 HA ALA A 35 37.311 -37.294 -69.672 1.00 12.43 H new ATOM 0 HB1 ALA A 35 38.031 -39.458 -70.626 1.00 70.23 H new ATOM 0 HB2 ALA A 35 36.857 -38.631 -71.677 1.00 70.23 H new ATOM 0 HB3 ALA A 35 38.587 -38.618 -72.092 1.00 70.23 H new ATOM 498 N ILE A 36 40.370 -36.604 -70.487 1.00 53.33 N ATOM 499 CA ILE A 36 41.733 -36.496 -69.982 1.00 34.12 C ATOM 500 C ILE A 36 41.745 -36.026 -68.531 1.00 44.23 C ATOM 501 O ILE A 36 42.625 -36.397 -67.754 1.00 71.30 O ATOM 502 CB ILE A 36 42.573 -35.525 -70.832 1.00 24.40 C ATOM 503 CG1 ILE A 36 44.055 -35.899 -70.756 1.00 62.03 C ATOM 504 CG2 ILE A 36 42.358 -34.093 -70.368 1.00 4.40 C ATOM 505 CD1 ILE A 36 44.691 -36.126 -72.110 1.00 31.30 C ATOM 0 H ILE A 36 40.208 -36.119 -71.370 1.00 53.33 H new ATOM 0 HA ILE A 36 42.173 -37.492 -70.043 1.00 34.12 H new ATOM 0 HB ILE A 36 42.251 -35.601 -71.870 1.00 24.40 H new ATOM 0 HG12 ILE A 36 44.595 -35.107 -70.238 1.00 62.03 H new ATOM 0 HG13 ILE A 36 44.163 -36.803 -70.157 1.00 62.03 H new ATOM 0 HG21 ILE A 36 42.959 -33.419 -70.979 1.00 4.40 H new ATOM 0 HG22 ILE A 36 41.304 -33.832 -70.468 1.00 4.40 H new ATOM 0 HG23 ILE A 36 42.657 -34.000 -69.324 1.00 4.40 H new ATOM 0 HD11 ILE A 36 45.741 -36.387 -71.980 1.00 31.30 H new ATOM 0 HD12 ILE A 36 44.176 -36.939 -72.622 1.00 31.30 H new ATOM 0 HD13 ILE A 36 44.615 -35.216 -72.705 1.00 31.30 H new ATOM 517 N LYS A 37 40.763 -35.207 -68.172 1.00 53.10 N ATOM 518 CA LYS A 37 40.657 -34.687 -66.814 1.00 4.01 C ATOM 519 C LYS A 37 40.364 -35.809 -65.823 1.00 53.11 C ATOM 520 O LYS A 37 40.874 -35.810 -64.703 1.00 1.11 O ATOM 521 CB LYS A 37 39.560 -33.624 -66.737 1.00 14.44 C ATOM 522 CG LYS A 37 40.068 -32.253 -66.323 1.00 30.54 C ATOM 523 CD LYS A 37 40.193 -32.138 -64.813 1.00 24.03 C ATOM 524 CE LYS A 37 40.066 -30.694 -64.352 1.00 34.35 C ATOM 525 NZ LYS A 37 38.649 -30.320 -64.087 1.00 12.11 N ATOM 0 H LYS A 37 40.028 -34.888 -68.803 1.00 53.10 H new ATOM 0 HA LYS A 37 41.612 -34.233 -66.550 1.00 4.01 H new ATOM 0 HB2 LYS A 37 39.075 -33.544 -67.710 1.00 14.44 H new ATOM 0 HB3 LYS A 37 38.799 -33.950 -66.027 1.00 14.44 H new ATOM 0 HG2 LYS A 37 41.038 -32.069 -66.785 1.00 30.54 H new ATOM 0 HG3 LYS A 37 39.388 -31.485 -66.692 1.00 30.54 H new ATOM 0 HD2 LYS A 37 39.422 -32.743 -64.336 1.00 24.03 H new ATOM 0 HD3 LYS A 37 41.155 -32.539 -64.495 1.00 24.03 H new ATOM 0 HE2 LYS A 37 40.656 -30.548 -63.447 1.00 34.35 H new ATOM 0 HE3 LYS A 37 40.480 -30.032 -65.112 1.00 34.35 H new ATOM 0 HZ1 LYS A 37 38.604 -29.329 -63.775 1.00 12.11 H new ATOM 0 HZ2 LYS A 37 38.091 -30.435 -64.957 1.00 12.11 H new ATOM 0 HZ3 LYS A 37 38.261 -30.935 -63.343 1.00 12.11 H new ATOM 539 N SER A 38 39.539 -36.763 -66.244 1.00 24.04 N ATOM 540 CA SER A 38 39.176 -37.890 -65.392 1.00 3.40 C ATOM 541 C SER A 38 40.395 -38.756 -65.088 1.00 0.31 C ATOM 542 O SER A 38 40.647 -39.111 -63.937 1.00 25.34 O ATOM 543 CB SER A 38 38.091 -38.734 -66.062 1.00 71.04 C ATOM 544 OG SER A 38 36.850 -38.050 -66.079 1.00 1.21 O ATOM 0 H SER A 38 39.110 -36.778 -67.169 1.00 24.04 H new ATOM 0 HA SER A 38 38.790 -37.494 -64.453 1.00 3.40 H new ATOM 0 HB2 SER A 38 38.391 -38.975 -67.082 1.00 71.04 H new ATOM 0 HB3 SER A 38 37.981 -39.679 -65.531 1.00 71.04 H new ATOM 0 HG SER A 38 36.335 -38.287 -65.280 1.00 1.21 H new ATOM 550 N LYS A 39 41.148 -39.092 -66.129 1.00 65.14 N ATOM 551 CA LYS A 39 42.342 -39.915 -65.977 1.00 21.43 C ATOM 552 C LYS A 39 43.392 -39.200 -65.132 1.00 70.23 C ATOM 553 O LYS A 39 44.162 -39.836 -64.412 1.00 43.43 O ATOM 554 CB LYS A 39 42.926 -40.263 -67.348 1.00 73.20 C ATOM 555 CG LYS A 39 43.371 -39.049 -68.145 1.00 73.43 C ATOM 556 CD LYS A 39 44.178 -39.451 -69.368 1.00 41.13 C ATOM 557 CE LYS A 39 45.608 -38.940 -69.284 1.00 64.42 C ATOM 558 NZ LYS A 39 46.585 -39.938 -69.804 1.00 13.41 N ATOM 0 H LYS A 39 40.953 -38.807 -67.089 1.00 65.14 H new ATOM 0 HA LYS A 39 42.055 -40.835 -65.467 1.00 21.43 H new ATOM 0 HB2 LYS A 39 43.777 -40.930 -67.212 1.00 73.20 H new ATOM 0 HB3 LYS A 39 42.180 -40.811 -67.923 1.00 73.20 H new ATOM 0 HG2 LYS A 39 42.497 -38.477 -68.456 1.00 73.43 H new ATOM 0 HG3 LYS A 39 43.970 -38.396 -67.511 1.00 73.43 H new ATOM 0 HD2 LYS A 39 44.183 -40.537 -69.461 1.00 41.13 H new ATOM 0 HD3 LYS A 39 43.702 -39.057 -70.266 1.00 41.13 H new ATOM 0 HE2 LYS A 39 45.697 -38.014 -69.853 1.00 64.42 H new ATOM 0 HE3 LYS A 39 45.848 -38.702 -68.248 1.00 64.42 H new ATOM 0 HZ1 LYS A 39 47.331 -39.448 -70.338 1.00 13.41 H new ATOM 0 HZ2 LYS A 39 47.011 -40.454 -69.008 1.00 13.41 H new ATOM 0 HZ3 LYS A 39 46.096 -40.610 -70.429 1.00 13.41 H new ATOM 572 N VAL A 40 43.416 -37.874 -65.224 1.00 61.33 N ATOM 573 CA VAL A 40 44.370 -37.073 -64.467 1.00 14.42 C ATOM 574 C VAL A 40 44.186 -37.272 -62.967 1.00 14.14 C ATOM 575 O VAL A 40 45.159 -37.394 -62.223 1.00 74.23 O ATOM 576 CB VAL A 40 44.229 -35.574 -64.795 1.00 64.45 C ATOM 577 CG1 VAL A 40 44.962 -34.730 -63.764 1.00 23.30 C ATOM 578 CG2 VAL A 40 44.746 -35.286 -66.197 1.00 23.21 C ATOM 0 H VAL A 40 42.786 -37.332 -65.815 1.00 61.33 H new ATOM 0 HA VAL A 40 45.366 -37.409 -64.756 1.00 14.42 H new ATOM 0 HB VAL A 40 43.172 -35.310 -64.760 1.00 64.45 H new ATOM 0 HG11 VAL A 40 44.851 -33.675 -64.012 1.00 23.30 H new ATOM 0 HG12 VAL A 40 44.541 -34.916 -62.776 1.00 23.30 H new ATOM 0 HG13 VAL A 40 46.020 -34.993 -63.764 1.00 23.30 H new ATOM 0 HG21 VAL A 40 44.639 -34.223 -66.413 1.00 23.21 H new ATOM 0 HG22 VAL A 40 45.798 -35.566 -66.262 1.00 23.21 H new ATOM 0 HG23 VAL A 40 44.172 -35.863 -66.922 1.00 23.21 H new ATOM 588 N GLU A 41 42.931 -37.304 -62.529 1.00 12.02 N ATOM 589 CA GLU A 41 42.620 -37.488 -61.116 1.00 72.32 C ATOM 590 C GLU A 41 43.237 -38.780 -60.587 1.00 45.51 C ATOM 591 O GLU A 41 43.646 -38.855 -59.429 1.00 24.31 O ATOM 592 CB GLU A 41 41.105 -37.510 -60.903 1.00 73.33 C ATOM 593 CG GLU A 41 40.370 -36.406 -61.645 1.00 31.05 C ATOM 594 CD GLU A 41 41.095 -35.076 -61.577 1.00 53.24 C ATOM 595 OE1 GLU A 41 41.697 -34.782 -60.523 1.00 40.35 O ATOM 596 OE2 GLU A 41 41.060 -34.329 -62.578 1.00 33.24 O ATOM 0 H GLU A 41 42.114 -37.205 -63.132 1.00 12.02 H new ATOM 0 HA GLU A 41 43.045 -36.649 -60.565 1.00 72.32 H new ATOM 0 HB2 GLU A 41 40.715 -38.475 -61.226 1.00 73.33 H new ATOM 0 HB3 GLU A 41 40.895 -37.422 -59.837 1.00 73.33 H new ATOM 0 HG2 GLU A 41 40.246 -36.695 -62.689 1.00 31.05 H new ATOM 0 HG3 GLU A 41 39.371 -36.293 -61.224 1.00 31.05 H new ATOM 603 N ALA A 42 43.301 -39.793 -61.445 1.00 12.15 N ATOM 604 CA ALA A 42 43.869 -41.080 -61.065 1.00 22.30 C ATOM 605 C ALA A 42 45.381 -40.983 -60.892 1.00 62.31 C ATOM 606 O ALA A 42 45.996 -41.826 -60.240 1.00 22.23 O ATOM 607 CB ALA A 42 43.521 -42.137 -62.103 1.00 25.44 C ATOM 0 H ALA A 42 42.967 -39.747 -62.407 1.00 12.15 H new ATOM 0 HA ALA A 42 43.438 -41.371 -60.107 1.00 22.30 H new ATOM 0 HB1 ALA A 42 43.952 -43.094 -61.807 1.00 25.44 H new ATOM 0 HB2 ALA A 42 42.438 -42.233 -62.175 1.00 25.44 H new ATOM 0 HB3 ALA A 42 43.924 -41.842 -63.072 1.00 25.44 H new ATOM 613 N ALA A 43 45.974 -39.950 -61.482 1.00 24.44 N ATOM 614 CA ALA A 43 47.414 -39.743 -61.391 1.00 44.03 C ATOM 615 C ALA A 43 47.857 -39.589 -59.940 1.00 60.32 C ATOM 616 O ALA A 43 48.981 -39.944 -59.582 1.00 42.54 O ATOM 617 CB ALA A 43 47.824 -38.522 -62.202 1.00 74.21 C ATOM 0 H ALA A 43 45.480 -39.244 -62.028 1.00 24.44 H new ATOM 0 HA ALA A 43 47.909 -40.623 -61.803 1.00 44.03 H new ATOM 0 HB1 ALA A 43 48.902 -38.379 -62.125 1.00 74.21 H new ATOM 0 HB2 ALA A 43 47.551 -38.671 -63.247 1.00 74.21 H new ATOM 0 HB3 ALA A 43 47.313 -37.640 -61.816 1.00 74.21 H new ATOM 623 N LEU A 44 46.967 -39.059 -59.108 1.00 45.24 N ATOM 624 CA LEU A 44 47.267 -38.857 -57.695 1.00 32.52 C ATOM 625 C LEU A 44 47.589 -40.183 -57.012 1.00 53.02 C ATOM 626 O LEU A 44 48.215 -40.211 -55.953 1.00 34.04 O ATOM 627 CB LEU A 44 46.086 -38.183 -56.994 1.00 71.52 C ATOM 628 CG LEU A 44 45.953 -36.675 -57.204 1.00 2.42 C ATOM 629 CD1 LEU A 44 47.218 -35.960 -56.755 1.00 23.12 C ATOM 630 CD2 LEU A 44 45.652 -36.363 -58.663 1.00 31.34 C ATOM 0 H LEU A 44 46.032 -38.762 -59.387 1.00 45.24 H new ATOM 0 HA LEU A 44 48.142 -38.210 -57.623 1.00 32.52 H new ATOM 0 HB2 LEU A 44 45.167 -38.660 -57.335 1.00 71.52 H new ATOM 0 HB3 LEU A 44 46.167 -38.375 -55.924 1.00 71.52 H new ATOM 0 HG LEU A 44 45.122 -36.316 -56.598 1.00 2.42 H new ATOM 0 HD11 LEU A 44 47.105 -34.887 -56.912 1.00 23.12 H new ATOM 0 HD12 LEU A 44 47.390 -36.156 -55.697 1.00 23.12 H new ATOM 0 HD13 LEU A 44 48.067 -36.324 -57.334 1.00 23.12 H new ATOM 0 HD21 LEU A 44 45.561 -35.285 -58.793 1.00 31.34 H new ATOM 0 HD22 LEU A 44 46.462 -36.737 -59.290 1.00 31.34 H new ATOM 0 HD23 LEU A 44 44.718 -36.844 -58.953 1.00 31.34 H new ATOM 642 N SER A 45 47.158 -41.280 -57.628 1.00 3.42 N ATOM 643 CA SER A 45 47.399 -42.609 -57.079 1.00 3.13 C ATOM 644 C SER A 45 48.529 -43.309 -57.827 1.00 61.24 C ATOM 645 O SER A 45 48.928 -42.906 -58.920 1.00 75.14 O ATOM 646 CB SER A 45 46.125 -43.452 -57.151 1.00 31.22 C ATOM 647 OG SER A 45 45.626 -43.734 -55.855 1.00 31.13 O ATOM 0 H SER A 45 46.641 -41.274 -58.507 1.00 3.42 H new ATOM 0 HA SER A 45 47.693 -42.496 -56.035 1.00 3.13 H new ATOM 0 HB2 SER A 45 45.367 -42.923 -57.729 1.00 31.22 H new ATOM 0 HB3 SER A 45 46.332 -44.385 -57.675 1.00 31.22 H new ATOM 0 HG SER A 45 44.811 -44.273 -55.928 1.00 31.13 H new ATOM 653 N PRO A 46 49.059 -44.385 -57.226 1.00 10.42 N ATOM 654 CA PRO A 46 50.150 -45.165 -57.817 1.00 30.11 C ATOM 655 C PRO A 46 49.702 -45.951 -59.044 1.00 53.13 C ATOM 656 O PRO A 46 50.526 -46.444 -59.815 1.00 24.25 O ATOM 657 CB PRO A 46 50.555 -46.119 -56.690 1.00 11.30 C ATOM 658 CG PRO A 46 49.333 -46.251 -55.848 1.00 40.40 C ATOM 659 CD PRO A 46 48.633 -44.922 -55.922 1.00 43.34 C ATOM 0 HA PRO A 46 50.962 -44.528 -58.168 1.00 30.11 H new ATOM 0 HB2 PRO A 46 50.871 -47.085 -57.084 1.00 11.30 H new ATOM 0 HB3 PRO A 46 51.391 -45.720 -56.115 1.00 11.30 H new ATOM 0 HG2 PRO A 46 48.691 -47.051 -56.215 1.00 40.40 H new ATOM 0 HG3 PRO A 46 49.593 -46.498 -54.819 1.00 40.40 H new ATOM 0 HD2 PRO A 46 47.550 -45.034 -55.868 1.00 43.34 H new ATOM 0 HD3 PRO A 46 48.927 -44.267 -55.102 1.00 43.34 H new ATOM 667 N THR A 47 48.389 -46.064 -59.222 1.00 60.12 N ATOM 668 CA THR A 47 47.831 -46.791 -60.356 1.00 1.53 C ATOM 669 C THR A 47 48.294 -46.187 -61.677 1.00 31.30 C ATOM 670 O THR A 47 49.104 -45.260 -61.698 1.00 14.33 O ATOM 671 CB THR A 47 46.291 -46.794 -60.318 1.00 22.44 C ATOM 672 OG1 THR A 47 45.779 -47.716 -61.286 1.00 65.44 O ATOM 673 CG2 THR A 47 45.740 -45.404 -60.593 1.00 14.41 C ATOM 0 H THR A 47 47.692 -45.661 -58.595 1.00 60.12 H new ATOM 0 HA THR A 47 48.191 -47.817 -60.282 1.00 1.53 H new ATOM 0 HB THR A 47 45.975 -47.102 -59.321 1.00 22.44 H new ATOM 0 HG1 THR A 47 44.800 -47.713 -61.254 1.00 65.44 H new ATOM 0 HG21 THR A 47 44.651 -45.431 -60.561 1.00 14.41 H new ATOM 0 HG22 THR A 47 46.108 -44.711 -59.837 1.00 14.41 H new ATOM 0 HG23 THR A 47 46.066 -45.072 -61.579 1.00 14.41 H new ATOM 681 N HIS A 48 47.775 -46.719 -62.779 1.00 54.01 N ATOM 682 CA HIS A 48 48.134 -46.231 -64.106 1.00 22.31 C ATOM 683 C HIS A 48 46.887 -45.921 -64.927 1.00 55.03 C ATOM 684 O HIS A 48 45.901 -46.657 -64.880 1.00 33.02 O ATOM 685 CB HIS A 48 48.996 -47.263 -64.835 1.00 52.42 C ATOM 686 CG HIS A 48 49.975 -46.656 -65.792 1.00 42.30 C ATOM 687 ND1 HIS A 48 50.907 -45.711 -65.417 1.00 53.41 N ATOM 688 CD2 HIS A 48 50.166 -46.865 -67.116 1.00 20.44 C ATOM 689 CE1 HIS A 48 51.627 -45.364 -66.469 1.00 30.01 C ATOM 690 NE2 HIS A 48 51.198 -46.051 -67.512 1.00 51.24 N ATOM 0 H HIS A 48 47.105 -47.488 -62.779 1.00 54.01 H new ATOM 0 HA HIS A 48 48.705 -45.311 -63.986 1.00 22.31 H new ATOM 0 HB2 HIS A 48 49.539 -47.855 -64.099 1.00 52.42 H new ATOM 0 HB3 HIS A 48 48.346 -47.948 -65.379 1.00 52.42 H new ATOM 0 HD2 HIS A 48 49.610 -47.545 -67.744 1.00 20.44 H new ATOM 0 HE1 HIS A 48 52.430 -44.642 -66.475 1.00 30.01 H new ATOM 0 HE2 HIS A 48 51.573 -45.987 -68.459 1.00 51.24 H new ATOM 698 N PHE A 49 46.936 -44.826 -65.679 1.00 61.43 N ATOM 699 CA PHE A 49 45.809 -44.418 -66.510 1.00 3.22 C ATOM 700 C PHE A 49 46.230 -44.284 -67.970 1.00 63.44 C ATOM 701 O PHE A 49 47.259 -43.683 -68.280 1.00 11.21 O ATOM 702 CB PHE A 49 45.235 -43.091 -66.010 1.00 13.23 C ATOM 703 CG PHE A 49 46.269 -42.015 -65.841 1.00 23.22 C ATOM 704 CD1 PHE A 49 47.051 -41.961 -64.698 1.00 51.40 C ATOM 705 CD2 PHE A 49 46.460 -41.058 -66.825 1.00 30.34 C ATOM 706 CE1 PHE A 49 48.004 -40.972 -64.540 1.00 22.45 C ATOM 707 CE2 PHE A 49 47.412 -40.068 -66.672 1.00 31.11 C ATOM 708 CZ PHE A 49 48.184 -40.024 -65.527 1.00 61.35 C ATOM 0 H PHE A 49 47.744 -44.205 -65.730 1.00 61.43 H new ATOM 0 HA PHE A 49 45.041 -45.188 -66.441 1.00 3.22 H new ATOM 0 HB2 PHE A 49 44.475 -42.746 -66.711 1.00 13.23 H new ATOM 0 HB3 PHE A 49 44.736 -43.257 -65.055 1.00 13.23 H new ATOM 0 HD1 PHE A 49 46.914 -42.700 -63.922 1.00 51.40 H new ATOM 0 HD2 PHE A 49 45.858 -41.086 -67.721 1.00 30.34 H new ATOM 0 HE1 PHE A 49 48.607 -40.941 -63.645 1.00 22.45 H new ATOM 0 HE2 PHE A 49 47.552 -39.329 -67.447 1.00 31.11 H new ATOM 0 HZ PHE A 49 48.927 -39.250 -65.405 1.00 61.35 H new ATOM 718 N LYS A 50 45.428 -44.851 -68.865 1.00 52.32 N ATOM 719 CA LYS A 50 45.714 -44.796 -70.294 1.00 4.02 C ATOM 720 C LYS A 50 44.511 -44.272 -71.070 1.00 52.25 C ATOM 721 O LYS A 50 43.459 -44.911 -71.111 1.00 72.30 O ATOM 722 CB LYS A 50 46.103 -46.183 -70.810 1.00 45.03 C ATOM 723 CG LYS A 50 46.448 -46.207 -72.290 1.00 14.35 C ATOM 724 CD LYS A 50 45.673 -47.288 -73.025 1.00 3.31 C ATOM 725 CE LYS A 50 46.028 -47.319 -74.504 1.00 20.24 C ATOM 726 NZ LYS A 50 46.675 -48.603 -74.892 1.00 33.34 N ATOM 0 H LYS A 50 44.574 -45.354 -68.626 1.00 52.32 H new ATOM 0 HA LYS A 50 46.548 -44.111 -70.446 1.00 4.02 H new ATOM 0 HB2 LYS A 50 46.958 -46.547 -70.240 1.00 45.03 H new ATOM 0 HB3 LYS A 50 45.280 -46.874 -70.626 1.00 45.03 H new ATOM 0 HG2 LYS A 50 46.227 -45.235 -72.732 1.00 14.35 H new ATOM 0 HG3 LYS A 50 47.518 -46.377 -72.413 1.00 14.35 H new ATOM 0 HD2 LYS A 50 45.887 -48.259 -72.578 1.00 3.31 H new ATOM 0 HD3 LYS A 50 44.603 -47.113 -72.910 1.00 3.31 H new ATOM 0 HE2 LYS A 50 45.125 -47.173 -75.097 1.00 20.24 H new ATOM 0 HE3 LYS A 50 46.698 -46.491 -74.734 1.00 20.24 H new ATOM 0 HZ1 LYS A 50 46.901 -48.585 -75.907 1.00 33.34 H new ATOM 0 HZ2 LYS A 50 47.550 -48.730 -74.344 1.00 33.34 H new ATOM 0 HZ3 LYS A 50 46.026 -49.392 -74.696 1.00 33.34 H new ATOM 740 N LEU A 51 44.672 -43.106 -71.687 1.00 22.22 N ATOM 741 CA LEU A 51 43.599 -42.497 -72.464 1.00 51.33 C ATOM 742 C LEU A 51 44.073 -42.157 -73.874 1.00 12.43 C ATOM 743 O LEU A 51 45.010 -41.379 -74.053 1.00 3.41 O ATOM 744 CB LEU A 51 43.090 -41.234 -71.766 1.00 65.04 C ATOM 745 CG LEU A 51 41.879 -40.555 -72.406 1.00 33.31 C ATOM 746 CD1 LEU A 51 40.846 -40.199 -71.348 1.00 21.23 C ATOM 747 CD2 LEU A 51 42.307 -39.314 -73.175 1.00 32.00 C ATOM 0 H LEU A 51 45.536 -42.564 -71.664 1.00 22.22 H new ATOM 0 HA LEU A 51 42.784 -43.217 -72.538 1.00 51.33 H new ATOM 0 HB2 LEU A 51 42.837 -41.489 -70.737 1.00 65.04 H new ATOM 0 HB3 LEU A 51 43.906 -40.512 -71.724 1.00 65.04 H new ATOM 0 HG LEU A 51 41.424 -41.254 -73.108 1.00 33.31 H new ATOM 0 HD11 LEU A 51 39.991 -39.717 -71.822 1.00 21.23 H new ATOM 0 HD12 LEU A 51 40.516 -41.106 -70.842 1.00 21.23 H new ATOM 0 HD13 LEU A 51 41.289 -39.519 -70.621 1.00 21.23 H new ATOM 0 HD21 LEU A 51 41.432 -38.844 -73.624 1.00 32.00 H new ATOM 0 HD22 LEU A 51 42.787 -38.611 -72.494 1.00 32.00 H new ATOM 0 HD23 LEU A 51 43.009 -39.596 -73.959 1.00 32.00 H new ATOM 759 N ILE A 52 43.418 -42.743 -74.870 1.00 52.21 N ATOM 760 CA ILE A 52 43.770 -42.499 -76.263 1.00 63.12 C ATOM 761 C ILE A 52 42.552 -42.063 -77.070 1.00 42.13 C ATOM 762 O ILE A 52 41.597 -42.822 -77.230 1.00 41.54 O ATOM 763 CB ILE A 52 44.383 -43.752 -76.916 1.00 41.04 C ATOM 764 CG1 ILE A 52 43.427 -44.939 -76.790 1.00 34.53 C ATOM 765 CG2 ILE A 52 45.727 -44.077 -76.281 1.00 52.02 C ATOM 766 CD1 ILE A 52 42.925 -45.456 -78.120 1.00 62.10 C ATOM 0 H ILE A 52 42.641 -43.390 -74.738 1.00 52.21 H new ATOM 0 HA ILE A 52 44.510 -41.699 -76.266 1.00 63.12 H new ATOM 0 HB ILE A 52 44.543 -43.550 -77.975 1.00 41.04 H new ATOM 0 HG12 ILE A 52 43.933 -45.748 -76.263 1.00 34.53 H new ATOM 0 HG13 ILE A 52 42.574 -44.644 -76.179 1.00 34.53 H new ATOM 0 HG21 ILE A 52 46.147 -44.965 -76.753 1.00 52.02 H new ATOM 0 HG22 ILE A 52 46.407 -43.236 -76.419 1.00 52.02 H new ATOM 0 HG23 ILE A 52 45.591 -44.263 -75.216 1.00 52.02 H new ATOM 0 HD11 ILE A 52 42.252 -46.297 -77.953 1.00 62.10 H new ATOM 0 HD12 ILE A 52 42.390 -44.662 -78.641 1.00 62.10 H new ATOM 0 HD13 ILE A 52 43.770 -45.782 -78.726 1.00 62.10 H new ATOM 778 N ASN A 53 42.594 -40.835 -77.578 1.00 63.42 N ATOM 779 CA ASN A 53 41.494 -40.298 -78.371 1.00 22.04 C ATOM 780 C ASN A 53 41.894 -40.165 -79.837 1.00 3.42 C ATOM 781 O ASN A 53 42.862 -39.479 -80.167 1.00 12.41 O ATOM 782 CB ASN A 53 41.061 -38.937 -77.823 1.00 11.23 C ATOM 783 CG ASN A 53 40.356 -38.092 -78.866 1.00 15.43 C ATOM 784 OD1 ASN A 53 40.797 -36.989 -79.189 1.00 51.31 O ATOM 785 ND2 ASN A 53 39.253 -38.607 -79.397 1.00 40.44 N ATOM 0 H ASN A 53 43.377 -40.194 -77.455 1.00 63.42 H new ATOM 0 HA ASN A 53 40.657 -40.993 -78.304 1.00 22.04 H new ATOM 0 HB2 ASN A 53 40.398 -39.086 -76.971 1.00 11.23 H new ATOM 0 HB3 ASN A 53 41.936 -38.401 -77.456 1.00 11.23 H new ATOM 0 HD21 ASN A 53 38.735 -38.084 -80.103 1.00 40.44 H new ATOM 0 HD22 ASN A 53 38.924 -39.525 -79.099 1.00 40.44 H new ATOM 792 N ASP A 54 41.143 -40.824 -80.712 1.00 21.24 N ATOM 793 CA ASP A 54 41.418 -40.778 -82.143 1.00 73.41 C ATOM 794 C ASP A 54 40.481 -39.800 -82.845 1.00 4.31 C ATOM 795 O ASP A 54 40.864 -39.148 -83.817 1.00 13.35 O ATOM 796 CB ASP A 54 41.272 -42.172 -82.757 1.00 4.22 C ATOM 797 CG ASP A 54 42.499 -42.588 -83.544 1.00 71.35 C ATOM 798 OD1 ASP A 54 43.624 -42.342 -83.063 1.00 64.02 O ATOM 799 OD2 ASP A 54 42.333 -43.160 -84.643 1.00 4.32 O ATOM 0 H ASP A 54 40.339 -41.397 -80.455 1.00 21.24 H new ATOM 0 HA ASP A 54 42.443 -40.434 -82.280 1.00 73.41 H new ATOM 0 HB2 ASP A 54 41.089 -42.898 -81.965 1.00 4.22 H new ATOM 0 HB3 ASP A 54 40.401 -42.188 -83.412 1.00 4.22 H new ATOM 804 N SER A 55 39.253 -39.703 -82.347 1.00 31.13 N ATOM 805 CA SER A 55 38.260 -38.808 -82.929 1.00 1.20 C ATOM 806 C SER A 55 38.147 -39.028 -84.434 1.00 54.24 C ATOM 807 O SER A 55 38.696 -39.987 -84.977 1.00 24.25 O ATOM 808 CB SER A 55 38.626 -37.350 -82.641 1.00 72.33 C ATOM 809 OG SER A 55 37.536 -36.656 -82.059 1.00 71.42 O ATOM 0 H SER A 55 38.922 -40.233 -81.541 1.00 31.13 H new ATOM 0 HA SER A 55 37.295 -39.030 -82.473 1.00 1.20 H new ATOM 0 HB2 SER A 55 39.485 -37.313 -81.970 1.00 72.33 H new ATOM 0 HB3 SER A 55 38.923 -36.857 -83.567 1.00 72.33 H new ATOM 0 HG SER A 55 37.796 -35.728 -81.883 1.00 71.42 H new ATOM 815 N HIS A 56 37.429 -38.132 -85.105 1.00 12.14 N ATOM 816 CA HIS A 56 37.243 -38.227 -86.548 1.00 54.32 C ATOM 817 C HIS A 56 37.756 -36.971 -87.246 1.00 11.32 C ATOM 818 O HIS A 56 37.033 -35.984 -87.382 1.00 54.33 O ATOM 819 CB HIS A 56 35.766 -38.441 -86.880 1.00 74.12 C ATOM 820 CG HIS A 56 35.484 -38.495 -88.350 1.00 53.52 C ATOM 821 ND1 HIS A 56 35.398 -39.675 -89.058 1.00 34.15 N ATOM 822 CD2 HIS A 56 35.266 -37.504 -89.246 1.00 41.15 C ATOM 823 CE1 HIS A 56 35.141 -39.408 -90.326 1.00 20.24 C ATOM 824 NE2 HIS A 56 35.056 -38.098 -90.467 1.00 10.33 N ATOM 0 H HIS A 56 36.967 -37.332 -84.672 1.00 12.14 H new ATOM 0 HA HIS A 56 37.816 -39.081 -86.908 1.00 54.32 H new ATOM 0 HB2 HIS A 56 35.430 -39.370 -86.420 1.00 74.12 H new ATOM 0 HB3 HIS A 56 35.182 -37.635 -86.436 1.00 74.12 H new ATOM 0 HD2 HIS A 56 35.259 -36.444 -89.040 1.00 41.15 H new ATOM 0 HE1 HIS A 56 35.021 -40.137 -91.113 1.00 20.24 H new ATOM 0 HE2 HIS A 56 34.865 -37.607 -91.340 1.00 10.33 H new ATOM 1069 N THR A 75 35.080 -47.634 -82.668 1.00 53.44 N ATOM 1070 CA THR A 75 35.487 -46.819 -81.530 1.00 73.42 C ATOM 1071 C THR A 75 36.809 -46.112 -81.805 1.00 31.22 C ATOM 1072 O THR A 75 37.695 -46.663 -82.459 1.00 51.03 O ATOM 1073 CB THR A 75 35.628 -47.669 -80.253 1.00 73.33 C ATOM 1074 OG1 THR A 75 36.966 -48.166 -80.141 1.00 32.41 O ATOM 1075 CG2 THR A 75 34.648 -48.833 -80.267 1.00 63.21 C ATOM 0 HA THR A 75 34.705 -46.075 -81.378 1.00 73.42 H new ATOM 0 HB THR A 75 35.403 -47.036 -79.395 1.00 73.33 H new ATOM 0 HG1 THR A 75 37.421 -47.715 -79.400 1.00 32.41 H new ATOM 0 HG21 THR A 75 34.766 -49.419 -79.355 1.00 63.21 H new ATOM 0 HG22 THR A 75 33.629 -48.450 -80.323 1.00 63.21 H new ATOM 0 HG23 THR A 75 34.846 -49.465 -81.133 1.00 63.21 H new ATOM 1083 N HIS A 76 36.937 -44.889 -81.300 1.00 74.13 N ATOM 1084 CA HIS A 76 38.153 -44.107 -81.491 1.00 12.34 C ATOM 1085 C HIS A 76 38.762 -43.715 -80.148 1.00 3.31 C ATOM 1086 O HIS A 76 39.961 -43.452 -80.052 1.00 2.30 O ATOM 1087 CB HIS A 76 37.855 -42.853 -82.314 1.00 35.32 C ATOM 1088 CG HIS A 76 37.473 -43.145 -83.733 1.00 24.15 C ATOM 1089 ND1 HIS A 76 37.549 -44.405 -84.288 1.00 42.22 N ATOM 1090 CD2 HIS A 76 37.010 -42.332 -84.710 1.00 13.41 C ATOM 1091 CE1 HIS A 76 37.150 -44.353 -85.547 1.00 23.24 C ATOM 1092 NE2 HIS A 76 36.817 -43.106 -85.827 1.00 71.32 N ATOM 0 H HIS A 76 36.214 -44.418 -80.756 1.00 74.13 H new ATOM 0 HA HIS A 76 38.871 -44.724 -82.031 1.00 12.34 H new ATOM 0 HB2 HIS A 76 37.048 -42.298 -81.836 1.00 35.32 H new ATOM 0 HB3 HIS A 76 38.733 -42.207 -82.308 1.00 35.32 H new ATOM 0 HD1 HIS A 76 37.864 -45.245 -83.803 1.00 42.22 H new ATOM 0 HD2 HIS A 76 36.826 -41.271 -84.627 1.00 13.41 H new ATOM 0 HE1 HIS A 76 37.104 -45.188 -86.230 1.00 23.24 H new ATOM 1100 N PHE A 77 37.929 -43.677 -79.114 1.00 33.04 N ATOM 1101 CA PHE A 77 38.385 -43.315 -77.777 1.00 22.43 C ATOM 1102 C PHE A 77 38.297 -44.509 -76.830 1.00 60.24 C ATOM 1103 O PHE A 77 37.345 -45.288 -76.883 1.00 51.24 O ATOM 1104 CB PHE A 77 37.555 -42.153 -77.228 1.00 72.13 C ATOM 1105 CG PHE A 77 37.764 -41.907 -75.761 1.00 50.45 C ATOM 1106 CD1 PHE A 77 37.009 -42.584 -74.817 1.00 50.52 C ATOM 1107 CD2 PHE A 77 38.716 -40.999 -75.327 1.00 11.50 C ATOM 1108 CE1 PHE A 77 37.199 -42.358 -73.467 1.00 0.20 C ATOM 1109 CE2 PHE A 77 38.911 -40.769 -73.978 1.00 32.01 C ATOM 1110 CZ PHE A 77 38.152 -41.450 -73.047 1.00 31.52 C ATOM 0 H PHE A 77 36.934 -43.893 -79.176 1.00 33.04 H new ATOM 0 HA PHE A 77 39.428 -43.006 -77.848 1.00 22.43 H new ATOM 0 HB2 PHE A 77 37.805 -41.246 -77.779 1.00 72.13 H new ATOM 0 HB3 PHE A 77 36.499 -42.355 -77.408 1.00 72.13 H new ATOM 0 HD1 PHE A 77 36.264 -43.296 -75.140 1.00 50.52 H new ATOM 0 HD2 PHE A 77 39.313 -40.465 -76.051 1.00 11.50 H new ATOM 0 HE1 PHE A 77 36.603 -42.891 -72.741 1.00 0.20 H new ATOM 0 HE2 PHE A 77 39.656 -40.058 -73.653 1.00 32.01 H new ATOM 0 HZ PHE A 77 38.303 -41.273 -71.992 1.00 31.52 H new ATOM 1120 N ARG A 78 39.297 -44.646 -75.966 1.00 20.51 N ATOM 1121 CA ARG A 78 39.334 -45.746 -75.009 1.00 2.30 C ATOM 1122 C ARG A 78 40.016 -45.316 -73.713 1.00 51.33 C ATOM 1123 O ARG A 78 41.012 -44.591 -73.734 1.00 14.21 O ATOM 1124 CB ARG A 78 40.067 -46.947 -75.609 1.00 34.54 C ATOM 1125 CG ARG A 78 41.485 -47.117 -75.090 1.00 20.34 C ATOM 1126 CD ARG A 78 42.299 -48.040 -75.984 1.00 13.32 C ATOM 1127 NE ARG A 78 41.814 -49.416 -75.936 1.00 34.40 N ATOM 1128 CZ ARG A 78 42.251 -50.378 -76.741 1.00 24.22 C ATOM 1129 NH1 ARG A 78 43.179 -50.115 -77.650 1.00 43.25 N ATOM 1130 NH2 ARG A 78 41.761 -51.607 -76.636 1.00 42.22 N ATOM 0 H ARG A 78 40.092 -44.010 -75.909 1.00 20.51 H new ATOM 0 HA ARG A 78 38.307 -46.032 -74.782 1.00 2.30 H new ATOM 0 HB2 ARG A 78 39.500 -47.853 -75.394 1.00 34.54 H new ATOM 0 HB3 ARG A 78 40.097 -46.839 -76.693 1.00 34.54 H new ATOM 0 HG2 ARG A 78 41.971 -46.143 -75.032 1.00 20.34 H new ATOM 0 HG3 ARG A 78 41.457 -47.521 -74.078 1.00 20.34 H new ATOM 0 HD2 ARG A 78 42.259 -47.677 -77.011 1.00 13.32 H new ATOM 0 HD3 ARG A 78 43.344 -48.013 -75.677 1.00 13.32 H new ATOM 0 HE ARG A 78 41.100 -49.652 -75.246 1.00 34.40 H new ATOM 0 HH11 ARG A 78 43.559 -49.172 -77.733 1.00 43.25 H new ATOM 0 HH12 ARG A 78 43.513 -50.855 -78.267 1.00 43.25 H new ATOM 0 HH21 ARG A 78 41.048 -51.814 -75.937 1.00 42.22 H new ATOM 0 HH22 ARG A 78 42.097 -52.345 -77.255 1.00 42.22 H new ATOM 1144 N LEU A 79 39.473 -45.766 -72.588 1.00 22.43 N ATOM 1145 CA LEU A 79 40.028 -45.428 -71.282 1.00 24.33 C ATOM 1146 C LEU A 79 40.251 -46.683 -70.443 1.00 54.11 C ATOM 1147 O LEU A 79 39.305 -47.404 -70.126 1.00 42.01 O ATOM 1148 CB LEU A 79 39.097 -44.466 -70.543 1.00 53.22 C ATOM 1149 CG LEU A 79 39.719 -43.685 -69.385 1.00 30.42 C ATOM 1150 CD1 LEU A 79 39.990 -44.606 -68.205 1.00 70.44 C ATOM 1151 CD2 LEU A 79 41.001 -42.998 -69.832 1.00 54.15 C ATOM 0 H LEU A 79 38.649 -46.366 -72.553 1.00 22.43 H new ATOM 0 HA LEU A 79 40.991 -44.943 -71.439 1.00 24.33 H new ATOM 0 HB2 LEU A 79 38.699 -43.752 -71.264 1.00 53.22 H new ATOM 0 HB3 LEU A 79 38.251 -45.035 -70.158 1.00 53.22 H new ATOM 0 HG LEU A 79 39.012 -42.919 -69.068 1.00 30.42 H new ATOM 0 HD11 LEU A 79 40.433 -44.033 -67.390 1.00 70.44 H new ATOM 0 HD12 LEU A 79 39.054 -45.051 -67.869 1.00 70.44 H new ATOM 0 HD13 LEU A 79 40.678 -45.395 -68.509 1.00 70.44 H new ATOM 0 HD21 LEU A 79 41.430 -42.447 -68.995 1.00 54.15 H new ATOM 0 HD22 LEU A 79 41.714 -43.747 -70.177 1.00 54.15 H new ATOM 0 HD23 LEU A 79 40.779 -42.307 -70.645 1.00 54.15 H new ATOM 1163 N GLU A 80 41.506 -46.935 -70.086 1.00 30.13 N ATOM 1164 CA GLU A 80 41.851 -48.102 -69.282 1.00 60.14 C ATOM 1165 C GLU A 80 42.787 -47.719 -68.140 1.00 1.42 C ATOM 1166 O GLU A 80 43.708 -46.922 -68.318 1.00 3.41 O ATOM 1167 CB GLU A 80 42.507 -49.174 -70.155 1.00 74.14 C ATOM 1168 CG GLU A 80 41.853 -49.332 -71.518 1.00 65.52 C ATOM 1169 CD GLU A 80 42.453 -50.469 -72.324 1.00 13.12 C ATOM 1170 OE1 GLU A 80 43.307 -51.198 -71.776 1.00 54.52 O ATOM 1171 OE2 GLU A 80 42.068 -50.630 -73.501 1.00 4.51 O ATOM 0 H GLU A 80 42.300 -46.348 -70.340 1.00 30.13 H new ATOM 0 HA GLU A 80 40.931 -48.502 -68.856 1.00 60.14 H new ATOM 0 HB2 GLU A 80 43.559 -48.925 -70.293 1.00 74.14 H new ATOM 0 HB3 GLU A 80 42.472 -50.129 -69.631 1.00 74.14 H new ATOM 0 HG2 GLU A 80 40.785 -49.508 -71.387 1.00 65.52 H new ATOM 0 HG3 GLU A 80 41.956 -48.402 -72.076 1.00 65.52 H new ATOM 1178 N VAL A 81 42.544 -48.292 -66.965 1.00 54.34 N ATOM 1179 CA VAL A 81 43.364 -48.011 -65.793 1.00 70.32 C ATOM 1180 C VAL A 81 43.875 -49.300 -65.159 1.00 45.03 C ATOM 1181 O VAL A 81 43.127 -50.263 -64.992 1.00 35.13 O ATOM 1182 CB VAL A 81 42.579 -47.209 -64.738 1.00 24.31 C ATOM 1183 CG1 VAL A 81 41.879 -46.022 -65.381 1.00 72.32 C ATOM 1184 CG2 VAL A 81 41.580 -48.106 -64.023 1.00 14.30 C ATOM 0 H VAL A 81 41.786 -48.954 -66.800 1.00 54.34 H new ATOM 0 HA VAL A 81 44.211 -47.416 -66.134 1.00 70.32 H new ATOM 0 HB VAL A 81 43.283 -46.827 -63.999 1.00 24.31 H new ATOM 0 HG11 VAL A 81 41.330 -45.468 -64.620 1.00 72.32 H new ATOM 0 HG12 VAL A 81 42.620 -45.369 -65.842 1.00 72.32 H new ATOM 0 HG13 VAL A 81 41.185 -46.378 -66.143 1.00 72.32 H new ATOM 0 HG21 VAL A 81 41.034 -47.523 -63.281 1.00 14.30 H new ATOM 0 HG22 VAL A 81 40.879 -48.519 -64.748 1.00 14.30 H new ATOM 0 HG23 VAL A 81 42.111 -48.919 -63.527 1.00 14.30 H new ATOM 1194 N THR A 82 45.158 -49.312 -64.807 1.00 55.24 N ATOM 1195 CA THR A 82 45.770 -50.482 -64.192 1.00 65.23 C ATOM 1196 C THR A 82 46.290 -50.161 -62.796 1.00 0.33 C ATOM 1197 O THR A 82 47.219 -49.370 -62.636 1.00 4.44 O ATOM 1198 CB THR A 82 46.932 -51.023 -65.048 1.00 33.13 C ATOM 1199 OG1 THR A 82 46.467 -51.328 -66.367 1.00 43.15 O ATOM 1200 CG2 THR A 82 47.534 -52.269 -64.416 1.00 62.12 C ATOM 0 H THR A 82 45.792 -48.524 -64.938 1.00 55.24 H new ATOM 0 HA THR A 82 44.994 -51.244 -64.121 1.00 65.23 H new ATOM 0 HB THR A 82 47.703 -50.254 -65.104 1.00 33.13 H new ATOM 0 HG1 THR A 82 47.211 -51.670 -66.905 1.00 43.15 H new ATOM 0 HG21 THR A 82 48.352 -52.633 -65.037 1.00 62.12 H new ATOM 0 HG22 THR A 82 47.913 -52.027 -63.423 1.00 62.12 H new ATOM 0 HG23 THR A 82 46.769 -53.041 -64.334 1.00 62.12 H new ATOM 1208 N SER A 83 45.685 -50.780 -61.787 1.00 53.41 N ATOM 1209 CA SER A 83 46.085 -50.557 -60.403 1.00 13.43 C ATOM 1210 C SER A 83 46.481 -51.869 -59.733 1.00 74.24 C ATOM 1211 O SER A 83 45.630 -52.708 -59.435 1.00 0.33 O ATOM 1212 CB SER A 83 44.948 -49.895 -59.621 1.00 72.13 C ATOM 1213 OG SER A 83 44.539 -50.705 -58.532 1.00 51.45 O ATOM 0 H SER A 83 44.916 -51.440 -61.902 1.00 53.41 H new ATOM 0 HA SER A 83 46.950 -49.894 -60.404 1.00 13.43 H new ATOM 0 HB2 SER A 83 45.274 -48.922 -59.253 1.00 72.13 H new ATOM 0 HB3 SER A 83 44.101 -49.717 -60.284 1.00 72.13 H new ATOM 0 HG SER A 83 44.518 -51.644 -58.812 1.00 51.45 H new ATOM 1219 N ASP A 84 47.777 -52.040 -59.501 1.00 44.21 N ATOM 1220 CA ASP A 84 48.288 -53.249 -58.866 1.00 72.42 C ATOM 1221 C ASP A 84 48.136 -54.454 -59.790 1.00 42.44 C ATOM 1222 O ASP A 84 48.440 -55.583 -59.409 1.00 23.31 O ATOM 1223 CB ASP A 84 47.556 -53.507 -57.548 1.00 53.03 C ATOM 1224 CG ASP A 84 48.474 -53.403 -56.346 1.00 73.22 C ATOM 1225 OD1 ASP A 84 48.636 -52.283 -55.819 1.00 44.15 O ATOM 1226 OD2 ASP A 84 49.030 -54.442 -55.933 1.00 22.23 O ATOM 0 H ASP A 84 48.494 -51.356 -59.743 1.00 44.21 H new ATOM 0 HA ASP A 84 49.348 -53.102 -58.661 1.00 72.42 H new ATOM 0 HB2 ASP A 84 46.741 -52.791 -57.442 1.00 53.03 H new ATOM 0 HB3 ASP A 84 47.107 -54.500 -57.574 1.00 53.03 H new ATOM 1231 N ALA A 85 47.663 -54.204 -61.007 1.00 2.40 N ATOM 1232 CA ALA A 85 47.472 -55.267 -61.986 1.00 1.33 C ATOM 1233 C ALA A 85 46.919 -56.526 -61.327 1.00 53.13 C ATOM 1234 O ALA A 85 47.663 -57.459 -61.025 1.00 71.03 O ATOM 1235 CB ALA A 85 48.783 -55.572 -62.696 1.00 33.45 C ATOM 0 H ALA A 85 47.405 -53.274 -61.338 1.00 2.40 H new ATOM 0 HA ALA A 85 46.745 -54.924 -62.722 1.00 1.33 H new ATOM 0 HB1 ALA A 85 48.626 -56.368 -63.424 1.00 33.45 H new ATOM 0 HB2 ALA A 85 49.137 -54.677 -63.207 1.00 33.45 H new ATOM 0 HB3 ALA A 85 49.527 -55.890 -61.966 1.00 33.45 H new ATOM 1241 N PHE A 86 45.608 -56.546 -61.107 1.00 4.42 N ATOM 1242 CA PHE A 86 44.955 -57.690 -60.482 1.00 63.22 C ATOM 1243 C PHE A 86 43.444 -57.488 -60.421 1.00 2.40 C ATOM 1244 O PHE A 86 42.845 -57.520 -59.346 1.00 54.21 O ATOM 1245 CB PHE A 86 45.509 -57.914 -59.073 1.00 52.14 C ATOM 1246 CG PHE A 86 45.535 -59.358 -58.662 1.00 32.21 C ATOM 1247 CD1 PHE A 86 44.379 -59.991 -58.233 1.00 2.13 C ATOM 1248 CD2 PHE A 86 46.715 -60.083 -58.705 1.00 33.41 C ATOM 1249 CE1 PHE A 86 44.401 -61.320 -57.853 1.00 12.52 C ATOM 1250 CE2 PHE A 86 46.742 -61.413 -58.327 1.00 2.54 C ATOM 1251 CZ PHE A 86 45.583 -62.032 -57.901 1.00 4.40 C ATOM 0 H PHE A 86 44.977 -55.783 -61.352 1.00 4.42 H new ATOM 0 HA PHE A 86 45.161 -58.571 -61.090 1.00 63.22 H new ATOM 0 HB2 PHE A 86 46.521 -57.511 -59.021 1.00 52.14 H new ATOM 0 HB3 PHE A 86 44.905 -57.352 -58.360 1.00 52.14 H new ATOM 0 HD1 PHE A 86 43.451 -59.440 -58.195 1.00 2.13 H new ATOM 0 HD2 PHE A 86 47.624 -59.604 -59.038 1.00 33.41 H new ATOM 0 HE1 PHE A 86 43.494 -61.801 -57.519 1.00 12.52 H new ATOM 0 HE2 PHE A 86 47.668 -61.967 -58.365 1.00 2.54 H new ATOM 0 HZ PHE A 86 45.601 -63.071 -57.606 1.00 4.40 H new ATOM 1261 N LYS A 87 42.834 -57.278 -61.582 1.00 51.05 N ATOM 1262 CA LYS A 87 41.393 -57.070 -61.664 1.00 30.42 C ATOM 1263 C LYS A 87 40.640 -58.205 -60.975 1.00 43.44 C ATOM 1264 O LYS A 87 41.070 -59.357 -61.007 1.00 50.12 O ATOM 1265 CB LYS A 87 40.954 -56.966 -63.126 1.00 73.20 C ATOM 1266 CG LYS A 87 39.449 -57.047 -63.316 1.00 51.52 C ATOM 1267 CD LYS A 87 38.996 -58.472 -63.585 1.00 1.13 C ATOM 1268 CE LYS A 87 38.649 -58.680 -65.051 1.00 14.42 C ATOM 1269 NZ LYS A 87 39.861 -58.938 -65.877 1.00 15.02 N ATOM 0 H LYS A 87 43.316 -57.247 -62.481 1.00 51.05 H new ATOM 0 HA LYS A 87 41.156 -56.137 -61.153 1.00 30.42 H new ATOM 0 HB2 LYS A 87 41.314 -56.023 -63.539 1.00 73.20 H new ATOM 0 HB3 LYS A 87 41.427 -57.765 -63.697 1.00 73.20 H new ATOM 0 HG2 LYS A 87 38.948 -56.667 -62.425 1.00 51.52 H new ATOM 0 HG3 LYS A 87 39.151 -56.407 -64.147 1.00 51.52 H new ATOM 0 HD2 LYS A 87 39.785 -59.166 -63.295 1.00 1.13 H new ATOM 0 HD3 LYS A 87 38.127 -58.701 -62.968 1.00 1.13 H new ATOM 0 HE2 LYS A 87 37.960 -59.519 -65.145 1.00 14.42 H new ATOM 0 HE3 LYS A 87 38.132 -57.799 -65.430 1.00 14.42 H new ATOM 0 HZ1 LYS A 87 39.582 -59.074 -66.870 1.00 15.02 H new ATOM 0 HZ2 LYS A 87 40.508 -58.126 -65.807 1.00 15.02 H new ATOM 0 HZ3 LYS A 87 40.341 -59.794 -65.532 1.00 15.02 H new ATOM 1283 N GLY A 88 39.513 -57.870 -60.354 1.00 41.25 N ATOM 1284 CA GLY A 88 38.718 -58.872 -59.669 1.00 2.33 C ATOM 1285 C GLY A 88 37.334 -58.369 -59.311 1.00 53.54 C ATOM 1286 O GLY A 88 36.396 -58.495 -60.101 1.00 3.45 O ATOM 0 H GLY A 88 39.137 -56.923 -60.313 1.00 41.25 H new ATOM 0 HA2 GLY A 88 38.628 -59.755 -60.302 1.00 2.33 H new ATOM 0 HA3 GLY A 88 39.235 -59.182 -58.761 1.00 2.33 H new ATOM 1290 N LEU A 89 37.203 -57.798 -58.119 1.00 31.22 N ATOM 1291 CA LEU A 89 35.922 -57.275 -57.657 1.00 74.32 C ATOM 1292 C LEU A 89 35.999 -55.769 -57.429 1.00 74.10 C ATOM 1293 O LEU A 89 37.084 -55.208 -57.275 1.00 12.42 O ATOM 1294 CB LEU A 89 35.497 -57.977 -56.366 1.00 63.21 C ATOM 1295 CG LEU A 89 35.833 -59.466 -56.270 1.00 0.11 C ATOM 1296 CD1 LEU A 89 37.067 -59.680 -55.407 1.00 61.14 C ATOM 1297 CD2 LEU A 89 34.650 -60.245 -55.714 1.00 12.31 C ATOM 0 H LEU A 89 37.969 -57.685 -57.454 1.00 31.22 H new ATOM 0 HA LEU A 89 35.179 -57.469 -58.430 1.00 74.32 H new ATOM 0 HB2 LEU A 89 35.966 -57.464 -55.526 1.00 63.21 H new ATOM 0 HB3 LEU A 89 34.420 -57.860 -56.250 1.00 63.21 H new ATOM 0 HG LEU A 89 36.047 -59.836 -57.273 1.00 0.11 H new ATOM 0 HD11 LEU A 89 37.291 -60.745 -55.350 1.00 61.14 H new ATOM 0 HD12 LEU A 89 37.914 -59.154 -55.847 1.00 61.14 H new ATOM 0 HD13 LEU A 89 36.881 -59.294 -54.405 1.00 61.14 H new ATOM 0 HD21 LEU A 89 34.907 -61.302 -55.653 1.00 12.31 H new ATOM 0 HD22 LEU A 89 34.405 -59.873 -54.719 1.00 12.31 H new ATOM 0 HD23 LEU A 89 33.790 -60.118 -56.371 1.00 12.31 H new ATOM 1309 N THR A 90 34.839 -55.119 -57.406 1.00 60.04 N ATOM 1310 CA THR A 90 34.774 -53.678 -57.196 1.00 25.42 C ATOM 1311 C THR A 90 35.574 -52.931 -58.257 1.00 22.21 C ATOM 1312 O THR A 90 36.155 -51.880 -57.985 1.00 45.22 O ATOM 1313 CB THR A 90 35.304 -53.290 -55.802 1.00 73.13 C ATOM 1314 OG1 THR A 90 36.730 -53.163 -55.838 1.00 35.03 O ATOM 1315 CG2 THR A 90 34.908 -54.329 -54.764 1.00 74.12 C ATOM 0 H THR A 90 33.932 -55.568 -57.530 1.00 60.04 H new ATOM 0 HA THR A 90 33.724 -53.394 -57.270 1.00 25.42 H new ATOM 0 HB THR A 90 34.862 -52.334 -55.522 1.00 73.13 H new ATOM 0 HG1 THR A 90 37.125 -54.001 -56.156 1.00 35.03 H new ATOM 0 HG21 THR A 90 35.293 -54.034 -53.788 1.00 74.12 H new ATOM 0 HG22 THR A 90 33.821 -54.402 -54.718 1.00 74.12 H new ATOM 0 HG23 THR A 90 35.325 -55.297 -55.041 1.00 74.12 H new ATOM 1323 N LEU A 91 35.600 -53.479 -59.467 1.00 34.33 N ATOM 1324 CA LEU A 91 36.328 -52.864 -60.570 1.00 42.55 C ATOM 1325 C LEU A 91 35.613 -51.609 -61.062 1.00 44.02 C ATOM 1326 O LEU A 91 36.251 -50.640 -61.474 1.00 52.31 O ATOM 1327 CB LEU A 91 36.486 -53.859 -61.722 1.00 11.45 C ATOM 1328 CG LEU A 91 35.274 -54.020 -62.640 1.00 30.53 C ATOM 1329 CD1 LEU A 91 35.676 -54.698 -63.940 1.00 64.33 C ATOM 1330 CD2 LEU A 91 34.177 -54.811 -61.941 1.00 64.11 C ATOM 0 H LEU A 91 35.125 -54.349 -59.709 1.00 34.33 H new ATOM 0 HA LEU A 91 37.315 -52.579 -60.206 1.00 42.55 H new ATOM 0 HB2 LEU A 91 37.338 -53.550 -62.328 1.00 11.45 H new ATOM 0 HB3 LEU A 91 36.731 -54.835 -61.302 1.00 11.45 H new ATOM 0 HG LEU A 91 34.886 -53.029 -62.876 1.00 30.53 H new ATOM 0 HD11 LEU A 91 34.801 -54.804 -64.581 1.00 64.33 H new ATOM 0 HD12 LEU A 91 36.427 -54.093 -64.449 1.00 64.33 H new ATOM 0 HD13 LEU A 91 36.089 -55.683 -63.724 1.00 64.33 H new ATOM 0 HD21 LEU A 91 33.322 -54.916 -62.609 1.00 64.11 H new ATOM 0 HD22 LEU A 91 34.554 -55.799 -61.676 1.00 64.11 H new ATOM 0 HD23 LEU A 91 33.869 -54.285 -61.037 1.00 64.11 H new ATOM 1342 N VAL A 92 34.285 -51.634 -61.014 1.00 42.40 N ATOM 1343 CA VAL A 92 33.483 -50.497 -61.451 1.00 62.23 C ATOM 1344 C VAL A 92 33.802 -49.252 -60.632 1.00 13.15 C ATOM 1345 O VAL A 92 33.596 -48.126 -61.086 1.00 63.20 O ATOM 1346 CB VAL A 92 31.977 -50.798 -61.343 1.00 34.54 C ATOM 1347 CG1 VAL A 92 31.595 -51.951 -62.259 1.00 52.21 C ATOM 1348 CG2 VAL A 92 31.598 -51.105 -59.901 1.00 54.55 C ATOM 0 H VAL A 92 33.742 -52.429 -60.677 1.00 42.40 H new ATOM 0 HA VAL A 92 33.735 -50.315 -62.496 1.00 62.23 H new ATOM 0 HB VAL A 92 31.424 -49.914 -61.661 1.00 34.54 H new ATOM 0 HG11 VAL A 92 30.527 -52.149 -62.169 1.00 52.21 H new ATOM 0 HG12 VAL A 92 31.830 -51.689 -63.291 1.00 52.21 H new ATOM 0 HG13 VAL A 92 32.154 -52.842 -61.975 1.00 52.21 H new ATOM 0 HG21 VAL A 92 30.530 -51.315 -59.842 1.00 54.55 H new ATOM 0 HG22 VAL A 92 32.159 -51.973 -59.554 1.00 54.55 H new ATOM 0 HG23 VAL A 92 31.834 -50.246 -59.272 1.00 54.55 H new ATOM 1358 N LYS A 93 34.305 -49.461 -59.420 1.00 5.21 N ATOM 1359 CA LYS A 93 34.655 -48.356 -58.535 1.00 41.12 C ATOM 1360 C LYS A 93 35.731 -47.475 -59.163 1.00 74.23 C ATOM 1361 O LYS A 93 35.640 -46.248 -59.127 1.00 4.00 O ATOM 1362 CB LYS A 93 35.142 -48.890 -57.186 1.00 40.02 C ATOM 1363 CG LYS A 93 35.593 -47.801 -56.228 1.00 22.30 C ATOM 1364 CD LYS A 93 37.032 -48.009 -55.786 1.00 42.41 C ATOM 1365 CE LYS A 93 37.280 -47.425 -54.404 1.00 3.13 C ATOM 1366 NZ LYS A 93 36.794 -46.021 -54.299 1.00 24.10 N ATOM 0 H LYS A 93 34.480 -50.386 -59.028 1.00 5.21 H new ATOM 0 HA LYS A 93 33.761 -47.752 -58.379 1.00 41.12 H new ATOM 0 HB2 LYS A 93 34.340 -49.463 -56.720 1.00 40.02 H new ATOM 0 HB3 LYS A 93 35.969 -49.579 -57.355 1.00 40.02 H new ATOM 0 HG2 LYS A 93 35.496 -46.828 -56.710 1.00 22.30 H new ATOM 0 HG3 LYS A 93 34.941 -47.790 -55.355 1.00 22.30 H new ATOM 0 HD2 LYS A 93 37.261 -49.075 -55.778 1.00 42.41 H new ATOM 0 HD3 LYS A 93 37.706 -47.543 -56.505 1.00 42.41 H new ATOM 0 HE2 LYS A 93 36.780 -48.039 -53.655 1.00 3.13 H new ATOM 0 HE3 LYS A 93 38.347 -47.457 -54.182 1.00 3.13 H new ATOM 0 HZ1 LYS A 93 37.587 -45.397 -54.047 1.00 24.10 H new ATOM 0 HZ2 LYS A 93 36.395 -45.723 -55.212 1.00 24.10 H new ATOM 0 HZ3 LYS A 93 36.060 -45.962 -53.565 1.00 24.10 H new ATOM 1380 N ARG A 94 36.746 -48.110 -59.740 1.00 2.42 N ATOM 1381 CA ARG A 94 37.838 -47.383 -60.376 1.00 64.32 C ATOM 1382 C ARG A 94 37.347 -46.637 -61.613 1.00 62.23 C ATOM 1383 O ARG A 94 37.623 -45.449 -61.785 1.00 70.42 O ATOM 1384 CB ARG A 94 38.963 -48.346 -60.761 1.00 43.12 C ATOM 1385 CG ARG A 94 40.067 -48.440 -59.721 1.00 22.24 C ATOM 1386 CD ARG A 94 41.273 -47.599 -60.110 1.00 12.03 C ATOM 1387 NE ARG A 94 41.248 -46.282 -59.479 1.00 20.24 N ATOM 1388 CZ ARG A 94 41.924 -45.235 -59.937 1.00 2.30 C ATOM 1389 NH1 ARG A 94 42.674 -45.350 -61.024 1.00 51.35 N ATOM 1390 NH2 ARG A 94 41.851 -44.069 -59.307 1.00 51.04 N ATOM 0 H ARG A 94 36.835 -49.125 -59.780 1.00 2.42 H new ATOM 0 HA ARG A 94 38.221 -46.654 -59.662 1.00 64.32 H new ATOM 0 HB2 ARG A 94 38.541 -49.338 -60.922 1.00 43.12 H new ATOM 0 HB3 ARG A 94 39.395 -48.026 -61.709 1.00 43.12 H new ATOM 0 HG2 ARG A 94 39.687 -48.108 -58.755 1.00 22.24 H new ATOM 0 HG3 ARG A 94 40.370 -49.480 -59.604 1.00 22.24 H new ATOM 0 HD2 ARG A 94 42.186 -48.121 -59.824 1.00 12.03 H new ATOM 0 HD3 ARG A 94 41.299 -47.482 -61.193 1.00 12.03 H new ATOM 0 HE ARG A 94 40.680 -46.160 -58.641 1.00 20.24 H new ATOM 0 HH11 ARG A 94 42.733 -46.244 -61.511 1.00 51.35 H new ATOM 0 HH12 ARG A 94 43.192 -44.544 -61.374 1.00 51.35 H new ATOM 0 HH21 ARG A 94 41.275 -43.977 -58.470 1.00 51.04 H new ATOM 0 HH22 ARG A 94 42.371 -43.265 -59.660 1.00 51.04 H new ATOM 1404 N HIS A 95 36.618 -47.342 -62.473 1.00 24.32 N ATOM 1405 CA HIS A 95 36.088 -46.747 -63.694 1.00 45.23 C ATOM 1406 C HIS A 95 35.129 -45.606 -63.371 1.00 11.35 C ATOM 1407 O HIS A 95 35.107 -44.587 -64.061 1.00 34.31 O ATOM 1408 CB HIS A 95 35.375 -47.806 -64.535 1.00 53.10 C ATOM 1409 CG HIS A 95 34.528 -47.232 -65.629 1.00 44.41 C ATOM 1410 ND1 HIS A 95 34.968 -46.237 -66.477 1.00 53.02 N ATOM 1411 CD2 HIS A 95 33.263 -47.519 -66.013 1.00 34.12 C ATOM 1412 CE1 HIS A 95 34.008 -45.936 -67.334 1.00 21.31 C ATOM 1413 NE2 HIS A 95 32.963 -46.701 -67.074 1.00 13.42 N ATOM 0 H HIS A 95 36.381 -48.326 -62.346 1.00 24.32 H new ATOM 0 HA HIS A 95 36.925 -46.344 -64.265 1.00 45.23 H new ATOM 0 HB2 HIS A 95 36.119 -48.471 -64.974 1.00 53.10 H new ATOM 0 HB3 HIS A 95 34.748 -48.415 -63.883 1.00 53.10 H new ATOM 0 HD2 HIS A 95 32.610 -48.255 -65.568 1.00 34.12 H new ATOM 0 HE1 HIS A 95 34.068 -45.191 -68.114 1.00 21.31 H new ATOM 0 HE2 HIS A 95 32.077 -46.686 -67.579 1.00 13.42 H new ATOM 1421 N GLN A 96 34.338 -45.785 -62.317 1.00 41.34 N ATOM 1422 CA GLN A 96 33.376 -44.770 -61.904 1.00 72.21 C ATOM 1423 C GLN A 96 34.079 -43.594 -61.234 1.00 34.20 C ATOM 1424 O GLN A 96 33.695 -42.439 -61.422 1.00 41.14 O ATOM 1425 CB GLN A 96 32.344 -45.374 -60.950 1.00 22.33 C ATOM 1426 CG GLN A 96 31.502 -44.335 -60.227 1.00 24.21 C ATOM 1427 CD GLN A 96 30.504 -44.956 -59.270 1.00 21.13 C ATOM 1428 OE1 GLN A 96 29.397 -45.326 -59.663 1.00 23.14 O ATOM 1429 NE2 GLN A 96 30.891 -45.074 -58.005 1.00 13.12 N ATOM 0 H GLN A 96 34.345 -46.622 -61.735 1.00 41.34 H new ATOM 0 HA GLN A 96 32.866 -44.404 -62.795 1.00 72.21 H new ATOM 0 HB2 GLN A 96 31.685 -46.036 -61.512 1.00 22.33 H new ATOM 0 HB3 GLN A 96 32.860 -45.989 -60.212 1.00 22.33 H new ATOM 0 HG2 GLN A 96 32.158 -43.661 -59.675 1.00 24.21 H new ATOM 0 HG3 GLN A 96 30.969 -43.731 -60.961 1.00 24.21 H new ATOM 0 HE21 GLN A 96 31.818 -44.754 -57.723 1.00 13.12 H new ATOM 0 HE22 GLN A 96 30.262 -45.485 -57.315 1.00 13.12 H new ATOM 1438 N LEU A 97 35.109 -43.895 -60.451 1.00 74.20 N ATOM 1439 CA LEU A 97 35.866 -42.863 -59.752 1.00 13.41 C ATOM 1440 C LEU A 97 36.319 -41.772 -60.717 1.00 71.11 C ATOM 1441 O LEU A 97 36.111 -40.584 -60.469 1.00 34.11 O ATOM 1442 CB LEU A 97 37.079 -43.478 -59.053 1.00 4.42 C ATOM 1443 CG LEU A 97 36.855 -43.959 -57.619 1.00 25.20 C ATOM 1444 CD1 LEU A 97 38.032 -44.801 -57.149 1.00 12.44 C ATOM 1445 CD2 LEU A 97 36.637 -42.776 -56.687 1.00 21.20 C ATOM 0 H LEU A 97 35.439 -44.846 -60.284 1.00 74.20 H new ATOM 0 HA LEU A 97 35.214 -42.412 -59.004 1.00 13.41 H new ATOM 0 HB2 LEU A 97 37.427 -44.323 -59.648 1.00 4.42 H new ATOM 0 HB3 LEU A 97 37.882 -42.741 -59.046 1.00 4.42 H new ATOM 0 HG LEU A 97 35.959 -44.580 -57.600 1.00 25.20 H new ATOM 0 HD11 LEU A 97 37.855 -45.135 -56.126 1.00 12.44 H new ATOM 0 HD12 LEU A 97 38.142 -45.668 -57.800 1.00 12.44 H new ATOM 0 HD13 LEU A 97 38.943 -44.204 -57.183 1.00 12.44 H new ATOM 0 HD21 LEU A 97 36.479 -43.138 -55.671 1.00 21.20 H new ATOM 0 HD22 LEU A 97 37.514 -42.129 -56.710 1.00 21.20 H new ATOM 0 HD23 LEU A 97 35.762 -42.213 -57.012 1.00 21.20 H new ATOM 1457 N ILE A 98 36.937 -42.184 -61.819 1.00 3.13 N ATOM 1458 CA ILE A 98 37.417 -41.242 -62.823 1.00 15.04 C ATOM 1459 C ILE A 98 36.272 -40.738 -63.695 1.00 34.50 C ATOM 1460 O ILE A 98 36.208 -39.556 -64.033 1.00 64.30 O ATOM 1461 CB ILE A 98 38.492 -41.878 -63.723 1.00 50.22 C ATOM 1462 CG1 ILE A 98 37.934 -43.119 -64.423 1.00 54.42 C ATOM 1463 CG2 ILE A 98 39.725 -42.234 -62.906 1.00 14.13 C ATOM 1464 CD1 ILE A 98 38.984 -43.923 -65.157 1.00 2.34 C ATOM 0 H ILE A 98 37.117 -43.164 -62.039 1.00 3.13 H new ATOM 0 HA ILE A 98 37.857 -40.403 -62.284 1.00 15.04 H new ATOM 0 HB ILE A 98 38.781 -41.154 -64.484 1.00 50.22 H new ATOM 0 HG12 ILE A 98 37.451 -43.757 -63.683 1.00 54.42 H new ATOM 0 HG13 ILE A 98 37.164 -42.812 -65.130 1.00 54.42 H new ATOM 0 HG21 ILE A 98 40.476 -42.683 -63.557 1.00 14.13 H new ATOM 0 HG22 ILE A 98 40.132 -41.332 -62.450 1.00 14.13 H new ATOM 0 HG23 ILE A 98 39.452 -42.943 -62.125 1.00 14.13 H new ATOM 0 HD11 ILE A 98 38.517 -44.787 -65.629 1.00 2.34 H new ATOM 0 HD12 ILE A 98 39.451 -43.301 -65.921 1.00 2.34 H new ATOM 0 HD13 ILE A 98 39.743 -44.261 -64.451 1.00 2.34 H new ATOM 1476 N TYR A 99 35.368 -41.643 -64.055 1.00 13.23 N ATOM 1477 CA TYR A 99 34.224 -41.291 -64.888 1.00 44.14 C ATOM 1478 C TYR A 99 34.652 -40.404 -66.053 1.00 42.35 C ATOM 1479 O TYR A 99 34.165 -39.285 -66.208 1.00 51.32 O ATOM 1480 CB TYR A 99 33.159 -40.578 -64.054 1.00 54.04 C ATOM 1481 CG TYR A 99 31.881 -40.301 -64.814 1.00 34.34 C ATOM 1482 CD1 TYR A 99 31.311 -41.270 -65.631 1.00 44.54 C ATOM 1483 CD2 TYR A 99 31.242 -39.072 -64.712 1.00 53.50 C ATOM 1484 CE1 TYR A 99 30.144 -41.021 -66.327 1.00 44.43 C ATOM 1485 CE2 TYR A 99 30.073 -38.814 -65.403 1.00 64.32 C ATOM 1486 CZ TYR A 99 29.529 -39.792 -66.210 1.00 1.22 C ATOM 1487 OH TYR A 99 28.366 -39.540 -66.900 1.00 74.53 O ATOM 0 H TYR A 99 35.405 -42.625 -63.783 1.00 13.23 H new ATOM 0 HA TYR A 99 33.803 -42.212 -65.291 1.00 44.14 H new ATOM 0 HB2 TYR A 99 32.927 -41.186 -63.179 1.00 54.04 H new ATOM 0 HB3 TYR A 99 33.566 -39.635 -63.689 1.00 54.04 H new ATOM 0 HD1 TYR A 99 31.789 -42.234 -65.723 1.00 44.54 H new ATOM 0 HD2 TYR A 99 31.666 -38.304 -64.082 1.00 53.50 H new ATOM 0 HE1 TYR A 99 29.716 -41.785 -66.959 1.00 44.43 H new ATOM 0 HE2 TYR A 99 29.589 -37.853 -65.312 1.00 64.32 H new ATOM 0 HH TYR A 99 28.062 -38.629 -66.707 1.00 74.53 H new ATOM 1497 N GLY A 100 35.568 -40.913 -66.872 1.00 72.40 N ATOM 1498 CA GLY A 100 36.047 -40.156 -68.013 1.00 54.33 C ATOM 1499 C GLY A 100 35.396 -40.590 -69.312 1.00 24.22 C ATOM 1500 O GLY A 100 35.147 -39.769 -70.195 1.00 43.05 O ATOM 0 H GLY A 100 35.987 -41.837 -66.765 1.00 72.40 H new ATOM 0 HA2 GLY A 100 35.853 -39.096 -67.849 1.00 54.33 H new ATOM 0 HA3 GLY A 100 37.128 -40.273 -68.095 1.00 54.33 H new ATOM 1504 N LEU A 101 35.122 -41.885 -69.430 1.00 12.41 N ATOM 1505 CA LEU A 101 34.498 -42.428 -70.631 1.00 52.13 C ATOM 1506 C LEU A 101 33.249 -41.634 -71.003 1.00 22.31 C ATOM 1507 O LEU A 101 32.659 -40.955 -70.162 1.00 5.52 O ATOM 1508 CB LEU A 101 34.137 -43.900 -70.421 1.00 51.55 C ATOM 1509 CG LEU A 101 33.632 -44.649 -71.655 1.00 21.32 C ATOM 1510 CD1 LEU A 101 34.682 -44.635 -72.755 1.00 21.10 C ATOM 1511 CD2 LEU A 101 33.255 -46.079 -71.293 1.00 4.50 C ATOM 0 H LEU A 101 35.322 -42.578 -68.709 1.00 12.41 H new ATOM 0 HA LEU A 101 35.213 -42.349 -71.450 1.00 52.13 H new ATOM 0 HB2 LEU A 101 35.017 -44.419 -70.041 1.00 51.55 H new ATOM 0 HB3 LEU A 101 33.372 -43.959 -69.646 1.00 51.55 H new ATOM 0 HG LEU A 101 32.741 -44.142 -72.025 1.00 21.32 H new ATOM 0 HD11 LEU A 101 34.305 -45.173 -73.625 1.00 21.10 H new ATOM 0 HD12 LEU A 101 34.904 -43.605 -73.033 1.00 21.10 H new ATOM 0 HD13 LEU A 101 35.591 -45.118 -72.396 1.00 21.10 H new ATOM 0 HD21 LEU A 101 32.898 -46.597 -72.183 1.00 4.50 H new ATOM 0 HD22 LEU A 101 34.129 -46.597 -70.898 1.00 4.50 H new ATOM 0 HD23 LEU A 101 32.468 -46.068 -70.539 1.00 4.50 H new ATOM 1523 N LEU A 102 32.850 -41.727 -72.267 1.00 2.25 N ATOM 1524 CA LEU A 102 31.669 -41.019 -72.750 1.00 25.33 C ATOM 1525 C LEU A 102 31.879 -39.509 -72.696 1.00 23.44 C ATOM 1526 O LEU A 102 31.526 -38.858 -71.712 1.00 70.54 O ATOM 1527 CB LEU A 102 30.444 -41.405 -71.920 1.00 30.53 C ATOM 1528 CG LEU A 102 29.094 -41.305 -72.630 1.00 15.12 C ATOM 1529 CD1 LEU A 102 28.818 -39.870 -73.053 1.00 23.25 C ATOM 1530 CD2 LEU A 102 29.053 -42.235 -73.834 1.00 5.42 C ATOM 0 H LEU A 102 33.326 -42.285 -72.975 1.00 2.25 H new ATOM 0 HA LEU A 102 31.502 -41.307 -73.788 1.00 25.33 H new ATOM 0 HB2 LEU A 102 30.574 -42.430 -71.572 1.00 30.53 H new ATOM 0 HB3 LEU A 102 30.415 -40.769 -71.035 1.00 30.53 H new ATOM 0 HG LEU A 102 28.315 -41.613 -71.932 1.00 15.12 H new ATOM 0 HD11 LEU A 102 27.853 -39.818 -73.557 1.00 23.25 H new ATOM 0 HD12 LEU A 102 28.803 -39.228 -72.172 1.00 23.25 H new ATOM 0 HD13 LEU A 102 29.601 -39.534 -73.733 1.00 23.25 H new ATOM 0 HD21 LEU A 102 28.084 -42.150 -74.327 1.00 5.42 H new ATOM 0 HD22 LEU A 102 29.842 -41.959 -74.534 1.00 5.42 H new ATOM 0 HD23 LEU A 102 29.204 -43.263 -73.505 1.00 5.42 H new ATOM 1542 N SER A 103 32.455 -38.959 -73.760 1.00 14.43 N ATOM 1543 CA SER A 103 32.713 -37.525 -73.833 1.00 31.31 C ATOM 1544 C SER A 103 33.180 -37.128 -75.230 1.00 25.22 C ATOM 1545 O SER A 103 32.410 -36.591 -76.025 1.00 55.30 O ATOM 1546 CB SER A 103 33.764 -37.121 -72.797 1.00 32.50 C ATOM 1547 OG SER A 103 34.497 -38.248 -72.349 1.00 22.14 O ATOM 0 H SER A 103 32.752 -39.484 -74.583 1.00 14.43 H new ATOM 0 HA SER A 103 31.781 -37.001 -73.618 1.00 31.31 H new ATOM 0 HB2 SER A 103 34.445 -36.389 -73.231 1.00 32.50 H new ATOM 0 HB3 SER A 103 33.277 -36.639 -71.949 1.00 32.50 H new ATOM 0 HG SER A 103 34.382 -38.349 -71.381 1.00 22.14 H new ATOM 1553 N ASP A 104 34.448 -37.397 -75.521 1.00 5.22 N ATOM 1554 CA ASP A 104 35.020 -37.069 -76.822 1.00 24.24 C ATOM 1555 C ASP A 104 34.608 -38.097 -77.871 1.00 52.40 C ATOM 1556 O ASP A 104 34.438 -37.765 -79.044 1.00 23.51 O ATOM 1557 CB ASP A 104 36.546 -37.000 -76.729 1.00 75.33 C ATOM 1558 CG ASP A 104 37.156 -36.176 -77.845 1.00 44.32 C ATOM 1559 OD1 ASP A 104 36.410 -35.420 -78.501 1.00 75.34 O ATOM 1560 OD2 ASP A 104 38.381 -36.286 -78.063 1.00 63.41 O ATOM 0 H ASP A 104 35.099 -37.841 -74.874 1.00 5.22 H new ATOM 0 HA ASP A 104 34.638 -36.094 -77.125 1.00 24.24 H new ATOM 0 HB2 ASP A 104 36.830 -36.571 -75.768 1.00 75.33 H new ATOM 0 HB3 ASP A 104 36.955 -38.010 -76.761 1.00 75.33 H new ATOM 1565 N GLU A 105 34.449 -39.344 -77.440 1.00 62.22 N ATOM 1566 CA GLU A 105 34.058 -40.420 -78.344 1.00 5.12 C ATOM 1567 C GLU A 105 32.784 -40.058 -79.101 1.00 33.52 C ATOM 1568 O GLU A 105 32.585 -40.479 -80.241 1.00 10.12 O ATOM 1569 CB GLU A 105 33.851 -41.720 -77.565 1.00 33.33 C ATOM 1570 CG GLU A 105 32.510 -41.797 -76.854 1.00 52.43 C ATOM 1571 CD GLU A 105 32.563 -42.641 -75.596 1.00 25.01 C ATOM 1572 OE1 GLU A 105 33.532 -42.490 -74.822 1.00 13.23 O ATOM 1573 OE2 GLU A 105 31.638 -43.453 -75.385 1.00 43.34 O ATOM 0 H GLU A 105 34.585 -39.634 -76.472 1.00 62.22 H new ATOM 0 HA GLU A 105 34.861 -40.563 -79.067 1.00 5.12 H new ATOM 0 HB2 GLU A 105 33.938 -42.563 -78.251 1.00 33.33 H new ATOM 0 HB3 GLU A 105 34.649 -41.824 -76.830 1.00 33.33 H new ATOM 0 HG2 GLU A 105 32.181 -40.790 -76.597 1.00 52.43 H new ATOM 0 HG3 GLU A 105 31.766 -42.212 -77.534 1.00 52.43 H new ATOM 1580 N PHE A 106 31.923 -39.277 -78.458 1.00 55.41 N ATOM 1581 CA PHE A 106 30.666 -38.859 -79.069 1.00 32.31 C ATOM 1582 C PHE A 106 30.920 -38.007 -80.309 1.00 24.31 C ATOM 1583 O PHE A 106 30.255 -38.165 -81.333 1.00 31.24 O ATOM 1584 CB PHE A 106 29.821 -38.076 -78.063 1.00 14.44 C ATOM 1585 CG PHE A 106 28.366 -38.001 -78.431 1.00 23.24 C ATOM 1586 CD1 PHE A 106 27.924 -37.096 -79.382 1.00 62.31 C ATOM 1587 CD2 PHE A 106 27.441 -38.836 -77.824 1.00 42.15 C ATOM 1588 CE1 PHE A 106 26.587 -37.025 -79.723 1.00 74.53 C ATOM 1589 CE2 PHE A 106 26.103 -38.770 -78.162 1.00 14.01 C ATOM 1590 CZ PHE A 106 25.675 -37.863 -79.112 1.00 14.25 C ATOM 0 H PHE A 106 32.072 -38.920 -77.514 1.00 55.41 H new ATOM 0 HA PHE A 106 30.123 -39.754 -79.371 1.00 32.31 H new ATOM 0 HB2 PHE A 106 29.916 -38.541 -77.082 1.00 14.44 H new ATOM 0 HB3 PHE A 106 30.218 -37.065 -77.976 1.00 14.44 H new ATOM 0 HD1 PHE A 106 28.633 -36.438 -79.863 1.00 62.31 H new ATOM 0 HD2 PHE A 106 27.770 -39.546 -77.079 1.00 42.15 H new ATOM 0 HE1 PHE A 106 26.256 -36.315 -80.466 1.00 74.53 H new ATOM 0 HE2 PHE A 106 25.392 -39.427 -77.684 1.00 14.01 H new ATOM 0 HZ PHE A 106 24.629 -37.809 -79.376 1.00 14.25 H new ATOM 1600 N LYS A 107 31.888 -37.103 -80.209 1.00 45.42 N ATOM 1601 CA LYS A 107 32.234 -36.225 -81.321 1.00 55.21 C ATOM 1602 C LYS A 107 32.721 -37.032 -82.520 1.00 43.42 C ATOM 1603 O LYS A 107 32.744 -36.536 -83.646 1.00 54.42 O ATOM 1604 CB LYS A 107 33.310 -35.225 -80.893 1.00 64.14 C ATOM 1605 CG LYS A 107 33.890 -34.425 -82.047 1.00 24.21 C ATOM 1606 CD LYS A 107 34.280 -33.022 -81.612 1.00 72.25 C ATOM 1607 CE LYS A 107 35.766 -32.926 -81.306 1.00 24.02 C ATOM 1608 NZ LYS A 107 36.512 -32.228 -82.389 1.00 43.04 N ATOM 0 H LYS A 107 32.448 -36.959 -79.369 1.00 45.42 H new ATOM 0 HA LYS A 107 31.337 -35.679 -81.613 1.00 55.21 H new ATOM 0 HB2 LYS A 107 32.885 -34.537 -80.162 1.00 64.14 H new ATOM 0 HB3 LYS A 107 34.116 -35.763 -80.393 1.00 64.14 H new ATOM 0 HG2 LYS A 107 34.764 -34.940 -82.445 1.00 24.21 H new ATOM 0 HG3 LYS A 107 33.160 -34.367 -82.854 1.00 24.21 H new ATOM 0 HD2 LYS A 107 34.023 -32.312 -82.398 1.00 72.25 H new ATOM 0 HD3 LYS A 107 33.707 -32.741 -80.728 1.00 72.25 H new ATOM 0 HE2 LYS A 107 35.909 -32.394 -80.365 1.00 24.02 H new ATOM 0 HE3 LYS A 107 36.174 -33.928 -81.171 1.00 24.02 H new ATOM 0 HZ1 LYS A 107 37.521 -32.183 -82.142 1.00 43.04 H new ATOM 0 HZ2 LYS A 107 36.397 -32.749 -83.282 1.00 43.04 H new ATOM 0 HZ3 LYS A 107 36.140 -31.263 -82.501 1.00 43.04 H new ATOM 1622 N ALA A 108 33.110 -38.278 -82.271 1.00 10.34 N ATOM 1623 CA ALA A 108 33.594 -39.154 -83.330 1.00 53.24 C ATOM 1624 C ALA A 108 32.436 -39.848 -84.040 1.00 42.43 C ATOM 1625 O ALA A 108 32.457 -40.023 -85.258 1.00 3.12 O ATOM 1626 CB ALA A 108 34.561 -40.183 -82.764 1.00 40.21 C ATOM 0 H ALA A 108 33.099 -38.704 -81.344 1.00 10.34 H new ATOM 0 HA ALA A 108 34.121 -38.541 -84.062 1.00 53.24 H new ATOM 0 HB1 ALA A 108 34.914 -40.830 -83.567 1.00 40.21 H new ATOM 0 HB2 ALA A 108 35.410 -39.673 -82.309 1.00 40.21 H new ATOM 0 HB3 ALA A 108 34.053 -40.784 -82.010 1.00 40.21 H new ATOM 1632 N GLY A 109 31.426 -40.242 -83.270 1.00 42.53 N ATOM 1633 CA GLY A 109 30.274 -40.913 -83.844 1.00 3.34 C ATOM 1634 C GLY A 109 30.256 -42.397 -83.536 1.00 52.02 C ATOM 1635 O GLY A 109 29.283 -43.089 -83.840 1.00 22.44 O ATOM 0 H GLY A 109 31.385 -40.109 -82.260 1.00 42.53 H new ATOM 0 HA2 GLY A 109 29.362 -40.454 -83.462 1.00 3.34 H new ATOM 0 HA3 GLY A 109 30.274 -40.769 -84.924 1.00 3.34 H new ATOM 1639 N LEU A 110 31.333 -42.888 -82.934 1.00 62.22 N ATOM 1640 CA LEU A 110 31.438 -44.301 -82.587 1.00 22.22 C ATOM 1641 C LEU A 110 31.624 -44.480 -81.083 1.00 71.05 C ATOM 1642 O LEU A 110 32.307 -43.688 -80.433 1.00 55.10 O ATOM 1643 CB LEU A 110 32.605 -44.946 -83.337 1.00 4.43 C ATOM 1644 CG LEU A 110 33.831 -44.059 -83.560 1.00 52.15 C ATOM 1645 CD1 LEU A 110 33.534 -42.991 -84.602 1.00 10.13 C ATOM 1646 CD2 LEU A 110 34.274 -43.422 -82.252 1.00 2.34 C ATOM 0 H LEU A 110 32.146 -42.329 -82.676 1.00 62.22 H new ATOM 0 HA LEU A 110 30.510 -44.792 -82.881 1.00 22.22 H new ATOM 0 HB2 LEU A 110 32.918 -45.833 -82.787 1.00 4.43 H new ATOM 0 HB3 LEU A 110 32.244 -45.284 -84.308 1.00 4.43 H new ATOM 0 HG LEU A 110 34.645 -44.683 -83.930 1.00 52.15 H new ATOM 0 HD11 LEU A 110 34.417 -42.369 -84.748 1.00 10.13 H new ATOM 0 HD12 LEU A 110 33.266 -43.467 -85.545 1.00 10.13 H new ATOM 0 HD13 LEU A 110 32.706 -42.370 -84.261 1.00 10.13 H new ATOM 0 HD21 LEU A 110 35.147 -42.795 -82.430 1.00 2.34 H new ATOM 0 HD22 LEU A 110 33.464 -42.812 -81.852 1.00 2.34 H new ATOM 0 HD23 LEU A 110 34.528 -44.203 -81.535 1.00 2.34 H new ATOM 1658 N HIS A 111 31.014 -45.527 -80.537 1.00 73.14 N ATOM 1659 CA HIS A 111 31.114 -45.812 -79.110 1.00 41.04 C ATOM 1660 C HIS A 111 32.574 -45.914 -78.678 1.00 52.12 C ATOM 1661 O HIS A 111 33.484 -45.799 -79.499 1.00 35.51 O ATOM 1662 CB HIS A 111 30.379 -47.110 -78.775 1.00 11.11 C ATOM 1663 CG HIS A 111 29.346 -46.953 -77.702 1.00 21.13 C ATOM 1664 ND1 HIS A 111 28.202 -46.200 -77.862 1.00 60.24 N ATOM 1665 CD2 HIS A 111 29.289 -47.459 -76.448 1.00 34.04 C ATOM 1666 CE1 HIS A 111 27.486 -46.248 -76.753 1.00 64.51 C ATOM 1667 NE2 HIS A 111 28.124 -47.006 -75.879 1.00 34.42 N ATOM 0 H HIS A 111 30.445 -46.192 -81.061 1.00 73.14 H new ATOM 0 HA HIS A 111 30.649 -44.990 -78.567 1.00 41.04 H new ATOM 0 HB2 HIS A 111 29.899 -47.490 -79.677 1.00 11.11 H new ATOM 0 HB3 HIS A 111 31.106 -47.859 -78.461 1.00 11.11 H new ATOM 0 HD2 HIS A 111 30.023 -48.100 -75.982 1.00 34.04 H new ATOM 0 HE1 HIS A 111 26.541 -45.752 -76.589 1.00 64.51 H new ATOM 0 HE2 HIS A 111 27.803 -47.220 -74.935 1.00 34.42 H new ATOM 1675 N ALA A 112 32.789 -46.129 -77.384 1.00 42.05 N ATOM 1676 CA ALA A 112 34.138 -46.247 -76.844 1.00 33.40 C ATOM 1677 C ALA A 112 34.268 -47.483 -75.960 1.00 63.43 C ATOM 1678 O ALA A 112 33.270 -48.036 -75.496 1.00 50.40 O ATOM 1679 CB ALA A 112 34.504 -44.995 -76.061 1.00 63.41 C ATOM 0 H ALA A 112 32.047 -46.225 -76.691 1.00 42.05 H new ATOM 0 HA ALA A 112 34.830 -46.355 -77.679 1.00 33.40 H new ATOM 0 HB1 ALA A 112 35.514 -45.097 -75.663 1.00 63.41 H new ATOM 0 HB2 ALA A 112 34.459 -44.128 -76.720 1.00 63.41 H new ATOM 0 HB3 ALA A 112 33.802 -44.862 -75.238 1.00 63.41 H new ATOM 1685 N LEU A 113 35.504 -47.914 -75.732 1.00 2.50 N ATOM 1686 CA LEU A 113 35.766 -49.086 -74.904 1.00 14.32 C ATOM 1687 C LEU A 113 36.681 -48.734 -73.736 1.00 10.15 C ATOM 1688 O LEU A 113 37.742 -48.139 -73.923 1.00 13.34 O ATOM 1689 CB LEU A 113 36.396 -50.198 -75.744 1.00 3.32 C ATOM 1690 CG LEU A 113 37.577 -49.786 -76.623 1.00 65.55 C ATOM 1691 CD1 LEU A 113 38.864 -50.425 -76.123 1.00 33.12 C ATOM 1692 CD2 LEU A 113 37.320 -50.168 -78.074 1.00 42.41 C ATOM 0 H LEU A 113 36.341 -47.469 -76.109 1.00 2.50 H new ATOM 0 HA LEU A 113 34.815 -49.437 -74.503 1.00 14.32 H new ATOM 0 HB2 LEU A 113 36.727 -50.990 -75.073 1.00 3.32 H new ATOM 0 HB3 LEU A 113 35.624 -50.625 -76.384 1.00 3.32 H new ATOM 0 HG LEU A 113 37.687 -48.703 -76.566 1.00 65.55 H new ATOM 0 HD11 LEU A 113 39.693 -50.120 -76.761 1.00 33.12 H new ATOM 0 HD12 LEU A 113 39.056 -50.103 -75.100 1.00 33.12 H new ATOM 0 HD13 LEU A 113 38.766 -51.510 -76.150 1.00 33.12 H new ATOM 0 HD21 LEU A 113 38.171 -49.867 -78.686 1.00 42.41 H new ATOM 0 HD22 LEU A 113 37.184 -51.247 -78.148 1.00 42.41 H new ATOM 0 HD23 LEU A 113 36.421 -49.664 -78.429 1.00 42.41 H new ATOM 1704 N ALA A 114 36.264 -49.108 -72.530 1.00 40.13 N ATOM 1705 CA ALA A 114 37.048 -48.836 -71.332 1.00 42.22 C ATOM 1706 C ALA A 114 37.113 -50.062 -70.428 1.00 62.23 C ATOM 1707 O ALA A 114 36.125 -50.778 -70.265 1.00 43.43 O ATOM 1708 CB ALA A 114 36.464 -47.651 -70.577 1.00 31.33 C ATOM 0 H ALA A 114 35.387 -49.600 -72.358 1.00 40.13 H new ATOM 0 HA ALA A 114 38.064 -48.591 -71.641 1.00 42.22 H new ATOM 0 HB1 ALA A 114 37.059 -47.459 -69.684 1.00 31.33 H new ATOM 0 HB2 ALA A 114 36.476 -46.769 -71.218 1.00 31.33 H new ATOM 0 HB3 ALA A 114 35.437 -47.875 -70.287 1.00 31.33 H new ATOM 1714 N MET A 115 38.283 -50.299 -69.844 1.00 31.35 N ATOM 1715 CA MET A 115 38.476 -51.440 -68.955 1.00 54.24 C ATOM 1716 C MET A 115 39.377 -51.069 -67.782 1.00 15.22 C ATOM 1717 O MET A 115 40.526 -50.668 -67.970 1.00 14.42 O ATOM 1718 CB MET A 115 39.079 -52.616 -69.725 1.00 23.31 C ATOM 1719 CG MET A 115 40.153 -52.205 -70.719 1.00 71.24 C ATOM 1720 SD MET A 115 39.496 -51.925 -72.375 1.00 33.51 S ATOM 1721 CE MET A 115 39.456 -53.600 -73.011 1.00 13.54 C ATOM 0 H MET A 115 39.111 -49.717 -69.970 1.00 31.35 H new ATOM 0 HA MET A 115 37.502 -51.733 -68.563 1.00 54.24 H new ATOM 0 HB2 MET A 115 39.505 -53.325 -69.015 1.00 23.31 H new ATOM 0 HB3 MET A 115 38.283 -53.137 -70.257 1.00 23.31 H new ATOM 0 HG2 MET A 115 40.640 -51.295 -70.367 1.00 71.24 H new ATOM 0 HG3 MET A 115 40.918 -52.980 -70.762 1.00 71.24 H new ATOM 0 HE1 MET A 115 39.071 -53.593 -74.031 1.00 13.54 H new ATOM 0 HE2 MET A 115 40.464 -54.015 -73.006 1.00 13.54 H new ATOM 0 HE3 MET A 115 38.809 -54.212 -72.383 1.00 13.54 H new ATOM 1731 N THR A 116 38.848 -51.205 -66.569 1.00 50.15 N ATOM 1732 CA THR A 116 39.604 -50.883 -65.366 1.00 13.33 C ATOM 1733 C THR A 116 40.007 -52.147 -64.615 1.00 12.42 C ATOM 1734 O THR A 116 39.173 -53.010 -64.338 1.00 3.24 O ATOM 1735 CB THR A 116 38.795 -49.974 -64.421 1.00 13.01 C ATOM 1736 OG1 THR A 116 39.465 -49.856 -63.161 1.00 63.22 O ATOM 1737 CG2 THR A 116 37.394 -50.527 -64.206 1.00 21.22 C ATOM 0 H THR A 116 37.899 -51.536 -66.395 1.00 50.15 H new ATOM 0 HA THR A 116 40.501 -50.354 -65.688 1.00 13.33 H new ATOM 0 HB THR A 116 38.713 -48.990 -64.882 1.00 13.01 H new ATOM 0 HG1 THR A 116 39.180 -50.583 -62.570 1.00 63.22 H new ATOM 0 HG21 THR A 116 36.842 -49.868 -63.536 1.00 21.22 H new ATOM 0 HG22 THR A 116 36.876 -50.588 -65.163 1.00 21.22 H new ATOM 0 HG23 THR A 116 37.459 -51.522 -63.765 1.00 21.22 H new ATOM 1745 N THR A 117 41.291 -52.250 -64.287 1.00 20.34 N ATOM 1746 CA THR A 117 41.805 -53.409 -63.568 1.00 30.32 C ATOM 1747 C THR A 117 42.444 -52.998 -62.246 1.00 52.23 C ATOM 1748 O THR A 117 43.528 -52.414 -62.224 1.00 34.03 O ATOM 1749 CB THR A 117 42.842 -54.178 -64.409 1.00 13.41 C ATOM 1750 OG1 THR A 117 43.922 -54.614 -63.576 1.00 51.22 O ATOM 1751 CG2 THR A 117 43.381 -53.305 -65.532 1.00 41.02 C ATOM 0 H THR A 117 41.994 -51.545 -64.508 1.00 20.34 H new ATOM 0 HA THR A 117 40.954 -54.060 -63.370 1.00 30.32 H new ATOM 0 HB THR A 117 42.350 -55.046 -64.849 1.00 13.41 H new ATOM 0 HG1 THR A 117 44.576 -55.103 -64.118 1.00 51.22 H new ATOM 0 HG21 THR A 117 44.111 -53.869 -66.112 1.00 41.02 H new ATOM 0 HG22 THR A 117 42.560 -52.999 -66.181 1.00 41.02 H new ATOM 0 HG23 THR A 117 43.858 -52.421 -65.109 1.00 41.02 H new ATOM 1759 N LYS A 118 41.766 -53.306 -61.146 1.00 24.13 N ATOM 1760 CA LYS A 118 42.268 -52.970 -59.818 1.00 62.45 C ATOM 1761 C LYS A 118 42.126 -54.155 -58.868 1.00 1.55 C ATOM 1762 O LYS A 118 41.159 -54.913 -58.943 1.00 72.03 O ATOM 1763 CB LYS A 118 41.518 -51.760 -59.258 1.00 41.12 C ATOM 1764 CG LYS A 118 41.873 -51.438 -57.817 1.00 22.01 C ATOM 1765 CD LYS A 118 40.779 -51.882 -56.861 1.00 0.14 C ATOM 1766 CE LYS A 118 39.961 -50.700 -56.362 1.00 62.33 C ATOM 1767 NZ LYS A 118 40.681 -49.932 -55.309 1.00 62.12 N ATOM 0 H LYS A 118 40.867 -53.788 -61.147 1.00 24.13 H new ATOM 0 HA LYS A 118 43.326 -52.723 -59.908 1.00 62.45 H new ATOM 0 HB2 LYS A 118 41.733 -50.891 -59.879 1.00 41.12 H new ATOM 0 HB3 LYS A 118 40.446 -51.944 -59.327 1.00 41.12 H new ATOM 0 HG2 LYS A 118 42.809 -51.930 -57.553 1.00 22.01 H new ATOM 0 HG3 LYS A 118 42.036 -50.365 -57.712 1.00 22.01 H new ATOM 0 HD2 LYS A 118 40.123 -52.594 -57.362 1.00 0.14 H new ATOM 0 HD3 LYS A 118 41.224 -52.402 -56.013 1.00 0.14 H new ATOM 0 HE2 LYS A 118 39.729 -50.040 -57.198 1.00 62.33 H new ATOM 0 HE3 LYS A 118 39.011 -51.058 -55.965 1.00 62.33 H new ATOM 0 HZ1 LYS A 118 40.091 -49.135 -54.995 1.00 62.12 H new ATOM 0 HZ2 LYS A 118 40.880 -50.555 -54.500 1.00 62.12 H new ATOM 0 HZ3 LYS A 118 41.576 -49.569 -55.695 1.00 62.12 H new ATOM 1781 N THR A 119 43.096 -54.307 -57.971 1.00 34.33 N ATOM 1782 CA THR A 119 43.078 -55.399 -57.005 1.00 2.52 C ATOM 1783 C THR A 119 41.703 -55.543 -56.363 1.00 1.21 C ATOM 1784 O THR A 119 40.887 -54.621 -56.373 1.00 72.23 O ATOM 1785 CB THR A 119 44.129 -55.186 -55.899 1.00 31.35 C ATOM 1786 OG1 THR A 119 44.383 -53.788 -55.726 1.00 0.30 O ATOM 1787 CG2 THR A 119 45.426 -55.904 -56.239 1.00 70.42 C ATOM 0 H THR A 119 43.903 -53.688 -57.894 1.00 34.33 H new ATOM 0 HA THR A 119 43.317 -56.311 -57.553 1.00 2.52 H new ATOM 0 HB THR A 119 43.735 -55.600 -54.971 1.00 31.35 H new ATOM 0 HG1 THR A 119 45.051 -53.662 -55.020 1.00 0.30 H new ATOM 0 HG21 THR A 119 46.153 -55.739 -55.443 1.00 70.42 H new ATOM 0 HG22 THR A 119 45.235 -56.972 -56.340 1.00 70.42 H new ATOM 0 HG23 THR A 119 45.821 -55.516 -57.178 1.00 70.42 H new