USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=22 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= 0.984 K(o=2,f=-7!) USER MOD Set 1.2: A 109 SER OG : rot 8:sc= 1.05 USER MOD Set 2.1: A 53 THR OG1 : rot 71:sc= 0.988 USER MOD Set 2.2: A 91 TYR OH : rot -101:sc= 1.39 USER MOD Single : A 34 THR OG1 : rot -150:sc= 0 USER MOD Single : A 35 THR OG1 : rot 140:sc= 0 USER MOD Single : A 37 CYS SG : rot 33:sc= 1.25 USER MOD Single : A 38 TYR OH : rot 150:sc= -0.0592 USER MOD Single : A 41 THR OG1 : rot -160:sc= -1.49! USER MOD Single : A 51 LYS NZ :NH3+ -171:sc= -0.0239 (180deg=-0.161) 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+ 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= -0.0857 USER MOD Single : A 67 THR OG1 : rot 180:sc= -2.37! USER MOD Single : A 68 ASN : amide:sc= -1.88 K(o=-1.9,f=-4!) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= -0.326 USER MOD Single : A 75 SER OG : rot 37:sc= 0.953 USER MOD Single : A 79 GLN : amide:sc= -2.08 K(o=-2.1,f=-3.5!) USER MOD Single : A 82 LYS NZ :NH3+ -168:sc= -1.73! (180deg=-2.26!) USER MOD Single : A 84 GLN : amide:sc= -1.39 K(o=-1.4,f=-1.9) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 HIS : no HD1:sc= -0.993 X(o=-0.99,f=-1.2) USER MOD Single : A 94 LYS NZ :NH3+ -143:sc= 1.23 (180deg=-0.106) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -166:sc= -0.0643 (180deg=-0.299) 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 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 450 N VAL A 33 26.893 -92.939 -8.150 1.00 64.33 N ATOM 451 CA VAL A 33 25.868 -92.670 -9.143 1.00 3.41 C ATOM 452 C VAL A 33 24.502 -92.786 -8.486 1.00 52.31 C ATOM 453 O VAL A 33 23.993 -93.885 -8.260 1.00 55.05 O ATOM 454 CB VAL A 33 25.937 -93.634 -10.348 1.00 32.24 C ATOM 455 CG1 VAL A 33 24.954 -93.204 -11.440 1.00 21.34 C ATOM 456 CG2 VAL A 33 27.362 -93.735 -10.893 1.00 54.35 C ATOM 0 HA VAL A 33 26.036 -91.663 -9.525 1.00 3.41 H new ATOM 0 HB VAL A 33 25.647 -94.627 -10.005 1.00 32.24 H new ATOM 0 HG11 VAL A 33 25.018 -93.896 -12.280 1.00 21.34 H new ATOM 0 HG12 VAL A 33 23.940 -93.211 -11.040 1.00 21.34 H new ATOM 0 HG13 VAL A 33 25.203 -92.198 -11.778 1.00 21.34 H new ATOM 0 HG21 VAL A 33 27.380 -94.420 -11.740 1.00 54.35 H new ATOM 0 HG22 VAL A 33 27.699 -92.750 -11.216 1.00 54.35 H new ATOM 0 HG23 VAL A 33 28.025 -94.107 -10.112 1.00 54.35 H new ATOM 466 N THR A 34 23.944 -91.648 -8.146 1.00 32.15 N ATOM 467 CA THR A 34 22.642 -91.576 -7.507 1.00 71.11 C ATOM 468 C THR A 34 21.590 -91.127 -8.518 1.00 2.24 C ATOM 469 O THR A 34 21.736 -90.075 -9.146 1.00 60.35 O ATOM 470 CB THR A 34 22.672 -90.592 -6.312 1.00 3.00 C ATOM 471 OG1 THR A 34 23.686 -90.989 -5.377 1.00 50.55 O ATOM 472 CG2 THR A 34 21.320 -90.534 -5.602 1.00 1.10 C ATOM 0 H THR A 34 24.379 -90.739 -8.304 1.00 32.15 H new ATOM 0 HA THR A 34 22.386 -92.568 -7.135 1.00 71.11 H new ATOM 0 HB THR A 34 22.896 -89.600 -6.703 1.00 3.00 H new ATOM 0 HG1 THR A 34 23.421 -90.719 -4.473 1.00 50.55 H new ATOM 0 HG21 THR A 34 21.377 -89.834 -4.768 1.00 1.10 H new ATOM 0 HG22 THR A 34 20.555 -90.202 -6.303 1.00 1.10 H new ATOM 0 HG23 THR A 34 21.063 -91.525 -5.227 1.00 1.10 H new ATOM 480 N THR A 35 20.563 -91.949 -8.707 1.00 71.32 N ATOM 481 CA THR A 35 19.441 -91.599 -9.567 1.00 44.34 C ATOM 482 C THR A 35 18.195 -91.354 -8.721 1.00 64.43 C ATOM 483 O THR A 35 17.785 -92.214 -7.942 1.00 74.11 O ATOM 484 CB THR A 35 19.149 -92.707 -10.605 1.00 51.43 C ATOM 485 OG1 THR A 35 20.314 -92.951 -11.408 1.00 13.30 O ATOM 486 CG2 THR A 35 17.976 -92.324 -11.505 1.00 62.32 C ATOM 0 H THR A 35 20.486 -92.868 -8.272 1.00 71.32 H new ATOM 0 HA THR A 35 19.709 -90.691 -10.107 1.00 44.34 H new ATOM 0 HB THR A 35 18.885 -93.614 -10.062 1.00 51.43 H new ATOM 0 HG1 THR A 35 20.409 -93.914 -11.562 1.00 13.30 H new ATOM 0 HG21 THR A 35 17.794 -93.122 -12.225 1.00 62.32 H new ATOM 0 HG22 THR A 35 17.084 -92.174 -10.896 1.00 62.32 H new ATOM 0 HG23 THR A 35 18.211 -91.402 -12.037 1.00 62.32 H new ATOM 494 N LEU A 36 17.621 -90.168 -8.859 1.00 13.40 N ATOM 495 CA LEU A 36 16.406 -89.804 -8.147 1.00 32.23 C ATOM 496 C LEU A 36 15.463 -89.065 -9.088 1.00 30.20 C ATOM 497 O LEU A 36 15.892 -88.199 -9.852 1.00 35.32 O ATOM 498 CB LEU A 36 16.735 -88.924 -6.929 1.00 70.33 C ATOM 499 CG LEU A 36 17.530 -89.610 -5.804 1.00 3.23 C ATOM 500 CD1 LEU A 36 17.892 -88.603 -4.710 1.00 10.31 C ATOM 501 CD2 LEU A 36 16.741 -90.788 -5.222 1.00 4.14 C ATOM 0 H LEU A 36 17.984 -89.433 -9.466 1.00 13.40 H new ATOM 0 HA LEU A 36 15.921 -90.713 -7.792 1.00 32.23 H new ATOM 0 HB2 LEU A 36 17.301 -88.058 -7.272 1.00 70.33 H new ATOM 0 HB3 LEU A 36 15.800 -88.549 -6.512 1.00 70.33 H new ATOM 0 HG LEU A 36 18.456 -90.000 -6.227 1.00 3.23 H new ATOM 0 HD11 LEU A 36 18.454 -89.107 -3.923 1.00 10.31 H new ATOM 0 HD12 LEU A 36 18.500 -87.805 -5.137 1.00 10.31 H new ATOM 0 HD13 LEU A 36 16.980 -88.179 -4.290 1.00 10.31 H new ATOM 0 HD21 LEU A 36 17.322 -91.258 -4.428 1.00 4.14 H new ATOM 0 HD22 LEU A 36 15.796 -90.428 -4.815 1.00 4.14 H new ATOM 0 HD23 LEU A 36 16.543 -91.517 -6.008 1.00 4.14 H new ATOM 513 N CYS A 37 14.187 -89.420 -9.042 1.00 71.23 N ATOM 514 CA CYS A 37 13.176 -88.760 -9.853 1.00 40.31 C ATOM 515 C CYS A 37 12.639 -87.543 -9.108 1.00 32.44 C ATOM 516 O CYS A 37 12.403 -87.602 -7.902 1.00 34.41 O ATOM 517 CB CYS A 37 12.043 -89.737 -10.190 1.00 1.21 C ATOM 518 SG CYS A 37 10.716 -89.038 -11.201 1.00 21.43 S ATOM 0 H CYS A 37 13.826 -90.166 -8.447 1.00 71.23 H new ATOM 0 HA CYS A 37 13.625 -88.428 -10.789 1.00 40.31 H new ATOM 0 HB2 CYS A 37 12.465 -90.595 -10.713 1.00 1.21 H new ATOM 0 HB3 CYS A 37 11.614 -90.110 -9.260 1.00 1.21 H new ATOM 0 HG CYS A 37 11.211 -88.153 -12.015 1.00 21.43 H new ATOM 524 N TYR A 38 12.465 -86.443 -9.824 1.00 44.52 N ATOM 525 CA TYR A 38 12.010 -85.188 -9.235 1.00 13.14 C ATOM 526 C TYR A 38 10.611 -84.857 -9.732 1.00 33.50 C ATOM 527 O TYR A 38 10.250 -85.179 -10.863 1.00 34.40 O ATOM 528 CB TYR A 38 12.965 -84.039 -9.604 1.00 2.52 C ATOM 529 CG TYR A 38 14.335 -84.116 -8.948 1.00 51.01 C ATOM 530 CD1 TYR A 38 15.113 -85.264 -9.038 1.00 5.21 C ATOM 531 CD2 TYR A 38 14.850 -83.033 -8.240 1.00 74.21 C ATOM 532 CE1 TYR A 38 16.357 -85.334 -8.443 1.00 42.41 C ATOM 533 CE2 TYR A 38 16.095 -83.096 -7.644 1.00 41.03 C ATOM 534 CZ TYR A 38 16.844 -84.249 -7.749 1.00 0.42 C ATOM 535 OH TYR A 38 18.085 -84.317 -7.164 1.00 72.24 O ATOM 0 H TYR A 38 12.634 -86.392 -10.829 1.00 44.52 H new ATOM 0 HA TYR A 38 11.996 -85.304 -8.151 1.00 13.14 H new ATOM 0 HB2 TYR A 38 13.096 -84.026 -10.686 1.00 2.52 H new ATOM 0 HB3 TYR A 38 12.498 -83.094 -9.328 1.00 2.52 H new ATOM 0 HD1 TYR A 38 14.738 -86.117 -9.583 1.00 5.21 H new ATOM 0 HD2 TYR A 38 14.266 -82.128 -8.155 1.00 74.21 H new ATOM 0 HE1 TYR A 38 16.946 -86.236 -8.522 1.00 42.41 H new ATOM 0 HE2 TYR A 38 16.479 -82.247 -7.099 1.00 41.03 H new ATOM 0 HH TYR A 38 18.486 -83.423 -7.144 1.00 72.24 H new ATOM 545 N ARG A 39 9.825 -84.231 -8.871 1.00 41.31 N ATOM 546 CA ARG A 39 8.503 -83.742 -9.234 1.00 13.40 C ATOM 547 C ARG A 39 8.150 -82.544 -8.367 1.00 14.02 C ATOM 548 O ARG A 39 7.945 -82.680 -7.162 1.00 25.40 O ATOM 549 CB ARG A 39 7.448 -84.847 -9.071 1.00 74.33 C ATOM 550 CG ARG A 39 6.032 -84.401 -9.436 1.00 12.21 C ATOM 551 CD ARG A 39 5.025 -85.539 -9.319 1.00 54.31 C ATOM 552 NE ARG A 39 4.926 -86.068 -7.953 1.00 25.32 N ATOM 553 CZ ARG A 39 3.972 -86.914 -7.552 1.00 14.22 C ATOM 554 NH1 ARG A 39 3.042 -87.323 -8.406 1.00 32.13 N ATOM 555 NH2 ARG A 39 3.951 -87.365 -6.303 1.00 64.21 N ATOM 0 H ARG A 39 10.084 -84.047 -7.902 1.00 41.31 H new ATOM 0 HA ARG A 39 8.515 -83.440 -10.281 1.00 13.40 H new ATOM 0 HB2 ARG A 39 7.725 -85.696 -9.695 1.00 74.33 H new ATOM 0 HB3 ARG A 39 7.455 -85.195 -8.038 1.00 74.33 H new ATOM 0 HG2 ARG A 39 5.731 -83.582 -8.783 1.00 12.21 H new ATOM 0 HG3 ARG A 39 6.025 -84.015 -10.455 1.00 12.21 H new ATOM 0 HD2 ARG A 39 4.045 -85.186 -9.640 1.00 54.31 H new ATOM 0 HD3 ARG A 39 5.311 -86.344 -9.996 1.00 54.31 H new ATOM 0 HE ARG A 39 5.625 -85.773 -7.271 1.00 25.32 H new ATOM 0 HH11 ARG A 39 3.054 -86.992 -9.371 1.00 32.13 H new ATOM 0 HH12 ARG A 39 2.315 -87.969 -8.098 1.00 32.13 H new ATOM 0 HH21 ARG A 39 4.667 -87.066 -5.641 1.00 64.21 H new ATOM 0 HH22 ARG A 39 3.219 -88.010 -6.006 1.00 64.21 H new ATOM 569 N VAL A 40 8.097 -81.370 -8.978 1.00 72.34 N ATOM 570 CA VAL A 40 7.767 -80.141 -8.263 1.00 72.44 C ATOM 571 C VAL A 40 6.481 -79.549 -8.823 1.00 70.43 C ATOM 572 O VAL A 40 6.228 -79.627 -10.024 1.00 61.43 O ATOM 573 CB VAL A 40 8.910 -79.091 -8.365 1.00 33.24 C ATOM 574 CG1 VAL A 40 9.017 -78.518 -9.777 1.00 32.30 C ATOM 575 CG2 VAL A 40 8.721 -77.977 -7.334 1.00 22.25 C ATOM 0 H VAL A 40 8.279 -81.240 -9.973 1.00 72.34 H new ATOM 0 HA VAL A 40 7.635 -80.394 -7.211 1.00 72.44 H new ATOM 0 HB VAL A 40 9.848 -79.601 -8.145 1.00 33.24 H new ATOM 0 HG11 VAL A 40 9.825 -77.788 -9.813 1.00 32.30 H new ATOM 0 HG12 VAL A 40 9.224 -79.323 -10.482 1.00 32.30 H new ATOM 0 HG13 VAL A 40 8.078 -78.034 -10.045 1.00 32.30 H new ATOM 0 HG21 VAL A 40 9.533 -77.255 -7.425 1.00 22.25 H new ATOM 0 HG22 VAL A 40 7.769 -77.476 -7.510 1.00 22.25 H new ATOM 0 HG23 VAL A 40 8.727 -78.404 -6.331 1.00 22.25 H new ATOM 585 N THR A 41 5.662 -78.978 -7.960 1.00 2.24 N ATOM 586 CA THR A 41 4.412 -78.367 -8.378 1.00 62.42 C ATOM 587 C THR A 41 4.564 -76.847 -8.478 1.00 74.20 C ATOM 588 O THR A 41 4.850 -76.178 -7.483 1.00 2.33 O ATOM 589 CB THR A 41 3.272 -78.725 -7.396 1.00 55.34 C ATOM 590 OG1 THR A 41 3.704 -78.502 -6.045 1.00 61.12 O ATOM 591 CG2 THR A 41 2.843 -80.181 -7.556 1.00 64.10 C ATOM 0 H THR A 41 5.841 -78.924 -6.957 1.00 2.24 H new ATOM 0 HA THR A 41 4.156 -78.758 -9.363 1.00 62.42 H new ATOM 0 HB THR A 41 2.419 -78.086 -7.623 1.00 55.34 H new ATOM 0 HG1 THR A 41 3.133 -79.009 -5.431 1.00 61.12 H new ATOM 0 HG21 THR A 41 2.040 -80.403 -6.853 1.00 64.10 H new ATOM 0 HG22 THR A 41 2.490 -80.346 -8.574 1.00 64.10 H new ATOM 0 HG23 THR A 41 3.692 -80.835 -7.356 1.00 64.10 H new ATOM 599 N GLY A 42 4.396 -76.313 -9.685 1.00 41.40 N ATOM 600 CA GLY A 42 4.473 -74.879 -9.889 1.00 24.42 C ATOM 601 C GLY A 42 3.124 -74.228 -9.680 1.00 40.24 C ATOM 602 O GLY A 42 2.254 -74.313 -10.548 1.00 32.35 O ATOM 0 H GLY A 42 4.207 -76.853 -10.529 1.00 41.40 H new ATOM 0 HA2 GLY A 42 5.199 -74.449 -9.199 1.00 24.42 H new ATOM 0 HA3 GLY A 42 4.829 -74.670 -10.898 1.00 24.42 H new ATOM 684 N PHE A 48 8.579 -72.870 -14.978 1.00 44.21 N ATOM 685 CA PHE A 48 9.855 -73.431 -14.545 1.00 43.23 C ATOM 686 C PHE A 48 10.969 -73.029 -15.518 1.00 63.04 C ATOM 687 O PHE A 48 10.778 -73.054 -16.734 1.00 45.54 O ATOM 688 CB PHE A 48 9.740 -74.959 -14.449 1.00 61.12 C ATOM 689 CG PHE A 48 10.810 -75.614 -13.608 1.00 53.24 C ATOM 690 CD1 PHE A 48 10.730 -75.590 -12.222 1.00 42.11 C ATOM 691 CD2 PHE A 48 11.884 -76.263 -14.200 1.00 54.45 C ATOM 692 CE1 PHE A 48 11.700 -76.196 -11.446 1.00 23.41 C ATOM 693 CE2 PHE A 48 12.854 -76.873 -13.428 1.00 23.53 C ATOM 694 CZ PHE A 48 12.763 -76.839 -12.050 1.00 52.33 C ATOM 0 HA PHE A 48 10.107 -73.036 -13.561 1.00 43.23 H new ATOM 0 HB2 PHE A 48 8.764 -75.212 -14.035 1.00 61.12 H new ATOM 0 HB3 PHE A 48 9.778 -75.378 -15.455 1.00 61.12 H new ATOM 0 HD1 PHE A 48 9.899 -75.092 -11.744 1.00 42.11 H new ATOM 0 HD2 PHE A 48 11.963 -76.292 -15.277 1.00 54.45 H new ATOM 0 HE1 PHE A 48 11.627 -76.167 -10.369 1.00 23.41 H new ATOM 0 HE2 PHE A 48 13.684 -77.377 -13.902 1.00 23.53 H new ATOM 0 HZ PHE A 48 13.522 -77.314 -11.446 1.00 52.33 H new ATOM 704 N PHE A 49 12.122 -72.665 -14.968 1.00 15.34 N ATOM 705 CA PHE A 49 13.249 -72.161 -15.758 1.00 4.40 C ATOM 706 C PHE A 49 13.989 -73.273 -16.523 1.00 62.32 C ATOM 707 O PHE A 49 14.945 -73.871 -16.013 1.00 1.00 O ATOM 708 CB PHE A 49 14.228 -71.371 -14.858 1.00 33.40 C ATOM 709 CG PHE A 49 14.467 -71.950 -13.471 1.00 61.25 C ATOM 710 CD1 PHE A 49 14.311 -73.305 -13.205 1.00 2.54 C ATOM 711 CD2 PHE A 49 14.852 -71.117 -12.426 1.00 61.52 C ATOM 712 CE1 PHE A 49 14.528 -73.809 -11.937 1.00 70.11 C ATOM 713 CE2 PHE A 49 15.071 -71.619 -11.159 1.00 52.45 C ATOM 714 CZ PHE A 49 14.907 -72.967 -10.914 1.00 63.23 C ATOM 0 H PHE A 49 12.306 -72.709 -13.966 1.00 15.34 H new ATOM 0 HA PHE A 49 12.833 -71.491 -16.510 1.00 4.40 H new ATOM 0 HB2 PHE A 49 15.187 -71.300 -15.371 1.00 33.40 H new ATOM 0 HB3 PHE A 49 13.850 -70.355 -14.747 1.00 33.40 H new ATOM 0 HD1 PHE A 49 14.016 -73.973 -14.000 1.00 2.54 H new ATOM 0 HD2 PHE A 49 14.982 -70.061 -12.609 1.00 61.52 H new ATOM 0 HE1 PHE A 49 14.400 -74.865 -11.747 1.00 70.11 H new ATOM 0 HE2 PHE A 49 15.371 -70.957 -10.360 1.00 52.45 H new ATOM 0 HZ PHE A 49 15.075 -73.361 -9.923 1.00 63.23 H new ATOM 724 N ARG A 50 13.549 -73.532 -17.761 1.00 20.24 N ATOM 725 CA ARG A 50 14.181 -74.540 -18.619 1.00 11.11 C ATOM 726 C ARG A 50 15.663 -74.228 -18.807 1.00 62.02 C ATOM 727 O ARG A 50 16.527 -75.070 -18.550 1.00 13.04 O ATOM 728 CB ARG A 50 13.499 -74.593 -20.000 1.00 4.24 C ATOM 729 CG ARG A 50 14.090 -75.652 -20.935 1.00 63.42 C ATOM 730 CD ARG A 50 13.592 -75.518 -22.374 1.00 31.41 C ATOM 731 NE ARG A 50 12.148 -75.742 -22.504 1.00 52.04 N ATOM 732 CZ ARG A 50 11.590 -76.549 -23.421 1.00 22.45 C ATOM 733 NH1 ARG A 50 12.353 -77.283 -24.227 1.00 12.14 N ATOM 734 NH2 ARG A 50 10.269 -76.643 -23.508 1.00 70.43 N ATOM 0 H ARG A 50 12.756 -73.056 -18.191 1.00 20.24 H new ATOM 0 HA ARG A 50 14.071 -75.507 -18.129 1.00 11.11 H new ATOM 0 HB2 ARG A 50 12.436 -74.793 -19.864 1.00 4.24 H new ATOM 0 HB3 ARG A 50 13.581 -73.615 -20.474 1.00 4.24 H new ATOM 0 HG2 ARG A 50 15.177 -75.574 -20.923 1.00 63.42 H new ATOM 0 HG3 ARG A 50 13.837 -76.643 -20.559 1.00 63.42 H new ATOM 0 HD2 ARG A 50 13.835 -74.522 -22.745 1.00 31.41 H new ATOM 0 HD3 ARG A 50 14.123 -76.231 -23.004 1.00 31.41 H new ATOM 0 HE ARG A 50 11.529 -75.254 -21.857 1.00 52.04 H new ATOM 0 HH11 ARG A 50 13.369 -77.235 -24.151 1.00 12.14 H new ATOM 0 HH12 ARG A 50 11.922 -77.894 -24.921 1.00 12.14 H new ATOM 0 HH21 ARG A 50 9.677 -76.102 -22.878 1.00 70.43 H new ATOM 0 HH22 ARG A 50 9.846 -77.256 -24.205 1.00 70.43 H new ATOM 748 N LYS A 51 15.938 -73.006 -19.260 1.00 31.42 N ATOM 749 CA LYS A 51 17.300 -72.554 -19.533 1.00 51.24 C ATOM 750 C LYS A 51 18.215 -72.794 -18.334 1.00 43.40 C ATOM 751 O LYS A 51 19.287 -73.392 -18.463 1.00 4.25 O ATOM 752 CB LYS A 51 17.295 -71.060 -19.891 1.00 42.54 C ATOM 753 CG LYS A 51 18.684 -70.466 -20.119 1.00 63.21 C ATOM 754 CD LYS A 51 19.374 -71.061 -21.344 1.00 2.41 C ATOM 755 CE LYS A 51 20.812 -70.569 -21.469 1.00 61.10 C ATOM 756 NZ LYS A 51 20.904 -69.083 -21.478 1.00 63.52 N ATOM 0 H LYS A 51 15.224 -72.303 -19.448 1.00 31.42 H new ATOM 0 HA LYS A 51 17.683 -73.130 -20.375 1.00 51.24 H new ATOM 0 HB2 LYS A 51 16.698 -70.916 -20.792 1.00 42.54 H new ATOM 0 HB3 LYS A 51 16.803 -70.508 -19.090 1.00 42.54 H new ATOM 0 HG2 LYS A 51 18.599 -69.386 -20.241 1.00 63.21 H new ATOM 0 HG3 LYS A 51 19.300 -70.640 -19.237 1.00 63.21 H new ATOM 0 HD2 LYS A 51 19.365 -72.149 -21.275 1.00 2.41 H new ATOM 0 HD3 LYS A 51 18.817 -70.794 -22.242 1.00 2.41 H new ATOM 0 HE2 LYS A 51 21.401 -70.962 -20.640 1.00 61.10 H new ATOM 0 HE3 LYS A 51 21.250 -70.963 -22.386 1.00 61.10 H new ATOM 0 HZ1 LYS A 51 21.875 -68.797 -21.716 1.00 63.52 H new ATOM 0 HZ2 LYS A 51 20.246 -68.699 -22.186 1.00 63.52 H new ATOM 0 HZ3 LYS A 51 20.655 -68.714 -20.538 1.00 63.52 H new ATOM 770 N TYR A 52 17.774 -72.334 -17.169 1.00 33.33 N ATOM 771 CA TYR A 52 18.577 -72.413 -15.954 1.00 52.21 C ATOM 772 C TYR A 52 18.800 -73.862 -15.535 1.00 31.13 C ATOM 773 O TYR A 52 19.896 -74.221 -15.107 1.00 33.12 O ATOM 774 CB TYR A 52 17.913 -71.624 -14.819 1.00 51.11 C ATOM 775 CG TYR A 52 17.863 -70.126 -15.068 1.00 65.03 C ATOM 776 CD1 TYR A 52 17.001 -69.585 -16.016 1.00 31.11 C ATOM 777 CD2 TYR A 52 18.677 -69.253 -14.354 1.00 73.20 C ATOM 778 CE1 TYR A 52 16.955 -68.225 -16.247 1.00 52.05 C ATOM 779 CE2 TYR A 52 18.635 -67.889 -14.580 1.00 34.30 C ATOM 780 CZ TYR A 52 17.773 -67.382 -15.528 1.00 23.30 C ATOM 781 OH TYR A 52 17.725 -66.024 -15.756 1.00 53.21 O ATOM 0 H TYR A 52 16.860 -71.900 -17.040 1.00 33.33 H new ATOM 0 HA TYR A 52 19.550 -71.970 -16.165 1.00 52.21 H new ATOM 0 HB2 TYR A 52 16.898 -71.994 -14.676 1.00 51.11 H new ATOM 0 HB3 TYR A 52 18.454 -71.812 -13.892 1.00 51.11 H new ATOM 0 HD1 TYR A 52 16.356 -70.241 -16.582 1.00 31.11 H new ATOM 0 HD2 TYR A 52 19.354 -69.647 -13.610 1.00 73.20 H new ATOM 0 HE1 TYR A 52 16.280 -67.824 -16.989 1.00 52.05 H new ATOM 0 HE2 TYR A 52 19.274 -67.225 -14.017 1.00 34.30 H new ATOM 0 HH TYR A 52 18.363 -65.571 -15.166 1.00 53.21 H new ATOM 791 N THR A 53 17.763 -74.689 -15.661 1.00 44.10 N ATOM 792 CA THR A 53 17.865 -76.104 -15.302 1.00 3.41 C ATOM 793 C THR A 53 18.930 -76.816 -16.142 1.00 73.23 C ATOM 794 O THR A 53 19.779 -77.540 -15.607 1.00 72.33 O ATOM 795 CB THR A 53 16.503 -76.813 -15.467 1.00 45.12 C ATOM 796 OG1 THR A 53 15.533 -76.174 -14.630 1.00 53.20 O ATOM 797 CG2 THR A 53 16.591 -78.296 -15.111 1.00 71.23 C ATOM 0 H THR A 53 16.846 -74.406 -16.007 1.00 44.10 H new ATOM 0 HA THR A 53 18.163 -76.154 -14.255 1.00 3.41 H new ATOM 0 HB THR A 53 16.206 -76.739 -16.513 1.00 45.12 H new ATOM 0 HG1 THR A 53 15.313 -75.293 -14.998 1.00 53.20 H new ATOM 0 HG21 THR A 53 15.613 -78.760 -15.240 1.00 71.23 H new ATOM 0 HG22 THR A 53 17.313 -78.785 -15.765 1.00 71.23 H new ATOM 0 HG23 THR A 53 16.910 -78.403 -14.074 1.00 71.23 H new ATOM 805 N LYS A 54 18.891 -76.591 -17.454 1.00 52.34 N ATOM 806 CA LYS A 54 19.861 -77.191 -18.367 1.00 30.44 C ATOM 807 C LYS A 54 21.266 -76.678 -18.058 1.00 3.54 C ATOM 808 O LYS A 54 22.221 -77.454 -18.016 1.00 44.10 O ATOM 809 CB LYS A 54 19.484 -76.894 -19.829 1.00 40.44 C ATOM 810 CG LYS A 54 20.541 -77.316 -20.857 1.00 35.45 C ATOM 811 CD LYS A 54 20.879 -78.808 -20.778 1.00 30.33 C ATOM 812 CE LYS A 54 21.961 -79.188 -21.788 1.00 3.15 C ATOM 813 NZ LYS A 54 22.382 -80.611 -21.667 1.00 23.31 N ATOM 0 H LYS A 54 18.197 -75.997 -17.909 1.00 52.34 H new ATOM 0 HA LYS A 54 19.848 -78.272 -18.226 1.00 30.44 H new ATOM 0 HB2 LYS A 54 18.548 -77.402 -20.060 1.00 40.44 H new ATOM 0 HB3 LYS A 54 19.300 -75.825 -19.934 1.00 40.44 H new ATOM 0 HG2 LYS A 54 20.182 -77.082 -21.859 1.00 35.45 H new ATOM 0 HG3 LYS A 54 21.448 -76.733 -20.699 1.00 35.45 H new ATOM 0 HD2 LYS A 54 21.217 -79.053 -19.771 1.00 30.33 H new ATOM 0 HD3 LYS A 54 19.981 -79.397 -20.966 1.00 30.33 H new ATOM 0 HE2 LYS A 54 21.591 -79.007 -22.797 1.00 3.15 H new ATOM 0 HE3 LYS A 54 22.828 -78.543 -21.646 1.00 3.15 H new ATOM 0 HZ1 LYS A 54 23.117 -80.817 -22.374 1.00 23.31 H new ATOM 0 HZ2 LYS A 54 22.761 -80.781 -20.714 1.00 23.31 H new ATOM 0 HZ3 LYS A 54 21.562 -81.230 -21.829 1.00 23.31 H new ATOM 827 N LYS A 55 21.375 -75.372 -17.823 1.00 61.15 N ATOM 828 CA LYS A 55 22.657 -74.751 -17.498 1.00 23.30 C ATOM 829 C LYS A 55 23.234 -75.351 -16.214 1.00 15.04 C ATOM 830 O LYS A 55 24.413 -75.713 -16.157 1.00 2.24 O ATOM 831 CB LYS A 55 22.495 -73.232 -17.330 1.00 11.43 C ATOM 832 CG LYS A 55 23.787 -72.516 -16.941 1.00 64.44 C ATOM 833 CD LYS A 55 23.536 -71.059 -16.560 1.00 65.33 C ATOM 834 CE LYS A 55 24.819 -70.363 -16.124 1.00 14.41 C ATOM 835 NZ LYS A 55 24.555 -69.006 -15.576 1.00 63.50 N ATOM 0 H LYS A 55 20.589 -74.722 -17.852 1.00 61.15 H new ATOM 0 HA LYS A 55 23.344 -74.945 -18.322 1.00 23.30 H new ATOM 0 HB2 LYS A 55 22.123 -72.810 -18.263 1.00 11.43 H new ATOM 0 HB3 LYS A 55 21.739 -73.038 -16.569 1.00 11.43 H new ATOM 0 HG2 LYS A 55 24.252 -73.036 -16.103 1.00 64.44 H new ATOM 0 HG3 LYS A 55 24.490 -72.558 -17.773 1.00 64.44 H new ATOM 0 HD2 LYS A 55 23.105 -70.529 -17.410 1.00 65.33 H new ATOM 0 HD3 LYS A 55 22.805 -71.014 -15.753 1.00 65.33 H new ATOM 0 HE2 LYS A 55 25.322 -70.968 -15.369 1.00 14.41 H new ATOM 0 HE3 LYS A 55 25.497 -70.286 -16.974 1.00 14.41 H new ATOM 0 HZ1 LYS A 55 25.453 -68.566 -15.291 1.00 63.50 H new ATOM 0 HZ2 LYS A 55 24.098 -68.420 -16.304 1.00 63.50 H new ATOM 0 HZ3 LYS A 55 23.929 -69.081 -14.749 1.00 63.50 H new ATOM 849 N GLU A 56 22.383 -75.454 -15.195 1.00 61.35 N ATOM 850 CA GLU A 56 22.780 -75.970 -13.886 1.00 4.44 C ATOM 851 C GLU A 56 23.306 -77.396 -14.011 1.00 34.44 C ATOM 852 O GLU A 56 24.440 -77.695 -13.620 1.00 61.15 O ATOM 853 CB GLU A 56 21.578 -75.941 -12.929 1.00 12.34 C ATOM 854 CG GLU A 56 21.912 -76.349 -11.498 1.00 53.51 C ATOM 855 CD GLU A 56 22.825 -75.350 -10.801 1.00 25.14 C ATOM 856 OE1 GLU A 56 22.447 -74.161 -10.703 1.00 24.04 O ATOM 857 OE2 GLU A 56 23.915 -75.742 -10.342 1.00 63.10 O ATOM 0 H GLU A 56 21.401 -75.183 -15.253 1.00 61.35 H new ATOM 0 HA GLU A 56 23.575 -75.339 -13.489 1.00 4.44 H new ATOM 0 HB2 GLU A 56 21.158 -74.935 -12.920 1.00 12.34 H new ATOM 0 HB3 GLU A 56 20.805 -76.606 -13.314 1.00 12.34 H new ATOM 0 HG2 GLU A 56 20.988 -76.450 -10.928 1.00 53.51 H new ATOM 0 HG3 GLU A 56 22.390 -77.328 -11.506 1.00 53.51 H new ATOM 864 N ALA A 57 22.478 -78.264 -14.578 1.00 2.01 N ATOM 865 CA ALA A 57 22.831 -79.663 -14.764 1.00 74.43 C ATOM 866 C ALA A 57 24.131 -79.786 -15.554 1.00 71.13 C ATOM 867 O ALA A 57 25.066 -80.463 -15.129 1.00 12.10 O ATOM 868 CB ALA A 57 21.697 -80.400 -15.462 1.00 4.12 C ATOM 0 H ALA A 57 21.549 -78.019 -14.920 1.00 2.01 H new ATOM 0 HA ALA A 57 22.988 -80.120 -13.787 1.00 74.43 H new ATOM 0 HB1 ALA A 57 21.971 -81.446 -15.596 1.00 4.12 H new ATOM 0 HB2 ALA A 57 20.794 -80.337 -14.855 1.00 4.12 H new ATOM 0 HB3 ALA A 57 21.512 -79.945 -16.435 1.00 4.12 H new ATOM 874 N ASP A 58 24.195 -79.094 -16.687 1.00 44.45 N ATOM 875 CA ASP A 58 25.381 -79.114 -17.545 1.00 61.14 C ATOM 876 C ASP A 58 26.618 -78.628 -16.784 1.00 50.21 C ATOM 877 O ASP A 58 27.723 -79.141 -16.977 1.00 33.21 O ATOM 878 CB ASP A 58 25.143 -78.243 -18.788 1.00 0.41 C ATOM 879 CG ASP A 58 26.370 -78.128 -19.680 1.00 35.12 C ATOM 880 OD1 ASP A 58 26.683 -79.103 -20.401 1.00 32.14 O ATOM 881 OD2 ASP A 58 27.017 -77.058 -19.676 1.00 22.10 O ATOM 0 H ASP A 58 23.436 -78.508 -17.036 1.00 44.45 H new ATOM 0 HA ASP A 58 25.561 -80.142 -17.859 1.00 61.14 H new ATOM 0 HB2 ASP A 58 24.319 -78.662 -19.366 1.00 0.41 H new ATOM 0 HB3 ASP A 58 24.836 -77.246 -18.472 1.00 0.41 H new ATOM 886 N ALA A 59 26.416 -77.658 -15.896 1.00 41.11 N ATOM 887 CA ALA A 59 27.511 -77.046 -15.148 1.00 31.13 C ATOM 888 C ALA A 59 28.066 -77.990 -14.079 1.00 41.12 C ATOM 889 O ALA A 59 29.281 -78.064 -13.876 1.00 73.43 O ATOM 890 CB ALA A 59 27.043 -75.741 -14.514 1.00 33.22 C ATOM 0 H ALA A 59 25.496 -77.276 -15.676 1.00 41.11 H new ATOM 0 HA ALA A 59 28.319 -76.837 -15.849 1.00 31.13 H new ATOM 0 HB1 ALA A 59 27.866 -75.291 -13.958 1.00 33.22 H new ATOM 0 HB2 ALA A 59 26.714 -75.055 -15.294 1.00 33.22 H new ATOM 0 HB3 ALA A 59 26.214 -75.943 -13.836 1.00 33.22 H new ATOM 896 N LEU A 60 27.177 -78.706 -13.390 1.00 54.24 N ATOM 897 CA LEU A 60 27.586 -79.613 -12.310 1.00 74.52 C ATOM 898 C LEU A 60 27.599 -81.077 -12.764 1.00 2.20 C ATOM 899 O LEU A 60 27.827 -81.981 -11.955 1.00 5.04 O ATOM 900 CB LEU A 60 26.667 -79.451 -11.091 1.00 10.34 C ATOM 901 CG LEU A 60 26.808 -78.139 -10.304 1.00 60.33 C ATOM 902 CD1 LEU A 60 25.851 -78.129 -9.116 1.00 41.11 C ATOM 903 CD2 LEU A 60 28.246 -77.943 -9.834 1.00 51.52 C ATOM 0 H LEU A 60 26.171 -78.678 -13.558 1.00 54.24 H new ATOM 0 HA LEU A 60 28.604 -79.341 -12.032 1.00 74.52 H new ATOM 0 HB2 LEU A 60 25.634 -79.540 -11.427 1.00 10.34 H new ATOM 0 HB3 LEU A 60 26.853 -80.281 -10.409 1.00 10.34 H new ATOM 0 HG LEU A 60 26.551 -77.312 -10.965 1.00 60.33 H new ATOM 0 HD11 LEU A 60 25.962 -77.194 -8.567 1.00 41.11 H new ATOM 0 HD12 LEU A 60 24.826 -78.220 -9.474 1.00 41.11 H new ATOM 0 HD13 LEU A 60 26.081 -78.966 -8.456 1.00 41.11 H new ATOM 0 HD21 LEU A 60 28.323 -77.008 -9.279 1.00 51.52 H new ATOM 0 HD22 LEU A 60 28.534 -78.773 -9.189 1.00 51.52 H new ATOM 0 HD23 LEU A 60 28.910 -77.908 -10.698 1.00 51.52 H new ATOM 915 N SER A 61 27.356 -81.299 -14.053 1.00 74.52 N ATOM 916 CA SER A 61 27.434 -82.628 -14.663 1.00 3.53 C ATOM 917 C SER A 61 26.322 -83.560 -14.167 1.00 64.03 C ATOM 918 O SER A 61 26.510 -84.778 -14.090 1.00 34.12 O ATOM 919 CB SER A 61 28.814 -83.263 -14.395 1.00 74.53 C ATOM 920 OG SER A 61 29.865 -82.444 -14.889 1.00 63.03 O ATOM 0 H SER A 61 27.098 -80.561 -14.708 1.00 74.52 H new ATOM 0 HA SER A 61 27.298 -82.497 -15.736 1.00 3.53 H new ATOM 0 HB2 SER A 61 28.944 -83.417 -13.324 1.00 74.53 H new ATOM 0 HB3 SER A 61 28.863 -84.244 -14.867 1.00 74.53 H new ATOM 0 HG SER A 61 30.727 -82.871 -14.703 1.00 63.03 H new ATOM 926 N LEU A 62 25.148 -82.992 -13.866 1.00 73.12 N ATOM 927 CA LEU A 62 23.967 -83.812 -13.588 1.00 32.44 C ATOM 928 C LEU A 62 23.346 -84.230 -14.914 1.00 13.42 C ATOM 929 O LEU A 62 23.184 -83.405 -15.816 1.00 54.02 O ATOM 930 CB LEU A 62 22.903 -83.071 -12.739 1.00 62.02 C ATOM 931 CG LEU A 62 23.281 -82.765 -11.277 1.00 31.13 C ATOM 932 CD1 LEU A 62 23.945 -83.976 -10.628 1.00 22.14 C ATOM 933 CD2 LEU A 62 24.167 -81.531 -11.200 1.00 20.31 C ATOM 0 H LEU A 62 24.993 -81.985 -13.810 1.00 73.12 H new ATOM 0 HA LEU A 62 24.293 -84.676 -13.008 1.00 32.44 H new ATOM 0 HB2 LEU A 62 22.667 -82.129 -13.234 1.00 62.02 H new ATOM 0 HB3 LEU A 62 21.991 -83.668 -12.738 1.00 62.02 H new ATOM 0 HG LEU A 62 22.369 -82.551 -10.719 1.00 31.13 H new ATOM 0 HD11 LEU A 62 24.204 -83.739 -9.596 1.00 22.14 H new ATOM 0 HD12 LEU A 62 23.257 -84.821 -10.645 1.00 22.14 H new ATOM 0 HD13 LEU A 62 24.849 -84.234 -11.179 1.00 22.14 H new ATOM 0 HD21 LEU A 62 24.423 -81.331 -10.160 1.00 20.31 H new ATOM 0 HD22 LEU A 62 25.079 -81.702 -11.772 1.00 20.31 H new ATOM 0 HD23 LEU A 62 23.635 -80.674 -11.613 1.00 20.31 H new ATOM 945 N VAL A 63 23.009 -85.503 -15.034 1.00 63.31 N ATOM 946 CA VAL A 63 22.343 -86.008 -16.225 1.00 53.30 C ATOM 947 C VAL A 63 20.949 -86.485 -15.862 1.00 24.01 C ATOM 948 O VAL A 63 20.638 -86.674 -14.690 1.00 52.40 O ATOM 949 CB VAL A 63 23.138 -87.157 -16.902 1.00 11.42 C ATOM 950 CG1 VAL A 63 24.530 -86.675 -17.297 1.00 23.31 C ATOM 951 CG2 VAL A 63 23.222 -88.386 -15.997 1.00 10.23 C ATOM 0 H VAL A 63 23.186 -86.209 -14.319 1.00 63.31 H new ATOM 0 HA VAL A 63 22.284 -85.191 -16.944 1.00 53.30 H new ATOM 0 HB VAL A 63 22.603 -87.453 -17.805 1.00 11.42 H new ATOM 0 HG11 VAL A 63 25.077 -87.490 -17.771 1.00 23.31 H new ATOM 0 HG12 VAL A 63 24.442 -85.843 -17.996 1.00 23.31 H new ATOM 0 HG13 VAL A 63 25.067 -86.346 -16.407 1.00 23.31 H new ATOM 0 HG21 VAL A 63 23.785 -89.171 -16.501 1.00 10.23 H new ATOM 0 HG22 VAL A 63 23.724 -88.119 -15.067 1.00 10.23 H new ATOM 0 HG23 VAL A 63 22.217 -88.745 -15.776 1.00 10.23 H new ATOM 961 N GLY A 64 20.109 -86.646 -16.862 1.00 15.23 N ATOM 962 CA GLY A 64 18.746 -87.075 -16.631 1.00 55.25 C ATOM 963 C GLY A 64 17.802 -86.445 -17.623 1.00 30.41 C ATOM 964 O GLY A 64 18.160 -86.265 -18.790 1.00 63.55 O ATOM 0 H GLY A 64 20.345 -86.487 -17.841 1.00 15.23 H new ATOM 0 HA2 GLY A 64 18.686 -88.161 -16.706 1.00 55.25 H new ATOM 0 HA3 GLY A 64 18.445 -86.809 -15.618 1.00 55.25 H new ATOM 968 N TYR A 65 16.617 -86.071 -17.168 1.00 73.32 N ATOM 969 CA TYR A 65 15.616 -85.501 -18.061 1.00 13.32 C ATOM 970 C TYR A 65 14.580 -84.705 -17.269 1.00 31.43 C ATOM 971 O TYR A 65 14.350 -84.981 -16.093 1.00 30.44 O ATOM 972 CB TYR A 65 14.965 -86.625 -18.909 1.00 12.34 C ATOM 973 CG TYR A 65 13.501 -86.918 -18.618 1.00 12.32 C ATOM 974 CD1 TYR A 65 13.130 -87.830 -17.634 1.00 2.54 C ATOM 975 CD2 TYR A 65 12.493 -86.300 -19.351 1.00 43.24 C ATOM 976 CE1 TYR A 65 11.799 -88.110 -17.388 1.00 14.21 C ATOM 977 CE2 TYR A 65 11.163 -86.573 -19.108 1.00 74.34 C ATOM 978 CZ TYR A 65 10.821 -87.479 -18.127 1.00 4.14 C ATOM 979 OH TYR A 65 9.496 -87.756 -17.887 1.00 22.34 O ATOM 0 H TYR A 65 16.324 -86.150 -16.194 1.00 73.32 H new ATOM 0 HA TYR A 65 16.098 -84.804 -18.746 1.00 13.32 H new ATOM 0 HB2 TYR A 65 15.059 -86.359 -19.962 1.00 12.34 H new ATOM 0 HB3 TYR A 65 15.535 -87.542 -18.759 1.00 12.34 H new ATOM 0 HD1 TYR A 65 13.894 -88.326 -17.054 1.00 2.54 H new ATOM 0 HD2 TYR A 65 12.757 -85.594 -20.124 1.00 43.24 H new ATOM 0 HE1 TYR A 65 11.526 -88.820 -16.621 1.00 14.21 H new ATOM 0 HE2 TYR A 65 10.394 -86.080 -19.683 1.00 74.34 H new ATOM 0 HH TYR A 65 9.378 -87.997 -16.944 1.00 22.34 H new ATOM 989 N VAL A 66 13.975 -83.709 -17.915 1.00 23.54 N ATOM 990 CA VAL A 66 12.978 -82.847 -17.280 1.00 72.34 C ATOM 991 C VAL A 66 11.788 -82.670 -18.216 1.00 10.41 C ATOM 992 O VAL A 66 11.972 -82.563 -19.435 1.00 63.31 O ATOM 993 CB VAL A 66 13.573 -81.455 -16.918 1.00 1.11 C ATOM 994 CG1 VAL A 66 12.492 -80.501 -16.411 1.00 51.44 C ATOM 995 CG2 VAL A 66 14.691 -81.597 -15.885 1.00 12.42 C ATOM 0 H VAL A 66 14.161 -83.477 -18.891 1.00 23.54 H new ATOM 0 HA VAL A 66 12.657 -83.325 -16.355 1.00 72.34 H new ATOM 0 HB VAL A 66 13.994 -81.029 -17.828 1.00 1.11 H new ATOM 0 HG11 VAL A 66 12.941 -79.538 -16.167 1.00 51.44 H new ATOM 0 HG12 VAL A 66 11.736 -80.363 -17.184 1.00 51.44 H new ATOM 0 HG13 VAL A 66 12.026 -80.920 -15.519 1.00 51.44 H new ATOM 0 HG21 VAL A 66 15.093 -80.612 -15.646 1.00 12.42 H new ATOM 0 HG22 VAL A 66 14.294 -82.056 -14.980 1.00 12.42 H new ATOM 0 HG23 VAL A 66 15.485 -82.224 -16.292 1.00 12.42 H new ATOM 1005 N THR A 67 10.586 -82.643 -17.640 1.00 33.35 N ATOM 1006 CA THR A 67 9.341 -82.527 -18.393 1.00 62.00 C ATOM 1007 C THR A 67 8.256 -81.881 -17.528 1.00 43.22 C ATOM 1008 O THR A 67 8.371 -81.834 -16.302 1.00 43.20 O ATOM 1009 CB THR A 67 8.841 -83.907 -18.885 1.00 20.20 C ATOM 1010 OG1 THR A 67 7.737 -83.741 -19.785 1.00 12.03 O ATOM 1011 CG2 THR A 67 8.406 -84.787 -17.716 1.00 52.41 C ATOM 0 H THR A 67 10.450 -82.702 -16.631 1.00 33.35 H new ATOM 0 HA THR A 67 9.545 -81.902 -19.262 1.00 62.00 H new ATOM 0 HB THR A 67 9.669 -84.394 -19.401 1.00 20.20 H new ATOM 0 HG1 THR A 67 7.430 -84.620 -20.091 1.00 12.03 H new ATOM 0 HG21 THR A 67 8.060 -85.749 -18.094 1.00 52.41 H new ATOM 0 HG22 THR A 67 9.250 -84.943 -17.044 1.00 52.41 H new ATOM 0 HG23 THR A 67 7.597 -84.298 -17.174 1.00 52.41 H new ATOM 1019 N ASN A 68 7.207 -81.379 -18.171 1.00 24.14 N ATOM 1020 CA ASN A 68 6.081 -80.766 -17.468 1.00 73.40 C ATOM 1021 C ASN A 68 4.803 -81.545 -17.786 1.00 73.12 C ATOM 1022 O ASN A 68 4.731 -82.236 -18.804 1.00 10.52 O ATOM 1023 CB ASN A 68 5.939 -79.287 -17.882 1.00 71.15 C ATOM 1024 CG ASN A 68 4.796 -78.556 -17.183 1.00 11.14 C ATOM 1025 OD1 ASN A 68 4.171 -77.670 -17.763 1.00 14.14 O ATOM 1026 ND2 ASN A 68 4.532 -78.893 -15.928 1.00 71.23 N ATOM 0 H ASN A 68 7.111 -81.384 -19.186 1.00 24.14 H new ATOM 0 HA ASN A 68 6.258 -80.800 -16.393 1.00 73.40 H new ATOM 0 HB2 ASN A 68 6.874 -78.769 -17.668 1.00 71.15 H new ATOM 0 HB3 ASN A 68 5.785 -79.235 -18.960 1.00 71.15 H new ATOM 0 HD21 ASN A 68 3.792 -78.413 -15.416 1.00 71.23 H new ATOM 0 HD22 ASN A 68 5.069 -79.633 -15.475 1.00 71.23 H new ATOM 1033 N ASN A 69 3.809 -81.459 -16.908 1.00 74.00 N ATOM 1034 CA ASN A 69 2.532 -82.138 -17.126 1.00 52.24 C ATOM 1035 C ASN A 69 1.365 -81.194 -16.864 1.00 5.25 C ATOM 1036 O ASN A 69 1.535 -80.122 -16.276 1.00 52.52 O ATOM 1037 CB ASN A 69 2.408 -83.392 -16.244 1.00 72.13 C ATOM 1038 CG ASN A 69 3.333 -84.517 -16.685 1.00 72.22 C ATOM 1039 OD1 ASN A 69 2.991 -85.306 -17.566 1.00 2.34 O ATOM 1040 ND2 ASN A 69 4.497 -84.616 -16.061 1.00 31.15 N ATOM 0 H ASN A 69 3.861 -80.927 -16.039 1.00 74.00 H new ATOM 0 HA ASN A 69 2.501 -82.451 -18.170 1.00 52.24 H new ATOM 0 HB2 ASN A 69 2.632 -83.127 -15.211 1.00 72.13 H new ATOM 0 HB3 ASN A 69 1.377 -83.746 -16.266 1.00 72.13 H new ATOM 0 HD21 ASN A 69 5.145 -85.365 -16.306 1.00 31.15 H new ATOM 0 HD22 ASN A 69 4.746 -83.943 -15.336 1.00 31.15 H new ATOM 1047 N GLU A 70 0.178 -81.624 -17.289 1.00 63.52 N ATOM 1048 CA GLU A 70 -1.045 -80.816 -17.213 1.00 54.22 C ATOM 1049 C GLU A 70 -1.330 -80.320 -15.790 1.00 23.41 C ATOM 1050 O GLU A 70 -1.983 -79.291 -15.600 1.00 22.31 O ATOM 1051 CB GLU A 70 -2.231 -81.644 -17.726 1.00 35.24 C ATOM 1052 CG GLU A 70 -2.472 -82.924 -16.927 1.00 73.50 C ATOM 1053 CD GLU A 70 -3.584 -83.782 -17.506 1.00 44.50 C ATOM 1054 OE1 GLU A 70 -4.743 -83.317 -17.539 1.00 32.11 O ATOM 1055 OE2 GLU A 70 -3.303 -84.919 -17.944 1.00 22.30 O ATOM 0 H GLU A 70 0.034 -82.547 -17.698 1.00 63.52 H new ATOM 0 HA GLU A 70 -0.901 -79.934 -17.837 1.00 54.22 H new ATOM 0 HB2 GLU A 70 -3.132 -81.031 -17.696 1.00 35.24 H new ATOM 0 HB3 GLU A 70 -2.058 -81.904 -18.770 1.00 35.24 H new ATOM 0 HG2 GLU A 70 -1.551 -83.505 -16.895 1.00 73.50 H new ATOM 0 HG3 GLU A 70 -2.720 -82.663 -15.898 1.00 73.50 H new ATOM 1062 N ASP A 71 -0.836 -81.058 -14.799 1.00 53.44 N ATOM 1063 CA ASP A 71 -1.062 -80.724 -13.389 1.00 52.32 C ATOM 1064 C ASP A 71 -0.364 -79.426 -13.000 1.00 60.33 C ATOM 1065 O ASP A 71 -0.629 -78.866 -11.936 1.00 61.33 O ATOM 1066 CB ASP A 71 -0.569 -81.859 -12.483 1.00 72.43 C ATOM 1067 CG ASP A 71 -1.296 -83.164 -12.736 1.00 73.01 C ATOM 1068 OD1 ASP A 71 -2.402 -83.352 -12.189 1.00 23.34 O ATOM 1069 OD2 ASP A 71 -0.768 -84.010 -13.487 1.00 44.11 O ATOM 0 H ASP A 71 -0.273 -81.896 -14.944 1.00 53.44 H new ATOM 0 HA ASP A 71 -2.136 -80.590 -13.256 1.00 52.32 H new ATOM 0 HB2 ASP A 71 0.500 -82.006 -12.640 1.00 72.43 H new ATOM 0 HB3 ASP A 71 -0.701 -81.570 -11.440 1.00 72.43 H new ATOM 1074 N GLY A 72 0.521 -78.949 -13.871 1.00 2.22 N ATOM 1075 CA GLY A 72 1.329 -77.784 -13.562 1.00 24.21 C ATOM 1076 C GLY A 72 2.589 -78.177 -12.820 1.00 64.40 C ATOM 1077 O GLY A 72 3.357 -77.325 -12.370 1.00 24.14 O ATOM 0 H GLY A 72 0.693 -79.353 -14.792 1.00 2.22 H new ATOM 0 HA2 GLY A 72 1.593 -77.265 -14.484 1.00 24.21 H new ATOM 0 HA3 GLY A 72 0.750 -77.086 -12.958 1.00 24.21 H new ATOM 1081 N SER A 73 2.794 -79.484 -12.695 1.00 74.30 N ATOM 1082 CA SER A 73 3.958 -80.029 -12.022 1.00 53.52 C ATOM 1083 C SER A 73 5.053 -80.368 -13.032 1.00 5.24 C ATOM 1084 O SER A 73 4.782 -80.914 -14.106 1.00 20.32 O ATOM 1085 CB SER A 73 3.552 -81.271 -11.215 1.00 23.04 C ATOM 1086 OG SER A 73 2.784 -82.166 -12.008 1.00 33.31 O ATOM 0 H SER A 73 2.156 -80.192 -13.059 1.00 74.30 H new ATOM 0 HA SER A 73 4.358 -79.281 -11.337 1.00 53.52 H new ATOM 0 HB2 SER A 73 4.444 -81.779 -10.849 1.00 23.04 H new ATOM 0 HB3 SER A 73 2.976 -80.968 -10.341 1.00 23.04 H new ATOM 0 HG SER A 73 2.539 -82.949 -11.473 1.00 33.31 H new ATOM 1092 N VAL A 74 6.282 -80.005 -12.695 1.00 2.14 N ATOM 1093 CA VAL A 74 7.443 -80.319 -13.510 1.00 23.14 C ATOM 1094 C VAL A 74 8.174 -81.513 -12.905 1.00 45.15 C ATOM 1095 O VAL A 74 8.639 -81.451 -11.765 1.00 50.12 O ATOM 1096 CB VAL A 74 8.402 -79.107 -13.601 1.00 61.55 C ATOM 1097 CG1 VAL A 74 9.610 -79.433 -14.476 1.00 25.24 C ATOM 1098 CG2 VAL A 74 7.658 -77.879 -14.129 1.00 44.21 C ATOM 0 H VAL A 74 6.501 -79.483 -11.846 1.00 2.14 H new ATOM 0 HA VAL A 74 7.107 -80.561 -14.518 1.00 23.14 H new ATOM 0 HB VAL A 74 8.769 -78.881 -12.600 1.00 61.55 H new ATOM 0 HG11 VAL A 74 10.269 -78.566 -14.524 1.00 25.24 H new ATOM 0 HG12 VAL A 74 10.152 -80.277 -14.049 1.00 25.24 H new ATOM 0 HG13 VAL A 74 9.273 -79.689 -15.480 1.00 25.24 H new ATOM 0 HG21 VAL A 74 8.345 -77.035 -14.188 1.00 44.21 H new ATOM 0 HG22 VAL A 74 7.261 -78.093 -15.121 1.00 44.21 H new ATOM 0 HG23 VAL A 74 6.837 -77.633 -13.455 1.00 44.21 H new ATOM 1108 N SER A 75 8.253 -82.596 -13.659 1.00 24.41 N ATOM 1109 CA SER A 75 8.863 -83.826 -13.182 1.00 33.53 C ATOM 1110 C SER A 75 10.078 -84.174 -14.041 1.00 25.55 C ATOM 1111 O SER A 75 10.318 -83.544 -15.068 1.00 44.43 O ATOM 1112 CB SER A 75 7.828 -84.962 -13.199 1.00 45.42 C ATOM 1113 OG SER A 75 8.351 -86.157 -12.638 1.00 50.11 O ATOM 0 H SER A 75 7.898 -82.648 -14.614 1.00 24.41 H new ATOM 0 HA SER A 75 9.202 -83.689 -12.155 1.00 33.53 H new ATOM 0 HB2 SER A 75 6.942 -84.656 -12.642 1.00 45.42 H new ATOM 0 HB3 SER A 75 7.511 -85.150 -14.225 1.00 45.42 H new ATOM 0 HG SER A 75 8.939 -85.935 -11.886 1.00 50.11 H new ATOM 1119 N GLY A 76 10.843 -85.166 -13.607 1.00 32.44 N ATOM 1120 CA GLY A 76 12.028 -85.574 -14.335 1.00 51.54 C ATOM 1121 C GLY A 76 12.904 -86.482 -13.506 1.00 43.42 C ATOM 1122 O GLY A 76 12.457 -87.011 -12.491 1.00 53.55 O ATOM 0 H GLY A 76 10.662 -85.699 -12.757 1.00 32.44 H new ATOM 0 HA2 GLY A 76 11.734 -86.087 -15.251 1.00 51.54 H new ATOM 0 HA3 GLY A 76 12.595 -84.692 -14.632 1.00 51.54 H new ATOM 1126 N VAL A 77 14.145 -86.678 -13.934 1.00 42.05 N ATOM 1127 CA VAL A 77 15.086 -87.536 -13.219 1.00 43.44 C ATOM 1128 C VAL A 77 16.483 -86.918 -13.235 1.00 74.14 C ATOM 1129 O VAL A 77 16.923 -86.409 -14.272 1.00 42.33 O ATOM 1130 CB VAL A 77 15.156 -88.958 -13.845 1.00 53.04 C ATOM 1131 CG1 VAL A 77 16.122 -89.847 -13.066 1.00 73.25 C ATOM 1132 CG2 VAL A 77 13.771 -89.603 -13.916 1.00 44.22 C ATOM 0 H VAL A 77 14.527 -86.252 -14.778 1.00 42.05 H new ATOM 0 HA VAL A 77 14.728 -87.624 -12.193 1.00 43.44 H new ATOM 0 HB VAL A 77 15.530 -88.852 -14.864 1.00 53.04 H new ATOM 0 HG11 VAL A 77 16.154 -90.836 -13.522 1.00 73.25 H new ATOM 0 HG12 VAL A 77 17.119 -89.406 -13.085 1.00 73.25 H new ATOM 0 HG13 VAL A 77 15.784 -89.935 -12.033 1.00 73.25 H new ATOM 0 HG21 VAL A 77 13.854 -90.596 -14.358 1.00 44.22 H new ATOM 0 HG22 VAL A 77 13.357 -89.687 -12.911 1.00 44.22 H new ATOM 0 HG23 VAL A 77 13.114 -88.987 -14.529 1.00 44.22 H new ATOM 1142 N VAL A 78 17.157 -86.946 -12.082 1.00 11.12 N ATOM 1143 CA VAL A 78 18.561 -86.545 -11.969 1.00 13.11 C ATOM 1144 C VAL A 78 19.406 -87.764 -11.618 1.00 3.40 C ATOM 1145 O VAL A 78 19.034 -88.554 -10.747 1.00 63.53 O ATOM 1146 CB VAL A 78 18.786 -85.455 -10.888 1.00 55.53 C ATOM 1147 CG1 VAL A 78 20.275 -85.180 -10.684 1.00 52.34 C ATOM 1148 CG2 VAL A 78 18.057 -84.166 -11.246 1.00 23.42 C ATOM 0 H VAL A 78 16.744 -87.248 -11.200 1.00 11.12 H new ATOM 0 HA VAL A 78 18.855 -86.125 -12.931 1.00 13.11 H new ATOM 0 HB VAL A 78 18.375 -85.834 -9.953 1.00 55.53 H new ATOM 0 HG11 VAL A 78 20.402 -84.412 -9.921 1.00 52.34 H new ATOM 0 HG12 VAL A 78 20.774 -86.095 -10.364 1.00 52.34 H new ATOM 0 HG13 VAL A 78 20.713 -84.836 -11.621 1.00 52.34 H new ATOM 0 HG21 VAL A 78 18.233 -83.421 -10.470 1.00 23.42 H new ATOM 0 HG22 VAL A 78 18.428 -83.791 -12.200 1.00 23.42 H new ATOM 0 HG23 VAL A 78 16.988 -84.362 -11.324 1.00 23.42 H new ATOM 1158 N GLN A 79 20.532 -87.910 -12.299 1.00 61.04 N ATOM 1159 CA GLN A 79 21.413 -89.059 -12.138 1.00 72.34 C ATOM 1160 C GLN A 79 22.860 -88.566 -12.099 1.00 51.25 C ATOM 1161 O GLN A 79 23.278 -87.810 -12.979 1.00 1.41 O ATOM 1162 CB GLN A 79 21.205 -90.041 -13.315 1.00 75.34 C ATOM 1163 CG GLN A 79 19.792 -89.998 -13.908 1.00 65.40 C ATOM 1164 CD GLN A 79 19.610 -90.866 -15.146 1.00 13.34 C ATOM 1165 OE1 GLN A 79 18.894 -90.495 -16.071 1.00 12.03 O ATOM 1166 NE2 GLN A 79 20.200 -92.049 -15.149 1.00 41.24 N ATOM 0 H GLN A 79 20.863 -87.231 -12.984 1.00 61.04 H new ATOM 0 HA GLN A 79 21.186 -89.582 -11.209 1.00 72.34 H new ATOM 0 HB2 GLN A 79 21.926 -89.813 -14.100 1.00 75.34 H new ATOM 0 HB3 GLN A 79 21.416 -91.054 -12.973 1.00 75.34 H new ATOM 0 HG2 GLN A 79 19.080 -90.316 -13.146 1.00 65.40 H new ATOM 0 HG3 GLN A 79 19.547 -88.967 -14.162 1.00 65.40 H new ATOM 0 HE21 GLN A 79 20.789 -92.327 -14.364 1.00 41.24 H new ATOM 0 HE22 GLN A 79 20.066 -92.684 -15.936 1.00 41.24 H new ATOM 1175 N GLY A 80 23.615 -88.953 -11.074 1.00 73.20 N ATOM 1176 CA GLY A 80 25.012 -88.543 -10.990 1.00 70.11 C ATOM 1177 C GLY A 80 25.539 -88.531 -9.565 1.00 45.11 C ATOM 1178 O GLY A 80 24.921 -89.122 -8.678 1.00 30.00 O ATOM 0 H GLY A 80 23.291 -89.538 -10.304 1.00 73.20 H new ATOM 0 HA2 GLY A 80 25.621 -89.218 -11.592 1.00 70.11 H new ATOM 0 HA3 GLY A 80 25.120 -87.547 -11.421 1.00 70.11 H new ATOM 1182 N PRO A 81 26.683 -87.857 -9.315 1.00 21.24 N ATOM 1183 CA PRO A 81 27.306 -87.798 -7.984 1.00 24.25 C ATOM 1184 C PRO A 81 26.354 -87.239 -6.928 1.00 43.11 C ATOM 1185 O PRO A 81 25.765 -86.169 -7.116 1.00 61.12 O ATOM 1186 CB PRO A 81 28.515 -86.861 -8.176 1.00 14.12 C ATOM 1187 CG PRO A 81 28.256 -86.144 -9.462 1.00 1.43 C ATOM 1188 CD PRO A 81 27.456 -87.094 -10.311 1.00 73.32 C ATOM 0 HA PRO A 81 27.585 -88.789 -7.625 1.00 24.25 H new ATOM 0 HB2 PRO A 81 28.606 -86.160 -7.346 1.00 14.12 H new ATOM 0 HB3 PRO A 81 29.447 -87.425 -8.220 1.00 14.12 H new ATOM 0 HG2 PRO A 81 27.707 -85.218 -9.289 1.00 1.43 H new ATOM 0 HG3 PRO A 81 29.191 -85.874 -9.953 1.00 1.43 H new ATOM 0 HD2 PRO A 81 26.806 -86.564 -11.007 1.00 73.32 H new ATOM 0 HD3 PRO A 81 28.099 -87.743 -10.906 1.00 73.32 H new ATOM 1196 N LYS A 82 26.234 -87.958 -5.810 1.00 34.24 N ATOM 1197 CA LYS A 82 25.298 -87.606 -4.738 1.00 65.22 C ATOM 1198 C LYS A 82 25.397 -86.128 -4.347 1.00 10.03 C ATOM 1199 O LYS A 82 24.393 -85.503 -4.018 1.00 13.55 O ATOM 1200 CB LYS A 82 25.523 -88.522 -3.509 1.00 54.13 C ATOM 1201 CG LYS A 82 26.959 -88.530 -2.958 1.00 14.43 C ATOM 1202 CD LYS A 82 27.256 -87.355 -2.013 1.00 71.14 C ATOM 1203 CE LYS A 82 26.771 -87.604 -0.582 1.00 51.01 C ATOM 1204 NZ LYS A 82 25.309 -87.871 -0.503 1.00 4.33 N ATOM 0 H LYS A 82 26.781 -88.798 -5.622 1.00 34.24 H new ATOM 0 HA LYS A 82 24.288 -87.765 -5.116 1.00 65.22 H new ATOM 0 HB2 LYS A 82 24.846 -88.210 -2.713 1.00 54.13 H new ATOM 0 HB3 LYS A 82 25.248 -89.541 -3.779 1.00 54.13 H new ATOM 0 HG2 LYS A 82 27.131 -89.466 -2.427 1.00 14.43 H new ATOM 0 HG3 LYS A 82 27.660 -88.502 -3.792 1.00 14.43 H new ATOM 0 HD2 LYS A 82 28.330 -87.168 -2.000 1.00 71.14 H new ATOM 0 HD3 LYS A 82 26.780 -86.454 -2.401 1.00 71.14 H new ATOM 0 HE2 LYS A 82 27.313 -88.452 -0.163 1.00 51.01 H new ATOM 0 HE3 LYS A 82 27.010 -86.737 0.033 1.00 51.01 H new ATOM 0 HZ1 LYS A 82 25.002 -87.830 0.490 1.00 4.33 H new ATOM 0 HZ2 LYS A 82 24.795 -87.154 -1.054 1.00 4.33 H new ATOM 0 HZ3 LYS A 82 25.107 -88.815 -0.889 1.00 4.33 H new ATOM 1218 N GLU A 83 26.610 -85.577 -4.386 1.00 45.34 N ATOM 1219 CA GLU A 83 26.839 -84.196 -3.963 1.00 53.14 C ATOM 1220 C GLU A 83 26.232 -83.191 -4.946 1.00 41.52 C ATOM 1221 O GLU A 83 25.603 -82.219 -4.533 1.00 1.31 O ATOM 1222 CB GLU A 83 28.334 -83.932 -3.746 1.00 53.44 C ATOM 1223 CG GLU A 83 29.226 -84.410 -4.880 1.00 34.25 C ATOM 1224 CD GLU A 83 30.685 -84.083 -4.626 1.00 42.22 C ATOM 1225 OE1 GLU A 83 31.109 -82.957 -4.952 1.00 53.32 O ATOM 1226 OE2 GLU A 83 31.404 -84.941 -4.072 1.00 25.22 O ATOM 0 H GLU A 83 27.447 -86.064 -4.705 1.00 45.34 H new ATOM 0 HA GLU A 83 26.330 -84.056 -3.010 1.00 53.14 H new ATOM 0 HB2 GLU A 83 28.485 -82.862 -3.607 1.00 53.44 H new ATOM 0 HB3 GLU A 83 28.647 -84.420 -2.823 1.00 53.44 H new ATOM 0 HG2 GLU A 83 29.111 -85.487 -5.003 1.00 34.25 H new ATOM 0 HG3 GLU A 83 28.907 -83.946 -5.813 1.00 34.25 H new ATOM 1233 N GLN A 84 26.419 -83.426 -6.244 1.00 71.32 N ATOM 1234 CA GLN A 84 25.841 -82.554 -7.264 1.00 73.41 C ATOM 1235 C GLN A 84 24.330 -82.763 -7.358 1.00 4.41 C ATOM 1236 O GLN A 84 23.587 -81.826 -7.646 1.00 35.12 O ATOM 1237 CB GLN A 84 26.507 -82.776 -8.631 1.00 70.43 C ATOM 1238 CG GLN A 84 27.833 -82.041 -8.811 1.00 43.51 C ATOM 1239 CD GLN A 84 28.919 -82.493 -7.853 1.00 53.33 C ATOM 1240 OE1 GLN A 84 29.650 -83.438 -8.138 1.00 64.14 O ATOM 1241 NE2 GLN A 84 29.045 -81.813 -6.724 1.00 5.13 N ATOM 0 H GLN A 84 26.962 -84.207 -6.612 1.00 71.32 H new ATOM 0 HA GLN A 84 26.029 -81.522 -6.967 1.00 73.41 H new ATOM 0 HB2 GLN A 84 26.675 -83.844 -8.771 1.00 70.43 H new ATOM 0 HB3 GLN A 84 25.819 -82.456 -9.413 1.00 70.43 H new ATOM 0 HG2 GLN A 84 28.181 -82.184 -9.834 1.00 43.51 H new ATOM 0 HG3 GLN A 84 27.666 -80.972 -8.678 1.00 43.51 H new ATOM 0 HE21 GLN A 84 28.417 -81.034 -6.525 1.00 5.13 H new ATOM 0 HE22 GLN A 84 29.770 -82.068 -6.053 1.00 5.13 H new ATOM 1250 N VAL A 85 23.881 -83.996 -7.120 1.00 33.13 N ATOM 1251 CA VAL A 85 22.448 -84.286 -7.019 1.00 22.34 C ATOM 1252 C VAL A 85 21.863 -83.499 -5.849 1.00 73.43 C ATOM 1253 O VAL A 85 20.819 -82.863 -5.972 1.00 53.31 O ATOM 1254 CB VAL A 85 22.181 -85.803 -6.817 1.00 44.11 C ATOM 1255 CG1 VAL A 85 20.690 -86.084 -6.613 1.00 71.00 C ATOM 1256 CG2 VAL A 85 22.722 -86.609 -7.999 1.00 25.24 C ATOM 0 H VAL A 85 24.485 -84.808 -6.994 1.00 33.13 H new ATOM 0 HA VAL A 85 21.971 -83.989 -7.953 1.00 22.34 H new ATOM 0 HB VAL A 85 22.707 -86.115 -5.915 1.00 44.11 H new ATOM 0 HG11 VAL A 85 20.537 -87.154 -6.475 1.00 71.00 H new ATOM 0 HG12 VAL A 85 20.336 -85.550 -5.731 1.00 71.00 H new ATOM 0 HG13 VAL A 85 20.133 -85.748 -7.488 1.00 71.00 H new ATOM 0 HG21 VAL A 85 22.525 -87.669 -7.837 1.00 25.24 H new ATOM 0 HG22 VAL A 85 22.231 -86.284 -8.916 1.00 25.24 H new ATOM 0 HG23 VAL A 85 23.797 -86.449 -8.087 1.00 25.24 H new ATOM 1266 N ASP A 86 22.581 -83.532 -4.725 1.00 15.30 N ATOM 1267 CA ASP A 86 22.230 -82.761 -3.529 1.00 63.23 C ATOM 1268 C ASP A 86 22.141 -81.277 -3.890 1.00 64.31 C ATOM 1269 O ASP A 86 21.178 -80.588 -3.540 1.00 72.04 O ATOM 1270 CB ASP A 86 23.297 -82.997 -2.444 1.00 35.40 C ATOM 1271 CG ASP A 86 22.963 -82.374 -1.093 1.00 14.31 C ATOM 1272 OD1 ASP A 86 23.196 -81.162 -0.912 1.00 61.35 O ATOM 1273 OD2 ASP A 86 22.504 -83.112 -0.190 1.00 32.10 O ATOM 0 H ASP A 86 23.425 -84.095 -4.617 1.00 15.30 H new ATOM 0 HA ASP A 86 21.262 -83.083 -3.144 1.00 63.23 H new ATOM 0 HB2 ASP A 86 23.434 -84.070 -2.313 1.00 35.40 H new ATOM 0 HB3 ASP A 86 24.248 -82.594 -2.792 1.00 35.40 H new ATOM 1278 N ALA A 87 23.146 -80.815 -4.631 1.00 21.34 N ATOM 1279 CA ALA A 87 23.194 -79.443 -5.127 1.00 34.53 C ATOM 1280 C ALA A 87 21.975 -79.130 -5.989 1.00 20.20 C ATOM 1281 O ALA A 87 21.384 -78.052 -5.884 1.00 62.15 O ATOM 1282 CB ALA A 87 24.472 -79.227 -5.932 1.00 10.13 C ATOM 0 H ALA A 87 23.949 -81.382 -4.904 1.00 21.34 H new ATOM 0 HA ALA A 87 23.188 -78.768 -4.271 1.00 34.53 H new ATOM 0 HB1 ALA A 87 24.502 -78.201 -6.299 1.00 10.13 H new ATOM 0 HB2 ALA A 87 25.338 -79.410 -5.296 1.00 10.13 H new ATOM 0 HB3 ALA A 87 24.491 -79.916 -6.777 1.00 10.13 H new ATOM 1288 N PHE A 88 21.599 -80.087 -6.834 1.00 23.24 N ATOM 1289 CA PHE A 88 20.477 -79.914 -7.746 1.00 53.22 C ATOM 1290 C PHE A 88 19.175 -79.832 -6.957 1.00 41.43 C ATOM 1291 O PHE A 88 18.267 -79.091 -7.320 1.00 24.23 O ATOM 1292 CB PHE A 88 20.423 -81.065 -8.761 1.00 13.44 C ATOM 1293 CG PHE A 88 19.668 -80.720 -10.022 1.00 60.45 C ATOM 1294 CD1 PHE A 88 18.283 -80.817 -10.083 1.00 41.43 C ATOM 1295 CD2 PHE A 88 20.353 -80.289 -11.149 1.00 2.04 C ATOM 1296 CE1 PHE A 88 17.604 -80.492 -11.243 1.00 43.45 C ATOM 1297 CE2 PHE A 88 19.679 -79.964 -12.307 1.00 65.45 C ATOM 1298 CZ PHE A 88 18.302 -80.065 -12.356 1.00 72.11 C ATOM 0 H PHE A 88 22.060 -80.994 -6.904 1.00 23.24 H new ATOM 0 HA PHE A 88 20.613 -78.984 -8.297 1.00 53.22 H new ATOM 0 HB2 PHE A 88 21.440 -81.355 -9.024 1.00 13.44 H new ATOM 0 HB3 PHE A 88 19.955 -81.931 -8.292 1.00 13.44 H new ATOM 0 HD1 PHE A 88 17.732 -81.149 -9.216 1.00 41.43 H new ATOM 0 HD2 PHE A 88 21.429 -80.207 -11.119 1.00 2.04 H new ATOM 0 HE1 PHE A 88 16.528 -80.572 -11.279 1.00 43.45 H new ATOM 0 HE2 PHE A 88 20.227 -79.631 -13.176 1.00 65.45 H new ATOM 0 HZ PHE A 88 17.773 -79.811 -13.262 1.00 72.11 H new ATOM 1308 N VAL A 89 19.097 -80.597 -5.873 1.00 5.13 N ATOM 1309 CA VAL A 89 17.953 -80.527 -4.961 1.00 63.22 C ATOM 1310 C VAL A 89 17.865 -79.136 -4.330 1.00 22.42 C ATOM 1311 O VAL A 89 16.787 -78.536 -4.258 1.00 63.11 O ATOM 1312 CB VAL A 89 18.040 -81.593 -3.835 1.00 62.24 C ATOM 1313 CG1 VAL A 89 16.865 -81.466 -2.866 1.00 41.30 C ATOM 1314 CG2 VAL A 89 18.099 -83.001 -4.419 1.00 71.34 C ATOM 0 H VAL A 89 19.811 -81.274 -5.602 1.00 5.13 H new ATOM 0 HA VAL A 89 17.059 -80.728 -5.551 1.00 63.22 H new ATOM 0 HB VAL A 89 18.961 -81.413 -3.280 1.00 62.24 H new ATOM 0 HG11 VAL A 89 16.951 -82.225 -2.088 1.00 41.30 H new ATOM 0 HG12 VAL A 89 16.875 -80.476 -2.410 1.00 41.30 H new ATOM 0 HG13 VAL A 89 15.930 -81.607 -3.408 1.00 41.30 H new ATOM 0 HG21 VAL A 89 18.160 -83.728 -3.609 1.00 71.34 H new ATOM 0 HG22 VAL A 89 17.202 -83.188 -5.009 1.00 71.34 H new ATOM 0 HG23 VAL A 89 18.978 -83.094 -5.057 1.00 71.34 H new ATOM 1324 N LYS A 90 19.010 -78.629 -3.881 1.00 72.24 N ATOM 1325 CA LYS A 90 19.090 -77.302 -3.267 1.00 63.21 C ATOM 1326 C LYS A 90 18.775 -76.216 -4.295 1.00 31.12 C ATOM 1327 O LYS A 90 18.265 -75.144 -3.954 1.00 14.12 O ATOM 1328 CB LYS A 90 20.487 -77.091 -2.668 1.00 12.24 C ATOM 1329 CG LYS A 90 20.849 -78.135 -1.615 1.00 73.32 C ATOM 1330 CD LYS A 90 22.317 -78.060 -1.201 1.00 40.24 C ATOM 1331 CE LYS A 90 22.641 -76.789 -0.426 1.00 1.53 C ATOM 1332 NZ LYS A 90 24.050 -76.782 0.044 1.00 60.33 N ATOM 0 H LYS A 90 19.903 -79.120 -3.931 1.00 72.24 H new ATOM 0 HA LYS A 90 18.351 -77.236 -2.469 1.00 63.21 H new ATOM 0 HB2 LYS A 90 21.227 -77.118 -3.468 1.00 12.24 H new ATOM 0 HB3 LYS A 90 20.538 -76.099 -2.220 1.00 12.24 H new ATOM 0 HG2 LYS A 90 20.219 -77.995 -0.737 1.00 73.32 H new ATOM 0 HG3 LYS A 90 20.635 -79.130 -2.005 1.00 73.32 H new ATOM 0 HD2 LYS A 90 22.563 -78.928 -0.589 1.00 40.24 H new ATOM 0 HD3 LYS A 90 22.945 -78.109 -2.091 1.00 40.24 H new ATOM 0 HE2 LYS A 90 22.463 -75.920 -1.060 1.00 1.53 H new ATOM 0 HE3 LYS A 90 21.971 -76.702 0.429 1.00 1.53 H new ATOM 0 HZ1 LYS A 90 24.237 -75.903 0.568 1.00 60.33 H new ATOM 0 HZ2 LYS A 90 24.212 -77.598 0.668 1.00 60.33 H new ATOM 0 HZ3 LYS A 90 24.689 -76.840 -0.774 1.00 60.33 H new ATOM 1346 N TYR A 91 19.089 -76.507 -5.552 1.00 10.11 N ATOM 1347 CA TYR A 91 18.739 -75.639 -6.672 1.00 12.44 C ATOM 1348 C TYR A 91 17.237 -75.718 -6.950 1.00 44.40 C ATOM 1349 O TYR A 91 16.579 -74.708 -7.191 1.00 2.03 O ATOM 1350 CB TYR A 91 19.546 -76.051 -7.916 1.00 54.24 C ATOM 1351 CG TYR A 91 18.994 -75.523 -9.230 1.00 52.31 C ATOM 1352 CD1 TYR A 91 19.190 -74.200 -9.614 1.00 71.31 C ATOM 1353 CD2 TYR A 91 18.279 -76.356 -10.090 1.00 52.30 C ATOM 1354 CE1 TYR A 91 18.690 -73.724 -10.814 1.00 23.41 C ATOM 1355 CE2 TYR A 91 17.779 -75.886 -11.286 1.00 24.51 C ATOM 1356 CZ TYR A 91 17.985 -74.572 -11.644 1.00 4.44 C ATOM 1357 OH TYR A 91 17.487 -74.108 -12.839 1.00 53.33 O ATOM 0 H TYR A 91 19.593 -77.351 -5.824 1.00 10.11 H new ATOM 0 HA TYR A 91 18.985 -74.607 -6.421 1.00 12.44 H new ATOM 0 HB2 TYR A 91 20.572 -75.700 -7.800 1.00 54.24 H new ATOM 0 HB3 TYR A 91 19.585 -77.139 -7.964 1.00 54.24 H new ATOM 0 HD1 TYR A 91 19.741 -73.534 -8.966 1.00 71.31 H new ATOM 0 HD2 TYR A 91 18.114 -77.387 -9.814 1.00 52.30 H new ATOM 0 HE1 TYR A 91 18.851 -72.695 -11.099 1.00 23.41 H new ATOM 0 HE2 TYR A 91 17.228 -76.546 -11.940 1.00 24.51 H new ATOM 0 HH TYR A 91 16.528 -73.927 -12.746 1.00 53.33 H new ATOM 1367 N LEU A 92 16.708 -76.933 -6.894 1.00 51.34 N ATOM 1368 CA LEU A 92 15.295 -77.186 -7.155 1.00 60.14 C ATOM 1369 C LEU A 92 14.444 -76.466 -6.107 1.00 5.34 C ATOM 1370 O LEU A 92 13.385 -75.917 -6.408 1.00 21.55 O ATOM 1371 CB LEU A 92 15.026 -78.708 -7.119 1.00 42.10 C ATOM 1372 CG LEU A 92 13.966 -79.239 -8.103 1.00 14.12 C ATOM 1373 CD1 LEU A 92 12.604 -78.593 -7.865 1.00 1.11 C ATOM 1374 CD2 LEU A 92 14.424 -79.033 -9.546 1.00 4.50 C ATOM 0 H LEU A 92 17.244 -77.770 -6.667 1.00 51.34 H new ATOM 0 HA LEU A 92 15.030 -76.807 -8.142 1.00 60.14 H new ATOM 0 HB2 LEU A 92 15.965 -79.226 -7.316 1.00 42.10 H new ATOM 0 HB3 LEU A 92 14.719 -78.977 -6.108 1.00 42.10 H new ATOM 0 HG LEU A 92 13.853 -80.309 -7.926 1.00 14.12 H new ATOM 0 HD11 LEU A 92 11.882 -78.992 -8.578 1.00 1.11 H new ATOM 0 HD12 LEU A 92 12.270 -78.811 -6.850 1.00 1.11 H new ATOM 0 HD13 LEU A 92 12.685 -77.514 -7.997 1.00 1.11 H new ATOM 0 HD21 LEU A 92 13.663 -79.414 -10.227 1.00 4.50 H new ATOM 0 HD22 LEU A 92 14.577 -77.970 -9.731 1.00 4.50 H new ATOM 0 HD23 LEU A 92 15.359 -79.568 -9.711 1.00 4.50 H new ATOM 1386 N HIS A 93 14.941 -76.461 -4.871 1.00 5.42 N ATOM 1387 CA HIS A 93 14.242 -75.834 -3.750 1.00 23.34 C ATOM 1388 C HIS A 93 14.243 -74.305 -3.862 1.00 11.23 C ATOM 1389 O HIS A 93 13.634 -73.621 -3.036 1.00 14.15 O ATOM 1390 CB HIS A 93 14.865 -76.270 -2.413 1.00 35.40 C ATOM 1391 CG HIS A 93 14.597 -77.703 -2.053 1.00 30.45 C ATOM 1392 ND1 HIS A 93 14.757 -78.205 -0.779 1.00 2.31 N ATOM 1393 CD2 HIS A 93 14.172 -78.744 -2.810 1.00 73.34 C ATOM 1394 CE1 HIS A 93 14.442 -79.487 -0.767 1.00 65.23 C ATOM 1395 NE2 HIS A 93 14.083 -79.839 -1.987 1.00 2.30 N ATOM 0 H HIS A 93 15.833 -76.888 -4.619 1.00 5.42 H new ATOM 0 HA HIS A 93 13.205 -76.168 -3.785 1.00 23.34 H new ATOM 0 HB2 HIS A 93 15.943 -76.113 -2.458 1.00 35.40 H new ATOM 0 HB3 HIS A 93 14.482 -75.629 -1.619 1.00 35.40 H new ATOM 0 HD2 HIS A 93 13.945 -78.717 -3.866 1.00 73.34 H new ATOM 0 HE1 HIS A 93 14.473 -80.137 0.095 1.00 65.23 H new ATOM 0 HE2 HIS A 93 13.787 -80.773 -2.272 1.00 2.30 H new ATOM 1404 N LYS A 94 14.936 -73.768 -4.869 1.00 64.43 N ATOM 1405 CA LYS A 94 14.909 -72.330 -5.126 1.00 13.01 C ATOM 1406 C LYS A 94 13.564 -71.946 -5.732 1.00 4.10 C ATOM 1407 O LYS A 94 13.027 -70.869 -5.454 1.00 53.20 O ATOM 1408 CB LYS A 94 16.049 -71.901 -6.062 1.00 13.44 C ATOM 1409 CG LYS A 94 17.450 -72.118 -5.492 1.00 34.11 C ATOM 1410 CD LYS A 94 17.623 -71.451 -4.128 1.00 31.12 C ATOM 1411 CE LYS A 94 19.080 -71.444 -3.676 1.00 75.41 C ATOM 1412 NZ LYS A 94 19.699 -72.795 -3.727 1.00 1.31 N ATOM 0 H LYS A 94 15.517 -74.304 -5.514 1.00 64.43 H new ATOM 0 HA LYS A 94 15.048 -71.812 -4.177 1.00 13.01 H new ATOM 0 HB2 LYS A 94 15.961 -72.453 -6.998 1.00 13.44 H new ATOM 0 HB3 LYS A 94 15.927 -70.845 -6.302 1.00 13.44 H new ATOM 0 HG2 LYS A 94 17.642 -73.187 -5.400 1.00 34.11 H new ATOM 0 HG3 LYS A 94 18.190 -71.720 -6.187 1.00 34.11 H new ATOM 0 HD2 LYS A 94 17.253 -70.427 -4.176 1.00 31.12 H new ATOM 0 HD3 LYS A 94 17.017 -71.975 -3.389 1.00 31.12 H new ATOM 0 HE2 LYS A 94 19.650 -70.763 -4.308 1.00 75.41 H new ATOM 0 HE3 LYS A 94 19.139 -71.059 -2.658 1.00 75.41 H new ATOM 0 HZ1 LYS A 94 20.346 -72.911 -2.921 1.00 1.31 H new ATOM 0 HZ2 LYS A 94 18.955 -73.520 -3.681 1.00 1.31 H new ATOM 0 HZ3 LYS A 94 20.230 -72.900 -4.615 1.00 1.31 H new ATOM 1426 N GLY A 95 13.018 -72.851 -6.539 1.00 31.54 N ATOM 1427 CA GLY A 95 11.739 -72.621 -7.181 1.00 21.24 C ATOM 1428 C GLY A 95 11.859 -71.793 -8.446 1.00 10.52 C ATOM 1429 O GLY A 95 12.930 -71.262 -8.750 1.00 3.03 O ATOM 0 H GLY A 95 13.446 -73.750 -6.761 1.00 31.54 H new ATOM 0 HA2 GLY A 95 11.280 -73.580 -7.422 1.00 21.24 H new ATOM 0 HA3 GLY A 95 11.072 -72.115 -6.483 1.00 21.24 H new ATOM 1433 N SER A 96 10.761 -71.696 -9.190 1.00 75.45 N ATOM 1434 CA SER A 96 10.712 -70.900 -10.410 1.00 64.44 C ATOM 1435 C SER A 96 11.021 -69.429 -10.103 1.00 73.22 C ATOM 1436 O SER A 96 10.687 -68.937 -9.023 1.00 41.20 O ATOM 1437 CB SER A 96 9.327 -71.041 -11.051 1.00 73.31 C ATOM 1438 OG SER A 96 9.001 -72.407 -11.250 1.00 75.44 O ATOM 0 H SER A 96 9.884 -72.165 -8.965 1.00 75.45 H new ATOM 0 HA SER A 96 11.467 -71.262 -11.108 1.00 64.44 H new ATOM 0 HB2 SER A 96 8.577 -70.573 -10.414 1.00 73.31 H new ATOM 0 HB3 SER A 96 9.308 -70.515 -12.006 1.00 73.31 H new ATOM 0 HG SER A 96 8.113 -72.475 -11.658 1.00 75.44 H new ATOM 1444 N PRO A 97 11.654 -68.702 -11.050 1.00 15.32 N ATOM 1445 CA PRO A 97 12.116 -67.324 -10.818 1.00 63.34 C ATOM 1446 C PRO A 97 11.004 -66.397 -10.320 1.00 3.15 C ATOM 1447 O PRO A 97 11.157 -65.710 -9.304 1.00 13.01 O ATOM 1448 CB PRO A 97 12.615 -66.875 -12.206 1.00 53.52 C ATOM 1449 CG PRO A 97 12.960 -68.142 -12.909 1.00 13.42 C ATOM 1450 CD PRO A 97 11.967 -69.162 -12.419 1.00 51.42 C ATOM 0 HA PRO A 97 12.878 -67.282 -10.039 1.00 63.34 H new ATOM 0 HB2 PRO A 97 11.846 -66.320 -12.743 1.00 53.52 H new ATOM 0 HB3 PRO A 97 13.482 -66.219 -12.123 1.00 53.52 H new ATOM 0 HG2 PRO A 97 12.895 -68.020 -13.990 1.00 13.42 H new ATOM 0 HG3 PRO A 97 13.981 -68.450 -12.684 1.00 13.42 H new ATOM 0 HD2 PRO A 97 11.077 -69.191 -13.047 1.00 51.42 H new ATOM 0 HD3 PRO A 97 12.389 -70.167 -12.419 1.00 51.42 H new ATOM 1458 N LYS A 98 9.878 -66.403 -11.027 1.00 53.54 N ATOM 1459 CA LYS A 98 8.778 -65.481 -10.747 1.00 24.34 C ATOM 1460 C LYS A 98 7.543 -66.222 -10.232 1.00 74.31 C ATOM 1461 O LYS A 98 6.534 -65.597 -9.901 1.00 21.32 O ATOM 1462 CB LYS A 98 8.418 -64.699 -12.019 1.00 51.22 C ATOM 1463 CG LYS A 98 7.907 -65.582 -13.155 1.00 43.41 C ATOM 1464 CD LYS A 98 7.530 -64.769 -14.391 1.00 31.02 C ATOM 1465 CE LYS A 98 6.406 -63.776 -14.104 1.00 2.21 C ATOM 1466 NZ LYS A 98 6.045 -62.987 -15.310 1.00 75.23 N ATOM 0 H LYS A 98 9.701 -67.040 -11.804 1.00 53.54 H new ATOM 0 HA LYS A 98 9.108 -64.792 -9.970 1.00 24.34 H new ATOM 0 HB2 LYS A 98 7.657 -63.957 -11.776 1.00 51.22 H new ATOM 0 HB3 LYS A 98 9.297 -64.154 -12.361 1.00 51.22 H new ATOM 0 HG2 LYS A 98 8.674 -66.310 -13.421 1.00 43.41 H new ATOM 0 HG3 LYS A 98 7.038 -66.145 -12.813 1.00 43.41 H new ATOM 0 HD2 LYS A 98 8.406 -64.230 -14.751 1.00 31.02 H new ATOM 0 HD3 LYS A 98 7.221 -65.445 -15.189 1.00 31.02 H new ATOM 0 HE2 LYS A 98 5.528 -64.314 -13.746 1.00 2.21 H new ATOM 0 HE3 LYS A 98 6.713 -63.100 -13.306 1.00 2.21 H new ATOM 0 HZ1 LYS A 98 5.279 -62.324 -15.075 1.00 75.23 H new ATOM 0 HZ2 LYS A 98 6.876 -62.454 -15.637 1.00 75.23 H new ATOM 0 HZ3 LYS A 98 5.728 -63.630 -16.063 1.00 75.23 H new ATOM 1480 N SER A 99 7.627 -67.545 -10.159 1.00 22.33 N ATOM 1481 CA SER A 99 6.490 -68.366 -9.755 1.00 33.13 C ATOM 1482 C SER A 99 6.839 -69.158 -8.498 1.00 51.15 C ATOM 1483 O SER A 99 7.970 -69.623 -8.342 1.00 65.20 O ATOM 1484 CB SER A 99 6.085 -69.306 -10.902 1.00 24.15 C ATOM 1485 OG SER A 99 4.891 -70.012 -10.603 1.00 42.35 O ATOM 0 H SER A 99 8.472 -68.074 -10.375 1.00 22.33 H new ATOM 0 HA SER A 99 5.642 -67.719 -9.528 1.00 33.13 H new ATOM 0 HB2 SER A 99 5.947 -68.728 -11.816 1.00 24.15 H new ATOM 0 HB3 SER A 99 6.890 -70.016 -11.093 1.00 24.15 H new ATOM 0 HG SER A 99 4.661 -70.599 -11.353 1.00 42.35 H new ATOM 1491 N VAL A 100 5.871 -69.290 -7.599 1.00 74.22 N ATOM 1492 CA VAL A 100 6.079 -69.980 -6.332 1.00 45.42 C ATOM 1493 C VAL A 100 5.821 -71.477 -6.491 1.00 51.00 C ATOM 1494 O VAL A 100 4.874 -71.883 -7.166 1.00 74.34 O ATOM 1495 CB VAL A 100 5.154 -69.408 -5.225 1.00 21.34 C ATOM 1496 CG1 VAL A 100 5.361 -70.142 -3.898 1.00 13.01 C ATOM 1497 CG2 VAL A 100 5.390 -67.907 -5.057 1.00 20.43 C ATOM 0 H VAL A 100 4.927 -68.925 -7.726 1.00 74.22 H new ATOM 0 HA VAL A 100 7.116 -69.822 -6.035 1.00 45.42 H new ATOM 0 HB VAL A 100 4.120 -69.564 -5.533 1.00 21.34 H new ATOM 0 HG11 VAL A 100 4.700 -69.720 -3.142 1.00 13.01 H new ATOM 0 HG12 VAL A 100 5.134 -71.200 -4.028 1.00 13.01 H new ATOM 0 HG13 VAL A 100 6.397 -70.030 -3.578 1.00 13.01 H new ATOM 0 HG21 VAL A 100 4.734 -67.521 -4.277 1.00 20.43 H new ATOM 0 HG22 VAL A 100 6.429 -67.731 -4.777 1.00 20.43 H new ATOM 0 HG23 VAL A 100 5.176 -67.398 -5.997 1.00 20.43 H new ATOM 1507 N VAL A 101 6.680 -72.294 -5.888 1.00 73.33 N ATOM 1508 CA VAL A 101 6.499 -73.741 -5.888 1.00 33.12 C ATOM 1509 C VAL A 101 5.697 -74.170 -4.663 1.00 14.21 C ATOM 1510 O VAL A 101 5.852 -73.607 -3.575 1.00 71.23 O ATOM 1511 CB VAL A 101 7.854 -74.494 -5.917 1.00 1.53 C ATOM 1512 CG1 VAL A 101 8.581 -74.238 -7.234 1.00 0.11 C ATOM 1513 CG2 VAL A 101 8.732 -74.096 -4.729 1.00 23.20 C ATOM 0 H VAL A 101 7.512 -71.976 -5.391 1.00 73.33 H new ATOM 0 HA VAL A 101 5.953 -74.002 -6.795 1.00 33.12 H new ATOM 0 HB VAL A 101 7.648 -75.561 -5.838 1.00 1.53 H new ATOM 0 HG11 VAL A 101 9.530 -74.774 -7.236 1.00 0.11 H new ATOM 0 HG12 VAL A 101 7.965 -74.586 -8.063 1.00 0.11 H new ATOM 0 HG13 VAL A 101 8.768 -73.170 -7.345 1.00 0.11 H new ATOM 0 HG21 VAL A 101 9.676 -74.640 -4.776 1.00 23.20 H new ATOM 0 HG22 VAL A 101 8.929 -73.024 -4.765 1.00 23.20 H new ATOM 0 HG23 VAL A 101 8.218 -74.340 -3.799 1.00 23.20 H new ATOM 1523 N LYS A 102 4.830 -75.155 -4.851 1.00 25.24 N ATOM 1524 CA LYS A 102 3.972 -75.645 -3.782 1.00 22.23 C ATOM 1525 C LYS A 102 4.643 -76.794 -3.035 1.00 52.51 C ATOM 1526 O LYS A 102 4.783 -76.755 -1.809 1.00 64.20 O ATOM 1527 CB LYS A 102 2.622 -76.103 -4.359 1.00 14.41 C ATOM 1528 CG LYS A 102 1.659 -76.664 -3.318 1.00 2.24 C ATOM 1529 CD LYS A 102 1.243 -75.607 -2.296 1.00 35.55 C ATOM 1530 CE LYS A 102 0.288 -76.177 -1.253 1.00 34.44 C ATOM 1531 NZ LYS A 102 -0.925 -76.783 -1.873 1.00 11.03 N ATOM 0 H LYS A 102 4.702 -75.634 -5.742 1.00 25.24 H new ATOM 0 HA LYS A 102 3.800 -74.832 -3.076 1.00 22.23 H new ATOM 0 HB2 LYS A 102 2.148 -75.259 -4.860 1.00 14.41 H new ATOM 0 HB3 LYS A 102 2.803 -76.864 -5.119 1.00 14.41 H new ATOM 0 HG2 LYS A 102 0.772 -77.054 -3.817 1.00 2.24 H new ATOM 0 HG3 LYS A 102 2.129 -77.501 -2.803 1.00 2.24 H new ATOM 0 HD2 LYS A 102 2.129 -75.211 -1.800 1.00 35.55 H new ATOM 0 HD3 LYS A 102 0.765 -74.772 -2.809 1.00 35.55 H new ATOM 0 HE2 LYS A 102 0.807 -76.931 -0.661 1.00 34.44 H new ATOM 0 HE3 LYS A 102 -0.013 -75.385 -0.567 1.00 34.44 H new ATOM 0 HZ1 LYS A 102 -1.647 -76.941 -1.141 1.00 11.03 H new ATOM 0 HZ2 LYS A 102 -1.302 -76.140 -2.598 1.00 11.03 H new ATOM 0 HZ3 LYS A 102 -0.673 -77.691 -2.313 1.00 11.03 H new ATOM 1545 N LYS A 103 5.066 -77.812 -3.776 1.00 12.03 N ATOM 1546 CA LYS A 103 5.630 -79.015 -3.177 1.00 72.44 C ATOM 1547 C LYS A 103 6.693 -79.625 -4.085 1.00 14.24 C ATOM 1548 O LYS A 103 6.473 -79.785 -5.287 1.00 53.50 O ATOM 1549 CB LYS A 103 4.511 -80.039 -2.924 1.00 61.22 C ATOM 1550 CG LYS A 103 4.948 -81.260 -2.121 1.00 3.35 C ATOM 1551 CD LYS A 103 5.332 -80.883 -0.693 1.00 22.31 C ATOM 1552 CE LYS A 103 5.657 -82.109 0.154 1.00 15.43 C ATOM 1553 NZ LYS A 103 5.942 -81.740 1.567 1.00 35.52 N ATOM 0 H LYS A 103 5.029 -77.828 -4.795 1.00 12.03 H new ATOM 0 HA LYS A 103 6.099 -78.745 -2.231 1.00 72.44 H new ATOM 0 HB2 LYS A 103 3.695 -79.545 -2.397 1.00 61.22 H new ATOM 0 HB3 LYS A 103 4.115 -80.372 -3.884 1.00 61.22 H new ATOM 0 HG2 LYS A 103 4.140 -81.991 -2.100 1.00 3.35 H new ATOM 0 HG3 LYS A 103 5.796 -81.736 -2.613 1.00 3.35 H new ATOM 0 HD2 LYS A 103 6.195 -80.217 -0.713 1.00 22.31 H new ATOM 0 HD3 LYS A 103 4.514 -80.330 -0.232 1.00 22.31 H new ATOM 0 HE2 LYS A 103 4.820 -82.806 0.121 1.00 15.43 H new ATOM 0 HE3 LYS A 103 6.519 -82.625 -0.268 1.00 15.43 H new ATOM 0 HZ1 LYS A 103 6.159 -82.598 2.113 1.00 35.52 H new ATOM 0 HZ2 LYS A 103 6.756 -81.094 1.600 1.00 35.52 H new ATOM 0 HZ3 LYS A 103 5.110 -81.269 1.977 1.00 35.52 H new ATOM 1567 N VAL A 104 7.846 -79.947 -3.507 1.00 20.25 N ATOM 1568 CA VAL A 104 8.896 -80.670 -4.218 1.00 63.52 C ATOM 1569 C VAL A 104 8.933 -82.122 -3.731 1.00 23.40 C ATOM 1570 O VAL A 104 8.966 -82.382 -2.522 1.00 41.12 O ATOM 1571 CB VAL A 104 10.286 -79.995 -4.039 1.00 12.25 C ATOM 1572 CG1 VAL A 104 10.673 -79.890 -2.564 1.00 24.45 C ATOM 1573 CG2 VAL A 104 11.361 -80.733 -4.838 1.00 13.11 C ATOM 0 H VAL A 104 8.078 -79.717 -2.541 1.00 20.25 H new ATOM 0 HA VAL A 104 8.666 -80.648 -5.283 1.00 63.52 H new ATOM 0 HB VAL A 104 10.211 -78.981 -4.431 1.00 12.25 H new ATOM 0 HG11 VAL A 104 11.650 -79.414 -2.477 1.00 24.45 H new ATOM 0 HG12 VAL A 104 9.930 -79.294 -2.034 1.00 24.45 H new ATOM 0 HG13 VAL A 104 10.716 -80.888 -2.127 1.00 24.45 H new ATOM 0 HG21 VAL A 104 12.323 -80.240 -4.695 1.00 13.11 H new ATOM 0 HG22 VAL A 104 11.427 -81.765 -4.493 1.00 13.11 H new ATOM 0 HG23 VAL A 104 11.101 -80.720 -5.896 1.00 13.11 H new ATOM 1583 N SER A 105 8.907 -83.062 -4.668 1.00 70.15 N ATOM 1584 CA SER A 105 8.806 -84.481 -4.350 1.00 14.10 C ATOM 1585 C SER A 105 9.886 -85.258 -5.092 1.00 74.04 C ATOM 1586 O SER A 105 9.999 -85.158 -6.315 1.00 24.02 O ATOM 1587 CB SER A 105 7.417 -85.005 -4.737 1.00 4.52 C ATOM 1588 OG SER A 105 6.394 -84.199 -4.174 1.00 72.03 O ATOM 0 H SER A 105 8.955 -82.863 -5.667 1.00 70.15 H new ATOM 0 HA SER A 105 8.948 -84.617 -3.278 1.00 14.10 H new ATOM 0 HB2 SER A 105 7.319 -85.018 -5.822 1.00 4.52 H new ATOM 0 HB3 SER A 105 7.304 -86.034 -4.395 1.00 4.52 H new ATOM 0 HG SER A 105 5.518 -84.552 -4.436 1.00 72.03 H new ATOM 1594 N ILE A 106 10.692 -86.006 -4.348 1.00 60.24 N ATOM 1595 CA ILE A 106 11.763 -86.805 -4.933 1.00 10.30 C ATOM 1596 C ILE A 106 11.440 -88.293 -4.776 1.00 61.14 C ATOM 1597 O ILE A 106 10.801 -88.688 -3.799 1.00 52.41 O ATOM 1598 CB ILE A 106 13.131 -86.491 -4.267 1.00 72.12 C ATOM 1599 CG1 ILE A 106 13.278 -84.981 -3.992 1.00 61.14 C ATOM 1600 CG2 ILE A 106 14.270 -86.973 -5.159 1.00 61.45 C ATOM 1601 CD1 ILE A 106 13.257 -84.118 -5.239 1.00 61.02 C ATOM 0 H ILE A 106 10.624 -86.076 -3.333 1.00 60.24 H new ATOM 0 HA ILE A 106 11.836 -86.553 -5.991 1.00 10.30 H new ATOM 0 HB ILE A 106 13.175 -87.017 -3.314 1.00 72.12 H new ATOM 0 HG12 ILE A 106 12.472 -84.663 -3.330 1.00 61.14 H new ATOM 0 HG13 ILE A 106 14.214 -84.809 -3.460 1.00 61.14 H new ATOM 0 HG21 ILE A 106 15.225 -86.748 -4.683 1.00 61.45 H new ATOM 0 HG22 ILE A 106 14.184 -88.049 -5.309 1.00 61.45 H new ATOM 0 HG23 ILE A 106 14.217 -86.467 -6.123 1.00 61.45 H new ATOM 0 HD11 ILE A 106 13.366 -83.070 -4.958 1.00 61.02 H new ATOM 0 HD12 ILE A 106 14.079 -84.405 -5.894 1.00 61.02 H new ATOM 0 HD13 ILE A 106 12.311 -84.257 -5.762 1.00 61.02 H new ATOM 1613 N HIS A 107 11.879 -89.116 -5.728 1.00 62.33 N ATOM 1614 CA HIS A 107 11.545 -90.542 -5.722 1.00 42.21 C ATOM 1615 C HIS A 107 12.792 -91.398 -5.972 1.00 3.14 C ATOM 1616 O HIS A 107 13.720 -90.985 -6.666 1.00 44.31 O ATOM 1617 CB HIS A 107 10.463 -90.841 -6.773 1.00 1.15 C ATOM 1618 CG HIS A 107 9.822 -92.197 -6.637 1.00 52.33 C ATOM 1619 ND1 HIS A 107 10.261 -93.313 -7.317 1.00 63.51 N ATOM 1620 CD2 HIS A 107 8.757 -92.606 -5.903 1.00 51.43 C ATOM 1621 CE1 HIS A 107 9.498 -94.346 -7.008 1.00 61.40 C ATOM 1622 NE2 HIS A 107 8.579 -93.944 -6.153 1.00 21.31 N ATOM 0 H HIS A 107 12.464 -88.823 -6.510 1.00 62.33 H new ATOM 0 HA HIS A 107 11.154 -90.798 -4.737 1.00 42.21 H new ATOM 0 HB2 HIS A 107 9.688 -90.078 -6.706 1.00 1.15 H new ATOM 0 HB3 HIS A 107 10.906 -90.760 -7.766 1.00 1.15 H new ATOM 0 HD2 HIS A 107 8.160 -91.993 -5.244 1.00 51.43 H new ATOM 0 HE1 HIS A 107 9.608 -95.350 -7.391 1.00 61.40 H new ATOM 0 HE2 HIS A 107 7.853 -94.532 -5.743 1.00 21.31 H new ATOM 1631 N ALA A 108 12.752 -92.611 -5.429 1.00 62.21 N ATOM 1632 CA ALA A 108 13.875 -93.560 -5.412 1.00 71.54 C ATOM 1633 C ALA A 108 14.232 -94.139 -6.792 1.00 51.20 C ATOM 1634 O ALA A 108 15.073 -95.034 -6.873 1.00 13.21 O ATOM 1635 CB ALA A 108 13.575 -94.689 -4.432 1.00 1.01 C ATOM 0 H ALA A 108 11.916 -92.977 -4.974 1.00 62.21 H new ATOM 0 HA ALA A 108 14.750 -92.994 -5.093 1.00 71.54 H new ATOM 0 HB1 ALA A 108 14.408 -95.392 -4.420 1.00 1.01 H new ATOM 0 HB2 ALA A 108 13.435 -94.276 -3.433 1.00 1.01 H new ATOM 0 HB3 ALA A 108 12.667 -95.207 -4.741 1.00 1.01 H new ATOM 1641 N SER A 109 13.617 -93.640 -7.862 1.00 22.12 N ATOM 1642 CA SER A 109 13.596 -94.344 -9.146 1.00 13.31 C ATOM 1643 C SER A 109 15.004 -94.598 -9.697 1.00 70.35 C ATOM 1644 O SER A 109 15.895 -93.757 -9.584 1.00 20.01 O ATOM 1645 CB SER A 109 12.811 -93.506 -10.156 1.00 75.32 C ATOM 1646 OG SER A 109 11.490 -93.262 -9.699 1.00 74.32 O ATOM 0 H SER A 109 13.124 -92.747 -7.867 1.00 22.12 H new ATOM 0 HA SER A 109 13.125 -95.314 -8.985 1.00 13.31 H new ATOM 0 HB2 SER A 109 13.323 -92.558 -10.323 1.00 75.32 H new ATOM 0 HB3 SER A 109 12.778 -94.023 -11.115 1.00 75.32 H new ATOM 0 HG SER A 109 11.401 -93.573 -8.774 1.00 74.32 H new ATOM 1652 N SER A 110 15.172 -95.780 -10.296 1.00 53.15 N ATOM 1653 CA SER A 110 16.471 -96.275 -10.743 1.00 44.34 C ATOM 1654 C SER A 110 16.955 -95.562 -12.010 1.00 21.33 C ATOM 1655 O SER A 110 16.230 -94.763 -12.608 1.00 40.12 O ATOM 1656 CB SER A 110 16.376 -97.785 -10.995 1.00 20.12 C ATOM 1657 OG SER A 110 15.811 -98.454 -9.877 1.00 61.20 O ATOM 0 H SER A 110 14.403 -96.423 -10.484 1.00 53.15 H new ATOM 0 HA SER A 110 17.199 -96.069 -9.958 1.00 44.34 H new ATOM 0 HB2 SER A 110 15.768 -97.972 -11.880 1.00 20.12 H new ATOM 0 HB3 SER A 110 17.369 -98.186 -11.200 1.00 20.12 H new ATOM 0 HG SER A 110 15.759 -99.415 -10.063 1.00 61.20 H new ATOM 1663 N ARG A 111 18.185 -95.887 -12.414 1.00 10.21 N ATOM 1664 CA ARG A 111 18.846 -95.249 -13.551 1.00 70.34 C ATOM 1665 C ARG A 111 18.003 -95.363 -14.827 1.00 33.55 C ATOM 1666 O ARG A 111 17.436 -96.422 -15.116 1.00 43.23 O ATOM 1667 CB ARG A 111 20.224 -95.895 -13.762 1.00 25.13 C ATOM 1668 CG ARG A 111 21.141 -95.118 -14.700 1.00 15.51 C ATOM 1669 CD ARG A 111 22.511 -95.776 -14.824 1.00 32.52 C ATOM 1670 NE ARG A 111 23.451 -94.946 -15.580 1.00 21.10 N ATOM 1671 CZ ARG A 111 24.635 -95.372 -16.028 1.00 63.31 C ATOM 1672 NH1 ARG A 111 25.017 -96.628 -15.831 1.00 42.52 N ATOM 1673 NH2 ARG A 111 25.438 -94.539 -16.673 1.00 12.12 N ATOM 0 H ARG A 111 18.751 -96.603 -11.959 1.00 10.21 H new ATOM 0 HA ARG A 111 18.966 -94.188 -13.333 1.00 70.34 H new ATOM 0 HB2 ARG A 111 20.716 -95.999 -12.795 1.00 25.13 H new ATOM 0 HB3 ARG A 111 20.085 -96.901 -14.159 1.00 25.13 H new ATOM 0 HG2 ARG A 111 20.680 -95.050 -15.685 1.00 15.51 H new ATOM 0 HG3 ARG A 111 21.259 -94.099 -14.332 1.00 15.51 H new ATOM 0 HD2 ARG A 111 22.914 -95.966 -13.829 1.00 32.52 H new ATOM 0 HD3 ARG A 111 22.406 -96.744 -15.315 1.00 32.52 H new ATOM 0 HE ARG A 111 23.185 -93.981 -15.777 1.00 21.10 H new ATOM 0 HH11 ARG A 111 24.405 -97.275 -15.334 1.00 42.52 H new ATOM 0 HH12 ARG A 111 25.923 -96.946 -16.176 1.00 42.52 H new ATOM 0 HH21 ARG A 111 25.152 -93.572 -16.828 1.00 12.12 H new ATOM 0 HH22 ARG A 111 26.342 -94.864 -17.015 1.00 12.12 H new ATOM 1687 N VAL A 112 17.920 -94.263 -15.574 1.00 42.33 N ATOM 1688 CA VAL A 112 17.139 -94.197 -16.813 1.00 22.53 C ATOM 1689 C VAL A 112 17.971 -93.581 -17.941 1.00 21.24 C ATOM 1690 O VAL A 112 19.122 -93.187 -17.725 1.00 51.15 O ATOM 1691 CB VAL A 112 15.849 -93.356 -16.624 1.00 42.34 C ATOM 1692 CG1 VAL A 112 14.916 -93.998 -15.597 1.00 12.25 C ATOM 1693 CG2 VAL A 112 16.202 -91.926 -16.220 1.00 12.43 C ATOM 0 H VAL A 112 18.392 -93.390 -15.339 1.00 42.33 H new ATOM 0 HA VAL A 112 16.861 -95.218 -17.074 1.00 22.53 H new ATOM 0 HB VAL A 112 15.320 -93.326 -17.577 1.00 42.34 H new ATOM 0 HG11 VAL A 112 14.021 -93.386 -15.486 1.00 12.25 H new ATOM 0 HG12 VAL A 112 14.634 -94.995 -15.935 1.00 12.25 H new ATOM 0 HG13 VAL A 112 15.427 -94.071 -14.637 1.00 12.25 H new ATOM 0 HG21 VAL A 112 15.287 -91.348 -16.091 1.00 12.43 H new ATOM 0 HG22 VAL A 112 16.758 -91.939 -15.282 1.00 12.43 H new ATOM 0 HG23 VAL A 112 16.813 -91.469 -16.998 1.00 12.43 H new ATOM 1703 N ASP A 113 17.398 -93.540 -19.146 1.00 71.41 N ATOM 1704 CA ASP A 113 18.023 -92.864 -20.285 1.00 61.45 C ATOM 1705 C ASP A 113 17.928 -91.353 -20.097 1.00 54.52 C ATOM 1706 O ASP A 113 16.834 -90.813 -19.902 1.00 71.24 O ATOM 1707 CB ASP A 113 17.348 -93.263 -21.608 1.00 13.55 C ATOM 1708 CG ASP A 113 17.534 -94.732 -21.952 1.00 74.32 C ATOM 1709 OD1 ASP A 113 18.588 -95.089 -22.516 1.00 41.05 O ATOM 1710 OD2 ASP A 113 16.617 -95.537 -21.674 1.00 52.52 O ATOM 0 H ASP A 113 16.498 -93.969 -19.359 1.00 71.41 H new ATOM 0 HA ASP A 113 19.069 -93.168 -20.331 1.00 61.45 H new ATOM 0 HB2 ASP A 113 16.282 -93.042 -21.546 1.00 13.55 H new ATOM 0 HB3 ASP A 113 17.754 -92.653 -22.415 1.00 13.55 H new ATOM 1715 N ALA A 114 19.070 -90.681 -20.160 1.00 61.52 N ATOM 1716 CA ALA A 114 19.150 -89.252 -19.878 1.00 14.04 C ATOM 1717 C ALA A 114 19.129 -88.410 -21.156 1.00 42.21 C ATOM 1718 O ALA A 114 18.814 -88.906 -22.241 1.00 32.43 O ATOM 1719 CB ALA A 114 20.418 -88.962 -19.085 1.00 51.25 C ATOM 0 H ALA A 114 19.963 -91.107 -20.407 1.00 61.52 H new ATOM 0 HA ALA A 114 18.272 -88.977 -19.294 1.00 14.04 H new ATOM 0 HB1 ALA A 114 20.479 -87.894 -18.874 1.00 51.25 H new ATOM 0 HB2 ALA A 114 20.395 -89.517 -18.147 1.00 51.25 H new ATOM 0 HB3 ALA A 114 21.288 -89.267 -19.666 1.00 51.25 H new ATOM 1725 N ASP A 115 19.451 -87.119 -20.990 1.00 54.31 N ATOM 1726 CA ASP A 115 19.542 -86.155 -22.091 1.00 31.20 C ATOM 1727 C ASP A 115 18.157 -85.786 -22.608 1.00 74.33 C ATOM 1728 O ASP A 115 17.924 -85.708 -23.816 1.00 33.11 O ATOM 1729 CB ASP A 115 20.446 -86.665 -23.228 1.00 63.02 C ATOM 1730 CG ASP A 115 21.922 -86.562 -22.877 1.00 34.15 C ATOM 1731 OD1 ASP A 115 22.443 -85.423 -22.828 1.00 71.54 O ATOM 1732 OD2 ASP A 115 22.568 -87.607 -22.641 1.00 60.54 O ATOM 0 H ASP A 115 19.657 -86.713 -20.077 1.00 54.31 H new ATOM 0 HA ASP A 115 20.006 -85.252 -21.695 1.00 31.20 H new ATOM 0 HB2 ASP A 115 20.198 -87.703 -23.449 1.00 63.02 H new ATOM 0 HB3 ASP A 115 20.248 -86.090 -24.133 1.00 63.02 H new ATOM 1737 N GLY A 116 17.246 -85.529 -21.675 1.00 25.12 N ATOM 1738 CA GLY A 116 15.893 -85.132 -22.035 1.00 51.02 C ATOM 1739 C GLY A 116 15.388 -83.971 -21.216 1.00 52.42 C ATOM 1740 O GLY A 116 14.218 -83.917 -20.832 1.00 24.24 O ATOM 0 H GLY A 116 17.420 -85.588 -20.672 1.00 25.12 H new ATOM 0 HA2 GLY A 116 15.867 -84.864 -23.091 1.00 51.02 H new ATOM 0 HA3 GLY A 116 15.223 -85.982 -21.904 1.00 51.02 H new ATOM 1744 N PHE A 117 16.281 -83.065 -20.933 1.00 5.24 N ATOM 1745 CA PHE A 117 15.957 -81.868 -20.151 1.00 2.31 C ATOM 1746 C PHE A 117 15.126 -80.886 -20.981 1.00 32.41 C ATOM 1747 O PHE A 117 15.629 -80.315 -21.955 1.00 0.02 O ATOM 1748 CB PHE A 117 17.237 -81.162 -19.677 1.00 64.33 C ATOM 1749 CG PHE A 117 18.100 -81.981 -18.748 1.00 64.31 C ATOM 1750 CD1 PHE A 117 17.879 -81.960 -17.378 1.00 54.12 C ATOM 1751 CD2 PHE A 117 19.140 -82.756 -19.242 1.00 52.42 C ATOM 1752 CE1 PHE A 117 18.676 -82.694 -16.522 1.00 3.23 C ATOM 1753 CE2 PHE A 117 19.938 -83.492 -18.389 1.00 24.34 C ATOM 1754 CZ PHE A 117 19.707 -83.459 -17.028 1.00 43.44 C ATOM 0 H PHE A 117 17.256 -83.119 -21.229 1.00 5.24 H new ATOM 0 HA PHE A 117 15.379 -82.189 -19.284 1.00 2.31 H new ATOM 0 HB2 PHE A 117 17.828 -80.885 -20.550 1.00 64.33 H new ATOM 0 HB3 PHE A 117 16.960 -80.236 -19.172 1.00 64.33 H new ATOM 0 HD1 PHE A 117 17.074 -81.362 -16.977 1.00 54.12 H new ATOM 0 HD2 PHE A 117 19.327 -82.784 -20.305 1.00 52.42 H new ATOM 0 HE1 PHE A 117 18.493 -82.669 -15.458 1.00 3.23 H new ATOM 0 HE2 PHE A 117 20.743 -84.093 -18.786 1.00 24.34 H new ATOM 0 HZ PHE A 117 20.333 -84.032 -16.360 1.00 43.44 H new ATOM 1764 N GLU A 118 13.861 -80.693 -20.604 1.00 33.04 N ATOM 1765 CA GLU A 118 13.023 -79.682 -21.241 1.00 23.02 C ATOM 1766 C GLU A 118 11.816 -79.374 -20.367 1.00 63.02 C ATOM 1767 O GLU A 118 11.568 -80.054 -19.379 1.00 13.12 O ATOM 1768 CB GLU A 118 12.556 -80.178 -22.619 1.00 70.42 C ATOM 1769 CG GLU A 118 11.659 -81.410 -22.549 1.00 51.04 C ATOM 1770 CD GLU A 118 11.230 -81.920 -23.914 1.00 53.34 C ATOM 1771 OE1 GLU A 118 10.642 -81.135 -24.688 1.00 71.34 O ATOM 1772 OE2 GLU A 118 11.476 -83.106 -24.218 1.00 62.15 O ATOM 0 H GLU A 118 13.398 -81.222 -19.864 1.00 33.04 H new ATOM 0 HA GLU A 118 13.608 -78.772 -21.369 1.00 23.02 H new ATOM 0 HB2 GLU A 118 12.018 -79.375 -23.123 1.00 70.42 H new ATOM 0 HB3 GLU A 118 13.430 -80.408 -23.229 1.00 70.42 H new ATOM 0 HG2 GLU A 118 12.186 -82.205 -22.021 1.00 51.04 H new ATOM 0 HG3 GLU A 118 10.772 -81.172 -21.963 1.00 51.04 H new ATOM 1779 N ILE A 119 11.078 -78.328 -20.701 1.00 14.51 N ATOM 1780 CA ILE A 119 9.771 -78.117 -20.102 1.00 51.30 C ATOM 1781 C ILE A 119 8.717 -78.514 -21.122 1.00 62.21 C ATOM 1782 O ILE A 119 8.231 -77.696 -21.908 1.00 44.42 O ATOM 1783 CB ILE A 119 9.564 -76.657 -19.624 1.00 2.53 C ATOM 1784 CG1 ILE A 119 10.665 -76.272 -18.622 1.00 24.02 C ATOM 1785 CG2 ILE A 119 8.178 -76.480 -19.000 1.00 53.12 C ATOM 1786 CD1 ILE A 119 10.803 -77.231 -17.454 1.00 71.13 C ATOM 0 H ILE A 119 11.358 -77.618 -21.377 1.00 14.51 H new ATOM 0 HA ILE A 119 9.688 -78.735 -19.208 1.00 51.30 H new ATOM 0 HB ILE A 119 9.629 -75.995 -20.488 1.00 2.53 H new ATOM 0 HG12 ILE A 119 11.618 -76.218 -19.149 1.00 24.02 H new ATOM 0 HG13 ILE A 119 10.457 -75.274 -18.236 1.00 24.02 H new ATOM 0 HG21 ILE A 119 8.056 -75.448 -18.672 1.00 53.12 H new ATOM 0 HG22 ILE A 119 7.413 -76.719 -19.739 1.00 53.12 H new ATOM 0 HG23 ILE A 119 8.077 -77.147 -18.144 1.00 53.12 H new ATOM 0 HD11 ILE A 119 11.600 -76.889 -16.794 1.00 71.13 H new ATOM 0 HD12 ILE A 119 9.865 -77.268 -16.901 1.00 71.13 H new ATOM 0 HD13 ILE A 119 11.043 -78.227 -17.827 1.00 71.13 H new ATOM 1798 N ARG A 120 8.416 -79.802 -21.118 1.00 2.03 N ATOM 1799 CA ARG A 120 7.524 -80.412 -22.074 1.00 61.44 C ATOM 1800 C ARG A 120 6.073 -80.179 -21.682 1.00 32.31 C ATOM 1801 O ARG A 120 5.615 -80.704 -20.675 1.00 1.25 O ATOM 1802 CB ARG A 120 7.821 -81.910 -22.096 1.00 4.12 C ATOM 1803 CG ARG A 120 7.376 -82.614 -23.355 1.00 2.23 C ATOM 1804 CD ARG A 120 7.624 -84.113 -23.254 1.00 30.01 C ATOM 1805 NE ARG A 120 7.232 -84.831 -24.465 1.00 3.51 N ATOM 1806 CZ ARG A 120 6.575 -85.990 -24.465 1.00 12.41 C ATOM 1807 NH1 ARG A 120 6.123 -86.503 -23.325 1.00 3.32 N ATOM 1808 NH2 ARG A 120 6.343 -86.619 -25.605 1.00 2.32 N ATOM 0 H ARG A 120 8.794 -80.459 -20.436 1.00 2.03 H new ATOM 0 HA ARG A 120 7.678 -79.972 -23.059 1.00 61.44 H new ATOM 0 HB2 ARG A 120 8.894 -82.058 -21.971 1.00 4.12 H new ATOM 0 HB3 ARG A 120 7.333 -82.378 -21.241 1.00 4.12 H new ATOM 0 HG2 ARG A 120 6.316 -82.427 -23.526 1.00 2.23 H new ATOM 0 HG3 ARG A 120 7.913 -82.209 -24.213 1.00 2.23 H new ATOM 0 HD2 ARG A 120 8.681 -84.290 -23.058 1.00 30.01 H new ATOM 0 HD3 ARG A 120 7.071 -84.513 -22.404 1.00 30.01 H new ATOM 0 HE ARG A 120 7.476 -84.419 -25.366 1.00 3.51 H new ATOM 0 HH11 ARG A 120 6.279 -86.009 -22.446 1.00 3.32 H new ATOM 0 HH12 ARG A 120 5.620 -87.391 -23.329 1.00 3.32 H new ATOM 0 HH21 ARG A 120 6.667 -86.217 -26.485 1.00 2.32 H new ATOM 0 HH22 ARG A 120 5.840 -87.506 -25.605 1.00 2.32 H new ATOM 1822 N ARG A 121 5.358 -79.387 -22.461 1.00 14.01 N ATOM 1823 CA ARG A 121 3.936 -79.166 -22.220 1.00 75.33 C ATOM 1824 C ARG A 121 3.126 -79.806 -23.345 1.00 64.21 C ATOM 1825 O ARG A 121 3.109 -79.240 -24.460 1.00 51.44 O ATOM 1826 CB ARG A 121 3.623 -77.666 -22.113 1.00 72.42 C ATOM 1827 CG ARG A 121 4.478 -76.926 -21.085 1.00 14.51 C ATOM 1828 CD ARG A 121 3.970 -75.507 -20.847 1.00 12.45 C ATOM 1829 NE ARG A 121 4.929 -74.690 -20.097 1.00 4.53 N ATOM 1830 CZ ARG A 121 4.635 -74.002 -18.992 1.00 42.14 C ATOM 1831 NH1 ARG A 121 3.447 -74.134 -18.411 1.00 1.44 N ATOM 1832 NH2 ARG A 121 5.546 -73.204 -18.459 1.00 65.01 N ATOM 1833 OXT ARG A 121 2.528 -80.880 -23.120 1.00 0.00 O ATOM 0 H ARG A 121 5.734 -78.885 -23.265 1.00 14.01 H new ATOM 0 HA ARG A 121 3.662 -79.628 -21.272 1.00 75.33 H new ATOM 0 HB2 ARG A 121 3.767 -77.204 -23.090 1.00 72.42 H new ATOM 0 HB3 ARG A 121 2.572 -77.542 -21.853 1.00 72.42 H new ATOM 0 HG2 ARG A 121 4.474 -77.477 -20.144 1.00 14.51 H new ATOM 0 HG3 ARG A 121 5.512 -76.890 -21.429 1.00 14.51 H new ATOM 0 HD2 ARG A 121 3.764 -75.032 -21.806 1.00 12.45 H new ATOM 0 HD3 ARG A 121 3.027 -75.548 -20.302 1.00 12.45 H new ATOM 0 HE ARG A 121 5.887 -74.644 -20.444 1.00 4.53 H new ATOM 0 HH11 ARG A 121 2.752 -74.765 -18.809 1.00 1.44 H new ATOM 0 HH12 ARG A 121 3.231 -73.604 -17.567 1.00 1.44 H new ATOM 0 HH21 ARG A 121 6.465 -73.118 -18.893 1.00 65.01 H new ATOM 0 HH22 ARG A 121 5.329 -72.675 -17.614 1.00 65.01 H new