USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 449 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 97 ASN : amide:sc= 1.07 K(o=2.3,f=-1.6) USER MOD Set 1.2: A 108 THR OG1 : rot -88:sc= 1.27 USER MOD Set 2.1: A 83 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 102 LYS NZ :NH3+ 158:sc= 1.29 (180deg=-0.326) USER MOD Set 3.1: A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 80 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 56 GLN : amide:sc= 1.1 K(o=1.1,f=-0.41) USER MOD Set 4.2: A 59 GLN : amide:sc= 0 X(o=1.1,f=0.63) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -29:sc= 0.0593 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 89 ASN :FLIP amide:sc= -0.21 F(o=-0.76,f=-0.21) USER MOD Single : A 93 GLN :FLIP amide:sc= -0.0176 F(o=-2.4!,f=-0.018) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot -72:sc= 1.01 USER MOD Single : A 105 GLN : amide:sc= -1.78! C(o=-1.8!,f=-6.5!) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 659 N GLU A 46 19.447 76.097 -15.010 1.00 65.21 N ATOM 660 CA GLU A 46 18.981 74.896 -14.337 1.00 41.54 C ATOM 661 C GLU A 46 20.123 73.901 -14.193 1.00 5.12 C ATOM 662 O GLU A 46 20.924 73.719 -15.111 1.00 43.23 O ATOM 663 CB GLU A 46 17.811 74.264 -15.096 1.00 55.55 C ATOM 664 CG GLU A 46 16.532 75.088 -15.030 1.00 14.53 C ATOM 665 CD GLU A 46 15.362 74.415 -15.723 1.00 0.14 C ATOM 666 OE1 GLU A 46 14.888 73.369 -15.226 1.00 65.32 O ATOM 667 OE2 GLU A 46 14.899 74.939 -16.754 1.00 5.55 O1- ATOM 0 HA GLU A 46 18.628 75.172 -13.343 1.00 41.54 H new ATOM 0 HB2 GLU A 46 18.095 74.130 -16.140 1.00 55.55 H new ATOM 0 HB3 GLU A 46 17.617 73.272 -14.689 1.00 55.55 H new ATOM 0 HG2 GLU A 46 16.275 75.268 -13.986 1.00 14.53 H new ATOM 0 HG3 GLU A 46 16.708 76.061 -15.488 1.00 14.53 H new ATOM 674 N THR A 47 20.195 73.267 -13.038 1.00 53.34 N ATOM 675 CA THR A 47 21.267 72.334 -12.738 1.00 11.21 C ATOM 676 C THR A 47 20.714 70.937 -12.453 1.00 2.33 C ATOM 677 O THR A 47 20.398 70.603 -11.306 1.00 31.14 O ATOM 678 CB THR A 47 22.106 72.814 -11.537 1.00 14.13 C ATOM 679 OG1 THR A 47 22.516 74.174 -11.748 1.00 60.32 O ATOM 680 CG2 THR A 47 23.338 71.939 -11.338 1.00 31.14 C ATOM 0 H THR A 47 19.517 73.382 -12.285 1.00 53.34 H new ATOM 0 HA THR A 47 21.910 72.287 -13.617 1.00 11.21 H new ATOM 0 HB THR A 47 21.488 72.745 -10.642 1.00 14.13 H new ATOM 0 HG1 THR A 47 23.048 74.478 -10.983 1.00 60.32 H new ATOM 0 HG21 THR A 47 23.909 72.303 -10.484 1.00 31.14 H new ATOM 0 HG22 THR A 47 23.028 70.910 -11.155 1.00 31.14 H new ATOM 0 HG23 THR A 47 23.960 71.977 -12.233 1.00 31.14 H new ATOM 688 N PRO A 48 20.535 70.119 -13.501 1.00 63.35 N ATOM 689 CA PRO A 48 20.044 68.749 -13.353 1.00 21.13 C ATOM 690 C PRO A 48 20.990 67.903 -12.507 1.00 23.22 C ATOM 691 O PRO A 48 22.194 67.856 -12.758 1.00 30.10 O ATOM 692 CB PRO A 48 19.985 68.219 -14.791 1.00 72.10 C ATOM 693 CG PRO A 48 20.877 69.118 -15.578 1.00 2.42 C ATOM 694 CD PRO A 48 20.817 70.458 -14.905 1.00 3.12 C ATOM 0 HA PRO A 48 19.081 68.711 -12.845 1.00 21.13 H new ATOM 0 HB2 PRO A 48 20.324 67.184 -14.843 1.00 72.10 H new ATOM 0 HB3 PRO A 48 18.966 68.240 -15.177 1.00 72.10 H new ATOM 0 HG2 PRO A 48 21.898 68.736 -15.595 1.00 2.42 H new ATOM 0 HG3 PRO A 48 20.545 69.187 -16.614 1.00 2.42 H new ATOM 0 HD2 PRO A 48 21.756 71.002 -15.007 1.00 3.12 H new ATOM 0 HD3 PRO A 48 20.036 71.088 -15.331 1.00 3.12 H new ATOM 702 N SER A 49 20.445 67.257 -11.494 1.00 1.52 N ATOM 703 CA SER A 49 21.238 66.412 -10.618 1.00 71.45 C ATOM 704 C SER A 49 20.695 64.983 -10.616 1.00 5.40 C ATOM 705 O SER A 49 21.453 64.014 -10.680 1.00 55.33 O ATOM 706 CB SER A 49 21.240 66.997 -9.203 1.00 4.01 C ATOM 707 OG SER A 49 21.677 68.349 -9.215 1.00 52.25 O ATOM 0 H SER A 49 19.454 67.301 -11.256 1.00 1.52 H new ATOM 0 HA SER A 49 22.264 66.379 -10.986 1.00 71.45 H new ATOM 0 HB2 SER A 49 20.237 66.938 -8.779 1.00 4.01 H new ATOM 0 HB3 SER A 49 21.893 66.405 -8.561 1.00 4.01 H new ATOM 0 HG SER A 49 21.669 68.704 -8.301 1.00 52.25 H new ATOM 713 N ALA A 50 19.376 64.862 -10.568 1.00 4.34 N ATOM 714 CA ALA A 50 18.730 63.558 -10.571 1.00 71.23 C ATOM 715 C ALA A 50 18.491 63.079 -11.996 1.00 52.43 C ATOM 716 O ALA A 50 18.600 61.893 -12.286 1.00 63.35 O ATOM 717 CB ALA A 50 17.418 63.615 -9.805 1.00 52.42 C ATOM 0 H ALA A 50 18.732 65.652 -10.526 1.00 4.34 H new ATOM 0 HA ALA A 50 19.392 62.847 -10.077 1.00 71.23 H new ATOM 0 HB1 ALA A 50 16.947 62.632 -9.816 1.00 52.42 H new ATOM 0 HB2 ALA A 50 17.611 63.913 -8.774 1.00 52.42 H new ATOM 0 HB3 ALA A 50 16.754 64.341 -10.274 1.00 52.42 H new ATOM 723 N LEU A 51 18.170 64.007 -12.886 1.00 14.24 N ATOM 724 CA LEU A 51 17.918 63.667 -14.281 1.00 65.24 C ATOM 725 C LEU A 51 19.156 63.925 -15.131 1.00 54.11 C ATOM 726 O LEU A 51 19.119 63.779 -16.350 1.00 73.42 O ATOM 727 CB LEU A 51 16.745 64.482 -14.829 1.00 34.13 C ATOM 728 CG LEU A 51 16.958 65.998 -14.832 1.00 14.14 C ATOM 729 CD1 LEU A 51 16.610 66.582 -16.189 1.00 42.24 C ATOM 730 CD2 LEU A 51 16.124 66.653 -13.747 1.00 32.32 C ATOM 0 H LEU A 51 18.078 64.999 -12.669 1.00 14.24 H new ATOM 0 HA LEU A 51 17.670 62.607 -14.327 1.00 65.24 H new ATOM 0 HB2 LEU A 51 16.541 64.157 -15.849 1.00 34.13 H new ATOM 0 HB3 LEU A 51 15.857 64.256 -14.238 1.00 34.13 H new ATOM 0 HG LEU A 51 18.010 66.197 -14.629 1.00 14.14 H new ATOM 0 HD11 LEU A 51 16.767 67.660 -16.172 1.00 42.24 H new ATOM 0 HD12 LEU A 51 17.247 66.134 -16.952 1.00 42.24 H new ATOM 0 HD13 LEU A 51 15.565 66.371 -16.419 1.00 42.24 H new ATOM 0 HD21 LEU A 51 16.287 67.731 -13.763 1.00 32.32 H new ATOM 0 HD22 LEU A 51 15.069 66.443 -13.923 1.00 32.32 H new ATOM 0 HD23 LEU A 51 16.416 66.256 -12.775 1.00 32.32 H new ATOM 742 N ASP A 52 20.248 64.298 -14.472 1.00 2.23 N ATOM 743 CA ASP A 52 21.483 64.682 -15.158 1.00 12.25 C ATOM 744 C ASP A 52 21.988 63.568 -16.066 1.00 34.31 C ATOM 745 O ASP A 52 22.010 63.716 -17.287 1.00 33.15 O ATOM 746 CB ASP A 52 22.556 65.052 -14.131 1.00 5.20 C ATOM 747 CG ASP A 52 23.866 65.503 -14.761 1.00 62.52 C ATOM 748 OD1 ASP A 52 23.853 65.957 -15.923 1.00 12.41 O ATOM 749 OD2 ASP A 52 24.911 65.427 -14.080 1.00 63.02 O1- ATOM 0 H ASP A 52 20.305 64.344 -13.455 1.00 2.23 H new ATOM 0 HA ASP A 52 21.265 65.548 -15.784 1.00 12.25 H new ATOM 0 HB2 ASP A 52 22.176 65.848 -13.491 1.00 5.20 H new ATOM 0 HB3 ASP A 52 22.747 64.191 -13.490 1.00 5.20 H new ATOM 754 N ASN A 53 22.357 62.444 -15.468 1.00 61.25 N ATOM 755 CA ASN A 53 22.905 61.322 -16.229 1.00 42.12 C ATOM 756 C ASN A 53 21.853 60.732 -17.159 1.00 63.01 C ATOM 757 O ASN A 53 22.179 60.154 -18.195 1.00 23.25 O ATOM 758 CB ASN A 53 23.441 60.235 -15.288 1.00 44.53 C ATOM 759 CG ASN A 53 24.710 60.655 -14.573 1.00 73.01 C ATOM 760 OD1 ASN A 53 25.816 60.448 -15.072 1.00 72.42 O ATOM 761 ND2 ASN A 53 24.559 61.239 -13.394 1.00 31.23 N ATOM 0 H ASN A 53 22.289 62.282 -14.463 1.00 61.25 H new ATOM 0 HA ASN A 53 23.730 61.701 -16.832 1.00 42.12 H new ATOM 0 HB2 ASN A 53 22.677 59.990 -14.550 1.00 44.53 H new ATOM 0 HB3 ASN A 53 23.634 59.328 -15.860 1.00 44.53 H new ATOM 0 HD21 ASN A 53 25.378 61.536 -12.863 1.00 31.23 H new ATOM 0 HD22 ASN A 53 23.624 61.392 -13.017 1.00 31.23 H new ATOM 768 N PHE A 54 20.590 60.898 -16.787 1.00 22.14 N ATOM 769 CA PHE A 54 19.475 60.382 -17.567 1.00 43.23 C ATOM 770 C PHE A 54 19.317 61.148 -18.885 1.00 0.30 C ATOM 771 O PHE A 54 19.447 60.571 -19.962 1.00 51.31 O ATOM 772 CB PHE A 54 18.188 60.467 -16.734 1.00 64.13 C ATOM 773 CG PHE A 54 16.964 59.937 -17.428 1.00 32.43 C ATOM 774 CD1 PHE A 54 16.755 58.572 -17.542 1.00 20.25 C ATOM 775 CD2 PHE A 54 16.021 60.802 -17.960 1.00 52.44 C ATOM 776 CE1 PHE A 54 15.629 58.080 -18.171 1.00 74.25 C ATOM 777 CE2 PHE A 54 14.894 60.316 -18.589 1.00 41.13 C ATOM 778 CZ PHE A 54 14.699 58.954 -18.698 1.00 1.54 C ATOM 0 H PHE A 54 20.312 61.392 -15.939 1.00 22.14 H new ATOM 0 HA PHE A 54 19.676 59.340 -17.817 1.00 43.23 H new ATOM 0 HB2 PHE A 54 18.333 59.914 -15.806 1.00 64.13 H new ATOM 0 HB3 PHE A 54 18.014 61.508 -16.461 1.00 64.13 H new ATOM 0 HD1 PHE A 54 17.482 57.885 -17.134 1.00 20.25 H new ATOM 0 HD2 PHE A 54 16.170 61.869 -17.881 1.00 52.44 H new ATOM 0 HE1 PHE A 54 15.476 57.014 -18.251 1.00 74.25 H new ATOM 0 HE2 PHE A 54 14.165 61.001 -18.996 1.00 41.13 H new ATOM 0 HZ PHE A 54 13.820 58.572 -19.195 1.00 1.54 H new ATOM 788 N THR A 55 19.079 62.454 -18.794 1.00 75.41 N ATOM 789 CA THR A 55 18.755 63.254 -19.974 1.00 62.12 C ATOM 790 C THR A 55 19.990 63.497 -20.842 1.00 21.25 C ATOM 791 O THR A 55 19.871 63.793 -22.032 1.00 1.24 O ATOM 792 CB THR A 55 18.107 64.608 -19.586 1.00 4.21 C ATOM 793 OG1 THR A 55 17.573 65.256 -20.750 1.00 21.43 O ATOM 794 CG2 THR A 55 19.113 65.533 -18.916 1.00 4.31 C ATOM 0 H THR A 55 19.104 62.980 -17.920 1.00 75.41 H new ATOM 0 HA THR A 55 18.032 62.680 -20.553 1.00 62.12 H new ATOM 0 HB THR A 55 17.304 64.397 -18.880 1.00 4.21 H new ATOM 0 HG1 THR A 55 18.092 64.992 -21.538 1.00 21.43 H new ATOM 0 HG21 THR A 55 18.626 66.473 -18.657 1.00 4.31 H new ATOM 0 HG22 THR A 55 19.495 65.061 -18.011 1.00 4.31 H new ATOM 0 HG23 THR A 55 19.939 65.728 -19.600 1.00 4.31 H new ATOM 802 N GLN A 56 21.169 63.353 -20.253 1.00 32.54 N ATOM 803 CA GLN A 56 22.418 63.552 -20.982 1.00 40.22 C ATOM 804 C GLN A 56 22.709 62.356 -21.881 1.00 42.31 C ATOM 805 O GLN A 56 23.261 62.505 -22.967 1.00 33.50 O ATOM 806 CB GLN A 56 23.580 63.783 -20.014 1.00 24.31 C ATOM 807 CG GLN A 56 24.033 65.236 -19.922 1.00 3.12 C ATOM 808 CD GLN A 56 22.904 66.204 -19.614 1.00 23.51 C ATOM 809 OE1 GLN A 56 22.263 66.733 -20.521 1.00 22.43 O ATOM 810 NE2 GLN A 56 22.652 66.449 -18.337 1.00 51.20 N ATOM 0 H GLN A 56 21.289 63.099 -19.272 1.00 32.54 H new ATOM 0 HA GLN A 56 22.309 64.439 -21.606 1.00 40.22 H new ATOM 0 HB2 GLN A 56 23.286 63.442 -19.022 1.00 24.31 H new ATOM 0 HB3 GLN A 56 24.425 63.169 -20.325 1.00 24.31 H new ATOM 0 HG2 GLN A 56 24.796 65.322 -19.148 1.00 3.12 H new ATOM 0 HG3 GLN A 56 24.500 65.523 -20.864 1.00 3.12 H new ATOM 0 HE21 GLN A 56 23.204 65.992 -17.611 1.00 51.20 H new ATOM 0 HE22 GLN A 56 21.906 67.095 -18.079 1.00 51.20 H new ATOM 819 N ALA A 57 22.316 61.171 -21.431 1.00 43.12 N ATOM 820 CA ALA A 57 22.506 59.959 -22.215 1.00 74.22 C ATOM 821 C ALA A 57 21.533 59.922 -23.390 1.00 13.44 C ATOM 822 O ALA A 57 21.781 59.264 -24.403 1.00 44.41 O ATOM 823 CB ALA A 57 22.319 58.732 -21.341 1.00 32.32 C ATOM 0 H ALA A 57 21.864 61.024 -20.528 1.00 43.12 H new ATOM 0 HA ALA A 57 23.523 59.959 -22.608 1.00 74.22 H new ATOM 0 HB1 ALA A 57 22.464 57.833 -21.940 1.00 32.32 H new ATOM 0 HB2 ALA A 57 23.047 58.749 -20.530 1.00 32.32 H new ATOM 0 HB3 ALA A 57 21.312 58.732 -20.925 1.00 32.32 H new ATOM 829 N ILE A 58 20.426 60.638 -23.244 1.00 52.41 N ATOM 830 CA ILE A 58 19.409 60.695 -24.281 1.00 43.42 C ATOM 831 C ILE A 58 19.889 61.535 -25.463 1.00 42.32 C ATOM 832 O ILE A 58 19.472 61.314 -26.597 1.00 2.22 O ATOM 833 CB ILE A 58 18.079 61.271 -23.746 1.00 4.31 C ATOM 834 CG1 ILE A 58 17.666 60.542 -22.466 1.00 33.32 C ATOM 835 CG2 ILE A 58 16.981 61.155 -24.798 1.00 22.11 C ATOM 836 CD1 ILE A 58 16.298 60.929 -21.949 1.00 75.03 C ATOM 0 H ILE A 58 20.211 61.189 -22.413 1.00 52.41 H new ATOM 0 HA ILE A 58 19.232 59.672 -24.612 1.00 43.42 H new ATOM 0 HB ILE A 58 18.226 62.327 -23.518 1.00 4.31 H new ATOM 0 HG12 ILE A 58 17.682 59.468 -22.651 1.00 33.32 H new ATOM 0 HG13 ILE A 58 18.406 60.743 -21.691 1.00 33.32 H new ATOM 0 HG21 ILE A 58 16.053 61.566 -24.402 1.00 22.11 H new ATOM 0 HG22 ILE A 58 17.272 61.710 -25.690 1.00 22.11 H new ATOM 0 HG23 ILE A 58 16.833 60.106 -25.055 1.00 22.11 H new ATOM 0 HD11 ILE A 58 16.081 60.368 -21.040 1.00 75.03 H new ATOM 0 HD12 ILE A 58 16.281 61.997 -21.730 1.00 75.03 H new ATOM 0 HD13 ILE A 58 15.546 60.701 -22.704 1.00 75.03 H new ATOM 848 N GLN A 59 20.791 62.477 -25.198 1.00 20.32 N ATOM 849 CA GLN A 59 21.300 63.366 -26.240 1.00 43.14 C ATOM 850 C GLN A 59 21.912 62.568 -27.387 1.00 30.01 C ATOM 851 O GLN A 59 21.751 62.921 -28.555 1.00 22.32 O ATOM 852 CB GLN A 59 22.333 64.336 -25.665 1.00 0.24 C ATOM 853 CG GLN A 59 21.762 65.303 -24.639 1.00 33.03 C ATOM 854 CD GLN A 59 22.787 66.310 -24.147 1.00 32.54 C ATOM 855 OE1 GLN A 59 23.982 66.026 -24.093 1.00 24.13 O ATOM 856 NE2 GLN A 59 22.328 67.501 -23.792 1.00 51.23 N ATOM 0 H GLN A 59 21.184 62.645 -24.272 1.00 20.32 H new ATOM 0 HA GLN A 59 20.459 63.940 -26.629 1.00 43.14 H new ATOM 0 HB2 GLN A 59 23.137 63.764 -25.203 1.00 0.24 H new ATOM 0 HB3 GLN A 59 22.776 64.907 -26.481 1.00 0.24 H new ATOM 0 HG2 GLN A 59 20.918 65.835 -25.078 1.00 33.03 H new ATOM 0 HG3 GLN A 59 21.376 64.739 -23.790 1.00 33.03 H new ATOM 0 HE21 GLN A 59 21.329 67.701 -23.850 1.00 51.23 H new ATOM 0 HE22 GLN A 59 22.973 68.218 -23.461 1.00 51.23 H new ATOM 865 N SER A 60 22.587 61.480 -27.045 1.00 51.04 N ATOM 866 CA SER A 60 23.209 60.617 -28.038 1.00 11.41 C ATOM 867 C SER A 60 22.162 59.968 -28.951 1.00 54.31 C ATOM 868 O SER A 60 22.337 59.924 -30.171 1.00 71.15 O ATOM 869 CB SER A 60 24.045 59.543 -27.338 1.00 73.34 C ATOM 870 OG SER A 60 25.018 60.133 -26.489 1.00 3.51 O ATOM 0 H SER A 60 22.718 61.173 -26.081 1.00 51.04 H new ATOM 0 HA SER A 60 23.858 61.229 -28.664 1.00 11.41 H new ATOM 0 HB2 SER A 60 23.394 58.892 -26.754 1.00 73.34 H new ATOM 0 HB3 SER A 60 24.537 58.917 -28.082 1.00 73.34 H new ATOM 0 HG SER A 60 25.540 59.429 -26.050 1.00 3.51 H new ATOM 876 N GLN A 61 21.064 59.491 -28.367 1.00 30.10 N ATOM 877 CA GLN A 61 20.049 58.776 -29.140 1.00 24.42 C ATOM 878 C GLN A 61 19.142 59.747 -29.894 1.00 14.32 C ATOM 879 O GLN A 61 18.520 59.375 -30.892 1.00 1.12 O ATOM 880 CB GLN A 61 19.216 57.843 -28.246 1.00 64.21 C ATOM 881 CG GLN A 61 18.353 58.556 -27.223 1.00 32.32 C ATOM 882 CD GLN A 61 17.434 57.607 -26.479 1.00 64.01 C ATOM 883 OE1 GLN A 61 16.309 57.348 -26.910 1.00 52.54 O ATOM 884 NE2 GLN A 61 17.900 57.079 -25.358 1.00 61.52 N ATOM 0 H GLN A 61 20.855 59.585 -27.373 1.00 30.10 H new ATOM 0 HA GLN A 61 20.573 58.161 -29.872 1.00 24.42 H new ATOM 0 HB2 GLN A 61 18.575 57.231 -28.880 1.00 64.21 H new ATOM 0 HB3 GLN A 61 19.890 57.164 -27.724 1.00 64.21 H new ATOM 0 HG2 GLN A 61 18.994 59.072 -26.508 1.00 32.32 H new ATOM 0 HG3 GLN A 61 17.756 59.318 -27.724 1.00 32.32 H new ATOM 0 HE21 GLN A 61 18.837 57.317 -25.033 1.00 61.52 H new ATOM 0 HE22 GLN A 61 17.322 56.434 -24.819 1.00 61.52 H new ATOM 893 N ILE A 62 19.075 60.993 -29.430 1.00 25.21 N ATOM 894 CA ILE A 62 18.276 62.013 -30.106 1.00 60.23 C ATOM 895 C ILE A 62 18.870 62.311 -31.475 1.00 4.22 C ATOM 896 O ILE A 62 18.147 62.536 -32.446 1.00 73.53 O ATOM 897 CB ILE A 62 18.192 63.326 -29.286 1.00 31.41 C ATOM 898 CG1 ILE A 62 17.439 63.088 -27.978 1.00 75.12 C ATOM 899 CG2 ILE A 62 17.513 64.432 -30.091 1.00 11.33 C ATOM 900 CD1 ILE A 62 17.387 64.303 -27.073 1.00 54.33 C ATOM 0 H ILE A 62 19.561 61.319 -28.595 1.00 25.21 H new ATOM 0 HA ILE A 62 17.265 61.618 -30.211 1.00 60.23 H new ATOM 0 HB ILE A 62 19.208 63.646 -29.056 1.00 31.41 H new ATOM 0 HG12 ILE A 62 16.421 62.774 -28.208 1.00 75.12 H new ATOM 0 HG13 ILE A 62 17.913 62.266 -27.441 1.00 75.12 H new ATOM 0 HG21 ILE A 62 17.467 65.342 -29.492 1.00 11.33 H new ATOM 0 HG22 ILE A 62 18.084 64.624 -30.999 1.00 11.33 H new ATOM 0 HG23 ILE A 62 16.503 64.121 -30.356 1.00 11.33 H new ATOM 0 HD11 ILE A 62 16.837 64.057 -26.165 1.00 54.33 H new ATOM 0 HD12 ILE A 62 18.401 64.606 -26.812 1.00 54.33 H new ATOM 0 HD13 ILE A 62 16.886 65.121 -27.591 1.00 54.33 H new ATOM 912 N LEU A 63 20.196 62.275 -31.545 1.00 64.35 N ATOM 913 CA LEU A 63 20.911 62.513 -32.790 1.00 53.53 C ATOM 914 C LEU A 63 20.465 61.535 -33.877 1.00 34.31 C ATOM 915 O LEU A 63 20.187 61.934 -35.007 1.00 74.53 O ATOM 916 CB LEU A 63 22.420 62.389 -32.563 1.00 24.15 C ATOM 917 CG LEU A 63 23.018 63.390 -31.569 1.00 14.34 C ATOM 918 CD1 LEU A 63 24.515 63.156 -31.407 1.00 52.54 C ATOM 919 CD2 LEU A 63 22.747 64.820 -32.020 1.00 61.01 C ATOM 0 H LEU A 63 20.800 62.081 -30.746 1.00 64.35 H new ATOM 0 HA LEU A 63 20.679 63.524 -33.125 1.00 53.53 H new ATOM 0 HB2 LEU A 63 22.636 61.380 -32.211 1.00 24.15 H new ATOM 0 HB3 LEU A 63 22.926 62.508 -33.521 1.00 24.15 H new ATOM 0 HG LEU A 63 22.540 63.238 -30.601 1.00 14.34 H new ATOM 0 HD11 LEU A 63 24.921 63.877 -30.697 1.00 52.54 H new ATOM 0 HD12 LEU A 63 24.687 62.145 -31.037 1.00 52.54 H new ATOM 0 HD13 LEU A 63 25.009 63.278 -32.371 1.00 52.54 H new ATOM 0 HD21 LEU A 63 23.179 65.516 -31.301 1.00 61.01 H new ATOM 0 HD22 LEU A 63 23.196 64.984 -32.999 1.00 61.01 H new ATOM 0 HD23 LEU A 63 21.671 64.984 -32.082 1.00 61.01 H new ATOM 931 N GLY A 64 20.384 60.259 -33.519 1.00 54.14 N ATOM 932 CA GLY A 64 19.938 59.249 -34.460 1.00 43.53 C ATOM 933 C GLY A 64 18.489 59.442 -34.851 1.00 42.50 C ATOM 934 O GLY A 64 18.115 59.241 -36.008 1.00 45.41 O ATOM 0 H GLY A 64 20.620 59.905 -32.592 1.00 54.14 H new ATOM 0 HA2 GLY A 64 20.563 59.284 -35.353 1.00 43.53 H new ATOM 0 HA3 GLY A 64 20.066 58.260 -34.019 1.00 43.53 H new ATOM 938 N GLY A 65 17.675 59.852 -33.883 1.00 25.24 N ATOM 939 CA GLY A 65 16.271 60.108 -34.146 1.00 5.50 C ATOM 940 C GLY A 65 16.075 61.222 -35.153 1.00 33.53 C ATOM 941 O GLY A 65 15.219 61.129 -36.030 1.00 11.34 O ATOM 0 H GLY A 65 17.964 60.012 -32.918 1.00 25.24 H new ATOM 0 HA2 GLY A 65 15.800 59.198 -34.517 1.00 5.50 H new ATOM 0 HA3 GLY A 65 15.770 60.370 -33.214 1.00 5.50 H new ATOM 945 N LEU A 66 16.882 62.271 -35.033 1.00 53.33 N ATOM 946 CA LEU A 66 16.816 63.403 -35.953 1.00 72.23 C ATOM 947 C LEU A 66 17.134 62.965 -37.378 1.00 34.12 C ATOM 948 O LEU A 66 16.488 63.393 -38.330 1.00 33.03 O ATOM 949 CB LEU A 66 17.792 64.503 -35.524 1.00 31.31 C ATOM 950 CG LEU A 66 17.498 65.152 -34.171 1.00 64.21 C ATOM 951 CD1 LEU A 66 18.573 66.169 -33.825 1.00 22.03 C ATOM 952 CD2 LEU A 66 16.129 65.805 -34.181 1.00 65.03 C ATOM 0 H LEU A 66 17.592 62.362 -34.306 1.00 53.33 H new ATOM 0 HA LEU A 66 15.800 63.796 -35.925 1.00 72.23 H new ATOM 0 HB2 LEU A 66 18.797 64.082 -35.495 1.00 31.31 H new ATOM 0 HB3 LEU A 66 17.794 65.281 -36.288 1.00 31.31 H new ATOM 0 HG LEU A 66 17.501 64.375 -33.407 1.00 64.21 H new ATOM 0 HD11 LEU A 66 18.348 66.621 -32.859 1.00 22.03 H new ATOM 0 HD12 LEU A 66 19.542 65.672 -33.776 1.00 22.03 H new ATOM 0 HD13 LEU A 66 18.601 66.944 -34.591 1.00 22.03 H new ATOM 0 HD21 LEU A 66 15.937 66.262 -33.210 1.00 65.03 H new ATOM 0 HD22 LEU A 66 16.097 66.571 -34.955 1.00 65.03 H new ATOM 0 HD23 LEU A 66 15.368 65.052 -34.385 1.00 65.03 H new ATOM 964 N LEU A 67 18.131 62.098 -37.514 1.00 53.21 N ATOM 965 CA LEU A 67 18.524 61.586 -38.820 1.00 64.45 C ATOM 966 C LEU A 67 17.426 60.699 -39.406 1.00 60.43 C ATOM 967 O LEU A 67 17.229 60.654 -40.621 1.00 44.24 O ATOM 968 CB LEU A 67 19.831 60.796 -38.708 1.00 51.43 C ATOM 969 CG LEU A 67 21.026 61.581 -38.168 1.00 3.00 C ATOM 970 CD1 LEU A 67 22.244 60.675 -38.043 1.00 70.32 C ATOM 971 CD2 LEU A 67 21.337 62.769 -39.068 1.00 22.21 C ATOM 0 H LEU A 67 18.681 61.735 -36.736 1.00 53.21 H new ATOM 0 HA LEU A 67 18.677 62.434 -39.487 1.00 64.45 H new ATOM 0 HB2 LEU A 67 19.661 59.935 -38.062 1.00 51.43 H new ATOM 0 HB3 LEU A 67 20.088 60.409 -39.694 1.00 51.43 H new ATOM 0 HG LEU A 67 20.771 61.958 -37.178 1.00 3.00 H new ATOM 0 HD11 LEU A 67 23.086 61.249 -37.657 1.00 70.32 H new ATOM 0 HD12 LEU A 67 22.020 59.856 -37.360 1.00 70.32 H new ATOM 0 HD13 LEU A 67 22.499 60.271 -39.023 1.00 70.32 H new ATOM 0 HD21 LEU A 67 22.191 63.316 -38.667 1.00 22.21 H new ATOM 0 HD22 LEU A 67 21.572 62.414 -40.071 1.00 22.21 H new ATOM 0 HD23 LEU A 67 20.471 63.430 -39.111 1.00 22.21 H new ATOM 983 N SER A 68 16.705 60.012 -38.528 1.00 40.32 N ATOM 984 CA SER A 68 15.638 59.113 -38.943 1.00 11.31 C ATOM 985 C SER A 68 14.446 59.907 -39.483 1.00 75.02 C ATOM 986 O SER A 68 13.679 59.410 -40.312 1.00 75.11 O ATOM 987 CB SER A 68 15.215 58.229 -37.764 1.00 0.14 C ATOM 988 OG SER A 68 14.431 57.129 -38.195 1.00 4.11 O ATOM 0 H SER A 68 16.842 60.062 -37.518 1.00 40.32 H new ATOM 0 HA SER A 68 16.006 58.473 -39.745 1.00 11.31 H new ATOM 0 HB2 SER A 68 16.101 57.864 -37.245 1.00 0.14 H new ATOM 0 HB3 SER A 68 14.648 58.823 -37.047 1.00 0.14 H new ATOM 0 HG SER A 68 14.178 56.584 -37.421 1.00 4.11 H new ATOM 994 N ASN A 69 14.323 61.158 -39.044 1.00 22.22 N ATOM 995 CA ASN A 69 13.223 62.028 -39.460 1.00 3.21 C ATOM 996 C ASN A 69 13.351 62.437 -40.927 1.00 33.23 C ATOM 997 O ASN A 69 12.418 62.993 -41.511 1.00 41.32 O ATOM 998 CB ASN A 69 13.169 63.281 -38.579 1.00 53.44 C ATOM 999 CG ASN A 69 12.517 63.038 -37.229 1.00 25.14 C ATOM 1000 OD1 ASN A 69 12.517 61.922 -36.709 1.00 41.35 O ATOM 1001 ND2 ASN A 69 11.969 64.092 -36.645 1.00 2.13 N ATOM 0 H ASN A 69 14.977 61.595 -38.395 1.00 22.22 H new ATOM 0 HA ASN A 69 12.299 61.462 -39.344 1.00 3.21 H new ATOM 0 HB2 ASN A 69 14.182 63.652 -38.424 1.00 53.44 H new ATOM 0 HB3 ASN A 69 12.620 64.063 -39.104 1.00 53.44 H new ATOM 0 HD21 ASN A 69 11.526 63.996 -35.731 1.00 2.13 H new ATOM 0 HD22 ASN A 69 11.990 65.000 -37.109 1.00 2.13 H new ATOM 1008 N ILE A 70 14.505 62.167 -41.518 1.00 71.41 N ATOM 1009 CA ILE A 70 14.733 62.476 -42.925 1.00 54.25 C ATOM 1010 C ILE A 70 14.269 61.307 -43.799 1.00 15.54 C ATOM 1011 O ILE A 70 14.047 61.453 -45.002 1.00 23.53 O ATOM 1012 CB ILE A 70 16.228 62.781 -43.193 1.00 3.10 C ATOM 1013 CG1 ILE A 70 16.716 63.906 -42.272 1.00 23.53 C ATOM 1014 CG2 ILE A 70 16.460 63.162 -44.650 1.00 12.32 C ATOM 1015 CD1 ILE A 70 15.954 65.203 -42.437 1.00 42.43 C ATOM 0 H ILE A 70 15.299 61.734 -41.047 1.00 71.41 H new ATOM 0 HA ILE A 70 14.155 63.365 -43.178 1.00 54.25 H new ATOM 0 HB ILE A 70 16.797 61.876 -42.983 1.00 3.10 H new ATOM 0 HG12 ILE A 70 16.634 63.576 -41.236 1.00 23.53 H new ATOM 0 HG13 ILE A 70 17.773 64.089 -42.466 1.00 23.53 H new ATOM 0 HG21 ILE A 70 17.518 63.370 -44.808 1.00 12.32 H new ATOM 0 HG22 ILE A 70 16.152 62.339 -45.295 1.00 12.32 H new ATOM 0 HG23 ILE A 70 15.876 64.050 -44.891 1.00 12.32 H new ATOM 0 HD11 ILE A 70 16.356 65.951 -41.753 1.00 42.43 H new ATOM 0 HD12 ILE A 70 16.056 65.557 -43.463 1.00 42.43 H new ATOM 0 HD13 ILE A 70 14.900 65.037 -42.214 1.00 42.43 H new ATOM 1129 N MET A 78 18.698 44.748 -39.259 1.00 12.00 N ATOM 1130 CA MET A 78 18.719 43.313 -39.473 1.00 2.03 C ATOM 1131 C MET A 78 19.637 42.640 -38.464 1.00 70.13 C ATOM 1132 O MET A 78 20.843 42.897 -38.436 1.00 44.34 O ATOM 1133 CB MET A 78 19.174 42.985 -40.895 1.00 63.14 C ATOM 1134 CG MET A 78 19.187 41.494 -41.185 1.00 52.15 C ATOM 1135 SD MET A 78 19.781 41.106 -42.841 1.00 73.31 S ATOM 1136 CE MET A 78 19.610 39.325 -42.826 1.00 35.54 C ATOM 0 HA MET A 78 17.706 42.934 -39.337 1.00 2.03 H new ATOM 0 HB2 MET A 78 18.514 43.482 -41.606 1.00 63.14 H new ATOM 0 HB3 MET A 78 20.174 43.389 -41.053 1.00 63.14 H new ATOM 0 HG2 MET A 78 19.818 40.992 -40.451 1.00 52.15 H new ATOM 0 HG3 MET A 78 18.179 41.097 -41.064 1.00 52.15 H new ATOM 0 HE1 MET A 78 19.937 38.920 -43.784 1.00 35.54 H new ATOM 0 HE2 MET A 78 20.223 38.907 -42.027 1.00 35.54 H new ATOM 0 HE3 MET A 78 18.566 39.061 -42.658 1.00 35.54 H new ATOM 1146 N VAL A 79 19.063 41.787 -37.629 1.00 63.22 N ATOM 1147 CA VAL A 79 19.844 41.056 -36.652 1.00 53.31 C ATOM 1148 C VAL A 79 20.477 39.818 -37.292 1.00 34.33 C ATOM 1149 O VAL A 79 19.874 38.744 -37.371 1.00 23.05 O ATOM 1150 CB VAL A 79 18.998 40.678 -35.409 1.00 51.15 C ATOM 1151 CG1 VAL A 79 17.712 39.961 -35.801 1.00 62.34 C ATOM 1152 CG2 VAL A 79 19.813 39.838 -34.431 1.00 20.14 C ATOM 0 H VAL A 79 18.063 41.587 -37.611 1.00 63.22 H new ATOM 0 HA VAL A 79 20.644 41.710 -36.305 1.00 53.31 H new ATOM 0 HB VAL A 79 18.716 41.606 -34.911 1.00 51.15 H new ATOM 0 HG11 VAL A 79 17.146 39.712 -34.903 1.00 62.34 H new ATOM 0 HG12 VAL A 79 17.113 40.611 -36.439 1.00 62.34 H new ATOM 0 HG13 VAL A 79 17.956 39.046 -36.341 1.00 62.34 H new ATOM 0 HG21 VAL A 79 19.198 39.586 -33.567 1.00 20.14 H new ATOM 0 HG22 VAL A 79 20.141 38.922 -34.923 1.00 20.14 H new ATOM 0 HG23 VAL A 79 20.684 40.405 -34.102 1.00 20.14 H new ATOM 1162 N THR A 80 21.678 39.998 -37.811 1.00 24.24 N ATOM 1163 CA THR A 80 22.419 38.899 -38.389 1.00 43.31 C ATOM 1164 C THR A 80 23.415 38.369 -37.361 1.00 22.22 C ATOM 1165 O THR A 80 24.103 39.140 -36.697 1.00 20.53 O ATOM 1166 CB THR A 80 23.151 39.343 -39.672 1.00 4.42 C ATOM 1167 OG1 THR A 80 22.265 40.118 -40.490 1.00 23.43 O ATOM 1168 CG2 THR A 80 23.647 38.146 -40.465 1.00 23.11 C ATOM 0 H THR A 80 22.159 40.897 -37.843 1.00 24.24 H new ATOM 0 HA THR A 80 21.723 38.106 -38.662 1.00 43.31 H new ATOM 0 HB THR A 80 24.012 39.944 -39.379 1.00 4.42 H new ATOM 0 HG1 THR A 80 22.733 40.400 -41.303 1.00 23.43 H new ATOM 0 HG21 THR A 80 24.159 38.491 -41.363 1.00 23.11 H new ATOM 0 HG22 THR A 80 24.339 37.566 -39.854 1.00 23.11 H new ATOM 0 HG23 THR A 80 22.800 37.520 -40.747 1.00 23.11 H new ATOM 1176 N ASN A 81 23.473 37.055 -37.226 1.00 12.13 N ATOM 1177 CA ASN A 81 24.311 36.417 -36.218 1.00 13.33 C ATOM 1178 C ASN A 81 25.790 36.700 -36.464 1.00 53.52 C ATOM 1179 O ASN A 81 26.579 36.796 -35.525 1.00 72.31 O ATOM 1180 CB ASN A 81 24.059 34.908 -36.227 1.00 31.34 C ATOM 1181 CG ASN A 81 24.861 34.167 -35.177 1.00 23.22 C ATOM 1182 OD1 ASN A 81 25.117 34.684 -34.089 1.00 55.05 O ATOM 1183 ND2 ASN A 81 25.265 32.952 -35.500 1.00 51.02 N ATOM 0 H ASN A 81 22.946 36.402 -37.806 1.00 12.13 H new ATOM 0 HA ASN A 81 24.050 36.829 -35.243 1.00 13.33 H new ATOM 0 HB2 ASN A 81 22.998 34.722 -36.064 1.00 31.34 H new ATOM 0 HB3 ASN A 81 24.305 34.510 -37.212 1.00 31.34 H new ATOM 0 HD21 ASN A 81 25.812 32.403 -34.837 1.00 51.02 H new ATOM 0 HD22 ASN A 81 25.030 32.562 -36.413 1.00 51.02 H new ATOM 1190 N ASP A 82 26.160 36.842 -37.725 1.00 32.11 N ATOM 1191 CA ASP A 82 27.558 37.027 -38.093 1.00 24.13 C ATOM 1192 C ASP A 82 27.856 38.477 -38.495 1.00 61.51 C ATOM 1193 O ASP A 82 29.015 38.860 -38.662 1.00 75.51 O ATOM 1194 CB ASP A 82 27.900 36.065 -39.235 1.00 23.52 C ATOM 1195 CG ASP A 82 29.357 36.108 -39.652 1.00 72.21 C ATOM 1196 OD1 ASP A 82 30.245 35.877 -38.799 1.00 63.25 O ATOM 1197 OD2 ASP A 82 29.625 36.328 -40.848 1.00 30.43 O1- ATOM 0 H ASP A 82 25.513 36.833 -38.514 1.00 32.11 H new ATOM 0 HA ASP A 82 28.180 36.808 -37.225 1.00 24.13 H new ATOM 0 HB2 ASP A 82 27.648 35.049 -38.930 1.00 23.52 H new ATOM 0 HB3 ASP A 82 27.277 36.303 -40.097 1.00 23.52 H new ATOM 1202 N TYR A 83 26.814 39.293 -38.617 1.00 2.10 N ATOM 1203 CA TYR A 83 26.979 40.667 -39.089 1.00 61.22 C ATOM 1204 C TYR A 83 25.963 41.617 -38.464 1.00 25.13 C ATOM 1205 O TYR A 83 24.772 41.324 -38.394 1.00 35.42 O ATOM 1206 CB TYR A 83 26.847 40.733 -40.614 1.00 22.35 C ATOM 1207 CG TYR A 83 28.077 40.281 -41.367 1.00 63.34 C ATOM 1208 CD1 TYR A 83 28.088 39.091 -42.084 1.00 54.31 C ATOM 1209 CD2 TYR A 83 29.235 41.048 -41.352 1.00 61.31 C ATOM 1210 CE1 TYR A 83 29.216 38.687 -42.772 1.00 54.50 C ATOM 1211 CE2 TYR A 83 30.362 40.650 -42.037 1.00 43.02 C ATOM 1212 CZ TYR A 83 30.351 39.469 -42.739 1.00 0.23 C ATOM 1213 OH TYR A 83 31.483 39.074 -43.415 1.00 35.22 O ATOM 0 H TYR A 83 25.853 39.031 -38.398 1.00 2.10 H new ATOM 0 HA TYR A 83 27.977 40.983 -38.786 1.00 61.22 H new ATOM 0 HB2 TYR A 83 26.002 40.117 -40.920 1.00 22.35 H new ATOM 0 HB3 TYR A 83 26.616 41.758 -40.903 1.00 22.35 H new ATOM 0 HD1 TYR A 83 27.202 38.473 -42.104 1.00 54.31 H new ATOM 0 HD2 TYR A 83 29.252 41.972 -40.794 1.00 61.31 H new ATOM 0 HE1 TYR A 83 29.209 37.764 -43.332 1.00 54.50 H new ATOM 0 HE2 TYR A 83 31.251 41.264 -42.022 1.00 43.02 H new ATOM 0 HH TYR A 83 32.190 39.741 -43.287 1.00 35.22 H new ATOM 1223 N ILE A 84 26.441 42.765 -38.019 1.00 71.04 N ATOM 1224 CA ILE A 84 25.561 43.820 -37.540 1.00 33.43 C ATOM 1225 C ILE A 84 25.131 44.686 -38.714 1.00 24.33 C ATOM 1226 O ILE A 84 25.937 45.432 -39.263 1.00 13.30 O ATOM 1227 CB ILE A 84 26.252 44.699 -36.478 1.00 35.11 C ATOM 1228 CG1 ILE A 84 26.676 43.847 -35.281 1.00 70.51 C ATOM 1229 CG2 ILE A 84 25.339 45.838 -36.037 1.00 63.41 C ATOM 1230 CD1 ILE A 84 25.524 43.122 -34.617 1.00 21.15 C ATOM 0 H ILE A 84 27.435 42.992 -37.979 1.00 71.04 H new ATOM 0 HA ILE A 84 24.693 43.353 -37.075 1.00 33.43 H new ATOM 0 HB ILE A 84 27.144 45.140 -36.922 1.00 35.11 H new ATOM 0 HG12 ILE A 84 27.414 43.115 -35.609 1.00 70.51 H new ATOM 0 HG13 ILE A 84 27.165 44.486 -34.546 1.00 70.51 H new ATOM 0 HG21 ILE A 84 25.849 46.444 -35.288 1.00 63.41 H new ATOM 0 HG22 ILE A 84 25.090 46.459 -36.898 1.00 63.41 H new ATOM 0 HG23 ILE A 84 24.424 45.427 -35.610 1.00 63.41 H new ATOM 0 HD11 ILE A 84 25.898 42.538 -33.776 1.00 21.15 H new ATOM 0 HD12 ILE A 84 24.795 43.849 -34.258 1.00 21.15 H new ATOM 0 HD13 ILE A 84 25.048 42.457 -35.338 1.00 21.15 H new ATOM 1242 N VAL A 85 23.871 44.570 -39.105 1.00 45.21 N ATOM 1243 CA VAL A 85 23.380 45.259 -40.290 1.00 41.00 C ATOM 1244 C VAL A 85 22.299 46.273 -39.935 1.00 52.13 C ATOM 1245 O VAL A 85 21.210 45.904 -39.493 1.00 43.50 O ATOM 1246 CB VAL A 85 22.811 44.256 -41.316 1.00 62.43 C ATOM 1247 CG1 VAL A 85 22.336 44.972 -42.569 1.00 1.04 C ATOM 1248 CG2 VAL A 85 23.847 43.197 -41.666 1.00 64.33 C ATOM 0 H VAL A 85 23.171 44.007 -38.621 1.00 45.21 H new ATOM 0 HA VAL A 85 24.229 45.784 -40.728 1.00 41.00 H new ATOM 0 HB VAL A 85 21.953 43.760 -40.862 1.00 62.43 H new ATOM 0 HG11 VAL A 85 21.940 44.243 -43.276 1.00 1.04 H new ATOM 0 HG12 VAL A 85 21.555 45.685 -42.306 1.00 1.04 H new ATOM 0 HG13 VAL A 85 23.173 45.502 -43.025 1.00 1.04 H new ATOM 0 HG21 VAL A 85 23.425 42.501 -42.390 1.00 64.33 H new ATOM 0 HG22 VAL A 85 24.727 43.677 -42.094 1.00 64.33 H new ATOM 0 HG23 VAL A 85 24.132 42.654 -40.764 1.00 64.33 H new ATOM 1258 N ASP A 86 22.603 47.549 -40.126 1.00 31.13 N ATOM 1259 CA ASP A 86 21.620 48.604 -39.915 1.00 20.21 C ATOM 1260 C ASP A 86 21.472 49.444 -41.179 1.00 24.31 C ATOM 1261 O ASP A 86 22.437 49.662 -41.920 1.00 74.51 O ATOM 1262 CB ASP A 86 21.975 49.488 -38.708 1.00 4.42 C ATOM 1263 CG ASP A 86 23.264 50.274 -38.869 1.00 33.31 C ATOM 1264 OD1 ASP A 86 24.316 49.799 -38.387 1.00 21.44 O ATOM 1265 OD2 ASP A 86 23.224 51.389 -39.435 1.00 45.22 O1- ATOM 0 H ASP A 86 23.520 47.879 -40.426 1.00 31.13 H new ATOM 0 HA ASP A 86 20.665 48.129 -39.692 1.00 20.21 H new ATOM 0 HB2 ASP A 86 21.157 50.186 -38.530 1.00 4.42 H new ATOM 0 HB3 ASP A 86 22.055 48.858 -37.822 1.00 4.42 H new ATOM 1270 N ILE A 87 20.250 49.891 -41.436 1.00 70.13 N ATOM 1271 CA ILE A 87 19.945 50.617 -42.657 1.00 11.31 C ATOM 1272 C ILE A 87 19.849 52.115 -42.390 1.00 5.45 C ATOM 1273 O ILE A 87 18.953 52.573 -41.680 1.00 31.44 O ATOM 1274 CB ILE A 87 18.617 50.133 -43.284 1.00 73.15 C ATOM 1275 CG1 ILE A 87 18.655 48.620 -43.517 1.00 41.53 C ATOM 1276 CG2 ILE A 87 18.349 50.869 -44.592 1.00 33.35 C ATOM 1277 CD1 ILE A 87 17.348 48.048 -44.033 1.00 31.30 C ATOM 0 H ILE A 87 19.453 49.762 -40.812 1.00 70.13 H new ATOM 0 HA ILE A 87 20.759 50.423 -43.355 1.00 11.31 H new ATOM 0 HB ILE A 87 17.805 50.353 -42.591 1.00 73.15 H new ATOM 0 HG12 ILE A 87 19.448 48.391 -44.229 1.00 41.53 H new ATOM 0 HG13 ILE A 87 18.914 48.124 -42.582 1.00 41.53 H new ATOM 0 HG21 ILE A 87 17.411 50.518 -45.022 1.00 33.35 H new ATOM 0 HG22 ILE A 87 18.282 51.940 -44.400 1.00 33.35 H new ATOM 0 HG23 ILE A 87 19.163 50.676 -45.291 1.00 33.35 H new ATOM 0 HD11 ILE A 87 17.452 46.972 -44.174 1.00 31.30 H new ATOM 0 HD12 ILE A 87 16.555 48.245 -43.312 1.00 31.30 H new ATOM 0 HD13 ILE A 87 17.097 48.516 -44.985 1.00 31.30 H new ATOM 1289 N ALA A 88 20.781 52.871 -42.949 1.00 34.53 N ATOM 1290 CA ALA A 88 20.763 54.319 -42.829 1.00 21.21 C ATOM 1291 C ALA A 88 20.360 54.952 -44.155 1.00 23.43 C ATOM 1292 O ALA A 88 21.104 54.901 -45.132 1.00 54.14 O ATOM 1293 CB ALA A 88 22.125 54.834 -42.386 1.00 40.44 C ATOM 0 H ALA A 88 21.562 52.503 -43.492 1.00 34.53 H new ATOM 0 HA ALA A 88 20.029 54.596 -42.073 1.00 21.21 H new ATOM 0 HB1 ALA A 88 22.093 55.920 -42.301 1.00 40.44 H new ATOM 0 HB2 ALA A 88 22.380 54.402 -41.418 1.00 40.44 H new ATOM 0 HB3 ALA A 88 22.878 54.549 -43.121 1.00 40.44 H new ATOM 1299 N ASN A 89 19.172 55.529 -44.195 1.00 52.24 N ATOM 1300 CA ASN A 89 18.676 56.153 -45.409 1.00 21.13 C ATOM 1301 C ASN A 89 18.503 57.650 -45.207 1.00 22.12 C ATOM 1302 O ASN A 89 17.630 58.091 -44.461 1.00 62.21 O ATOM 1303 CB ASN A 89 17.345 55.531 -45.829 1.00 44.43 C ATOM 1304 CG ASN A 89 16.798 56.130 -47.115 1.00 51.24 C ATOM 1305 OD1 ASN A 89 17.676 56.447 -48.055 1.00 34.21 O flip ATOM 1306 ND2 ASN A 89 15.590 56.290 -47.269 1.00 52.10 N flip ATOM 0 H ASN A 89 18.533 55.578 -43.401 1.00 52.24 H new ATOM 0 HA ASN A 89 19.408 55.985 -46.199 1.00 21.13 H new ATOM 0 HB2 ASN A 89 17.476 54.457 -45.960 1.00 44.43 H new ATOM 0 HB3 ASN A 89 16.616 55.668 -45.030 1.00 44.43 H new ATOM 0 HD21 ASN A 89 14.943 56.035 -46.523 1.00 52.10 H new ATOM 0 HD22 ASN A 89 15.234 56.678 -48.143 1.00 52.10 H new ATOM 1313 N ARG A 90 19.346 58.427 -45.861 1.00 34.23 N ATOM 1314 CA ARG A 90 19.260 59.874 -45.788 1.00 61.53 C ATOM 1315 C ARG A 90 19.598 60.472 -47.143 1.00 14.51 C ATOM 1316 O ARG A 90 20.433 59.928 -47.869 1.00 31.12 O ATOM 1317 CB ARG A 90 20.208 60.415 -44.713 1.00 1.00 C ATOM 1318 CG ARG A 90 20.094 61.915 -44.493 1.00 75.44 C ATOM 1319 CD ARG A 90 21.047 62.397 -43.416 1.00 14.21 C ATOM 1320 NE ARG A 90 22.443 62.104 -43.744 1.00 45.22 N ATOM 1321 CZ ARG A 90 23.488 62.590 -43.075 1.00 45.51 C ATOM 1322 NH1 ARG A 90 23.308 63.468 -42.094 1.00 34.45 N1+ ATOM 1323 NH2 ARG A 90 24.714 62.220 -43.415 1.00 21.12 N ATOM 0 H ARG A 90 20.101 58.079 -46.451 1.00 34.23 H new ATOM 0 HA ARG A 90 18.243 60.157 -45.516 1.00 61.53 H new ATOM 0 HB2 ARG A 90 20.006 59.903 -43.772 1.00 1.00 H new ATOM 0 HB3 ARG A 90 21.234 60.175 -44.992 1.00 1.00 H new ATOM 0 HG2 ARG A 90 20.305 62.437 -45.426 1.00 75.44 H new ATOM 0 HG3 ARG A 90 19.071 62.165 -44.212 1.00 75.44 H new ATOM 0 HD2 ARG A 90 20.925 63.472 -43.279 1.00 14.21 H new ATOM 0 HD3 ARG A 90 20.791 61.924 -42.468 1.00 14.21 H new ATOM 0 HE ARG A 90 22.628 61.488 -44.536 1.00 45.22 H new ATOM 0 HH11 ARG A 90 22.366 63.773 -41.849 1.00 34.45 H new ATOM 0 HH12 ARG A 90 24.112 63.836 -41.585 1.00 34.45 H new ATOM 0 HH21 ARG A 90 24.854 61.566 -44.185 1.00 21.12 H new ATOM 0 HH22 ARG A 90 25.518 62.589 -42.906 1.00 21.12 H new ATOM 1337 N ASP A 91 18.914 61.562 -47.494 1.00 14.33 N ATOM 1338 CA ASP A 91 19.143 62.258 -48.766 1.00 71.02 C ATOM 1339 C ASP A 91 18.819 61.356 -49.952 1.00 43.52 C ATOM 1340 O ASP A 91 19.272 61.597 -51.072 1.00 61.51 O ATOM 1341 CB ASP A 91 20.593 62.757 -48.860 1.00 34.34 C ATOM 1342 CG ASP A 91 20.811 64.072 -48.138 1.00 2.00 C ATOM 1343 OD1 ASP A 91 21.120 65.078 -48.813 1.00 21.24 O ATOM 1344 OD2 ASP A 91 20.659 64.114 -46.897 1.00 32.31 O1- ATOM 0 H ASP A 91 18.191 61.986 -46.912 1.00 14.33 H new ATOM 0 HA ASP A 91 18.475 63.119 -48.798 1.00 71.02 H new ATOM 0 HB2 ASP A 91 21.259 62.003 -48.441 1.00 34.34 H new ATOM 0 HB3 ASP A 91 20.864 62.875 -49.909 1.00 34.34 H new ATOM 1349 N GLY A 92 18.027 60.320 -49.697 1.00 75.32 N ATOM 1350 CA GLY A 92 17.646 59.395 -50.745 1.00 62.34 C ATOM 1351 C GLY A 92 18.677 58.308 -50.959 1.00 52.21 C ATOM 1352 O GLY A 92 18.478 57.408 -51.772 1.00 23.30 O ATOM 0 H GLY A 92 17.641 60.105 -48.778 1.00 75.32 H new ATOM 0 HA2 GLY A 92 16.689 58.939 -50.493 1.00 62.34 H new ATOM 0 HA3 GLY A 92 17.502 59.944 -51.676 1.00 62.34 H new ATOM 1356 N GLN A 93 19.778 58.380 -50.223 1.00 55.42 N ATOM 1357 CA GLN A 93 20.856 57.416 -50.371 1.00 43.03 C ATOM 1358 C GLN A 93 20.699 56.271 -49.378 1.00 53.23 C ATOM 1359 O GLN A 93 20.535 56.495 -48.175 1.00 62.41 O ATOM 1360 CB GLN A 93 22.213 58.099 -50.161 1.00 32.14 C ATOM 1361 CG GLN A 93 22.498 59.241 -51.129 1.00 62.32 C ATOM 1362 CD GLN A 93 23.119 58.790 -52.443 1.00 5.43 C ATOM 1363 OE1 GLN A 93 22.831 57.571 -52.870 1.00 25.23 O flip ATOM 1364 NE2 GLN A 93 23.871 59.536 -53.072 1.00 33.20 N flip ATOM 0 H GLN A 93 19.947 59.097 -49.517 1.00 55.42 H new ATOM 0 HA GLN A 93 20.810 57.011 -51.382 1.00 43.03 H new ATOM 0 HB2 GLN A 93 22.259 58.482 -49.142 1.00 32.14 H new ATOM 0 HB3 GLN A 93 23.001 57.352 -50.257 1.00 32.14 H new ATOM 0 HG2 GLN A 93 21.567 59.768 -51.339 1.00 62.32 H new ATOM 0 HG3 GLN A 93 23.166 59.955 -50.648 1.00 62.32 H new ATOM 0 HE21 GLN A 93 24.075 60.471 -52.718 1.00 33.20 H new ATOM 0 HE22 GLN A 93 24.290 59.219 -53.946 1.00 33.20 H new ATOM 1373 N LEU A 94 20.711 55.051 -49.892 1.00 22.14 N ATOM 1374 CA LEU A 94 20.699 53.864 -49.052 1.00 50.31 C ATOM 1375 C LEU A 94 22.111 53.526 -48.599 1.00 43.43 C ATOM 1376 O LEU A 94 22.930 53.044 -49.384 1.00 52.24 O ATOM 1377 CB LEU A 94 20.089 52.670 -49.797 1.00 41.23 C ATOM 1378 CG LEU A 94 18.587 52.452 -49.596 1.00 41.02 C ATOM 1379 CD1 LEU A 94 18.294 52.136 -48.141 1.00 1.43 C ATOM 1380 CD2 LEU A 94 17.794 53.668 -50.053 1.00 42.11 C ATOM 0 H LEU A 94 20.729 54.857 -50.893 1.00 22.14 H new ATOM 0 HA LEU A 94 20.083 54.075 -48.178 1.00 50.31 H new ATOM 0 HB2 LEU A 94 20.279 52.796 -50.863 1.00 41.23 H new ATOM 0 HB3 LEU A 94 20.612 51.766 -49.485 1.00 41.23 H new ATOM 0 HG LEU A 94 18.278 51.603 -50.206 1.00 41.02 H new ATOM 0 HD11 LEU A 94 17.223 51.983 -48.010 1.00 1.43 H new ATOM 0 HD12 LEU A 94 18.828 51.231 -47.851 1.00 1.43 H new ATOM 0 HD13 LEU A 94 18.621 52.967 -47.515 1.00 1.43 H new ATOM 0 HD21 LEU A 94 16.730 53.487 -49.900 1.00 42.11 H new ATOM 0 HD22 LEU A 94 18.101 54.540 -49.476 1.00 42.11 H new ATOM 0 HD23 LEU A 94 17.982 53.848 -51.111 1.00 42.11 H new ATOM 1392 N GLN A 95 22.399 53.809 -47.340 1.00 22.34 N ATOM 1393 CA GLN A 95 23.701 53.514 -46.771 1.00 52.10 C ATOM 1394 C GLN A 95 23.594 52.324 -45.829 1.00 55.53 C ATOM 1395 O GLN A 95 23.069 52.435 -44.719 1.00 20.22 O ATOM 1396 CB GLN A 95 24.256 54.736 -46.036 1.00 54.30 C ATOM 1397 CG GLN A 95 24.346 55.973 -46.915 1.00 4.25 C ATOM 1398 CD GLN A 95 24.962 57.155 -46.202 1.00 5.40 C ATOM 1399 OE1 GLN A 95 24.267 57.955 -45.576 1.00 14.41 O ATOM 1400 NE2 GLN A 95 26.275 57.277 -46.300 1.00 5.31 N ATOM 0 H GLN A 95 21.744 54.245 -46.690 1.00 22.34 H new ATOM 0 HA GLN A 95 24.390 53.264 -47.577 1.00 52.10 H new ATOM 0 HB2 GLN A 95 23.622 54.954 -45.177 1.00 54.30 H new ATOM 0 HB3 GLN A 95 25.247 54.500 -45.649 1.00 54.30 H new ATOM 0 HG2 GLN A 95 24.937 55.741 -47.801 1.00 4.25 H new ATOM 0 HG3 GLN A 95 23.347 56.242 -47.259 1.00 4.25 H new ATOM 0 HE21 GLN A 95 26.813 56.591 -46.829 1.00 5.31 H new ATOM 0 HE22 GLN A 95 26.750 58.057 -45.846 1.00 5.31 H new ATOM 1409 N LEU A 96 24.073 51.185 -46.289 1.00 75.11 N ATOM 1410 CA LEU A 96 23.997 49.959 -45.519 1.00 53.33 C ATOM 1411 C LEU A 96 25.227 49.819 -44.630 1.00 12.32 C ATOM 1412 O LEU A 96 26.342 49.638 -45.123 1.00 51.50 O ATOM 1413 CB LEU A 96 23.887 48.757 -46.457 1.00 11.23 C ATOM 1414 CG LEU A 96 23.608 47.420 -45.772 1.00 54.15 C ATOM 1415 CD1 LEU A 96 22.238 47.439 -45.116 1.00 12.31 C ATOM 1416 CD2 LEU A 96 23.707 46.276 -46.770 1.00 11.35 C ATOM 0 H LEU A 96 24.522 51.083 -47.199 1.00 75.11 H new ATOM 0 HA LEU A 96 23.110 49.996 -44.887 1.00 53.33 H new ATOM 0 HB2 LEU A 96 23.092 48.950 -47.178 1.00 11.23 H new ATOM 0 HB3 LEU A 96 24.815 48.671 -47.022 1.00 11.23 H new ATOM 0 HG LEU A 96 24.360 47.264 -44.999 1.00 54.15 H new ATOM 0 HD11 LEU A 96 22.053 46.480 -44.632 1.00 12.31 H new ATOM 0 HD12 LEU A 96 22.202 48.234 -44.371 1.00 12.31 H new ATOM 0 HD13 LEU A 96 21.474 47.616 -45.873 1.00 12.31 H new ATOM 0 HD21 LEU A 96 23.505 45.332 -46.263 1.00 11.35 H new ATOM 0 HD22 LEU A 96 22.977 46.424 -47.566 1.00 11.35 H new ATOM 0 HD23 LEU A 96 24.710 46.251 -47.197 1.00 11.35 H new ATOM 1428 N ASN A 97 25.025 49.919 -43.327 1.00 24.34 N ATOM 1429 CA ASN A 97 26.118 49.781 -42.380 1.00 24.31 C ATOM 1430 C ASN A 97 26.180 48.354 -41.871 1.00 43.41 C ATOM 1431 O ASN A 97 25.209 47.842 -41.315 1.00 33.42 O ATOM 1432 CB ASN A 97 25.959 50.744 -41.204 1.00 32.34 C ATOM 1433 CG ASN A 97 26.116 52.197 -41.602 1.00 4.11 C ATOM 1434 OD1 ASN A 97 27.225 52.731 -41.619 1.00 11.22 O ATOM 1435 ND2 ASN A 97 25.006 52.855 -41.899 1.00 2.51 N ATOM 0 H ASN A 97 24.115 50.095 -42.901 1.00 24.34 H new ATOM 0 HA ASN A 97 27.046 50.027 -42.896 1.00 24.31 H new ATOM 0 HB2 ASN A 97 24.976 50.600 -40.755 1.00 32.34 H new ATOM 0 HB3 ASN A 97 26.697 50.501 -40.440 1.00 32.34 H new ATOM 0 HD21 ASN A 97 25.051 53.842 -42.154 1.00 2.51 H new ATOM 0 HD22 ASN A 97 24.106 52.375 -41.873 1.00 2.51 H new ATOM 1442 N VAL A 98 27.310 47.710 -42.085 1.00 45.14 N ATOM 1443 CA VAL A 98 27.496 46.341 -41.643 1.00 72.02 C ATOM 1444 C VAL A 98 28.778 46.206 -40.828 1.00 15.31 C ATOM 1445 O VAL A 98 29.854 46.630 -41.249 1.00 42.35 O ATOM 1446 CB VAL A 98 27.506 45.357 -42.839 1.00 44.14 C ATOM 1447 CG1 VAL A 98 28.619 45.682 -43.824 1.00 50.42 C ATOM 1448 CG2 VAL A 98 27.612 43.919 -42.358 1.00 24.02 C ATOM 0 H VAL A 98 28.116 48.113 -42.563 1.00 45.14 H new ATOM 0 HA VAL A 98 26.651 46.082 -41.005 1.00 72.02 H new ATOM 0 HB VAL A 98 26.558 45.473 -43.365 1.00 44.14 H new ATOM 0 HG11 VAL A 98 28.594 44.970 -44.649 1.00 50.42 H new ATOM 0 HG12 VAL A 98 28.479 46.691 -44.211 1.00 50.42 H new ATOM 0 HG13 VAL A 98 29.583 45.618 -43.318 1.00 50.42 H new ATOM 0 HG21 VAL A 98 27.617 43.248 -43.217 1.00 24.02 H new ATOM 0 HG22 VAL A 98 28.535 43.792 -41.792 1.00 24.02 H new ATOM 0 HG23 VAL A 98 26.760 43.685 -41.720 1.00 24.02 H new ATOM 1458 N THR A 99 28.647 45.646 -39.638 1.00 13.53 N ATOM 1459 CA THR A 99 29.791 45.424 -38.773 1.00 63.52 C ATOM 1460 C THR A 99 30.042 43.927 -38.607 1.00 34.14 C ATOM 1461 O THR A 99 29.145 43.181 -38.216 1.00 52.04 O ATOM 1462 CB THR A 99 29.579 46.074 -37.393 1.00 15.12 C ATOM 1463 OG1 THR A 99 29.034 47.392 -37.559 1.00 32.14 O ATOM 1464 CG2 THR A 99 30.893 46.163 -36.629 1.00 64.32 C ATOM 0 H THR A 99 27.757 45.336 -39.248 1.00 13.53 H new ATOM 0 HA THR A 99 30.661 45.887 -39.240 1.00 63.52 H new ATOM 0 HB THR A 99 28.886 45.455 -36.824 1.00 15.12 H new ATOM 0 HG1 THR A 99 28.898 47.803 -36.680 1.00 32.14 H new ATOM 0 HG21 THR A 99 30.718 46.625 -35.658 1.00 64.32 H new ATOM 0 HG22 THR A 99 31.300 45.162 -36.487 1.00 64.32 H new ATOM 0 HG23 THR A 99 31.603 46.766 -37.195 1.00 64.32 H new ATOM 1472 N ASP A 100 31.253 43.499 -38.934 1.00 61.11 N ATOM 1473 CA ASP A 100 31.639 42.094 -38.828 1.00 23.41 C ATOM 1474 C ASP A 100 31.771 41.679 -37.365 1.00 63.40 C ATOM 1475 O ASP A 100 32.107 42.503 -36.513 1.00 62.23 O ATOM 1476 CB ASP A 100 32.964 41.875 -39.560 1.00 14.41 C ATOM 1477 CG ASP A 100 33.411 40.427 -39.562 1.00 53.52 C ATOM 1478 OD1 ASP A 100 34.565 40.168 -39.171 1.00 4.12 O ATOM 1479 OD2 ASP A 100 32.614 39.543 -39.936 1.00 11.31 O1- ATOM 0 H ASP A 100 31.994 44.110 -39.279 1.00 61.11 H new ATOM 0 HA ASP A 100 30.864 41.479 -39.286 1.00 23.41 H new ATOM 0 HB2 ASP A 100 32.865 42.220 -40.589 1.00 14.41 H new ATOM 0 HB3 ASP A 100 33.736 42.486 -39.092 1.00 14.41 H new ATOM 1484 N ARG A 101 31.500 40.413 -37.067 1.00 1.22 N ATOM 1485 CA ARG A 101 31.580 39.932 -35.693 1.00 70.42 C ATOM 1486 C ARG A 101 32.929 39.260 -35.427 1.00 41.44 C ATOM 1487 O ARG A 101 33.273 38.977 -34.282 1.00 3.54 O ATOM 1488 CB ARG A 101 30.412 38.975 -35.384 1.00 70.04 C ATOM 1489 CG ARG A 101 30.480 37.623 -36.085 1.00 12.41 C ATOM 1490 CD ARG A 101 31.183 36.574 -35.235 1.00 13.24 C ATOM 1491 NE ARG A 101 30.476 36.316 -33.978 1.00 14.53 N ATOM 1492 CZ ARG A 101 31.015 36.493 -32.770 1.00 32.32 C ATOM 1493 NH1 ARG A 101 32.267 36.916 -32.651 1.00 20.33 N1+ ATOM 1494 NH2 ARG A 101 30.308 36.234 -31.679 1.00 52.25 N ATOM 0 H ARG A 101 31.226 39.708 -37.751 1.00 1.22 H new ATOM 0 HA ARG A 101 31.499 40.790 -35.025 1.00 70.42 H new ATOM 0 HB2 ARG A 101 30.375 38.807 -34.308 1.00 70.04 H new ATOM 0 HB3 ARG A 101 29.479 39.464 -35.662 1.00 70.04 H new ATOM 0 HG2 ARG A 101 29.470 37.284 -36.317 1.00 12.41 H new ATOM 0 HG3 ARG A 101 31.006 37.733 -37.034 1.00 12.41 H new ATOM 0 HD2 ARG A 101 31.265 35.646 -35.801 1.00 13.24 H new ATOM 0 HD3 ARG A 101 32.198 36.906 -35.017 1.00 13.24 H new ATOM 0 HE ARG A 101 29.514 35.981 -34.029 1.00 14.53 H new ATOM 0 HH11 ARG A 101 32.822 37.107 -33.485 1.00 20.33 H new ATOM 0 HH12 ARG A 101 32.674 37.050 -31.725 1.00 20.33 H new ATOM 0 HH21 ARG A 101 29.348 35.898 -31.761 1.00 52.25 H new ATOM 0 HH22 ARG A 101 30.724 36.371 -30.758 1.00 52.25 H new ATOM 1508 N LYS A 102 33.692 39.011 -36.485 1.00 25.22 N ATOM 1509 CA LYS A 102 34.997 38.364 -36.351 1.00 51.24 C ATOM 1510 C LYS A 102 36.076 39.417 -36.156 1.00 24.03 C ATOM 1511 O LYS A 102 36.731 39.486 -35.114 1.00 61.52 O ATOM 1512 CB LYS A 102 35.332 37.555 -37.605 1.00 63.24 C ATOM 1513 CG LYS A 102 34.146 36.841 -38.218 1.00 64.00 C ATOM 1514 CD LYS A 102 34.475 36.368 -39.623 1.00 42.35 C ATOM 1515 CE LYS A 102 33.242 35.874 -40.351 1.00 32.33 C ATOM 1516 NZ LYS A 102 32.179 36.912 -40.405 1.00 73.14 N1+ ATOM 0 H LYS A 102 33.433 39.245 -37.443 1.00 25.22 H new ATOM 0 HA LYS A 102 34.957 37.697 -35.490 1.00 51.24 H new ATOM 0 HB2 LYS A 102 35.764 38.223 -38.350 1.00 63.24 H new ATOM 0 HB3 LYS A 102 36.096 36.819 -37.355 1.00 63.24 H new ATOM 0 HG2 LYS A 102 33.867 35.989 -37.598 1.00 64.00 H new ATOM 0 HG3 LYS A 102 33.286 37.510 -38.246 1.00 64.00 H new ATOM 0 HD2 LYS A 102 34.927 37.185 -40.186 1.00 42.35 H new ATOM 0 HD3 LYS A 102 35.214 35.568 -39.574 1.00 42.35 H new ATOM 0 HE2 LYS A 102 33.513 35.578 -41.365 1.00 32.33 H new ATOM 0 HE3 LYS A 102 32.857 34.985 -39.851 1.00 32.33 H new ATOM 0 HZ1 LYS A 102 31.531 36.705 -41.192 1.00 73.14 H new ATOM 0 HZ2 LYS A 102 31.648 36.912 -39.511 1.00 73.14 H new ATOM 0 HZ3 LYS A 102 32.613 37.846 -40.550 1.00 73.14 H new ATOM 1530 N THR A 103 36.249 40.233 -37.183 1.00 32.11 N ATOM 1531 CA THR A 103 37.237 41.295 -37.184 1.00 65.25 C ATOM 1532 C THR A 103 36.653 42.552 -36.556 1.00 51.12 C ATOM 1533 O THR A 103 37.278 43.206 -35.719 1.00 72.12 O ATOM 1534 CB THR A 103 37.689 41.617 -38.623 1.00 3.51 C ATOM 1535 OG1 THR A 103 36.544 41.930 -39.432 1.00 71.14 O ATOM 1536 CG2 THR A 103 38.437 40.443 -39.239 1.00 15.44 C ATOM 0 H THR A 103 35.704 40.175 -38.043 1.00 32.11 H new ATOM 0 HA THR A 103 38.097 40.958 -36.605 1.00 65.25 H new ATOM 0 HB THR A 103 38.362 42.474 -38.584 1.00 3.51 H new ATOM 0 HG1 THR A 103 36.033 41.112 -39.606 1.00 71.14 H new ATOM 0 HG21 THR A 103 38.743 40.699 -40.253 1.00 15.44 H new ATOM 0 HG22 THR A 103 39.319 40.218 -38.639 1.00 15.44 H new ATOM 0 HG23 THR A 103 37.785 39.570 -39.266 1.00 15.44 H new ATOM 1544 N GLY A 104 35.431 42.863 -36.963 1.00 65.24 N ATOM 1545 CA GLY A 104 34.750 44.039 -36.477 1.00 42.41 C ATOM 1546 C GLY A 104 34.839 45.195 -37.446 1.00 24.42 C ATOM 1547 O GLY A 104 34.626 46.348 -37.067 1.00 13.23 O ATOM 0 H GLY A 104 34.895 42.310 -37.632 1.00 65.24 H new ATOM 0 HA2 GLY A 104 33.702 43.800 -36.295 1.00 42.41 H new ATOM 0 HA3 GLY A 104 35.180 44.336 -35.520 1.00 42.41 H new ATOM 1551 N GLN A 105 35.160 44.887 -38.699 1.00 51.35 N ATOM 1552 CA GLN A 105 35.178 45.892 -39.748 1.00 72.04 C ATOM 1553 C GLN A 105 33.803 46.528 -39.893 1.00 12.40 C ATOM 1554 O GLN A 105 32.784 45.836 -39.887 1.00 64.30 O ATOM 1555 CB GLN A 105 35.608 45.282 -41.085 1.00 71.44 C ATOM 1556 CG GLN A 105 37.096 44.990 -41.190 1.00 11.23 C ATOM 1557 CD GLN A 105 37.952 46.248 -41.183 1.00 44.43 C ATOM 1558 OE1 GLN A 105 37.610 47.249 -40.555 1.00 42.45 O ATOM 1559 NE2 GLN A 105 39.054 46.214 -41.911 1.00 23.32 N ATOM 0 H GLN A 105 35.411 43.948 -39.009 1.00 51.35 H new ATOM 0 HA GLN A 105 35.901 46.658 -39.467 1.00 72.04 H new ATOM 0 HB2 GLN A 105 35.056 44.355 -41.242 1.00 71.44 H new ATOM 0 HB3 GLN A 105 35.326 45.962 -41.889 1.00 71.44 H new ATOM 0 HG2 GLN A 105 37.394 44.350 -40.360 1.00 11.23 H new ATOM 0 HG3 GLN A 105 37.287 44.432 -42.107 1.00 11.23 H new ATOM 0 HE21 GLN A 105 39.304 45.365 -42.418 1.00 23.32 H new ATOM 0 HE22 GLN A 105 39.654 47.037 -41.966 1.00 23.32 H new ATOM 1568 N THR A 106 33.782 47.843 -40.000 1.00 25.35 N ATOM 1569 CA THR A 106 32.542 48.579 -40.147 1.00 43.25 C ATOM 1570 C THR A 106 32.429 49.132 -41.564 1.00 44.11 C ATOM 1571 O THR A 106 33.076 50.120 -41.907 1.00 33.22 O ATOM 1572 CB THR A 106 32.468 49.734 -39.133 1.00 61.32 C ATOM 1573 OG1 THR A 106 32.818 49.251 -37.826 1.00 1.35 O ATOM 1574 CG2 THR A 106 31.073 50.339 -39.100 1.00 5.13 C ATOM 0 H THR A 106 34.618 48.427 -39.988 1.00 25.35 H new ATOM 0 HA THR A 106 31.714 47.896 -39.957 1.00 43.25 H new ATOM 0 HB THR A 106 33.171 50.509 -39.439 1.00 61.32 H new ATOM 0 HG1 THR A 106 32.772 49.988 -37.182 1.00 1.35 H new ATOM 0 HG21 THR A 106 31.047 51.153 -38.376 1.00 5.13 H new ATOM 0 HG22 THR A 106 30.820 50.724 -40.088 1.00 5.13 H new ATOM 0 HG23 THR A 106 30.351 49.574 -38.813 1.00 5.13 H new ATOM 1582 N SER A 107 31.624 48.478 -42.382 1.00 30.10 N ATOM 1583 CA SER A 107 31.473 48.864 -43.771 1.00 71.15 C ATOM 1584 C SER A 107 30.185 49.653 -43.965 1.00 42.21 C ATOM 1585 O SER A 107 29.108 49.208 -43.566 1.00 53.14 O ATOM 1586 CB SER A 107 31.467 47.617 -44.657 1.00 62.32 C ATOM 1587 OG SER A 107 31.512 47.955 -46.034 1.00 35.01 O ATOM 0 H SER A 107 31.062 47.673 -42.105 1.00 30.10 H new ATOM 0 HA SER A 107 32.313 49.499 -44.054 1.00 71.15 H new ATOM 0 HB2 SER A 107 32.322 46.989 -44.408 1.00 62.32 H new ATOM 0 HB3 SER A 107 30.571 47.030 -44.455 1.00 62.32 H new ATOM 0 HG SER A 107 31.509 47.136 -46.572 1.00 35.01 H new ATOM 1593 N THR A 108 30.304 50.837 -44.542 1.00 61.34 N ATOM 1594 CA THR A 108 29.142 51.633 -44.881 1.00 45.01 C ATOM 1595 C THR A 108 28.958 51.651 -46.395 1.00 51.14 C ATOM 1596 O THR A 108 29.622 52.405 -47.111 1.00 24.12 O ATOM 1597 CB THR A 108 29.263 53.074 -44.346 1.00 51.54 C ATOM 1598 OG1 THR A 108 29.561 53.053 -42.940 1.00 42.23 O ATOM 1599 CG2 THR A 108 27.971 53.846 -44.580 1.00 12.31 C ATOM 0 H THR A 108 31.197 51.267 -44.785 1.00 61.34 H new ATOM 0 HA THR A 108 28.271 51.178 -44.409 1.00 45.01 H new ATOM 0 HB THR A 108 30.071 53.571 -44.883 1.00 51.54 H new ATOM 0 HG1 THR A 108 28.725 53.019 -42.429 1.00 42.23 H new ATOM 0 HG21 THR A 108 28.078 54.860 -44.195 1.00 12.31 H new ATOM 0 HG22 THR A 108 27.758 53.884 -45.648 1.00 12.31 H new ATOM 0 HG23 THR A 108 27.151 53.347 -44.064 1.00 12.31 H new ATOM 1607 N ILE A 109 28.079 50.790 -46.877 1.00 13.34 N ATOM 1608 CA ILE A 109 27.843 50.650 -48.302 1.00 55.11 C ATOM 1609 C ILE A 109 26.832 51.683 -48.781 1.00 14.15 C ATOM 1610 O ILE A 109 25.636 51.565 -48.514 1.00 1.14 O ATOM 1611 CB ILE A 109 27.331 49.235 -48.648 1.00 61.20 C ATOM 1612 CG1 ILE A 109 28.298 48.177 -48.107 1.00 73.01 C ATOM 1613 CG2 ILE A 109 27.169 49.085 -50.159 1.00 4.42 C ATOM 1614 CD1 ILE A 109 27.814 46.756 -48.302 1.00 12.41 C ATOM 0 H ILE A 109 27.512 50.172 -46.296 1.00 13.34 H new ATOM 0 HA ILE A 109 28.795 50.812 -48.808 1.00 55.11 H new ATOM 0 HB ILE A 109 26.358 49.090 -48.180 1.00 61.20 H new ATOM 0 HG12 ILE A 109 29.263 48.294 -48.599 1.00 73.01 H new ATOM 0 HG13 ILE A 109 28.459 48.354 -47.044 1.00 73.01 H new ATOM 0 HG21 ILE A 109 26.807 48.083 -50.388 1.00 4.42 H new ATOM 0 HG22 ILE A 109 26.452 49.821 -50.523 1.00 4.42 H new ATOM 0 HG23 ILE A 109 28.131 49.244 -50.646 1.00 4.42 H new ATOM 0 HD11 ILE A 109 28.549 46.062 -47.895 1.00 12.41 H new ATOM 0 HD12 ILE A 109 26.863 46.621 -47.786 1.00 12.41 H new ATOM 0 HD13 ILE A 109 27.680 46.560 -49.366 1.00 12.41 H new ATOM 1626 N GLN A 110 27.316 52.708 -49.466 1.00 42.43 N ATOM 1627 CA GLN A 110 26.440 53.743 -49.989 1.00 3.53 C ATOM 1628 C GLN A 110 26.194 53.530 -51.477 1.00 10.22 C ATOM 1629 O GLN A 110 27.067 53.784 -52.312 1.00 61.10 O ATOM 1630 CB GLN A 110 27.011 55.145 -49.733 1.00 51.25 C ATOM 1631 CG GLN A 110 28.437 55.346 -50.234 1.00 2.41 C ATOM 1632 CD GLN A 110 28.897 56.783 -50.108 1.00 4.14 C ATOM 1633 OE1 GLN A 110 28.730 57.585 -51.029 1.00 23.33 O ATOM 1634 NE2 GLN A 110 29.491 57.119 -48.971 1.00 32.10 N ATOM 0 H GLN A 110 28.306 52.844 -49.672 1.00 42.43 H new ATOM 0 HA GLN A 110 25.489 53.671 -49.462 1.00 3.53 H new ATOM 0 HB2 GLN A 110 26.364 55.880 -50.211 1.00 51.25 H new ATOM 0 HB3 GLN A 110 26.984 55.345 -48.662 1.00 51.25 H new ATOM 0 HG2 GLN A 110 29.111 54.701 -49.671 1.00 2.41 H new ATOM 0 HG3 GLN A 110 28.499 55.038 -51.278 1.00 2.41 H new ATOM 0 HE21 GLN A 110 29.610 56.425 -48.233 1.00 32.10 H new ATOM 0 HE22 GLN A 110 29.829 58.072 -48.834 1.00 32.10 H new ATOM 1643 N VAL A 111 25.010 53.038 -51.804 1.00 22.34 N ATOM 1644 CA VAL A 111 24.647 52.815 -53.193 1.00 74.24 C ATOM 1645 C VAL A 111 24.508 54.153 -53.914 1.00 21.00 C ATOM 1646 O VAL A 111 23.819 55.058 -53.446 1.00 75.11 O ATOM 1647 CB VAL A 111 23.341 51.990 -53.326 1.00 73.33 C ATOM 1648 CG1 VAL A 111 22.161 52.705 -52.689 1.00 13.23 C ATOM 1649 CG2 VAL A 111 23.049 51.678 -54.787 1.00 44.35 C ATOM 0 H VAL A 111 24.287 52.787 -51.130 1.00 22.34 H new ATOM 0 HA VAL A 111 25.444 52.234 -53.657 1.00 74.24 H new ATOM 0 HB VAL A 111 23.489 51.052 -52.791 1.00 73.33 H new ATOM 0 HG11 VAL A 111 21.263 52.097 -52.802 1.00 13.23 H new ATOM 0 HG12 VAL A 111 22.361 52.864 -51.629 1.00 13.23 H new ATOM 0 HG13 VAL A 111 22.011 53.667 -53.179 1.00 13.23 H new ATOM 0 HG21 VAL A 111 22.129 51.099 -54.858 1.00 44.35 H new ATOM 0 HG22 VAL A 111 22.936 52.609 -55.342 1.00 44.35 H new ATOM 0 HG23 VAL A 111 23.874 51.103 -55.208 1.00 44.35 H new