USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=26 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 37 CYS SG : rot 29:sc= 0.905 USER MOD Set 1.2: A 107 HIS : no HD1:sc= 0 X(o=0.9,f=0.9) USER MOD Set 2.1: A 69 ASN :FLIP amide:sc= 0.909 F(o=0.59,f=1.7) USER MOD Set 2.2: A 75 SER OG : rot 105:sc= 0.762 USER MOD Set 3.1: A 53 THR OG1 : rot 179:sc= 0.633 USER MOD Set 3.2: A 91 TYR OH : rot -125:sc= 1.64 USER MOD Single : A 34 THR OG1 : rot -160:sc=-0.00162 USER MOD Single : A 35 THR OG1 : rot 110:sc= -0.518 USER MOD Single : A 38 TYR OH : rot 80:sc= -0.955 USER MOD Single : A 41 THR OG1 : rot -63:sc= -0.995 USER MOD Single : A 51 LYS NZ :NH3+ 172:sc= -0.0131 (180deg=-0.127) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -173:sc= 0.896 (180deg=0.881) 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= -0.044 USER MOD Single : A 67 THR OG1 : rot 180:sc= -1.98! USER MOD Single : A 68 ASN : amide:sc= -2.65! C(o=-2.6!,f=-3.4!) USER MOD Single : A 73 SER OG : rot 84:sc= -0.143 USER MOD Single : A 79 GLN : amide:sc= -0.172 K(o=-0.17,f=-3.9!) USER MOD Single : A 82 LYS NZ :NH3+ -166:sc= 1.07 (180deg=0.907) USER MOD Single : A 84 GLN : amide:sc= -0.596 K(o=-0.6,f=-3.1!) USER MOD Single : A 90 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.131) USER MOD Single : A 93 HIS : no HD1:sc= -1.68 K(o=-1.7,f=-2.4!) USER MOD Single : A 94 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0483) USER MOD Single : A 96 SER OG : rot 130:sc= -0.0916 USER MOD Single : A 98 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0623) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -148:sc= 0.422 (180deg=-0.314) 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 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0.0289 USER MOD ----------------------------------------------------------------- ATOM 450 N VAL A 33 26.843 -93.408 -8.701 1.00 64.33 N ATOM 451 CA VAL A 33 25.889 -92.724 -9.557 1.00 3.41 C ATOM 452 C VAL A 33 24.511 -92.776 -8.922 1.00 52.31 C ATOM 453 O VAL A 33 23.764 -93.744 -9.076 1.00 55.05 O ATOM 454 CB VAL A 33 25.811 -93.336 -10.967 1.00 32.24 C ATOM 455 CG1 VAL A 33 24.891 -92.503 -11.858 1.00 21.34 C ATOM 456 CG2 VAL A 33 27.204 -93.475 -11.582 1.00 54.35 C ATOM 0 HA VAL A 33 26.233 -91.695 -9.661 1.00 3.41 H new ATOM 0 HB VAL A 33 25.388 -94.337 -10.886 1.00 32.24 H new ATOM 0 HG11 VAL A 33 24.846 -92.948 -12.852 1.00 21.34 H new ATOM 0 HG12 VAL A 33 23.891 -92.478 -11.426 1.00 21.34 H new ATOM 0 HG13 VAL A 33 25.279 -91.487 -11.933 1.00 21.34 H new ATOM 0 HG21 VAL A 33 27.120 -93.910 -12.578 1.00 54.35 H new ATOM 0 HG22 VAL A 33 27.670 -92.492 -11.653 1.00 54.35 H new ATOM 0 HG23 VAL A 33 27.816 -94.122 -10.954 1.00 54.35 H new ATOM 466 N THR A 34 24.196 -91.732 -8.204 1.00 32.15 N ATOM 467 CA THR A 34 22.945 -91.636 -7.478 1.00 71.11 C ATOM 468 C THR A 34 21.826 -91.198 -8.417 1.00 2.24 C ATOM 469 O THR A 34 22.004 -90.286 -9.226 1.00 60.35 O ATOM 470 CB THR A 34 23.071 -90.646 -6.299 1.00 3.00 C ATOM 471 OG1 THR A 34 24.151 -91.052 -5.442 1.00 50.55 O ATOM 472 CG2 THR A 34 21.778 -90.571 -5.490 1.00 1.10 C ATOM 0 H THR A 34 24.799 -90.916 -8.102 1.00 32.15 H new ATOM 0 HA THR A 34 22.704 -92.620 -7.075 1.00 71.11 H new ATOM 0 HB THR A 34 23.271 -89.656 -6.710 1.00 3.00 H new ATOM 0 HG1 THR A 34 24.040 -90.641 -4.559 1.00 50.55 H new ATOM 0 HG21 THR A 34 21.903 -89.865 -4.669 1.00 1.10 H new ATOM 0 HG22 THR A 34 20.964 -90.238 -6.134 1.00 1.10 H new ATOM 0 HG23 THR A 34 21.542 -91.557 -5.089 1.00 1.10 H new ATOM 480 N THR A 35 20.690 -91.874 -8.333 1.00 71.32 N ATOM 481 CA THR A 35 19.533 -91.539 -9.145 1.00 44.34 C ATOM 482 C THR A 35 18.317 -91.311 -8.260 1.00 64.43 C ATOM 483 O THR A 35 18.022 -92.118 -7.378 1.00 74.11 O ATOM 484 CB THR A 35 19.234 -92.645 -10.179 1.00 51.43 C ATOM 485 OG1 THR A 35 20.386 -92.838 -11.017 1.00 13.30 O ATOM 486 CG2 THR A 35 18.016 -92.293 -11.037 1.00 62.32 C ATOM 0 H THR A 35 20.546 -92.664 -7.705 1.00 71.32 H new ATOM 0 HA THR A 35 19.759 -90.621 -9.687 1.00 44.34 H new ATOM 0 HB THR A 35 19.008 -93.566 -9.642 1.00 51.43 H new ATOM 0 HG1 THR A 35 20.797 -93.704 -10.814 1.00 13.30 H new ATOM 0 HG21 THR A 35 17.833 -93.093 -11.755 1.00 62.32 H new ATOM 0 HG22 THR A 35 17.142 -92.173 -10.397 1.00 62.32 H new ATOM 0 HG23 THR A 35 18.204 -91.362 -11.572 1.00 62.32 H new ATOM 494 N LEU A 36 17.643 -90.192 -8.487 1.00 13.40 N ATOM 495 CA LEU A 36 16.436 -89.834 -7.752 1.00 32.23 C ATOM 496 C LEU A 36 15.450 -89.165 -8.700 1.00 30.20 C ATOM 497 O LEU A 36 15.840 -88.342 -9.531 1.00 35.32 O ATOM 498 CB LEU A 36 16.762 -88.890 -6.580 1.00 70.33 C ATOM 499 CG LEU A 36 17.575 -89.513 -5.427 1.00 3.23 C ATOM 500 CD1 LEU A 36 17.940 -88.457 -4.388 1.00 10.31 C ATOM 501 CD2 LEU A 36 16.806 -90.665 -4.773 1.00 4.14 C ATOM 0 H LEU A 36 17.918 -89.504 -9.188 1.00 13.40 H new ATOM 0 HA LEU A 36 15.995 -90.742 -7.341 1.00 32.23 H new ATOM 0 HB2 LEU A 36 17.314 -88.035 -6.969 1.00 70.33 H new ATOM 0 HB3 LEU A 36 15.826 -88.507 -6.174 1.00 70.33 H new ATOM 0 HG LEU A 36 18.497 -89.914 -5.848 1.00 3.23 H new ATOM 0 HD11 LEU A 36 18.513 -88.920 -3.585 1.00 10.31 H new ATOM 0 HD12 LEU A 36 18.539 -87.676 -4.857 1.00 10.31 H new ATOM 0 HD13 LEU A 36 17.030 -88.019 -3.979 1.00 10.31 H new ATOM 0 HD21 LEU A 36 17.402 -91.087 -3.963 1.00 4.14 H new ATOM 0 HD22 LEU A 36 15.863 -90.292 -4.374 1.00 4.14 H new ATOM 0 HD23 LEU A 36 16.606 -91.437 -5.516 1.00 4.14 H new ATOM 513 N CYS A 37 14.184 -89.531 -8.593 1.00 71.23 N ATOM 514 CA CYS A 37 13.151 -88.936 -9.431 1.00 40.31 C ATOM 515 C CYS A 37 12.640 -87.651 -8.787 1.00 32.44 C ATOM 516 O CYS A 37 12.409 -87.608 -7.577 1.00 34.41 O ATOM 517 CB CYS A 37 12.008 -89.931 -9.652 1.00 1.21 C ATOM 518 SG CYS A 37 10.597 -89.263 -10.563 1.00 21.43 S ATOM 0 H CYS A 37 13.845 -90.235 -7.937 1.00 71.23 H new ATOM 0 HA CYS A 37 13.576 -88.690 -10.404 1.00 40.31 H new ATOM 0 HB2 CYS A 37 12.395 -90.796 -10.191 1.00 1.21 H new ATOM 0 HB3 CYS A 37 11.662 -90.288 -8.682 1.00 1.21 H new ATOM 0 HG CYS A 37 11.003 -88.324 -11.365 1.00 21.43 H new ATOM 524 N TYR A 38 12.471 -86.615 -9.594 1.00 44.52 N ATOM 525 CA TYR A 38 12.054 -85.306 -9.108 1.00 13.14 C ATOM 526 C TYR A 38 10.647 -84.978 -9.589 1.00 33.50 C ATOM 527 O TYR A 38 10.283 -85.261 -10.731 1.00 34.40 O ATOM 528 CB TYR A 38 13.026 -84.218 -9.597 1.00 2.52 C ATOM 529 CG TYR A 38 14.302 -84.089 -8.781 1.00 51.01 C ATOM 530 CD1 TYR A 38 15.126 -85.181 -8.543 1.00 5.21 C ATOM 531 CD2 TYR A 38 14.680 -82.862 -8.248 1.00 74.21 C ATOM 532 CE1 TYR A 38 16.283 -85.053 -7.800 1.00 42.41 C ATOM 533 CE2 TYR A 38 15.837 -82.726 -7.507 1.00 41.03 C ATOM 534 CZ TYR A 38 16.635 -83.826 -7.286 1.00 0.42 C ATOM 535 OH TYR A 38 17.789 -83.698 -6.550 1.00 72.24 O ATOM 0 H TYR A 38 12.618 -86.656 -10.602 1.00 44.52 H new ATOM 0 HA TYR A 38 12.061 -85.333 -8.018 1.00 13.14 H new ATOM 0 HB2 TYR A 38 13.293 -84.428 -10.633 1.00 2.52 H new ATOM 0 HB3 TYR A 38 12.509 -83.259 -9.590 1.00 2.52 H new ATOM 0 HD1 TYR A 38 14.858 -86.147 -8.946 1.00 5.21 H new ATOM 0 HD2 TYR A 38 14.056 -81.997 -8.417 1.00 74.21 H new ATOM 0 HE1 TYR A 38 16.910 -85.914 -7.623 1.00 42.41 H new ATOM 0 HE2 TYR A 38 16.114 -81.763 -7.103 1.00 41.03 H new ATOM 0 HH TYR A 38 18.558 -83.640 -7.155 1.00 72.24 H new ATOM 545 N ARG A 39 9.863 -84.390 -8.698 1.00 41.31 N ATOM 546 CA ARG A 39 8.525 -83.922 -9.023 1.00 13.40 C ATOM 547 C ARG A 39 8.166 -82.743 -8.129 1.00 14.02 C ATOM 548 O ARG A 39 7.999 -82.894 -6.919 1.00 25.40 O ATOM 549 CB ARG A 39 7.499 -85.053 -8.850 1.00 74.33 C ATOM 550 CG ARG A 39 6.055 -84.616 -9.098 1.00 12.21 C ATOM 551 CD ARG A 39 5.078 -85.786 -9.017 1.00 54.31 C ATOM 552 NE ARG A 39 3.683 -85.347 -9.126 1.00 25.32 N ATOM 553 CZ ARG A 39 2.678 -86.125 -9.535 1.00 14.22 C ATOM 554 NH1 ARG A 39 2.901 -87.377 -9.919 1.00 32.13 N ATOM 555 NH2 ARG A 39 1.442 -85.641 -9.570 1.00 64.21 N ATOM 0 H ARG A 39 10.137 -84.224 -7.730 1.00 41.31 H new ATOM 0 HA ARG A 39 8.506 -83.602 -10.065 1.00 13.40 H new ATOM 0 HB2 ARG A 39 7.747 -85.864 -9.535 1.00 74.33 H new ATOM 0 HB3 ARG A 39 7.580 -85.453 -7.839 1.00 74.33 H new ATOM 0 HG2 ARG A 39 5.775 -83.859 -8.365 1.00 12.21 H new ATOM 0 HG3 ARG A 39 5.981 -84.150 -10.081 1.00 12.21 H new ATOM 0 HD2 ARG A 39 5.297 -86.497 -9.814 1.00 54.31 H new ATOM 0 HD3 ARG A 39 5.220 -86.312 -8.073 1.00 54.31 H new ATOM 0 HE ARG A 39 3.466 -84.383 -8.872 1.00 25.32 H new ATOM 0 HH11 ARG A 39 3.849 -87.754 -9.903 1.00 32.13 H new ATOM 0 HH12 ARG A 39 2.125 -87.961 -10.229 1.00 32.13 H new ATOM 0 HH21 ARG A 39 1.263 -84.678 -9.285 1.00 64.21 H new ATOM 0 HH22 ARG A 39 0.671 -86.232 -9.882 1.00 64.21 H new ATOM 569 N VAL A 40 8.074 -81.564 -8.727 1.00 72.34 N ATOM 570 CA VAL A 40 7.652 -80.371 -8.011 1.00 72.44 C ATOM 571 C VAL A 40 6.244 -79.995 -8.460 1.00 70.43 C ATOM 572 O VAL A 40 5.913 -80.083 -9.649 1.00 61.43 O ATOM 573 CB VAL A 40 8.622 -79.179 -8.233 1.00 33.24 C ATOM 574 CG1 VAL A 40 8.555 -78.670 -9.667 1.00 32.30 C ATOM 575 CG2 VAL A 40 8.338 -78.053 -7.240 1.00 22.25 C ATOM 0 H VAL A 40 8.288 -81.409 -9.712 1.00 72.34 H new ATOM 0 HA VAL A 40 7.662 -80.593 -6.944 1.00 72.44 H new ATOM 0 HB VAL A 40 9.636 -79.539 -8.057 1.00 33.24 H new ATOM 0 HG11 VAL A 40 9.246 -77.836 -9.790 1.00 32.30 H new ATOM 0 HG12 VAL A 40 8.830 -79.473 -10.351 1.00 32.30 H new ATOM 0 HG13 VAL A 40 7.541 -78.337 -9.888 1.00 32.30 H new ATOM 0 HG21 VAL A 40 9.030 -77.230 -7.416 1.00 22.25 H new ATOM 0 HG22 VAL A 40 7.315 -77.701 -7.372 1.00 22.25 H new ATOM 0 HG23 VAL A 40 8.466 -78.424 -6.223 1.00 22.25 H new ATOM 585 N THR A 41 5.430 -79.577 -7.508 1.00 2.24 N ATOM 586 CA THR A 41 4.020 -79.323 -7.750 1.00 62.42 C ATOM 587 C THR A 41 3.796 -77.868 -8.144 1.00 74.20 C ATOM 588 O THR A 41 4.256 -76.950 -7.459 1.00 2.33 O ATOM 589 CB THR A 41 3.188 -79.664 -6.492 1.00 55.34 C ATOM 590 OG1 THR A 41 3.799 -79.079 -5.333 1.00 61.12 O ATOM 591 CG2 THR A 41 3.069 -81.174 -6.299 1.00 64.10 C ATOM 0 H THR A 41 5.726 -79.404 -6.547 1.00 2.24 H new ATOM 0 HA THR A 41 3.695 -79.960 -8.572 1.00 62.42 H new ATOM 0 HB THR A 41 2.186 -79.256 -6.628 1.00 55.34 H new ATOM 0 HG1 THR A 41 4.684 -79.476 -5.195 1.00 61.12 H new ATOM 0 HG21 THR A 41 2.479 -81.381 -5.407 1.00 64.10 H new ATOM 0 HG22 THR A 41 2.580 -81.614 -7.168 1.00 64.10 H new ATOM 0 HG23 THR A 41 4.063 -81.606 -6.185 1.00 64.10 H new ATOM 599 N GLY A 42 3.099 -77.666 -9.256 1.00 41.40 N ATOM 600 CA GLY A 42 2.848 -76.329 -9.753 1.00 24.42 C ATOM 601 C GLY A 42 1.467 -75.837 -9.374 1.00 40.24 C ATOM 602 O GLY A 42 0.466 -76.489 -9.688 1.00 32.35 O ATOM 0 H GLY A 42 2.701 -78.412 -9.826 1.00 41.40 H new ATOM 0 HA2 GLY A 42 3.599 -75.647 -9.355 1.00 24.42 H new ATOM 0 HA3 GLY A 42 2.952 -76.319 -10.838 1.00 24.42 H new ATOM 684 N PHE A 48 9.022 -72.950 -15.158 1.00 44.21 N ATOM 685 CA PHE A 48 10.278 -73.353 -14.548 1.00 43.23 C ATOM 686 C PHE A 48 11.436 -72.967 -15.469 1.00 63.04 C ATOM 687 O PHE A 48 11.380 -73.205 -16.679 1.00 45.54 O ATOM 688 CB PHE A 48 10.248 -74.867 -14.280 1.00 61.12 C ATOM 689 CG PHE A 48 11.250 -75.351 -13.258 1.00 53.24 C ATOM 690 CD1 PHE A 48 11.091 -75.041 -11.914 1.00 42.11 C ATOM 691 CD2 PHE A 48 12.332 -76.131 -13.635 1.00 54.45 C ATOM 692 CE1 PHE A 48 11.992 -75.496 -10.971 1.00 23.41 C ATOM 693 CE2 PHE A 48 13.232 -76.591 -12.694 1.00 23.53 C ATOM 694 CZ PHE A 48 13.063 -76.273 -11.361 1.00 52.33 C ATOM 0 HA PHE A 48 10.420 -72.842 -13.596 1.00 43.23 H new ATOM 0 HB2 PHE A 48 9.248 -75.143 -13.946 1.00 61.12 H new ATOM 0 HB3 PHE A 48 10.426 -75.391 -15.219 1.00 61.12 H new ATOM 0 HD1 PHE A 48 10.252 -74.436 -11.602 1.00 42.11 H new ATOM 0 HD2 PHE A 48 12.473 -76.382 -14.676 1.00 54.45 H new ATOM 0 HE1 PHE A 48 11.858 -75.244 -9.929 1.00 23.41 H new ATOM 0 HE2 PHE A 48 14.069 -77.200 -13.001 1.00 23.53 H new ATOM 0 HZ PHE A 48 13.768 -76.632 -10.625 1.00 52.33 H new ATOM 704 N PHE A 49 12.461 -72.350 -14.897 1.00 15.34 N ATOM 705 CA PHE A 49 13.592 -71.828 -15.666 1.00 4.40 C ATOM 706 C PHE A 49 14.401 -72.944 -16.341 1.00 62.32 C ATOM 707 O PHE A 49 15.436 -73.380 -15.828 1.00 1.00 O ATOM 708 CB PHE A 49 14.495 -70.954 -14.772 1.00 33.40 C ATOM 709 CG PHE A 49 14.603 -71.416 -13.331 1.00 61.25 C ATOM 710 CD1 PHE A 49 14.927 -72.730 -13.019 1.00 61.52 C ATOM 711 CD2 PHE A 49 14.371 -70.529 -12.286 1.00 2.54 C ATOM 712 CE1 PHE A 49 15.020 -73.145 -11.704 1.00 52.45 C ATOM 713 CE2 PHE A 49 14.464 -70.943 -10.969 1.00 70.11 C ATOM 714 CZ PHE A 49 14.789 -72.251 -10.680 1.00 63.23 C ATOM 0 H PHE A 49 12.536 -72.196 -13.892 1.00 15.34 H new ATOM 0 HA PHE A 49 13.184 -71.208 -16.464 1.00 4.40 H new ATOM 0 HB2 PHE A 49 15.495 -70.927 -15.206 1.00 33.40 H new ATOM 0 HB3 PHE A 49 14.114 -69.933 -14.784 1.00 33.40 H new ATOM 0 HD1 PHE A 49 15.109 -73.437 -13.815 1.00 61.52 H new ATOM 0 HD2 PHE A 49 14.115 -69.503 -12.505 1.00 2.54 H new ATOM 0 HE1 PHE A 49 15.274 -74.170 -11.478 1.00 52.45 H new ATOM 0 HE2 PHE A 49 14.282 -70.242 -10.168 1.00 70.11 H new ATOM 0 HZ PHE A 49 14.863 -72.575 -9.652 1.00 63.23 H new ATOM 724 N ARG A 50 13.920 -73.391 -17.505 1.00 20.24 N ATOM 725 CA ARG A 50 14.582 -74.446 -18.277 1.00 11.11 C ATOM 726 C ARG A 50 16.052 -74.107 -18.507 1.00 62.02 C ATOM 727 O ARG A 50 16.928 -74.951 -18.333 1.00 13.04 O ATOM 728 CB ARG A 50 13.891 -74.639 -19.640 1.00 4.24 C ATOM 729 CG ARG A 50 14.537 -75.719 -20.509 1.00 63.42 C ATOM 730 CD ARG A 50 14.072 -75.655 -21.962 1.00 31.41 C ATOM 731 NE ARG A 50 12.635 -75.912 -22.113 1.00 52.04 N ATOM 732 CZ ARG A 50 12.072 -76.348 -23.247 1.00 22.45 C ATOM 733 NH1 ARG A 50 12.820 -76.578 -24.320 1.00 12.14 N ATOM 734 NH2 ARG A 50 10.763 -76.557 -23.312 1.00 70.43 N ATOM 0 H ARG A 50 13.067 -73.035 -17.936 1.00 20.24 H new ATOM 0 HA ARG A 50 14.511 -75.369 -17.702 1.00 11.11 H new ATOM 0 HB2 ARG A 50 12.845 -74.896 -19.474 1.00 4.24 H new ATOM 0 HB3 ARG A 50 13.905 -73.693 -20.181 1.00 4.24 H new ATOM 0 HG2 ARG A 50 15.621 -75.610 -20.473 1.00 63.42 H new ATOM 0 HG3 ARG A 50 14.301 -76.701 -20.098 1.00 63.42 H new ATOM 0 HD2 ARG A 50 14.305 -74.671 -22.370 1.00 31.41 H new ATOM 0 HD3 ARG A 50 14.630 -76.384 -22.549 1.00 31.41 H new ATOM 0 HE ARG A 50 12.030 -75.749 -21.308 1.00 52.04 H new ATOM 0 HH11 ARG A 50 13.827 -76.423 -24.282 1.00 12.14 H new ATOM 0 HH12 ARG A 50 12.387 -76.910 -25.182 1.00 12.14 H new ATOM 0 HH21 ARG A 50 10.178 -76.385 -22.494 1.00 70.43 H new ATOM 0 HH22 ARG A 50 10.342 -76.889 -24.180 1.00 70.43 H new ATOM 748 N LYS A 51 16.299 -72.857 -18.891 1.00 31.42 N ATOM 749 CA LYS A 51 17.640 -72.390 -19.239 1.00 51.24 C ATOM 750 C LYS A 51 18.615 -72.600 -18.077 1.00 43.40 C ATOM 751 O LYS A 51 19.727 -73.111 -18.264 1.00 4.25 O ATOM 752 CB LYS A 51 17.586 -70.902 -19.627 1.00 42.54 C ATOM 753 CG LYS A 51 18.848 -70.386 -20.314 1.00 63.21 C ATOM 754 CD LYS A 51 19.085 -71.081 -21.656 1.00 2.41 C ATOM 755 CE LYS A 51 20.278 -70.491 -22.400 1.00 61.10 C ATOM 756 NZ LYS A 51 21.531 -70.580 -21.607 1.00 63.52 N ATOM 0 H LYS A 51 15.578 -72.140 -18.970 1.00 31.42 H new ATOM 0 HA LYS A 51 18.000 -72.972 -20.088 1.00 51.24 H new ATOM 0 HB2 LYS A 51 16.735 -70.742 -20.289 1.00 42.54 H new ATOM 0 HB3 LYS A 51 17.408 -70.311 -18.729 1.00 42.54 H new ATOM 0 HG2 LYS A 51 18.763 -69.311 -20.471 1.00 63.21 H new ATOM 0 HG3 LYS A 51 19.708 -70.547 -19.664 1.00 63.21 H new ATOM 0 HD2 LYS A 51 19.252 -72.145 -21.489 1.00 2.41 H new ATOM 0 HD3 LYS A 51 18.192 -70.991 -22.274 1.00 2.41 H new ATOM 0 HE2 LYS A 51 20.410 -71.016 -23.346 1.00 61.10 H new ATOM 0 HE3 LYS A 51 20.075 -69.447 -22.640 1.00 61.10 H new ATOM 0 HZ1 LYS A 51 22.337 -70.294 -22.198 1.00 63.52 H new ATOM 0 HZ2 LYS A 51 21.465 -69.950 -20.782 1.00 63.52 H new ATOM 0 HZ3 LYS A 51 21.669 -71.559 -21.284 1.00 63.52 H new ATOM 770 N TYR A 52 18.182 -72.219 -16.878 1.00 33.33 N ATOM 771 CA TYR A 52 19.031 -72.306 -15.695 1.00 52.21 C ATOM 772 C TYR A 52 19.222 -73.761 -15.279 1.00 31.13 C ATOM 773 O TYR A 52 20.332 -74.180 -14.962 1.00 33.12 O ATOM 774 CB TYR A 52 18.438 -71.498 -14.531 1.00 51.11 C ATOM 775 CG TYR A 52 18.285 -70.010 -14.807 1.00 65.03 C ATOM 776 CD1 TYR A 52 18.904 -69.409 -15.902 1.00 73.20 C ATOM 777 CD2 TYR A 52 17.517 -69.208 -13.968 1.00 31.11 C ATOM 778 CE1 TYR A 52 18.762 -68.059 -16.148 1.00 34.30 C ATOM 779 CE2 TYR A 52 17.373 -67.857 -14.211 1.00 52.05 C ATOM 780 CZ TYR A 52 17.996 -67.289 -15.301 1.00 23.30 C ATOM 781 OH TYR A 52 17.854 -65.942 -15.547 1.00 53.21 O ATOM 0 H TYR A 52 17.249 -71.847 -16.701 1.00 33.33 H new ATOM 0 HA TYR A 52 20.003 -71.882 -15.948 1.00 52.21 H new ATOM 0 HB2 TYR A 52 17.461 -71.910 -14.281 1.00 51.11 H new ATOM 0 HB3 TYR A 52 19.073 -71.628 -13.655 1.00 51.11 H new ATOM 0 HD1 TYR A 52 19.505 -70.010 -16.569 1.00 73.20 H new ATOM 0 HD2 TYR A 52 17.026 -69.650 -13.113 1.00 31.11 H new ATOM 0 HE1 TYR A 52 19.249 -67.608 -17.000 1.00 34.30 H new ATOM 0 HE2 TYR A 52 16.775 -67.248 -13.550 1.00 52.05 H new ATOM 0 HH TYR A 52 17.283 -65.542 -14.859 1.00 53.21 H new ATOM 791 N THR A 53 18.132 -74.525 -15.286 1.00 44.10 N ATOM 792 CA THR A 53 18.187 -75.939 -14.941 1.00 3.41 C ATOM 793 C THR A 53 19.087 -76.690 -15.925 1.00 73.23 C ATOM 794 O THR A 53 19.840 -77.587 -15.543 1.00 72.33 O ATOM 795 CB THR A 53 16.770 -76.557 -14.940 1.00 45.12 C ATOM 796 OG1 THR A 53 15.910 -75.778 -14.098 1.00 53.20 O ATOM 797 CG2 THR A 53 16.790 -78.005 -14.454 1.00 71.23 C ATOM 0 H THR A 53 17.201 -74.186 -15.527 1.00 44.10 H new ATOM 0 HA THR A 53 18.605 -76.031 -13.938 1.00 3.41 H new ATOM 0 HB THR A 53 16.397 -76.552 -15.964 1.00 45.12 H new ATOM 0 HG1 THR A 53 15.009 -76.163 -14.105 1.00 53.20 H new ATOM 0 HG21 THR A 53 15.777 -78.407 -14.467 1.00 71.23 H new ATOM 0 HG22 THR A 53 17.425 -78.600 -15.110 1.00 71.23 H new ATOM 0 HG23 THR A 53 17.183 -78.042 -13.438 1.00 71.23 H new ATOM 805 N LYS A 54 19.018 -76.286 -17.190 1.00 52.34 N ATOM 806 CA LYS A 54 19.835 -76.874 -18.240 1.00 30.44 C ATOM 807 C LYS A 54 21.306 -76.568 -17.984 1.00 3.54 C ATOM 808 O LYS A 54 22.153 -77.457 -18.053 1.00 44.10 O ATOM 809 CB LYS A 54 19.408 -76.336 -19.615 1.00 40.44 C ATOM 810 CG LYS A 54 20.171 -76.941 -20.795 1.00 35.45 C ATOM 811 CD LYS A 54 19.937 -78.451 -20.935 1.00 30.33 C ATOM 812 CE LYS A 54 21.234 -79.245 -20.791 1.00 3.15 C ATOM 813 NZ LYS A 54 22.254 -78.854 -21.804 1.00 23.31 N ATOM 0 H LYS A 54 18.396 -75.545 -17.513 1.00 52.34 H new ATOM 0 HA LYS A 54 19.693 -77.955 -18.235 1.00 30.44 H new ATOM 0 HB2 LYS A 54 18.343 -76.525 -19.751 1.00 40.44 H new ATOM 0 HB3 LYS A 54 19.543 -75.255 -19.627 1.00 40.44 H new ATOM 0 HG2 LYS A 54 19.865 -76.443 -21.715 1.00 35.45 H new ATOM 0 HG3 LYS A 54 21.237 -76.752 -20.669 1.00 35.45 H new ATOM 0 HD2 LYS A 54 19.225 -78.779 -20.178 1.00 30.33 H new ATOM 0 HD3 LYS A 54 19.489 -78.660 -21.907 1.00 30.33 H new ATOM 0 HE2 LYS A 54 21.641 -79.092 -19.792 1.00 3.15 H new ATOM 0 HE3 LYS A 54 21.018 -80.309 -20.888 1.00 3.15 H new ATOM 0 HZ1 LYS A 54 23.068 -79.498 -21.743 1.00 23.31 H new ATOM 0 HZ2 LYS A 54 21.838 -78.911 -22.755 1.00 23.31 H new ATOM 0 HZ3 LYS A 54 22.569 -77.880 -21.621 1.00 23.31 H new ATOM 827 N LYS A 55 21.598 -75.307 -17.676 1.00 61.15 N ATOM 828 CA LYS A 55 22.969 -74.888 -17.383 1.00 23.30 C ATOM 829 C LYS A 55 23.523 -75.646 -16.176 1.00 15.04 C ATOM 830 O LYS A 55 24.603 -76.241 -16.243 1.00 2.24 O ATOM 831 CB LYS A 55 23.028 -73.379 -17.113 1.00 11.43 C ATOM 832 CG LYS A 55 24.421 -72.889 -16.721 1.00 64.44 C ATOM 833 CD LYS A 55 24.428 -71.418 -16.317 1.00 65.33 C ATOM 834 CE LYS A 55 25.815 -70.977 -15.863 1.00 14.41 C ATOM 835 NZ LYS A 55 25.848 -69.560 -15.420 1.00 63.50 N ATOM 0 H LYS A 55 20.907 -74.558 -17.622 1.00 61.15 H new ATOM 0 HA LYS A 55 23.581 -75.118 -18.256 1.00 23.30 H new ATOM 0 HB2 LYS A 55 22.700 -72.844 -18.004 1.00 11.43 H new ATOM 0 HB3 LYS A 55 22.326 -73.132 -16.317 1.00 11.43 H new ATOM 0 HG2 LYS A 55 24.796 -73.492 -15.894 1.00 64.44 H new ATOM 0 HG3 LYS A 55 25.104 -73.036 -17.558 1.00 64.44 H new ATOM 0 HD2 LYS A 55 24.106 -70.805 -17.159 1.00 65.33 H new ATOM 0 HD3 LYS A 55 23.711 -71.256 -15.513 1.00 65.33 H new ATOM 0 HE2 LYS A 55 26.146 -71.617 -15.045 1.00 14.41 H new ATOM 0 HE3 LYS A 55 26.522 -71.114 -16.681 1.00 14.41 H new ATOM 0 HZ1 LYS A 55 26.813 -69.312 -15.122 1.00 63.50 H new ATOM 0 HZ2 LYS A 55 25.559 -68.944 -16.206 1.00 63.50 H new ATOM 0 HZ3 LYS A 55 25.195 -69.431 -14.621 1.00 63.50 H new ATOM 849 N GLU A 56 22.766 -75.617 -15.084 1.00 61.35 N ATOM 850 CA GLU A 56 23.165 -76.249 -13.831 1.00 4.44 C ATOM 851 C GLU A 56 23.481 -77.725 -14.060 1.00 34.44 C ATOM 852 O GLU A 56 24.598 -78.186 -13.800 1.00 61.15 O ATOM 853 CB GLU A 56 22.036 -76.111 -12.798 1.00 12.34 C ATOM 854 CG GLU A 56 22.409 -76.578 -11.395 1.00 53.51 C ATOM 855 CD GLU A 56 23.398 -75.646 -10.709 1.00 25.14 C ATOM 856 OE1 GLU A 56 24.619 -75.838 -10.869 1.00 63.10 O ATOM 857 OE2 GLU A 56 22.954 -74.712 -10.007 1.00 24.04 O ATOM 0 H GLU A 56 21.858 -75.154 -15.043 1.00 61.35 H new ATOM 0 HA GLU A 56 24.060 -75.753 -13.455 1.00 4.44 H new ATOM 0 HB2 GLU A 56 21.728 -75.066 -12.751 1.00 12.34 H new ATOM 0 HB3 GLU A 56 21.173 -76.682 -13.141 1.00 12.34 H new ATOM 0 HG2 GLU A 56 21.506 -76.652 -10.789 1.00 53.51 H new ATOM 0 HG3 GLU A 56 22.838 -77.578 -11.452 1.00 53.51 H new ATOM 864 N ALA A 57 22.494 -78.444 -14.585 1.00 2.01 N ATOM 865 CA ALA A 57 22.608 -79.879 -14.800 1.00 74.43 C ATOM 866 C ALA A 57 23.756 -80.206 -15.749 1.00 71.13 C ATOM 867 O ALA A 57 24.574 -81.068 -15.458 1.00 12.10 O ATOM 868 CB ALA A 57 21.294 -80.436 -15.336 1.00 4.12 C ATOM 0 H ALA A 57 21.598 -78.049 -14.871 1.00 2.01 H new ATOM 0 HA ALA A 57 22.825 -80.350 -13.841 1.00 74.43 H new ATOM 0 HB1 ALA A 57 21.391 -81.510 -15.493 1.00 4.12 H new ATOM 0 HB2 ALA A 57 20.498 -80.245 -14.617 1.00 4.12 H new ATOM 0 HB3 ALA A 57 21.052 -79.951 -16.282 1.00 4.12 H new ATOM 874 N ASP A 58 23.827 -79.492 -16.868 1.00 44.45 N ATOM 875 CA ASP A 58 24.830 -79.773 -17.901 1.00 61.14 C ATOM 876 C ASP A 58 26.246 -79.587 -17.349 1.00 50.21 C ATOM 877 O ASP A 58 27.119 -80.439 -17.545 1.00 33.21 O ATOM 878 CB ASP A 58 24.611 -78.858 -19.113 1.00 0.41 C ATOM 879 CG ASP A 58 25.372 -79.312 -20.351 1.00 35.12 C ATOM 880 OD1 ASP A 58 26.588 -79.049 -20.445 1.00 22.10 O ATOM 881 OD2 ASP A 58 24.750 -79.926 -21.246 1.00 32.14 O ATOM 0 H ASP A 58 23.204 -78.714 -17.087 1.00 44.45 H new ATOM 0 HA ASP A 58 24.718 -80.811 -18.215 1.00 61.14 H new ATOM 0 HB2 ASP A 58 23.546 -78.818 -19.343 1.00 0.41 H new ATOM 0 HB3 ASP A 58 24.919 -77.845 -18.856 1.00 0.41 H new ATOM 886 N ALA A 59 26.454 -78.481 -16.633 1.00 41.11 N ATOM 887 CA ALA A 59 27.776 -78.138 -16.101 1.00 31.13 C ATOM 888 C ALA A 59 28.205 -79.107 -14.996 1.00 41.12 C ATOM 889 O ALA A 59 29.338 -79.599 -14.989 1.00 73.43 O ATOM 890 CB ALA A 59 27.782 -76.703 -15.588 1.00 33.22 C ATOM 0 H ALA A 59 25.723 -77.806 -16.407 1.00 41.11 H new ATOM 0 HA ALA A 59 28.498 -78.225 -16.913 1.00 31.13 H new ATOM 0 HB1 ALA A 59 28.770 -76.461 -15.196 1.00 33.22 H new ATOM 0 HB2 ALA A 59 27.540 -76.023 -16.405 1.00 33.22 H new ATOM 0 HB3 ALA A 59 27.041 -76.597 -14.796 1.00 33.22 H new ATOM 896 N LEU A 60 27.295 -79.396 -14.068 1.00 54.24 N ATOM 897 CA LEU A 60 27.589 -80.322 -12.969 1.00 74.52 C ATOM 898 C LEU A 60 27.483 -81.770 -13.441 1.00 2.20 C ATOM 899 O LEU A 60 27.882 -82.697 -12.738 1.00 5.04 O ATOM 900 CB LEU A 60 26.654 -80.074 -11.780 1.00 10.34 C ATOM 901 CG LEU A 60 26.853 -78.743 -11.043 1.00 60.33 C ATOM 902 CD1 LEU A 60 25.868 -78.624 -9.884 1.00 41.11 C ATOM 903 CD2 LEU A 60 28.291 -78.607 -10.545 1.00 51.52 C ATOM 0 H LEU A 60 26.352 -79.007 -14.052 1.00 54.24 H new ATOM 0 HA LEU A 60 28.612 -80.141 -12.640 1.00 74.52 H new ATOM 0 HB2 LEU A 60 25.625 -80.121 -12.135 1.00 10.34 H new ATOM 0 HB3 LEU A 60 26.782 -80.887 -11.065 1.00 10.34 H new ATOM 0 HG LEU A 60 26.661 -77.931 -11.745 1.00 60.33 H new ATOM 0 HD11 LEU A 60 26.022 -77.674 -9.371 1.00 41.11 H new ATOM 0 HD12 LEU A 60 24.848 -78.668 -10.267 1.00 41.11 H new ATOM 0 HD13 LEU A 60 26.029 -79.444 -9.184 1.00 41.11 H new ATOM 0 HD21 LEU A 60 28.408 -77.656 -10.026 1.00 51.52 H new ATOM 0 HD22 LEU A 60 28.518 -79.424 -9.860 1.00 51.52 H new ATOM 0 HD23 LEU A 60 28.975 -78.644 -11.393 1.00 51.52 H new ATOM 915 N SER A 61 26.962 -81.936 -14.652 1.00 74.52 N ATOM 916 CA SER A 61 26.863 -83.230 -15.312 1.00 3.53 C ATOM 917 C SER A 61 25.860 -84.150 -14.617 1.00 64.03 C ATOM 918 O SER A 61 26.102 -85.349 -14.457 1.00 34.12 O ATOM 919 CB SER A 61 28.247 -83.888 -15.396 1.00 74.53 C ATOM 920 OG SER A 61 29.158 -83.061 -16.109 1.00 63.03 O ATOM 0 H SER A 61 26.592 -81.165 -15.209 1.00 74.52 H new ATOM 0 HA SER A 61 26.492 -83.062 -16.323 1.00 3.53 H new ATOM 0 HB2 SER A 61 28.628 -84.074 -14.392 1.00 74.53 H new ATOM 0 HB3 SER A 61 28.165 -84.856 -15.890 1.00 74.53 H new ATOM 0 HG SER A 61 30.034 -83.498 -16.149 1.00 63.03 H new ATOM 926 N LEU A 62 24.719 -83.579 -14.222 1.00 73.12 N ATOM 927 CA LEU A 62 23.571 -84.390 -13.834 1.00 32.44 C ATOM 928 C LEU A 62 22.863 -84.832 -15.111 1.00 13.42 C ATOM 929 O LEU A 62 22.633 -84.020 -16.009 1.00 54.02 O ATOM 930 CB LEU A 62 22.579 -83.615 -12.929 1.00 62.02 C ATOM 931 CG LEU A 62 23.075 -83.254 -11.511 1.00 31.13 C ATOM 932 CD1 LEU A 62 23.750 -84.455 -10.853 1.00 22.14 C ATOM 933 CD2 LEU A 62 23.998 -82.045 -11.556 1.00 20.31 C ATOM 0 H LEU A 62 24.570 -82.572 -14.164 1.00 73.12 H new ATOM 0 HA LEU A 62 23.924 -85.244 -13.255 1.00 32.44 H new ATOM 0 HB2 LEU A 62 22.302 -82.692 -13.439 1.00 62.02 H new ATOM 0 HB3 LEU A 62 21.671 -84.210 -12.831 1.00 62.02 H new ATOM 0 HG LEU A 62 22.213 -82.987 -10.899 1.00 31.13 H new ATOM 0 HD11 LEU A 62 24.092 -84.179 -9.855 1.00 22.14 H new ATOM 0 HD12 LEU A 62 23.038 -85.277 -10.778 1.00 22.14 H new ATOM 0 HD13 LEU A 62 24.603 -84.768 -11.455 1.00 22.14 H new ATOM 0 HD21 LEU A 62 24.336 -81.808 -10.547 1.00 20.31 H new ATOM 0 HD22 LEU A 62 24.860 -82.269 -12.184 1.00 20.31 H new ATOM 0 HD23 LEU A 62 23.460 -81.192 -11.969 1.00 20.31 H new ATOM 945 N VAL A 63 22.522 -86.107 -15.197 1.00 63.31 N ATOM 946 CA VAL A 63 21.831 -86.638 -16.363 1.00 53.30 C ATOM 947 C VAL A 63 20.438 -87.109 -15.976 1.00 24.01 C ATOM 948 O VAL A 63 20.086 -87.126 -14.800 1.00 52.40 O ATOM 949 CB VAL A 63 22.620 -87.793 -17.037 1.00 11.42 C ATOM 950 CG1 VAL A 63 23.969 -87.297 -17.560 1.00 23.31 C ATOM 951 CG2 VAL A 63 22.813 -88.965 -16.077 1.00 10.23 C ATOM 0 H VAL A 63 22.713 -86.797 -14.471 1.00 63.31 H new ATOM 0 HA VAL A 63 21.753 -85.831 -17.091 1.00 53.30 H new ATOM 0 HB VAL A 63 22.032 -88.146 -17.884 1.00 11.42 H new ATOM 0 HG11 VAL A 63 24.504 -88.123 -18.028 1.00 23.31 H new ATOM 0 HG12 VAL A 63 23.807 -86.508 -18.294 1.00 23.31 H new ATOM 0 HG13 VAL A 63 24.559 -86.906 -16.731 1.00 23.31 H new ATOM 0 HG21 VAL A 63 23.369 -89.758 -16.578 1.00 10.23 H new ATOM 0 HG22 VAL A 63 23.368 -88.630 -15.201 1.00 10.23 H new ATOM 0 HG23 VAL A 63 21.840 -89.345 -15.766 1.00 10.23 H new ATOM 961 N GLY A 64 19.649 -87.473 -16.973 1.00 15.23 N ATOM 962 CA GLY A 64 18.270 -87.859 -16.743 1.00 55.25 C ATOM 963 C GLY A 64 17.351 -87.127 -17.693 1.00 30.41 C ATOM 964 O GLY A 64 17.651 -87.029 -18.888 1.00 63.55 O ATOM 0 H GLY A 64 19.942 -87.509 -17.950 1.00 15.23 H new ATOM 0 HA2 GLY A 64 18.160 -88.935 -16.878 1.00 55.25 H new ATOM 0 HA3 GLY A 64 17.991 -87.636 -15.713 1.00 55.25 H new ATOM 968 N TYR A 65 16.241 -86.603 -17.185 1.00 73.32 N ATOM 969 CA TYR A 65 15.314 -85.847 -18.027 1.00 13.32 C ATOM 970 C TYR A 65 14.295 -85.088 -17.182 1.00 31.43 C ATOM 971 O TYR A 65 13.985 -85.497 -16.066 1.00 30.44 O ATOM 972 CB TYR A 65 14.633 -86.784 -19.053 1.00 12.34 C ATOM 973 CG TYR A 65 13.130 -86.949 -18.916 1.00 12.32 C ATOM 974 CD1 TYR A 65 12.590 -87.880 -18.034 1.00 2.54 C ATOM 975 CD2 TYR A 65 12.254 -86.188 -19.684 1.00 43.24 C ATOM 976 CE1 TYR A 65 11.224 -88.048 -17.924 1.00 14.21 C ATOM 977 CE2 TYR A 65 10.888 -86.346 -19.576 1.00 74.34 C ATOM 978 CZ TYR A 65 10.377 -87.279 -18.696 1.00 4.14 C ATOM 979 OH TYR A 65 9.015 -87.448 -18.591 1.00 22.34 O ATOM 0 H TYR A 65 15.961 -86.684 -16.208 1.00 73.32 H new ATOM 0 HA TYR A 65 15.880 -85.101 -18.584 1.00 13.32 H new ATOM 0 HB2 TYR A 65 14.847 -86.409 -20.054 1.00 12.34 H new ATOM 0 HB3 TYR A 65 15.094 -87.769 -18.976 1.00 12.34 H new ATOM 0 HD1 TYR A 65 13.250 -88.481 -17.426 1.00 2.54 H new ATOM 0 HD2 TYR A 65 12.651 -85.461 -20.377 1.00 43.24 H new ATOM 0 HE1 TYR A 65 10.820 -88.777 -17.237 1.00 14.21 H new ATOM 0 HE2 TYR A 65 10.222 -85.744 -20.176 1.00 74.34 H new ATOM 0 HH TYR A 65 8.791 -87.739 -17.683 1.00 22.34 H new ATOM 989 N VAL A 66 13.798 -83.972 -17.717 1.00 23.54 N ATOM 990 CA VAL A 66 12.776 -83.162 -17.041 1.00 72.34 C ATOM 991 C VAL A 66 11.732 -82.682 -18.047 1.00 10.41 C ATOM 992 O VAL A 66 12.083 -82.357 -19.183 1.00 63.31 O ATOM 993 CB VAL A 66 13.400 -81.943 -16.301 1.00 1.11 C ATOM 994 CG1 VAL A 66 12.328 -80.945 -15.859 1.00 51.44 C ATOM 995 CG2 VAL A 66 14.218 -82.408 -15.095 1.00 12.42 C ATOM 0 H VAL A 66 14.087 -83.604 -18.623 1.00 23.54 H new ATOM 0 HA VAL A 66 12.297 -83.795 -16.294 1.00 72.34 H new ATOM 0 HB VAL A 66 14.061 -81.436 -17.003 1.00 1.11 H new ATOM 0 HG11 VAL A 66 12.800 -80.107 -15.346 1.00 51.44 H new ATOM 0 HG12 VAL A 66 11.790 -80.578 -16.733 1.00 51.44 H new ATOM 0 HG13 VAL A 66 11.629 -81.437 -15.183 1.00 51.44 H new ATOM 0 HG21 VAL A 66 14.646 -81.542 -14.590 1.00 12.42 H new ATOM 0 HG22 VAL A 66 13.572 -82.948 -14.403 1.00 12.42 H new ATOM 0 HG23 VAL A 66 15.020 -83.066 -15.431 1.00 12.42 H new ATOM 1005 N THR A 67 10.468 -82.637 -17.609 1.00 33.35 N ATOM 1006 CA THR A 67 9.337 -82.230 -18.443 1.00 62.00 C ATOM 1007 C THR A 67 8.234 -81.608 -17.577 1.00 43.22 C ATOM 1008 O THR A 67 8.217 -81.790 -16.356 1.00 43.20 O ATOM 1009 CB THR A 67 8.743 -83.422 -19.229 1.00 20.20 C ATOM 1010 OG1 THR A 67 7.710 -82.963 -20.111 1.00 12.03 O ATOM 1011 CG2 THR A 67 8.174 -84.473 -18.284 1.00 52.41 C ATOM 0 H THR A 67 10.202 -82.885 -16.656 1.00 33.35 H new ATOM 0 HA THR A 67 9.713 -81.497 -19.157 1.00 62.00 H new ATOM 0 HB THR A 67 9.546 -83.876 -19.810 1.00 20.20 H new ATOM 0 HG1 THR A 67 7.340 -83.724 -20.606 1.00 12.03 H new ATOM 0 HG21 THR A 67 7.763 -85.299 -18.864 1.00 52.41 H new ATOM 0 HG22 THR A 67 8.966 -84.844 -17.634 1.00 52.41 H new ATOM 0 HG23 THR A 67 7.385 -84.028 -17.677 1.00 52.41 H new ATOM 1019 N ASN A 68 7.322 -80.871 -18.211 1.00 24.14 N ATOM 1020 CA ASN A 68 6.221 -80.204 -17.508 1.00 73.40 C ATOM 1021 C ASN A 68 4.915 -80.958 -17.767 1.00 73.12 C ATOM 1022 O ASN A 68 4.525 -81.161 -18.916 1.00 10.52 O ATOM 1023 CB ASN A 68 6.101 -78.745 -17.993 1.00 71.15 C ATOM 1024 CG ASN A 68 5.259 -77.829 -17.096 1.00 11.14 C ATOM 1025 OD1 ASN A 68 5.536 -76.631 -17.004 1.00 14.14 O ATOM 1026 ND2 ASN A 68 4.218 -78.349 -16.460 1.00 71.23 N ATOM 0 H ASN A 68 7.323 -80.719 -19.220 1.00 24.14 H new ATOM 0 HA ASN A 68 6.422 -80.202 -16.437 1.00 73.40 H new ATOM 0 HB2 ASN A 68 7.102 -78.323 -18.079 1.00 71.15 H new ATOM 0 HB3 ASN A 68 5.669 -78.745 -18.994 1.00 71.15 H new ATOM 0 HD21 ASN A 68 3.626 -77.755 -15.879 1.00 71.23 H new ATOM 0 HD22 ASN A 68 4.009 -79.343 -16.552 1.00 71.23 H new ATOM 1033 N ASN A 69 4.248 -81.379 -16.695 1.00 74.00 N ATOM 1034 CA ASN A 69 2.962 -82.067 -16.809 1.00 52.24 C ATOM 1035 C ASN A 69 1.856 -81.059 -17.108 1.00 5.25 C ATOM 1036 O ASN A 69 1.936 -79.904 -16.686 1.00 52.52 O ATOM 1037 CB ASN A 69 2.626 -82.831 -15.520 1.00 72.13 C ATOM 1038 CG ASN A 69 3.622 -83.930 -15.191 1.00 72.22 C ATOM 1039 OD1 ASN A 69 4.625 -83.603 -14.390 1.00 2.34 O flip ATOM 1040 ND2 ASN A 69 3.478 -85.067 -15.637 1.00 31.15 N flip ATOM 0 H ASN A 69 4.576 -81.256 -15.737 1.00 74.00 H new ATOM 0 HA ASN A 69 3.035 -82.785 -17.626 1.00 52.24 H new ATOM 0 HB2 ASN A 69 2.586 -82.127 -14.689 1.00 72.13 H new ATOM 0 HB3 ASN A 69 1.632 -83.268 -15.615 1.00 72.13 H new ATOM 0 HD21 ASN A 69 2.692 -85.278 -16.251 1.00 31.15 H new ATOM 0 HD22 ASN A 69 4.145 -85.799 -15.393 1.00 31.15 H new ATOM 1047 N GLU A 70 0.829 -81.509 -17.818 1.00 63.52 N ATOM 1048 CA GLU A 70 -0.282 -80.650 -18.233 1.00 54.22 C ATOM 1049 C GLU A 70 -0.981 -79.997 -17.038 1.00 23.41 C ATOM 1050 O GLU A 70 -1.547 -78.910 -17.157 1.00 22.31 O ATOM 1051 CB GLU A 70 -1.292 -81.467 -19.050 1.00 35.24 C ATOM 1052 CG GLU A 70 -1.879 -82.649 -18.287 1.00 73.50 C ATOM 1053 CD GLU A 70 -2.759 -83.531 -19.154 1.00 44.50 C ATOM 1054 OE1 GLU A 70 -3.937 -83.181 -19.361 1.00 32.11 O ATOM 1055 OE2 GLU A 70 -2.276 -84.576 -19.640 1.00 22.30 O ATOM 0 H GLU A 70 0.739 -82.478 -18.124 1.00 63.52 H new ATOM 0 HA GLU A 70 0.130 -79.850 -18.848 1.00 54.22 H new ATOM 0 HB2 GLU A 70 -2.103 -80.812 -19.369 1.00 35.24 H new ATOM 0 HB3 GLU A 70 -0.804 -81.834 -19.953 1.00 35.24 H new ATOM 0 HG2 GLU A 70 -1.067 -83.248 -17.874 1.00 73.50 H new ATOM 0 HG3 GLU A 70 -2.462 -82.278 -17.444 1.00 73.50 H new ATOM 1062 N ASP A 71 -0.944 -80.664 -15.885 1.00 53.44 N ATOM 1063 CA ASP A 71 -1.600 -80.144 -14.682 1.00 52.32 C ATOM 1064 C ASP A 71 -0.831 -78.946 -14.123 1.00 60.33 C ATOM 1065 O ASP A 71 -1.375 -78.155 -13.351 1.00 61.33 O ATOM 1066 CB ASP A 71 -1.721 -81.228 -13.602 1.00 72.43 C ATOM 1067 CG ASP A 71 -0.384 -81.580 -12.968 1.00 73.01 C ATOM 1068 OD1 ASP A 71 0.302 -82.484 -13.484 1.00 23.34 O ATOM 1069 OD2 ASP A 71 -0.017 -80.954 -11.951 1.00 44.11 O ATOM 0 H ASP A 71 -0.471 -81.559 -15.757 1.00 53.44 H new ATOM 0 HA ASP A 71 -2.602 -79.825 -14.968 1.00 52.32 H new ATOM 0 HB2 ASP A 71 -2.407 -80.887 -12.827 1.00 72.43 H new ATOM 0 HB3 ASP A 71 -2.157 -82.125 -14.041 1.00 72.43 H new ATOM 1074 N GLY A 72 0.439 -78.821 -14.509 1.00 2.22 N ATOM 1075 CA GLY A 72 1.254 -77.702 -14.062 1.00 24.21 C ATOM 1076 C GLY A 72 2.544 -78.142 -13.397 1.00 64.40 C ATOM 1077 O GLY A 72 3.569 -77.465 -13.514 1.00 24.14 O ATOM 0 H GLY A 72 0.918 -79.477 -15.125 1.00 2.22 H new ATOM 0 HA2 GLY A 72 1.489 -77.066 -14.916 1.00 24.21 H new ATOM 0 HA3 GLY A 72 0.678 -77.096 -13.362 1.00 24.21 H new ATOM 1081 N SER A 73 2.496 -79.275 -12.700 1.00 74.30 N ATOM 1082 CA SER A 73 3.657 -79.788 -11.974 1.00 53.52 C ATOM 1083 C SER A 73 4.794 -80.172 -12.924 1.00 5.24 C ATOM 1084 O SER A 73 4.553 -80.661 -14.030 1.00 20.32 O ATOM 1085 CB SER A 73 3.250 -81.001 -11.135 1.00 23.04 C ATOM 1086 OG SER A 73 2.258 -80.653 -10.184 1.00 33.31 O ATOM 0 H SER A 73 1.662 -79.858 -12.622 1.00 74.30 H new ATOM 0 HA SER A 73 4.021 -78.994 -11.322 1.00 53.52 H new ATOM 0 HB2 SER A 73 2.873 -81.788 -11.787 1.00 23.04 H new ATOM 0 HB3 SER A 73 4.124 -81.403 -10.623 1.00 23.04 H new ATOM 0 HG SER A 73 1.375 -80.678 -10.608 1.00 33.31 H new ATOM 1092 N VAL A 74 6.030 -79.964 -12.481 1.00 2.14 N ATOM 1093 CA VAL A 74 7.206 -80.330 -13.270 1.00 23.14 C ATOM 1094 C VAL A 74 7.808 -81.608 -12.697 1.00 45.15 C ATOM 1095 O VAL A 74 7.867 -81.774 -11.478 1.00 50.12 O ATOM 1096 CB VAL A 74 8.270 -79.198 -13.279 1.00 61.55 C ATOM 1097 CG1 VAL A 74 9.457 -79.572 -14.166 1.00 25.24 C ATOM 1098 CG2 VAL A 74 7.646 -77.875 -13.729 1.00 44.21 C ATOM 0 H VAL A 74 6.246 -79.543 -11.577 1.00 2.14 H new ATOM 0 HA VAL A 74 6.893 -80.489 -14.302 1.00 23.14 H new ATOM 0 HB VAL A 74 8.640 -79.070 -12.262 1.00 61.55 H new ATOM 0 HG11 VAL A 74 10.188 -78.763 -14.156 1.00 25.24 H new ATOM 0 HG12 VAL A 74 9.920 -80.484 -13.789 1.00 25.24 H new ATOM 0 HG13 VAL A 74 9.111 -79.735 -15.187 1.00 25.24 H new ATOM 0 HG21 VAL A 74 8.407 -77.095 -13.729 1.00 44.21 H new ATOM 0 HG22 VAL A 74 7.242 -77.987 -14.735 1.00 44.21 H new ATOM 0 HG23 VAL A 74 6.844 -77.600 -13.044 1.00 44.21 H new ATOM 1108 N SER A 75 8.227 -82.523 -13.560 1.00 24.41 N ATOM 1109 CA SER A 75 8.724 -83.818 -13.112 1.00 33.53 C ATOM 1110 C SER A 75 9.884 -84.294 -13.983 1.00 25.55 C ATOM 1111 O SER A 75 10.144 -83.736 -15.049 1.00 44.43 O ATOM 1112 CB SER A 75 7.582 -84.838 -13.142 1.00 45.42 C ATOM 1113 OG SER A 75 6.459 -84.363 -12.414 1.00 50.11 O ATOM 0 H SER A 75 8.233 -82.394 -14.572 1.00 24.41 H new ATOM 0 HA SER A 75 9.095 -83.716 -12.092 1.00 33.53 H new ATOM 0 HB2 SER A 75 7.294 -85.037 -14.174 1.00 45.42 H new ATOM 0 HB3 SER A 75 7.922 -85.783 -12.718 1.00 45.42 H new ATOM 0 HG SER A 75 5.763 -84.072 -13.039 1.00 50.11 H new ATOM 1119 N GLY A 76 10.585 -85.314 -13.506 1.00 32.44 N ATOM 1120 CA GLY A 76 11.693 -85.884 -14.245 1.00 51.54 C ATOM 1121 C GLY A 76 12.551 -86.770 -13.364 1.00 43.42 C ATOM 1122 O GLY A 76 12.139 -87.135 -12.263 1.00 53.55 O ATOM 0 H GLY A 76 10.402 -85.761 -12.608 1.00 32.44 H new ATOM 0 HA2 GLY A 76 11.311 -86.465 -15.085 1.00 51.54 H new ATOM 0 HA3 GLY A 76 12.304 -85.083 -14.662 1.00 51.54 H new ATOM 1126 N VAL A 77 13.741 -87.120 -13.839 1.00 42.05 N ATOM 1127 CA VAL A 77 14.665 -87.961 -13.080 1.00 43.44 C ATOM 1128 C VAL A 77 16.087 -87.412 -13.195 1.00 74.14 C ATOM 1129 O VAL A 77 16.481 -86.933 -14.267 1.00 42.33 O ATOM 1130 CB VAL A 77 14.653 -89.434 -13.573 1.00 53.04 C ATOM 1131 CG1 VAL A 77 15.524 -90.314 -12.675 1.00 73.25 C ATOM 1132 CG2 VAL A 77 13.229 -89.980 -13.641 1.00 44.22 C ATOM 0 H VAL A 77 14.092 -86.833 -14.753 1.00 42.05 H new ATOM 0 HA VAL A 77 14.334 -87.945 -12.042 1.00 43.44 H new ATOM 0 HB VAL A 77 15.069 -89.452 -14.580 1.00 53.04 H new ATOM 0 HG11 VAL A 77 15.501 -91.341 -13.039 1.00 73.25 H new ATOM 0 HG12 VAL A 77 16.550 -89.947 -12.691 1.00 73.25 H new ATOM 0 HG13 VAL A 77 15.143 -90.282 -11.654 1.00 73.25 H new ATOM 0 HG21 VAL A 77 13.252 -91.013 -13.989 1.00 44.22 H new ATOM 0 HG22 VAL A 77 12.777 -89.941 -12.650 1.00 44.22 H new ATOM 0 HG23 VAL A 77 12.641 -89.377 -14.332 1.00 44.22 H new ATOM 1142 N VAL A 78 16.840 -87.476 -12.091 1.00 11.12 N ATOM 1143 CA VAL A 78 18.229 -87.013 -12.058 1.00 13.11 C ATOM 1144 C VAL A 78 19.163 -88.181 -11.724 1.00 3.40 C ATOM 1145 O VAL A 78 18.809 -89.059 -10.930 1.00 63.53 O ATOM 1146 CB VAL A 78 18.426 -85.881 -11.011 1.00 55.53 C ATOM 1147 CG1 VAL A 78 18.464 -86.442 -9.594 1.00 52.34 C ATOM 1148 CG2 VAL A 78 19.688 -85.073 -11.296 1.00 23.42 C ATOM 0 H VAL A 78 16.505 -87.848 -11.202 1.00 11.12 H new ATOM 0 HA VAL A 78 18.470 -86.616 -13.044 1.00 13.11 H new ATOM 0 HB VAL A 78 17.569 -85.212 -11.093 1.00 55.53 H new ATOM 0 HG11 VAL A 78 18.603 -85.627 -8.884 1.00 52.34 H new ATOM 0 HG12 VAL A 78 17.526 -86.954 -9.380 1.00 52.34 H new ATOM 0 HG13 VAL A 78 19.291 -87.147 -9.504 1.00 52.34 H new ATOM 0 HG21 VAL A 78 19.796 -84.290 -10.546 1.00 23.42 H new ATOM 0 HG22 VAL A 78 20.557 -85.731 -11.262 1.00 23.42 H new ATOM 0 HG23 VAL A 78 19.615 -84.620 -12.285 1.00 23.42 H new ATOM 1158 N GLN A 79 20.340 -88.192 -12.340 1.00 61.04 N ATOM 1159 CA GLN A 79 21.328 -89.249 -12.124 1.00 72.34 C ATOM 1160 C GLN A 79 22.729 -88.637 -12.140 1.00 51.25 C ATOM 1161 O GLN A 79 22.997 -87.736 -12.935 1.00 1.41 O ATOM 1162 CB GLN A 79 21.227 -90.320 -13.232 1.00 75.34 C ATOM 1163 CG GLN A 79 19.846 -90.428 -13.876 1.00 65.40 C ATOM 1164 CD GLN A 79 19.818 -91.340 -15.090 1.00 13.34 C ATOM 1165 OE1 GLN A 79 19.085 -91.096 -16.044 1.00 12.03 O ATOM 1166 NE2 GLN A 79 20.587 -92.416 -15.047 1.00 41.24 N ATOM 0 H GLN A 79 20.637 -87.474 -13.000 1.00 61.04 H new ATOM 0 HA GLN A 79 21.135 -89.721 -11.161 1.00 72.34 H new ATOM 0 HB2 GLN A 79 21.960 -90.095 -14.007 1.00 75.34 H new ATOM 0 HB3 GLN A 79 21.496 -91.289 -12.811 1.00 75.34 H new ATOM 0 HG2 GLN A 79 19.136 -90.798 -13.136 1.00 65.40 H new ATOM 0 HG3 GLN A 79 19.511 -89.433 -14.170 1.00 65.40 H new ATOM 0 HE21 GLN A 79 21.183 -92.585 -14.237 1.00 41.24 H new ATOM 0 HE22 GLN A 79 20.584 -93.077 -15.824 1.00 41.24 H new ATOM 1175 N GLY A 80 23.611 -89.107 -11.267 1.00 73.20 N ATOM 1176 CA GLY A 80 24.992 -88.644 -11.284 1.00 70.11 C ATOM 1177 C GLY A 80 25.637 -88.683 -9.913 1.00 45.11 C ATOM 1178 O GLY A 80 25.104 -89.315 -8.999 1.00 30.00 O ATOM 0 H GLY A 80 23.399 -89.799 -10.548 1.00 73.20 H new ATOM 0 HA2 GLY A 80 25.570 -89.262 -11.971 1.00 70.11 H new ATOM 0 HA3 GLY A 80 25.025 -87.624 -11.668 1.00 70.11 H new ATOM 1182 N PRO A 81 26.799 -88.021 -9.744 1.00 21.24 N ATOM 1183 CA PRO A 81 27.501 -87.949 -8.452 1.00 24.25 C ATOM 1184 C PRO A 81 26.602 -87.370 -7.360 1.00 43.11 C ATOM 1185 O PRO A 81 25.889 -86.390 -7.590 1.00 61.12 O ATOM 1186 CB PRO A 81 28.698 -87.022 -8.729 1.00 14.12 C ATOM 1187 CG PRO A 81 28.381 -86.336 -10.019 1.00 1.43 C ATOM 1188 CD PRO A 81 27.518 -87.290 -10.798 1.00 73.32 C ATOM 0 HA PRO A 81 27.804 -88.932 -8.090 1.00 24.25 H new ATOM 0 HB2 PRO A 81 28.830 -86.300 -7.923 1.00 14.12 H new ATOM 0 HB3 PRO A 81 29.625 -87.590 -8.804 1.00 14.12 H new ATOM 0 HG2 PRO A 81 27.860 -85.395 -9.842 1.00 1.43 H new ATOM 0 HG3 PRO A 81 29.292 -86.098 -10.568 1.00 1.43 H new ATOM 0 HD2 PRO A 81 26.833 -86.764 -11.463 1.00 73.32 H new ATOM 0 HD3 PRO A 81 28.114 -87.959 -11.418 1.00 73.32 H new ATOM 1196 N LYS A 82 26.662 -87.953 -6.167 1.00 34.24 N ATOM 1197 CA LYS A 82 25.696 -87.640 -5.112 1.00 65.22 C ATOM 1198 C LYS A 82 25.886 -86.210 -4.611 1.00 10.03 C ATOM 1199 O LYS A 82 24.957 -85.596 -4.088 1.00 13.55 O ATOM 1200 CB LYS A 82 25.770 -88.667 -3.955 1.00 54.13 C ATOM 1201 CG LYS A 82 26.788 -88.371 -2.847 1.00 14.43 C ATOM 1202 CD LYS A 82 28.227 -88.325 -3.350 1.00 71.14 C ATOM 1203 CE LYS A 82 28.663 -89.623 -4.018 1.00 51.01 C ATOM 1204 NZ LYS A 82 30.024 -89.497 -4.600 1.00 4.33 N ATOM 0 H LYS A 82 27.366 -88.643 -5.904 1.00 34.24 H new ATOM 0 HA LYS A 82 24.695 -87.712 -5.538 1.00 65.22 H new ATOM 0 HB2 LYS A 82 24.782 -88.742 -3.501 1.00 54.13 H new ATOM 0 HB3 LYS A 82 26.001 -89.644 -4.379 1.00 54.13 H new ATOM 0 HG2 LYS A 82 26.542 -87.416 -2.382 1.00 14.43 H new ATOM 0 HG3 LYS A 82 26.705 -89.134 -2.073 1.00 14.43 H new ATOM 0 HD2 LYS A 82 28.333 -87.504 -4.059 1.00 71.14 H new ATOM 0 HD3 LYS A 82 28.892 -88.111 -2.514 1.00 71.14 H new ATOM 0 HE2 LYS A 82 28.650 -90.433 -3.288 1.00 51.01 H new ATOM 0 HE3 LYS A 82 27.953 -89.888 -4.801 1.00 51.01 H new ATOM 0 HZ1 LYS A 82 30.202 -90.294 -5.244 1.00 4.33 H new ATOM 0 HZ2 LYS A 82 30.094 -88.604 -5.128 1.00 4.33 H new ATOM 0 HZ3 LYS A 82 30.730 -89.505 -3.836 1.00 4.33 H new ATOM 1218 N GLU A 83 27.093 -85.681 -4.792 1.00 45.34 N ATOM 1219 CA GLU A 83 27.387 -84.303 -4.427 1.00 53.14 C ATOM 1220 C GLU A 83 26.676 -83.339 -5.375 1.00 41.52 C ATOM 1221 O GLU A 83 26.122 -82.318 -4.955 1.00 1.31 O ATOM 1222 CB GLU A 83 28.891 -84.044 -4.399 1.00 53.44 C ATOM 1223 CG GLU A 83 29.646 -84.632 -5.574 1.00 34.25 C ATOM 1224 CD GLU A 83 30.143 -86.046 -5.320 1.00 42.22 C ATOM 1225 OE1 GLU A 83 31.182 -86.203 -4.647 1.00 53.32 O ATOM 1226 OE2 GLU A 83 29.498 -87.004 -5.783 1.00 25.22 O ATOM 0 H GLU A 83 27.883 -86.189 -5.190 1.00 45.34 H new ATOM 0 HA GLU A 83 27.011 -84.130 -3.419 1.00 53.14 H new ATOM 0 HB2 GLU A 83 29.062 -82.968 -4.374 1.00 53.44 H new ATOM 0 HB3 GLU A 83 29.302 -84.454 -3.476 1.00 53.44 H new ATOM 0 HG2 GLU A 83 28.997 -84.634 -6.450 1.00 34.25 H new ATOM 0 HG3 GLU A 83 30.496 -83.992 -5.808 1.00 34.25 H new ATOM 1233 N GLN A 84 26.675 -83.689 -6.658 1.00 71.32 N ATOM 1234 CA GLN A 84 25.993 -82.893 -7.672 1.00 73.41 C ATOM 1235 C GLN A 84 24.480 -83.076 -7.560 1.00 4.41 C ATOM 1236 O GLN A 84 23.714 -82.158 -7.845 1.00 35.12 O ATOM 1237 CB GLN A 84 26.484 -83.271 -9.078 1.00 70.43 C ATOM 1238 CG GLN A 84 27.801 -82.608 -9.486 1.00 43.51 C ATOM 1239 CD GLN A 84 28.943 -82.867 -8.523 1.00 53.33 C ATOM 1240 OE1 GLN A 84 29.685 -83.840 -8.661 1.00 64.14 O ATOM 1241 NE2 GLN A 84 29.103 -81.986 -7.549 1.00 5.13 N ATOM 0 H GLN A 84 27.140 -84.521 -7.020 1.00 71.32 H new ATOM 0 HA GLN A 84 26.227 -81.842 -7.503 1.00 73.41 H new ATOM 0 HB2 GLN A 84 26.605 -84.353 -9.129 1.00 70.43 H new ATOM 0 HB3 GLN A 84 25.716 -83.002 -9.803 1.00 70.43 H new ATOM 0 HG2 GLN A 84 28.085 -82.965 -10.476 1.00 43.51 H new ATOM 0 HG3 GLN A 84 27.645 -81.532 -9.568 1.00 43.51 H new ATOM 0 HE21 GLN A 84 28.467 -81.193 -7.469 1.00 5.13 H new ATOM 0 HE22 GLN A 84 29.863 -82.100 -6.878 1.00 5.13 H new ATOM 1250 N VAL A 85 24.056 -84.269 -7.144 1.00 33.13 N ATOM 1251 CA VAL A 85 22.644 -84.531 -6.881 1.00 22.34 C ATOM 1252 C VAL A 85 22.178 -83.696 -5.689 1.00 73.43 C ATOM 1253 O VAL A 85 21.075 -83.150 -5.694 1.00 53.31 O ATOM 1254 CB VAL A 85 22.375 -86.037 -6.616 1.00 44.11 C ATOM 1255 CG1 VAL A 85 20.908 -86.274 -6.246 1.00 71.00 C ATOM 1256 CG2 VAL A 85 22.762 -86.871 -7.838 1.00 25.24 C ATOM 0 H VAL A 85 24.670 -85.067 -6.982 1.00 33.13 H new ATOM 0 HA VAL A 85 22.080 -84.249 -7.770 1.00 22.34 H new ATOM 0 HB VAL A 85 22.991 -86.350 -5.773 1.00 44.11 H new ATOM 0 HG11 VAL A 85 20.745 -87.337 -6.065 1.00 71.00 H new ATOM 0 HG12 VAL A 85 20.665 -85.711 -5.345 1.00 71.00 H new ATOM 0 HG13 VAL A 85 20.268 -85.943 -7.064 1.00 71.00 H new ATOM 0 HG21 VAL A 85 22.567 -87.924 -7.636 1.00 25.24 H new ATOM 0 HG22 VAL A 85 22.173 -86.552 -8.698 1.00 25.24 H new ATOM 0 HG23 VAL A 85 23.822 -86.732 -8.052 1.00 25.24 H new ATOM 1266 N ASP A 86 23.041 -83.591 -4.678 1.00 15.30 N ATOM 1267 CA ASP A 86 22.794 -82.715 -3.530 1.00 63.23 C ATOM 1268 C ASP A 86 22.713 -81.267 -4.001 1.00 64.31 C ATOM 1269 O ASP A 86 21.866 -80.499 -3.548 1.00 72.04 O ATOM 1270 CB ASP A 86 23.910 -82.866 -2.478 1.00 35.40 C ATOM 1271 CG ASP A 86 23.788 -81.871 -1.324 1.00 14.31 C ATOM 1272 OD1 ASP A 86 23.097 -82.177 -0.331 1.00 32.10 O ATOM 1273 OD2 ASP A 86 24.390 -80.775 -1.401 1.00 61.35 O ATOM 0 H ASP A 86 23.921 -84.104 -4.630 1.00 15.30 H new ATOM 0 HA ASP A 86 21.849 -83.001 -3.069 1.00 63.23 H new ATOM 0 HB2 ASP A 86 23.889 -83.880 -2.079 1.00 35.40 H new ATOM 0 HB3 ASP A 86 24.877 -82.734 -2.962 1.00 35.40 H new ATOM 1278 N ALA A 87 23.600 -80.914 -4.928 1.00 21.34 N ATOM 1279 CA ALA A 87 23.600 -79.587 -5.536 1.00 34.53 C ATOM 1280 C ALA A 87 22.291 -79.337 -6.277 1.00 20.20 C ATOM 1281 O ALA A 87 21.726 -78.244 -6.218 1.00 62.15 O ATOM 1282 CB ALA A 87 24.779 -79.443 -6.492 1.00 10.13 C ATOM 0 H ALA A 87 24.332 -81.533 -5.276 1.00 21.34 H new ATOM 0 HA ALA A 87 23.697 -78.846 -4.743 1.00 34.53 H new ATOM 0 HB1 ALA A 87 24.766 -78.449 -6.938 1.00 10.13 H new ATOM 0 HB2 ALA A 87 25.711 -79.583 -5.944 1.00 10.13 H new ATOM 0 HB3 ALA A 87 24.704 -80.194 -7.278 1.00 10.13 H new ATOM 1288 N PHE A 88 21.812 -80.368 -6.967 1.00 23.24 N ATOM 1289 CA PHE A 88 20.607 -80.269 -7.776 1.00 53.22 C ATOM 1290 C PHE A 88 19.373 -80.121 -6.884 1.00 41.43 C ATOM 1291 O PHE A 88 18.524 -79.264 -7.122 1.00 24.23 O ATOM 1292 CB PHE A 88 20.480 -81.504 -8.681 1.00 13.44 C ATOM 1293 CG PHE A 88 19.627 -81.274 -9.904 1.00 60.45 C ATOM 1294 CD1 PHE A 88 20.188 -80.740 -11.056 1.00 2.04 C ATOM 1295 CD2 PHE A 88 18.275 -81.586 -9.906 1.00 41.43 C ATOM 1296 CE1 PHE A 88 19.422 -80.522 -12.181 1.00 65.45 C ATOM 1297 CE2 PHE A 88 17.502 -81.369 -11.032 1.00 43.45 C ATOM 1298 CZ PHE A 88 18.076 -80.836 -12.171 1.00 72.11 C ATOM 0 H PHE A 88 22.248 -81.290 -6.980 1.00 23.24 H new ATOM 0 HA PHE A 88 20.677 -79.382 -8.406 1.00 53.22 H new ATOM 0 HB2 PHE A 88 21.475 -81.816 -8.997 1.00 13.44 H new ATOM 0 HB3 PHE A 88 20.057 -82.325 -8.103 1.00 13.44 H new ATOM 0 HD1 PHE A 88 21.239 -80.492 -11.071 1.00 2.04 H new ATOM 0 HD2 PHE A 88 17.822 -82.003 -9.019 1.00 41.43 H new ATOM 0 HE1 PHE A 88 19.873 -80.106 -13.070 1.00 65.45 H new ATOM 0 HE2 PHE A 88 16.451 -81.616 -11.021 1.00 43.45 H new ATOM 0 HZ PHE A 88 17.474 -80.665 -13.051 1.00 72.11 H new ATOM 1308 N VAL A 89 19.277 -80.962 -5.853 1.00 5.13 N ATOM 1309 CA VAL A 89 18.143 -80.915 -4.924 1.00 63.22 C ATOM 1310 C VAL A 89 18.131 -79.584 -4.162 1.00 22.42 C ATOM 1311 O VAL A 89 17.074 -78.975 -3.953 1.00 63.11 O ATOM 1312 CB VAL A 89 18.157 -82.111 -3.921 1.00 62.24 C ATOM 1313 CG1 VAL A 89 19.269 -81.974 -2.884 1.00 41.30 C ATOM 1314 CG2 VAL A 89 16.797 -82.269 -3.242 1.00 71.34 C ATOM 0 H VAL A 89 19.967 -81.682 -5.639 1.00 5.13 H new ATOM 0 HA VAL A 89 17.233 -80.997 -5.519 1.00 63.22 H new ATOM 0 HB VAL A 89 18.361 -83.013 -4.498 1.00 62.24 H new ATOM 0 HG11 VAL A 89 19.242 -82.827 -2.207 1.00 41.30 H new ATOM 0 HG12 VAL A 89 20.235 -81.941 -3.388 1.00 41.30 H new ATOM 0 HG13 VAL A 89 19.125 -81.055 -2.316 1.00 41.30 H new ATOM 0 HG21 VAL A 89 16.832 -83.109 -2.548 1.00 71.34 H new ATOM 0 HG22 VAL A 89 16.555 -81.357 -2.696 1.00 71.34 H new ATOM 0 HG23 VAL A 89 16.033 -82.454 -3.997 1.00 71.34 H new ATOM 1324 N LYS A 90 19.319 -79.133 -3.768 1.00 72.24 N ATOM 1325 CA LYS A 90 19.491 -77.837 -3.118 1.00 63.21 C ATOM 1326 C LYS A 90 19.000 -76.729 -4.044 1.00 31.12 C ATOM 1327 O LYS A 90 18.234 -75.851 -3.641 1.00 14.12 O ATOM 1328 CB LYS A 90 20.974 -77.636 -2.762 1.00 12.24 C ATOM 1329 CG LYS A 90 21.315 -76.277 -2.157 1.00 73.32 C ATOM 1330 CD LYS A 90 20.524 -75.994 -0.883 1.00 40.24 C ATOM 1331 CE LYS A 90 20.990 -74.709 -0.207 1.00 1.53 C ATOM 1332 NZ LYS A 90 20.970 -73.544 -1.132 1.00 60.33 N ATOM 0 H LYS A 90 20.187 -79.654 -3.890 1.00 72.24 H new ATOM 0 HA LYS A 90 18.905 -77.803 -2.200 1.00 63.21 H new ATOM 0 HB2 LYS A 90 21.272 -78.414 -2.060 1.00 12.24 H new ATOM 0 HB3 LYS A 90 21.570 -77.775 -3.664 1.00 12.24 H new ATOM 0 HG2 LYS A 90 22.382 -76.238 -1.936 1.00 73.32 H new ATOM 0 HG3 LYS A 90 21.112 -75.495 -2.889 1.00 73.32 H new ATOM 0 HD2 LYS A 90 19.463 -75.916 -1.122 1.00 40.24 H new ATOM 0 HD3 LYS A 90 20.634 -76.830 -0.192 1.00 40.24 H new ATOM 0 HE2 LYS A 90 20.351 -74.500 0.651 1.00 1.53 H new ATOM 0 HE3 LYS A 90 22.001 -74.849 0.176 1.00 1.53 H new ATOM 0 HZ1 LYS A 90 21.146 -72.671 -0.595 1.00 60.33 H new ATOM 0 HZ2 LYS A 90 21.709 -73.661 -1.854 1.00 60.33 H new ATOM 0 HZ3 LYS A 90 20.041 -73.484 -1.595 1.00 60.33 H new ATOM 1346 N TYR A 91 19.437 -76.807 -5.294 1.00 10.11 N ATOM 1347 CA TYR A 91 19.019 -75.888 -6.346 1.00 12.44 C ATOM 1348 C TYR A 91 17.500 -75.924 -6.527 1.00 44.40 C ATOM 1349 O TYR A 91 16.855 -74.889 -6.685 1.00 2.03 O ATOM 1350 CB TYR A 91 19.736 -76.285 -7.646 1.00 54.24 C ATOM 1351 CG TYR A 91 19.219 -75.620 -8.909 1.00 52.31 C ATOM 1352 CD1 TYR A 91 19.651 -74.355 -9.286 1.00 71.31 C ATOM 1353 CD2 TYR A 91 18.308 -76.276 -9.732 1.00 52.30 C ATOM 1354 CE1 TYR A 91 19.191 -73.762 -10.445 1.00 23.41 C ATOM 1355 CE2 TYR A 91 17.842 -75.688 -10.890 1.00 24.51 C ATOM 1356 CZ TYR A 91 18.288 -74.433 -11.242 1.00 4.44 C ATOM 1357 OH TYR A 91 17.841 -73.845 -12.402 1.00 53.33 O ATOM 0 H TYR A 91 20.098 -77.517 -5.610 1.00 10.11 H new ATOM 0 HA TYR A 91 19.287 -74.867 -6.074 1.00 12.44 H new ATOM 0 HB2 TYR A 91 20.796 -76.052 -7.541 1.00 54.24 H new ATOM 0 HB3 TYR A 91 19.658 -77.365 -7.768 1.00 54.24 H new ATOM 0 HD1 TYR A 91 20.358 -73.827 -8.663 1.00 71.31 H new ATOM 0 HD2 TYR A 91 17.960 -77.262 -9.460 1.00 52.30 H new ATOM 0 HE1 TYR A 91 19.537 -72.778 -10.726 1.00 23.41 H new ATOM 0 HE2 TYR A 91 17.132 -76.208 -11.516 1.00 24.51 H new ATOM 0 HH TYR A 91 16.861 -73.816 -12.398 1.00 53.33 H new ATOM 1367 N LEU A 92 16.939 -77.127 -6.488 1.00 51.34 N ATOM 1368 CA LEU A 92 15.509 -77.327 -6.696 1.00 60.14 C ATOM 1369 C LEU A 92 14.714 -76.717 -5.538 1.00 5.34 C ATOM 1370 O LEU A 92 13.613 -76.200 -5.729 1.00 21.55 O ATOM 1371 CB LEU A 92 15.206 -78.833 -6.823 1.00 42.10 C ATOM 1372 CG LEU A 92 14.193 -79.229 -7.912 1.00 14.12 C ATOM 1373 CD1 LEU A 92 12.838 -78.559 -7.688 1.00 1.11 C ATOM 1374 CD2 LEU A 92 14.741 -78.897 -9.300 1.00 4.50 C ATOM 0 H LEU A 92 17.459 -77.987 -6.312 1.00 51.34 H new ATOM 0 HA LEU A 92 15.210 -76.828 -7.618 1.00 60.14 H new ATOM 0 HB2 LEU A 92 16.142 -79.356 -7.018 1.00 42.10 H new ATOM 0 HB3 LEU A 92 14.835 -79.191 -5.863 1.00 42.10 H new ATOM 0 HG LEU A 92 14.040 -80.306 -7.849 1.00 14.12 H new ATOM 0 HD11 LEU A 92 12.148 -78.861 -8.476 1.00 1.11 H new ATOM 0 HD12 LEU A 92 12.438 -78.861 -6.720 1.00 1.11 H new ATOM 0 HD13 LEU A 92 12.960 -77.476 -7.708 1.00 1.11 H new ATOM 0 HD21 LEU A 92 14.011 -79.184 -10.057 1.00 4.50 H new ATOM 0 HD22 LEU A 92 14.934 -77.826 -9.369 1.00 4.50 H new ATOM 0 HD23 LEU A 92 15.669 -79.444 -9.465 1.00 4.50 H new ATOM 1386 N HIS A 93 15.288 -76.779 -4.332 1.00 5.42 N ATOM 1387 CA HIS A 93 14.637 -76.228 -3.136 1.00 23.34 C ATOM 1388 C HIS A 93 14.403 -74.722 -3.271 1.00 11.23 C ATOM 1389 O HIS A 93 13.561 -74.150 -2.574 1.00 14.15 O ATOM 1390 CB HIS A 93 15.477 -76.508 -1.876 1.00 35.40 C ATOM 1391 CG HIS A 93 15.550 -77.956 -1.491 1.00 30.45 C ATOM 1392 ND1 HIS A 93 16.542 -78.470 -0.681 1.00 2.31 N ATOM 1393 CD2 HIS A 93 14.745 -78.999 -1.799 1.00 73.34 C ATOM 1394 CE1 HIS A 93 16.343 -79.761 -0.511 1.00 65.23 C ATOM 1395 NE2 HIS A 93 15.258 -80.110 -1.178 1.00 2.30 N ATOM 0 H HIS A 93 16.199 -77.203 -4.157 1.00 5.42 H new ATOM 0 HA HIS A 93 13.670 -76.722 -3.039 1.00 23.34 H new ATOM 0 HB2 HIS A 93 16.489 -76.136 -2.038 1.00 35.40 H new ATOM 0 HB3 HIS A 93 15.059 -75.943 -1.042 1.00 35.40 H new ATOM 0 HD2 HIS A 93 13.862 -78.964 -2.419 1.00 73.34 H new ATOM 0 HE1 HIS A 93 16.963 -80.423 0.075 1.00 65.23 H new ATOM 0 HE2 HIS A 93 14.866 -81.050 -1.224 1.00 2.30 H new ATOM 1404 N LYS A 94 15.157 -74.090 -4.168 1.00 64.43 N ATOM 1405 CA LYS A 94 15.039 -72.654 -4.420 1.00 13.01 C ATOM 1406 C LYS A 94 13.624 -72.321 -4.902 1.00 4.10 C ATOM 1407 O LYS A 94 13.012 -71.346 -4.454 1.00 53.20 O ATOM 1408 CB LYS A 94 16.104 -72.230 -5.456 1.00 13.44 C ATOM 1409 CG LYS A 94 16.264 -70.720 -5.671 1.00 34.11 C ATOM 1410 CD LYS A 94 15.153 -70.121 -6.536 1.00 31.12 C ATOM 1411 CE LYS A 94 15.482 -68.704 -6.991 1.00 75.41 C ATOM 1412 NZ LYS A 94 15.733 -67.786 -5.847 1.00 1.31 N ATOM 0 H LYS A 94 15.863 -74.555 -4.738 1.00 64.43 H new ATOM 0 HA LYS A 94 15.214 -72.099 -3.498 1.00 13.01 H new ATOM 0 HB2 LYS A 94 17.066 -72.638 -5.147 1.00 13.44 H new ATOM 0 HB3 LYS A 94 15.856 -72.690 -6.413 1.00 13.44 H new ATOM 0 HG2 LYS A 94 16.274 -70.219 -4.703 1.00 34.11 H new ATOM 0 HG3 LYS A 94 17.228 -70.525 -6.140 1.00 34.11 H new ATOM 0 HD2 LYS A 94 14.993 -70.754 -7.409 1.00 31.12 H new ATOM 0 HD3 LYS A 94 14.220 -70.113 -5.973 1.00 31.12 H new ATOM 0 HE2 LYS A 94 16.361 -68.727 -7.635 1.00 75.41 H new ATOM 0 HE3 LYS A 94 14.658 -68.317 -7.590 1.00 75.41 H new ATOM 0 HZ1 LYS A 94 15.869 -66.818 -6.202 1.00 1.31 H new ATOM 0 HZ2 LYS A 94 14.919 -67.807 -5.200 1.00 1.31 H new ATOM 0 HZ3 LYS A 94 16.587 -68.091 -5.338 1.00 1.31 H new ATOM 1426 N GLY A 95 13.099 -73.156 -5.792 1.00 31.54 N ATOM 1427 CA GLY A 95 11.780 -72.922 -6.361 1.00 21.24 C ATOM 1428 C GLY A 95 11.851 -72.111 -7.641 1.00 10.52 C ATOM 1429 O GLY A 95 12.830 -72.203 -8.378 1.00 3.03 O ATOM 0 H GLY A 95 13.565 -73.997 -6.133 1.00 31.54 H new ATOM 0 HA2 GLY A 95 11.297 -73.878 -6.564 1.00 21.24 H new ATOM 0 HA3 GLY A 95 11.159 -72.399 -5.634 1.00 21.24 H new ATOM 1433 N SER A 96 10.821 -71.312 -7.908 1.00 75.45 N ATOM 1434 CA SER A 96 10.777 -70.484 -9.113 1.00 64.44 C ATOM 1435 C SER A 96 10.325 -69.056 -8.775 1.00 73.22 C ATOM 1436 O SER A 96 9.395 -68.867 -7.994 1.00 41.20 O ATOM 1437 CB SER A 96 9.833 -71.117 -10.141 1.00 73.31 C ATOM 1438 OG SER A 96 10.251 -72.430 -10.468 1.00 75.44 O ATOM 0 H SER A 96 10.003 -71.219 -7.305 1.00 75.45 H new ATOM 0 HA SER A 96 11.779 -70.428 -9.538 1.00 64.44 H new ATOM 0 HB2 SER A 96 8.819 -71.142 -9.742 1.00 73.31 H new ATOM 0 HB3 SER A 96 9.806 -70.504 -11.042 1.00 73.31 H new ATOM 0 HG SER A 96 9.491 -73.044 -10.392 1.00 75.44 H new ATOM 1444 N PRO A 97 10.990 -68.026 -9.341 1.00 15.32 N ATOM 1445 CA PRO A 97 10.639 -66.622 -9.089 1.00 63.34 C ATOM 1446 C PRO A 97 9.389 -66.175 -9.859 1.00 3.15 C ATOM 1447 O PRO A 97 8.587 -65.383 -9.355 1.00 13.01 O ATOM 1448 CB PRO A 97 11.884 -65.839 -9.569 1.00 53.52 C ATOM 1449 CG PRO A 97 12.911 -66.872 -9.919 1.00 13.42 C ATOM 1450 CD PRO A 97 12.151 -68.129 -10.237 1.00 51.42 C ATOM 0 HA PRO A 97 10.395 -66.453 -8.040 1.00 63.34 H new ATOM 0 HB2 PRO A 97 11.645 -65.218 -10.432 1.00 53.52 H new ATOM 0 HB3 PRO A 97 12.251 -65.173 -8.788 1.00 53.52 H new ATOM 0 HG2 PRO A 97 13.509 -66.553 -10.772 1.00 13.42 H new ATOM 0 HG3 PRO A 97 13.600 -67.033 -9.089 1.00 13.42 H new ATOM 0 HD2 PRO A 97 11.854 -68.171 -11.285 1.00 51.42 H new ATOM 0 HD3 PRO A 97 12.741 -69.023 -10.037 1.00 51.42 H new ATOM 1458 N LYS A 98 9.232 -66.688 -11.079 1.00 53.54 N ATOM 1459 CA LYS A 98 8.139 -66.276 -11.964 1.00 24.34 C ATOM 1460 C LYS A 98 6.871 -67.101 -11.718 1.00 74.31 C ATOM 1461 O LYS A 98 5.778 -66.711 -12.131 1.00 21.32 O ATOM 1462 CB LYS A 98 8.583 -66.405 -13.433 1.00 51.22 C ATOM 1463 CG LYS A 98 7.536 -65.940 -14.445 1.00 43.41 C ATOM 1464 CD LYS A 98 8.012 -66.119 -15.885 1.00 31.02 C ATOM 1465 CE LYS A 98 6.936 -65.724 -16.896 1.00 2.21 C ATOM 1466 NZ LYS A 98 6.551 -64.291 -16.785 1.00 75.23 N ATOM 0 H LYS A 98 9.850 -67.393 -11.480 1.00 53.54 H new ATOM 0 HA LYS A 98 7.901 -65.235 -11.746 1.00 24.34 H new ATOM 0 HB2 LYS A 98 9.495 -65.826 -13.578 1.00 51.22 H new ATOM 0 HB3 LYS A 98 8.831 -67.447 -13.636 1.00 51.22 H new ATOM 0 HG2 LYS A 98 6.614 -66.501 -14.296 1.00 43.41 H new ATOM 0 HG3 LYS A 98 7.302 -64.890 -14.268 1.00 43.41 H new ATOM 0 HD2 LYS A 98 8.904 -65.515 -16.050 1.00 31.02 H new ATOM 0 HD3 LYS A 98 8.297 -67.159 -16.046 1.00 31.02 H new ATOM 0 HE2 LYS A 98 7.299 -65.923 -17.905 1.00 2.21 H new ATOM 0 HE3 LYS A 98 6.054 -66.347 -16.746 1.00 2.21 H new ATOM 0 HZ1 LYS A 98 5.909 -64.043 -17.564 1.00 75.23 H new ATOM 0 HZ2 LYS A 98 6.071 -64.130 -15.876 1.00 75.23 H new ATOM 0 HZ3 LYS A 98 7.403 -63.698 -16.836 1.00 75.23 H new ATOM 1480 N SER A 99 7.013 -68.234 -11.043 1.00 22.33 N ATOM 1481 CA SER A 99 5.885 -69.129 -10.803 1.00 33.13 C ATOM 1482 C SER A 99 5.906 -69.659 -9.374 1.00 51.15 C ATOM 1483 O SER A 99 6.973 -69.847 -8.789 1.00 65.20 O ATOM 1484 CB SER A 99 5.917 -70.284 -11.804 1.00 24.15 C ATOM 1485 OG SER A 99 5.856 -69.799 -13.135 1.00 42.35 O ATOM 0 H SER A 99 7.898 -68.557 -10.651 1.00 22.33 H new ATOM 0 HA SER A 99 4.960 -68.568 -10.938 1.00 33.13 H new ATOM 0 HB2 SER A 99 6.828 -70.866 -11.666 1.00 24.15 H new ATOM 0 HB3 SER A 99 5.079 -70.956 -11.618 1.00 24.15 H new ATOM 0 HG SER A 99 5.879 -70.554 -13.760 1.00 42.35 H new ATOM 1491 N VAL A 100 4.720 -69.899 -8.822 1.00 74.22 N ATOM 1492 CA VAL A 100 4.582 -70.352 -7.443 1.00 45.42 C ATOM 1493 C VAL A 100 4.604 -71.880 -7.365 1.00 51.00 C ATOM 1494 O VAL A 100 3.697 -72.552 -7.872 1.00 74.34 O ATOM 1495 CB VAL A 100 3.264 -69.826 -6.813 1.00 21.34 C ATOM 1496 CG1 VAL A 100 3.135 -70.272 -5.357 1.00 13.01 C ATOM 1497 CG2 VAL A 100 3.180 -68.302 -6.924 1.00 20.43 C ATOM 0 H VAL A 100 3.834 -69.786 -9.314 1.00 74.22 H new ATOM 0 HA VAL A 100 5.428 -69.953 -6.884 1.00 45.42 H new ATOM 0 HB VAL A 100 2.431 -70.255 -7.370 1.00 21.34 H new ATOM 0 HG11 VAL A 100 2.203 -69.890 -4.941 1.00 13.01 H new ATOM 0 HG12 VAL A 100 3.134 -71.361 -5.309 1.00 13.01 H new ATOM 0 HG13 VAL A 100 3.976 -69.884 -4.782 1.00 13.01 H new ATOM 0 HG21 VAL A 100 2.249 -67.955 -6.476 1.00 20.43 H new ATOM 0 HG22 VAL A 100 4.024 -67.852 -6.401 1.00 20.43 H new ATOM 0 HG23 VAL A 100 3.208 -68.012 -7.974 1.00 20.43 H new ATOM 1507 N VAL A 101 5.651 -72.422 -6.752 1.00 73.33 N ATOM 1508 CA VAL A 101 5.738 -73.853 -6.499 1.00 33.12 C ATOM 1509 C VAL A 101 5.022 -74.179 -5.192 1.00 14.21 C ATOM 1510 O VAL A 101 5.109 -73.423 -4.221 1.00 71.23 O ATOM 1511 CB VAL A 101 7.211 -74.349 -6.433 1.00 1.53 C ATOM 1512 CG1 VAL A 101 7.922 -74.107 -7.765 1.00 0.11 C ATOM 1513 CG2 VAL A 101 7.972 -73.684 -5.282 1.00 23.20 C ATOM 0 H VAL A 101 6.454 -71.888 -6.420 1.00 73.33 H new ATOM 0 HA VAL A 101 5.259 -74.369 -7.331 1.00 33.12 H new ATOM 0 HB VAL A 101 7.193 -75.422 -6.242 1.00 1.53 H new ATOM 0 HG11 VAL A 101 8.951 -74.461 -7.698 1.00 0.11 H new ATOM 0 HG12 VAL A 101 7.404 -74.647 -8.557 1.00 0.11 H new ATOM 0 HG13 VAL A 101 7.919 -73.041 -7.990 1.00 0.11 H new ATOM 0 HG21 VAL A 101 8.998 -74.052 -5.263 1.00 23.20 H new ATOM 0 HG22 VAL A 101 7.977 -72.603 -5.425 1.00 23.20 H new ATOM 0 HG23 VAL A 101 7.484 -73.923 -4.337 1.00 23.20 H new ATOM 1523 N LYS A 102 4.291 -75.280 -5.178 1.00 25.24 N ATOM 1524 CA LYS A 102 3.526 -75.683 -4.001 1.00 22.23 C ATOM 1525 C LYS A 102 4.377 -76.545 -3.068 1.00 52.51 C ATOM 1526 O LYS A 102 4.395 -76.331 -1.856 1.00 64.20 O ATOM 1527 CB LYS A 102 2.259 -76.442 -4.431 1.00 14.41 C ATOM 1528 CG LYS A 102 1.341 -76.898 -3.284 1.00 2.24 C ATOM 1529 CD LYS A 102 0.521 -75.755 -2.667 1.00 35.55 C ATOM 1530 CE LYS A 102 1.325 -74.906 -1.684 1.00 34.44 C ATOM 1531 NZ LYS A 102 1.804 -75.702 -0.519 1.00 11.03 N ATOM 0 H LYS A 102 4.208 -75.917 -5.971 1.00 25.24 H new ATOM 0 HA LYS A 102 3.231 -74.786 -3.456 1.00 22.23 H new ATOM 0 HB2 LYS A 102 1.684 -75.804 -5.102 1.00 14.41 H new ATOM 0 HB3 LYS A 102 2.559 -77.319 -5.004 1.00 14.41 H new ATOM 0 HG2 LYS A 102 0.660 -77.664 -3.656 1.00 2.24 H new ATOM 0 HG3 LYS A 102 1.947 -77.361 -2.506 1.00 2.24 H new ATOM 0 HD2 LYS A 102 0.142 -75.116 -3.464 1.00 35.55 H new ATOM 0 HD3 LYS A 102 -0.345 -76.173 -2.154 1.00 35.55 H new ATOM 0 HE2 LYS A 102 2.180 -74.467 -2.199 1.00 34.44 H new ATOM 0 HE3 LYS A 102 0.708 -74.080 -1.330 1.00 34.44 H new ATOM 0 HZ1 LYS A 102 1.843 -75.094 0.324 1.00 11.03 H new ATOM 0 HZ2 LYS A 102 1.150 -76.492 -0.346 1.00 11.03 H new ATOM 0 HZ3 LYS A 102 2.753 -76.076 -0.721 1.00 11.03 H new ATOM 1545 N LYS A 103 5.084 -77.514 -3.644 1.00 12.03 N ATOM 1546 CA LYS A 103 5.897 -78.449 -2.869 1.00 72.44 C ATOM 1547 C LYS A 103 6.826 -79.247 -3.785 1.00 14.24 C ATOM 1548 O LYS A 103 6.420 -79.669 -4.868 1.00 53.50 O ATOM 1549 CB LYS A 103 4.987 -79.412 -2.082 1.00 61.22 C ATOM 1550 CG LYS A 103 5.732 -80.548 -1.385 1.00 3.35 C ATOM 1551 CD LYS A 103 4.769 -81.547 -0.754 1.00 22.31 C ATOM 1552 CE LYS A 103 5.496 -82.753 -0.175 1.00 15.43 C ATOM 1553 NZ LYS A 103 4.547 -83.720 0.428 1.00 35.52 N ATOM 0 H LYS A 103 5.110 -77.673 -4.651 1.00 12.03 H new ATOM 0 HA LYS A 103 6.506 -77.876 -2.170 1.00 72.44 H new ATOM 0 HB2 LYS A 103 4.434 -78.843 -1.335 1.00 61.22 H new ATOM 0 HB3 LYS A 103 4.252 -79.839 -2.765 1.00 61.22 H new ATOM 0 HG2 LYS A 103 6.370 -81.061 -2.105 1.00 3.35 H new ATOM 0 HG3 LYS A 103 6.386 -80.137 -0.616 1.00 3.35 H new ATOM 0 HD2 LYS A 103 4.200 -81.054 0.034 1.00 22.31 H new ATOM 0 HD3 LYS A 103 4.051 -81.882 -1.503 1.00 22.31 H new ATOM 0 HE2 LYS A 103 6.069 -83.245 -0.960 1.00 15.43 H new ATOM 0 HE3 LYS A 103 6.209 -82.422 0.580 1.00 15.43 H new ATOM 0 HZ1 LYS A 103 5.074 -84.530 0.813 1.00 35.52 H new ATOM 0 HZ2 LYS A 103 4.018 -83.256 1.193 1.00 35.52 H new ATOM 0 HZ3 LYS A 103 3.883 -84.054 -0.299 1.00 35.52 H new ATOM 1567 N VAL A 104 8.067 -79.447 -3.352 1.00 20.25 N ATOM 1568 CA VAL A 104 9.013 -80.301 -4.069 1.00 63.52 C ATOM 1569 C VAL A 104 8.957 -81.718 -3.496 1.00 23.40 C ATOM 1570 O VAL A 104 8.804 -81.897 -2.286 1.00 41.12 O ATOM 1571 CB VAL A 104 10.463 -79.748 -3.983 1.00 12.25 C ATOM 1572 CG1 VAL A 104 10.930 -79.635 -2.530 1.00 24.45 C ATOM 1573 CG2 VAL A 104 11.423 -80.616 -4.798 1.00 13.11 C ATOM 0 H VAL A 104 8.444 -79.027 -2.503 1.00 20.25 H new ATOM 0 HA VAL A 104 8.728 -80.316 -5.121 1.00 63.52 H new ATOM 0 HB VAL A 104 10.463 -78.745 -4.410 1.00 12.25 H new ATOM 0 HG11 VAL A 104 11.948 -79.245 -2.504 1.00 24.45 H new ATOM 0 HG12 VAL A 104 10.269 -78.960 -1.987 1.00 24.45 H new ATOM 0 HG13 VAL A 104 10.906 -80.619 -2.063 1.00 24.45 H new ATOM 0 HG21 VAL A 104 12.432 -80.211 -4.724 1.00 13.11 H new ATOM 0 HG22 VAL A 104 11.411 -81.634 -4.410 1.00 13.11 H new ATOM 0 HG23 VAL A 104 11.110 -80.622 -5.842 1.00 13.11 H new ATOM 1583 N SER A 105 9.033 -82.721 -4.366 1.00 70.15 N ATOM 1584 CA SER A 105 8.970 -84.116 -3.949 1.00 14.10 C ATOM 1585 C SER A 105 10.000 -84.940 -4.716 1.00 74.04 C ATOM 1586 O SER A 105 10.149 -84.790 -5.932 1.00 24.02 O ATOM 1587 CB SER A 105 7.555 -84.662 -4.174 1.00 4.52 C ATOM 1588 OG SER A 105 6.594 -83.884 -3.475 1.00 72.03 O ATOM 0 H SER A 105 9.139 -82.590 -5.372 1.00 70.15 H new ATOM 0 HA SER A 105 9.202 -84.185 -2.886 1.00 14.10 H new ATOM 0 HB2 SER A 105 7.325 -84.660 -5.239 1.00 4.52 H new ATOM 0 HB3 SER A 105 7.503 -85.698 -3.839 1.00 4.52 H new ATOM 0 HG SER A 105 5.699 -84.249 -3.634 1.00 72.03 H new ATOM 1594 N ILE A 106 10.722 -85.792 -3.996 1.00 60.24 N ATOM 1595 CA ILE A 106 11.759 -86.630 -4.591 1.00 10.30 C ATOM 1596 C ILE A 106 11.417 -88.103 -4.353 1.00 61.14 C ATOM 1597 O ILE A 106 10.788 -88.437 -3.347 1.00 52.41 O ATOM 1598 CB ILE A 106 13.157 -86.317 -3.986 1.00 72.12 C ATOM 1599 CG1 ILE A 106 13.360 -84.797 -3.820 1.00 61.14 C ATOM 1600 CG2 ILE A 106 14.254 -86.898 -4.870 1.00 61.45 C ATOM 1601 CD1 ILE A 106 13.354 -84.017 -5.123 1.00 61.02 C ATOM 0 H ILE A 106 10.607 -85.921 -2.991 1.00 60.24 H new ATOM 0 HA ILE A 106 11.798 -86.420 -5.660 1.00 10.30 H new ATOM 0 HB ILE A 106 13.211 -86.778 -3.000 1.00 72.12 H new ATOM 0 HG12 ILE A 106 12.574 -84.406 -3.173 1.00 61.14 H new ATOM 0 HG13 ILE A 106 14.308 -84.623 -3.311 1.00 61.14 H new ATOM 0 HG21 ILE A 106 15.228 -86.673 -4.436 1.00 61.45 H new ATOM 0 HG22 ILE A 106 14.130 -87.979 -4.941 1.00 61.45 H new ATOM 0 HG23 ILE A 106 14.190 -86.459 -5.866 1.00 61.45 H new ATOM 0 HD11 ILE A 106 13.503 -82.958 -4.914 1.00 61.02 H new ATOM 0 HD12 ILE A 106 14.158 -84.376 -5.766 1.00 61.02 H new ATOM 0 HD13 ILE A 106 12.397 -84.156 -5.626 1.00 61.02 H new ATOM 1613 N HIS A 107 11.811 -88.985 -5.274 1.00 62.33 N ATOM 1614 CA HIS A 107 11.502 -90.411 -5.152 1.00 42.21 C ATOM 1615 C HIS A 107 12.762 -91.257 -5.335 1.00 3.14 C ATOM 1616 O HIS A 107 13.700 -90.860 -6.035 1.00 44.31 O ATOM 1617 CB HIS A 107 10.428 -90.840 -6.168 1.00 1.15 C ATOM 1618 CG HIS A 107 9.129 -90.096 -6.051 1.00 52.33 C ATOM 1619 ND1 HIS A 107 8.431 -89.628 -7.144 1.00 63.51 N ATOM 1620 CD2 HIS A 107 8.389 -89.756 -4.967 1.00 51.43 C ATOM 1621 CE1 HIS A 107 7.327 -89.032 -6.737 1.00 61.40 C ATOM 1622 NE2 HIS A 107 7.275 -89.097 -5.422 1.00 21.31 N ATOM 0 H HIS A 107 12.342 -88.738 -6.109 1.00 62.33 H new ATOM 0 HA HIS A 107 11.109 -90.576 -4.149 1.00 42.21 H new ATOM 0 HB2 HIS A 107 10.822 -90.702 -7.175 1.00 1.15 H new ATOM 0 HB3 HIS A 107 10.234 -91.906 -6.045 1.00 1.15 H new ATOM 0 HD2 HIS A 107 8.632 -89.965 -3.936 1.00 51.43 H new ATOM 0 HE1 HIS A 107 6.589 -88.568 -7.375 1.00 61.40 H new ATOM 0 HE2 HIS A 107 6.529 -88.719 -4.838 1.00 21.31 H new ATOM 1631 N ALA A 108 12.726 -92.443 -4.737 1.00 62.21 N ATOM 1632 CA ALA A 108 13.873 -93.354 -4.623 1.00 71.54 C ATOM 1633 C ALA A 108 14.271 -94.025 -5.945 1.00 51.20 C ATOM 1634 O ALA A 108 15.134 -94.905 -5.948 1.00 13.21 O ATOM 1635 CB ALA A 108 13.590 -94.411 -3.561 1.00 1.01 C ATOM 0 H ALA A 108 11.879 -92.812 -4.305 1.00 62.21 H new ATOM 0 HA ALA A 108 14.725 -92.739 -4.331 1.00 71.54 H new ATOM 0 HB1 ALA A 108 14.444 -95.084 -3.481 1.00 1.01 H new ATOM 0 HB2 ALA A 108 13.419 -93.925 -2.600 1.00 1.01 H new ATOM 0 HB3 ALA A 108 12.704 -94.981 -3.842 1.00 1.01 H new ATOM 1641 N SER A 109 13.643 -93.634 -7.053 1.00 22.12 N ATOM 1642 CA SER A 109 13.759 -94.376 -8.309 1.00 13.31 C ATOM 1643 C SER A 109 15.210 -94.456 -8.788 1.00 70.35 C ATOM 1644 O SER A 109 15.918 -93.452 -8.860 1.00 20.01 O ATOM 1645 CB SER A 109 12.903 -93.694 -9.377 1.00 75.32 C ATOM 1646 OG SER A 109 11.553 -93.594 -8.949 1.00 74.32 O ATOM 0 H SER A 109 13.048 -92.807 -7.107 1.00 22.12 H new ATOM 0 HA SER A 109 13.410 -95.394 -8.136 1.00 13.31 H new ATOM 0 HB2 SER A 109 13.298 -92.700 -9.587 1.00 75.32 H new ATOM 0 HB3 SER A 109 12.954 -94.260 -10.307 1.00 75.32 H new ATOM 0 HG SER A 109 11.021 -93.154 -9.644 1.00 74.32 H new ATOM 1652 N SER A 110 15.627 -95.676 -9.115 1.00 53.15 N ATOM 1653 CA SER A 110 17.016 -95.981 -9.420 1.00 44.34 C ATOM 1654 C SER A 110 17.382 -95.640 -10.870 1.00 21.33 C ATOM 1655 O SER A 110 16.534 -95.202 -11.654 1.00 40.12 O ATOM 1656 CB SER A 110 17.281 -97.462 -9.125 1.00 20.12 C ATOM 1657 OG SER A 110 16.289 -98.279 -9.722 1.00 61.20 O ATOM 0 H SER A 110 15.006 -96.483 -9.175 1.00 53.15 H new ATOM 0 HA SER A 110 17.649 -95.359 -8.787 1.00 44.34 H new ATOM 0 HB2 SER A 110 18.265 -97.742 -9.502 1.00 20.12 H new ATOM 0 HB3 SER A 110 17.294 -97.626 -8.048 1.00 20.12 H new ATOM 0 HG SER A 110 16.477 -99.220 -9.523 1.00 61.20 H new ATOM 1663 N ARG A 111 18.658 -95.870 -11.196 1.00 10.21 N ATOM 1664 CA ARG A 111 19.270 -95.477 -12.472 1.00 70.34 C ATOM 1665 C ARG A 111 18.368 -95.759 -13.681 1.00 33.55 C ATOM 1666 O ARG A 111 17.914 -96.886 -13.887 1.00 43.23 O ATOM 1667 CB ARG A 111 20.611 -96.207 -12.625 1.00 25.13 C ATOM 1668 CG ARG A 111 21.414 -95.814 -13.861 1.00 15.51 C ATOM 1669 CD ARG A 111 22.788 -96.476 -13.857 1.00 32.52 C ATOM 1670 NE ARG A 111 22.698 -97.941 -13.824 1.00 21.10 N ATOM 1671 CZ ARG A 111 23.355 -98.725 -12.961 1.00 63.31 C ATOM 1672 NH1 ARG A 111 24.081 -98.193 -11.985 1.00 42.52 N ATOM 1673 NH2 ARG A 111 23.264-100.042 -13.066 1.00 12.12 N ATOM 0 H ARG A 111 19.308 -96.344 -10.569 1.00 10.21 H new ATOM 0 HA ARG A 111 19.422 -94.398 -12.450 1.00 70.34 H new ATOM 0 HB2 ARG A 111 21.217 -96.015 -11.739 1.00 25.13 H new ATOM 0 HB3 ARG A 111 20.423 -97.280 -12.657 1.00 25.13 H new ATOM 0 HG2 ARG A 111 20.870 -96.105 -14.760 1.00 15.51 H new ATOM 0 HG3 ARG A 111 21.529 -94.731 -13.894 1.00 15.51 H new ATOM 0 HD2 ARG A 111 23.340 -96.168 -14.745 1.00 32.52 H new ATOM 0 HD3 ARG A 111 23.354 -96.129 -12.993 1.00 32.52 H new ATOM 0 HE ARG A 111 22.091 -98.394 -14.508 1.00 21.10 H new ATOM 0 HH11 ARG A 111 24.141 -97.179 -11.889 1.00 42.52 H new ATOM 0 HH12 ARG A 111 24.579 -98.798 -11.332 1.00 42.52 H new ATOM 0 HH21 ARG A 111 22.694-100.457 -13.803 1.00 12.12 H new ATOM 0 HH22 ARG A 111 23.764-100.642 -12.410 1.00 12.12 H new ATOM 1687 N VAL A 112 18.125 -94.714 -14.477 1.00 42.33 N ATOM 1688 CA VAL A 112 17.289 -94.794 -15.680 1.00 22.53 C ATOM 1689 C VAL A 112 18.090 -94.369 -16.909 1.00 21.24 C ATOM 1690 O VAL A 112 19.257 -93.993 -16.793 1.00 51.15 O ATOM 1691 CB VAL A 112 16.030 -93.896 -15.567 1.00 42.34 C ATOM 1692 CG1 VAL A 112 15.153 -94.330 -14.396 1.00 12.25 C ATOM 1693 CG2 VAL A 112 16.425 -92.426 -15.437 1.00 12.43 C ATOM 0 H VAL A 112 18.505 -93.783 -14.305 1.00 42.33 H new ATOM 0 HA VAL A 112 16.968 -95.831 -15.780 1.00 22.53 H new ATOM 0 HB VAL A 112 15.448 -94.012 -16.482 1.00 42.34 H new ATOM 0 HG11 VAL A 112 14.277 -93.684 -14.339 1.00 12.25 H new ATOM 0 HG12 VAL A 112 14.834 -95.362 -14.543 1.00 12.25 H new ATOM 0 HG13 VAL A 112 15.721 -94.254 -13.469 1.00 12.25 H new ATOM 0 HG21 VAL A 112 15.527 -91.813 -15.359 1.00 12.43 H new ATOM 0 HG22 VAL A 112 17.035 -92.291 -14.544 1.00 12.43 H new ATOM 0 HG23 VAL A 112 16.995 -92.123 -16.315 1.00 12.43 H new ATOM 1703 N ASP A 113 17.473 -94.468 -18.086 1.00 71.41 N ATOM 1704 CA ASP A 113 18.076 -93.956 -19.318 1.00 61.45 C ATOM 1705 C ASP A 113 17.741 -92.475 -19.472 1.00 54.52 C ATOM 1706 O ASP A 113 16.586 -92.075 -19.300 1.00 71.24 O ATOM 1707 CB ASP A 113 17.574 -94.740 -20.539 1.00 13.55 C ATOM 1708 CG ASP A 113 18.152 -94.218 -21.849 1.00 74.32 C ATOM 1709 OD1 ASP A 113 19.381 -94.335 -22.052 1.00 52.52 O ATOM 1710 OD2 ASP A 113 17.382 -93.687 -22.682 1.00 41.05 O ATOM 0 H ASP A 113 16.557 -94.898 -18.213 1.00 71.41 H new ATOM 0 HA ASP A 113 19.157 -94.080 -19.256 1.00 61.45 H new ATOM 0 HB2 ASP A 113 17.837 -95.792 -20.424 1.00 13.55 H new ATOM 0 HB3 ASP A 113 16.486 -94.686 -20.579 1.00 13.55 H new ATOM 1715 N ALA A 114 18.749 -91.669 -19.788 1.00 61.52 N ATOM 1716 CA ALA A 114 18.591 -90.216 -19.869 1.00 14.04 C ATOM 1717 C ALA A 114 17.970 -89.778 -21.199 1.00 42.21 C ATOM 1718 O ALA A 114 18.209 -90.394 -22.239 1.00 32.43 O ATOM 1719 CB ALA A 114 19.939 -89.534 -19.675 1.00 51.25 C ATOM 0 H ALA A 114 19.692 -91.998 -19.994 1.00 61.52 H new ATOM 0 HA ALA A 114 17.909 -89.916 -19.073 1.00 14.04 H new ATOM 0 HB1 ALA A 114 19.812 -88.453 -19.737 1.00 51.25 H new ATOM 0 HB2 ALA A 114 20.342 -89.797 -18.697 1.00 51.25 H new ATOM 0 HB3 ALA A 114 20.629 -89.863 -20.452 1.00 51.25 H new ATOM 1725 N ASP A 115 17.177 -88.705 -21.150 1.00 54.31 N ATOM 1726 CA ASP A 115 16.579 -88.111 -22.353 1.00 31.20 C ATOM 1727 C ASP A 115 17.027 -86.661 -22.510 1.00 74.33 C ATOM 1728 O ASP A 115 17.543 -86.269 -23.559 1.00 33.11 O ATOM 1729 CB ASP A 115 15.041 -88.162 -22.307 1.00 63.02 C ATOM 1730 CG ASP A 115 14.474 -89.560 -22.490 1.00 34.15 C ATOM 1731 OD1 ASP A 115 14.301 -89.993 -23.651 1.00 60.54 O ATOM 1732 OD2 ASP A 115 14.179 -90.228 -21.474 1.00 71.54 O ATOM 0 H ASP A 115 16.931 -88.225 -20.284 1.00 54.31 H new ATOM 0 HA ASP A 115 16.920 -88.698 -23.206 1.00 31.20 H new ATOM 0 HB2 ASP A 115 14.701 -87.763 -21.351 1.00 63.02 H new ATOM 0 HB3 ASP A 115 14.641 -87.512 -23.085 1.00 63.02 H new ATOM 1737 N GLY A 116 16.830 -85.869 -21.459 1.00 25.12 N ATOM 1738 CA GLY A 116 17.172 -84.459 -21.506 1.00 51.02 C ATOM 1739 C GLY A 116 16.302 -83.618 -20.587 1.00 52.42 C ATOM 1740 O GLY A 116 15.138 -83.951 -20.330 1.00 24.24 O ATOM 0 H GLY A 116 16.437 -86.182 -20.571 1.00 25.12 H new ATOM 0 HA2 GLY A 116 18.218 -84.333 -21.227 1.00 51.02 H new ATOM 0 HA3 GLY A 116 17.069 -84.098 -22.529 1.00 51.02 H new ATOM 1744 N PHE A 117 16.869 -82.533 -20.080 1.00 5.24 N ATOM 1745 CA PHE A 117 16.148 -81.619 -19.199 1.00 2.31 C ATOM 1746 C PHE A 117 15.515 -80.498 -20.022 1.00 32.41 C ATOM 1747 O PHE A 117 16.229 -79.669 -20.589 1.00 0.02 O ATOM 1748 CB PHE A 117 17.109 -81.014 -18.161 1.00 64.33 C ATOM 1749 CG PHE A 117 17.811 -82.032 -17.294 1.00 64.31 C ATOM 1750 CD1 PHE A 117 18.846 -82.804 -17.803 1.00 52.42 C ATOM 1751 CD2 PHE A 117 17.441 -82.210 -15.969 1.00 54.12 C ATOM 1752 CE1 PHE A 117 19.490 -83.732 -17.009 1.00 24.34 C ATOM 1753 CE2 PHE A 117 18.083 -83.137 -15.171 1.00 3.23 C ATOM 1754 CZ PHE A 117 19.109 -83.898 -15.691 1.00 43.44 C ATOM 0 H PHE A 117 17.834 -82.261 -20.264 1.00 5.24 H new ATOM 0 HA PHE A 117 15.367 -82.175 -18.680 1.00 2.31 H new ATOM 0 HB2 PHE A 117 17.859 -80.419 -18.682 1.00 64.33 H new ATOM 0 HB3 PHE A 117 16.550 -80.332 -17.520 1.00 64.33 H new ATOM 0 HD1 PHE A 117 19.151 -82.677 -18.831 1.00 52.42 H new ATOM 0 HD2 PHE A 117 16.640 -81.616 -15.555 1.00 54.12 H new ATOM 0 HE1 PHE A 117 20.292 -84.329 -17.418 1.00 24.34 H new ATOM 0 HE2 PHE A 117 17.782 -83.266 -14.142 1.00 3.23 H new ATOM 0 HZ PHE A 117 19.614 -84.622 -15.069 1.00 43.44 H new ATOM 1764 N GLU A 118 14.183 -80.469 -20.091 1.00 33.04 N ATOM 1765 CA GLU A 118 13.485 -79.423 -20.829 1.00 23.02 C ATOM 1766 C GLU A 118 12.046 -79.302 -20.343 1.00 63.02 C ATOM 1767 O GLU A 118 11.316 -80.288 -20.291 1.00 13.12 O ATOM 1768 CB GLU A 118 13.516 -79.708 -22.342 1.00 70.42 C ATOM 1769 CG GLU A 118 12.783 -80.981 -22.758 1.00 51.04 C ATOM 1770 CD GLU A 118 12.872 -81.247 -24.252 1.00 53.34 C ATOM 1771 OE1 GLU A 118 12.143 -80.593 -25.028 1.00 62.15 O ATOM 1772 OE2 GLU A 118 13.674 -82.112 -24.659 1.00 71.34 O ATOM 0 H GLU A 118 13.572 -81.154 -19.647 1.00 33.04 H new ATOM 0 HA GLU A 118 13.997 -78.478 -20.648 1.00 23.02 H new ATOM 0 HB2 GLU A 118 13.076 -78.861 -22.868 1.00 70.42 H new ATOM 0 HB3 GLU A 118 14.555 -79.779 -22.665 1.00 70.42 H new ATOM 0 HG2 GLU A 118 13.201 -81.830 -22.216 1.00 51.04 H new ATOM 0 HG3 GLU A 118 11.735 -80.903 -22.469 1.00 51.04 H new ATOM 1779 N ILE A 119 11.637 -78.100 -19.968 1.00 14.51 N ATOM 1780 CA ILE A 119 10.261 -77.883 -19.548 1.00 51.30 C ATOM 1781 C ILE A 119 9.336 -78.078 -20.743 1.00 62.21 C ATOM 1782 O ILE A 119 9.008 -77.131 -21.462 1.00 44.42 O ATOM 1783 CB ILE A 119 10.073 -76.475 -18.934 1.00 2.53 C ATOM 1784 CG1 ILE A 119 11.066 -76.275 -17.775 1.00 24.02 C ATOM 1785 CG2 ILE A 119 8.632 -76.273 -18.457 1.00 53.12 C ATOM 1786 CD1 ILE A 119 11.007 -77.368 -16.724 1.00 71.13 C ATOM 0 H ILE A 119 12.229 -77.270 -19.946 1.00 14.51 H new ATOM 0 HA ILE A 119 10.012 -78.608 -18.773 1.00 51.30 H new ATOM 0 HB ILE A 119 10.274 -75.729 -19.703 1.00 2.53 H new ATOM 0 HG12 ILE A 119 12.077 -76.226 -18.179 1.00 24.02 H new ATOM 0 HG13 ILE A 119 10.866 -75.315 -17.299 1.00 24.02 H new ATOM 0 HG21 ILE A 119 8.527 -75.276 -18.030 1.00 53.12 H new ATOM 0 HG22 ILE A 119 7.951 -76.380 -19.301 1.00 53.12 H new ATOM 0 HG23 ILE A 119 8.391 -77.019 -17.700 1.00 53.12 H new ATOM 0 HD11 ILE A 119 11.735 -77.159 -15.940 1.00 71.13 H new ATOM 0 HD12 ILE A 119 10.007 -77.403 -16.291 1.00 71.13 H new ATOM 0 HD13 ILE A 119 11.237 -78.329 -17.185 1.00 71.13 H new ATOM 1798 N ARG A 120 8.967 -79.333 -20.960 1.00 2.03 N ATOM 1799 CA ARG A 120 8.172 -79.744 -22.098 1.00 61.44 C ATOM 1800 C ARG A 120 6.689 -79.670 -21.760 1.00 32.31 C ATOM 1801 O ARG A 120 6.249 -80.260 -20.775 1.00 1.25 O ATOM 1802 CB ARG A 120 8.554 -81.184 -22.464 1.00 4.12 C ATOM 1803 CG ARG A 120 8.390 -81.504 -23.935 1.00 2.23 C ATOM 1804 CD ARG A 120 8.743 -82.955 -24.242 1.00 30.01 C ATOM 1805 NE ARG A 120 8.519 -83.275 -25.650 1.00 3.51 N ATOM 1806 CZ ARG A 120 8.332 -84.506 -26.124 1.00 12.41 C ATOM 1807 NH1 ARG A 120 8.410 -85.559 -25.318 1.00 3.32 N ATOM 1808 NH2 ARG A 120 8.098 -84.679 -27.415 1.00 2.32 N ATOM 0 H ARG A 120 9.218 -80.102 -20.338 1.00 2.03 H new ATOM 0 HA ARG A 120 8.364 -79.080 -22.941 1.00 61.44 H new ATOM 0 HB2 ARG A 120 9.591 -81.359 -22.177 1.00 4.12 H new ATOM 0 HB3 ARG A 120 7.941 -81.872 -21.881 1.00 4.12 H new ATOM 0 HG2 ARG A 120 7.361 -81.309 -24.237 1.00 2.23 H new ATOM 0 HG3 ARG A 120 9.026 -80.843 -24.524 1.00 2.23 H new ATOM 0 HD2 ARG A 120 9.787 -83.138 -23.988 1.00 30.01 H new ATOM 0 HD3 ARG A 120 8.142 -83.616 -23.618 1.00 30.01 H new ATOM 0 HE ARG A 120 8.505 -82.503 -26.316 1.00 3.51 H new ATOM 0 HH11 ARG A 120 8.615 -85.429 -24.327 1.00 3.32 H new ATOM 0 HH12 ARG A 120 8.265 -86.498 -25.690 1.00 3.32 H new ATOM 0 HH21 ARG A 120 8.062 -83.873 -28.039 1.00 2.32 H new ATOM 0 HH22 ARG A 120 7.954 -85.618 -27.786 1.00 2.32 H new ATOM 1822 N ARG A 121 5.927 -78.940 -22.563 1.00 14.01 N ATOM 1823 CA ARG A 121 4.485 -78.845 -22.377 1.00 75.33 C ATOM 1824 C ARG A 121 3.773 -79.400 -23.606 1.00 64.21 C ATOM 1825 O ARG A 121 3.751 -78.712 -24.648 1.00 51.44 O ATOM 1826 CB ARG A 121 4.066 -77.395 -22.099 1.00 72.42 C ATOM 1827 CG ARG A 121 4.561 -76.872 -20.755 1.00 14.51 C ATOM 1828 CD ARG A 121 4.060 -75.465 -20.465 1.00 12.45 C ATOM 1829 NE ARG A 121 4.516 -74.986 -19.156 1.00 4.53 N ATOM 1830 CZ ARG A 121 4.406 -73.724 -18.743 1.00 42.14 C ATOM 1831 NH1 ARG A 121 3.824 -72.819 -19.516 1.00 1.44 N ATOM 1832 NH2 ARG A 121 4.872 -73.373 -17.551 1.00 65.01 N ATOM 1833 OXT ARG A 121 3.269 -80.540 -23.536 1.00 0.00 O ATOM 0 H ARG A 121 6.285 -78.403 -23.353 1.00 14.01 H new ATOM 0 HA ARG A 121 4.197 -79.439 -21.510 1.00 75.33 H new ATOM 0 HB2 ARG A 121 4.449 -76.755 -22.894 1.00 72.42 H new ATOM 0 HB3 ARG A 121 2.979 -77.326 -22.130 1.00 72.42 H new ATOM 0 HG2 ARG A 121 4.231 -77.544 -19.962 1.00 14.51 H new ATOM 0 HG3 ARG A 121 5.651 -76.877 -20.744 1.00 14.51 H new ATOM 0 HD2 ARG A 121 4.410 -74.786 -21.243 1.00 12.45 H new ATOM 0 HD3 ARG A 121 2.971 -75.453 -20.498 1.00 12.45 H new ATOM 0 HE ARG A 121 4.944 -75.661 -18.522 1.00 4.53 H new ATOM 0 HH11 ARG A 121 3.459 -73.088 -20.430 1.00 1.44 H new ATOM 0 HH12 ARG A 121 3.741 -71.854 -19.197 1.00 1.44 H new ATOM 0 HH21 ARG A 121 5.314 -74.069 -16.951 1.00 65.01 H new ATOM 0 HH22 ARG A 121 4.788 -72.407 -17.235 1.00 65.01 H new