USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 665 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 35 THR OG1 : rot 90:sc= -2.35! USER MOD Set 1.2: A 79 GLN : amide:sc= -0.335 K(o=-2.7,f=-4!) USER MOD Set 2.1: A 69 ASN : amide:sc= 1.62 K(o=2.7,f=2.1) USER MOD Set 2.2: A 75 SER OG : rot 168:sc= 1.04 USER MOD Set 3.1: A 53 THR OG1 : rot 76:sc= 0.905 USER MOD Set 3.2: A 91 TYR OH : rot -72:sc= 0.733 USER MOD Set 4.1: A 37 CYS SG : rot 180:sc= -1.76! USER MOD Set 4.2: A 109 SER OG : rot -144:sc= 0.161! USER MOD Single : A 34 THR OG1 : rot 100:sc= -0.856 USER MOD Single : A 38 TYR OH : rot 90:sc= -0.0024 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.04 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -165:sc= -0.0324 (180deg=-0.248) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 30:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= -3.88! USER MOD Single : A 68 ASN : amide:sc= -0.192 K(o=-0.19,f=-1.3) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -2.08! C(o=-2.1!,f=-3.9!) USER MOD Single : A 90 LYS NZ :NH3+ -123:sc= 0.604 (180deg=-0.89!) USER MOD Single : A 93 HIS :FLIP no HE2:sc= 0.0997 F(o=-0.71,f=0.1) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 116:sc= 1.2 USER MOD Single : A 98 LYS NZ :NH3+ -168:sc=-0.00712 (180deg=-0.0844) USER MOD Single : A 99 SER OG : rot 180:sc= -0.0186 USER MOD Single : A 102 LYS NZ :NH3+ -164:sc= -0.036 (180deg=-0.292) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS :FLIP no HD1:sc=-0.00293 F(o=-1.3!,f=-0.0029) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 450 N VAL A 33 26.644 -95.039 -9.053 1.00 64.33 N ATOM 451 CA VAL A 33 25.885 -93.895 -9.534 1.00 3.41 C ATOM 452 C VAL A 33 24.636 -93.695 -8.682 1.00 52.31 C ATOM 453 O VAL A 33 23.973 -94.663 -8.294 1.00 55.05 O ATOM 454 CB VAL A 33 25.485 -94.056 -11.023 1.00 32.24 C ATOM 455 CG1 VAL A 33 24.570 -95.263 -11.215 1.00 21.34 C ATOM 456 CG2 VAL A 33 24.834 -92.780 -11.559 1.00 54.35 C ATOM 0 HA VAL A 33 26.527 -93.018 -9.452 1.00 3.41 H new ATOM 0 HB VAL A 33 26.395 -94.231 -11.597 1.00 32.24 H new ATOM 0 HG11 VAL A 33 24.304 -95.354 -12.268 1.00 21.34 H new ATOM 0 HG12 VAL A 33 25.087 -96.167 -10.892 1.00 21.34 H new ATOM 0 HG13 VAL A 33 23.665 -95.131 -10.622 1.00 21.34 H new ATOM 0 HG21 VAL A 33 24.564 -92.921 -12.605 1.00 54.35 H new ATOM 0 HG22 VAL A 33 23.938 -92.558 -10.980 1.00 54.35 H new ATOM 0 HG23 VAL A 33 25.536 -91.950 -11.475 1.00 54.35 H new ATOM 466 N THR A 34 24.334 -92.445 -8.370 1.00 32.15 N ATOM 467 CA THR A 34 23.143 -92.100 -7.614 1.00 71.11 C ATOM 468 C THR A 34 22.010 -91.740 -8.571 1.00 2.24 C ATOM 469 O THR A 34 22.258 -91.206 -9.653 1.00 60.35 O ATOM 470 CB THR A 34 23.436 -90.915 -6.670 1.00 3.00 C ATOM 471 OG1 THR A 34 24.628 -91.186 -5.921 1.00 50.55 O ATOM 472 CG2 THR A 34 22.276 -90.662 -5.711 1.00 1.10 C ATOM 0 H THR A 34 24.907 -91.643 -8.633 1.00 32.15 H new ATOM 0 HA THR A 34 22.843 -92.959 -7.013 1.00 71.11 H new ATOM 0 HB THR A 34 23.570 -90.021 -7.279 1.00 3.00 H new ATOM 0 HG1 THR A 34 25.384 -90.713 -6.327 1.00 50.55 H new ATOM 0 HG21 THR A 34 22.518 -89.821 -5.062 1.00 1.10 H new ATOM 0 HG22 THR A 34 21.376 -90.433 -6.281 1.00 1.10 H new ATOM 0 HG23 THR A 34 22.105 -91.551 -5.104 1.00 1.10 H new ATOM 480 N THR A 35 20.779 -92.062 -8.194 1.00 71.32 N ATOM 481 CA THR A 35 19.605 -91.728 -8.997 1.00 44.34 C ATOM 482 C THR A 35 18.410 -91.452 -8.095 1.00 64.43 C ATOM 483 O THR A 35 18.176 -92.175 -7.128 1.00 74.11 O ATOM 484 CB THR A 35 19.249 -92.864 -9.992 1.00 51.43 C ATOM 485 OG1 THR A 35 20.323 -93.047 -10.929 1.00 13.30 O ATOM 486 CG2 THR A 35 17.944 -92.569 -10.747 1.00 62.32 C ATOM 0 H THR A 35 20.565 -92.559 -7.329 1.00 71.32 H new ATOM 0 HA THR A 35 19.847 -90.834 -9.571 1.00 44.34 H new ATOM 0 HB THR A 35 19.103 -93.778 -9.416 1.00 51.43 H new ATOM 0 HG1 THR A 35 20.957 -93.705 -10.575 1.00 13.30 H new ATOM 0 HG21 THR A 35 17.728 -93.387 -11.434 1.00 62.32 H new ATOM 0 HG22 THR A 35 17.126 -92.469 -10.034 1.00 62.32 H new ATOM 0 HG23 THR A 35 18.051 -91.641 -11.309 1.00 62.32 H new ATOM 494 N LEU A 36 17.686 -90.378 -8.392 1.00 13.40 N ATOM 495 CA LEU A 36 16.433 -90.070 -7.719 1.00 32.23 C ATOM 496 C LEU A 36 15.494 -89.373 -8.695 1.00 30.20 C ATOM 497 O LEU A 36 15.939 -88.590 -9.537 1.00 35.32 O ATOM 498 CB LEU A 36 16.643 -89.179 -6.477 1.00 70.33 C ATOM 499 CG LEU A 36 17.440 -89.815 -5.317 1.00 3.23 C ATOM 500 CD1 LEU A 36 18.909 -89.400 -5.364 1.00 10.31 C ATOM 501 CD2 LEU A 36 16.816 -89.470 -3.966 1.00 4.14 C ATOM 0 H LEU A 36 17.952 -89.699 -9.105 1.00 13.40 H new ATOM 0 HA LEU A 36 15.999 -91.010 -7.379 1.00 32.23 H new ATOM 0 HB2 LEU A 36 17.156 -88.269 -6.789 1.00 70.33 H new ATOM 0 HB3 LEU A 36 15.665 -88.880 -6.099 1.00 70.33 H new ATOM 0 HG LEU A 36 17.396 -90.897 -5.439 1.00 3.23 H new ATOM 0 HD11 LEU A 36 19.445 -89.863 -4.535 1.00 10.31 H new ATOM 0 HD12 LEU A 36 19.349 -89.725 -6.307 1.00 10.31 H new ATOM 0 HD13 LEU A 36 18.983 -88.316 -5.283 1.00 10.31 H new ATOM 0 HD21 LEU A 36 17.398 -89.931 -3.168 1.00 4.14 H new ATOM 0 HD22 LEU A 36 16.811 -88.388 -3.833 1.00 4.14 H new ATOM 0 HD23 LEU A 36 15.793 -89.844 -3.932 1.00 4.14 H new ATOM 513 N CYS A 37 14.203 -89.675 -8.600 1.00 71.23 N ATOM 514 CA CYS A 37 13.204 -89.018 -9.451 1.00 40.31 C ATOM 515 C CYS A 37 12.700 -87.748 -8.775 1.00 32.44 C ATOM 516 O CYS A 37 12.542 -87.708 -7.555 1.00 34.41 O ATOM 517 CB CYS A 37 12.022 -89.944 -9.767 1.00 1.21 C ATOM 518 SG CYS A 37 12.479 -91.499 -10.562 1.00 21.43 S ATOM 0 H CYS A 37 13.822 -90.363 -7.951 1.00 71.23 H new ATOM 0 HA CYS A 37 13.689 -88.766 -10.394 1.00 40.31 H new ATOM 0 HB2 CYS A 37 11.493 -90.166 -8.840 1.00 1.21 H new ATOM 0 HB3 CYS A 37 11.323 -89.412 -10.413 1.00 1.21 H new ATOM 0 HG CYS A 37 11.410 -92.205 -10.782 1.00 21.43 H new ATOM 524 N TYR A 38 12.449 -86.718 -9.573 1.00 44.52 N ATOM 525 CA TYR A 38 11.997 -85.429 -9.065 1.00 13.14 C ATOM 526 C TYR A 38 10.556 -85.181 -9.497 1.00 33.50 C ATOM 527 O TYR A 38 10.174 -85.492 -10.626 1.00 34.40 O ATOM 528 CB TYR A 38 12.894 -84.296 -9.596 1.00 2.52 C ATOM 529 CG TYR A 38 14.329 -84.314 -9.082 1.00 51.01 C ATOM 530 CD1 TYR A 38 15.065 -85.492 -9.021 1.00 5.21 C ATOM 531 CD2 TYR A 38 14.951 -83.140 -8.668 1.00 74.21 C ATOM 532 CE1 TYR A 38 16.367 -85.500 -8.564 1.00 42.41 C ATOM 533 CE2 TYR A 38 16.257 -83.140 -8.217 1.00 41.03 C ATOM 534 CZ TYR A 38 16.960 -84.324 -8.166 1.00 0.42 C ATOM 535 OH TYR A 38 18.264 -84.330 -7.731 1.00 72.24 O ATOM 0 H TYR A 38 12.553 -86.752 -10.587 1.00 44.52 H new ATOM 0 HA TYR A 38 12.055 -85.445 -7.977 1.00 13.14 H new ATOM 0 HB2 TYR A 38 12.913 -84.349 -10.685 1.00 2.52 H new ATOM 0 HB3 TYR A 38 12.441 -83.340 -9.331 1.00 2.52 H new ATOM 0 HD1 TYR A 38 14.609 -86.418 -9.337 1.00 5.21 H new ATOM 0 HD2 TYR A 38 14.402 -82.210 -8.700 1.00 74.21 H new ATOM 0 HE1 TYR A 38 16.919 -86.427 -8.519 1.00 42.41 H new ATOM 0 HE2 TYR A 38 16.724 -82.217 -7.906 1.00 41.03 H new ATOM 0 HH TYR A 38 18.864 -84.186 -8.493 1.00 72.24 H new ATOM 545 N ARG A 39 9.763 -84.636 -8.585 1.00 41.31 N ATOM 546 CA ARG A 39 8.378 -84.272 -8.858 1.00 13.40 C ATOM 547 C ARG A 39 8.025 -83.033 -8.042 1.00 14.02 C ATOM 548 O ARG A 39 7.961 -83.090 -6.814 1.00 25.40 O ATOM 549 CB ARG A 39 7.439 -85.437 -8.505 1.00 74.33 C ATOM 550 CG ARG A 39 5.959 -85.128 -8.710 1.00 12.21 C ATOM 551 CD ARG A 39 5.076 -86.291 -8.270 1.00 54.31 C ATOM 552 NE ARG A 39 3.655 -85.930 -8.263 1.00 25.32 N ATOM 553 CZ ARG A 39 2.865 -86.022 -7.189 1.00 14.22 C ATOM 554 NH1 ARG A 39 3.333 -86.526 -6.052 1.00 32.13 N ATOM 555 NH2 ARG A 39 1.603 -85.627 -7.261 1.00 64.21 N ATOM 0 H ARG A 39 10.062 -84.433 -7.631 1.00 41.31 H new ATOM 0 HA ARG A 39 8.258 -84.055 -9.919 1.00 13.40 H new ATOM 0 HB2 ARG A 39 7.706 -86.302 -9.112 1.00 74.33 H new ATOM 0 HB3 ARG A 39 7.600 -85.717 -7.464 1.00 74.33 H new ATOM 0 HG2 ARG A 39 5.692 -84.234 -8.146 1.00 12.21 H new ATOM 0 HG3 ARG A 39 5.775 -84.908 -9.762 1.00 12.21 H new ATOM 0 HD2 ARG A 39 5.232 -87.138 -8.939 1.00 54.31 H new ATOM 0 HD3 ARG A 39 5.373 -86.614 -7.272 1.00 54.31 H new ATOM 0 HE ARG A 39 3.244 -85.587 -9.131 1.00 25.32 H new ATOM 0 HH11 ARG A 39 4.300 -86.845 -5.996 1.00 32.13 H new ATOM 0 HH12 ARG A 39 2.725 -86.594 -5.236 1.00 32.13 H new ATOM 0 HH21 ARG A 39 1.235 -85.253 -8.136 1.00 64.21 H new ATOM 0 HH22 ARG A 39 0.999 -85.697 -6.442 1.00 64.21 H new ATOM 569 N VAL A 40 7.823 -81.911 -8.721 1.00 72.34 N ATOM 570 CA VAL A 40 7.569 -80.646 -8.047 1.00 72.44 C ATOM 571 C VAL A 40 6.270 -80.014 -8.541 1.00 70.43 C ATOM 572 O VAL A 40 5.895 -80.140 -9.714 1.00 61.43 O ATOM 573 CB VAL A 40 8.739 -79.648 -8.252 1.00 33.24 C ATOM 574 CG1 VAL A 40 8.819 -79.199 -9.706 1.00 32.30 C ATOM 575 CG2 VAL A 40 8.613 -78.442 -7.314 1.00 22.25 C ATOM 0 H VAL A 40 7.830 -81.852 -9.739 1.00 72.34 H new ATOM 0 HA VAL A 40 7.479 -80.864 -6.983 1.00 72.44 H new ATOM 0 HB VAL A 40 9.665 -80.166 -8.004 1.00 33.24 H new ATOM 0 HG11 VAL A 40 9.647 -78.500 -9.826 1.00 32.30 H new ATOM 0 HG12 VAL A 40 8.981 -80.066 -10.346 1.00 32.30 H new ATOM 0 HG13 VAL A 40 7.887 -78.709 -9.987 1.00 32.30 H new ATOM 0 HG21 VAL A 40 9.448 -77.761 -7.482 1.00 22.25 H new ATOM 0 HG22 VAL A 40 7.676 -77.923 -7.513 1.00 22.25 H new ATOM 0 HG23 VAL A 40 8.626 -78.783 -6.279 1.00 22.25 H new ATOM 585 N THR A 41 5.593 -79.347 -7.623 1.00 2.24 N ATOM 586 CA THR A 41 4.396 -78.582 -7.910 1.00 62.42 C ATOM 587 C THR A 41 4.670 -77.126 -7.557 1.00 74.20 C ATOM 588 O THR A 41 5.233 -76.838 -6.494 1.00 2.33 O ATOM 589 CB THR A 41 3.187 -79.102 -7.091 1.00 55.34 C ATOM 590 OG1 THR A 41 3.526 -79.154 -5.698 1.00 61.12 O ATOM 591 CG2 THR A 41 2.753 -80.487 -7.561 1.00 64.10 C ATOM 0 H THR A 41 5.866 -79.322 -6.640 1.00 2.24 H new ATOM 0 HA THR A 41 4.147 -78.684 -8.966 1.00 62.42 H new ATOM 0 HB THR A 41 2.357 -78.412 -7.244 1.00 55.34 H new ATOM 0 HG1 THR A 41 2.757 -79.482 -5.186 1.00 61.12 H new ATOM 0 HG21 THR A 41 1.903 -80.823 -6.967 1.00 64.10 H new ATOM 0 HG22 THR A 41 2.466 -80.441 -8.611 1.00 64.10 H new ATOM 0 HG23 THR A 41 3.579 -81.187 -7.441 1.00 64.10 H new ATOM 599 N GLY A 42 4.321 -76.207 -8.446 1.00 41.40 N ATOM 600 CA GLY A 42 4.619 -74.816 -8.200 1.00 24.42 C ATOM 601 C GLY A 42 3.882 -73.878 -9.118 1.00 40.24 C ATOM 602 O GLY A 42 3.401 -74.274 -10.181 1.00 32.35 O ATOM 0 H GLY A 42 3.841 -76.400 -9.325 1.00 41.40 H new ATOM 0 HA2 GLY A 42 4.367 -74.575 -7.167 1.00 24.42 H new ATOM 0 HA3 GLY A 42 5.691 -74.656 -8.313 1.00 24.42 H new ATOM 684 N PHE A 48 8.782 -74.083 -16.833 1.00 44.21 N ATOM 685 CA PHE A 48 9.724 -74.277 -15.731 1.00 43.23 C ATOM 686 C PHE A 48 11.136 -73.877 -16.174 1.00 63.04 C ATOM 687 O PHE A 48 11.936 -74.731 -16.551 1.00 45.54 O ATOM 688 CB PHE A 48 9.680 -75.739 -15.244 1.00 61.12 C ATOM 689 CG PHE A 48 10.577 -76.046 -14.061 1.00 53.24 C ATOM 690 CD1 PHE A 48 10.207 -75.674 -12.773 1.00 42.11 C ATOM 691 CD2 PHE A 48 11.782 -76.717 -14.236 1.00 54.45 C ATOM 692 CE1 PHE A 48 11.022 -75.960 -11.692 1.00 23.41 C ATOM 693 CE2 PHE A 48 12.596 -77.006 -13.157 1.00 23.53 C ATOM 694 CZ PHE A 48 12.217 -76.627 -11.885 1.00 52.33 C ATOM 0 HA PHE A 48 9.438 -73.639 -14.895 1.00 43.23 H new ATOM 0 HB2 PHE A 48 8.653 -75.986 -14.976 1.00 61.12 H new ATOM 0 HB3 PHE A 48 9.959 -76.391 -16.072 1.00 61.12 H new ATOM 0 HD1 PHE A 48 9.273 -75.156 -12.615 1.00 42.11 H new ATOM 0 HD2 PHE A 48 12.086 -77.016 -15.228 1.00 54.45 H new ATOM 0 HE1 PHE A 48 10.724 -75.662 -10.698 1.00 23.41 H new ATOM 0 HE2 PHE A 48 13.529 -77.529 -13.309 1.00 23.53 H new ATOM 0 HZ PHE A 48 12.853 -76.851 -11.042 1.00 52.33 H new ATOM 704 N PHE A 49 11.370 -72.554 -16.178 1.00 15.34 N ATOM 705 CA PHE A 49 12.660 -71.919 -16.512 1.00 4.40 C ATOM 706 C PHE A 49 13.751 -72.901 -16.969 1.00 62.32 C ATOM 707 O PHE A 49 14.673 -73.238 -16.214 1.00 1.00 O ATOM 708 CB PHE A 49 13.146 -71.078 -15.318 1.00 33.40 C ATOM 709 CG PHE A 49 12.849 -71.704 -13.975 1.00 61.25 C ATOM 710 CD1 PHE A 49 13.694 -72.660 -13.429 1.00 2.54 C ATOM 711 CD2 PHE A 49 11.717 -71.332 -13.261 1.00 61.52 C ATOM 712 CE1 PHE A 49 13.414 -73.231 -12.204 1.00 70.11 C ATOM 713 CE2 PHE A 49 11.434 -71.903 -12.035 1.00 52.45 C ATOM 714 CZ PHE A 49 12.285 -72.850 -11.505 1.00 63.23 C ATOM 0 H PHE A 49 10.646 -71.875 -15.942 1.00 15.34 H new ATOM 0 HA PHE A 49 12.475 -71.279 -17.375 1.00 4.40 H new ATOM 0 HB2 PHE A 49 14.221 -70.923 -15.407 1.00 33.40 H new ATOM 0 HB3 PHE A 49 12.678 -70.095 -15.363 1.00 33.40 H new ATOM 0 HD1 PHE A 49 14.580 -72.960 -13.968 1.00 2.54 H new ATOM 0 HD2 PHE A 49 11.050 -70.587 -13.669 1.00 61.52 H new ATOM 0 HE1 PHE A 49 14.078 -73.976 -11.792 1.00 70.11 H new ATOM 0 HE2 PHE A 49 10.548 -71.608 -11.493 1.00 52.45 H new ATOM 0 HZ PHE A 49 12.069 -73.293 -10.544 1.00 63.23 H new ATOM 724 N ARG A 50 13.644 -73.353 -18.219 1.00 20.24 N ATOM 725 CA ARG A 50 14.625 -74.277 -18.782 1.00 11.11 C ATOM 726 C ARG A 50 15.982 -73.588 -18.896 1.00 62.02 C ATOM 727 O ARG A 50 17.011 -74.243 -18.995 1.00 13.04 O ATOM 728 CB ARG A 50 14.170 -74.798 -20.155 1.00 4.24 C ATOM 729 CG ARG A 50 15.041 -75.930 -20.701 1.00 63.42 C ATOM 730 CD ARG A 50 14.564 -76.418 -22.065 1.00 31.41 C ATOM 731 NE ARG A 50 15.360 -77.548 -22.558 1.00 52.04 N ATOM 732 CZ ARG A 50 15.462 -77.896 -23.844 1.00 22.45 C ATOM 733 NH1 ARG A 50 14.825 -77.203 -24.784 1.00 12.14 N ATOM 734 NH2 ARG A 50 16.199 -78.942 -24.186 1.00 70.43 N ATOM 0 H ARG A 50 12.891 -73.095 -18.857 1.00 20.24 H new ATOM 0 HA ARG A 50 14.715 -75.133 -18.113 1.00 11.11 H new ATOM 0 HB2 ARG A 50 13.141 -75.148 -20.078 1.00 4.24 H new ATOM 0 HB3 ARG A 50 14.174 -73.972 -20.867 1.00 4.24 H new ATOM 0 HG2 ARG A 50 16.072 -75.586 -20.780 1.00 63.42 H new ATOM 0 HG3 ARG A 50 15.035 -76.762 -19.997 1.00 63.42 H new ATOM 0 HD2 ARG A 50 13.517 -76.715 -21.997 1.00 31.41 H new ATOM 0 HD3 ARG A 50 14.617 -75.598 -22.781 1.00 31.41 H new ATOM 0 HE ARG A 50 15.870 -78.105 -21.873 1.00 52.04 H new ATOM 0 HH11 ARG A 50 14.253 -76.399 -24.525 1.00 12.14 H new ATOM 0 HH12 ARG A 50 14.908 -77.476 -25.763 1.00 12.14 H new ATOM 0 HH21 ARG A 50 16.686 -79.479 -23.469 1.00 70.43 H new ATOM 0 HH22 ARG A 50 16.279 -79.211 -25.167 1.00 70.43 H new ATOM 748 N LYS A 51 15.962 -72.255 -18.875 1.00 31.42 N ATOM 749 CA LYS A 51 17.185 -71.455 -18.890 1.00 51.24 C ATOM 750 C LYS A 51 18.069 -71.827 -17.697 1.00 43.40 C ATOM 751 O LYS A 51 19.203 -72.284 -17.863 1.00 4.25 O ATOM 752 CB LYS A 51 16.834 -69.955 -18.838 1.00 42.54 C ATOM 753 CG LYS A 51 15.838 -69.506 -19.907 1.00 63.21 C ATOM 754 CD LYS A 51 16.414 -69.609 -21.320 1.00 2.41 C ATOM 755 CE LYS A 51 17.528 -68.593 -21.563 1.00 61.10 C ATOM 756 NZ LYS A 51 18.020 -68.640 -22.965 1.00 63.52 N ATOM 0 H LYS A 51 15.104 -71.704 -18.847 1.00 31.42 H new ATOM 0 HA LYS A 51 17.730 -71.660 -19.812 1.00 51.24 H new ATOM 0 HB2 LYS A 51 16.424 -69.723 -17.855 1.00 42.54 H new ATOM 0 HB3 LYS A 51 17.751 -69.375 -18.945 1.00 42.54 H new ATOM 0 HG2 LYS A 51 14.937 -70.116 -19.839 1.00 63.21 H new ATOM 0 HG3 LYS A 51 15.541 -68.475 -19.713 1.00 63.21 H new ATOM 0 HD2 LYS A 51 16.801 -70.615 -21.481 1.00 2.41 H new ATOM 0 HD3 LYS A 51 15.617 -69.454 -22.048 1.00 2.41 H new ATOM 0 HE2 LYS A 51 17.162 -67.591 -21.340 1.00 61.10 H new ATOM 0 HE3 LYS A 51 18.355 -68.790 -20.881 1.00 61.10 H new ATOM 0 HZ1 LYS A 51 18.775 -67.936 -23.092 1.00 63.52 H new ATOM 0 HZ2 LYS A 51 18.393 -69.589 -23.170 1.00 63.52 H new ATOM 0 HZ3 LYS A 51 17.237 -68.428 -23.615 1.00 63.52 H new ATOM 770 N TYR A 52 17.520 -71.654 -16.496 1.00 33.33 N ATOM 771 CA TYR A 52 18.250 -71.927 -15.262 1.00 52.21 C ATOM 772 C TYR A 52 18.414 -73.428 -15.048 1.00 31.13 C ATOM 773 O TYR A 52 19.462 -73.881 -14.582 1.00 33.12 O ATOM 774 CB TYR A 52 17.544 -71.286 -14.061 1.00 51.11 C ATOM 775 CG TYR A 52 17.587 -69.766 -14.075 1.00 65.03 C ATOM 776 CD1 TYR A 52 18.805 -69.092 -14.111 1.00 73.20 C ATOM 777 CD2 TYR A 52 16.420 -69.006 -14.056 1.00 31.11 C ATOM 778 CE1 TYR A 52 18.859 -67.714 -14.123 1.00 34.30 C ATOM 779 CE2 TYR A 52 16.469 -67.624 -14.069 1.00 52.05 C ATOM 780 CZ TYR A 52 17.692 -66.985 -14.102 1.00 23.30 C ATOM 781 OH TYR A 52 17.751 -65.610 -14.112 1.00 53.21 O ATOM 0 H TYR A 52 16.566 -71.324 -16.352 1.00 33.33 H new ATOM 0 HA TYR A 52 19.243 -71.486 -15.353 1.00 52.21 H new ATOM 0 HB2 TYR A 52 16.504 -71.612 -14.044 1.00 51.11 H new ATOM 0 HB3 TYR A 52 18.007 -71.647 -13.142 1.00 51.11 H new ATOM 0 HD1 TYR A 52 19.724 -69.659 -14.130 1.00 73.20 H new ATOM 0 HD2 TYR A 52 15.462 -69.504 -14.031 1.00 31.11 H new ATOM 0 HE1 TYR A 52 19.813 -67.209 -14.149 1.00 34.30 H new ATOM 0 HE2 TYR A 52 15.556 -67.048 -14.053 1.00 52.05 H new ATOM 0 HH TYR A 52 16.842 -65.243 -14.095 1.00 53.21 H new ATOM 791 N THR A 53 17.380 -74.195 -15.392 1.00 44.10 N ATOM 792 CA THR A 53 17.447 -75.651 -15.296 1.00 3.41 C ATOM 793 C THR A 53 18.605 -76.195 -16.144 1.00 73.23 C ATOM 794 O THR A 53 19.408 -77.018 -15.677 1.00 72.33 O ATOM 795 CB THR A 53 16.114 -76.295 -15.741 1.00 45.12 C ATOM 796 OG1 THR A 53 15.035 -75.756 -14.963 1.00 53.20 O ATOM 797 CG2 THR A 53 16.147 -77.813 -15.582 1.00 71.23 C ATOM 0 H THR A 53 16.491 -73.834 -15.738 1.00 44.10 H new ATOM 0 HA THR A 53 17.624 -75.911 -14.252 1.00 3.41 H new ATOM 0 HB THR A 53 15.965 -76.067 -16.796 1.00 45.12 H new ATOM 0 HG1 THR A 53 14.826 -74.851 -15.277 1.00 53.20 H new ATOM 0 HG21 THR A 53 15.194 -78.233 -15.904 1.00 71.23 H new ATOM 0 HG22 THR A 53 16.950 -78.225 -16.192 1.00 71.23 H new ATOM 0 HG23 THR A 53 16.320 -78.066 -14.536 1.00 71.23 H new ATOM 805 N LYS A 54 18.702 -75.704 -17.384 1.00 52.34 N ATOM 806 CA LYS A 54 19.768 -76.112 -18.294 1.00 30.44 C ATOM 807 C LYS A 54 21.116 -75.660 -17.757 1.00 3.54 C ATOM 808 O LYS A 54 22.062 -76.442 -17.722 1.00 44.10 O ATOM 809 CB LYS A 54 19.551 -75.534 -19.700 1.00 40.44 C ATOM 810 CG LYS A 54 20.681 -75.860 -20.675 1.00 35.45 C ATOM 811 CD LYS A 54 20.461 -75.224 -22.045 1.00 30.33 C ATOM 812 CE LYS A 54 21.652 -75.450 -22.971 1.00 3.15 C ATOM 813 NZ LYS A 54 22.885 -74.779 -22.470 1.00 23.31 N ATOM 0 H LYS A 54 18.052 -75.023 -17.777 1.00 52.34 H new ATOM 0 HA LYS A 54 19.750 -77.200 -18.364 1.00 30.44 H new ATOM 0 HB2 LYS A 54 18.613 -75.919 -20.101 1.00 40.44 H new ATOM 0 HB3 LYS A 54 19.446 -74.452 -19.627 1.00 40.44 H new ATOM 0 HG2 LYS A 54 21.627 -75.511 -20.262 1.00 35.45 H new ATOM 0 HG3 LYS A 54 20.762 -76.941 -20.787 1.00 35.45 H new ATOM 0 HD2 LYS A 54 19.563 -75.641 -22.500 1.00 30.33 H new ATOM 0 HD3 LYS A 54 20.291 -74.154 -21.926 1.00 30.33 H new ATOM 0 HE2 LYS A 54 21.836 -76.520 -23.070 1.00 3.15 H new ATOM 0 HE3 LYS A 54 21.414 -75.074 -23.966 1.00 3.15 H new ATOM 0 HZ1 LYS A 54 23.592 -74.737 -23.232 1.00 23.31 H new ATOM 0 HZ2 LYS A 54 22.653 -73.814 -22.159 1.00 23.31 H new ATOM 0 HZ3 LYS A 54 23.272 -75.317 -21.668 1.00 23.31 H new ATOM 827 N LYS A 55 21.194 -74.399 -17.337 1.00 61.15 N ATOM 828 CA LYS A 55 22.427 -73.855 -16.776 1.00 23.30 C ATOM 829 C LYS A 55 22.943 -74.750 -15.651 1.00 15.04 C ATOM 830 O LYS A 55 24.102 -75.163 -15.654 1.00 2.24 O ATOM 831 CB LYS A 55 22.205 -72.435 -16.234 1.00 11.43 C ATOM 832 CG LYS A 55 23.444 -71.846 -15.560 1.00 64.44 C ATOM 833 CD LYS A 55 23.127 -70.591 -14.752 1.00 65.33 C ATOM 834 CE LYS A 55 24.340 -70.119 -13.957 1.00 14.41 C ATOM 835 NZ LYS A 55 24.003 -69.005 -13.037 1.00 63.50 N ATOM 0 H LYS A 55 20.419 -73.737 -17.375 1.00 61.15 H new ATOM 0 HA LYS A 55 23.166 -73.816 -17.576 1.00 23.30 H new ATOM 0 HB2 LYS A 55 21.901 -71.784 -17.054 1.00 11.43 H new ATOM 0 HB3 LYS A 55 21.383 -72.451 -15.518 1.00 11.43 H new ATOM 0 HG2 LYS A 55 23.887 -72.595 -14.904 1.00 64.44 H new ATOM 0 HG3 LYS A 55 24.188 -71.607 -16.320 1.00 64.44 H new ATOM 0 HD2 LYS A 55 22.799 -69.797 -15.423 1.00 65.33 H new ATOM 0 HD3 LYS A 55 22.300 -70.794 -14.071 1.00 65.33 H new ATOM 0 HE2 LYS A 55 24.744 -70.953 -13.383 1.00 14.41 H new ATOM 0 HE3 LYS A 55 25.121 -69.797 -14.645 1.00 14.41 H new ATOM 0 HZ1 LYS A 55 24.855 -68.715 -12.516 1.00 63.50 H new ATOM 0 HZ2 LYS A 55 23.641 -68.199 -13.586 1.00 63.50 H new ATOM 0 HZ3 LYS A 55 23.276 -69.319 -12.363 1.00 63.50 H new ATOM 849 N GLU A 56 22.059 -75.054 -14.706 1.00 61.35 N ATOM 850 CA GLU A 56 22.412 -75.847 -13.535 1.00 4.44 C ATOM 851 C GLU A 56 22.909 -77.233 -13.948 1.00 34.44 C ATOM 852 O GLU A 56 24.039 -77.627 -13.631 1.00 61.15 O ATOM 853 CB GLU A 56 21.194 -75.982 -12.610 1.00 12.34 C ATOM 854 CG GLU A 56 21.518 -76.593 -11.255 1.00 53.51 C ATOM 855 CD GLU A 56 22.432 -75.704 -10.425 1.00 25.14 C ATOM 856 OE1 GLU A 56 21.928 -74.755 -9.784 1.00 24.04 O ATOM 857 OE2 GLU A 56 23.657 -75.936 -10.416 1.00 63.10 O ATOM 0 H GLU A 56 21.083 -74.759 -14.730 1.00 61.35 H new ATOM 0 HA GLU A 56 23.215 -75.338 -13.002 1.00 4.44 H new ATOM 0 HB2 GLU A 56 20.754 -74.997 -12.458 1.00 12.34 H new ATOM 0 HB3 GLU A 56 20.440 -76.595 -13.104 1.00 12.34 H new ATOM 0 HG2 GLU A 56 20.592 -76.770 -10.708 1.00 53.51 H new ATOM 0 HG3 GLU A 56 21.993 -77.563 -11.401 1.00 53.51 H new ATOM 864 N ALA A 57 22.063 -77.955 -14.679 1.00 2.01 N ATOM 865 CA ALA A 57 22.362 -79.326 -15.082 1.00 74.43 C ATOM 866 C ALA A 57 23.617 -79.395 -15.949 1.00 71.13 C ATOM 867 O ALA A 57 24.478 -80.247 -15.743 1.00 12.10 O ATOM 868 CB ALA A 57 21.171 -79.932 -15.812 1.00 4.12 C ATOM 0 H ALA A 57 21.160 -77.610 -15.006 1.00 2.01 H new ATOM 0 HA ALA A 57 22.555 -79.906 -14.180 1.00 74.43 H new ATOM 0 HB1 ALA A 57 21.407 -80.954 -16.107 1.00 4.12 H new ATOM 0 HB2 ALA A 57 20.303 -79.936 -15.152 1.00 4.12 H new ATOM 0 HB3 ALA A 57 20.949 -79.340 -16.700 1.00 4.12 H new ATOM 874 N ASP A 58 23.715 -78.482 -16.907 1.00 44.45 N ATOM 875 CA ASP A 58 24.843 -78.447 -17.843 1.00 61.14 C ATOM 876 C ASP A 58 26.141 -78.091 -17.123 1.00 50.21 C ATOM 877 O ASP A 58 27.210 -78.616 -17.451 1.00 33.21 O ATOM 878 CB ASP A 58 24.557 -77.438 -18.967 1.00 0.41 C ATOM 879 CG ASP A 58 25.738 -77.214 -19.901 1.00 35.12 C ATOM 880 OD1 ASP A 58 26.051 -78.117 -20.708 1.00 32.14 O ATOM 881 OD2 ASP A 58 26.343 -76.120 -19.853 1.00 22.10 O ATOM 0 H ASP A 58 23.023 -77.748 -17.061 1.00 44.45 H new ATOM 0 HA ASP A 58 24.963 -79.439 -18.277 1.00 61.14 H new ATOM 0 HB2 ASP A 58 23.705 -77.788 -19.550 1.00 0.41 H new ATOM 0 HB3 ASP A 58 24.270 -76.485 -18.523 1.00 0.41 H new ATOM 886 N ALA A 59 26.047 -77.211 -16.134 1.00 41.11 N ATOM 887 CA ALA A 59 27.217 -76.767 -15.382 1.00 31.13 C ATOM 888 C ALA A 59 27.763 -77.883 -14.495 1.00 41.12 C ATOM 889 O ALA A 59 28.957 -78.174 -14.519 1.00 73.43 O ATOM 890 CB ALA A 59 26.889 -75.536 -14.546 1.00 33.22 C ATOM 0 H ALA A 59 25.169 -76.788 -15.832 1.00 41.11 H new ATOM 0 HA ALA A 59 27.990 -76.500 -16.103 1.00 31.13 H new ATOM 0 HB1 ALA A 59 27.776 -75.224 -13.995 1.00 33.22 H new ATOM 0 HB2 ALA A 59 26.565 -74.727 -15.201 1.00 33.22 H new ATOM 0 HB3 ALA A 59 26.091 -75.775 -13.843 1.00 33.22 H new ATOM 896 N LEU A 60 26.884 -78.513 -13.718 1.00 54.24 N ATOM 897 CA LEU A 60 27.306 -79.550 -12.770 1.00 74.52 C ATOM 898 C LEU A 60 27.310 -80.940 -13.408 1.00 2.20 C ATOM 899 O LEU A 60 27.788 -81.902 -12.799 1.00 5.04 O ATOM 900 CB LEU A 60 26.405 -79.538 -11.531 1.00 10.34 C ATOM 901 CG LEU A 60 26.499 -78.279 -10.657 1.00 60.33 C ATOM 902 CD1 LEU A 60 25.575 -78.396 -9.450 1.00 41.11 C ATOM 903 CD2 LEU A 60 27.938 -78.036 -10.208 1.00 51.52 C ATOM 0 H LEU A 60 25.881 -78.327 -13.723 1.00 54.24 H new ATOM 0 HA LEU A 60 28.329 -79.322 -12.472 1.00 74.52 H new ATOM 0 HB2 LEU A 60 25.371 -79.658 -11.854 1.00 10.34 H new ATOM 0 HB3 LEU A 60 26.650 -80.405 -10.917 1.00 10.34 H new ATOM 0 HG LEU A 60 26.180 -77.425 -11.255 1.00 60.33 H new ATOM 0 HD11 LEU A 60 25.655 -77.495 -8.842 1.00 41.11 H new ATOM 0 HD12 LEU A 60 24.546 -78.515 -9.790 1.00 41.11 H new ATOM 0 HD13 LEU A 60 25.863 -79.262 -8.854 1.00 41.11 H new ATOM 0 HD21 LEU A 60 27.980 -77.139 -9.590 1.00 51.52 H new ATOM 0 HD22 LEU A 60 28.288 -78.891 -9.630 1.00 51.52 H new ATOM 0 HD23 LEU A 60 28.575 -77.904 -11.083 1.00 51.52 H new ATOM 915 N SER A 61 26.789 -81.034 -14.628 1.00 74.52 N ATOM 916 CA SER A 61 26.767 -82.280 -15.393 1.00 3.53 C ATOM 917 C SER A 61 25.832 -83.315 -14.757 1.00 64.03 C ATOM 918 O SER A 61 26.252 -84.416 -14.389 1.00 34.12 O ATOM 919 CB SER A 61 28.190 -82.852 -15.535 1.00 74.53 C ATOM 920 OG SER A 61 29.089 -81.870 -16.028 1.00 63.03 O ATOM 0 H SER A 61 26.368 -80.245 -15.118 1.00 74.52 H new ATOM 0 HA SER A 61 26.381 -82.052 -16.386 1.00 3.53 H new ATOM 0 HB2 SER A 61 28.538 -83.215 -14.568 1.00 74.53 H new ATOM 0 HB3 SER A 61 28.176 -83.708 -16.210 1.00 74.53 H new ATOM 0 HG SER A 61 29.986 -82.258 -16.107 1.00 63.03 H new ATOM 926 N LEU A 62 24.554 -82.945 -14.626 1.00 73.12 N ATOM 927 CA LEU A 62 23.518 -83.882 -14.186 1.00 32.44 C ATOM 928 C LEU A 62 22.874 -84.537 -15.403 1.00 13.42 C ATOM 929 O LEU A 62 22.544 -83.858 -16.379 1.00 54.02 O ATOM 930 CB LEU A 62 22.438 -83.184 -13.330 1.00 62.02 C ATOM 931 CG LEU A 62 22.841 -82.841 -11.880 1.00 31.13 C ATOM 932 CD1 LEU A 62 23.458 -84.056 -11.197 1.00 22.14 C ATOM 933 CD2 LEU A 62 23.782 -81.644 -11.839 1.00 20.31 C ATOM 0 H LEU A 62 24.213 -82.003 -14.819 1.00 73.12 H new ATOM 0 HA LEU A 62 23.992 -84.640 -13.563 1.00 32.44 H new ATOM 0 HB2 LEU A 62 22.144 -82.262 -13.832 1.00 62.02 H new ATOM 0 HB3 LEU A 62 21.557 -83.825 -13.299 1.00 62.02 H new ATOM 0 HG LEU A 62 21.941 -82.565 -11.331 1.00 31.13 H new ATOM 0 HD11 LEU A 62 23.736 -83.797 -10.176 1.00 22.14 H new ATOM 0 HD12 LEU A 62 22.734 -84.871 -11.180 1.00 22.14 H new ATOM 0 HD13 LEU A 62 24.345 -84.371 -11.746 1.00 22.14 H new ATOM 0 HD21 LEU A 62 24.049 -81.426 -10.805 1.00 20.31 H new ATOM 0 HD22 LEU A 62 24.685 -81.871 -12.406 1.00 20.31 H new ATOM 0 HD23 LEU A 62 23.287 -80.777 -12.277 1.00 20.31 H new ATOM 945 N VAL A 63 22.709 -85.853 -15.350 1.00 63.31 N ATOM 946 CA VAL A 63 22.071 -86.593 -16.433 1.00 53.30 C ATOM 947 C VAL A 63 20.714 -87.117 -15.981 1.00 24.01 C ATOM 948 O VAL A 63 20.488 -87.325 -14.786 1.00 52.40 O ATOM 949 CB VAL A 63 22.957 -87.761 -16.939 1.00 11.42 C ATOM 950 CG1 VAL A 63 24.271 -87.229 -17.507 1.00 23.31 C ATOM 951 CG2 VAL A 63 23.219 -88.786 -15.834 1.00 10.23 C ATOM 0 H VAL A 63 23.009 -86.432 -14.566 1.00 63.31 H new ATOM 0 HA VAL A 63 21.933 -85.904 -17.266 1.00 53.30 H new ATOM 0 HB VAL A 63 22.415 -88.269 -17.736 1.00 11.42 H new ATOM 0 HG11 VAL A 63 24.880 -88.062 -17.857 1.00 23.31 H new ATOM 0 HG12 VAL A 63 24.062 -86.557 -18.340 1.00 23.31 H new ATOM 0 HG13 VAL A 63 24.810 -86.687 -16.730 1.00 23.31 H new ATOM 0 HG21 VAL A 63 23.843 -89.590 -16.224 1.00 10.23 H new ATOM 0 HG22 VAL A 63 23.730 -88.301 -15.002 1.00 10.23 H new ATOM 0 HG23 VAL A 63 22.271 -89.198 -15.487 1.00 10.23 H new ATOM 961 N GLY A 64 19.809 -87.297 -16.929 1.00 15.23 N ATOM 962 CA GLY A 64 18.470 -87.753 -16.610 1.00 55.25 C ATOM 963 C GLY A 64 17.462 -87.233 -17.609 1.00 30.41 C ATOM 964 O GLY A 64 17.706 -87.284 -18.815 1.00 63.55 O ATOM 0 H GLY A 64 19.978 -87.135 -17.922 1.00 15.23 H new ATOM 0 HA2 GLY A 64 18.447 -88.843 -16.600 1.00 55.25 H new ATOM 0 HA3 GLY A 64 18.199 -87.419 -15.608 1.00 55.25 H new ATOM 968 N TYR A 65 16.330 -86.735 -17.125 1.00 73.32 N ATOM 969 CA TYR A 65 15.320 -86.151 -18.005 1.00 13.32 C ATOM 970 C TYR A 65 14.282 -85.377 -17.200 1.00 31.43 C ATOM 971 O TYR A 65 14.014 -85.715 -16.048 1.00 30.44 O ATOM 972 CB TYR A 65 14.662 -87.242 -18.890 1.00 12.34 C ATOM 973 CG TYR A 65 13.184 -87.498 -18.635 1.00 12.32 C ATOM 974 CD1 TYR A 65 12.769 -88.381 -17.644 1.00 2.54 C ATOM 975 CD2 TYR A 65 12.207 -86.861 -19.395 1.00 43.24 C ATOM 976 CE1 TYR A 65 11.428 -88.621 -17.418 1.00 14.21 C ATOM 977 CE2 TYR A 65 10.864 -87.095 -19.174 1.00 74.34 C ATOM 978 CZ TYR A 65 10.480 -87.977 -18.185 1.00 4.14 C ATOM 979 OH TYR A 65 9.141 -88.218 -17.965 1.00 22.34 O ATOM 0 H TYR A 65 16.088 -86.723 -16.134 1.00 73.32 H new ATOM 0 HA TYR A 65 15.813 -85.443 -18.671 1.00 13.32 H new ATOM 0 HB2 TYR A 65 14.788 -86.960 -19.935 1.00 12.34 H new ATOM 0 HB3 TYR A 65 15.204 -88.177 -18.745 1.00 12.34 H new ATOM 0 HD1 TYR A 65 13.508 -88.888 -17.041 1.00 2.54 H new ATOM 0 HD2 TYR A 65 12.505 -86.172 -20.171 1.00 43.24 H new ATOM 0 HE1 TYR A 65 11.123 -89.310 -16.644 1.00 14.21 H new ATOM 0 HE2 TYR A 65 10.119 -86.591 -19.772 1.00 74.34 H new ATOM 0 HH TYR A 65 8.999 -88.441 -17.021 1.00 22.34 H new ATOM 989 N VAL A 66 13.715 -84.331 -17.805 1.00 23.54 N ATOM 990 CA VAL A 66 12.688 -83.511 -17.148 1.00 72.34 C ATOM 991 C VAL A 66 11.578 -83.161 -18.134 1.00 10.41 C ATOM 992 O VAL A 66 11.856 -82.903 -19.305 1.00 63.31 O ATOM 993 CB VAL A 66 13.288 -82.210 -16.539 1.00 1.11 C ATOM 994 CG1 VAL A 66 12.192 -81.219 -16.148 1.00 51.44 C ATOM 995 CG2 VAL A 66 14.155 -82.541 -15.326 1.00 12.42 C ATOM 0 H VAL A 66 13.949 -84.029 -18.751 1.00 23.54 H new ATOM 0 HA VAL A 66 12.273 -84.101 -16.331 1.00 72.34 H new ATOM 0 HB VAL A 66 13.908 -81.741 -17.303 1.00 1.11 H new ATOM 0 HG11 VAL A 66 12.646 -80.322 -15.726 1.00 51.44 H new ATOM 0 HG12 VAL A 66 11.612 -80.951 -17.031 1.00 51.44 H new ATOM 0 HG13 VAL A 66 11.536 -81.676 -15.407 1.00 51.44 H new ATOM 0 HG21 VAL A 66 14.567 -81.621 -14.912 1.00 12.42 H new ATOM 0 HG22 VAL A 66 13.548 -83.040 -14.570 1.00 12.42 H new ATOM 0 HG23 VAL A 66 14.969 -83.199 -15.629 1.00 12.42 H new ATOM 1005 N THR A 67 10.332 -83.156 -17.645 1.00 33.35 N ATOM 1006 CA THR A 67 9.152 -82.867 -18.456 1.00 62.00 C ATOM 1007 C THR A 67 8.047 -82.272 -17.577 1.00 43.22 C ATOM 1008 O THR A 67 8.089 -82.389 -16.349 1.00 43.20 O ATOM 1009 CB THR A 67 8.606 -84.134 -19.161 1.00 20.20 C ATOM 1010 OG1 THR A 67 7.491 -83.787 -19.990 1.00 12.03 O ATOM 1011 CG2 THR A 67 8.161 -85.186 -18.153 1.00 52.41 C ATOM 0 H THR A 67 10.117 -83.354 -16.668 1.00 33.35 H new ATOM 0 HA THR A 67 9.454 -82.153 -19.223 1.00 62.00 H new ATOM 0 HB THR A 67 9.413 -84.549 -19.765 1.00 20.20 H new ATOM 0 HG1 THR A 67 7.151 -84.591 -20.435 1.00 12.03 H new ATOM 0 HG21 THR A 67 7.784 -86.061 -18.683 1.00 52.41 H new ATOM 0 HG22 THR A 67 9.008 -85.476 -17.531 1.00 52.41 H new ATOM 0 HG23 THR A 67 7.372 -84.775 -17.523 1.00 52.41 H new ATOM 1019 N ASN A 68 7.069 -81.626 -18.204 1.00 24.14 N ATOM 1020 CA ASN A 68 5.946 -81.024 -17.485 1.00 73.40 C ATOM 1021 C ASN A 68 4.659 -81.798 -17.770 1.00 73.12 C ATOM 1022 O ASN A 68 4.434 -82.260 -18.890 1.00 10.52 O ATOM 1023 CB ASN A 68 5.774 -79.553 -17.885 1.00 71.15 C ATOM 1024 CG ASN A 68 4.539 -78.918 -17.271 1.00 11.14 C ATOM 1025 OD1 ASN A 68 4.584 -78.370 -16.170 1.00 14.14 O ATOM 1026 ND2 ASN A 68 3.424 -78.989 -17.983 1.00 71.23 N ATOM 0 H ASN A 68 7.030 -81.504 -19.216 1.00 24.14 H new ATOM 0 HA ASN A 68 6.158 -81.071 -16.417 1.00 73.40 H new ATOM 0 HB2 ASN A 68 6.657 -78.992 -17.578 1.00 71.15 H new ATOM 0 HB3 ASN A 68 5.713 -79.481 -18.971 1.00 71.15 H new ATOM 0 HD21 ASN A 68 2.562 -78.581 -17.622 1.00 71.23 H new ATOM 0 HD22 ASN A 68 3.428 -79.452 -18.892 1.00 71.23 H new ATOM 1033 N ASN A 69 3.822 -81.937 -16.752 1.00 74.00 N ATOM 1034 CA ASN A 69 2.550 -82.644 -16.878 1.00 52.24 C ATOM 1035 C ASN A 69 1.404 -81.644 -16.985 1.00 5.25 C ATOM 1036 O ASN A 69 1.469 -80.546 -16.421 1.00 52.52 O ATOM 1037 CB ASN A 69 2.320 -83.572 -15.675 1.00 72.13 C ATOM 1038 CG ASN A 69 3.392 -84.644 -15.551 1.00 72.22 C ATOM 1039 OD1 ASN A 69 3.262 -85.741 -16.098 1.00 2.34 O ATOM 1040 ND2 ASN A 69 4.457 -84.332 -14.829 1.00 31.15 N ATOM 0 H ASN A 69 4.001 -81.566 -15.819 1.00 74.00 H new ATOM 0 HA ASN A 69 2.585 -83.251 -17.783 1.00 52.24 H new ATOM 0 HB2 ASN A 69 2.298 -82.978 -14.761 1.00 72.13 H new ATOM 0 HB3 ASN A 69 1.344 -84.048 -15.769 1.00 72.13 H new ATOM 0 HD21 ASN A 69 5.209 -85.011 -14.709 1.00 31.15 H new ATOM 0 HD22 ASN A 69 4.526 -83.413 -14.393 1.00 31.15 H new ATOM 1047 N GLU A 70 0.352 -82.031 -17.703 1.00 63.52 N ATOM 1048 CA GLU A 70 -0.824 -81.180 -17.894 1.00 54.22 C ATOM 1049 C GLU A 70 -1.454 -80.817 -16.549 1.00 23.41 C ATOM 1050 O GLU A 70 -2.120 -79.792 -16.413 1.00 22.31 O ATOM 1051 CB GLU A 70 -1.851 -81.902 -18.775 1.00 35.24 C ATOM 1052 CG GLU A 70 -2.408 -83.176 -18.142 1.00 73.50 C ATOM 1053 CD GLU A 70 -3.432 -83.882 -19.013 1.00 44.50 C ATOM 1054 OE1 GLU A 70 -4.057 -83.220 -19.870 1.00 22.30 O ATOM 1055 OE2 GLU A 70 -3.637 -85.100 -18.827 1.00 32.11 O ATOM 0 H GLU A 70 0.289 -82.937 -18.167 1.00 63.52 H new ATOM 0 HA GLU A 70 -0.509 -80.260 -18.386 1.00 54.22 H new ATOM 0 HB2 GLU A 70 -2.675 -81.222 -18.990 1.00 35.24 H new ATOM 0 HB3 GLU A 70 -1.387 -82.152 -19.729 1.00 35.24 H new ATOM 0 HG2 GLU A 70 -1.585 -83.860 -17.934 1.00 73.50 H new ATOM 0 HG3 GLU A 70 -2.866 -82.927 -17.184 1.00 73.50 H new ATOM 1062 N ASP A 71 -1.204 -81.665 -15.556 1.00 53.44 N ATOM 1063 CA ASP A 71 -1.761 -81.499 -14.212 1.00 52.32 C ATOM 1064 C ASP A 71 -1.164 -80.286 -13.497 1.00 60.33 C ATOM 1065 O ASP A 71 -1.564 -79.956 -12.379 1.00 61.33 O ATOM 1066 CB ASP A 71 -1.508 -82.764 -13.379 1.00 72.43 C ATOM 1067 CG ASP A 71 -2.056 -84.016 -14.042 1.00 73.01 C ATOM 1068 OD1 ASP A 71 -1.321 -84.649 -14.834 1.00 44.11 O ATOM 1069 OD2 ASP A 71 -3.223 -84.372 -13.783 1.00 23.34 O ATOM 0 H ASP A 71 -0.610 -82.488 -15.658 1.00 53.44 H new ATOM 0 HA ASP A 71 -2.833 -81.334 -14.318 1.00 52.32 H new ATOM 0 HB2 ASP A 71 -0.436 -82.881 -13.218 1.00 72.43 H new ATOM 0 HB3 ASP A 71 -1.966 -82.646 -12.397 1.00 72.43 H new ATOM 1074 N GLY A 72 -0.198 -79.632 -14.139 1.00 2.22 N ATOM 1075 CA GLY A 72 0.436 -78.465 -13.551 1.00 24.21 C ATOM 1076 C GLY A 72 1.520 -78.845 -12.562 1.00 64.40 C ATOM 1077 O GLY A 72 1.593 -78.298 -11.460 1.00 24.14 O ATOM 0 H GLY A 72 0.157 -79.892 -15.059 1.00 2.22 H new ATOM 0 HA2 GLY A 72 0.866 -77.849 -14.341 1.00 24.21 H new ATOM 0 HA3 GLY A 72 -0.317 -77.858 -13.048 1.00 24.21 H new ATOM 1081 N SER A 73 2.357 -79.795 -12.960 1.00 74.30 N ATOM 1082 CA SER A 73 3.454 -80.267 -12.126 1.00 53.52 C ATOM 1083 C SER A 73 4.589 -80.795 -13.000 1.00 5.24 C ATOM 1084 O SER A 73 4.345 -81.423 -14.038 1.00 20.32 O ATOM 1085 CB SER A 73 2.955 -81.358 -11.168 1.00 23.04 C ATOM 1086 OG SER A 73 2.275 -82.383 -11.873 1.00 33.31 O ATOM 0 H SER A 73 2.295 -80.258 -13.867 1.00 74.30 H new ATOM 0 HA SER A 73 3.834 -79.435 -11.534 1.00 53.52 H new ATOM 0 HB2 SER A 73 3.799 -81.784 -10.625 1.00 23.04 H new ATOM 0 HB3 SER A 73 2.288 -80.918 -10.426 1.00 23.04 H new ATOM 0 HG SER A 73 1.968 -83.067 -11.241 1.00 33.31 H new ATOM 1092 N VAL A 74 5.822 -80.540 -12.582 1.00 2.14 N ATOM 1093 CA VAL A 74 6.998 -80.938 -13.351 1.00 23.14 C ATOM 1094 C VAL A 74 7.625 -82.187 -12.736 1.00 45.15 C ATOM 1095 O VAL A 74 7.810 -82.255 -11.520 1.00 50.12 O ATOM 1096 CB VAL A 74 8.045 -79.798 -13.397 1.00 61.55 C ATOM 1097 CG1 VAL A 74 9.259 -80.202 -14.229 1.00 25.24 C ATOM 1098 CG2 VAL A 74 7.415 -78.514 -13.937 1.00 44.21 C ATOM 0 H VAL A 74 6.036 -80.057 -11.710 1.00 2.14 H new ATOM 0 HA VAL A 74 6.679 -81.154 -14.371 1.00 23.14 H new ATOM 0 HB VAL A 74 8.388 -79.609 -12.380 1.00 61.55 H new ATOM 0 HG11 VAL A 74 9.978 -79.383 -14.245 1.00 25.24 H new ATOM 0 HG12 VAL A 74 9.724 -81.085 -13.790 1.00 25.24 H new ATOM 0 HG13 VAL A 74 8.943 -80.427 -15.248 1.00 25.24 H new ATOM 0 HG21 VAL A 74 8.165 -77.723 -13.962 1.00 44.21 H new ATOM 0 HG22 VAL A 74 7.038 -78.689 -14.945 1.00 44.21 H new ATOM 0 HG23 VAL A 74 6.592 -78.212 -13.289 1.00 44.21 H new ATOM 1108 N SER A 75 7.945 -83.170 -13.570 1.00 24.41 N ATOM 1109 CA SER A 75 8.529 -84.419 -13.095 1.00 33.53 C ATOM 1110 C SER A 75 9.701 -84.838 -13.981 1.00 25.55 C ATOM 1111 O SER A 75 9.836 -84.376 -15.117 1.00 44.43 O ATOM 1112 CB SER A 75 7.460 -85.519 -13.051 1.00 45.42 C ATOM 1113 OG SER A 75 6.819 -85.662 -14.306 1.00 50.11 O ATOM 0 H SER A 75 7.810 -83.126 -14.580 1.00 24.41 H new ATOM 0 HA SER A 75 8.909 -84.264 -12.085 1.00 33.53 H new ATOM 0 HB2 SER A 75 7.920 -86.465 -12.765 1.00 45.42 H new ATOM 0 HB3 SER A 75 6.720 -85.280 -12.287 1.00 45.42 H new ATOM 0 HG SER A 75 6.287 -86.485 -14.310 1.00 50.11 H new ATOM 1119 N GLY A 76 10.550 -85.703 -13.443 1.00 32.44 N ATOM 1120 CA GLY A 76 11.700 -86.191 -14.175 1.00 51.54 C ATOM 1121 C GLY A 76 12.600 -87.021 -13.289 1.00 43.42 C ATOM 1122 O GLY A 76 12.191 -87.429 -12.204 1.00 53.55 O ATOM 0 H GLY A 76 10.459 -86.079 -12.499 1.00 32.44 H new ATOM 0 HA2 GLY A 76 11.367 -86.790 -15.023 1.00 51.54 H new ATOM 0 HA3 GLY A 76 12.261 -85.349 -14.580 1.00 51.54 H new ATOM 1126 N VAL A 77 13.820 -87.284 -13.744 1.00 42.05 N ATOM 1127 CA VAL A 77 14.782 -88.064 -12.968 1.00 43.44 C ATOM 1128 C VAL A 77 16.182 -87.473 -13.117 1.00 74.14 C ATOM 1129 O VAL A 77 16.571 -87.065 -14.215 1.00 42.33 O ATOM 1130 CB VAL A 77 14.820 -89.555 -13.413 1.00 53.04 C ATOM 1131 CG1 VAL A 77 15.727 -90.373 -12.492 1.00 73.25 C ATOM 1132 CG2 VAL A 77 13.415 -90.159 -13.463 1.00 44.22 C ATOM 0 H VAL A 77 14.169 -86.968 -14.649 1.00 42.05 H new ATOM 0 HA VAL A 77 14.460 -88.022 -11.928 1.00 43.44 H new ATOM 0 HB VAL A 77 15.232 -89.589 -14.421 1.00 53.04 H new ATOM 0 HG11 VAL A 77 15.739 -91.412 -12.822 1.00 73.25 H new ATOM 0 HG12 VAL A 77 16.739 -89.970 -12.527 1.00 73.25 H new ATOM 0 HG13 VAL A 77 15.350 -90.321 -11.470 1.00 73.25 H new ATOM 0 HG21 VAL A 77 13.478 -91.201 -13.777 1.00 44.22 H new ATOM 0 HG22 VAL A 77 12.960 -90.105 -12.474 1.00 44.22 H new ATOM 0 HG23 VAL A 77 12.805 -89.602 -14.174 1.00 44.22 H new ATOM 1142 N VAL A 78 16.921 -87.415 -12.013 1.00 11.12 N ATOM 1143 CA VAL A 78 18.323 -87.006 -12.033 1.00 13.11 C ATOM 1144 C VAL A 78 19.200 -88.165 -11.573 1.00 3.40 C ATOM 1145 O VAL A 78 18.843 -88.903 -10.652 1.00 63.53 O ATOM 1146 CB VAL A 78 18.597 -85.779 -11.123 1.00 55.53 C ATOM 1147 CG1 VAL A 78 20.093 -85.480 -11.030 1.00 52.34 C ATOM 1148 CG2 VAL A 78 17.850 -84.544 -11.615 1.00 23.42 C ATOM 0 H VAL A 78 16.568 -87.648 -11.085 1.00 11.12 H new ATOM 0 HA VAL A 78 18.560 -86.722 -13.058 1.00 13.11 H new ATOM 0 HB VAL A 78 18.231 -86.031 -10.128 1.00 55.53 H new ATOM 0 HG11 VAL A 78 20.252 -84.615 -10.386 1.00 52.34 H new ATOM 0 HG12 VAL A 78 20.611 -86.343 -10.613 1.00 52.34 H new ATOM 0 HG13 VAL A 78 20.484 -85.268 -12.025 1.00 52.34 H new ATOM 0 HG21 VAL A 78 18.064 -83.703 -10.956 1.00 23.42 H new ATOM 0 HG22 VAL A 78 18.173 -84.303 -12.628 1.00 23.42 H new ATOM 0 HG23 VAL A 78 16.778 -84.743 -11.614 1.00 23.42 H new ATOM 1158 N GLN A 79 20.340 -88.320 -12.226 1.00 61.04 N ATOM 1159 CA GLN A 79 21.309 -89.348 -11.876 1.00 72.34 C ATOM 1160 C GLN A 79 22.724 -88.821 -12.082 1.00 51.25 C ATOM 1161 O GLN A 79 22.939 -87.859 -12.823 1.00 1.41 O ATOM 1162 CB GLN A 79 21.077 -90.629 -12.697 1.00 75.34 C ATOM 1163 CG GLN A 79 20.415 -90.397 -14.050 1.00 65.40 C ATOM 1164 CD GLN A 79 20.568 -91.574 -14.999 1.00 13.34 C ATOM 1165 OE1 GLN A 79 20.589 -91.406 -16.216 1.00 12.03 O ATOM 1166 NE2 GLN A 79 20.696 -92.772 -14.450 1.00 41.24 N ATOM 0 H GLN A 79 20.621 -87.737 -13.014 1.00 61.04 H new ATOM 0 HA GLN A 79 21.179 -89.602 -10.824 1.00 72.34 H new ATOM 0 HB2 GLN A 79 22.035 -91.124 -12.855 1.00 75.34 H new ATOM 0 HB3 GLN A 79 20.458 -91.312 -12.115 1.00 75.34 H new ATOM 0 HG2 GLN A 79 19.355 -90.195 -13.899 1.00 65.40 H new ATOM 0 HG3 GLN A 79 20.846 -89.508 -14.511 1.00 65.40 H new ATOM 0 HE21 GLN A 79 20.674 -92.873 -13.435 1.00 41.24 H new ATOM 0 HE22 GLN A 79 20.817 -93.594 -15.042 1.00 41.24 H new ATOM 1175 N GLY A 80 23.676 -89.443 -11.397 1.00 73.20 N ATOM 1176 CA GLY A 80 25.066 -89.035 -11.485 1.00 70.11 C ATOM 1177 C GLY A 80 25.731 -89.070 -10.121 1.00 45.11 C ATOM 1178 O GLY A 80 25.321 -89.853 -9.258 1.00 30.00 O ATOM 0 H GLY A 80 23.507 -90.233 -10.774 1.00 73.20 H new ATOM 0 HA2 GLY A 80 25.599 -89.694 -12.170 1.00 70.11 H new ATOM 0 HA3 GLY A 80 25.128 -88.028 -11.898 1.00 70.11 H new ATOM 1182 N PRO A 81 26.762 -88.238 -9.892 1.00 21.24 N ATOM 1183 CA PRO A 81 27.420 -88.140 -8.583 1.00 24.25 C ATOM 1184 C PRO A 81 26.473 -87.572 -7.519 1.00 43.11 C ATOM 1185 O PRO A 81 25.881 -86.506 -7.705 1.00 61.12 O ATOM 1186 CB PRO A 81 28.602 -87.189 -8.836 1.00 14.12 C ATOM 1187 CG PRO A 81 28.229 -86.423 -10.063 1.00 1.43 C ATOM 1188 CD PRO A 81 27.371 -87.343 -10.891 1.00 73.32 C ATOM 0 HA PRO A 81 27.733 -89.112 -8.201 1.00 24.25 H new ATOM 0 HB2 PRO A 81 28.760 -86.523 -7.988 1.00 14.12 H new ATOM 0 HB3 PRO A 81 29.529 -87.743 -8.984 1.00 14.12 H new ATOM 0 HG2 PRO A 81 27.687 -85.514 -9.804 1.00 1.43 H new ATOM 0 HG3 PRO A 81 29.117 -86.118 -10.616 1.00 1.43 H new ATOM 0 HD2 PRO A 81 26.615 -86.792 -11.450 1.00 73.32 H new ATOM 0 HD3 PRO A 81 27.964 -87.898 -11.619 1.00 73.32 H new ATOM 1196 N LYS A 82 26.352 -88.295 -6.405 1.00 34.24 N ATOM 1197 CA LYS A 82 25.433 -87.939 -5.317 1.00 65.22 C ATOM 1198 C LYS A 82 25.542 -86.470 -4.899 1.00 10.03 C ATOM 1199 O LYS A 82 24.554 -85.873 -4.467 1.00 13.55 O ATOM 1200 CB LYS A 82 25.643 -88.881 -4.106 1.00 54.13 C ATOM 1201 CG LYS A 82 27.083 -89.381 -3.913 1.00 14.43 C ATOM 1202 CD LYS A 82 28.023 -88.306 -3.365 1.00 71.14 C ATOM 1203 CE LYS A 82 27.656 -87.899 -1.942 1.00 51.01 C ATOM 1204 NZ LYS A 82 28.629 -86.933 -1.365 1.00 4.33 N ATOM 0 H LYS A 82 26.888 -89.145 -6.229 1.00 34.24 H new ATOM 0 HA LYS A 82 24.421 -88.071 -5.699 1.00 65.22 H new ATOM 0 HB2 LYS A 82 25.331 -88.359 -3.201 1.00 54.13 H new ATOM 0 HB3 LYS A 82 24.987 -89.744 -4.218 1.00 54.13 H new ATOM 0 HG2 LYS A 82 27.078 -90.232 -3.232 1.00 14.43 H new ATOM 0 HG3 LYS A 82 27.468 -89.739 -4.868 1.00 14.43 H new ATOM 0 HD2 LYS A 82 29.048 -88.677 -3.383 1.00 71.14 H new ATOM 0 HD3 LYS A 82 27.989 -87.430 -4.013 1.00 71.14 H new ATOM 0 HE2 LYS A 82 26.660 -87.455 -1.938 1.00 51.01 H new ATOM 0 HE3 LYS A 82 27.611 -88.787 -1.312 1.00 51.01 H new ATOM 0 HZ1 LYS A 82 28.340 -86.685 -0.397 1.00 4.33 H new ATOM 0 HZ2 LYS A 82 29.575 -87.364 -1.343 1.00 4.33 H new ATOM 0 HZ3 LYS A 82 28.654 -86.074 -1.950 1.00 4.33 H new ATOM 1218 N GLU A 83 26.730 -85.887 -5.027 1.00 45.34 N ATOM 1219 CA GLU A 83 26.946 -84.492 -4.646 1.00 53.14 C ATOM 1220 C GLU A 83 26.239 -83.532 -5.614 1.00 41.52 C ATOM 1221 O GLU A 83 25.559 -82.600 -5.187 1.00 1.31 O ATOM 1222 CB GLU A 83 28.449 -84.180 -4.543 1.00 53.44 C ATOM 1223 CG GLU A 83 29.265 -84.622 -5.751 1.00 34.25 C ATOM 1224 CD GLU A 83 30.736 -84.250 -5.635 1.00 42.22 C ATOM 1225 OE1 GLU A 83 31.493 -84.995 -4.977 1.00 25.22 O ATOM 1226 OE2 GLU A 83 31.141 -83.205 -6.189 1.00 53.32 O ATOM 0 H GLU A 83 27.559 -86.357 -5.391 1.00 45.34 H new ATOM 0 HA GLU A 83 26.505 -84.341 -3.661 1.00 53.14 H new ATOM 0 HB2 GLU A 83 28.577 -83.106 -4.406 1.00 53.44 H new ATOM 0 HB3 GLU A 83 28.849 -84.665 -3.652 1.00 53.44 H new ATOM 0 HG2 GLU A 83 29.176 -85.702 -5.869 1.00 34.25 H new ATOM 0 HG3 GLU A 83 28.850 -84.168 -6.651 1.00 34.25 H new ATOM 1233 N GLN A 84 26.382 -83.776 -6.917 1.00 71.32 N ATOM 1234 CA GLN A 84 25.729 -82.943 -7.929 1.00 73.41 C ATOM 1235 C GLN A 84 24.212 -83.145 -7.904 1.00 4.41 C ATOM 1236 O GLN A 84 23.454 -82.188 -8.055 1.00 35.12 O ATOM 1237 CB GLN A 84 26.290 -83.242 -9.330 1.00 70.43 C ATOM 1238 CG GLN A 84 27.593 -82.513 -9.656 1.00 43.51 C ATOM 1239 CD GLN A 84 28.721 -82.837 -8.697 1.00 53.33 C ATOM 1240 OE1 GLN A 84 29.474 -83.787 -8.907 1.00 64.14 O ATOM 1241 NE2 GLN A 84 28.852 -82.046 -7.645 1.00 5.13 N ATOM 0 H GLN A 84 26.941 -84.540 -7.296 1.00 71.32 H new ATOM 0 HA GLN A 84 25.939 -81.900 -7.692 1.00 73.41 H new ATOM 0 HB2 GLN A 84 26.456 -84.316 -9.420 1.00 70.43 H new ATOM 0 HB3 GLN A 84 25.540 -82.972 -10.074 1.00 70.43 H new ATOM 0 HG2 GLN A 84 27.902 -82.772 -10.669 1.00 43.51 H new ATOM 0 HG3 GLN A 84 27.412 -81.438 -9.643 1.00 43.51 H new ATOM 0 HE21 GLN A 84 28.206 -81.269 -7.508 1.00 5.13 H new ATOM 0 HE22 GLN A 84 29.599 -82.213 -6.971 1.00 5.13 H new ATOM 1250 N VAL A 85 23.775 -84.391 -7.720 1.00 33.13 N ATOM 1251 CA VAL A 85 22.347 -84.691 -7.574 1.00 22.34 C ATOM 1252 C VAL A 85 21.786 -83.915 -6.380 1.00 73.43 C ATOM 1253 O VAL A 85 20.732 -83.281 -6.467 1.00 53.31 O ATOM 1254 CB VAL A 85 22.105 -86.211 -7.371 1.00 44.11 C ATOM 1255 CG1 VAL A 85 20.616 -86.519 -7.220 1.00 71.00 C ATOM 1256 CG2 VAL A 85 22.707 -87.011 -8.527 1.00 25.24 C ATOM 0 H VAL A 85 24.385 -85.207 -7.668 1.00 33.13 H new ATOM 0 HA VAL A 85 21.838 -84.389 -8.489 1.00 22.34 H new ATOM 0 HB VAL A 85 22.603 -86.509 -6.448 1.00 44.11 H new ATOM 0 HG11 VAL A 85 20.479 -87.591 -7.079 1.00 71.00 H new ATOM 0 HG12 VAL A 85 20.220 -85.986 -6.356 1.00 71.00 H new ATOM 0 HG13 VAL A 85 20.086 -86.200 -8.117 1.00 71.00 H new ATOM 0 HG21 VAL A 85 22.527 -88.074 -8.366 1.00 25.24 H new ATOM 0 HG22 VAL A 85 22.243 -86.702 -9.464 1.00 25.24 H new ATOM 0 HG23 VAL A 85 23.780 -86.828 -8.576 1.00 25.24 H new ATOM 1266 N ASP A 86 22.530 -83.950 -5.275 1.00 15.30 N ATOM 1267 CA ASP A 86 22.178 -83.205 -4.063 1.00 63.23 C ATOM 1268 C ASP A 86 22.128 -81.707 -4.357 1.00 64.31 C ATOM 1269 O ASP A 86 21.245 -80.989 -3.875 1.00 72.04 O ATOM 1270 CB ASP A 86 23.199 -83.499 -2.952 1.00 35.40 C ATOM 1271 CG ASP A 86 22.944 -82.705 -1.679 1.00 14.31 C ATOM 1272 OD1 ASP A 86 21.958 -83.002 -0.972 1.00 61.35 O ATOM 1273 OD2 ASP A 86 23.733 -81.787 -1.370 1.00 32.10 O ATOM 0 H ASP A 86 23.390 -84.492 -5.193 1.00 15.30 H new ATOM 0 HA ASP A 86 21.191 -83.523 -3.727 1.00 63.23 H new ATOM 0 HB2 ASP A 86 23.177 -84.564 -2.719 1.00 35.40 H new ATOM 0 HB3 ASP A 86 24.200 -83.274 -3.319 1.00 35.40 H new ATOM 1278 N ALA A 87 23.080 -81.247 -5.164 1.00 21.34 N ATOM 1279 CA ALA A 87 23.132 -79.854 -5.592 1.00 34.53 C ATOM 1280 C ALA A 87 21.877 -79.482 -6.375 1.00 20.20 C ATOM 1281 O ALA A 87 21.308 -78.403 -6.191 1.00 62.15 O ATOM 1282 CB ALA A 87 24.371 -79.615 -6.444 1.00 10.13 C ATOM 0 H ALA A 87 23.832 -81.826 -5.537 1.00 21.34 H new ATOM 0 HA ALA A 87 23.183 -79.223 -4.705 1.00 34.53 H new ATOM 0 HB1 ALA A 87 24.401 -78.572 -6.759 1.00 10.13 H new ATOM 0 HB2 ALA A 87 25.263 -79.844 -5.861 1.00 10.13 H new ATOM 0 HB3 ALA A 87 24.338 -80.258 -7.323 1.00 10.13 H new ATOM 1288 N PHE A 88 21.450 -80.388 -7.247 1.00 23.24 N ATOM 1289 CA PHE A 88 20.278 -80.160 -8.081 1.00 53.22 C ATOM 1290 C PHE A 88 19.022 -80.122 -7.211 1.00 41.43 C ATOM 1291 O PHE A 88 18.095 -79.357 -7.477 1.00 24.23 O ATOM 1292 CB PHE A 88 20.164 -81.250 -9.159 1.00 13.44 C ATOM 1293 CG PHE A 88 19.372 -80.823 -10.372 1.00 60.45 C ATOM 1294 CD1 PHE A 88 17.993 -80.979 -10.421 1.00 41.43 C ATOM 1295 CD2 PHE A 88 20.015 -80.261 -11.467 1.00 2.04 C ATOM 1296 CE1 PHE A 88 17.276 -80.587 -11.537 1.00 43.45 C ATOM 1297 CE2 PHE A 88 19.303 -79.867 -12.582 1.00 65.45 C ATOM 1298 CZ PHE A 88 17.932 -80.030 -12.619 1.00 72.11 C ATOM 0 H PHE A 88 21.901 -81.291 -7.394 1.00 23.24 H new ATOM 0 HA PHE A 88 20.382 -79.199 -8.585 1.00 53.22 H new ATOM 0 HB2 PHE A 88 21.165 -81.543 -9.474 1.00 13.44 H new ATOM 0 HB3 PHE A 88 19.696 -82.133 -8.723 1.00 13.44 H new ATOM 0 HD1 PHE A 88 17.474 -81.411 -9.578 1.00 41.43 H new ATOM 0 HD2 PHE A 88 21.087 -80.130 -11.446 1.00 2.04 H new ATOM 0 HE1 PHE A 88 16.204 -80.716 -11.563 1.00 43.45 H new ATOM 0 HE2 PHE A 88 19.818 -79.431 -13.425 1.00 65.45 H new ATOM 0 HZ PHE A 88 17.374 -79.723 -13.491 1.00 72.11 H new ATOM 1308 N VAL A 89 19.006 -80.954 -6.165 1.00 5.13 N ATOM 1309 CA VAL A 89 17.924 -80.930 -5.176 1.00 63.22 C ATOM 1310 C VAL A 89 17.861 -79.557 -4.504 1.00 22.42 C ATOM 1311 O VAL A 89 16.787 -78.956 -4.384 1.00 63.11 O ATOM 1312 CB VAL A 89 18.112 -82.021 -4.082 1.00 62.24 C ATOM 1313 CG1 VAL A 89 17.036 -81.910 -3.002 1.00 41.30 C ATOM 1314 CG2 VAL A 89 18.110 -83.420 -4.692 1.00 71.34 C ATOM 0 H VAL A 89 19.728 -81.651 -5.982 1.00 5.13 H new ATOM 0 HA VAL A 89 16.995 -81.135 -5.707 1.00 63.22 H new ATOM 0 HB VAL A 89 19.083 -81.853 -3.616 1.00 62.24 H new ATOM 0 HG11 VAL A 89 17.193 -82.685 -2.251 1.00 41.30 H new ATOM 0 HG12 VAL A 89 17.095 -80.930 -2.529 1.00 41.30 H new ATOM 0 HG13 VAL A 89 16.052 -82.037 -3.454 1.00 41.30 H new ATOM 0 HG21 VAL A 89 18.243 -84.161 -3.904 1.00 71.34 H new ATOM 0 HG22 VAL A 89 17.160 -83.595 -5.198 1.00 71.34 H new ATOM 0 HG23 VAL A 89 18.925 -83.505 -5.411 1.00 71.34 H new ATOM 1324 N LYS A 90 19.025 -79.063 -4.082 1.00 72.24 N ATOM 1325 CA LYS A 90 19.129 -77.752 -3.444 1.00 63.21 C ATOM 1326 C LYS A 90 18.533 -76.683 -4.361 1.00 31.12 C ATOM 1327 O LYS A 90 17.725 -75.854 -3.934 1.00 14.12 O ATOM 1328 CB LYS A 90 20.604 -77.425 -3.129 1.00 12.24 C ATOM 1329 CG LYS A 90 20.863 -77.010 -1.681 1.00 73.32 C ATOM 1330 CD LYS A 90 20.675 -78.175 -0.707 1.00 40.24 C ATOM 1331 CE LYS A 90 21.630 -79.327 -1.012 1.00 1.53 C ATOM 1332 NZ LYS A 90 21.512 -80.431 -0.024 1.00 60.33 N ATOM 0 H LYS A 90 19.914 -79.555 -4.172 1.00 72.24 H new ATOM 0 HA LYS A 90 18.572 -77.768 -2.507 1.00 63.21 H new ATOM 0 HB2 LYS A 90 21.214 -78.299 -3.359 1.00 12.24 H new ATOM 0 HB3 LYS A 90 20.935 -76.623 -3.789 1.00 12.24 H new ATOM 0 HG2 LYS A 90 21.878 -76.623 -1.591 1.00 73.32 H new ATOM 0 HG3 LYS A 90 20.187 -76.199 -1.410 1.00 73.32 H new ATOM 0 HD2 LYS A 90 20.839 -77.827 0.313 1.00 40.24 H new ATOM 0 HD3 LYS A 90 19.646 -78.531 -0.760 1.00 40.24 H new ATOM 0 HE2 LYS A 90 21.425 -79.712 -2.011 1.00 1.53 H new ATOM 0 HE3 LYS A 90 22.655 -78.955 -1.018 1.00 1.53 H new ATOM 0 HZ1 LYS A 90 22.439 -80.607 0.412 1.00 60.33 H new ATOM 0 HZ2 LYS A 90 20.827 -80.166 0.713 1.00 60.33 H new ATOM 0 HZ3 LYS A 90 21.187 -81.294 -0.505 1.00 60.33 H new ATOM 1346 N TYR A 91 18.925 -76.745 -5.631 1.00 10.11 N ATOM 1347 CA TYR A 91 18.407 -75.846 -6.659 1.00 12.44 C ATOM 1348 C TYR A 91 16.895 -75.998 -6.802 1.00 44.40 C ATOM 1349 O TYR A 91 16.172 -75.009 -6.898 1.00 2.03 O ATOM 1350 CB TYR A 91 19.102 -76.138 -8.001 1.00 54.24 C ATOM 1351 CG TYR A 91 18.389 -75.571 -9.218 1.00 52.31 C ATOM 1352 CD1 TYR A 91 18.385 -74.205 -9.485 1.00 71.31 C ATOM 1353 CD2 TYR A 91 17.722 -76.413 -10.106 1.00 52.30 C ATOM 1354 CE1 TYR A 91 17.740 -73.696 -10.597 1.00 23.41 C ATOM 1355 CE2 TYR A 91 17.076 -75.911 -11.217 1.00 24.51 C ATOM 1356 CZ TYR A 91 17.088 -74.554 -11.460 1.00 4.44 C ATOM 1357 OH TYR A 91 16.451 -74.054 -12.572 1.00 53.33 O ATOM 0 H TYR A 91 19.609 -77.418 -5.976 1.00 10.11 H new ATOM 0 HA TYR A 91 18.616 -74.818 -6.362 1.00 12.44 H new ATOM 0 HB2 TYR A 91 20.114 -75.733 -7.967 1.00 54.24 H new ATOM 0 HB3 TYR A 91 19.194 -77.218 -8.120 1.00 54.24 H new ATOM 0 HD1 TYR A 91 18.894 -73.531 -8.812 1.00 71.31 H new ATOM 0 HD2 TYR A 91 17.711 -77.477 -9.921 1.00 52.30 H new ATOM 0 HE1 TYR A 91 17.746 -72.633 -10.789 1.00 23.41 H new ATOM 0 HE2 TYR A 91 16.563 -76.578 -11.894 1.00 24.51 H new ATOM 0 HH TYR A 91 15.635 -73.585 -12.298 1.00 53.33 H new ATOM 1367 N LEU A 92 16.433 -77.244 -6.803 1.00 51.34 N ATOM 1368 CA LEU A 92 15.021 -77.557 -7.009 1.00 60.14 C ATOM 1369 C LEU A 92 14.171 -76.952 -5.887 1.00 5.34 C ATOM 1370 O LEU A 92 13.051 -76.496 -6.118 1.00 21.55 O ATOM 1371 CB LEU A 92 14.828 -79.087 -7.076 1.00 42.10 C ATOM 1372 CG LEU A 92 13.824 -79.593 -8.127 1.00 14.12 C ATOM 1373 CD1 LEU A 92 12.428 -79.028 -7.885 1.00 1.11 C ATOM 1374 CD2 LEU A 92 14.308 -79.253 -9.537 1.00 4.50 C ATOM 0 H LEU A 92 17.023 -78.064 -6.662 1.00 51.34 H new ATOM 0 HA LEU A 92 14.695 -77.122 -7.954 1.00 60.14 H new ATOM 0 HB2 LEU A 92 15.796 -79.547 -7.275 1.00 42.10 H new ATOM 0 HB3 LEU A 92 14.505 -79.436 -6.095 1.00 42.10 H new ATOM 0 HG LEU A 92 13.761 -80.677 -8.032 1.00 14.12 H new ATOM 0 HD11 LEU A 92 11.745 -79.406 -8.646 1.00 1.11 H new ATOM 0 HD12 LEU A 92 12.078 -79.333 -6.899 1.00 1.11 H new ATOM 0 HD13 LEU A 92 12.462 -77.940 -7.937 1.00 1.11 H new ATOM 0 HD21 LEU A 92 13.586 -79.618 -10.267 1.00 4.50 H new ATOM 0 HD22 LEU A 92 14.410 -78.172 -9.636 1.00 4.50 H new ATOM 0 HD23 LEU A 92 15.274 -79.726 -9.714 1.00 4.50 H new ATOM 1386 N HIS A 93 14.718 -76.947 -4.672 1.00 5.42 N ATOM 1387 CA HIS A 93 14.021 -76.380 -3.518 1.00 23.34 C ATOM 1388 C HIS A 93 13.803 -74.877 -3.687 1.00 11.23 C ATOM 1389 O HIS A 93 12.781 -74.337 -3.258 1.00 14.15 O ATOM 1390 CB HIS A 93 14.799 -76.658 -2.221 1.00 35.40 C ATOM 1391 CG HIS A 93 14.622 -78.050 -1.691 1.00 30.45 C ATOM 1392 ND1 HIS A 93 14.702 -79.254 -2.307 1.00 2.31 N flip ATOM 1393 CD2 HIS A 93 14.327 -78.318 -0.371 1.00 73.34 C flip ATOM 1394 CE1 HIS A 93 14.457 -80.213 -1.358 1.00 65.23 C flip ATOM 1395 NE2 HIS A 93 14.234 -79.624 -0.201 1.00 2.30 N flip ATOM 0 H HIS A 93 15.640 -77.329 -4.461 1.00 5.42 H new ATOM 0 HA HIS A 93 13.046 -76.862 -3.453 1.00 23.34 H new ATOM 0 HB2 HIS A 93 15.859 -76.480 -2.400 1.00 35.40 H new ATOM 0 HB3 HIS A 93 14.481 -75.947 -1.459 1.00 35.40 H new ATOM 0 HD1 HIS A 93 14.906 -79.417 -3.293 1.00 2.31 H new ATOM 0 HD2 HIS A 93 14.193 -77.576 0.402 1.00 73.34 H new ATOM 0 HE1 HIS A 93 14.448 -81.279 -1.531 1.00 65.23 H new ATOM 1404 N LYS A 94 14.768 -74.213 -4.317 1.00 64.43 N ATOM 1405 CA LYS A 94 14.705 -72.769 -4.528 1.00 13.01 C ATOM 1406 C LYS A 94 13.927 -72.435 -5.802 1.00 4.10 C ATOM 1407 O LYS A 94 13.170 -71.461 -5.842 1.00 53.20 O ATOM 1408 CB LYS A 94 16.129 -72.190 -4.612 1.00 13.44 C ATOM 1409 CG LYS A 94 16.195 -70.714 -5.018 1.00 34.11 C ATOM 1410 CD LYS A 94 15.496 -69.794 -4.015 1.00 31.12 C ATOM 1411 CE LYS A 94 16.178 -69.810 -2.650 1.00 75.41 C ATOM 1412 NZ LYS A 94 15.558 -68.838 -1.713 1.00 1.31 N ATOM 0 H LYS A 94 15.607 -74.654 -4.692 1.00 64.43 H new ATOM 0 HA LYS A 94 14.182 -72.321 -3.683 1.00 13.01 H new ATOM 0 HB2 LYS A 94 16.613 -72.308 -3.643 1.00 13.44 H new ATOM 0 HB3 LYS A 94 16.704 -72.776 -5.329 1.00 13.44 H new ATOM 0 HG2 LYS A 94 17.239 -70.414 -5.114 1.00 34.11 H new ATOM 0 HG3 LYS A 94 15.736 -70.590 -5.999 1.00 34.11 H new ATOM 0 HD2 LYS A 94 15.487 -68.776 -4.403 1.00 31.12 H new ATOM 0 HD3 LYS A 94 14.456 -70.102 -3.904 1.00 31.12 H new ATOM 0 HE2 LYS A 94 16.119 -70.812 -2.226 1.00 75.41 H new ATOM 0 HE3 LYS A 94 17.236 -69.576 -2.769 1.00 75.41 H new ATOM 0 HZ1 LYS A 94 16.048 -68.878 -0.797 1.00 1.31 H new ATOM 0 HZ2 LYS A 94 15.637 -67.878 -2.106 1.00 1.31 H new ATOM 0 HZ3 LYS A 94 14.555 -69.076 -1.579 1.00 1.31 H new ATOM 1426 N GLY A 95 14.099 -73.259 -6.827 1.00 31.54 N ATOM 1427 CA GLY A 95 13.549 -72.949 -8.129 1.00 21.24 C ATOM 1428 C GLY A 95 14.242 -71.748 -8.749 1.00 10.52 C ATOM 1429 O GLY A 95 15.470 -71.703 -8.818 1.00 3.03 O ATOM 0 H GLY A 95 14.612 -74.139 -6.778 1.00 31.54 H new ATOM 0 HA2 GLY A 95 13.655 -73.812 -8.786 1.00 21.24 H new ATOM 0 HA3 GLY A 95 12.482 -72.748 -8.037 1.00 21.24 H new ATOM 1433 N SER A 96 13.459 -70.770 -9.190 1.00 75.45 N ATOM 1434 CA SER A 96 13.987 -69.542 -9.781 1.00 64.44 C ATOM 1435 C SER A 96 12.962 -68.420 -9.627 1.00 73.22 C ATOM 1436 O SER A 96 11.763 -68.687 -9.541 1.00 41.20 O ATOM 1437 CB SER A 96 14.320 -69.754 -11.267 1.00 73.31 C ATOM 1438 OG SER A 96 15.323 -70.740 -11.442 1.00 75.44 O ATOM 0 H SER A 96 12.440 -70.804 -9.149 1.00 75.45 H new ATOM 0 HA SER A 96 14.905 -69.268 -9.262 1.00 64.44 H new ATOM 0 HB2 SER A 96 13.419 -70.052 -11.803 1.00 73.31 H new ATOM 0 HB3 SER A 96 14.654 -68.813 -11.703 1.00 73.31 H new ATOM 0 HG SER A 96 14.947 -71.507 -11.923 1.00 75.44 H new ATOM 1444 N PRO A 97 13.410 -67.147 -9.608 1.00 15.32 N ATOM 1445 CA PRO A 97 12.521 -65.984 -9.421 1.00 63.34 C ATOM 1446 C PRO A 97 11.440 -65.876 -10.501 1.00 3.15 C ATOM 1447 O PRO A 97 10.496 -65.097 -10.368 1.00 13.01 O ATOM 1448 CB PRO A 97 13.481 -64.782 -9.494 1.00 53.52 C ATOM 1449 CG PRO A 97 14.691 -65.303 -10.199 1.00 13.42 C ATOM 1450 CD PRO A 97 14.818 -66.731 -9.763 1.00 51.42 C ATOM 0 HA PRO A 97 11.967 -66.051 -8.485 1.00 63.34 H new ATOM 0 HB2 PRO A 97 13.033 -63.951 -10.038 1.00 53.52 H new ATOM 0 HB3 PRO A 97 13.731 -64.414 -8.499 1.00 53.52 H new ATOM 0 HG2 PRO A 97 14.578 -65.231 -11.281 1.00 13.42 H new ATOM 0 HG3 PRO A 97 15.579 -64.730 -9.932 1.00 13.42 H new ATOM 0 HD2 PRO A 97 15.340 -67.336 -10.504 1.00 51.42 H new ATOM 0 HD3 PRO A 97 15.373 -66.822 -8.829 1.00 51.42 H new ATOM 1458 N LYS A 98 11.582 -66.661 -11.569 1.00 53.54 N ATOM 1459 CA LYS A 98 10.630 -66.619 -12.678 1.00 24.34 C ATOM 1460 C LYS A 98 9.325 -67.337 -12.313 1.00 74.31 C ATOM 1461 O LYS A 98 8.268 -67.031 -12.861 1.00 21.32 O ATOM 1462 CB LYS A 98 11.241 -67.264 -13.935 1.00 51.22 C ATOM 1463 CG LYS A 98 10.426 -67.015 -15.205 1.00 43.41 C ATOM 1464 CD LYS A 98 10.905 -67.868 -16.378 1.00 31.02 C ATOM 1465 CE LYS A 98 10.256 -67.441 -17.695 1.00 2.21 C ATOM 1466 NZ LYS A 98 8.775 -67.319 -17.588 1.00 75.23 N ATOM 0 H LYS A 98 12.343 -67.330 -11.689 1.00 53.54 H new ATOM 0 HA LYS A 98 10.405 -65.572 -12.883 1.00 24.34 H new ATOM 0 HB2 LYS A 98 12.250 -66.877 -14.078 1.00 51.22 H new ATOM 0 HB3 LYS A 98 11.331 -68.338 -13.775 1.00 51.22 H new ATOM 0 HG2 LYS A 98 9.376 -67.229 -15.008 1.00 43.41 H new ATOM 0 HG3 LYS A 98 10.491 -65.961 -15.475 1.00 43.41 H new ATOM 0 HD2 LYS A 98 11.989 -67.790 -16.465 1.00 31.02 H new ATOM 0 HD3 LYS A 98 10.675 -68.916 -16.183 1.00 31.02 H new ATOM 0 HE2 LYS A 98 10.674 -66.485 -18.009 1.00 2.21 H new ATOM 0 HE3 LYS A 98 10.503 -68.167 -18.470 1.00 2.21 H new ATOM 0 HZ1 LYS A 98 8.364 -67.229 -18.539 1.00 75.23 H new ATOM 0 HZ2 LYS A 98 8.390 -68.166 -17.123 1.00 75.23 H new ATOM 0 HZ3 LYS A 98 8.536 -66.477 -17.027 1.00 75.23 H new ATOM 1480 N SER A 99 9.400 -68.294 -11.390 1.00 22.33 N ATOM 1481 CA SER A 99 8.234 -69.092 -11.006 1.00 33.13 C ATOM 1482 C SER A 99 8.346 -69.544 -9.551 1.00 51.15 C ATOM 1483 O SER A 99 9.411 -69.973 -9.103 1.00 65.20 O ATOM 1484 CB SER A 99 8.098 -70.305 -11.936 1.00 24.15 C ATOM 1485 OG SER A 99 7.960 -69.893 -13.289 1.00 42.35 O ATOM 0 H SER A 99 10.257 -68.537 -10.893 1.00 22.33 H new ATOM 0 HA SER A 99 7.342 -68.474 -11.102 1.00 33.13 H new ATOM 0 HB2 SER A 99 8.973 -70.946 -11.834 1.00 24.15 H new ATOM 0 HB3 SER A 99 7.232 -70.898 -11.642 1.00 24.15 H new ATOM 0 HG SER A 99 7.876 -70.682 -13.864 1.00 42.35 H new ATOM 1491 N VAL A 100 7.238 -69.453 -8.821 1.00 74.22 N ATOM 1492 CA VAL A 100 7.226 -69.753 -7.394 1.00 45.42 C ATOM 1493 C VAL A 100 6.859 -71.215 -7.139 1.00 51.00 C ATOM 1494 O VAL A 100 5.688 -71.592 -7.179 1.00 74.34 O ATOM 1495 CB VAL A 100 6.236 -68.833 -6.634 1.00 21.34 C ATOM 1496 CG1 VAL A 100 6.285 -69.114 -5.133 1.00 13.01 C ATOM 1497 CG2 VAL A 100 6.535 -67.362 -6.923 1.00 20.43 C ATOM 0 H VAL A 100 6.333 -69.172 -9.198 1.00 74.22 H new ATOM 0 HA VAL A 100 8.234 -69.571 -7.021 1.00 45.42 H new ATOM 0 HB VAL A 100 5.228 -69.048 -6.987 1.00 21.34 H new ATOM 0 HG11 VAL A 100 5.583 -68.459 -4.617 1.00 13.01 H new ATOM 0 HG12 VAL A 100 6.014 -70.153 -4.948 1.00 13.01 H new ATOM 0 HG13 VAL A 100 7.293 -68.931 -4.761 1.00 13.01 H new ATOM 0 HG21 VAL A 100 5.829 -66.734 -6.380 1.00 20.43 H new ATOM 0 HG22 VAL A 100 7.550 -67.127 -6.603 1.00 20.43 H new ATOM 0 HG23 VAL A 100 6.439 -67.175 -7.993 1.00 20.43 H new ATOM 1507 N VAL A 101 7.872 -72.035 -6.895 1.00 73.33 N ATOM 1508 CA VAL A 101 7.672 -73.447 -6.569 1.00 33.12 C ATOM 1509 C VAL A 101 6.990 -73.584 -5.210 1.00 14.21 C ATOM 1510 O VAL A 101 7.291 -72.841 -4.275 1.00 71.23 O ATOM 1511 CB VAL A 101 9.006 -74.237 -6.579 1.00 1.53 C ATOM 1512 CG1 VAL A 101 9.599 -74.273 -7.986 1.00 0.11 C ATOM 1513 CG2 VAL A 101 10.005 -73.647 -5.587 1.00 23.20 C ATOM 0 H VAL A 101 8.850 -71.747 -6.916 1.00 73.33 H new ATOM 0 HA VAL A 101 7.030 -73.874 -7.340 1.00 33.12 H new ATOM 0 HB VAL A 101 8.792 -75.260 -6.268 1.00 1.53 H new ATOM 0 HG11 VAL A 101 10.535 -74.832 -7.972 1.00 0.11 H new ATOM 0 HG12 VAL A 101 8.897 -74.758 -8.664 1.00 0.11 H new ATOM 0 HG13 VAL A 101 9.789 -73.255 -8.327 1.00 0.11 H new ATOM 0 HG21 VAL A 101 10.930 -74.222 -5.617 1.00 23.20 H new ATOM 0 HG22 VAL A 101 10.213 -72.611 -5.853 1.00 23.20 H new ATOM 0 HG23 VAL A 101 9.586 -73.686 -4.582 1.00 23.20 H new ATOM 1523 N LYS A 102 6.061 -74.528 -5.109 1.00 25.24 N ATOM 1524 CA LYS A 102 5.260 -74.691 -3.898 1.00 22.23 C ATOM 1525 C LYS A 102 5.766 -75.856 -3.051 1.00 52.51 C ATOM 1526 O LYS A 102 6.120 -75.679 -1.883 1.00 64.20 O ATOM 1527 CB LYS A 102 3.786 -74.910 -4.272 1.00 14.41 C ATOM 1528 CG LYS A 102 2.843 -75.013 -3.074 1.00 2.24 C ATOM 1529 CD LYS A 102 2.871 -73.750 -2.217 1.00 35.55 C ATOM 1530 CE LYS A 102 1.838 -73.806 -1.098 1.00 34.44 C ATOM 1531 NZ LYS A 102 0.446 -73.878 -1.624 1.00 11.03 N ATOM 0 H LYS A 102 5.843 -75.193 -5.851 1.00 25.24 H new ATOM 0 HA LYS A 102 5.351 -73.781 -3.305 1.00 22.23 H new ATOM 0 HB2 LYS A 102 3.458 -74.088 -4.908 1.00 14.41 H new ATOM 0 HB3 LYS A 102 3.705 -75.822 -4.863 1.00 14.41 H new ATOM 0 HG2 LYS A 102 1.827 -75.190 -3.426 1.00 2.24 H new ATOM 0 HG3 LYS A 102 3.123 -75.872 -2.464 1.00 2.24 H new ATOM 0 HD2 LYS A 102 3.865 -73.623 -1.789 1.00 35.55 H new ATOM 0 HD3 LYS A 102 2.681 -72.880 -2.845 1.00 35.55 H new ATOM 0 HE2 LYS A 102 2.033 -74.674 -0.469 1.00 34.44 H new ATOM 0 HE3 LYS A 102 1.941 -72.924 -0.466 1.00 34.44 H new ATOM 0 HZ1 LYS A 102 -0.225 -73.644 -0.864 1.00 11.03 H new ATOM 0 HZ2 LYS A 102 0.335 -73.201 -2.405 1.00 11.03 H new ATOM 0 HZ3 LYS A 102 0.255 -74.840 -1.970 1.00 11.03 H new ATOM 1545 N LYS A 103 5.810 -77.040 -3.647 1.00 12.03 N ATOM 1546 CA LYS A 103 6.168 -78.259 -2.924 1.00 72.44 C ATOM 1547 C LYS A 103 6.988 -79.187 -3.815 1.00 14.24 C ATOM 1548 O LYS A 103 6.613 -79.447 -4.959 1.00 53.50 O ATOM 1549 CB LYS A 103 4.895 -78.974 -2.443 1.00 61.22 C ATOM 1550 CG LYS A 103 5.153 -80.265 -1.666 1.00 3.35 C ATOM 1551 CD LYS A 103 5.941 -80.013 -0.382 1.00 22.31 C ATOM 1552 CE LYS A 103 6.200 -81.303 0.390 1.00 15.43 C ATOM 1553 NZ LYS A 103 7.024 -81.063 1.605 1.00 35.52 N ATOM 0 H LYS A 103 5.601 -77.185 -4.635 1.00 12.03 H new ATOM 0 HA LYS A 103 6.773 -77.988 -2.059 1.00 72.44 H new ATOM 0 HB2 LYS A 103 4.326 -78.292 -1.812 1.00 61.22 H new ATOM 0 HB3 LYS A 103 4.272 -79.203 -3.308 1.00 61.22 H new ATOM 0 HG2 LYS A 103 4.201 -80.737 -1.421 1.00 3.35 H new ATOM 0 HG3 LYS A 103 5.702 -80.964 -2.297 1.00 3.35 H new ATOM 0 HD2 LYS A 103 6.892 -79.540 -0.627 1.00 22.31 H new ATOM 0 HD3 LYS A 103 5.391 -79.316 0.250 1.00 22.31 H new ATOM 0 HE2 LYS A 103 5.249 -81.751 0.678 1.00 15.43 H new ATOM 0 HE3 LYS A 103 6.707 -82.019 -0.257 1.00 15.43 H new ATOM 0 HZ1 LYS A 103 7.179 -81.963 2.103 1.00 35.52 H new ATOM 0 HZ2 LYS A 103 7.941 -80.658 1.328 1.00 35.52 H new ATOM 0 HZ3 LYS A 103 6.529 -80.400 2.235 1.00 35.52 H new ATOM 1567 N VAL A 104 8.107 -79.676 -3.287 1.00 20.25 N ATOM 1568 CA VAL A 104 8.982 -80.585 -4.023 1.00 63.52 C ATOM 1569 C VAL A 104 8.955 -81.978 -3.388 1.00 23.40 C ATOM 1570 O VAL A 104 8.871 -82.110 -2.163 1.00 41.12 O ATOM 1571 CB VAL A 104 10.441 -80.052 -4.071 1.00 12.25 C ATOM 1572 CG1 VAL A 104 11.010 -79.856 -2.667 1.00 24.45 C ATOM 1573 CG2 VAL A 104 11.336 -80.976 -4.897 1.00 13.11 C ATOM 0 H VAL A 104 8.431 -79.456 -2.345 1.00 20.25 H new ATOM 0 HA VAL A 104 8.611 -80.649 -5.046 1.00 63.52 H new ATOM 0 HB VAL A 104 10.418 -79.077 -4.559 1.00 12.25 H new ATOM 0 HG11 VAL A 104 12.032 -79.483 -2.737 1.00 24.45 H new ATOM 0 HG12 VAL A 104 10.397 -79.137 -2.123 1.00 24.45 H new ATOM 0 HG13 VAL A 104 11.008 -80.809 -2.137 1.00 24.45 H new ATOM 0 HG21 VAL A 104 12.351 -80.579 -4.914 1.00 13.11 H new ATOM 0 HG22 VAL A 104 11.342 -81.971 -4.451 1.00 13.11 H new ATOM 0 HG23 VAL A 104 10.953 -81.038 -5.916 1.00 13.11 H new ATOM 1583 N SER A 105 8.998 -83.008 -4.226 1.00 70.15 N ATOM 1584 CA SER A 105 8.991 -84.390 -3.776 1.00 14.10 C ATOM 1585 C SER A 105 9.994 -85.192 -4.596 1.00 74.04 C ATOM 1586 O SER A 105 10.013 -85.099 -5.826 1.00 24.02 O ATOM 1587 CB SER A 105 7.582 -84.983 -3.917 1.00 4.52 C ATOM 1588 OG SER A 105 6.635 -84.206 -3.199 1.00 72.03 O ATOM 0 H SER A 105 9.039 -82.905 -5.240 1.00 70.15 H new ATOM 0 HA SER A 105 9.276 -84.433 -2.725 1.00 14.10 H new ATOM 0 HB2 SER A 105 7.303 -85.023 -4.970 1.00 4.52 H new ATOM 0 HB3 SER A 105 7.575 -86.008 -3.546 1.00 4.52 H new ATOM 0 HG SER A 105 5.743 -84.599 -3.303 1.00 72.03 H new ATOM 1594 N ILE A 106 10.845 -85.953 -3.917 1.00 60.24 N ATOM 1595 CA ILE A 106 11.880 -86.736 -4.587 1.00 10.30 C ATOM 1596 C ILE A 106 11.643 -88.233 -4.347 1.00 61.14 C ATOM 1597 O ILE A 106 10.974 -88.613 -3.379 1.00 52.41 O ATOM 1598 CB ILE A 106 13.298 -86.329 -4.088 1.00 72.12 C ATOM 1599 CG1 ILE A 106 13.447 -84.795 -4.051 1.00 61.14 C ATOM 1600 CG2 ILE A 106 14.372 -86.935 -4.986 1.00 61.45 C ATOM 1601 CD1 ILE A 106 13.333 -84.126 -5.408 1.00 61.02 C ATOM 0 H ILE A 106 10.839 -86.045 -2.901 1.00 60.24 H new ATOM 0 HA ILE A 106 11.826 -86.532 -5.656 1.00 10.30 H new ATOM 0 HB ILE A 106 13.424 -86.714 -3.076 1.00 72.12 H new ATOM 0 HG12 ILE A 106 12.684 -84.383 -3.390 1.00 61.14 H new ATOM 0 HG13 ILE A 106 14.415 -84.546 -3.616 1.00 61.14 H new ATOM 0 HG21 ILE A 106 15.357 -86.641 -4.624 1.00 61.45 H new ATOM 0 HG22 ILE A 106 14.289 -88.022 -4.970 1.00 61.45 H new ATOM 0 HG23 ILE A 106 14.238 -86.576 -6.006 1.00 61.45 H new ATOM 0 HD11 ILE A 106 13.449 -83.048 -5.293 1.00 61.02 H new ATOM 0 HD12 ILE A 106 14.112 -84.507 -6.068 1.00 61.02 H new ATOM 0 HD13 ILE A 106 12.355 -84.342 -5.839 1.00 61.02 H new ATOM 1613 N HIS A 107 12.177 -89.080 -5.230 1.00 62.33 N ATOM 1614 CA HIS A 107 11.972 -90.526 -5.138 1.00 42.21 C ATOM 1615 C HIS A 107 13.293 -91.281 -5.310 1.00 3.14 C ATOM 1616 O HIS A 107 14.136 -90.908 -6.112 1.00 44.31 O ATOM 1617 CB HIS A 107 10.943 -90.979 -6.180 1.00 1.15 C ATOM 1618 CG HIS A 107 10.629 -92.443 -6.145 1.00 52.33 C ATOM 1619 ND1 HIS A 107 10.978 -93.443 -6.988 1.00 63.51 N flip ATOM 1620 CD2 HIS A 107 9.864 -93.027 -5.160 1.00 51.43 C flip ATOM 1621 CE1 HIS A 107 10.423 -94.595 -6.501 1.00 61.40 C flip ATOM 1622 NE2 HIS A 107 9.757 -94.321 -5.399 1.00 21.31 N flip ATOM 0 H HIS A 107 12.755 -88.788 -6.018 1.00 62.33 H new ATOM 0 HA HIS A 107 11.587 -90.758 -4.145 1.00 42.21 H new ATOM 0 HB2 HIS A 107 10.020 -90.418 -6.029 1.00 1.15 H new ATOM 0 HB3 HIS A 107 11.313 -90.723 -7.173 1.00 1.15 H new ATOM 0 HD2 HIS A 107 9.421 -92.508 -4.323 1.00 51.43 H new ATOM 0 HE1 HIS A 107 10.516 -95.573 -6.949 1.00 61.40 H new ATOM 0 HE2 HIS A 107 9.246 -94.994 -4.827 1.00 21.31 H new ATOM 1631 N ALA A 108 13.409 -92.373 -4.579 1.00 62.21 N ATOM 1632 CA ALA A 108 14.649 -93.140 -4.390 1.00 71.54 C ATOM 1633 C ALA A 108 15.158 -93.916 -5.617 1.00 51.20 C ATOM 1634 O ALA A 108 16.097 -94.699 -5.481 1.00 13.21 O ATOM 1635 CB ALA A 108 14.519 -94.064 -3.187 1.00 1.01 C ATOM 0 H ALA A 108 12.618 -92.775 -4.076 1.00 62.21 H new ATOM 0 HA ALA A 108 15.415 -92.384 -4.216 1.00 71.54 H new ATOM 0 HB1 ALA A 108 15.444 -94.626 -3.058 1.00 1.01 H new ATOM 0 HB2 ALA A 108 14.327 -93.472 -2.292 1.00 1.01 H new ATOM 0 HB3 ALA A 108 13.693 -94.757 -3.348 1.00 1.01 H new ATOM 1641 N SER A 109 14.557 -93.732 -6.788 1.00 22.12 N ATOM 1642 CA SER A 109 14.637 -94.719 -7.875 1.00 13.31 C ATOM 1643 C SER A 109 16.073 -95.017 -8.308 1.00 70.35 C ATOM 1644 O SER A 109 16.914 -94.127 -8.377 1.00 20.01 O ATOM 1645 CB SER A 109 13.919 -94.138 -9.090 1.00 75.32 C ATOM 1646 OG SER A 109 14.498 -92.892 -9.447 1.00 74.32 O ATOM 0 H SER A 109 14.004 -92.905 -7.016 1.00 22.12 H new ATOM 0 HA SER A 109 14.190 -95.643 -7.508 1.00 13.31 H new ATOM 0 HB2 SER A 109 13.985 -94.832 -9.928 1.00 75.32 H new ATOM 0 HB3 SER A 109 12.860 -94.006 -8.868 1.00 75.32 H new ATOM 0 HG SER A 109 13.797 -92.284 -9.761 1.00 74.32 H new ATOM 1652 N SER A 110 16.322 -96.289 -8.607 1.00 53.15 N ATOM 1653 CA SER A 110 17.634 -96.755 -9.038 1.00 44.34 C ATOM 1654 C SER A 110 17.959 -96.261 -10.455 1.00 21.33 C ATOM 1655 O SER A 110 17.139 -95.597 -11.094 1.00 40.12 O ATOM 1656 CB SER A 110 17.683 -98.287 -8.970 1.00 20.12 C ATOM 1657 OG SER A 110 17.323 -98.746 -7.672 1.00 61.20 O ATOM 0 H SER A 110 15.618 -97.025 -8.557 1.00 53.15 H new ATOM 0 HA SER A 110 18.389 -96.344 -8.368 1.00 44.34 H new ATOM 0 HB2 SER A 110 17.006 -98.710 -9.711 1.00 20.12 H new ATOM 0 HB3 SER A 110 18.686 -98.635 -9.219 1.00 20.12 H new ATOM 0 HG SER A 110 17.359 -99.725 -7.650 1.00 61.20 H new ATOM 1663 N ARG A 111 19.156 -96.605 -10.933 1.00 10.21 N ATOM 1664 CA ARG A 111 19.692 -96.090 -12.197 1.00 70.34 C ATOM 1665 C ARG A 111 18.706 -96.248 -13.361 1.00 33.55 C ATOM 1666 O ARG A 111 18.146 -97.324 -13.576 1.00 43.23 O ATOM 1667 CB ARG A 111 21.008 -96.804 -12.532 1.00 25.13 C ATOM 1668 CG ARG A 111 21.781 -96.176 -13.688 1.00 15.51 C ATOM 1669 CD ARG A 111 23.101 -96.899 -13.946 1.00 32.52 C ATOM 1670 NE ARG A 111 24.004 -96.106 -14.790 1.00 21.10 N ATOM 1671 CZ ARG A 111 25.337 -96.098 -14.670 1.00 63.31 C ATOM 1672 NH1 ARG A 111 25.943 -96.891 -13.791 1.00 42.52 N ATOM 1673 NH2 ARG A 111 26.064 -95.298 -15.438 1.00 12.12 N ATOM 0 H ARG A 111 19.784 -97.250 -10.454 1.00 10.21 H new ATOM 0 HA ARG A 111 19.867 -95.022 -12.063 1.00 70.34 H new ATOM 0 HB2 ARG A 111 21.642 -96.809 -11.645 1.00 25.13 H new ATOM 0 HB3 ARG A 111 20.793 -97.844 -12.776 1.00 25.13 H new ATOM 0 HG2 ARG A 111 21.170 -96.202 -14.590 1.00 15.51 H new ATOM 0 HG3 ARG A 111 21.978 -95.127 -13.466 1.00 15.51 H new ATOM 0 HD2 ARG A 111 23.589 -97.115 -12.995 1.00 32.52 H new ATOM 0 HD3 ARG A 111 22.902 -97.857 -14.427 1.00 32.52 H new ATOM 0 HE ARG A 111 23.588 -95.523 -15.516 1.00 21.10 H new ATOM 0 HH11 ARG A 111 25.391 -97.513 -13.200 1.00 42.52 H new ATOM 0 HH12 ARG A 111 26.959 -96.877 -13.708 1.00 42.52 H new ATOM 0 HH21 ARG A 111 25.607 -94.691 -16.118 1.00 12.12 H new ATOM 0 HH22 ARG A 111 27.080 -95.290 -15.348 1.00 12.12 H new ATOM 1687 N VAL A 112 18.512 -95.156 -14.101 1.00 42.33 N ATOM 1688 CA VAL A 112 17.664 -95.135 -15.297 1.00 22.53 C ATOM 1689 C VAL A 112 18.495 -94.705 -16.509 1.00 21.24 C ATOM 1690 O VAL A 112 19.682 -94.403 -16.369 1.00 51.15 O ATOM 1691 CB VAL A 112 16.461 -94.167 -15.130 1.00 42.34 C ATOM 1692 CG1 VAL A 112 15.553 -94.621 -13.989 1.00 12.25 C ATOM 1693 CG2 VAL A 112 16.942 -92.730 -14.907 1.00 12.43 C ATOM 0 H VAL A 112 18.940 -94.255 -13.888 1.00 42.33 H new ATOM 0 HA VAL A 112 17.272 -96.141 -15.446 1.00 22.53 H new ATOM 0 HB VAL A 112 15.881 -94.188 -16.052 1.00 42.34 H new ATOM 0 HG11 VAL A 112 14.718 -93.928 -13.891 1.00 12.25 H new ATOM 0 HG12 VAL A 112 15.173 -95.620 -14.202 1.00 12.25 H new ATOM 0 HG13 VAL A 112 16.120 -94.640 -13.058 1.00 12.25 H new ATOM 0 HG21 VAL A 112 16.081 -92.072 -14.793 1.00 12.43 H new ATOM 0 HG22 VAL A 112 17.554 -92.687 -14.006 1.00 12.43 H new ATOM 0 HG23 VAL A 112 17.534 -92.408 -15.763 1.00 12.43 H new ATOM 1703 N ASP A 113 17.891 -94.710 -17.694 1.00 71.41 N ATOM 1704 CA ASP A 113 18.574 -94.244 -18.903 1.00 61.45 C ATOM 1705 C ASP A 113 18.172 -92.799 -19.206 1.00 54.52 C ATOM 1706 O ASP A 113 17.000 -92.514 -19.467 1.00 71.24 O ATOM 1707 CB ASP A 113 18.245 -95.150 -20.102 1.00 13.55 C ATOM 1708 CG ASP A 113 19.076 -94.808 -21.332 1.00 74.32 C ATOM 1709 OD1 ASP A 113 20.296 -95.081 -21.323 1.00 41.05 O ATOM 1710 OD2 ASP A 113 18.520 -94.276 -22.319 1.00 52.52 O ATOM 0 H ASP A 113 16.934 -95.030 -17.846 1.00 71.41 H new ATOM 0 HA ASP A 113 19.649 -94.286 -18.730 1.00 61.45 H new ATOM 0 HB2 ASP A 113 18.419 -96.190 -19.827 1.00 13.55 H new ATOM 0 HB3 ASP A 113 17.186 -95.057 -20.345 1.00 13.55 H new ATOM 1715 N ALA A 114 19.148 -91.893 -19.147 1.00 61.52 N ATOM 1716 CA ALA A 114 18.913 -90.466 -19.371 1.00 14.04 C ATOM 1717 C ALA A 114 18.323 -90.203 -20.759 1.00 42.21 C ATOM 1718 O ALA A 114 18.664 -90.886 -21.726 1.00 32.43 O ATOM 1719 CB ALA A 114 20.211 -89.687 -19.197 1.00 51.25 C ATOM 0 H ALA A 114 20.120 -92.126 -18.943 1.00 61.52 H new ATOM 0 HA ALA A 114 18.187 -90.128 -18.631 1.00 14.04 H new ATOM 0 HB1 ALA A 114 20.024 -88.626 -19.366 1.00 51.25 H new ATOM 0 HB2 ALA A 114 20.590 -89.832 -18.185 1.00 51.25 H new ATOM 0 HB3 ALA A 114 20.949 -90.044 -19.915 1.00 51.25 H new ATOM 1725 N ASP A 115 17.446 -89.202 -20.843 1.00 54.31 N ATOM 1726 CA ASP A 115 16.769 -88.853 -22.095 1.00 31.20 C ATOM 1727 C ASP A 115 16.983 -87.379 -22.440 1.00 74.33 C ATOM 1728 O ASP A 115 17.343 -87.048 -23.572 1.00 33.11 O ATOM 1729 CB ASP A 115 15.266 -89.168 -21.997 1.00 63.02 C ATOM 1730 CG ASP A 115 14.483 -88.754 -23.240 1.00 34.15 C ATOM 1731 OD1 ASP A 115 14.794 -89.257 -24.344 1.00 71.54 O ATOM 1732 OD2 ASP A 115 13.538 -87.948 -23.118 1.00 60.54 O ATOM 0 H ASP A 115 17.185 -88.613 -20.052 1.00 54.31 H new ATOM 0 HA ASP A 115 17.202 -89.455 -22.894 1.00 31.20 H new ATOM 0 HB2 ASP A 115 15.135 -90.238 -21.833 1.00 63.02 H new ATOM 0 HB3 ASP A 115 14.851 -88.659 -21.127 1.00 63.02 H new ATOM 1737 N GLY A 116 16.781 -86.496 -21.463 1.00 25.12 N ATOM 1738 CA GLY A 116 16.957 -85.072 -21.702 1.00 51.02 C ATOM 1739 C GLY A 116 16.076 -84.196 -20.822 1.00 52.42 C ATOM 1740 O GLY A 116 14.966 -84.583 -20.435 1.00 24.24 O ATOM 0 H GLY A 116 16.500 -86.740 -20.513 1.00 25.12 H new ATOM 0 HA2 GLY A 116 18.001 -84.809 -21.533 1.00 51.02 H new ATOM 0 HA3 GLY A 116 16.740 -84.857 -22.748 1.00 51.02 H new ATOM 1744 N PHE A 117 16.581 -83.014 -20.497 1.00 5.24 N ATOM 1745 CA PHE A 117 15.834 -82.049 -19.698 1.00 2.31 C ATOM 1746 C PHE A 117 15.130 -81.065 -20.627 1.00 32.41 C ATOM 1747 O PHE A 117 15.785 -80.259 -21.294 1.00 0.02 O ATOM 1748 CB PHE A 117 16.788 -81.287 -18.756 1.00 64.33 C ATOM 1749 CG PHE A 117 17.585 -82.174 -17.823 1.00 64.31 C ATOM 1750 CD1 PHE A 117 18.639 -82.946 -18.299 1.00 52.42 C ATOM 1751 CD2 PHE A 117 17.281 -82.234 -16.470 1.00 54.12 C ATOM 1752 CE1 PHE A 117 19.368 -83.754 -17.444 1.00 24.34 C ATOM 1753 CE2 PHE A 117 18.007 -83.040 -15.614 1.00 3.23 C ATOM 1754 CZ PHE A 117 19.051 -83.801 -16.101 1.00 43.44 C ATOM 0 H PHE A 117 17.510 -82.698 -20.776 1.00 5.24 H new ATOM 0 HA PHE A 117 15.095 -82.576 -19.095 1.00 2.31 H new ATOM 0 HB2 PHE A 117 17.480 -80.698 -19.358 1.00 64.33 H new ATOM 0 HB3 PHE A 117 16.206 -80.584 -18.160 1.00 64.33 H new ATOM 0 HD1 PHE A 117 18.892 -82.915 -19.349 1.00 52.42 H new ATOM 0 HD2 PHE A 117 16.466 -81.642 -16.081 1.00 54.12 H new ATOM 0 HE1 PHE A 117 20.185 -84.348 -17.827 1.00 24.34 H new ATOM 0 HE2 PHE A 117 17.758 -83.075 -14.564 1.00 3.23 H new ATOM 0 HZ PHE A 117 19.619 -84.432 -15.433 1.00 43.44 H new ATOM 1764 N GLU A 118 13.800 -81.122 -20.668 1.00 33.04 N ATOM 1765 CA GLU A 118 13.023 -80.231 -21.520 1.00 23.02 C ATOM 1766 C GLU A 118 11.567 -80.205 -21.072 1.00 63.02 C ATOM 1767 O GLU A 118 10.922 -81.246 -20.958 1.00 13.12 O ATOM 1768 CB GLU A 118 13.133 -80.657 -22.992 1.00 70.42 C ATOM 1769 CG GLU A 118 12.696 -82.094 -23.265 1.00 51.04 C ATOM 1770 CD GLU A 118 12.766 -82.459 -24.740 1.00 53.34 C ATOM 1771 OE1 GLU A 118 13.847 -82.882 -25.207 1.00 62.15 O ATOM 1772 OE2 GLU A 118 11.742 -82.323 -25.446 1.00 71.34 O ATOM 0 H GLU A 118 13.241 -81.776 -20.121 1.00 33.04 H new ATOM 0 HA GLU A 118 13.429 -79.223 -21.428 1.00 23.02 H new ATOM 0 HB2 GLU A 118 12.527 -79.984 -23.599 1.00 70.42 H new ATOM 0 HB3 GLU A 118 14.166 -80.536 -23.317 1.00 70.42 H new ATOM 0 HG2 GLU A 118 13.328 -82.776 -22.696 1.00 51.04 H new ATOM 0 HG3 GLU A 118 11.675 -82.233 -22.909 1.00 51.04 H new ATOM 1779 N ILE A 119 11.048 -79.013 -20.825 1.00 14.51 N ATOM 1780 CA ILE A 119 9.696 -78.871 -20.323 1.00 51.30 C ATOM 1781 C ILE A 119 8.702 -79.241 -21.424 1.00 62.21 C ATOM 1782 O ILE A 119 8.259 -78.397 -22.212 1.00 44.42 O ATOM 1783 CB ILE A 119 9.416 -77.440 -19.771 1.00 2.53 C ATOM 1784 CG1 ILE A 119 10.272 -77.148 -18.517 1.00 24.02 C ATOM 1785 CG2 ILE A 119 7.932 -77.271 -19.434 1.00 53.12 C ATOM 1786 CD1 ILE A 119 11.772 -77.173 -18.742 1.00 71.13 C ATOM 0 H ILE A 119 11.544 -78.133 -20.965 1.00 14.51 H new ATOM 0 HA ILE A 119 9.574 -79.553 -19.482 1.00 51.30 H new ATOM 0 HB ILE A 119 9.688 -76.728 -20.550 1.00 2.53 H new ATOM 0 HG12 ILE A 119 9.995 -76.169 -18.127 1.00 24.02 H new ATOM 0 HG13 ILE A 119 10.023 -77.879 -17.748 1.00 24.02 H new ATOM 0 HG21 ILE A 119 7.758 -76.266 -19.050 1.00 53.12 H new ATOM 0 HG22 ILE A 119 7.335 -77.425 -20.333 1.00 53.12 H new ATOM 0 HG23 ILE A 119 7.645 -78.002 -18.678 1.00 53.12 H new ATOM 0 HD11 ILE A 119 12.284 -76.957 -17.804 1.00 71.13 H new ATOM 0 HD12 ILE A 119 12.070 -78.159 -19.099 1.00 71.13 H new ATOM 0 HD13 ILE A 119 12.041 -76.421 -19.484 1.00 71.13 H new ATOM 1798 N ARG A 120 8.421 -80.534 -21.498 1.00 2.03 N ATOM 1799 CA ARG A 120 7.472 -81.091 -22.449 1.00 61.44 C ATOM 1800 C ARG A 120 6.047 -80.842 -21.987 1.00 32.31 C ATOM 1801 O ARG A 120 5.768 -80.844 -20.788 1.00 1.25 O ATOM 1802 CB ARG A 120 7.737 -82.591 -22.623 1.00 4.12 C ATOM 1803 CG ARG A 120 8.899 -82.892 -23.550 1.00 2.23 C ATOM 1804 CD ARG A 120 9.235 -84.381 -23.585 1.00 30.01 C ATOM 1805 NE ARG A 120 10.519 -84.639 -24.251 1.00 3.51 N ATOM 1806 CZ ARG A 120 11.358 -85.624 -23.911 1.00 12.41 C ATOM 1807 NH1 ARG A 120 11.055 -86.447 -22.917 1.00 3.32 N ATOM 1808 NH2 ARG A 120 12.506 -85.783 -24.557 1.00 2.32 N ATOM 0 H ARG A 120 8.851 -81.233 -20.892 1.00 2.03 H new ATOM 0 HA ARG A 120 7.601 -80.599 -23.413 1.00 61.44 H new ATOM 0 HB2 ARG A 120 7.936 -83.033 -21.647 1.00 4.12 H new ATOM 0 HB3 ARG A 120 6.838 -83.069 -23.012 1.00 4.12 H new ATOM 0 HG2 ARG A 120 8.657 -82.552 -24.557 1.00 2.23 H new ATOM 0 HG3 ARG A 120 9.775 -82.331 -23.226 1.00 2.23 H new ATOM 0 HD2 ARG A 120 9.270 -84.769 -22.567 1.00 30.01 H new ATOM 0 HD3 ARG A 120 8.442 -84.920 -24.104 1.00 30.01 H new ATOM 0 HE ARG A 120 10.788 -84.028 -25.022 1.00 3.51 H new ATOM 0 HH11 ARG A 120 10.179 -86.331 -22.408 1.00 3.32 H new ATOM 0 HH12 ARG A 120 11.698 -87.197 -22.661 1.00 3.32 H new ATOM 0 HH21 ARG A 120 12.754 -85.152 -25.319 1.00 2.32 H new ATOM 0 HH22 ARG A 120 13.140 -86.536 -24.292 1.00 2.32 H new ATOM 1822 N ARG A 121 5.156 -80.603 -22.939 1.00 14.01 N ATOM 1823 CA ARG A 121 3.762 -80.293 -22.625 1.00 75.33 C ATOM 1824 C ARG A 121 2.821 -81.132 -23.490 1.00 64.21 C ATOM 1825 O ARG A 121 2.430 -82.229 -23.047 1.00 51.44 O ATOM 1826 CB ARG A 121 3.476 -78.792 -22.821 1.00 72.42 C ATOM 1827 CG ARG A 121 4.447 -77.873 -22.083 1.00 14.51 C ATOM 1828 CD ARG A 121 3.955 -76.426 -22.044 1.00 12.45 C ATOM 1829 NE ARG A 121 3.537 -75.940 -23.362 1.00 4.53 N ATOM 1830 CZ ARG A 121 4.135 -74.951 -24.033 1.00 42.14 C ATOM 1831 NH1 ARG A 121 5.258 -74.403 -23.579 1.00 1.44 N ATOM 1832 NH2 ARG A 121 3.618 -74.522 -25.175 1.00 65.01 N ATOM 1833 OXT ARG A 121 2.487 -80.699 -24.613 1.00 0.00 O ATOM 0 H ARG A 121 5.370 -80.617 -23.936 1.00 14.01 H new ATOM 0 HA ARG A 121 3.586 -80.539 -21.578 1.00 75.33 H new ATOM 0 HB2 ARG A 121 3.512 -78.562 -23.886 1.00 72.42 H new ATOM 0 HB3 ARG A 121 2.462 -78.579 -22.483 1.00 72.42 H new ATOM 0 HG2 ARG A 121 4.585 -78.236 -21.064 1.00 14.51 H new ATOM 0 HG3 ARG A 121 5.422 -77.911 -22.570 1.00 14.51 H new ATOM 0 HD2 ARG A 121 3.118 -76.349 -21.350 1.00 12.45 H new ATOM 0 HD3 ARG A 121 4.749 -75.786 -21.659 1.00 12.45 H new ATOM 0 HE ARG A 121 2.732 -76.389 -23.799 1.00 4.53 H new ATOM 0 HH11 ARG A 121 5.673 -74.737 -22.709 1.00 1.44 H new ATOM 0 HH12 ARG A 121 5.705 -73.649 -24.101 1.00 1.44 H new ATOM 0 HH21 ARG A 121 2.765 -74.946 -25.540 1.00 65.01 H new ATOM 0 HH22 ARG A 121 4.073 -73.767 -25.689 1.00 65.01 H new