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 107 HIS : no HD1:sc= -0.39 K(o=-0.63,f=0.87) USER MOD Set 1.2: A 109 SER OG : rot 180:sc= -0.243 USER MOD Set 2.1: A 69 ASN : amide:sc= 0.985 K(o=2.8,f=-6.5!) USER MOD Set 2.2: A 75 SER OG : rot 123:sc= 1.86 USER MOD Set 3.1: A 53 THR OG1 : rot 84:sc= 1.1 USER MOD Set 3.2: A 91 TYR OH : rot -71:sc= 1.58 USER MOD Single : A 34 THR OG1 : rot -100:sc= -0.793 USER MOD Single : A 35 THR OG1 : rot 110:sc= -0.291 USER MOD Single : A 37 CYS SG : rot 21:sc= 0.934 USER MOD Single : A 38 TYR OH : rot 110:sc= -1.26 USER MOD Single : A 41 THR OG1 : rot 180:sc= -1.08 USER MOD Single : A 51 LYS NZ :NH3+ 157:sc= -0.0996 (180deg=-0.589) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0381) USER MOD Single : A 61 SER OG : rot -43:sc= 0.724 USER MOD Single : A 65 TYR OH : rot 30:sc= 0 USER MOD Single : A 67 THR OG1 : rot 147:sc= -2.23! USER MOD Single : A 68 ASN : amide:sc= -0.484 X(o=-0.48,f=-0.44) USER MOD Single : A 73 SER OG : rot 130:sc= -1.6! USER MOD Single : A 79 GLN : amide:sc= -2.48! C(o=-2.5!,f=-3.8!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -1.97 K(o=-2,f=-4.4) USER MOD Single : A 90 LYS NZ :NH3+ -153:sc= 0.605 (180deg=0.109) USER MOD Single : A 93 HIS : no HD1:sc= -0.923 X(o=-0.92,f=-0.95) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 59:sc= -0.691! USER MOD Single : A 98 LYS NZ :NH3+ -170:sc= -0.0276 (180deg=-0.172) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 168:sc= -0.0432 (180deg=-0.245) USER MOD Single : A 103 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0144) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0.0101 USER MOD ----------------------------------------------------------------- ATOM 450 N VAL A 33 25.828 -94.664 -8.889 1.00 64.33 N ATOM 451 CA VAL A 33 25.299 -93.604 -9.738 1.00 3.41 C ATOM 452 C VAL A 33 23.968 -93.169 -9.162 1.00 52.31 C ATOM 453 O VAL A 33 22.930 -93.782 -9.423 1.00 55.05 O ATOM 454 CB VAL A 33 25.093 -94.044 -11.203 1.00 32.24 C ATOM 455 CG1 VAL A 33 24.608 -92.872 -12.060 1.00 21.34 C ATOM 456 CG2 VAL A 33 26.371 -94.645 -11.782 1.00 54.35 C ATOM 0 HA VAL A 33 26.026 -92.792 -9.753 1.00 3.41 H new ATOM 0 HB VAL A 33 24.324 -94.816 -11.215 1.00 32.24 H new ATOM 0 HG11 VAL A 33 24.470 -93.206 -13.088 1.00 21.34 H new ATOM 0 HG12 VAL A 33 23.660 -92.502 -11.668 1.00 21.34 H new ATOM 0 HG13 VAL A 33 25.348 -92.072 -12.035 1.00 21.34 H new ATOM 0 HG21 VAL A 33 26.196 -94.946 -12.815 1.00 54.35 H new ATOM 0 HG22 VAL A 33 27.169 -93.903 -11.750 1.00 54.35 H new ATOM 0 HG23 VAL A 33 26.662 -95.516 -11.195 1.00 54.35 H new ATOM 466 N THR A 34 24.001 -92.100 -8.401 1.00 32.15 N ATOM 467 CA THR A 34 22.874 -91.714 -7.577 1.00 71.11 C ATOM 468 C THR A 34 21.788 -91.087 -8.431 1.00 2.24 C ATOM 469 O THR A 34 21.964 -90.007 -9.003 1.00 60.35 O ATOM 470 CB THR A 34 23.307 -90.732 -6.472 1.00 3.00 C ATOM 471 OG1 THR A 34 24.376 -91.311 -5.706 1.00 50.55 O ATOM 472 CG2 THR A 34 22.144 -90.384 -5.546 1.00 1.10 C ATOM 0 H THR A 34 24.804 -91.475 -8.334 1.00 32.15 H new ATOM 0 HA THR A 34 22.481 -92.613 -7.102 1.00 71.11 H new ATOM 0 HB THR A 34 23.645 -89.813 -6.950 1.00 3.00 H new ATOM 0 HG1 THR A 34 24.018 -91.680 -4.872 1.00 50.55 H new ATOM 0 HG21 THR A 34 22.485 -89.689 -4.778 1.00 1.10 H new ATOM 0 HG22 THR A 34 21.344 -89.921 -6.124 1.00 1.10 H new ATOM 0 HG23 THR A 34 21.771 -91.292 -5.073 1.00 1.10 H new ATOM 480 N THR A 35 20.685 -91.799 -8.541 1.00 71.32 N ATOM 481 CA THR A 35 19.563 -91.372 -9.342 1.00 44.34 C ATOM 482 C THR A 35 18.364 -91.102 -8.449 1.00 64.43 C ATOM 483 O THR A 35 18.061 -91.889 -7.550 1.00 74.11 O ATOM 484 CB THR A 35 19.216 -92.451 -10.384 1.00 51.43 C ATOM 485 OG1 THR A 35 20.380 -92.740 -11.176 1.00 13.30 O ATOM 486 CG2 THR A 35 18.067 -92.014 -11.287 1.00 62.32 C ATOM 0 H THR A 35 20.544 -92.695 -8.074 1.00 71.32 H new ATOM 0 HA THR A 35 19.829 -90.453 -9.865 1.00 44.34 H new ATOM 0 HB THR A 35 18.895 -93.347 -9.853 1.00 51.43 H new ATOM 0 HG1 THR A 35 20.711 -93.636 -10.957 1.00 13.30 H new ATOM 0 HG21 THR A 35 17.852 -92.802 -12.009 1.00 62.32 H new ATOM 0 HG22 THR A 35 17.181 -91.824 -10.682 1.00 62.32 H new ATOM 0 HG23 THR A 35 18.347 -91.103 -11.817 1.00 62.32 H new ATOM 494 N LEU A 36 17.710 -89.973 -8.679 1.00 13.40 N ATOM 495 CA LEU A 36 16.533 -89.588 -7.915 1.00 32.23 C ATOM 496 C LEU A 36 15.497 -88.981 -8.849 1.00 30.20 C ATOM 497 O LEU A 36 15.821 -88.127 -9.678 1.00 35.32 O ATOM 498 CB LEU A 36 16.906 -88.583 -6.810 1.00 70.33 C ATOM 499 CG LEU A 36 17.799 -89.130 -5.680 1.00 3.23 C ATOM 500 CD1 LEU A 36 18.176 -88.016 -4.705 1.00 10.31 C ATOM 501 CD2 LEU A 36 17.101 -90.279 -4.950 1.00 4.14 C ATOM 0 H LEU A 36 17.979 -89.301 -9.397 1.00 13.40 H new ATOM 0 HA LEU A 36 16.116 -90.476 -7.440 1.00 32.23 H new ATOM 0 HB2 LEU A 36 17.414 -87.736 -7.272 1.00 70.33 H new ATOM 0 HB3 LEU A 36 15.986 -88.200 -6.368 1.00 70.33 H new ATOM 0 HG LEU A 36 18.716 -89.517 -6.124 1.00 3.23 H new ATOM 0 HD11 LEU A 36 18.807 -88.422 -3.914 1.00 10.31 H new ATOM 0 HD12 LEU A 36 18.719 -87.235 -5.237 1.00 10.31 H new ATOM 0 HD13 LEU A 36 17.271 -87.594 -4.267 1.00 10.31 H new ATOM 0 HD21 LEU A 36 17.748 -90.652 -4.156 1.00 4.14 H new ATOM 0 HD22 LEU A 36 16.166 -89.921 -4.519 1.00 4.14 H new ATOM 0 HD23 LEU A 36 16.891 -91.084 -5.655 1.00 4.14 H new ATOM 513 N CYS A 37 14.258 -89.430 -8.728 1.00 71.23 N ATOM 514 CA CYS A 37 13.174 -88.891 -9.541 1.00 40.31 C ATOM 515 C CYS A 37 12.567 -87.679 -8.839 1.00 32.44 C ATOM 516 O CYS A 37 12.287 -87.722 -7.640 1.00 34.41 O ATOM 517 CB CYS A 37 12.107 -89.961 -9.797 1.00 1.21 C ATOM 518 SG CYS A 37 10.760 -89.438 -10.891 1.00 21.43 S ATOM 0 H CYS A 37 13.976 -90.164 -8.078 1.00 71.23 H new ATOM 0 HA CYS A 37 13.572 -88.580 -10.507 1.00 40.31 H new ATOM 0 HB2 CYS A 37 12.588 -90.839 -10.229 1.00 1.21 H new ATOM 0 HB3 CYS A 37 11.683 -90.268 -8.841 1.00 1.21 H new ATOM 0 HG CYS A 37 11.152 -88.429 -11.610 1.00 21.43 H new ATOM 524 N TYR A 38 12.358 -86.610 -9.591 1.00 44.52 N ATOM 525 CA TYR A 38 11.874 -85.348 -9.039 1.00 13.14 C ATOM 526 C TYR A 38 10.459 -85.055 -9.513 1.00 33.50 C ATOM 527 O TYR A 38 10.061 -85.455 -10.609 1.00 34.40 O ATOM 528 CB TYR A 38 12.789 -84.188 -9.467 1.00 2.52 C ATOM 529 CG TYR A 38 14.086 -84.072 -8.684 1.00 51.01 C ATOM 530 CD1 TYR A 38 14.988 -85.126 -8.615 1.00 5.21 C ATOM 531 CD2 TYR A 38 14.407 -82.894 -8.016 1.00 74.21 C ATOM 532 CE1 TYR A 38 16.167 -85.009 -7.905 1.00 42.41 C ATOM 533 CE2 TYR A 38 15.586 -82.771 -7.307 1.00 41.03 C ATOM 534 CZ TYR A 38 16.462 -83.831 -7.256 1.00 0.42 C ATOM 535 OH TYR A 38 17.638 -83.715 -6.552 1.00 72.24 O ATOM 0 H TYR A 38 12.518 -86.589 -10.598 1.00 44.52 H new ATOM 0 HA TYR A 38 11.879 -85.440 -7.953 1.00 13.14 H new ATOM 0 HB2 TYR A 38 13.029 -84.305 -10.524 1.00 2.52 H new ATOM 0 HB3 TYR A 38 12.237 -83.253 -9.367 1.00 2.52 H new ATOM 0 HD1 TYR A 38 14.764 -86.052 -9.124 1.00 5.21 H new ATOM 0 HD2 TYR A 38 13.721 -82.060 -8.053 1.00 74.21 H new ATOM 0 HE1 TYR A 38 16.856 -85.840 -7.859 1.00 42.41 H new ATOM 0 HE2 TYR A 38 15.819 -81.849 -6.796 1.00 41.03 H new ATOM 0 HH TYR A 38 18.240 -83.099 -7.019 1.00 72.24 H new ATOM 545 N ARG A 39 9.708 -84.377 -8.660 1.00 41.31 N ATOM 546 CA ARG A 39 8.398 -83.843 -9.004 1.00 13.40 C ATOM 547 C ARG A 39 8.127 -82.606 -8.159 1.00 14.02 C ATOM 548 O ARG A 39 8.025 -82.693 -6.933 1.00 25.40 O ATOM 549 CB ARG A 39 7.280 -84.887 -8.802 1.00 74.33 C ATOM 550 CG ARG A 39 5.881 -84.269 -8.733 1.00 12.21 C ATOM 551 CD ARG A 39 4.763 -85.302 -8.862 1.00 54.31 C ATOM 552 NE ARG A 39 4.377 -85.522 -10.263 1.00 25.32 N ATOM 553 CZ ARG A 39 3.107 -85.605 -10.687 1.00 14.22 C ATOM 554 NH1 ARG A 39 2.104 -85.502 -9.821 1.00 32.13 N ATOM 555 NH2 ARG A 39 2.844 -85.775 -11.978 1.00 64.21 N ATOM 0 H ARG A 39 9.992 -84.180 -7.701 1.00 41.31 H new ATOM 0 HA ARG A 39 8.401 -83.578 -10.061 1.00 13.40 H new ATOM 0 HB2 ARG A 39 7.312 -85.607 -9.620 1.00 74.33 H new ATOM 0 HB3 ARG A 39 7.471 -85.441 -7.883 1.00 74.33 H new ATOM 0 HG2 ARG A 39 5.771 -83.739 -7.787 1.00 12.21 H new ATOM 0 HG3 ARG A 39 5.777 -83.529 -9.527 1.00 12.21 H new ATOM 0 HD2 ARG A 39 5.088 -86.245 -8.423 1.00 54.31 H new ATOM 0 HD3 ARG A 39 3.894 -84.969 -8.294 1.00 54.31 H new ATOM 0 HE ARG A 39 5.120 -85.617 -10.955 1.00 25.32 H new ATOM 0 HH11 ARG A 39 2.299 -85.359 -8.830 1.00 32.13 H new ATOM 0 HH12 ARG A 39 1.140 -85.566 -10.147 1.00 32.13 H new ATOM 0 HH21 ARG A 39 3.609 -85.843 -12.650 1.00 64.21 H new ATOM 0 HH22 ARG A 39 1.877 -85.838 -12.298 1.00 64.21 H new ATOM 569 N VAL A 40 8.051 -81.453 -8.809 1.00 72.34 N ATOM 570 CA VAL A 40 7.725 -80.213 -8.118 1.00 72.44 C ATOM 571 C VAL A 40 6.407 -79.667 -8.652 1.00 70.43 C ATOM 572 O VAL A 40 6.155 -79.685 -9.858 1.00 61.43 O ATOM 573 CB VAL A 40 8.845 -79.141 -8.266 1.00 33.24 C ATOM 574 CG1 VAL A 40 8.813 -78.475 -9.642 1.00 32.30 C ATOM 575 CG2 VAL A 40 8.741 -78.096 -7.155 1.00 22.25 C ATOM 0 H VAL A 40 8.210 -81.350 -9.811 1.00 72.34 H new ATOM 0 HA VAL A 40 7.635 -80.439 -7.055 1.00 72.44 H new ATOM 0 HB VAL A 40 9.803 -79.652 -8.173 1.00 33.24 H new ATOM 0 HG11 VAL A 40 9.609 -77.734 -9.706 1.00 32.30 H new ATOM 0 HG12 VAL A 40 8.957 -79.230 -10.415 1.00 32.30 H new ATOM 0 HG13 VAL A 40 7.850 -77.986 -9.787 1.00 32.30 H new ATOM 0 HG21 VAL A 40 9.532 -77.356 -7.276 1.00 22.25 H new ATOM 0 HG22 VAL A 40 7.771 -77.602 -7.210 1.00 22.25 H new ATOM 0 HG23 VAL A 40 8.846 -78.584 -6.186 1.00 22.25 H new ATOM 585 N THR A 41 5.560 -79.225 -7.750 1.00 2.24 N ATOM 586 CA THR A 41 4.287 -78.633 -8.108 1.00 62.42 C ATOM 587 C THR A 41 4.380 -77.116 -7.985 1.00 74.20 C ATOM 588 O THR A 41 5.167 -76.607 -7.184 1.00 2.33 O ATOM 589 CB THR A 41 3.160 -79.176 -7.198 1.00 55.34 C ATOM 590 OG1 THR A 41 3.569 -79.119 -5.823 1.00 61.12 O ATOM 591 CG2 THR A 41 2.801 -80.615 -7.555 1.00 64.10 C ATOM 0 H THR A 41 5.733 -79.265 -6.746 1.00 2.24 H new ATOM 0 HA THR A 41 4.050 -78.898 -9.138 1.00 62.42 H new ATOM 0 HB THR A 41 2.280 -78.551 -7.351 1.00 55.34 H new ATOM 0 HG1 THR A 41 2.850 -79.463 -5.253 1.00 61.12 H new ATOM 0 HG21 THR A 41 2.006 -80.966 -6.897 1.00 64.10 H new ATOM 0 HG22 THR A 41 2.461 -80.659 -8.590 1.00 64.10 H new ATOM 0 HG23 THR A 41 3.679 -81.250 -7.434 1.00 64.10 H new ATOM 599 N GLY A 42 3.602 -76.399 -8.787 1.00 41.40 N ATOM 600 CA GLY A 42 3.608 -74.947 -8.734 1.00 24.42 C ATOM 601 C GLY A 42 2.344 -74.401 -8.103 1.00 40.24 C ATOM 602 O GLY A 42 1.314 -75.078 -8.086 1.00 32.35 O ATOM 0 H GLY A 42 2.964 -76.798 -9.476 1.00 41.40 H new ATOM 0 HA2 GLY A 42 4.474 -74.608 -8.165 1.00 24.42 H new ATOM 0 HA3 GLY A 42 3.713 -74.547 -9.743 1.00 24.42 H new ATOM 684 N PHE A 48 8.369 -73.783 -15.048 1.00 44.21 N ATOM 685 CA PHE A 48 9.703 -73.952 -14.475 1.00 43.23 C ATOM 686 C PHE A 48 10.782 -73.478 -15.456 1.00 63.04 C ATOM 687 O PHE A 48 10.726 -73.782 -16.652 1.00 45.54 O ATOM 688 CB PHE A 48 9.905 -75.429 -14.110 1.00 61.12 C ATOM 689 CG PHE A 48 11.005 -75.695 -13.112 1.00 53.24 C ATOM 690 CD1 PHE A 48 10.876 -75.270 -11.796 1.00 42.11 C ATOM 691 CD2 PHE A 48 12.153 -76.383 -13.478 1.00 54.45 C ATOM 692 CE1 PHE A 48 11.868 -75.525 -10.869 1.00 23.41 C ATOM 693 CE2 PHE A 48 13.145 -76.642 -12.551 1.00 23.53 C ATOM 694 CZ PHE A 48 13.005 -76.212 -11.247 1.00 52.33 C ATOM 0 HA PHE A 48 9.791 -73.343 -13.575 1.00 43.23 H new ATOM 0 HB2 PHE A 48 8.970 -75.820 -13.710 1.00 61.12 H new ATOM 0 HB3 PHE A 48 10.119 -75.987 -15.022 1.00 61.12 H new ATOM 0 HD1 PHE A 48 9.989 -74.733 -11.494 1.00 42.11 H new ATOM 0 HD2 PHE A 48 12.273 -76.719 -14.497 1.00 54.45 H new ATOM 0 HE1 PHE A 48 11.755 -75.187 -9.849 1.00 23.41 H new ATOM 0 HE2 PHE A 48 14.032 -77.182 -12.848 1.00 23.53 H new ATOM 0 HZ PHE A 48 13.782 -76.412 -10.524 1.00 52.33 H new ATOM 704 N PHE A 49 11.749 -72.721 -14.940 1.00 15.34 N ATOM 705 CA PHE A 49 12.837 -72.165 -15.751 1.00 4.40 C ATOM 706 C PHE A 49 13.759 -73.254 -16.329 1.00 62.32 C ATOM 707 O PHE A 49 14.827 -73.574 -15.775 1.00 1.00 O ATOM 708 CB PHE A 49 13.637 -71.100 -14.966 1.00 33.40 C ATOM 709 CG PHE A 49 14.099 -71.472 -13.562 1.00 61.25 C ATOM 710 CD1 PHE A 49 13.677 -72.634 -12.924 1.00 61.52 C ATOM 711 CD2 PHE A 49 14.960 -70.625 -12.875 1.00 2.54 C ATOM 712 CE1 PHE A 49 14.103 -72.936 -11.645 1.00 52.45 C ATOM 713 CE2 PHE A 49 15.386 -70.925 -11.596 1.00 70.11 C ATOM 714 CZ PHE A 49 14.957 -72.081 -10.980 1.00 63.23 C ATOM 0 H PHE A 49 11.803 -72.475 -13.952 1.00 15.34 H new ATOM 0 HA PHE A 49 12.371 -71.670 -16.603 1.00 4.40 H new ATOM 0 HB2 PHE A 49 14.517 -70.838 -15.553 1.00 33.40 H new ATOM 0 HB3 PHE A 49 13.023 -70.202 -14.893 1.00 33.40 H new ATOM 0 HD1 PHE A 49 13.007 -73.309 -13.436 1.00 61.52 H new ATOM 0 HD2 PHE A 49 15.302 -69.717 -13.349 1.00 2.54 H new ATOM 0 HE1 PHE A 49 13.767 -73.843 -11.165 1.00 52.45 H new ATOM 0 HE2 PHE A 49 16.055 -70.254 -11.078 1.00 70.11 H new ATOM 0 HZ PHE A 49 15.289 -72.317 -9.980 1.00 63.23 H new ATOM 724 N ARG A 50 13.321 -73.797 -17.469 1.00 20.24 N ATOM 725 CA ARG A 50 14.027 -74.860 -18.189 1.00 11.11 C ATOM 726 C ARG A 50 15.495 -74.501 -18.450 1.00 62.02 C ATOM 727 O ARG A 50 16.377 -75.362 -18.360 1.00 13.04 O ATOM 728 CB ARG A 50 13.330 -75.136 -19.534 1.00 4.24 C ATOM 729 CG ARG A 50 13.268 -73.909 -20.446 1.00 63.42 C ATOM 730 CD ARG A 50 12.863 -74.251 -21.875 1.00 31.41 C ATOM 731 NE ARG A 50 11.492 -74.758 -21.978 1.00 52.04 N ATOM 732 CZ ARG A 50 10.442 -74.019 -22.349 1.00 22.45 C ATOM 733 NH1 ARG A 50 10.563 -72.707 -22.505 1.00 12.14 N ATOM 734 NH2 ARG A 50 9.266 -74.596 -22.543 1.00 70.43 N ATOM 0 H ARG A 50 12.455 -73.507 -17.923 1.00 20.24 H new ATOM 0 HA ARG A 50 14.001 -75.749 -17.559 1.00 11.11 H new ATOM 0 HB2 ARG A 50 13.857 -75.938 -20.051 1.00 4.24 H new ATOM 0 HB3 ARG A 50 12.317 -75.491 -19.344 1.00 4.24 H new ATOM 0 HG2 ARG A 50 12.558 -73.192 -20.034 1.00 63.42 H new ATOM 0 HG3 ARG A 50 14.243 -73.421 -20.457 1.00 63.42 H new ATOM 0 HD2 ARG A 50 12.963 -73.362 -22.497 1.00 31.41 H new ATOM 0 HD3 ARG A 50 13.551 -74.997 -22.273 1.00 31.41 H new ATOM 0 HE ARG A 50 11.328 -75.739 -21.752 1.00 52.04 H new ATOM 0 HH11 ARG A 50 11.463 -72.255 -22.342 1.00 12.14 H new ATOM 0 HH12 ARG A 50 9.756 -72.151 -22.788 1.00 12.14 H new ATOM 0 HH21 ARG A 50 9.163 -75.602 -22.409 1.00 70.43 H new ATOM 0 HH22 ARG A 50 8.463 -74.034 -22.826 1.00 70.43 H new ATOM 748 N LYS A 51 15.745 -73.236 -18.788 1.00 31.42 N ATOM 749 CA LYS A 51 17.091 -72.778 -19.133 1.00 51.24 C ATOM 750 C LYS A 51 18.046 -72.956 -17.961 1.00 43.40 C ATOM 751 O LYS A 51 19.056 -73.652 -18.070 1.00 4.25 O ATOM 752 CB LYS A 51 17.071 -71.304 -19.566 1.00 42.54 C ATOM 753 CG LYS A 51 16.388 -71.053 -20.908 1.00 63.21 C ATOM 754 CD LYS A 51 17.063 -71.822 -22.043 1.00 2.41 C ATOM 755 CE LYS A 51 16.617 -71.314 -23.410 1.00 61.10 C ATOM 756 NZ LYS A 51 17.000 -69.892 -23.618 1.00 63.52 N ATOM 0 H LYS A 51 15.031 -72.509 -18.830 1.00 31.42 H new ATOM 0 HA LYS A 51 17.443 -73.387 -19.966 1.00 51.24 H new ATOM 0 HB2 LYS A 51 16.564 -70.719 -18.799 1.00 42.54 H new ATOM 0 HB3 LYS A 51 18.097 -70.939 -19.620 1.00 42.54 H new ATOM 0 HG2 LYS A 51 15.340 -71.347 -20.843 1.00 63.21 H new ATOM 0 HG3 LYS A 51 16.406 -69.986 -21.131 1.00 63.21 H new ATOM 0 HD2 LYS A 51 18.145 -71.727 -21.954 1.00 2.41 H new ATOM 0 HD3 LYS A 51 16.828 -72.883 -21.954 1.00 2.41 H new ATOM 0 HE2 LYS A 51 17.064 -71.930 -24.191 1.00 61.10 H new ATOM 0 HE3 LYS A 51 15.536 -71.417 -23.502 1.00 61.10 H new ATOM 0 HZ1 LYS A 51 17.047 -69.691 -24.637 1.00 63.52 H new ATOM 0 HZ2 LYS A 51 16.291 -69.273 -23.175 1.00 63.52 H new ATOM 0 HZ3 LYS A 51 17.930 -69.716 -23.187 1.00 63.52 H new ATOM 770 N TYR A 52 17.709 -72.339 -16.834 1.00 33.33 N ATOM 771 CA TYR A 52 18.559 -72.384 -15.655 1.00 52.21 C ATOM 772 C TYR A 52 18.650 -73.807 -15.116 1.00 31.13 C ATOM 773 O TYR A 52 19.673 -74.192 -14.548 1.00 33.12 O ATOM 774 CB TYR A 52 18.047 -71.418 -14.586 1.00 51.11 C ATOM 775 CG TYR A 52 18.053 -69.970 -15.047 1.00 65.03 C ATOM 776 CD1 TYR A 52 19.251 -69.285 -15.228 1.00 73.20 C ATOM 777 CD2 TYR A 52 16.869 -69.293 -15.317 1.00 31.11 C ATOM 778 CE1 TYR A 52 19.265 -67.973 -15.660 1.00 34.30 C ATOM 779 CE2 TYR A 52 16.876 -67.983 -15.753 1.00 52.05 C ATOM 780 CZ TYR A 52 18.075 -67.328 -15.922 1.00 23.30 C ATOM 781 OH TYR A 52 18.082 -66.025 -16.362 1.00 53.21 O ATOM 0 H TYR A 52 16.851 -71.801 -16.714 1.00 33.33 H new ATOM 0 HA TYR A 52 19.563 -72.068 -15.938 1.00 52.21 H new ATOM 0 HB2 TYR A 52 17.033 -71.700 -14.304 1.00 51.11 H new ATOM 0 HB3 TYR A 52 18.664 -71.512 -13.692 1.00 51.11 H new ATOM 0 HD1 TYR A 52 20.186 -69.788 -15.027 1.00 73.20 H new ATOM 0 HD2 TYR A 52 15.926 -69.802 -15.183 1.00 31.11 H new ATOM 0 HE1 TYR A 52 20.203 -67.455 -15.792 1.00 34.30 H new ATOM 0 HE2 TYR A 52 15.946 -67.475 -15.960 1.00 52.05 H new ATOM 0 HH TYR A 52 17.160 -65.721 -16.500 1.00 53.21 H new ATOM 791 N THR A 53 17.584 -74.591 -15.308 1.00 44.10 N ATOM 792 CA THR A 53 17.624 -76.014 -14.971 1.00 3.41 C ATOM 793 C THR A 53 18.753 -76.705 -15.740 1.00 73.23 C ATOM 794 O THR A 53 19.613 -77.385 -15.158 1.00 72.33 O ATOM 795 CB THR A 53 16.280 -76.708 -15.292 1.00 45.12 C ATOM 796 OG1 THR A 53 15.205 -75.990 -14.675 1.00 53.20 O ATOM 797 CG2 THR A 53 16.271 -78.155 -14.805 1.00 71.23 C ATOM 0 H THR A 53 16.695 -74.268 -15.690 1.00 44.10 H new ATOM 0 HA THR A 53 17.805 -76.097 -13.899 1.00 3.41 H new ATOM 0 HB THR A 53 16.152 -76.711 -16.375 1.00 45.12 H new ATOM 0 HG1 THR A 53 14.936 -75.245 -15.252 1.00 53.20 H new ATOM 0 HG21 THR A 53 15.312 -78.614 -15.046 1.00 71.23 H new ATOM 0 HG22 THR A 53 17.072 -78.709 -15.295 1.00 71.23 H new ATOM 0 HG23 THR A 53 16.422 -78.177 -13.726 1.00 71.23 H new ATOM 805 N LYS A 54 18.760 -76.489 -17.053 1.00 52.34 N ATOM 806 CA LYS A 54 19.762 -77.078 -17.925 1.00 30.44 C ATOM 807 C LYS A 54 21.144 -76.523 -17.597 1.00 3.54 C ATOM 808 O LYS A 54 22.139 -77.223 -17.712 1.00 44.10 O ATOM 809 CB LYS A 54 19.425 -76.801 -19.395 1.00 40.44 C ATOM 810 CG LYS A 54 20.392 -77.461 -20.377 1.00 35.45 C ATOM 811 CD LYS A 54 20.148 -77.016 -21.816 1.00 30.33 C ATOM 812 CE LYS A 54 21.129 -77.675 -22.779 1.00 3.15 C ATOM 813 NZ LYS A 54 20.939 -77.199 -24.172 1.00 23.31 N ATOM 0 H LYS A 54 18.076 -75.906 -17.535 1.00 52.34 H new ATOM 0 HA LYS A 54 19.766 -78.156 -17.762 1.00 30.44 H new ATOM 0 HB2 LYS A 54 18.414 -77.153 -19.600 1.00 40.44 H new ATOM 0 HB3 LYS A 54 19.427 -75.724 -19.563 1.00 40.44 H new ATOM 0 HG2 LYS A 54 21.416 -77.220 -20.093 1.00 35.45 H new ATOM 0 HG3 LYS A 54 20.290 -78.544 -20.312 1.00 35.45 H new ATOM 0 HD2 LYS A 54 19.128 -77.266 -22.107 1.00 30.33 H new ATOM 0 HD3 LYS A 54 20.243 -75.932 -21.884 1.00 30.33 H new ATOM 0 HE2 LYS A 54 22.149 -77.464 -22.459 1.00 3.15 H new ATOM 0 HE3 LYS A 54 21.001 -78.757 -22.744 1.00 3.15 H new ATOM 0 HZ1 LYS A 54 21.624 -77.670 -24.796 1.00 23.31 H new ATOM 0 HZ2 LYS A 54 19.973 -77.423 -24.487 1.00 23.31 H new ATOM 0 HZ3 LYS A 54 21.086 -76.170 -24.210 1.00 23.31 H new ATOM 827 N LYS A 55 21.195 -75.260 -17.183 1.00 61.15 N ATOM 828 CA LYS A 55 22.465 -74.610 -16.873 1.00 23.30 C ATOM 829 C LYS A 55 23.105 -75.247 -15.638 1.00 15.04 C ATOM 830 O LYS A 55 24.286 -75.594 -15.658 1.00 2.24 O ATOM 831 CB LYS A 55 22.265 -73.101 -16.666 1.00 11.43 C ATOM 832 CG LYS A 55 23.571 -72.320 -16.551 1.00 64.44 C ATOM 833 CD LYS A 55 23.328 -70.816 -16.499 1.00 65.33 C ATOM 834 CE LYS A 55 24.634 -70.030 -16.486 1.00 14.41 C ATOM 835 NZ LYS A 55 25.441 -70.293 -15.263 1.00 63.50 N ATOM 0 H LYS A 55 20.375 -74.668 -17.055 1.00 61.15 H new ATOM 0 HA LYS A 55 23.139 -74.750 -17.718 1.00 23.30 H new ATOM 0 HB2 LYS A 55 21.686 -72.702 -17.499 1.00 11.43 H new ATOM 0 HB3 LYS A 55 21.676 -72.942 -15.763 1.00 11.43 H new ATOM 0 HG2 LYS A 55 24.104 -72.633 -15.653 1.00 64.44 H new ATOM 0 HG3 LYS A 55 24.212 -72.556 -17.401 1.00 64.44 H new ATOM 0 HD2 LYS A 55 22.731 -70.515 -17.360 1.00 65.33 H new ATOM 0 HD3 LYS A 55 22.749 -70.572 -15.609 1.00 65.33 H new ATOM 0 HE2 LYS A 55 25.220 -70.289 -17.368 1.00 14.41 H new ATOM 0 HE3 LYS A 55 24.414 -68.964 -16.551 1.00 14.41 H new ATOM 0 HZ1 LYS A 55 26.277 -69.674 -15.259 1.00 63.50 H new ATOM 0 HZ2 LYS A 55 24.864 -70.102 -14.419 1.00 63.50 H new ATOM 0 HZ3 LYS A 55 25.746 -71.287 -15.256 1.00 63.50 H new ATOM 849 N GLU A 56 22.312 -75.410 -14.577 1.00 61.35 N ATOM 850 CA GLU A 56 22.762 -76.093 -13.358 1.00 4.44 C ATOM 851 C GLU A 56 23.248 -77.502 -13.708 1.00 34.44 C ATOM 852 O GLU A 56 24.390 -77.888 -13.402 1.00 61.15 O ATOM 853 CB GLU A 56 21.599 -76.170 -12.351 1.00 12.34 C ATOM 854 CG GLU A 56 21.933 -76.865 -11.025 1.00 53.51 C ATOM 855 CD GLU A 56 22.747 -76.000 -10.065 1.00 25.14 C ATOM 856 OE1 GLU A 56 22.326 -74.858 -9.781 1.00 24.04 O ATOM 857 OE2 GLU A 56 23.793 -76.460 -9.561 1.00 63.10 O ATOM 0 H GLU A 56 21.349 -75.077 -14.536 1.00 61.35 H new ATOM 0 HA GLU A 56 23.584 -75.535 -12.910 1.00 4.44 H new ATOM 0 HB2 GLU A 56 21.256 -75.158 -12.137 1.00 12.34 H new ATOM 0 HB3 GLU A 56 20.767 -76.696 -12.820 1.00 12.34 H new ATOM 0 HG2 GLU A 56 21.005 -77.160 -10.536 1.00 53.51 H new ATOM 0 HG3 GLU A 56 22.487 -77.780 -11.234 1.00 53.51 H new ATOM 864 N ALA A 57 22.378 -78.250 -14.386 1.00 2.01 N ATOM 865 CA ALA A 57 22.678 -79.620 -14.783 1.00 74.43 C ATOM 866 C ALA A 57 23.951 -79.687 -15.628 1.00 71.13 C ATOM 867 O ALA A 57 24.834 -80.494 -15.368 1.00 12.10 O ATOM 868 CB ALA A 57 21.495 -80.213 -15.538 1.00 4.12 C ATOM 0 H ALA A 57 21.454 -77.925 -14.672 1.00 2.01 H new ATOM 0 HA ALA A 57 22.852 -80.209 -13.882 1.00 74.43 H new ATOM 0 HB1 ALA A 57 21.727 -81.237 -15.831 1.00 4.12 H new ATOM 0 HB2 ALA A 57 20.615 -80.210 -14.895 1.00 4.12 H new ATOM 0 HB3 ALA A 57 21.296 -79.617 -16.428 1.00 4.12 H new ATOM 874 N ASP A 58 24.045 -78.817 -16.622 1.00 44.45 N ATOM 875 CA ASP A 58 25.188 -78.792 -17.540 1.00 61.14 C ATOM 876 C ASP A 58 26.467 -78.383 -16.813 1.00 50.21 C ATOM 877 O ASP A 58 27.557 -78.860 -17.138 1.00 33.21 O ATOM 878 CB ASP A 58 24.904 -77.834 -18.710 1.00 0.41 C ATOM 879 CG ASP A 58 26.095 -77.640 -19.641 1.00 35.12 C ATOM 880 OD1 ASP A 58 26.466 -78.594 -20.355 1.00 32.14 O ATOM 881 OD2 ASP A 58 26.645 -76.518 -19.687 1.00 22.10 O ATOM 0 H ASP A 58 23.338 -78.109 -16.820 1.00 44.45 H new ATOM 0 HA ASP A 58 25.334 -79.798 -17.934 1.00 61.14 H new ATOM 0 HB2 ASP A 58 24.061 -78.217 -19.286 1.00 0.41 H new ATOM 0 HB3 ASP A 58 24.603 -76.865 -18.311 1.00 0.41 H new ATOM 886 N ALA A 59 26.322 -77.519 -15.814 1.00 41.11 N ATOM 887 CA ALA A 59 27.460 -77.018 -15.049 1.00 31.13 C ATOM 888 C ALA A 59 28.068 -78.118 -14.182 1.00 41.12 C ATOM 889 O ALA A 59 29.287 -78.307 -14.165 1.00 73.43 O ATOM 890 CB ALA A 59 27.044 -75.830 -14.188 1.00 33.22 C ATOM 0 H ALA A 59 25.421 -77.148 -15.513 1.00 41.11 H new ATOM 0 HA ALA A 59 28.220 -76.687 -15.756 1.00 31.13 H new ATOM 0 HB1 ALA A 59 27.905 -75.470 -13.625 1.00 33.22 H new ATOM 0 HB2 ALA A 59 26.668 -75.031 -14.827 1.00 33.22 H new ATOM 0 HB3 ALA A 59 26.261 -76.139 -13.496 1.00 33.22 H new ATOM 896 N LEU A 60 27.220 -78.850 -13.464 1.00 54.24 N ATOM 897 CA LEU A 60 27.703 -79.901 -12.558 1.00 74.52 C ATOM 898 C LEU A 60 27.592 -81.300 -13.180 1.00 2.20 C ATOM 899 O LEU A 60 27.871 -82.304 -12.522 1.00 5.04 O ATOM 900 CB LEU A 60 26.959 -79.828 -11.222 1.00 10.34 C ATOM 901 CG LEU A 60 27.247 -78.565 -10.398 1.00 60.33 C ATOM 902 CD1 LEU A 60 26.403 -78.548 -9.134 1.00 41.11 C ATOM 903 CD2 LEU A 60 28.736 -78.467 -10.056 1.00 51.52 C ATOM 0 H LEU A 60 26.206 -78.741 -13.487 1.00 54.24 H new ATOM 0 HA LEU A 60 28.764 -79.724 -12.380 1.00 74.52 H new ATOM 0 HB2 LEU A 60 25.888 -79.884 -11.414 1.00 10.34 H new ATOM 0 HB3 LEU A 60 27.222 -80.702 -10.626 1.00 10.34 H new ATOM 0 HG LEU A 60 26.980 -77.697 -11.000 1.00 60.33 H new ATOM 0 HD11 LEU A 60 26.621 -77.645 -8.563 1.00 41.11 H new ATOM 0 HD12 LEU A 60 25.346 -78.562 -9.402 1.00 41.11 H new ATOM 0 HD13 LEU A 60 26.635 -79.425 -8.529 1.00 41.11 H new ATOM 0 HD21 LEU A 60 28.917 -77.565 -9.472 1.00 51.52 H new ATOM 0 HD22 LEU A 60 29.034 -79.340 -9.476 1.00 51.52 H new ATOM 0 HD23 LEU A 60 29.319 -78.426 -10.976 1.00 51.52 H new ATOM 915 N SER A 61 27.181 -81.348 -14.445 1.00 74.52 N ATOM 916 CA SER A 61 27.201 -82.572 -15.245 1.00 3.53 C ATOM 917 C SER A 61 26.182 -83.599 -14.731 1.00 64.03 C ATOM 918 O SER A 61 26.445 -84.805 -14.737 1.00 34.12 O ATOM 919 CB SER A 61 28.624 -83.169 -15.268 1.00 74.53 C ATOM 920 OG SER A 61 28.706 -84.319 -16.099 1.00 63.03 O ATOM 0 H SER A 61 26.823 -80.536 -14.947 1.00 74.52 H new ATOM 0 HA SER A 61 26.913 -82.315 -16.264 1.00 3.53 H new ATOM 0 HB2 SER A 61 29.328 -82.415 -15.622 1.00 74.53 H new ATOM 0 HB3 SER A 61 28.923 -83.433 -14.254 1.00 74.53 H new ATOM 0 HG SER A 61 27.926 -84.891 -15.944 1.00 63.03 H new ATOM 926 N LEU A 62 25.009 -83.122 -14.315 1.00 73.12 N ATOM 927 CA LEU A 62 23.906 -84.020 -13.981 1.00 32.44 C ATOM 928 C LEU A 62 23.208 -84.449 -15.266 1.00 13.42 C ATOM 929 O LEU A 62 22.927 -83.617 -16.128 1.00 54.02 O ATOM 930 CB LEU A 62 22.870 -83.358 -13.046 1.00 62.02 C ATOM 931 CG LEU A 62 23.334 -83.053 -11.610 1.00 31.13 C ATOM 932 CD1 LEU A 62 24.041 -84.262 -10.998 1.00 22.14 C ATOM 933 CD2 LEU A 62 24.217 -81.808 -11.579 1.00 20.31 C ATOM 0 H LEU A 62 24.800 -82.130 -14.202 1.00 73.12 H new ATOM 0 HA LEU A 62 24.327 -84.877 -13.456 1.00 32.44 H new ATOM 0 HB2 LEU A 62 22.545 -82.424 -13.505 1.00 62.02 H new ATOM 0 HB3 LEU A 62 21.996 -84.007 -12.991 1.00 62.02 H new ATOM 0 HG LEU A 62 22.454 -82.846 -11.001 1.00 31.13 H new ATOM 0 HD11 LEU A 62 24.360 -84.022 -9.984 1.00 22.14 H new ATOM 0 HD12 LEU A 62 23.356 -85.110 -10.972 1.00 22.14 H new ATOM 0 HD13 LEU A 62 24.912 -84.518 -11.601 1.00 22.14 H new ATOM 0 HD21 LEU A 62 24.533 -81.612 -10.555 1.00 20.31 H new ATOM 0 HD22 LEU A 62 25.095 -81.969 -12.205 1.00 20.31 H new ATOM 0 HD23 LEU A 62 23.655 -80.954 -11.955 1.00 20.31 H new ATOM 945 N VAL A 63 22.938 -85.743 -15.394 1.00 63.31 N ATOM 946 CA VAL A 63 22.193 -86.259 -16.537 1.00 53.30 C ATOM 947 C VAL A 63 20.808 -86.703 -16.084 1.00 24.01 C ATOM 948 O VAL A 63 20.548 -86.810 -14.887 1.00 52.40 O ATOM 949 CB VAL A 63 22.931 -87.437 -17.235 1.00 11.42 C ATOM 950 CG1 VAL A 63 24.305 -86.989 -17.733 1.00 23.31 C ATOM 951 CG2 VAL A 63 23.056 -88.644 -16.303 1.00 10.23 C ATOM 0 H VAL A 63 23.224 -86.454 -14.721 1.00 63.31 H new ATOM 0 HA VAL A 63 22.105 -85.455 -17.268 1.00 53.30 H new ATOM 0 HB VAL A 63 22.336 -87.744 -18.095 1.00 11.42 H new ATOM 0 HG11 VAL A 63 24.807 -87.826 -18.218 1.00 23.31 H new ATOM 0 HG12 VAL A 63 24.185 -86.174 -18.447 1.00 23.31 H new ATOM 0 HG13 VAL A 63 24.904 -86.647 -16.889 1.00 23.31 H new ATOM 0 HG21 VAL A 63 23.576 -89.450 -16.820 1.00 10.23 H new ATOM 0 HG22 VAL A 63 23.619 -88.360 -15.414 1.00 10.23 H new ATOM 0 HG23 VAL A 63 22.062 -88.982 -16.010 1.00 10.23 H new ATOM 961 N GLY A 64 19.920 -86.940 -17.036 1.00 15.23 N ATOM 962 CA GLY A 64 18.562 -87.331 -16.715 1.00 55.25 C ATOM 963 C GLY A 64 17.583 -86.731 -17.693 1.00 30.41 C ATOM 964 O GLY A 64 17.855 -86.686 -18.901 1.00 63.55 O ATOM 0 H GLY A 64 20.117 -86.868 -18.034 1.00 15.23 H new ATOM 0 HA2 GLY A 64 18.479 -88.418 -16.732 1.00 55.25 H new ATOM 0 HA3 GLY A 64 18.316 -87.008 -15.704 1.00 55.25 H new ATOM 968 N TYR A 65 16.445 -86.269 -17.192 1.00 73.32 N ATOM 969 CA TYR A 65 15.462 -85.606 -18.037 1.00 13.32 C ATOM 970 C TYR A 65 14.409 -84.903 -17.188 1.00 31.43 C ATOM 971 O TYR A 65 14.215 -85.249 -16.024 1.00 30.44 O ATOM 972 CB TYR A 65 14.819 -86.613 -19.013 1.00 12.34 C ATOM 973 CG TYR A 65 13.424 -87.075 -18.635 1.00 12.32 C ATOM 974 CD1 TYR A 65 13.223 -88.163 -17.792 1.00 2.54 C ATOM 975 CD2 TYR A 65 12.306 -86.420 -19.138 1.00 43.24 C ATOM 976 CE1 TYR A 65 11.949 -88.582 -17.463 1.00 14.21 C ATOM 977 CE2 TYR A 65 11.033 -86.828 -18.811 1.00 74.34 C ATOM 978 CZ TYR A 65 10.856 -87.912 -17.973 1.00 4.14 C ATOM 979 OH TYR A 65 9.585 -88.327 -17.644 1.00 22.34 O ATOM 0 H TYR A 65 16.181 -86.341 -16.209 1.00 73.32 H new ATOM 0 HA TYR A 65 15.970 -84.846 -18.630 1.00 13.32 H new ATOM 0 HB2 TYR A 65 14.779 -86.160 -20.004 1.00 12.34 H new ATOM 0 HB3 TYR A 65 15.466 -87.487 -19.088 1.00 12.34 H new ATOM 0 HD1 TYR A 65 14.076 -88.688 -17.389 1.00 2.54 H new ATOM 0 HD2 TYR A 65 12.439 -85.575 -19.798 1.00 43.24 H new ATOM 0 HE1 TYR A 65 11.809 -89.430 -16.809 1.00 14.21 H new ATOM 0 HE2 TYR A 65 10.176 -86.303 -19.208 1.00 74.34 H new ATOM 0 HH TYR A 65 9.593 -88.730 -16.751 1.00 22.34 H new ATOM 989 N VAL A 66 13.739 -83.911 -17.772 1.00 23.54 N ATOM 990 CA VAL A 66 12.666 -83.183 -17.088 1.00 72.34 C ATOM 991 C VAL A 66 11.505 -82.929 -18.046 1.00 10.41 C ATOM 992 O VAL A 66 11.732 -82.689 -19.231 1.00 63.31 O ATOM 993 CB VAL A 66 13.184 -81.841 -16.492 1.00 1.11 C ATOM 994 CG1 VAL A 66 12.059 -80.822 -16.312 1.00 51.44 C ATOM 995 CG2 VAL A 66 13.883 -82.085 -15.156 1.00 12.42 C ATOM 0 H VAL A 66 13.920 -83.590 -18.723 1.00 23.54 H new ATOM 0 HA VAL A 66 12.313 -83.800 -16.262 1.00 72.34 H new ATOM 0 HB VAL A 66 13.898 -81.426 -17.204 1.00 1.11 H new ATOM 0 HG11 VAL A 66 12.466 -79.901 -15.894 1.00 51.44 H new ATOM 0 HG12 VAL A 66 11.601 -80.611 -17.278 1.00 51.44 H new ATOM 0 HG13 VAL A 66 11.307 -81.227 -15.635 1.00 51.44 H new ATOM 0 HG21 VAL A 66 14.239 -81.137 -14.753 1.00 12.42 H new ATOM 0 HG22 VAL A 66 13.181 -82.536 -14.455 1.00 12.42 H new ATOM 0 HG23 VAL A 66 14.729 -82.756 -15.305 1.00 12.42 H new ATOM 1005 N THR A 67 10.278 -82.992 -17.514 1.00 33.35 N ATOM 1006 CA THR A 67 9.055 -82.780 -18.288 1.00 62.00 C ATOM 1007 C THR A 67 7.944 -82.228 -17.387 1.00 43.22 C ATOM 1008 O THR A 67 8.028 -82.324 -16.162 1.00 43.20 O ATOM 1009 CB THR A 67 8.564 -84.094 -18.946 1.00 20.20 C ATOM 1010 OG1 THR A 67 7.438 -83.838 -19.799 1.00 12.03 O ATOM 1011 CG2 THR A 67 8.166 -85.126 -17.898 1.00 52.41 C ATOM 0 H THR A 67 10.108 -83.193 -16.529 1.00 33.35 H new ATOM 0 HA THR A 67 9.288 -82.061 -19.074 1.00 62.00 H new ATOM 0 HB THR A 67 9.391 -84.490 -19.535 1.00 20.20 H new ATOM 0 HG1 THR A 67 7.458 -84.454 -20.561 1.00 12.03 H new ATOM 0 HG21 THR A 67 7.826 -86.036 -18.394 1.00 52.41 H new ATOM 0 HG22 THR A 67 9.026 -85.355 -17.268 1.00 52.41 H new ATOM 0 HG23 THR A 67 7.361 -84.727 -17.281 1.00 52.41 H new ATOM 1019 N ASN A 68 6.915 -81.641 -17.993 1.00 24.14 N ATOM 1020 CA ASN A 68 5.752 -81.142 -17.256 1.00 73.40 C ATOM 1021 C ASN A 68 4.635 -82.186 -17.278 1.00 73.12 C ATOM 1022 O ASN A 68 4.592 -83.044 -18.166 1.00 10.52 O ATOM 1023 CB ASN A 68 5.264 -79.815 -17.863 1.00 71.15 C ATOM 1024 CG ASN A 68 3.952 -79.321 -17.268 1.00 11.14 C ATOM 1025 OD1 ASN A 68 2.874 -79.612 -17.783 1.00 14.14 O ATOM 1026 ND2 ASN A 68 4.033 -78.570 -16.181 1.00 71.23 N ATOM 0 H ASN A 68 6.861 -81.497 -19.001 1.00 24.14 H new ATOM 0 HA ASN A 68 6.040 -80.959 -16.221 1.00 73.40 H new ATOM 0 HB2 ASN A 68 6.030 -79.054 -17.716 1.00 71.15 H new ATOM 0 HB3 ASN A 68 5.142 -79.940 -18.939 1.00 71.15 H new ATOM 0 HD21 ASN A 68 3.184 -78.213 -15.743 1.00 71.23 H new ATOM 0 HD22 ASN A 68 4.945 -78.349 -15.781 1.00 71.23 H new ATOM 1033 N ASN A 69 3.744 -82.119 -16.293 1.00 74.00 N ATOM 1034 CA ASN A 69 2.632 -83.061 -16.175 1.00 52.24 C ATOM 1035 C ASN A 69 1.305 -82.314 -16.095 1.00 5.25 C ATOM 1036 O ASN A 69 1.267 -81.129 -15.746 1.00 52.52 O ATOM 1037 CB ASN A 69 2.798 -83.951 -14.930 1.00 72.13 C ATOM 1038 CG ASN A 69 4.003 -84.879 -14.999 1.00 72.22 C ATOM 1039 OD1 ASN A 69 4.602 -85.207 -13.975 1.00 2.34 O ATOM 1040 ND2 ASN A 69 4.359 -85.319 -16.198 1.00 31.15 N ATOM 0 H ASN A 69 3.771 -81.414 -15.556 1.00 74.00 H new ATOM 0 HA ASN A 69 2.634 -83.693 -17.063 1.00 52.24 H new ATOM 0 HB2 ASN A 69 2.890 -83.315 -14.049 1.00 72.13 H new ATOM 0 HB3 ASN A 69 1.896 -84.549 -14.799 1.00 72.13 H new ATOM 0 HD21 ASN A 69 5.154 -85.951 -16.294 1.00 31.15 H new ATOM 0 HD22 ASN A 69 3.838 -85.025 -17.024 1.00 31.15 H new ATOM 1047 N GLU A 70 0.217 -83.024 -16.390 1.00 63.52 N ATOM 1048 CA GLU A 70 -1.127 -82.444 -16.358 1.00 54.22 C ATOM 1049 C GLU A 70 -1.516 -82.037 -14.935 1.00 23.41 C ATOM 1050 O GLU A 70 -2.509 -81.336 -14.728 1.00 22.31 O ATOM 1051 CB GLU A 70 -2.151 -83.432 -16.927 1.00 35.24 C ATOM 1052 CG GLU A 70 -2.223 -84.759 -16.181 1.00 73.50 C ATOM 1053 CD GLU A 70 -3.248 -85.703 -16.783 1.00 44.50 C ATOM 1054 OE1 GLU A 70 -4.428 -85.644 -16.380 1.00 32.11 O ATOM 1055 OE2 GLU A 70 -2.883 -86.492 -17.680 1.00 22.30 O ATOM 0 H GLU A 70 0.240 -84.009 -16.656 1.00 63.52 H new ATOM 0 HA GLU A 70 -1.122 -81.548 -16.979 1.00 54.22 H new ATOM 0 HB2 GLU A 70 -3.136 -82.966 -16.911 1.00 35.24 H new ATOM 0 HB3 GLU A 70 -1.908 -83.628 -17.971 1.00 35.24 H new ATOM 0 HG2 GLU A 70 -1.242 -85.235 -16.194 1.00 73.50 H new ATOM 0 HG3 GLU A 70 -2.473 -84.573 -15.136 1.00 73.50 H new ATOM 1062 N ASP A 71 -0.727 -82.486 -13.961 1.00 53.44 N ATOM 1063 CA ASP A 71 -0.899 -82.079 -12.566 1.00 52.32 C ATOM 1064 C ASP A 71 -0.619 -80.584 -12.410 1.00 60.33 C ATOM 1065 O ASP A 71 -0.969 -79.980 -11.396 1.00 61.33 O ATOM 1066 CB ASP A 71 0.073 -82.846 -11.651 1.00 72.43 C ATOM 1067 CG ASP A 71 -0.127 -84.353 -11.655 1.00 73.01 C ATOM 1068 OD1 ASP A 71 0.186 -84.998 -12.676 1.00 23.34 O ATOM 1069 OD2 ASP A 71 -0.555 -84.905 -10.618 1.00 44.11 O ATOM 0 H ASP A 71 0.044 -83.137 -14.113 1.00 53.44 H new ATOM 0 HA ASP A 71 -1.928 -82.301 -12.282 1.00 52.32 H new ATOM 0 HB2 ASP A 71 1.095 -82.625 -11.959 1.00 72.43 H new ATOM 0 HB3 ASP A 71 -0.039 -82.478 -10.631 1.00 72.43 H new ATOM 1074 N GLY A 72 0.023 -79.996 -13.422 1.00 2.22 N ATOM 1075 CA GLY A 72 0.515 -78.635 -13.310 1.00 24.21 C ATOM 1076 C GLY A 72 1.867 -78.622 -12.634 1.00 64.40 C ATOM 1077 O GLY A 72 2.317 -77.599 -12.122 1.00 24.14 O ATOM 0 H GLY A 72 0.210 -80.443 -14.319 1.00 2.22 H new ATOM 0 HA2 GLY A 72 0.591 -78.186 -14.300 1.00 24.21 H new ATOM 0 HA3 GLY A 72 -0.191 -78.031 -12.739 1.00 24.21 H new ATOM 1081 N SER A 73 2.513 -79.781 -12.647 1.00 74.30 N ATOM 1082 CA SER A 73 3.792 -79.978 -11.990 1.00 53.52 C ATOM 1083 C SER A 73 4.879 -80.276 -13.017 1.00 5.24 C ATOM 1084 O SER A 73 4.586 -80.561 -14.180 1.00 20.32 O ATOM 1085 CB SER A 73 3.675 -81.141 -10.996 1.00 23.04 C ATOM 1086 OG SER A 73 3.183 -82.308 -11.638 1.00 33.31 O ATOM 0 H SER A 73 2.159 -80.614 -13.118 1.00 74.30 H new ATOM 0 HA SER A 73 4.065 -79.067 -11.457 1.00 53.52 H new ATOM 0 HB2 SER A 73 4.650 -81.347 -10.555 1.00 23.04 H new ATOM 0 HB3 SER A 73 3.009 -80.862 -10.180 1.00 23.04 H new ATOM 0 HG SER A 73 3.764 -83.068 -11.425 1.00 33.31 H new ATOM 1092 N VAL A 74 6.127 -80.201 -12.583 1.00 2.14 N ATOM 1093 CA VAL A 74 7.265 -80.562 -13.413 1.00 23.14 C ATOM 1094 C VAL A 74 7.987 -81.747 -12.784 1.00 45.15 C ATOM 1095 O VAL A 74 8.510 -81.646 -11.670 1.00 50.12 O ATOM 1096 CB VAL A 74 8.242 -79.374 -13.585 1.00 61.55 C ATOM 1097 CG1 VAL A 74 9.475 -79.791 -14.379 1.00 25.24 C ATOM 1098 CG2 VAL A 74 7.535 -78.201 -14.260 1.00 44.21 C ATOM 0 H VAL A 74 6.380 -79.888 -11.646 1.00 2.14 H new ATOM 0 HA VAL A 74 6.899 -80.832 -14.403 1.00 23.14 H new ATOM 0 HB VAL A 74 8.574 -79.057 -12.596 1.00 61.55 H new ATOM 0 HG11 VAL A 74 10.145 -78.938 -14.485 1.00 25.24 H new ATOM 0 HG12 VAL A 74 9.991 -80.595 -13.854 1.00 25.24 H new ATOM 0 HG13 VAL A 74 9.171 -80.139 -15.366 1.00 25.24 H new ATOM 0 HG21 VAL A 74 8.234 -77.372 -14.375 1.00 44.21 H new ATOM 0 HG22 VAL A 74 7.174 -78.510 -15.241 1.00 44.21 H new ATOM 0 HG23 VAL A 74 6.692 -77.883 -13.647 1.00 44.21 H new ATOM 1108 N SER A 75 7.987 -82.871 -13.485 1.00 24.41 N ATOM 1109 CA SER A 75 8.592 -84.097 -12.987 1.00 33.53 C ATOM 1110 C SER A 75 9.701 -84.566 -13.929 1.00 25.55 C ATOM 1111 O SER A 75 9.643 -84.339 -15.139 1.00 44.43 O ATOM 1112 CB SER A 75 7.521 -85.185 -12.832 1.00 45.42 C ATOM 1113 OG SER A 75 6.434 -84.726 -12.041 1.00 50.11 O ATOM 0 H SER A 75 7.569 -82.959 -14.411 1.00 24.41 H new ATOM 0 HA SER A 75 9.034 -83.900 -12.010 1.00 33.53 H new ATOM 0 HB2 SER A 75 7.158 -85.484 -13.815 1.00 45.42 H new ATOM 0 HB3 SER A 75 7.961 -86.070 -12.372 1.00 45.42 H new ATOM 0 HG SER A 75 5.602 -84.802 -12.553 1.00 50.11 H new ATOM 1119 N GLY A 76 10.712 -85.206 -13.365 1.00 32.44 N ATOM 1120 CA GLY A 76 11.825 -85.703 -14.148 1.00 51.54 C ATOM 1121 C GLY A 76 12.701 -86.627 -13.333 1.00 43.42 C ATOM 1122 O GLY A 76 12.282 -87.103 -12.278 1.00 53.55 O ATOM 0 H GLY A 76 10.782 -85.393 -12.365 1.00 32.44 H new ATOM 0 HA2 GLY A 76 11.449 -86.233 -15.023 1.00 51.54 H new ATOM 0 HA3 GLY A 76 12.418 -84.865 -14.514 1.00 51.54 H new ATOM 1126 N VAL A 77 13.910 -86.885 -13.814 1.00 42.05 N ATOM 1127 CA VAL A 77 14.856 -87.744 -13.116 1.00 43.44 C ATOM 1128 C VAL A 77 16.263 -87.163 -13.223 1.00 74.14 C ATOM 1129 O VAL A 77 16.663 -86.694 -14.292 1.00 42.33 O ATOM 1130 CB VAL A 77 14.863 -89.187 -13.691 1.00 53.04 C ATOM 1131 CG1 VAL A 77 15.826 -90.075 -12.907 1.00 73.25 C ATOM 1132 CG2 VAL A 77 13.457 -89.794 -13.698 1.00 44.22 C ATOM 0 H VAL A 77 14.261 -86.507 -14.694 1.00 42.05 H new ATOM 0 HA VAL A 77 14.542 -87.791 -12.073 1.00 43.44 H new ATOM 0 HB VAL A 77 15.206 -89.129 -14.724 1.00 53.04 H new ATOM 0 HG11 VAL A 77 15.816 -91.081 -13.326 1.00 73.25 H new ATOM 0 HG12 VAL A 77 16.834 -89.665 -12.972 1.00 73.25 H new ATOM 0 HG13 VAL A 77 15.517 -90.114 -11.862 1.00 73.25 H new ATOM 0 HG21 VAL A 77 13.499 -90.804 -14.106 1.00 44.22 H new ATOM 0 HG22 VAL A 77 13.071 -89.830 -12.679 1.00 44.22 H new ATOM 0 HG23 VAL A 77 12.799 -89.181 -14.313 1.00 44.22 H new ATOM 1142 N VAL A 78 16.994 -87.180 -12.110 1.00 11.12 N ATOM 1143 CA VAL A 78 18.389 -86.746 -12.082 1.00 13.11 C ATOM 1144 C VAL A 78 19.281 -87.958 -11.818 1.00 3.40 C ATOM 1145 O VAL A 78 18.916 -88.846 -11.044 1.00 63.53 O ATOM 1146 CB VAL A 78 18.640 -85.676 -10.986 1.00 55.53 C ATOM 1147 CG1 VAL A 78 18.557 -86.288 -9.592 1.00 52.34 C ATOM 1148 CG2 VAL A 78 19.988 -84.993 -11.190 1.00 23.42 C ATOM 0 H VAL A 78 16.638 -87.493 -11.207 1.00 11.12 H new ATOM 0 HA VAL A 78 18.624 -86.296 -13.047 1.00 13.11 H new ATOM 0 HB VAL A 78 17.857 -84.923 -11.073 1.00 55.53 H new ATOM 0 HG11 VAL A 78 18.737 -85.516 -8.844 1.00 52.34 H new ATOM 0 HG12 VAL A 78 17.566 -86.716 -9.441 1.00 52.34 H new ATOM 0 HG13 VAL A 78 19.309 -87.071 -9.493 1.00 52.34 H new ATOM 0 HG21 VAL A 78 20.140 -84.248 -10.409 1.00 23.42 H new ATOM 0 HG22 VAL A 78 20.784 -85.737 -11.142 1.00 23.42 H new ATOM 0 HG23 VAL A 78 20.005 -84.506 -12.165 1.00 23.42 H new ATOM 1158 N GLN A 79 20.434 -88.010 -12.474 1.00 61.04 N ATOM 1159 CA GLN A 79 21.333 -89.152 -12.365 1.00 72.34 C ATOM 1160 C GLN A 79 22.783 -88.665 -12.330 1.00 51.25 C ATOM 1161 O GLN A 79 23.210 -87.909 -13.209 1.00 1.41 O ATOM 1162 CB GLN A 79 21.126 -90.101 -13.566 1.00 75.34 C ATOM 1163 CG GLN A 79 19.694 -90.117 -14.111 1.00 65.40 C ATOM 1164 CD GLN A 79 19.505 -91.023 -15.318 1.00 13.34 C ATOM 1165 OE1 GLN A 79 18.715 -90.724 -16.212 1.00 12.03 O ATOM 1166 NE2 GLN A 79 20.182 -92.156 -15.329 1.00 41.24 N ATOM 0 H GLN A 79 20.770 -87.270 -13.090 1.00 61.04 H new ATOM 0 HA GLN A 79 21.114 -89.693 -11.444 1.00 72.34 H new ATOM 0 HB2 GLN A 79 21.805 -89.809 -14.367 1.00 75.34 H new ATOM 0 HB3 GLN A 79 21.401 -91.113 -13.268 1.00 75.34 H new ATOM 0 HG2 GLN A 79 19.018 -90.438 -13.319 1.00 65.40 H new ATOM 0 HG3 GLN A 79 19.408 -89.101 -14.383 1.00 65.40 H new ATOM 0 HE21 GLN A 79 20.829 -92.371 -14.570 1.00 41.24 H new ATOM 0 HE22 GLN A 79 20.058 -92.817 -16.096 1.00 41.24 H new ATOM 1175 N GLY A 80 23.527 -89.075 -11.308 1.00 73.20 N ATOM 1176 CA GLY A 80 24.933 -88.715 -11.216 1.00 70.11 C ATOM 1177 C GLY A 80 25.485 -88.934 -9.819 1.00 45.11 C ATOM 1178 O GLY A 80 24.864 -89.625 -9.017 1.00 30.00 O ATOM 0 H GLY A 80 23.182 -89.651 -10.540 1.00 73.20 H new ATOM 0 HA2 GLY A 80 25.506 -89.307 -11.929 1.00 70.11 H new ATOM 0 HA3 GLY A 80 25.059 -87.669 -11.496 1.00 70.11 H new ATOM 1182 N PRO A 81 26.660 -88.367 -9.501 1.00 21.24 N ATOM 1183 CA PRO A 81 27.246 -88.459 -8.156 1.00 24.25 C ATOM 1184 C PRO A 81 26.366 -87.766 -7.110 1.00 43.11 C ATOM 1185 O PRO A 81 25.892 -86.649 -7.332 1.00 61.12 O ATOM 1186 CB PRO A 81 28.602 -87.751 -8.298 1.00 14.12 C ATOM 1187 CG PRO A 81 28.465 -86.886 -9.508 1.00 1.43 C ATOM 1188 CD PRO A 81 27.515 -87.603 -10.427 1.00 73.32 C ATOM 0 HA PRO A 81 27.341 -89.489 -7.813 1.00 24.25 H new ATOM 0 HB2 PRO A 81 28.831 -87.157 -7.413 1.00 14.12 H new ATOM 0 HB3 PRO A 81 29.412 -88.471 -8.418 1.00 14.12 H new ATOM 0 HG2 PRO A 81 28.081 -85.901 -9.242 1.00 1.43 H new ATOM 0 HG3 PRO A 81 29.431 -86.732 -9.989 1.00 1.43 H new ATOM 0 HD2 PRO A 81 26.933 -86.905 -11.029 1.00 73.32 H new ATOM 0 HD3 PRO A 81 28.043 -88.258 -11.120 1.00 73.32 H new ATOM 1196 N LYS A 82 26.175 -88.424 -5.964 1.00 34.24 N ATOM 1197 CA LYS A 82 25.231 -87.965 -4.938 1.00 65.22 C ATOM 1198 C LYS A 82 25.496 -86.516 -4.526 1.00 10.03 C ATOM 1199 O LYS A 82 24.577 -85.797 -4.138 1.00 13.55 O ATOM 1200 CB LYS A 82 25.267 -88.901 -3.710 1.00 54.13 C ATOM 1201 CG LYS A 82 26.602 -88.943 -2.952 1.00 14.43 C ATOM 1202 CD LYS A 82 26.717 -87.840 -1.894 1.00 71.14 C ATOM 1203 CE LYS A 82 25.661 -87.996 -0.805 1.00 51.01 C ATOM 1204 NZ LYS A 82 25.751 -86.925 0.224 1.00 4.33 N ATOM 0 H LYS A 82 26.666 -89.284 -5.721 1.00 34.24 H new ATOM 0 HA LYS A 82 24.232 -87.999 -5.373 1.00 65.22 H new ATOM 0 HB2 LYS A 82 24.485 -88.593 -3.017 1.00 54.13 H new ATOM 0 HB3 LYS A 82 25.023 -89.912 -4.037 1.00 54.13 H new ATOM 0 HG2 LYS A 82 26.711 -89.915 -2.471 1.00 14.43 H new ATOM 0 HG3 LYS A 82 27.422 -88.845 -3.663 1.00 14.43 H new ATOM 0 HD2 LYS A 82 27.710 -87.867 -1.445 1.00 71.14 H new ATOM 0 HD3 LYS A 82 26.609 -86.865 -2.370 1.00 71.14 H new ATOM 0 HE2 LYS A 82 24.670 -87.980 -1.258 1.00 51.01 H new ATOM 0 HE3 LYS A 82 25.777 -88.968 -0.326 1.00 51.01 H new ATOM 0 HZ1 LYS A 82 25.014 -87.072 0.943 1.00 4.33 H new ATOM 0 HZ2 LYS A 82 26.687 -86.956 0.676 1.00 4.33 H new ATOM 0 HZ3 LYS A 82 25.614 -85.998 -0.227 1.00 4.33 H new ATOM 1218 N GLU A 83 26.755 -86.098 -4.608 1.00 45.34 N ATOM 1219 CA GLU A 83 27.139 -84.732 -4.249 1.00 53.14 C ATOM 1220 C GLU A 83 26.563 -83.717 -5.246 1.00 41.52 C ATOM 1221 O GLU A 83 25.915 -82.741 -4.850 1.00 1.31 O ATOM 1222 CB GLU A 83 28.672 -84.616 -4.136 1.00 53.44 C ATOM 1223 CG GLU A 83 29.438 -85.339 -5.240 1.00 34.25 C ATOM 1224 CD GLU A 83 30.946 -85.213 -5.093 1.00 42.22 C ATOM 1225 OE1 GLU A 83 31.500 -84.152 -5.453 1.00 53.32 O ATOM 1226 OE2 GLU A 83 31.586 -86.175 -4.618 1.00 25.22 O ATOM 0 H GLU A 83 27.529 -86.684 -4.920 1.00 45.34 H new ATOM 0 HA GLU A 83 26.715 -84.498 -3.273 1.00 53.14 H new ATOM 0 HB2 GLU A 83 28.947 -83.561 -4.149 1.00 53.44 H new ATOM 0 HB3 GLU A 83 28.985 -85.015 -3.171 1.00 53.44 H new ATOM 0 HG2 GLU A 83 29.164 -86.394 -5.234 1.00 34.25 H new ATOM 0 HG3 GLU A 83 29.137 -84.937 -6.207 1.00 34.25 H new ATOM 1233 N GLN A 84 26.770 -83.960 -6.536 1.00 71.32 N ATOM 1234 CA GLN A 84 26.209 -83.097 -7.575 1.00 73.41 C ATOM 1235 C GLN A 84 24.684 -83.215 -7.595 1.00 4.41 C ATOM 1236 O GLN A 84 23.982 -82.254 -7.909 1.00 35.12 O ATOM 1237 CB GLN A 84 26.803 -83.434 -8.955 1.00 70.43 C ATOM 1238 CG GLN A 84 28.210 -82.882 -9.188 1.00 43.51 C ATOM 1239 CD GLN A 84 29.241 -83.405 -8.200 1.00 53.33 C ATOM 1240 OE1 GLN A 84 29.880 -84.431 -8.431 1.00 64.14 O ATOM 1241 NE2 GLN A 84 29.416 -82.702 -7.097 1.00 5.13 N ATOM 0 H GLN A 84 27.320 -84.744 -6.888 1.00 71.32 H new ATOM 0 HA GLN A 84 26.474 -82.065 -7.343 1.00 73.41 H new ATOM 0 HB2 GLN A 84 26.827 -84.517 -9.072 1.00 70.43 H new ATOM 0 HB3 GLN A 84 26.140 -83.044 -9.728 1.00 70.43 H new ATOM 0 HG2 GLN A 84 28.528 -83.135 -10.200 1.00 43.51 H new ATOM 0 HG3 GLN A 84 28.179 -81.794 -9.126 1.00 43.51 H new ATOM 0 HE21 GLN A 84 28.868 -81.856 -6.939 1.00 5.13 H new ATOM 0 HE22 GLN A 84 30.099 -83.004 -6.402 1.00 5.13 H new ATOM 1250 N VAL A 85 24.175 -84.395 -7.244 1.00 33.13 N ATOM 1251 CA VAL A 85 22.734 -84.599 -7.116 1.00 22.34 C ATOM 1252 C VAL A 85 22.188 -83.766 -5.953 1.00 73.43 C ATOM 1253 O VAL A 85 21.109 -83.177 -6.047 1.00 53.31 O ATOM 1254 CB VAL A 85 22.383 -86.096 -6.906 1.00 44.11 C ATOM 1255 CG1 VAL A 85 20.886 -86.281 -6.659 1.00 71.00 C ATOM 1256 CG2 VAL A 85 22.834 -86.928 -8.106 1.00 25.24 C ATOM 0 H VAL A 85 24.738 -85.222 -7.044 1.00 33.13 H new ATOM 0 HA VAL A 85 22.269 -84.275 -8.047 1.00 22.34 H new ATOM 0 HB VAL A 85 22.917 -86.445 -6.022 1.00 44.11 H new ATOM 0 HG11 VAL A 85 20.669 -87.339 -6.515 1.00 71.00 H new ATOM 0 HG12 VAL A 85 20.593 -85.726 -5.768 1.00 71.00 H new ATOM 0 HG13 VAL A 85 20.327 -85.909 -7.518 1.00 71.00 H new ATOM 0 HG21 VAL A 85 22.579 -87.975 -7.940 1.00 25.24 H new ATOM 0 HG22 VAL A 85 22.332 -86.571 -9.005 1.00 25.24 H new ATOM 0 HG23 VAL A 85 23.913 -86.833 -8.230 1.00 25.24 H new ATOM 1266 N ASP A 86 22.953 -83.715 -4.865 1.00 15.30 N ATOM 1267 CA ASP A 86 22.617 -82.871 -3.718 1.00 63.23 C ATOM 1268 C ASP A 86 22.619 -81.409 -4.141 1.00 64.31 C ATOM 1269 O ASP A 86 21.801 -80.609 -3.686 1.00 72.04 O ATOM 1270 CB ASP A 86 23.611 -83.086 -2.567 1.00 35.40 C ATOM 1271 CG ASP A 86 23.395 -82.109 -1.416 1.00 14.31 C ATOM 1272 OD1 ASP A 86 22.502 -82.354 -0.578 1.00 32.10 O ATOM 1273 OD2 ASP A 86 24.124 -81.093 -1.342 1.00 61.35 O ATOM 0 H ASP A 86 23.814 -84.250 -4.752 1.00 15.30 H new ATOM 0 HA ASP A 86 21.623 -83.147 -3.364 1.00 63.23 H new ATOM 0 HB2 ASP A 86 23.516 -84.106 -2.195 1.00 35.40 H new ATOM 0 HB3 ASP A 86 24.628 -82.978 -2.945 1.00 35.40 H new ATOM 1278 N ALA A 87 23.548 -81.065 -5.020 1.00 21.34 N ATOM 1279 CA ALA A 87 23.592 -79.731 -5.595 1.00 34.53 C ATOM 1280 C ALA A 87 22.359 -79.484 -6.468 1.00 20.20 C ATOM 1281 O ALA A 87 21.814 -78.377 -6.504 1.00 62.15 O ATOM 1282 CB ALA A 87 24.869 -79.548 -6.395 1.00 10.13 C ATOM 0 H ALA A 87 24.282 -81.692 -5.350 1.00 21.34 H new ATOM 0 HA ALA A 87 23.586 -78.999 -4.787 1.00 34.53 H new ATOM 0 HB1 ALA A 87 24.891 -78.545 -6.821 1.00 10.13 H new ATOM 0 HB2 ALA A 87 25.731 -79.683 -5.741 1.00 10.13 H new ATOM 0 HB3 ALA A 87 24.904 -80.284 -7.198 1.00 10.13 H new ATOM 1288 N PHE A 88 21.908 -80.523 -7.159 1.00 23.24 N ATOM 1289 CA PHE A 88 20.739 -80.411 -8.023 1.00 53.22 C ATOM 1290 C PHE A 88 19.488 -80.131 -7.183 1.00 41.43 C ATOM 1291 O PHE A 88 18.705 -79.232 -7.496 1.00 24.23 O ATOM 1292 CB PHE A 88 20.555 -81.688 -8.857 1.00 13.44 C ATOM 1293 CG PHE A 88 19.710 -81.481 -10.088 1.00 60.45 C ATOM 1294 CD1 PHE A 88 20.295 -81.031 -11.263 1.00 2.04 C ATOM 1295 CD2 PHE A 88 18.342 -81.726 -10.074 1.00 41.43 C ATOM 1296 CE1 PHE A 88 19.539 -80.831 -12.398 1.00 65.45 C ATOM 1297 CE2 PHE A 88 17.579 -81.527 -11.210 1.00 43.45 C ATOM 1298 CZ PHE A 88 18.178 -81.078 -12.374 1.00 72.11 C ATOM 0 H PHE A 88 22.332 -81.450 -7.139 1.00 23.24 H new ATOM 0 HA PHE A 88 20.893 -79.578 -8.709 1.00 53.22 H new ATOM 0 HB2 PHE A 88 21.534 -82.062 -9.156 1.00 13.44 H new ATOM 0 HB3 PHE A 88 20.096 -82.457 -8.235 1.00 13.44 H new ATOM 0 HD1 PHE A 88 21.357 -80.835 -11.289 1.00 2.04 H new ATOM 0 HD2 PHE A 88 17.870 -82.075 -9.167 1.00 41.43 H new ATOM 0 HE1 PHE A 88 20.009 -80.482 -13.306 1.00 65.45 H new ATOM 0 HE2 PHE A 88 16.517 -81.722 -11.189 1.00 43.45 H new ATOM 0 HZ PHE A 88 17.584 -80.921 -13.262 1.00 72.11 H new ATOM 1308 N VAL A 89 19.315 -80.895 -6.104 1.00 5.13 N ATOM 1309 CA VAL A 89 18.190 -80.681 -5.190 1.00 63.22 C ATOM 1310 C VAL A 89 18.312 -79.314 -4.508 1.00 22.42 C ATOM 1311 O VAL A 89 17.305 -78.654 -4.239 1.00 63.11 O ATOM 1312 CB VAL A 89 18.058 -81.810 -4.126 1.00 62.24 C ATOM 1313 CG1 VAL A 89 19.185 -81.765 -3.101 1.00 41.30 C ATOM 1314 CG2 VAL A 89 16.694 -81.753 -3.440 1.00 71.34 C ATOM 0 H VAL A 89 19.934 -81.662 -5.842 1.00 5.13 H new ATOM 0 HA VAL A 89 17.281 -80.706 -5.791 1.00 63.22 H new ATOM 0 HB VAL A 89 18.140 -82.761 -4.652 1.00 62.24 H new ATOM 0 HG11 VAL A 89 19.052 -82.570 -2.379 1.00 41.30 H new ATOM 0 HG12 VAL A 89 20.143 -81.886 -3.608 1.00 41.30 H new ATOM 0 HG13 VAL A 89 19.167 -80.806 -2.583 1.00 41.30 H new ATOM 0 HG21 VAL A 89 16.625 -82.551 -2.701 1.00 71.34 H new ATOM 0 HG22 VAL A 89 16.576 -80.789 -2.945 1.00 71.34 H new ATOM 0 HG23 VAL A 89 15.907 -81.878 -4.184 1.00 71.34 H new ATOM 1324 N LYS A 90 19.557 -78.898 -4.239 1.00 72.24 N ATOM 1325 CA LYS A 90 19.846 -77.546 -3.748 1.00 63.21 C ATOM 1326 C LYS A 90 19.220 -76.520 -4.687 1.00 31.12 C ATOM 1327 O LYS A 90 18.516 -75.609 -4.252 1.00 14.12 O ATOM 1328 CB LYS A 90 21.378 -77.335 -3.631 1.00 12.24 C ATOM 1329 CG LYS A 90 21.848 -75.873 -3.479 1.00 73.32 C ATOM 1330 CD LYS A 90 22.085 -75.173 -4.833 1.00 40.24 C ATOM 1331 CE LYS A 90 23.179 -75.855 -5.661 1.00 1.53 C ATOM 1332 NZ LYS A 90 23.355 -75.230 -7.005 1.00 60.33 N ATOM 0 H LYS A 90 20.384 -79.484 -4.355 1.00 72.24 H new ATOM 0 HA LYS A 90 19.414 -77.418 -2.755 1.00 63.21 H new ATOM 0 HB2 LYS A 90 21.739 -77.903 -2.774 1.00 12.24 H new ATOM 0 HB3 LYS A 90 21.852 -77.758 -4.516 1.00 12.24 H new ATOM 0 HG2 LYS A 90 21.103 -75.314 -2.913 1.00 73.32 H new ATOM 0 HG3 LYS A 90 22.771 -75.852 -2.899 1.00 73.32 H new ATOM 0 HD2 LYS A 90 21.155 -75.164 -5.402 1.00 40.24 H new ATOM 0 HD3 LYS A 90 22.361 -74.133 -4.658 1.00 40.24 H new ATOM 0 HE2 LYS A 90 24.122 -75.810 -5.117 1.00 1.53 H new ATOM 0 HE3 LYS A 90 22.932 -76.909 -5.784 1.00 1.53 H new ATOM 0 HZ1 LYS A 90 23.726 -75.937 -7.671 1.00 60.33 H new ATOM 0 HZ2 LYS A 90 22.438 -74.880 -7.348 1.00 60.33 H new ATOM 0 HZ3 LYS A 90 24.024 -74.437 -6.934 1.00 60.33 H new ATOM 1346 N TYR A 91 19.470 -76.701 -5.979 1.00 10.11 N ATOM 1347 CA TYR A 91 18.912 -75.831 -7.008 1.00 12.44 C ATOM 1348 C TYR A 91 17.383 -75.885 -6.999 1.00 44.40 C ATOM 1349 O TYR A 91 16.713 -74.854 -7.080 1.00 2.03 O ATOM 1350 CB TYR A 91 19.458 -76.246 -8.382 1.00 54.24 C ATOM 1351 CG TYR A 91 18.729 -75.624 -9.558 1.00 52.31 C ATOM 1352 CD1 TYR A 91 18.963 -74.306 -9.938 1.00 71.31 C ATOM 1353 CD2 TYR A 91 17.802 -76.362 -10.286 1.00 52.30 C ATOM 1354 CE1 TYR A 91 18.293 -73.745 -11.008 1.00 23.41 C ATOM 1355 CE2 TYR A 91 17.132 -75.807 -11.355 1.00 24.51 C ATOM 1356 CZ TYR A 91 17.379 -74.500 -11.711 1.00 4.44 C ATOM 1357 OH TYR A 91 16.703 -73.949 -12.776 1.00 53.33 O ATOM 0 H TYR A 91 20.061 -77.449 -6.341 1.00 10.11 H new ATOM 0 HA TYR A 91 19.210 -74.803 -6.799 1.00 12.44 H new ATOM 0 HB2 TYR A 91 20.512 -75.974 -8.438 1.00 54.24 H new ATOM 0 HB3 TYR A 91 19.404 -77.331 -8.469 1.00 54.24 H new ATOM 0 HD1 TYR A 91 19.679 -73.713 -9.388 1.00 71.31 H new ATOM 0 HD2 TYR A 91 17.604 -77.387 -10.009 1.00 52.30 H new ATOM 0 HE1 TYR A 91 18.484 -72.721 -11.292 1.00 23.41 H new ATOM 0 HE2 TYR A 91 16.416 -76.395 -11.911 1.00 24.51 H new ATOM 0 HH TYR A 91 16.051 -73.296 -12.447 1.00 53.33 H new ATOM 1367 N LEU A 92 16.840 -77.093 -6.885 1.00 51.34 N ATOM 1368 CA LEU A 92 15.393 -77.295 -6.913 1.00 60.14 C ATOM 1369 C LEU A 92 14.732 -76.580 -5.728 1.00 5.34 C ATOM 1370 O LEU A 92 13.668 -75.976 -5.866 1.00 21.55 O ATOM 1371 CB LEU A 92 15.068 -78.803 -6.888 1.00 42.10 C ATOM 1372 CG LEU A 92 13.932 -79.258 -7.826 1.00 14.12 C ATOM 1373 CD1 LEU A 92 12.628 -78.519 -7.529 1.00 1.11 C ATOM 1374 CD2 LEU A 92 14.343 -79.075 -9.287 1.00 4.50 C ATOM 0 H LEU A 92 17.381 -77.950 -6.772 1.00 51.34 H new ATOM 0 HA LEU A 92 14.995 -76.870 -7.834 1.00 60.14 H new ATOM 0 HB2 LEU A 92 15.971 -79.355 -7.147 1.00 42.10 H new ATOM 0 HB3 LEU A 92 14.806 -79.082 -5.868 1.00 42.10 H new ATOM 0 HG LEU A 92 13.752 -80.318 -7.646 1.00 14.12 H new ATOM 0 HD11 LEU A 92 11.850 -78.866 -8.209 1.00 1.11 H new ATOM 0 HD12 LEU A 92 12.324 -78.716 -6.501 1.00 1.11 H new ATOM 0 HD13 LEU A 92 12.778 -77.448 -7.665 1.00 1.11 H new ATOM 0 HD21 LEU A 92 13.531 -79.401 -9.937 1.00 4.50 H new ATOM 0 HD22 LEU A 92 14.559 -78.023 -9.475 1.00 4.50 H new ATOM 0 HD23 LEU A 92 15.233 -79.670 -9.492 1.00 4.50 H new ATOM 1386 N HIS A 93 15.384 -76.644 -4.566 1.00 5.42 N ATOM 1387 CA HIS A 93 14.885 -75.998 -3.348 1.00 23.34 C ATOM 1388 C HIS A 93 14.896 -74.471 -3.465 1.00 11.23 C ATOM 1389 O HIS A 93 14.376 -73.775 -2.590 1.00 14.15 O ATOM 1390 CB HIS A 93 15.712 -76.436 -2.125 1.00 35.40 C ATOM 1391 CG HIS A 93 15.483 -77.862 -1.718 1.00 30.45 C ATOM 1392 ND1 HIS A 93 16.302 -78.538 -0.842 1.00 2.31 N ATOM 1393 CD2 HIS A 93 14.503 -78.733 -2.056 1.00 73.34 C ATOM 1394 CE1 HIS A 93 15.836 -79.759 -0.660 1.00 65.23 C ATOM 1395 NE2 HIS A 93 14.746 -79.904 -1.384 1.00 2.30 N ATOM 0 H HIS A 93 16.266 -77.141 -4.441 1.00 5.42 H new ATOM 0 HA HIS A 93 13.851 -76.316 -3.216 1.00 23.34 H new ATOM 0 HB2 HIS A 93 16.770 -76.296 -2.345 1.00 35.40 H new ATOM 0 HB3 HIS A 93 15.472 -75.785 -1.284 1.00 35.40 H new ATOM 0 HD2 HIS A 93 13.681 -78.541 -2.730 1.00 73.34 H new ATOM 0 HE1 HIS A 93 16.275 -80.513 -0.024 1.00 65.23 H new ATOM 0 HE2 HIS A 93 14.176 -80.748 -1.437 1.00 2.30 H new ATOM 1404 N LYS A 94 15.500 -73.951 -4.530 1.00 64.43 N ATOM 1405 CA LYS A 94 15.490 -72.511 -4.781 1.00 13.01 C ATOM 1406 C LYS A 94 14.206 -72.118 -5.505 1.00 4.10 C ATOM 1407 O LYS A 94 13.672 -71.026 -5.300 1.00 53.20 O ATOM 1408 CB LYS A 94 16.717 -72.085 -5.605 1.00 13.44 C ATOM 1409 CG LYS A 94 18.053 -72.466 -4.969 1.00 34.11 C ATOM 1410 CD LYS A 94 18.215 -71.892 -3.562 1.00 31.12 C ATOM 1411 CE LYS A 94 18.188 -70.367 -3.555 1.00 75.41 C ATOM 1412 NZ LYS A 94 18.452 -69.818 -2.199 1.00 1.31 N ATOM 0 H LYS A 94 16.000 -74.500 -5.229 1.00 64.43 H new ATOM 0 HA LYS A 94 15.532 -71.995 -3.822 1.00 13.01 H new ATOM 0 HB2 LYS A 94 16.654 -72.539 -6.594 1.00 13.44 H new ATOM 0 HB3 LYS A 94 16.689 -71.005 -5.748 1.00 13.44 H new ATOM 0 HG2 LYS A 94 18.135 -73.552 -4.927 1.00 34.11 H new ATOM 0 HG3 LYS A 94 18.867 -72.109 -5.600 1.00 34.11 H new ATOM 0 HD2 LYS A 94 17.417 -72.271 -2.923 1.00 31.12 H new ATOM 0 HD3 LYS A 94 19.156 -72.239 -3.136 1.00 31.12 H new ATOM 0 HE2 LYS A 94 18.934 -69.987 -4.253 1.00 75.41 H new ATOM 0 HE3 LYS A 94 17.216 -70.019 -3.906 1.00 75.41 H new ATOM 0 HZ1 LYS A 94 18.426 -68.779 -2.234 1.00 1.31 H new ATOM 0 HZ2 LYS A 94 17.726 -70.161 -1.538 1.00 1.31 H new ATOM 0 HZ3 LYS A 94 19.390 -70.130 -1.875 1.00 1.31 H new ATOM 1426 N GLY A 95 13.710 -73.032 -6.336 1.00 31.54 N ATOM 1427 CA GLY A 95 12.482 -72.796 -7.075 1.00 21.24 C ATOM 1428 C GLY A 95 12.630 -71.731 -8.148 1.00 10.52 C ATOM 1429 O GLY A 95 13.708 -71.161 -8.329 1.00 3.03 O ATOM 0 H GLY A 95 14.142 -73.939 -6.511 1.00 31.54 H new ATOM 0 HA2 GLY A 95 12.158 -73.728 -7.538 1.00 21.24 H new ATOM 0 HA3 GLY A 95 11.698 -72.497 -6.380 1.00 21.24 H new ATOM 1433 N SER A 96 11.546 -71.477 -8.869 1.00 75.45 N ATOM 1434 CA SER A 96 11.524 -70.456 -9.907 1.00 64.44 C ATOM 1435 C SER A 96 11.463 -69.054 -9.282 1.00 73.22 C ATOM 1436 O SER A 96 10.767 -68.847 -8.289 1.00 41.20 O ATOM 1437 CB SER A 96 10.331 -70.705 -10.835 1.00 73.31 C ATOM 1438 OG SER A 96 9.187 -71.079 -10.087 1.00 75.44 O ATOM 0 H SER A 96 10.661 -71.971 -8.751 1.00 75.45 H new ATOM 0 HA SER A 96 12.441 -70.512 -10.494 1.00 64.44 H new ATOM 0 HB2 SER A 96 10.117 -69.805 -11.411 1.00 73.31 H new ATOM 0 HB3 SER A 96 10.577 -71.490 -11.550 1.00 73.31 H new ATOM 0 HG SER A 96 8.968 -70.370 -9.447 1.00 75.44 H new ATOM 1444 N PRO A 97 12.187 -68.076 -9.865 1.00 15.32 N ATOM 1445 CA PRO A 97 12.326 -66.729 -9.286 1.00 63.34 C ATOM 1446 C PRO A 97 10.989 -66.003 -9.109 1.00 3.15 C ATOM 1447 O PRO A 97 10.650 -65.568 -8.010 1.00 13.01 O ATOM 1448 CB PRO A 97 13.217 -65.985 -10.299 1.00 53.52 C ATOM 1449 CG PRO A 97 13.912 -67.063 -11.063 1.00 13.42 C ATOM 1450 CD PRO A 97 12.936 -68.205 -11.127 1.00 51.42 C ATOM 0 HA PRO A 97 12.744 -66.774 -8.280 1.00 63.34 H new ATOM 0 HB2 PRO A 97 12.622 -65.353 -10.959 1.00 53.52 H new ATOM 0 HB3 PRO A 97 13.932 -65.335 -9.794 1.00 53.52 H new ATOM 0 HG2 PRO A 97 14.184 -66.723 -12.062 1.00 13.42 H new ATOM 0 HG3 PRO A 97 14.835 -67.363 -10.567 1.00 13.42 H new ATOM 0 HD2 PRO A 97 12.281 -68.127 -11.994 1.00 51.42 H new ATOM 0 HD3 PRO A 97 13.445 -69.166 -11.197 1.00 51.42 H new ATOM 1458 N LYS A 98 10.235 -65.870 -10.199 1.00 53.54 N ATOM 1459 CA LYS A 98 8.990 -65.097 -10.183 1.00 24.34 C ATOM 1460 C LYS A 98 7.773 -65.988 -9.940 1.00 74.31 C ATOM 1461 O LYS A 98 6.702 -65.503 -9.568 1.00 21.32 O ATOM 1462 CB LYS A 98 8.825 -64.340 -11.509 1.00 51.22 C ATOM 1463 CG LYS A 98 9.959 -63.362 -11.807 1.00 43.41 C ATOM 1464 CD LYS A 98 10.061 -62.263 -10.749 1.00 31.02 C ATOM 1465 CE LYS A 98 11.178 -61.271 -11.061 1.00 2.21 C ATOM 1466 NZ LYS A 98 12.509 -61.930 -11.153 1.00 75.23 N ATOM 0 H LYS A 98 10.462 -66.285 -11.103 1.00 53.54 H new ATOM 0 HA LYS A 98 9.053 -64.386 -9.359 1.00 24.34 H new ATOM 0 HB2 LYS A 98 8.758 -65.062 -12.323 1.00 51.22 H new ATOM 0 HB3 LYS A 98 7.882 -63.793 -11.489 1.00 51.22 H new ATOM 0 HG2 LYS A 98 10.903 -63.905 -11.857 1.00 43.41 H new ATOM 0 HG3 LYS A 98 9.799 -62.909 -12.786 1.00 43.41 H new ATOM 0 HD2 LYS A 98 9.111 -61.732 -10.686 1.00 31.02 H new ATOM 0 HD3 LYS A 98 10.239 -62.715 -9.773 1.00 31.02 H new ATOM 0 HE2 LYS A 98 10.960 -60.765 -12.002 1.00 2.21 H new ATOM 0 HE3 LYS A 98 11.207 -60.505 -10.286 1.00 2.21 H new ATOM 0 HZ1 LYS A 98 13.253 -61.205 -11.197 1.00 75.23 H new ATOM 0 HZ2 LYS A 98 12.658 -62.529 -10.316 1.00 75.23 H new ATOM 0 HZ3 LYS A 98 12.547 -62.517 -12.011 1.00 75.23 H new ATOM 1480 N SER A 99 7.941 -67.285 -10.146 1.00 22.33 N ATOM 1481 CA SER A 99 6.841 -68.233 -10.021 1.00 33.13 C ATOM 1482 C SER A 99 6.904 -68.948 -8.669 1.00 51.15 C ATOM 1483 O SER A 99 7.940 -69.496 -8.294 1.00 65.20 O ATOM 1484 CB SER A 99 6.903 -69.239 -11.176 1.00 24.15 C ATOM 1485 OG SER A 99 7.060 -68.567 -12.419 1.00 42.35 O ATOM 0 H SER A 99 8.833 -67.708 -10.402 1.00 22.33 H new ATOM 0 HA SER A 99 5.893 -67.697 -10.071 1.00 33.13 H new ATOM 0 HB2 SER A 99 7.734 -69.927 -11.021 1.00 24.15 H new ATOM 0 HB3 SER A 99 5.992 -69.838 -11.193 1.00 24.15 H new ATOM 0 HG SER A 99 7.099 -69.225 -13.144 1.00 42.35 H new ATOM 1491 N VAL A 100 5.796 -68.927 -7.934 1.00 74.22 N ATOM 1492 CA VAL A 100 5.728 -69.554 -6.616 1.00 45.42 C ATOM 1493 C VAL A 100 5.511 -71.053 -6.745 1.00 51.00 C ATOM 1494 O VAL A 100 4.707 -71.518 -7.556 1.00 74.34 O ATOM 1495 CB VAL A 100 4.598 -68.932 -5.751 1.00 21.34 C ATOM 1496 CG1 VAL A 100 4.544 -69.572 -4.361 1.00 13.01 C ATOM 1497 CG2 VAL A 100 4.770 -67.416 -5.648 1.00 20.43 C ATOM 0 H VAL A 100 4.928 -68.480 -8.230 1.00 74.22 H new ATOM 0 HA VAL A 100 6.681 -69.373 -6.119 1.00 45.42 H new ATOM 0 HB VAL A 100 3.648 -69.136 -6.245 1.00 21.34 H new ATOM 0 HG11 VAL A 100 3.743 -69.115 -3.781 1.00 13.01 H new ATOM 0 HG12 VAL A 100 4.356 -70.641 -4.460 1.00 13.01 H new ATOM 0 HG13 VAL A 100 5.495 -69.417 -3.852 1.00 13.01 H new ATOM 0 HG21 VAL A 100 3.968 -66.999 -5.038 1.00 20.43 H new ATOM 0 HG22 VAL A 100 5.732 -67.189 -5.188 1.00 20.43 H new ATOM 0 HG23 VAL A 100 4.733 -66.977 -6.645 1.00 20.43 H new ATOM 1507 N VAL A 101 6.250 -71.790 -5.935 1.00 73.33 N ATOM 1508 CA VAL A 101 6.218 -73.241 -5.930 1.00 33.12 C ATOM 1509 C VAL A 101 5.221 -73.738 -4.881 1.00 14.21 C ATOM 1510 O VAL A 101 4.991 -73.072 -3.870 1.00 71.23 O ATOM 1511 CB VAL A 101 7.647 -73.794 -5.657 1.00 1.53 C ATOM 1512 CG1 VAL A 101 7.698 -74.670 -4.409 1.00 0.11 C ATOM 1513 CG2 VAL A 101 8.177 -74.539 -6.877 1.00 23.20 C ATOM 0 H VAL A 101 6.897 -71.392 -5.254 1.00 73.33 H new ATOM 0 HA VAL A 101 5.890 -73.604 -6.904 1.00 33.12 H new ATOM 0 HB VAL A 101 8.296 -72.939 -5.467 1.00 1.53 H new ATOM 0 HG11 VAL A 101 8.715 -75.032 -4.260 1.00 0.11 H new ATOM 0 HG12 VAL A 101 7.390 -74.086 -3.542 1.00 0.11 H new ATOM 0 HG13 VAL A 101 7.025 -75.519 -4.532 1.00 0.11 H new ATOM 0 HG21 VAL A 101 9.177 -74.918 -6.666 1.00 23.20 H new ATOM 0 HG22 VAL A 101 7.515 -75.373 -7.110 1.00 23.20 H new ATOM 0 HG23 VAL A 101 8.219 -73.860 -7.728 1.00 23.20 H new ATOM 1523 N LYS A 102 4.612 -74.887 -5.147 1.00 25.24 N ATOM 1524 CA LYS A 102 3.640 -75.490 -4.235 1.00 22.23 C ATOM 1525 C LYS A 102 4.333 -76.487 -3.301 1.00 52.51 C ATOM 1526 O LYS A 102 4.230 -76.380 -2.075 1.00 64.20 O ATOM 1527 CB LYS A 102 2.533 -76.202 -5.037 1.00 14.41 C ATOM 1528 CG LYS A 102 1.441 -76.851 -4.182 1.00 2.24 C ATOM 1529 CD LYS A 102 0.469 -75.820 -3.608 1.00 35.55 C ATOM 1530 CE LYS A 102 -0.358 -75.143 -4.701 1.00 34.44 C ATOM 1531 NZ LYS A 102 -1.183 -76.116 -5.464 1.00 11.03 N ATOM 0 H LYS A 102 4.775 -75.427 -5.997 1.00 25.24 H new ATOM 0 HA LYS A 102 3.191 -74.700 -3.633 1.00 22.23 H new ATOM 0 HB2 LYS A 102 2.069 -75.480 -5.709 1.00 14.41 H new ATOM 0 HB3 LYS A 102 2.991 -76.969 -5.661 1.00 14.41 H new ATOM 0 HG2 LYS A 102 0.889 -77.572 -4.786 1.00 2.24 H new ATOM 0 HG3 LYS A 102 1.903 -77.406 -3.366 1.00 2.24 H new ATOM 0 HD2 LYS A 102 -0.199 -76.307 -2.897 1.00 35.55 H new ATOM 0 HD3 LYS A 102 1.027 -75.064 -3.055 1.00 35.55 H new ATOM 0 HE2 LYS A 102 -1.008 -74.393 -4.251 1.00 34.44 H new ATOM 0 HE3 LYS A 102 0.308 -74.618 -5.386 1.00 34.44 H new ATOM 0 HZ1 LYS A 102 -1.872 -75.603 -6.050 1.00 11.03 H new ATOM 0 HZ2 LYS A 102 -0.567 -76.689 -6.076 1.00 11.03 H new ATOM 0 HZ3 LYS A 102 -1.688 -76.738 -4.801 1.00 11.03 H new ATOM 1545 N LYS A 103 5.045 -77.450 -3.888 1.00 12.03 N ATOM 1546 CA LYS A 103 5.683 -78.521 -3.125 1.00 72.44 C ATOM 1547 C LYS A 103 6.764 -79.198 -3.965 1.00 14.24 C ATOM 1548 O LYS A 103 6.608 -79.338 -5.175 1.00 53.50 O ATOM 1549 CB LYS A 103 4.631 -79.564 -2.715 1.00 61.22 C ATOM 1550 CG LYS A 103 5.166 -80.678 -1.814 1.00 3.35 C ATOM 1551 CD LYS A 103 4.155 -81.813 -1.645 1.00 22.31 C ATOM 1552 CE LYS A 103 2.803 -81.310 -1.149 1.00 15.43 C ATOM 1553 NZ LYS A 103 2.898 -80.655 0.182 1.00 35.52 N ATOM 0 H LYS A 103 5.194 -77.509 -4.895 1.00 12.03 H new ATOM 0 HA LYS A 103 6.140 -78.091 -2.234 1.00 72.44 H new ATOM 0 HB2 LYS A 103 3.815 -79.057 -2.200 1.00 61.22 H new ATOM 0 HB3 LYS A 103 4.210 -80.012 -3.615 1.00 61.22 H new ATOM 0 HG2 LYS A 103 6.089 -81.075 -2.237 1.00 3.35 H new ATOM 0 HG3 LYS A 103 5.415 -80.265 -0.836 1.00 3.35 H new ATOM 0 HD2 LYS A 103 4.023 -82.325 -2.598 1.00 22.31 H new ATOM 0 HD3 LYS A 103 4.549 -82.546 -0.941 1.00 22.31 H new ATOM 0 HE2 LYS A 103 2.394 -80.603 -1.871 1.00 15.43 H new ATOM 0 HE3 LYS A 103 2.106 -82.146 -1.091 1.00 15.43 H new ATOM 0 HZ1 LYS A 103 1.946 -80.391 0.508 1.00 35.52 H new ATOM 0 HZ2 LYS A 103 3.326 -81.314 0.863 1.00 35.52 H new ATOM 0 HZ3 LYS A 103 3.488 -79.802 0.108 1.00 35.52 H new ATOM 1567 N VAL A 104 7.850 -79.620 -3.325 1.00 20.25 N ATOM 1568 CA VAL A 104 8.892 -80.390 -4.002 1.00 63.52 C ATOM 1569 C VAL A 104 8.934 -81.808 -3.429 1.00 23.40 C ATOM 1570 O VAL A 104 8.847 -81.999 -2.211 1.00 41.12 O ATOM 1571 CB VAL A 104 10.291 -79.708 -3.891 1.00 12.25 C ATOM 1572 CG1 VAL A 104 10.722 -79.527 -2.439 1.00 24.45 C ATOM 1573 CG2 VAL A 104 11.345 -80.493 -4.673 1.00 13.11 C ATOM 0 H VAL A 104 8.033 -79.442 -2.337 1.00 20.25 H new ATOM 0 HA VAL A 104 8.645 -80.433 -5.063 1.00 63.52 H new ATOM 0 HB VAL A 104 10.201 -78.715 -4.332 1.00 12.25 H new ATOM 0 HG11 VAL A 104 11.701 -79.049 -2.407 1.00 24.45 H new ATOM 0 HG12 VAL A 104 9.996 -78.902 -1.919 1.00 24.45 H new ATOM 0 HG13 VAL A 104 10.778 -80.501 -1.952 1.00 24.45 H new ATOM 0 HG21 VAL A 104 12.311 -79.997 -4.580 1.00 13.11 H new ATOM 0 HG22 VAL A 104 11.416 -81.505 -4.273 1.00 13.11 H new ATOM 0 HG23 VAL A 104 11.060 -80.538 -5.724 1.00 13.11 H new ATOM 1583 N SER A 105 9.030 -82.800 -4.309 1.00 70.15 N ATOM 1584 CA SER A 105 9.031 -84.203 -3.909 1.00 14.10 C ATOM 1585 C SER A 105 10.083 -84.979 -4.698 1.00 74.04 C ATOM 1586 O SER A 105 10.282 -84.732 -5.890 1.00 24.02 O ATOM 1587 CB SER A 105 7.642 -84.814 -4.131 1.00 4.52 C ATOM 1588 OG SER A 105 6.662 -84.175 -3.320 1.00 72.03 O ATOM 0 H SER A 105 9.109 -82.655 -5.316 1.00 70.15 H new ATOM 0 HA SER A 105 9.277 -84.265 -2.849 1.00 14.10 H new ATOM 0 HB2 SER A 105 7.365 -84.722 -5.181 1.00 4.52 H new ATOM 0 HB3 SER A 105 7.670 -85.879 -3.901 1.00 4.52 H new ATOM 0 HG SER A 105 5.786 -84.583 -3.483 1.00 72.03 H new ATOM 1594 N ILE A 106 10.766 -85.898 -4.018 1.00 60.24 N ATOM 1595 CA ILE A 106 11.818 -86.707 -4.634 1.00 10.30 C ATOM 1596 C ILE A 106 11.470 -88.194 -4.497 1.00 61.14 C ATOM 1597 O ILE A 106 10.632 -88.562 -3.671 1.00 52.41 O ATOM 1598 CB ILE A 106 13.201 -86.442 -3.971 1.00 72.12 C ATOM 1599 CG1 ILE A 106 13.373 -84.953 -3.611 1.00 61.14 C ATOM 1600 CG2 ILE A 106 14.322 -86.884 -4.904 1.00 61.45 C ATOM 1601 CD1 ILE A 106 13.397 -84.021 -4.805 1.00 61.02 C ATOM 0 H ILE A 106 10.608 -86.103 -3.031 1.00 60.24 H new ATOM 0 HA ILE A 106 11.883 -86.430 -5.686 1.00 10.30 H new ATOM 0 HB ILE A 106 13.248 -87.021 -3.049 1.00 72.12 H new ATOM 0 HG12 ILE A 106 12.560 -84.655 -2.949 1.00 61.14 H new ATOM 0 HG13 ILE A 106 14.300 -84.831 -3.051 1.00 61.14 H new ATOM 0 HG21 ILE A 106 15.285 -86.694 -4.431 1.00 61.45 H new ATOM 0 HG22 ILE A 106 14.223 -87.949 -5.112 1.00 61.45 H new ATOM 0 HG23 ILE A 106 14.260 -86.325 -5.838 1.00 61.45 H new ATOM 0 HD11 ILE A 106 13.521 -82.994 -4.462 1.00 61.02 H new ATOM 0 HD12 ILE A 106 14.227 -84.288 -5.459 1.00 61.02 H new ATOM 0 HD13 ILE A 106 12.460 -84.109 -5.354 1.00 61.02 H new ATOM 1613 N HIS A 107 12.102 -89.049 -5.300 1.00 62.33 N ATOM 1614 CA HIS A 107 11.858 -90.490 -5.226 1.00 42.21 C ATOM 1615 C HIS A 107 13.158 -91.270 -5.445 1.00 3.14 C ATOM 1616 O HIS A 107 14.025 -90.852 -6.212 1.00 44.31 O ATOM 1617 CB HIS A 107 10.796 -90.912 -6.253 1.00 1.15 C ATOM 1618 CG HIS A 107 10.197 -92.265 -5.990 1.00 52.33 C ATOM 1619 ND1 HIS A 107 8.963 -92.437 -5.407 1.00 63.51 N ATOM 1620 CD2 HIS A 107 10.673 -93.510 -6.228 1.00 51.43 C ATOM 1621 CE1 HIS A 107 8.708 -93.726 -5.295 1.00 61.40 C ATOM 1622 NE2 HIS A 107 9.728 -94.401 -5.786 1.00 21.31 N ATOM 0 H HIS A 107 12.784 -88.771 -6.006 1.00 62.33 H new ATOM 0 HA HIS A 107 11.483 -90.722 -4.229 1.00 42.21 H new ATOM 0 HB2 HIS A 107 9.999 -90.169 -6.263 1.00 1.15 H new ATOM 0 HB3 HIS A 107 11.245 -90.911 -7.246 1.00 1.15 H new ATOM 0 HD2 HIS A 107 11.622 -93.756 -6.682 1.00 51.43 H new ATOM 0 HE1 HIS A 107 7.813 -94.157 -4.872 1.00 61.40 H new ATOM 0 HE2 HIS A 107 9.802 -95.417 -5.830 1.00 21.31 H new ATOM 1631 N ALA A 108 13.246 -92.421 -4.789 1.00 62.21 N ATOM 1632 CA ALA A 108 14.447 -93.266 -4.742 1.00 71.54 C ATOM 1633 C ALA A 108 14.795 -93.940 -6.077 1.00 51.20 C ATOM 1634 O ALA A 108 15.702 -94.772 -6.120 1.00 13.21 O ATOM 1635 CB ALA A 108 14.302 -94.310 -3.641 1.00 1.01 C ATOM 0 H ALA A 108 12.466 -92.808 -4.258 1.00 62.21 H new ATOM 0 HA ALA A 108 15.281 -92.599 -4.524 1.00 71.54 H new ATOM 0 HB1 ALA A 108 15.195 -94.934 -3.611 1.00 1.01 H new ATOM 0 HB2 ALA A 108 14.176 -93.811 -2.680 1.00 1.01 H new ATOM 0 HB3 ALA A 108 13.431 -94.933 -3.843 1.00 1.01 H new ATOM 1641 N SER A 109 14.075 -93.618 -7.150 1.00 22.12 N ATOM 1642 CA SER A 109 14.165 -94.382 -8.396 1.00 13.31 C ATOM 1643 C SER A 109 15.593 -94.389 -8.960 1.00 70.35 C ATOM 1644 O SER A 109 16.224 -93.340 -9.098 1.00 20.01 O ATOM 1645 CB SER A 109 13.215 -93.779 -9.435 1.00 75.32 C ATOM 1646 OG SER A 109 11.881 -93.726 -8.948 1.00 74.32 O ATOM 0 H SER A 109 13.423 -92.834 -7.183 1.00 22.12 H new ATOM 0 HA SER A 109 13.884 -95.412 -8.176 1.00 13.31 H new ATOM 0 HB2 SER A 109 13.549 -92.775 -9.696 1.00 75.32 H new ATOM 0 HB3 SER A 109 13.247 -94.373 -10.348 1.00 75.32 H new ATOM 0 HG SER A 109 11.298 -93.335 -9.632 1.00 74.32 H new ATOM 1652 N SER A 110 16.074 -95.592 -9.286 1.00 53.15 N ATOM 1653 CA SER A 110 17.451 -95.817 -9.718 1.00 44.34 C ATOM 1654 C SER A 110 17.661 -95.414 -11.182 1.00 21.33 C ATOM 1655 O SER A 110 16.727 -94.981 -11.859 1.00 40.12 O ATOM 1656 CB SER A 110 17.833 -97.289 -9.507 1.00 20.12 C ATOM 1657 OG SER A 110 19.213 -97.512 -9.762 1.00 61.20 O ATOM 0 H SER A 110 15.512 -96.442 -9.256 1.00 53.15 H new ATOM 0 HA SER A 110 18.100 -95.186 -9.110 1.00 44.34 H new ATOM 0 HB2 SER A 110 17.599 -97.583 -8.484 1.00 20.12 H new ATOM 0 HB3 SER A 110 17.234 -97.919 -10.165 1.00 20.12 H new ATOM 0 HG SER A 110 19.424 -98.458 -9.617 1.00 61.20 H new ATOM 1663 N ARG A 111 18.909 -95.565 -11.645 1.00 10.21 N ATOM 1664 CA ARG A 111 19.354 -95.099 -12.963 1.00 70.34 C ATOM 1665 C ARG A 111 18.383 -95.492 -14.081 1.00 33.55 C ATOM 1666 O ARG A 111 17.977 -96.651 -14.196 1.00 43.23 O ATOM 1667 CB ARG A 111 20.765 -95.642 -13.258 1.00 25.13 C ATOM 1668 CG ARG A 111 21.369 -95.146 -14.573 1.00 15.51 C ATOM 1669 CD ARG A 111 22.814 -95.609 -14.748 1.00 32.52 C ATOM 1670 NE ARG A 111 22.924 -97.069 -14.784 1.00 21.10 N ATOM 1671 CZ ARG A 111 23.967 -97.761 -14.320 1.00 63.31 C ATOM 1672 NH1 ARG A 111 25.023 -97.132 -13.813 1.00 42.52 N ATOM 1673 NH2 ARG A 111 23.957 -99.085 -14.384 1.00 12.12 N ATOM 0 H ARG A 111 19.646 -96.020 -11.107 1.00 10.21 H new ATOM 0 HA ARG A 111 19.379 -94.010 -12.936 1.00 70.34 H new ATOM 0 HB2 ARG A 111 21.428 -95.362 -12.439 1.00 25.13 H new ATOM 0 HB3 ARG A 111 20.725 -96.731 -13.278 1.00 25.13 H new ATOM 0 HG2 ARG A 111 20.768 -95.508 -15.407 1.00 15.51 H new ATOM 0 HG3 ARG A 111 21.331 -94.057 -14.602 1.00 15.51 H new ATOM 0 HD2 ARG A 111 23.218 -95.193 -15.671 1.00 32.52 H new ATOM 0 HD3 ARG A 111 23.420 -95.220 -13.930 1.00 32.52 H new ATOM 0 HE ARG A 111 22.150 -97.593 -15.192 1.00 21.10 H new ATOM 0 HH11 ARG A 111 25.040 -96.113 -13.776 1.00 42.52 H new ATOM 0 HH12 ARG A 111 25.816 -97.669 -13.461 1.00 42.52 H new ATOM 0 HH21 ARG A 111 23.155 -99.570 -14.786 1.00 12.12 H new ATOM 0 HH22 ARG A 111 24.751 -99.619 -14.031 1.00 12.12 H new ATOM 1687 N VAL A 112 18.030 -94.505 -14.900 1.00 42.33 N ATOM 1688 CA VAL A 112 17.081 -94.675 -16.001 1.00 22.53 C ATOM 1689 C VAL A 112 17.678 -94.130 -17.298 1.00 21.24 C ATOM 1690 O VAL A 112 18.798 -93.607 -17.302 1.00 51.15 O ATOM 1691 CB VAL A 112 15.745 -93.945 -15.715 1.00 42.34 C ATOM 1692 CG1 VAL A 112 15.042 -94.533 -14.490 1.00 12.25 C ATOM 1693 CG2 VAL A 112 15.986 -92.445 -15.535 1.00 12.43 C ATOM 0 H VAL A 112 18.396 -93.556 -14.819 1.00 42.33 H new ATOM 0 HA VAL A 112 16.881 -95.742 -16.101 1.00 22.53 H new ATOM 0 HB VAL A 112 15.089 -94.091 -16.573 1.00 42.34 H new ATOM 0 HG11 VAL A 112 14.108 -93.999 -14.316 1.00 12.25 H new ATOM 0 HG12 VAL A 112 14.830 -95.588 -14.664 1.00 12.25 H new ATOM 0 HG13 VAL A 112 15.686 -94.431 -13.617 1.00 12.25 H new ATOM 0 HG21 VAL A 112 15.038 -91.946 -15.335 1.00 12.43 H new ATOM 0 HG22 VAL A 112 16.665 -92.283 -14.698 1.00 12.43 H new ATOM 0 HG23 VAL A 112 16.427 -92.036 -16.444 1.00 12.43 H new ATOM 1703 N ASP A 113 16.950 -94.288 -18.402 1.00 71.41 N ATOM 1704 CA ASP A 113 17.365 -93.717 -19.683 1.00 61.45 C ATOM 1705 C ASP A 113 17.122 -92.210 -19.688 1.00 54.52 C ATOM 1706 O ASP A 113 15.977 -91.754 -19.615 1.00 71.24 O ATOM 1707 CB ASP A 113 16.616 -94.370 -20.855 1.00 13.55 C ATOM 1708 CG ASP A 113 17.032 -95.813 -21.094 1.00 74.32 C ATOM 1709 OD1 ASP A 113 18.148 -96.038 -21.616 1.00 41.05 O ATOM 1710 OD2 ASP A 113 16.240 -96.730 -20.773 1.00 52.52 O ATOM 0 H ASP A 113 16.072 -94.805 -18.436 1.00 71.41 H new ATOM 0 HA ASP A 113 18.430 -93.914 -19.809 1.00 61.45 H new ATOM 0 HB2 ASP A 113 15.544 -94.334 -20.660 1.00 13.55 H new ATOM 0 HB3 ASP A 113 16.794 -93.791 -21.761 1.00 13.55 H new ATOM 1715 N ALA A 114 18.205 -91.447 -19.754 1.00 61.52 N ATOM 1716 CA ALA A 114 18.133 -89.992 -19.812 1.00 14.04 C ATOM 1717 C ALA A 114 17.844 -89.527 -21.236 1.00 42.21 C ATOM 1718 O ALA A 114 17.902 -90.330 -22.173 1.00 32.43 O ATOM 1719 CB ALA A 114 19.444 -89.391 -19.320 1.00 51.25 C ATOM 0 H ALA A 114 19.155 -91.817 -19.769 1.00 61.52 H new ATOM 0 HA ALA A 114 17.321 -89.655 -19.168 1.00 14.04 H new ATOM 0 HB1 ALA A 114 19.385 -88.304 -19.365 1.00 51.25 H new ATOM 0 HB2 ALA A 114 19.623 -89.702 -18.291 1.00 51.25 H new ATOM 0 HB3 ALA A 114 20.262 -89.737 -19.951 1.00 51.25 H new ATOM 1725 N ASP A 115 17.542 -88.237 -21.400 1.00 54.31 N ATOM 1726 CA ASP A 115 17.350 -87.669 -22.738 1.00 31.20 C ATOM 1727 C ASP A 115 17.531 -86.151 -22.720 1.00 74.33 C ATOM 1728 O ASP A 115 18.194 -85.595 -23.596 1.00 33.11 O ATOM 1729 CB ASP A 115 15.977 -88.054 -23.337 1.00 63.02 C ATOM 1730 CG ASP A 115 14.838 -87.105 -22.971 1.00 34.15 C ATOM 1731 OD1 ASP A 115 14.657 -86.087 -23.674 1.00 60.54 O ATOM 1732 OD2 ASP A 115 14.108 -87.382 -21.998 1.00 71.54 O ATOM 0 H ASP A 115 17.426 -87.573 -20.635 1.00 54.31 H new ATOM 0 HA ASP A 115 18.117 -88.097 -23.383 1.00 31.20 H new ATOM 0 HB2 ASP A 115 16.066 -88.092 -24.423 1.00 63.02 H new ATOM 0 HB3 ASP A 115 15.718 -89.059 -23.003 1.00 63.02 H new ATOM 1737 N GLY A 116 16.958 -85.480 -21.723 1.00 25.12 N ATOM 1738 CA GLY A 116 17.095 -84.035 -21.644 1.00 51.02 C ATOM 1739 C GLY A 116 16.108 -83.380 -20.689 1.00 52.42 C ATOM 1740 O GLY A 116 15.025 -83.912 -20.410 1.00 24.24 O ATOM 0 H GLY A 116 16.408 -85.905 -20.977 1.00 25.12 H new ATOM 0 HA2 GLY A 116 18.109 -83.792 -21.328 1.00 51.02 H new ATOM 0 HA3 GLY A 116 16.961 -83.611 -22.639 1.00 51.02 H new ATOM 1744 N PHE A 117 16.484 -82.218 -20.185 1.00 5.24 N ATOM 1745 CA PHE A 117 15.638 -81.464 -19.275 1.00 2.31 C ATOM 1746 C PHE A 117 14.885 -80.394 -20.061 1.00 32.41 C ATOM 1747 O PHE A 117 15.505 -79.447 -20.563 1.00 0.02 O ATOM 1748 CB PHE A 117 16.500 -80.800 -18.185 1.00 64.33 C ATOM 1749 CG PHE A 117 17.430 -81.751 -17.459 1.00 64.31 C ATOM 1750 CD1 PHE A 117 18.580 -82.225 -18.077 1.00 52.42 C ATOM 1751 CD2 PHE A 117 17.156 -82.167 -16.164 1.00 54.12 C ATOM 1752 CE1 PHE A 117 19.432 -83.091 -17.418 1.00 24.34 C ATOM 1753 CE2 PHE A 117 18.004 -83.033 -15.501 1.00 3.23 C ATOM 1754 CZ PHE A 117 19.144 -83.496 -16.130 1.00 43.44 C ATOM 0 H PHE A 117 17.378 -81.772 -20.393 1.00 5.24 H new ATOM 0 HA PHE A 117 14.926 -82.138 -18.799 1.00 2.31 H new ATOM 0 HB2 PHE A 117 17.093 -80.007 -18.641 1.00 64.33 H new ATOM 0 HB3 PHE A 117 15.842 -80.327 -17.456 1.00 64.33 H new ATOM 0 HD1 PHE A 117 18.811 -81.913 -19.085 1.00 52.42 H new ATOM 0 HD2 PHE A 117 16.267 -81.809 -15.667 1.00 54.12 H new ATOM 0 HE1 PHE A 117 20.323 -83.451 -17.911 1.00 24.34 H new ATOM 0 HE2 PHE A 117 17.776 -83.347 -14.493 1.00 3.23 H new ATOM 0 HZ PHE A 117 19.809 -84.174 -15.615 1.00 43.44 H new ATOM 1764 N GLU A 118 13.564 -80.532 -20.178 1.00 33.04 N ATOM 1765 CA GLU A 118 12.761 -79.528 -20.872 1.00 23.02 C ATOM 1766 C GLU A 118 11.292 -79.665 -20.503 1.00 63.02 C ATOM 1767 O GLU A 118 10.759 -80.768 -20.425 1.00 13.12 O ATOM 1768 CB GLU A 118 12.942 -79.632 -22.394 1.00 70.42 C ATOM 1769 CG GLU A 118 12.555 -80.984 -22.983 1.00 51.04 C ATOM 1770 CD GLU A 118 12.669 -81.011 -24.498 1.00 53.34 C ATOM 1771 OE1 GLU A 118 11.677 -80.679 -25.181 1.00 62.15 O ATOM 1772 OE2 GLU A 118 13.757 -81.344 -25.016 1.00 71.34 O ATOM 0 H GLU A 118 13.033 -81.320 -19.806 1.00 33.04 H new ATOM 0 HA GLU A 118 13.108 -78.545 -20.554 1.00 23.02 H new ATOM 0 HB2 GLU A 118 12.344 -78.856 -22.873 1.00 70.42 H new ATOM 0 HB3 GLU A 118 13.984 -79.428 -22.639 1.00 70.42 H new ATOM 0 HG2 GLU A 118 13.195 -81.758 -22.560 1.00 51.04 H new ATOM 0 HG3 GLU A 118 11.532 -81.223 -22.694 1.00 51.04 H new ATOM 1779 N ILE A 119 10.636 -78.537 -20.279 1.00 14.51 N ATOM 1780 CA ILE A 119 9.249 -78.541 -19.850 1.00 51.30 C ATOM 1781 C ILE A 119 8.347 -79.023 -20.986 1.00 62.21 C ATOM 1782 O ILE A 119 7.843 -78.234 -21.788 1.00 44.42 O ATOM 1783 CB ILE A 119 8.818 -77.134 -19.357 1.00 2.53 C ATOM 1784 CG1 ILE A 119 9.832 -76.605 -18.323 1.00 24.02 C ATOM 1785 CG2 ILE A 119 7.408 -77.164 -18.769 1.00 53.12 C ATOM 1786 CD1 ILE A 119 10.155 -77.587 -17.209 1.00 71.13 C ATOM 0 H ILE A 119 11.043 -77.608 -20.388 1.00 14.51 H new ATOM 0 HA ILE A 119 9.147 -79.231 -19.012 1.00 51.30 H new ATOM 0 HB ILE A 119 8.803 -76.458 -20.212 1.00 2.53 H new ATOM 0 HG12 ILE A 119 10.755 -76.341 -18.838 1.00 24.02 H new ATOM 0 HG13 ILE A 119 9.440 -75.689 -17.882 1.00 24.02 H new ATOM 0 HG21 ILE A 119 7.133 -76.165 -18.432 1.00 53.12 H new ATOM 0 HG22 ILE A 119 6.703 -77.497 -19.531 1.00 53.12 H new ATOM 0 HG23 ILE A 119 7.381 -77.852 -17.924 1.00 53.12 H new ATOM 0 HD11 ILE A 119 10.875 -77.138 -16.525 1.00 71.13 H new ATOM 0 HD12 ILE A 119 9.243 -77.833 -16.665 1.00 71.13 H new ATOM 0 HD13 ILE A 119 10.579 -78.496 -17.637 1.00 71.13 H new ATOM 1798 N ARG A 120 8.199 -80.339 -21.061 1.00 2.03 N ATOM 1799 CA ARG A 120 7.363 -80.981 -22.067 1.00 61.44 C ATOM 1800 C ARG A 120 5.919 -81.049 -21.609 1.00 32.31 C ATOM 1801 O ARG A 120 5.638 -81.352 -20.452 1.00 1.25 O ATOM 1802 CB ARG A 120 7.882 -82.393 -22.361 1.00 4.12 C ATOM 1803 CG ARG A 120 9.027 -82.427 -23.355 1.00 2.23 C ATOM 1804 CD ARG A 120 9.594 -83.834 -23.504 1.00 30.01 C ATOM 1805 NE ARG A 120 10.740 -83.871 -24.414 1.00 3.51 N ATOM 1806 CZ ARG A 120 11.867 -84.547 -24.178 1.00 12.41 C ATOM 1807 NH1 ARG A 120 12.027 -85.217 -23.042 1.00 3.32 N ATOM 1808 NH2 ARG A 120 12.840 -84.547 -25.074 1.00 2.32 N ATOM 0 H ARG A 120 8.656 -80.993 -20.425 1.00 2.03 H new ATOM 0 HA ARG A 120 7.408 -80.383 -22.978 1.00 61.44 H new ATOM 0 HB2 ARG A 120 8.209 -82.852 -21.428 1.00 4.12 H new ATOM 0 HB3 ARG A 120 7.062 -83.000 -22.744 1.00 4.12 H new ATOM 0 HG2 ARG A 120 8.680 -82.069 -24.324 1.00 2.23 H new ATOM 0 HG3 ARG A 120 9.815 -81.749 -23.028 1.00 2.23 H new ATOM 0 HD2 ARG A 120 9.896 -84.208 -22.526 1.00 30.01 H new ATOM 0 HD3 ARG A 120 8.816 -84.501 -23.874 1.00 30.01 H new ATOM 0 HE ARG A 120 10.673 -83.346 -25.286 1.00 3.51 H new ATOM 0 HH11 ARG A 120 11.285 -85.218 -22.342 1.00 3.32 H new ATOM 0 HH12 ARG A 120 12.891 -85.731 -22.870 1.00 3.32 H new ATOM 0 HH21 ARG A 120 12.730 -84.030 -25.946 1.00 2.32 H new ATOM 0 HH22 ARG A 120 13.700 -85.064 -24.892 1.00 2.32 H new ATOM 1822 N ARG A 121 5.014 -80.773 -22.529 1.00 14.01 N ATOM 1823 CA ARG A 121 3.587 -80.781 -22.243 1.00 75.33 C ATOM 1824 C ARG A 121 2.867 -81.643 -23.272 1.00 64.21 C ATOM 1825 O ARG A 121 2.635 -82.836 -22.990 1.00 51.44 O ATOM 1826 CB ARG A 121 3.021 -79.348 -22.243 1.00 72.42 C ATOM 1827 CG ARG A 121 3.702 -78.411 -21.247 1.00 14.51 C ATOM 1828 CD ARG A 121 3.023 -77.048 -21.198 1.00 12.45 C ATOM 1829 NE ARG A 121 1.634 -77.149 -20.744 1.00 4.53 N ATOM 1830 CZ ARG A 121 0.741 -76.162 -20.826 1.00 42.14 C ATOM 1831 NH1 ARG A 121 1.071 -75.000 -21.366 1.00 1.44 N ATOM 1832 NH2 ARG A 121 -0.489 -76.348 -20.370 1.00 65.01 N ATOM 1833 OXT ARG A 121 2.561 -81.133 -24.370 1.00 0.00 O ATOM 0 H ARG A 121 5.244 -80.537 -23.494 1.00 14.01 H new ATOM 0 HA ARG A 121 3.427 -81.202 -21.250 1.00 75.33 H new ATOM 0 HB2 ARG A 121 3.119 -78.930 -23.245 1.00 72.42 H new ATOM 0 HB3 ARG A 121 1.955 -79.389 -22.017 1.00 72.42 H new ATOM 0 HG2 ARG A 121 3.686 -78.861 -20.254 1.00 14.51 H new ATOM 0 HG3 ARG A 121 4.749 -78.286 -21.523 1.00 14.51 H new ATOM 0 HD2 ARG A 121 3.577 -76.390 -20.529 1.00 12.45 H new ATOM 0 HD3 ARG A 121 3.050 -76.593 -22.188 1.00 12.45 H new ATOM 0 HE ARG A 121 1.329 -78.034 -20.338 1.00 4.53 H new ATOM 0 HH11 ARG A 121 2.015 -74.854 -21.724 1.00 1.44 H new ATOM 0 HH12 ARG A 121 0.381 -74.251 -21.425 1.00 1.44 H new ATOM 0 HH21 ARG A 121 -0.750 -77.244 -19.958 1.00 65.01 H new ATOM 0 HH22 ARG A 121 -1.175 -75.595 -20.431 1.00 65.01 H new