USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=13 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 78 MET CE :methyl 140:sc= -0.099 (180deg=-0.656) USER MOD Set 1.2: A 80 THR OG1 : rot 180:sc= -0.0347 USER MOD Set 2.1: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.338 K(o=-0.34,f=-4.1!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.269 K(o=-0.27,f=-1.1) USER MOD Single : A 59 GLN : amide:sc= -1.54 K(o=-1.5,f=-7.8!) USER MOD Single : A 60 SER OG : rot 180:sc= 0.0159 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot -24:sc= 0.0164 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 ASN : amide:sc= -0.0168 K(o=-0.017,f=-0.52) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -1.99 K(o=-2,f=-0.1) USER MOD Single : A 93 GLN : amide:sc= -1.64! K(o=-1.6!,f=0) USER MOD Single : A 95 GLN : amide:sc= -1.3! K(o=-1.3!,f=-0.067) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot -1:sc= 1.21 USER MOD Single : A 105 GLN : amide:sc= -0.218 K(o=-0.22,f=-0.94) 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 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 659 N GLU A 46 18.239 41.290 -18.386 1.00 65.21 N ATOM 660 CA GLU A 46 17.979 42.161 -17.252 1.00 41.54 C ATOM 661 C GLU A 46 19.253 42.430 -16.449 1.00 5.12 C ATOM 662 O GLU A 46 19.271 43.286 -15.564 1.00 43.23 O ATOM 663 CB GLU A 46 16.913 41.529 -16.360 1.00 55.55 C ATOM 664 CG GLU A 46 15.582 41.319 -17.066 1.00 14.53 C ATOM 665 CD GLU A 46 14.567 40.598 -16.204 1.00 0.14 C ATOM 666 OE1 GLU A 46 14.165 41.155 -15.164 1.00 65.32 O ATOM 667 OE2 GLU A 46 14.157 39.475 -16.568 1.00 5.55 O1- ATOM 0 HA GLU A 46 17.620 43.119 -17.628 1.00 41.54 H new ATOM 0 HB2 GLU A 46 17.278 40.569 -15.995 1.00 55.55 H new ATOM 0 HB3 GLU A 46 16.757 42.163 -15.487 1.00 55.55 H new ATOM 0 HG2 GLU A 46 15.177 42.286 -17.363 1.00 14.53 H new ATOM 0 HG3 GLU A 46 15.747 40.748 -17.980 1.00 14.53 H new ATOM 674 N THR A 47 20.321 41.711 -16.764 1.00 53.34 N ATOM 675 CA THR A 47 21.581 41.881 -16.061 1.00 11.21 C ATOM 676 C THR A 47 22.743 42.097 -17.040 1.00 2.33 C ATOM 677 O THR A 47 23.512 41.177 -17.336 1.00 31.14 O ATOM 678 CB THR A 47 21.865 40.689 -15.109 1.00 14.13 C ATOM 679 OG1 THR A 47 23.197 40.767 -14.578 1.00 60.32 O ATOM 680 CG2 THR A 47 21.666 39.353 -15.815 1.00 31.14 C ATOM 0 H THR A 47 20.339 41.006 -17.501 1.00 53.34 H new ATOM 0 HA THR A 47 21.493 42.778 -15.448 1.00 11.21 H new ATOM 0 HB THR A 47 21.151 40.752 -14.287 1.00 14.13 H new ATOM 0 HG1 THR A 47 23.356 40.007 -13.979 1.00 60.32 H new ATOM 0 HG21 THR A 47 21.873 38.540 -15.120 1.00 31.14 H new ATOM 0 HG22 THR A 47 20.637 39.277 -16.166 1.00 31.14 H new ATOM 0 HG23 THR A 47 22.345 39.286 -16.665 1.00 31.14 H new ATOM 688 N PRO A 48 22.867 43.320 -17.580 1.00 63.35 N ATOM 689 CA PRO A 48 23.963 43.690 -18.466 1.00 21.13 C ATOM 690 C PRO A 48 25.248 43.937 -17.684 1.00 23.22 C ATOM 691 O PRO A 48 25.451 45.014 -17.123 1.00 30.10 O ATOM 692 CB PRO A 48 23.481 44.989 -19.139 1.00 72.10 C ATOM 693 CG PRO A 48 22.072 45.192 -18.675 1.00 2.42 C ATOM 694 CD PRO A 48 21.946 44.443 -17.383 1.00 3.12 C ATOM 0 HA PRO A 48 24.196 42.903 -19.183 1.00 21.13 H new ATOM 0 HB2 PRO A 48 24.111 45.833 -18.856 1.00 72.10 H new ATOM 0 HB3 PRO A 48 23.527 44.907 -20.225 1.00 72.10 H new ATOM 0 HG2 PRO A 48 21.857 46.251 -18.534 1.00 2.42 H new ATOM 0 HG3 PRO A 48 21.362 44.819 -19.412 1.00 2.42 H new ATOM 0 HD2 PRO A 48 22.230 45.057 -16.528 1.00 3.12 H new ATOM 0 HD3 PRO A 48 20.925 44.105 -17.207 1.00 3.12 H new ATOM 702 N SER A 49 26.095 42.925 -17.616 1.00 1.52 N ATOM 703 CA SER A 49 27.340 43.027 -16.876 1.00 71.45 C ATOM 704 C SER A 49 28.521 42.676 -17.774 1.00 5.40 C ATOM 705 O SER A 49 29.482 43.437 -17.884 1.00 55.33 O ATOM 706 CB SER A 49 27.298 42.102 -15.659 1.00 4.01 C ATOM 707 OG SER A 49 26.117 42.320 -14.897 1.00 52.25 O ATOM 0 H SER A 49 25.943 42.022 -18.065 1.00 1.52 H new ATOM 0 HA SER A 49 27.465 44.054 -16.533 1.00 71.45 H new ATOM 0 HB2 SER A 49 27.338 41.063 -15.985 1.00 4.01 H new ATOM 0 HB3 SER A 49 28.175 42.275 -15.035 1.00 4.01 H new ATOM 0 HG SER A 49 26.110 41.717 -14.125 1.00 52.25 H new ATOM 713 N ALA A 50 28.431 41.532 -18.441 1.00 4.34 N ATOM 714 CA ALA A 50 29.500 41.079 -19.319 1.00 71.23 C ATOM 715 C ALA A 50 29.354 41.701 -20.700 1.00 52.43 C ATOM 716 O ALA A 50 30.301 42.266 -21.247 1.00 63.35 O ATOM 717 CB ALA A 50 29.500 39.561 -19.419 1.00 52.42 C ATOM 0 H ALA A 50 27.630 40.903 -18.390 1.00 4.34 H new ATOM 0 HA ALA A 50 30.452 41.398 -18.895 1.00 71.23 H new ATOM 0 HB1 ALA A 50 30.306 39.240 -20.079 1.00 52.42 H new ATOM 0 HB2 ALA A 50 29.649 39.131 -18.429 1.00 52.42 H new ATOM 0 HB3 ALA A 50 28.545 39.223 -19.821 1.00 52.42 H new ATOM 723 N LEU A 51 28.150 41.613 -21.252 1.00 14.24 N ATOM 724 CA LEU A 51 27.864 42.170 -22.569 1.00 65.24 C ATOM 725 C LEU A 51 27.729 43.692 -22.512 1.00 54.11 C ATOM 726 O LEU A 51 27.683 44.362 -23.546 1.00 73.42 O ATOM 727 CB LEU A 51 26.597 41.523 -23.153 1.00 34.13 C ATOM 728 CG LEU A 51 25.374 41.472 -22.223 1.00 14.14 C ATOM 729 CD1 LEU A 51 24.669 42.818 -22.158 1.00 42.24 C ATOM 730 CD2 LEU A 51 24.410 40.384 -22.676 1.00 32.32 C ATOM 0 H LEU A 51 27.353 41.159 -20.806 1.00 14.24 H new ATOM 0 HA LEU A 51 28.704 41.944 -23.226 1.00 65.24 H new ATOM 0 HB2 LEU A 51 26.319 42.067 -24.056 1.00 34.13 H new ATOM 0 HB3 LEU A 51 26.840 40.505 -23.456 1.00 34.13 H new ATOM 0 HG LEU A 51 25.726 41.234 -21.219 1.00 14.14 H new ATOM 0 HD11 LEU A 51 23.809 42.747 -21.492 1.00 42.24 H new ATOM 0 HD12 LEU A 51 25.359 43.572 -21.780 1.00 42.24 H new ATOM 0 HD13 LEU A 51 24.333 43.101 -23.155 1.00 42.24 H new ATOM 0 HD21 LEU A 51 23.549 40.360 -22.008 1.00 32.32 H new ATOM 0 HD22 LEU A 51 24.075 40.594 -23.692 1.00 32.32 H new ATOM 0 HD23 LEU A 51 24.915 39.418 -22.653 1.00 32.32 H new ATOM 742 N ASP A 52 27.678 44.226 -21.294 1.00 2.23 N ATOM 743 CA ASP A 52 27.536 45.666 -21.078 1.00 12.25 C ATOM 744 C ASP A 52 28.668 46.433 -21.744 1.00 34.31 C ATOM 745 O ASP A 52 28.440 47.418 -22.443 1.00 33.15 O ATOM 746 CB ASP A 52 27.522 45.983 -19.583 1.00 5.20 C ATOM 747 CG ASP A 52 27.538 47.475 -19.305 1.00 62.52 C ATOM 748 OD1 ASP A 52 26.466 48.104 -19.361 1.00 12.41 O ATOM 749 OD2 ASP A 52 28.627 48.021 -19.015 1.00 63.02 O1- ATOM 0 H ASP A 52 27.733 43.679 -20.435 1.00 2.23 H new ATOM 0 HA ASP A 52 26.591 45.976 -21.524 1.00 12.25 H new ATOM 0 HB2 ASP A 52 26.634 45.542 -19.130 1.00 5.20 H new ATOM 0 HB3 ASP A 52 28.387 45.519 -19.108 1.00 5.20 H new ATOM 754 N ASN A 53 29.883 45.938 -21.552 1.00 61.25 N ATOM 755 CA ASN A 53 31.087 46.589 -22.066 1.00 42.12 C ATOM 756 C ASN A 53 31.063 46.679 -23.590 1.00 63.01 C ATOM 757 O ASN A 53 31.808 47.452 -24.186 1.00 23.25 O ATOM 758 CB ASN A 53 32.343 45.834 -21.616 1.00 44.53 C ATOM 759 CG ASN A 53 32.475 45.727 -20.104 1.00 73.01 C ATOM 760 OD1 ASN A 53 31.483 45.623 -19.378 1.00 72.42 O ATOM 761 ND2 ASN A 53 33.704 45.748 -19.615 1.00 31.23 N ATOM 0 H ASN A 53 30.065 45.076 -21.037 1.00 61.25 H new ATOM 0 HA ASN A 53 31.110 47.600 -21.660 1.00 42.12 H new ATOM 0 HB2 ASN A 53 32.328 44.832 -22.044 1.00 44.53 H new ATOM 0 HB3 ASN A 53 33.223 46.338 -22.015 1.00 44.53 H new ATOM 0 HD21 ASN A 53 33.854 45.677 -18.609 1.00 31.23 H new ATOM 0 HD22 ASN A 53 34.502 45.835 -20.244 1.00 31.23 H new ATOM 768 N PHE A 54 30.205 45.881 -24.214 1.00 22.14 N ATOM 769 CA PHE A 54 30.081 45.880 -25.664 1.00 43.23 C ATOM 770 C PHE A 54 28.886 46.727 -26.102 1.00 0.30 C ATOM 771 O PHE A 54 29.005 47.559 -27.001 1.00 51.31 O ATOM 772 CB PHE A 54 29.932 44.448 -26.188 1.00 64.13 C ATOM 773 CG PHE A 54 29.861 44.352 -27.688 1.00 32.43 C ATOM 774 CD1 PHE A 54 31.005 44.485 -28.460 1.00 20.25 C ATOM 775 CD2 PHE A 54 28.651 44.120 -28.327 1.00 52.44 C ATOM 776 CE1 PHE A 54 30.946 44.391 -29.836 1.00 74.25 C ATOM 777 CE2 PHE A 54 28.586 44.025 -29.705 1.00 41.13 C ATOM 778 CZ PHE A 54 29.735 44.160 -30.459 1.00 1.54 C ATOM 0 H PHE A 54 29.585 45.226 -23.737 1.00 22.14 H new ATOM 0 HA PHE A 54 30.988 46.314 -26.084 1.00 43.23 H new ATOM 0 HB2 PHE A 54 30.774 43.853 -25.835 1.00 64.13 H new ATOM 0 HB3 PHE A 54 29.030 44.008 -25.762 1.00 64.13 H new ATOM 0 HD1 PHE A 54 31.955 44.665 -27.978 1.00 20.25 H new ATOM 0 HD2 PHE A 54 27.750 44.012 -27.741 1.00 52.44 H new ATOM 0 HE1 PHE A 54 31.845 44.498 -30.424 1.00 74.25 H new ATOM 0 HE2 PHE A 54 27.638 43.846 -30.191 1.00 41.13 H new ATOM 0 HZ PHE A 54 29.687 44.085 -31.535 1.00 1.54 H new ATOM 788 N THR A 55 27.742 46.522 -25.454 1.00 75.41 N ATOM 789 CA THR A 55 26.517 47.221 -25.829 1.00 62.12 C ATOM 790 C THR A 55 26.607 48.716 -25.502 1.00 21.25 C ATOM 791 O THR A 55 26.048 49.551 -26.217 1.00 1.24 O ATOM 792 CB THR A 55 25.273 46.592 -25.143 1.00 4.21 C ATOM 793 OG1 THR A 55 24.071 47.227 -25.591 1.00 21.43 O ATOM 794 CG2 THR A 55 25.354 46.696 -23.629 1.00 4.31 C ATOM 0 H THR A 55 27.638 45.879 -24.669 1.00 75.41 H new ATOM 0 HA THR A 55 26.402 47.113 -26.907 1.00 62.12 H new ATOM 0 HB THR A 55 25.257 45.538 -25.421 1.00 4.21 H new ATOM 0 HG1 THR A 55 23.299 46.816 -25.149 1.00 21.43 H new ATOM 0 HG21 THR A 55 24.466 46.245 -23.185 1.00 4.31 H new ATOM 0 HG22 THR A 55 26.242 46.172 -23.275 1.00 4.31 H new ATOM 0 HG23 THR A 55 25.412 47.745 -23.339 1.00 4.31 H new ATOM 802 N GLN A 56 27.343 49.053 -24.447 1.00 32.54 N ATOM 803 CA GLN A 56 27.466 50.442 -24.020 1.00 40.22 C ATOM 804 C GLN A 56 28.253 51.250 -25.049 1.00 42.31 C ATOM 805 O GLN A 56 28.005 52.441 -25.238 1.00 33.50 O ATOM 806 CB GLN A 56 28.157 50.520 -22.659 1.00 24.31 C ATOM 807 CG GLN A 56 27.915 51.827 -21.925 1.00 3.12 C ATOM 808 CD GLN A 56 26.461 52.002 -21.521 1.00 23.51 C ATOM 809 OE1 GLN A 56 25.657 52.563 -22.265 1.00 22.43 O ATOM 810 NE2 GLN A 56 26.111 51.518 -20.341 1.00 51.20 N ATOM 0 H GLN A 56 27.861 48.386 -23.875 1.00 32.54 H new ATOM 0 HA GLN A 56 26.465 50.864 -23.934 1.00 40.22 H new ATOM 0 HB2 GLN A 56 27.810 49.695 -22.037 1.00 24.31 H new ATOM 0 HB3 GLN A 56 29.230 50.385 -22.798 1.00 24.31 H new ATOM 0 HG2 GLN A 56 28.544 51.863 -21.035 1.00 3.12 H new ATOM 0 HG3 GLN A 56 28.215 52.659 -22.561 1.00 3.12 H new ATOM 0 HE21 GLN A 56 26.806 51.059 -19.752 1.00 51.20 H new ATOM 0 HE22 GLN A 56 25.146 51.604 -20.020 1.00 51.20 H new ATOM 819 N ALA A 57 29.180 50.589 -25.730 1.00 43.12 N ATOM 820 CA ALA A 57 30.027 51.252 -26.714 1.00 74.22 C ATOM 821 C ALA A 57 29.268 51.521 -28.014 1.00 13.44 C ATOM 822 O ALA A 57 29.722 52.279 -28.866 1.00 44.41 O ATOM 823 CB ALA A 57 31.266 50.416 -26.978 1.00 32.32 C ATOM 0 H ALA A 57 29.365 49.592 -25.619 1.00 43.12 H new ATOM 0 HA ALA A 57 30.331 52.217 -26.308 1.00 74.22 H new ATOM 0 HB1 ALA A 57 31.894 50.918 -27.714 1.00 32.32 H new ATOM 0 HB2 ALA A 57 31.824 50.290 -26.050 1.00 32.32 H new ATOM 0 HB3 ALA A 57 30.971 49.438 -27.359 1.00 32.32 H new ATOM 829 N ILE A 58 28.103 50.903 -28.156 1.00 52.41 N ATOM 830 CA ILE A 58 27.283 51.089 -29.345 1.00 43.42 C ATOM 831 C ILE A 58 26.363 52.295 -29.164 1.00 42.32 C ATOM 832 O ILE A 58 25.956 52.942 -30.130 1.00 2.22 O ATOM 833 CB ILE A 58 26.439 49.830 -29.653 1.00 4.31 C ATOM 834 CG1 ILE A 58 27.341 48.590 -29.756 1.00 33.32 C ATOM 835 CG2 ILE A 58 25.638 50.018 -30.939 1.00 22.11 C ATOM 836 CD1 ILE A 58 28.405 48.692 -30.832 1.00 75.03 C ATOM 0 H ILE A 58 27.705 50.269 -27.463 1.00 52.41 H new ATOM 0 HA ILE A 58 27.952 51.263 -30.187 1.00 43.42 H new ATOM 0 HB ILE A 58 25.737 49.680 -28.833 1.00 4.31 H new ATOM 0 HG12 ILE A 58 27.826 48.425 -28.794 1.00 33.32 H new ATOM 0 HG13 ILE A 58 26.720 47.716 -29.954 1.00 33.32 H new ATOM 0 HG21 ILE A 58 25.052 49.121 -31.137 1.00 22.11 H new ATOM 0 HG22 ILE A 58 24.969 50.872 -30.830 1.00 22.11 H new ATOM 0 HG23 ILE A 58 26.321 50.196 -31.770 1.00 22.11 H new ATOM 0 HD11 ILE A 58 29.001 47.779 -30.843 1.00 75.03 H new ATOM 0 HD12 ILE A 58 27.929 48.826 -31.803 1.00 75.03 H new ATOM 0 HD13 ILE A 58 29.052 49.545 -30.625 1.00 75.03 H new ATOM 848 N GLN A 59 26.080 52.620 -27.908 1.00 20.32 N ATOM 849 CA GLN A 59 25.127 53.674 -27.574 1.00 43.14 C ATOM 850 C GLN A 59 25.605 55.052 -28.038 1.00 30.01 C ATOM 851 O GLN A 59 24.798 55.962 -28.228 1.00 22.32 O ATOM 852 CB GLN A 59 24.888 53.707 -26.064 1.00 0.24 C ATOM 853 CG GLN A 59 24.340 52.406 -25.493 1.00 33.03 C ATOM 854 CD GLN A 59 22.900 52.130 -25.893 1.00 32.54 C ATOM 855 OE1 GLN A 59 22.449 52.513 -26.971 1.00 24.13 O ATOM 856 NE2 GLN A 59 22.168 51.472 -25.012 1.00 51.23 N ATOM 0 H GLN A 59 26.500 52.165 -27.098 1.00 20.32 H new ATOM 0 HA GLN A 59 24.199 53.445 -28.097 1.00 43.14 H new ATOM 0 HB2 GLN A 59 25.827 53.944 -25.563 1.00 0.24 H new ATOM 0 HB3 GLN A 59 24.192 54.514 -25.835 1.00 0.24 H new ATOM 0 HG2 GLN A 59 24.967 51.579 -25.827 1.00 33.03 H new ATOM 0 HG3 GLN A 59 24.407 52.438 -24.406 1.00 33.03 H new ATOM 0 HE21 GLN A 59 22.581 51.172 -24.129 1.00 51.23 H new ATOM 0 HE22 GLN A 59 21.190 51.264 -25.215 1.00 51.23 H new ATOM 865 N SER A 60 26.909 55.201 -28.225 1.00 51.04 N ATOM 866 CA SER A 60 27.490 56.493 -28.562 1.00 11.41 C ATOM 867 C SER A 60 27.201 56.892 -30.010 1.00 54.31 C ATOM 868 O SER A 60 26.873 58.048 -30.291 1.00 71.15 O ATOM 869 CB SER A 60 28.995 56.458 -28.311 1.00 73.34 C ATOM 870 OG SER A 60 29.579 55.315 -28.913 1.00 3.51 O ATOM 0 H SER A 60 27.586 54.442 -28.149 1.00 51.04 H new ATOM 0 HA SER A 60 27.028 57.246 -27.923 1.00 11.41 H new ATOM 0 HB2 SER A 60 29.456 57.361 -28.711 1.00 73.34 H new ATOM 0 HB3 SER A 60 29.189 56.449 -27.239 1.00 73.34 H new ATOM 0 HG SER A 60 30.544 55.312 -28.742 1.00 3.51 H new ATOM 876 N GLN A 61 27.301 55.936 -30.928 1.00 30.10 N ATOM 877 CA GLN A 61 27.126 56.230 -32.347 1.00 24.42 C ATOM 878 C GLN A 61 25.658 56.483 -32.678 1.00 14.32 C ATOM 879 O GLN A 61 25.337 57.080 -33.707 1.00 1.12 O ATOM 880 CB GLN A 61 27.676 55.097 -33.223 1.00 64.21 C ATOM 881 CG GLN A 61 26.903 53.792 -33.105 1.00 32.32 C ATOM 882 CD GLN A 61 27.354 52.763 -34.123 1.00 64.01 C ATOM 883 OE1 GLN A 61 26.837 52.704 -35.237 1.00 52.54 O ATOM 884 NE2 GLN A 61 28.319 51.942 -33.743 1.00 61.52 N ATOM 0 H GLN A 61 27.501 54.958 -30.718 1.00 30.10 H new ATOM 0 HA GLN A 61 27.692 57.136 -32.563 1.00 24.42 H new ATOM 0 HB2 GLN A 61 27.667 55.420 -34.264 1.00 64.21 H new ATOM 0 HB3 GLN A 61 28.717 54.916 -32.954 1.00 64.21 H new ATOM 0 HG2 GLN A 61 27.030 53.387 -32.101 1.00 32.32 H new ATOM 0 HG3 GLN A 61 25.839 53.989 -33.237 1.00 32.32 H new ATOM 0 HE21 GLN A 61 28.721 52.025 -32.809 1.00 61.52 H new ATOM 0 HE22 GLN A 61 28.661 51.226 -34.384 1.00 61.52 H new ATOM 893 N ILE A 62 24.774 56.048 -31.789 1.00 25.21 N ATOM 894 CA ILE A 62 23.345 56.201 -32.000 1.00 60.23 C ATOM 895 C ILE A 62 22.950 57.676 -31.942 1.00 4.22 C ATOM 896 O ILE A 62 22.004 58.098 -32.603 1.00 73.53 O ATOM 897 CB ILE A 62 22.535 55.384 -30.969 1.00 31.41 C ATOM 898 CG1 ILE A 62 22.900 53.900 -31.074 1.00 75.12 C ATOM 899 CG2 ILE A 62 21.038 55.578 -31.174 1.00 11.33 C ATOM 900 CD1 ILE A 62 22.136 53.007 -30.117 1.00 54.33 C ATOM 0 H ILE A 62 25.025 55.586 -30.915 1.00 25.21 H new ATOM 0 HA ILE A 62 23.111 55.815 -32.992 1.00 60.23 H new ATOM 0 HB ILE A 62 22.787 55.742 -29.971 1.00 31.41 H new ATOM 0 HG12 ILE A 62 22.716 53.563 -32.094 1.00 75.12 H new ATOM 0 HG13 ILE A 62 23.968 53.785 -30.888 1.00 75.12 H new ATOM 0 HG21 ILE A 62 20.491 54.992 -30.436 1.00 11.33 H new ATOM 0 HG22 ILE A 62 20.789 56.633 -31.058 1.00 11.33 H new ATOM 0 HG23 ILE A 62 20.762 55.248 -32.176 1.00 11.33 H new ATOM 0 HD11 ILE A 62 22.452 51.973 -30.254 1.00 54.33 H new ATOM 0 HD12 ILE A 62 22.338 53.316 -29.091 1.00 54.33 H new ATOM 0 HD13 ILE A 62 21.068 53.090 -30.317 1.00 54.33 H new ATOM 912 N LEU A 63 23.710 58.461 -31.185 1.00 64.35 N ATOM 913 CA LEU A 63 23.458 59.896 -31.072 1.00 53.53 C ATOM 914 C LEU A 63 23.515 60.572 -32.439 1.00 34.31 C ATOM 915 O LEU A 63 22.703 61.446 -32.744 1.00 74.53 O ATOM 916 CB LEU A 63 24.470 60.555 -30.130 1.00 24.15 C ATOM 917 CG LEU A 63 24.134 60.494 -28.635 1.00 14.34 C ATOM 918 CD1 LEU A 63 24.093 59.058 -28.141 1.00 52.54 C ATOM 919 CD2 LEU A 63 25.142 61.304 -27.837 1.00 61.01 C ATOM 0 H LEU A 63 24.506 58.129 -30.640 1.00 64.35 H new ATOM 0 HA LEU A 63 22.457 60.021 -30.660 1.00 53.53 H new ATOM 0 HB2 LEU A 63 25.441 60.083 -30.284 1.00 24.15 H new ATOM 0 HB3 LEU A 63 24.575 61.601 -30.416 1.00 24.15 H new ATOM 0 HG LEU A 63 23.143 60.925 -28.491 1.00 14.34 H new ATOM 0 HD11 LEU A 63 23.853 59.046 -27.078 1.00 52.54 H new ATOM 0 HD12 LEU A 63 23.332 58.505 -28.692 1.00 52.54 H new ATOM 0 HD13 LEU A 63 25.065 58.591 -28.298 1.00 52.54 H new ATOM 0 HD21 LEU A 63 24.893 61.253 -26.777 1.00 61.01 H new ATOM 0 HD22 LEU A 63 26.141 60.898 -27.995 1.00 61.01 H new ATOM 0 HD23 LEU A 63 25.116 62.343 -28.166 1.00 61.01 H new ATOM 931 N GLY A 64 24.471 60.156 -33.263 1.00 54.14 N ATOM 932 CA GLY A 64 24.588 60.712 -34.599 1.00 43.53 C ATOM 933 C GLY A 64 23.540 60.157 -35.539 1.00 42.50 C ATOM 934 O GLY A 64 23.079 60.845 -36.451 1.00 45.41 O ATOM 0 H GLY A 64 25.165 59.446 -33.031 1.00 54.14 H new ATOM 0 HA2 GLY A 64 24.492 61.797 -34.550 1.00 43.53 H new ATOM 0 HA3 GLY A 64 25.580 60.497 -34.995 1.00 43.53 H new ATOM 938 N GLY A 65 23.149 58.910 -35.305 1.00 25.24 N ATOM 939 CA GLY A 65 22.155 58.268 -36.143 1.00 5.50 C ATOM 940 C GLY A 65 20.754 58.793 -35.893 1.00 33.53 C ATOM 941 O GLY A 65 19.901 58.740 -36.781 1.00 11.34 O ATOM 0 H GLY A 65 23.505 58.330 -34.546 1.00 25.24 H new ATOM 0 HA2 GLY A 65 22.415 58.421 -37.190 1.00 5.50 H new ATOM 0 HA3 GLY A 65 22.174 57.193 -35.964 1.00 5.50 H new ATOM 945 N LEU A 66 20.522 59.314 -34.688 1.00 53.33 N ATOM 946 CA LEU A 66 19.212 59.839 -34.303 1.00 72.23 C ATOM 947 C LEU A 66 18.728 60.905 -35.280 1.00 34.12 C ATOM 948 O LEU A 66 17.541 60.971 -35.593 1.00 33.03 O ATOM 949 CB LEU A 66 19.251 60.419 -32.885 1.00 31.31 C ATOM 950 CG LEU A 66 19.393 59.390 -31.761 1.00 64.21 C ATOM 951 CD1 LEU A 66 19.466 60.087 -30.411 1.00 22.03 C ATOM 952 CD2 LEU A 66 18.231 58.405 -31.791 1.00 65.03 C ATOM 0 H LEU A 66 21.230 59.384 -33.957 1.00 53.33 H new ATOM 0 HA LEU A 66 18.511 59.005 -34.328 1.00 72.23 H new ATOM 0 HB2 LEU A 66 20.083 61.121 -32.820 1.00 31.31 H new ATOM 0 HB3 LEU A 66 18.338 60.991 -32.719 1.00 31.31 H new ATOM 0 HG LEU A 66 20.319 58.835 -31.914 1.00 64.21 H new ATOM 0 HD11 LEU A 66 19.567 59.342 -29.622 1.00 22.03 H new ATOM 0 HD12 LEU A 66 20.328 60.754 -30.392 1.00 22.03 H new ATOM 0 HD13 LEU A 66 18.556 60.665 -30.250 1.00 22.03 H new ATOM 0 HD21 LEU A 66 18.348 57.680 -30.985 1.00 65.03 H new ATOM 0 HD22 LEU A 66 17.293 58.945 -31.661 1.00 65.03 H new ATOM 0 HD23 LEU A 66 18.220 57.884 -32.749 1.00 65.03 H new ATOM 964 N LEU A 67 19.657 61.705 -35.791 1.00 53.21 N ATOM 965 CA LEU A 67 19.319 62.785 -36.718 1.00 64.45 C ATOM 966 C LEU A 67 18.566 62.257 -37.940 1.00 60.43 C ATOM 967 O LEU A 67 17.724 62.951 -38.512 1.00 44.24 O ATOM 968 CB LEU A 67 20.580 63.531 -37.175 1.00 51.43 C ATOM 969 CG LEU A 67 21.200 64.496 -36.155 1.00 3.00 C ATOM 970 CD1 LEU A 67 21.801 63.748 -34.973 1.00 70.32 C ATOM 971 CD2 LEU A 67 22.256 65.361 -36.824 1.00 22.21 C ATOM 0 H LEU A 67 20.652 61.628 -35.580 1.00 53.21 H new ATOM 0 HA LEU A 67 18.670 63.477 -36.182 1.00 64.45 H new ATOM 0 HB2 LEU A 67 21.334 62.794 -37.452 1.00 51.43 H new ATOM 0 HB3 LEU A 67 20.338 64.094 -38.077 1.00 51.43 H new ATOM 0 HG LEU A 67 20.404 65.136 -35.774 1.00 3.00 H new ATOM 0 HD11 LEU A 67 22.231 64.462 -34.271 1.00 70.32 H new ATOM 0 HD12 LEU A 67 21.022 63.172 -34.473 1.00 70.32 H new ATOM 0 HD13 LEU A 67 22.581 63.074 -35.327 1.00 70.32 H new ATOM 0 HD21 LEU A 67 22.688 66.041 -36.090 1.00 22.21 H new ATOM 0 HD22 LEU A 67 23.040 64.725 -37.235 1.00 22.21 H new ATOM 0 HD23 LEU A 67 21.798 65.938 -37.628 1.00 22.21 H new ATOM 983 N SER A 68 18.864 61.024 -38.326 1.00 40.32 N ATOM 984 CA SER A 68 18.240 60.420 -39.492 1.00 11.31 C ATOM 985 C SER A 68 17.188 59.389 -39.080 1.00 75.02 C ATOM 986 O SER A 68 16.342 58.995 -39.883 1.00 75.11 O ATOM 987 CB SER A 68 19.308 59.770 -40.378 1.00 0.14 C ATOM 988 OG SER A 68 18.758 59.288 -41.591 1.00 4.11 O ATOM 0 H SER A 68 19.535 60.423 -37.847 1.00 40.32 H new ATOM 0 HA SER A 68 17.737 61.204 -40.058 1.00 11.31 H new ATOM 0 HB2 SER A 68 20.091 60.496 -40.596 1.00 0.14 H new ATOM 0 HB3 SER A 68 19.777 58.947 -39.839 1.00 0.14 H new ATOM 0 HG SER A 68 17.801 59.113 -41.470 1.00 4.11 H new ATOM 994 N ASN A 69 17.225 58.962 -37.823 1.00 22.22 N ATOM 995 CA ASN A 69 16.308 57.931 -37.349 1.00 3.21 C ATOM 996 C ASN A 69 15.022 58.550 -36.812 1.00 33.23 C ATOM 997 O ASN A 69 13.962 57.928 -36.845 1.00 41.32 O ATOM 998 CB ASN A 69 16.982 57.079 -36.268 1.00 53.44 C ATOM 999 CG ASN A 69 16.153 55.874 -35.859 1.00 25.14 C ATOM 1000 OD1 ASN A 69 16.237 54.811 -36.477 1.00 41.35 O ATOM 1001 ND2 ASN A 69 15.371 56.023 -34.800 1.00 2.13 N ATOM 0 H ASN A 69 17.875 59.310 -37.118 1.00 22.22 H new ATOM 0 HA ASN A 69 16.049 57.290 -38.192 1.00 3.21 H new ATOM 0 HB2 ASN A 69 17.951 56.739 -36.633 1.00 53.44 H new ATOM 0 HB3 ASN A 69 17.171 57.698 -35.391 1.00 53.44 H new ATOM 0 HD21 ASN A 69 14.809 55.240 -34.467 1.00 2.13 H new ATOM 0 HD22 ASN A 69 15.331 56.921 -34.318 1.00 2.13 H new ATOM 1008 N ILE A 70 15.109 59.789 -36.343 1.00 71.41 N ATOM 1009 CA ILE A 70 13.929 60.502 -35.859 1.00 54.25 C ATOM 1010 C ILE A 70 13.085 60.976 -37.042 1.00 15.54 C ATOM 1011 O ILE A 70 11.884 61.211 -36.919 1.00 23.53 O ATOM 1012 CB ILE A 70 14.317 61.702 -34.955 1.00 3.10 C ATOM 1013 CG1 ILE A 70 15.113 61.223 -33.737 1.00 23.53 C ATOM 1014 CG2 ILE A 70 13.085 62.472 -34.499 1.00 12.32 C ATOM 1015 CD1 ILE A 70 14.382 60.203 -32.884 1.00 42.43 C ATOM 0 H ILE A 70 15.978 60.320 -36.287 1.00 71.41 H new ATOM 0 HA ILE A 70 13.343 59.811 -35.253 1.00 54.25 H new ATOM 0 HB ILE A 70 14.940 62.373 -35.547 1.00 3.10 H new ATOM 0 HG12 ILE A 70 16.053 60.789 -34.078 1.00 23.53 H new ATOM 0 HG13 ILE A 70 15.365 62.085 -33.119 1.00 23.53 H new ATOM 0 HG21 ILE A 70 13.390 63.306 -33.867 1.00 12.32 H new ATOM 0 HG22 ILE A 70 12.551 62.852 -35.370 1.00 12.32 H new ATOM 0 HG23 ILE A 70 12.431 61.809 -33.933 1.00 12.32 H new ATOM 0 HD11 ILE A 70 15.012 59.914 -32.042 1.00 42.43 H new ATOM 0 HD12 ILE A 70 13.455 60.638 -32.511 1.00 42.43 H new ATOM 0 HD13 ILE A 70 14.154 59.323 -33.485 1.00 42.43 H new ATOM 1129 N MET A 78 18.712 44.229 -41.407 1.00 12.00 N ATOM 1130 CA MET A 78 18.657 42.876 -41.926 1.00 2.03 C ATOM 1131 C MET A 78 19.256 41.900 -40.930 1.00 70.13 C ATOM 1132 O MET A 78 20.314 42.155 -40.355 1.00 44.34 O ATOM 1133 CB MET A 78 19.391 42.779 -43.267 1.00 63.14 C ATOM 1134 CG MET A 78 19.302 41.399 -43.904 1.00 52.15 C ATOM 1135 SD MET A 78 20.162 41.290 -45.490 1.00 73.31 S ATOM 1136 CE MET A 78 21.844 41.647 -44.985 1.00 35.54 C ATOM 0 HA MET A 78 17.611 42.616 -42.085 1.00 2.03 H new ATOM 0 HB2 MET A 78 18.976 43.516 -43.954 1.00 63.14 H new ATOM 0 HB3 MET A 78 20.440 43.036 -43.119 1.00 63.14 H new ATOM 0 HG2 MET A 78 19.722 40.662 -43.219 1.00 52.15 H new ATOM 0 HG3 MET A 78 18.253 41.139 -44.048 1.00 52.15 H new ATOM 0 HE1 MET A 78 22.532 40.997 -45.526 1.00 35.54 H new ATOM 0 HE2 MET A 78 22.077 42.688 -45.207 1.00 35.54 H new ATOM 0 HE3 MET A 78 21.947 41.473 -43.914 1.00 35.54 H new ATOM 1146 N VAL A 79 18.564 40.794 -40.719 1.00 63.22 N ATOM 1147 CA VAL A 79 19.051 39.746 -39.841 1.00 53.31 C ATOM 1148 C VAL A 79 20.281 39.083 -40.455 1.00 34.33 C ATOM 1149 O VAL A 79 20.265 38.682 -41.620 1.00 23.05 O ATOM 1150 CB VAL A 79 17.965 38.681 -39.573 1.00 51.15 C ATOM 1151 CG1 VAL A 79 18.432 37.686 -38.524 1.00 62.34 C ATOM 1152 CG2 VAL A 79 16.662 39.340 -39.148 1.00 20.14 C ATOM 0 H VAL A 79 17.659 40.599 -41.146 1.00 63.22 H new ATOM 0 HA VAL A 79 19.317 40.205 -38.889 1.00 53.31 H new ATOM 0 HB VAL A 79 17.786 38.136 -40.500 1.00 51.15 H new ATOM 0 HG11 VAL A 79 17.651 36.946 -38.352 1.00 62.34 H new ATOM 0 HG12 VAL A 79 19.335 37.186 -38.873 1.00 62.34 H new ATOM 0 HG13 VAL A 79 18.645 38.212 -37.593 1.00 62.34 H new ATOM 0 HG21 VAL A 79 15.910 38.573 -38.964 1.00 20.14 H new ATOM 0 HG22 VAL A 79 16.825 39.914 -38.236 1.00 20.14 H new ATOM 0 HG23 VAL A 79 16.316 40.005 -39.939 1.00 20.14 H new ATOM 1162 N THR A 80 21.353 39.022 -39.687 1.00 24.24 N ATOM 1163 CA THR A 80 22.583 38.395 -40.133 1.00 43.31 C ATOM 1164 C THR A 80 23.308 37.793 -38.936 1.00 22.22 C ATOM 1165 O THR A 80 23.329 38.391 -37.861 1.00 20.53 O ATOM 1166 CB THR A 80 23.502 39.407 -40.851 1.00 4.42 C ATOM 1167 OG1 THR A 80 22.776 40.061 -41.898 1.00 23.43 O ATOM 1168 CG2 THR A 80 24.723 38.721 -41.442 1.00 23.11 C ATOM 0 H THR A 80 21.396 39.403 -38.742 1.00 24.24 H new ATOM 0 HA THR A 80 22.330 37.610 -40.845 1.00 43.31 H new ATOM 0 HB THR A 80 23.838 40.138 -40.115 1.00 4.42 H new ATOM 0 HG1 THR A 80 23.362 40.703 -42.350 1.00 23.43 H new ATOM 0 HG21 THR A 80 25.350 39.460 -41.941 1.00 23.11 H new ATOM 0 HG22 THR A 80 25.292 38.241 -40.646 1.00 23.11 H new ATOM 0 HG23 THR A 80 24.404 37.969 -42.164 1.00 23.11 H new ATOM 1176 N ASN A 81 23.884 36.611 -39.128 1.00 12.13 N ATOM 1177 CA ASN A 81 24.509 35.862 -38.037 1.00 13.33 C ATOM 1178 C ASN A 81 25.571 36.687 -37.307 1.00 53.52 C ATOM 1179 O ASN A 81 25.436 36.970 -36.120 1.00 72.31 O ATOM 1180 CB ASN A 81 25.153 34.568 -38.553 1.00 31.34 C ATOM 1181 CG ASN A 81 24.181 33.649 -39.275 1.00 23.22 C ATOM 1182 OD1 ASN A 81 22.974 33.680 -39.042 1.00 55.05 O ATOM 1183 ND2 ASN A 81 24.711 32.804 -40.148 1.00 51.02 N ATOM 0 H ASN A 81 23.932 36.146 -40.035 1.00 12.13 H new ATOM 0 HA ASN A 81 23.711 35.621 -37.335 1.00 13.33 H new ATOM 0 HB2 ASN A 81 25.969 34.823 -39.229 1.00 31.34 H new ATOM 0 HB3 ASN A 81 25.592 34.030 -37.712 1.00 31.34 H new ATOM 0 HD21 ASN A 81 24.113 32.150 -40.653 1.00 51.02 H new ATOM 0 HD22 ASN A 81 25.717 32.808 -40.315 1.00 51.02 H new ATOM 1190 N ASP A 82 26.623 37.072 -38.021 1.00 32.11 N ATOM 1191 CA ASP A 82 27.777 37.710 -37.387 1.00 24.13 C ATOM 1192 C ASP A 82 27.955 39.153 -37.845 1.00 61.51 C ATOM 1193 O ASP A 82 29.002 39.757 -37.610 1.00 75.51 O ATOM 1194 CB ASP A 82 29.055 36.927 -37.697 1.00 23.52 C ATOM 1195 CG ASP A 82 29.067 35.544 -37.085 1.00 72.21 C ATOM 1196 OD1 ASP A 82 29.396 35.422 -35.887 1.00 63.25 O ATOM 1197 OD2 ASP A 82 28.772 34.566 -37.806 1.00 30.43 O1- ATOM 0 H ASP A 82 26.703 36.956 -39.031 1.00 32.11 H new ATOM 0 HA ASP A 82 27.590 37.711 -36.313 1.00 24.13 H new ATOM 0 HB2 ASP A 82 29.168 36.840 -38.778 1.00 23.52 H new ATOM 0 HB3 ASP A 82 29.915 37.487 -37.331 1.00 23.52 H new ATOM 1202 N TYR A 83 26.941 39.712 -38.483 1.00 2.10 N ATOM 1203 CA TYR A 83 27.048 41.065 -39.009 1.00 61.22 C ATOM 1204 C TYR A 83 25.854 41.908 -38.591 1.00 25.13 C ATOM 1205 O TYR A 83 24.704 41.519 -38.796 1.00 35.42 O ATOM 1206 CB TYR A 83 27.168 41.048 -40.537 1.00 22.35 C ATOM 1207 CG TYR A 83 28.499 40.539 -41.042 1.00 63.34 C ATOM 1208 CD1 TYR A 83 28.761 39.180 -41.126 1.00 54.31 C ATOM 1209 CD2 TYR A 83 29.493 41.424 -41.427 1.00 61.31 C ATOM 1210 CE1 TYR A 83 29.981 38.715 -41.577 1.00 54.50 C ATOM 1211 CE2 TYR A 83 30.714 40.971 -41.882 1.00 43.02 C ATOM 1212 CZ TYR A 83 30.955 39.616 -41.953 1.00 0.23 C ATOM 1213 OH TYR A 83 32.174 39.161 -42.399 1.00 35.22 O ATOM 0 H TYR A 83 26.043 39.257 -38.649 1.00 2.10 H new ATOM 0 HA TYR A 83 27.951 41.511 -38.592 1.00 61.22 H new ATOM 0 HB2 TYR A 83 26.373 40.425 -40.947 1.00 22.35 H new ATOM 0 HB3 TYR A 83 27.009 42.058 -40.915 1.00 22.35 H new ATOM 0 HD1 TYR A 83 27.998 38.473 -40.834 1.00 54.31 H new ATOM 0 HD2 TYR A 83 29.309 42.487 -41.370 1.00 61.31 H new ATOM 0 HE1 TYR A 83 30.171 37.653 -41.635 1.00 54.50 H new ATOM 0 HE2 TYR A 83 31.477 41.675 -42.181 1.00 43.02 H new ATOM 0 HH TYR A 83 32.746 39.924 -42.624 1.00 35.22 H new ATOM 1223 N ILE A 84 26.140 43.054 -37.996 1.00 71.04 N ATOM 1224 CA ILE A 84 25.103 43.998 -37.603 1.00 33.43 C ATOM 1225 C ILE A 84 24.943 45.045 -38.698 1.00 24.33 C ATOM 1226 O ILE A 84 25.806 45.904 -38.869 1.00 13.30 O ATOM 1227 CB ILE A 84 25.426 44.712 -36.262 1.00 35.11 C ATOM 1228 CG1 ILE A 84 25.585 43.704 -35.116 1.00 70.51 C ATOM 1229 CG2 ILE A 84 24.340 45.725 -35.918 1.00 63.41 C ATOM 1230 CD1 ILE A 84 26.927 43.001 -35.088 1.00 21.15 C ATOM 0 H ILE A 84 27.088 43.356 -37.773 1.00 71.04 H new ATOM 0 HA ILE A 84 24.181 43.434 -37.461 1.00 33.43 H new ATOM 0 HB ILE A 84 26.373 45.236 -36.389 1.00 35.11 H new ATOM 0 HG12 ILE A 84 25.439 44.223 -34.168 1.00 70.51 H new ATOM 0 HG13 ILE A 84 24.797 42.955 -35.194 1.00 70.51 H new ATOM 0 HG21 ILE A 84 24.584 46.215 -34.975 1.00 63.41 H new ATOM 0 HG22 ILE A 84 24.276 46.472 -36.709 1.00 63.41 H new ATOM 0 HG23 ILE A 84 23.382 45.214 -35.823 1.00 63.41 H new ATOM 0 HD11 ILE A 84 26.957 42.307 -34.248 1.00 21.15 H new ATOM 0 HD12 ILE A 84 27.069 42.452 -36.019 1.00 21.15 H new ATOM 0 HD13 ILE A 84 27.722 43.739 -34.977 1.00 21.15 H new ATOM 1242 N VAL A 85 23.858 44.959 -39.447 1.00 45.21 N ATOM 1243 CA VAL A 85 23.659 45.835 -40.589 1.00 41.00 C ATOM 1244 C VAL A 85 22.251 46.430 -40.610 1.00 52.13 C ATOM 1245 O VAL A 85 21.248 45.710 -40.627 1.00 43.50 O ATOM 1246 CB VAL A 85 23.949 45.095 -41.919 1.00 62.43 C ATOM 1247 CG1 VAL A 85 23.139 43.808 -42.030 1.00 1.04 C ATOM 1248 CG2 VAL A 85 23.680 46.005 -43.105 1.00 64.33 C ATOM 0 H VAL A 85 23.102 44.293 -39.286 1.00 45.21 H new ATOM 0 HA VAL A 85 24.368 46.656 -40.487 1.00 41.00 H new ATOM 0 HB VAL A 85 25.004 44.821 -41.925 1.00 62.43 H new ATOM 0 HG11 VAL A 85 23.367 43.315 -42.975 1.00 1.04 H new ATOM 0 HG12 VAL A 85 23.395 43.145 -41.204 1.00 1.04 H new ATOM 0 HG13 VAL A 85 22.075 44.043 -41.991 1.00 1.04 H new ATOM 0 HG21 VAL A 85 23.889 45.468 -44.030 1.00 64.33 H new ATOM 0 HG22 VAL A 85 22.636 46.317 -43.095 1.00 64.33 H new ATOM 0 HG23 VAL A 85 24.322 46.884 -43.042 1.00 64.33 H new ATOM 1258 N ASP A 86 22.194 47.755 -40.598 1.00 31.13 N ATOM 1259 CA ASP A 86 20.935 48.485 -40.682 1.00 20.21 C ATOM 1260 C ASP A 86 20.857 49.183 -42.034 1.00 24.31 C ATOM 1261 O ASP A 86 21.839 49.779 -42.485 1.00 74.51 O ATOM 1262 CB ASP A 86 20.831 49.517 -39.547 1.00 4.42 C ATOM 1263 CG ASP A 86 19.486 50.227 -39.503 1.00 33.31 C ATOM 1264 OD1 ASP A 86 18.585 49.758 -38.773 1.00 21.44 O ATOM 1265 OD2 ASP A 86 19.325 51.265 -40.177 1.00 45.22 O1- ATOM 0 H ASP A 86 23.017 48.354 -40.530 1.00 31.13 H new ATOM 0 HA ASP A 86 20.106 47.785 -40.580 1.00 20.21 H new ATOM 0 HB2 ASP A 86 21.002 49.017 -38.594 1.00 4.42 H new ATOM 0 HB3 ASP A 86 21.622 50.258 -39.665 1.00 4.42 H new ATOM 1270 N ILE A 87 19.710 49.084 -42.694 1.00 70.13 N ATOM 1271 CA ILE A 87 19.524 49.737 -43.978 1.00 11.31 C ATOM 1272 C ILE A 87 19.128 51.188 -43.744 1.00 5.45 C ATOM 1273 O ILE A 87 17.948 51.548 -43.780 1.00 31.44 O ATOM 1274 CB ILE A 87 18.456 49.028 -44.847 1.00 73.15 C ATOM 1275 CG1 ILE A 87 18.758 47.527 -44.930 1.00 41.53 C ATOM 1276 CG2 ILE A 87 18.411 49.643 -46.244 1.00 33.35 C ATOM 1277 CD1 ILE A 87 17.705 46.730 -45.673 1.00 31.30 C ATOM 0 H ILE A 87 18.900 48.560 -42.362 1.00 70.13 H new ATOM 0 HA ILE A 87 20.466 49.684 -44.524 1.00 11.31 H new ATOM 0 HB ILE A 87 17.479 49.163 -44.382 1.00 73.15 H new ATOM 0 HG12 ILE A 87 19.720 47.386 -45.422 1.00 41.53 H new ATOM 0 HG13 ILE A 87 18.855 47.129 -43.920 1.00 41.53 H new ATOM 0 HG21 ILE A 87 17.655 49.133 -46.842 1.00 33.35 H new ATOM 0 HG22 ILE A 87 18.160 50.701 -46.168 1.00 33.35 H new ATOM 0 HG23 ILE A 87 19.385 49.534 -46.721 1.00 33.35 H new ATOM 0 HD11 ILE A 87 17.989 45.678 -45.689 1.00 31.30 H new ATOM 0 HD12 ILE A 87 16.744 46.838 -45.170 1.00 31.30 H new ATOM 0 HD13 ILE A 87 17.623 47.100 -46.695 1.00 31.30 H new ATOM 1289 N ALA A 88 20.123 52.009 -43.464 1.00 34.53 N ATOM 1290 CA ALA A 88 19.890 53.392 -43.112 1.00 21.21 C ATOM 1291 C ALA A 88 19.804 54.270 -44.349 1.00 23.43 C ATOM 1292 O ALA A 88 20.799 54.497 -45.037 1.00 54.14 O ATOM 1293 CB ALA A 88 20.988 53.889 -42.184 1.00 40.44 C ATOM 0 H ALA A 88 21.106 51.737 -43.475 1.00 34.53 H new ATOM 0 HA ALA A 88 18.933 53.452 -42.594 1.00 21.21 H new ATOM 0 HB1 ALA A 88 20.802 54.931 -41.926 1.00 40.44 H new ATOM 0 HB2 ALA A 88 20.997 53.286 -41.276 1.00 40.44 H new ATOM 0 HB3 ALA A 88 21.953 53.806 -42.685 1.00 40.44 H new ATOM 1299 N ASN A 89 18.606 54.749 -44.642 1.00 52.24 N ATOM 1300 CA ASN A 89 18.435 55.722 -45.705 1.00 21.13 C ATOM 1301 C ASN A 89 18.748 57.106 -45.163 1.00 22.12 C ATOM 1302 O ASN A 89 17.859 57.863 -44.777 1.00 62.21 O ATOM 1303 CB ASN A 89 17.020 55.676 -46.289 1.00 44.43 C ATOM 1304 CG ASN A 89 16.836 56.629 -47.460 1.00 51.24 C ATOM 1305 OD1 ASN A 89 16.432 57.777 -47.288 1.00 34.21 O ATOM 1306 ND2 ASN A 89 17.128 56.159 -48.662 1.00 52.10 N ATOM 0 H ASN A 89 17.746 54.482 -44.163 1.00 52.24 H new ATOM 0 HA ASN A 89 19.122 55.481 -46.516 1.00 21.13 H new ATOM 0 HB2 ASN A 89 16.799 54.660 -46.615 1.00 44.43 H new ATOM 0 HB3 ASN A 89 16.301 55.924 -45.508 1.00 44.43 H new ATOM 0 HD21 ASN A 89 17.020 56.755 -49.483 1.00 52.10 H new ATOM 0 HD22 ASN A 89 17.461 55.201 -48.768 1.00 52.10 H new ATOM 1313 N ARG A 90 20.029 57.405 -45.086 1.00 34.23 N ATOM 1314 CA ARG A 90 20.485 58.667 -44.542 1.00 61.53 C ATOM 1315 C ARG A 90 20.835 59.614 -45.672 1.00 14.51 C ATOM 1316 O ARG A 90 21.516 59.224 -46.624 1.00 31.12 O ATOM 1317 CB ARG A 90 21.699 58.454 -43.634 1.00 1.00 C ATOM 1318 CG ARG A 90 22.153 59.716 -42.918 1.00 75.44 C ATOM 1319 CD ARG A 90 23.341 59.436 -42.017 1.00 14.21 C ATOM 1320 NE ARG A 90 23.760 60.618 -41.257 1.00 45.22 N ATOM 1321 CZ ARG A 90 24.614 60.570 -40.232 1.00 45.51 C ATOM 1322 NH1 ARG A 90 25.134 59.407 -39.859 1.00 34.45 N1+ ATOM 1323 NH2 ARG A 90 24.955 61.679 -39.584 1.00 21.12 N ATOM 0 H ARG A 90 20.778 56.785 -45.396 1.00 34.23 H new ATOM 0 HA ARG A 90 19.684 59.103 -43.945 1.00 61.53 H new ATOM 0 HB2 ARG A 90 21.458 57.692 -42.892 1.00 1.00 H new ATOM 0 HB3 ARG A 90 22.525 58.068 -44.231 1.00 1.00 H new ATOM 0 HG2 ARG A 90 22.420 60.477 -43.651 1.00 75.44 H new ATOM 0 HG3 ARG A 90 21.331 60.118 -42.326 1.00 75.44 H new ATOM 0 HD2 ARG A 90 23.086 58.634 -41.324 1.00 14.21 H new ATOM 0 HD3 ARG A 90 24.176 59.082 -42.622 1.00 14.21 H new ATOM 0 HE ARG A 90 23.379 61.525 -41.526 1.00 45.22 H new ATOM 0 HH11 ARG A 90 24.881 58.553 -40.355 1.00 34.45 H new ATOM 0 HH12 ARG A 90 25.787 59.368 -39.076 1.00 34.45 H new ATOM 0 HH21 ARG A 90 24.563 62.577 -39.869 1.00 21.12 H new ATOM 0 HH22 ARG A 90 25.608 61.632 -38.802 1.00 21.12 H new ATOM 1337 N ASP A 91 20.324 60.837 -45.577 1.00 14.33 N ATOM 1338 CA ASP A 91 20.609 61.890 -46.551 1.00 71.02 C ATOM 1339 C ASP A 91 19.931 61.595 -47.895 1.00 43.52 C ATOM 1340 O ASP A 91 20.123 62.313 -48.875 1.00 61.51 O ATOM 1341 CB ASP A 91 22.126 62.059 -46.722 1.00 34.34 C ATOM 1342 CG ASP A 91 22.501 63.368 -47.377 1.00 2.00 C ATOM 1343 OD1 ASP A 91 22.841 63.365 -48.575 1.00 21.24 O ATOM 1344 OD2 ASP A 91 22.471 64.409 -46.683 1.00 32.31 O1- ATOM 0 H ASP A 91 19.701 61.128 -44.824 1.00 14.33 H new ATOM 0 HA ASP A 91 20.199 62.828 -46.175 1.00 71.02 H new ATOM 0 HB2 ASP A 91 22.606 61.996 -45.745 1.00 34.34 H new ATOM 0 HB3 ASP A 91 22.513 61.235 -47.321 1.00 34.34 H new ATOM 1349 N GLY A 92 19.128 60.538 -47.923 1.00 75.32 N ATOM 1350 CA GLY A 92 18.390 60.191 -49.122 1.00 62.34 C ATOM 1351 C GLY A 92 18.870 58.898 -49.753 1.00 52.21 C ATOM 1352 O GLY A 92 18.117 58.223 -50.454 1.00 23.30 O ATOM 0 H GLY A 92 18.975 59.912 -47.132 1.00 75.32 H new ATOM 0 HA2 GLY A 92 17.331 60.100 -48.878 1.00 62.34 H new ATOM 0 HA3 GLY A 92 18.482 61.000 -49.847 1.00 62.34 H new ATOM 1356 N GLN A 93 20.121 58.539 -49.491 1.00 55.42 N ATOM 1357 CA GLN A 93 20.716 57.352 -50.094 1.00 43.03 C ATOM 1358 C GLN A 93 20.539 56.138 -49.194 1.00 53.23 C ATOM 1359 O GLN A 93 20.633 56.244 -47.972 1.00 62.41 O ATOM 1360 CB GLN A 93 22.211 57.572 -50.346 1.00 32.14 C ATOM 1361 CG GLN A 93 22.532 58.710 -51.302 1.00 62.32 C ATOM 1362 CD GLN A 93 22.578 58.286 -52.761 1.00 5.43 C ATOM 1363 OE1 GLN A 93 23.335 58.853 -53.551 1.00 25.23 O ATOM 1364 NE2 GLN A 93 21.773 57.305 -53.145 1.00 33.20 N ATOM 0 H GLN A 93 20.743 59.052 -48.866 1.00 55.42 H new ATOM 0 HA GLN A 93 20.207 57.172 -51.041 1.00 43.03 H new ATOM 0 HB2 GLN A 93 22.702 57.767 -49.392 1.00 32.14 H new ATOM 0 HB3 GLN A 93 22.639 56.651 -50.742 1.00 32.14 H new ATOM 0 HG2 GLN A 93 21.784 59.494 -51.184 1.00 62.32 H new ATOM 0 HG3 GLN A 93 23.494 59.143 -51.028 1.00 62.32 H new ATOM 0 HE21 GLN A 93 21.158 56.855 -52.467 1.00 33.20 H new ATOM 0 HE22 GLN A 93 21.769 57.000 -54.118 1.00 33.20 H new ATOM 1373 N LEU A 94 20.272 54.988 -49.801 1.00 22.14 N ATOM 1374 CA LEU A 94 20.286 53.731 -49.066 1.00 50.31 C ATOM 1375 C LEU A 94 21.722 53.367 -48.725 1.00 43.43 C ATOM 1376 O LEU A 94 22.495 52.970 -49.599 1.00 52.24 O ATOM 1377 CB LEU A 94 19.644 52.590 -49.872 1.00 41.23 C ATOM 1378 CG LEU A 94 18.112 52.577 -49.928 1.00 41.02 C ATOM 1379 CD1 LEU A 94 17.519 52.688 -48.532 1.00 1.43 C ATOM 1380 CD2 LEU A 94 17.587 53.683 -50.832 1.00 42.11 C ATOM 0 H LEU A 94 20.045 54.900 -50.792 1.00 22.14 H new ATOM 0 HA LEU A 94 19.701 53.865 -48.156 1.00 50.31 H new ATOM 0 HB2 LEU A 94 20.023 52.637 -50.893 1.00 41.23 H new ATOM 0 HB3 LEU A 94 19.979 51.642 -49.450 1.00 41.23 H new ATOM 0 HG LEU A 94 17.800 51.623 -50.353 1.00 41.02 H new ATOM 0 HD11 LEU A 94 16.431 52.677 -48.597 1.00 1.43 H new ATOM 0 HD12 LEU A 94 17.855 51.847 -47.926 1.00 1.43 H new ATOM 0 HD13 LEU A 94 17.845 53.620 -48.071 1.00 1.43 H new ATOM 0 HD21 LEU A 94 16.498 53.650 -50.853 1.00 42.11 H new ATOM 0 HD22 LEU A 94 17.913 54.650 -50.450 1.00 42.11 H new ATOM 0 HD23 LEU A 94 17.973 53.542 -51.841 1.00 42.11 H new ATOM 1392 N GLN A 95 22.086 53.534 -47.470 1.00 22.34 N ATOM 1393 CA GLN A 95 23.441 53.259 -47.039 1.00 52.10 C ATOM 1394 C GLN A 95 23.486 52.007 -46.178 1.00 55.53 C ATOM 1395 O GLN A 95 22.962 51.979 -45.063 1.00 20.22 O ATOM 1396 CB GLN A 95 24.006 54.470 -46.295 1.00 54.30 C ATOM 1397 CG GLN A 95 25.389 54.249 -45.706 1.00 4.25 C ATOM 1398 CD GLN A 95 26.070 55.546 -45.300 1.00 5.40 C ATOM 1399 OE1 GLN A 95 26.797 55.592 -44.308 1.00 14.41 O ATOM 1400 NE2 GLN A 95 25.886 56.593 -46.094 1.00 5.31 N ATOM 0 H GLN A 95 21.463 53.859 -46.731 1.00 22.34 H new ATOM 0 HA GLN A 95 24.063 53.076 -47.915 1.00 52.10 H new ATOM 0 HB2 GLN A 95 24.046 55.317 -46.980 1.00 54.30 H new ATOM 0 HB3 GLN A 95 23.321 54.741 -45.492 1.00 54.30 H new ATOM 0 HG2 GLN A 95 25.308 53.598 -44.835 1.00 4.25 H new ATOM 0 HG3 GLN A 95 26.011 53.730 -46.435 1.00 4.25 H new ATOM 0 HE21 GLN A 95 25.275 56.515 -46.907 1.00 5.31 H new ATOM 0 HE22 GLN A 95 26.355 57.476 -45.891 1.00 5.31 H new ATOM 1409 N LEU A 96 24.095 50.964 -46.717 1.00 75.11 N ATOM 1410 CA LEU A 96 24.210 49.701 -46.017 1.00 53.33 C ATOM 1411 C LEU A 96 25.379 49.770 -45.046 1.00 12.32 C ATOM 1412 O LEU A 96 26.541 49.655 -45.444 1.00 51.50 O ATOM 1413 CB LEU A 96 24.416 48.567 -47.023 1.00 11.23 C ATOM 1414 CG LEU A 96 24.146 47.160 -46.493 1.00 54.15 C ATOM 1415 CD1 LEU A 96 22.660 46.969 -46.234 1.00 12.31 C ATOM 1416 CD2 LEU A 96 24.656 46.116 -47.473 1.00 11.35 C ATOM 0 H LEU A 96 24.520 50.971 -47.644 1.00 75.11 H new ATOM 0 HA LEU A 96 23.295 49.505 -45.459 1.00 53.33 H new ATOM 0 HB2 LEU A 96 23.767 48.744 -47.881 1.00 11.23 H new ATOM 0 HB3 LEU A 96 25.443 48.609 -47.386 1.00 11.23 H new ATOM 0 HG LEU A 96 24.680 47.035 -45.551 1.00 54.15 H new ATOM 0 HD11 LEU A 96 22.483 45.962 -45.857 1.00 12.31 H new ATOM 0 HD12 LEU A 96 22.323 47.697 -45.497 1.00 12.31 H new ATOM 0 HD13 LEU A 96 22.108 47.111 -47.163 1.00 12.31 H new ATOM 0 HD21 LEU A 96 24.456 45.119 -47.080 1.00 11.35 H new ATOM 0 HD22 LEU A 96 24.149 46.237 -48.430 1.00 11.35 H new ATOM 0 HD23 LEU A 96 25.730 46.242 -47.613 1.00 11.35 H new ATOM 1428 N ASN A 97 25.072 50.001 -43.781 1.00 24.34 N ATOM 1429 CA ASN A 97 26.104 50.141 -42.763 1.00 24.31 C ATOM 1430 C ASN A 97 26.358 48.805 -42.080 1.00 43.41 C ATOM 1431 O ASN A 97 25.532 48.326 -41.298 1.00 33.42 O ATOM 1432 CB ASN A 97 25.693 51.199 -41.735 1.00 32.34 C ATOM 1433 CG ASN A 97 26.832 51.608 -40.820 1.00 4.11 C ATOM 1434 OD1 ASN A 97 27.033 51.030 -39.753 1.00 11.22 O ATOM 1435 ND2 ASN A 97 27.583 52.620 -41.233 1.00 2.51 N ATOM 0 H ASN A 97 24.118 50.096 -43.433 1.00 24.34 H new ATOM 0 HA ASN A 97 27.028 50.464 -43.243 1.00 24.31 H new ATOM 0 HB2 ASN A 97 25.319 52.080 -42.257 1.00 32.34 H new ATOM 0 HB3 ASN A 97 24.871 50.813 -41.133 1.00 32.34 H new ATOM 0 HD21 ASN A 97 28.361 52.946 -40.659 1.00 2.51 H new ATOM 0 HD22 ASN A 97 27.383 53.073 -42.125 1.00 2.51 H new ATOM 1442 N VAL A 98 27.493 48.194 -42.392 1.00 45.14 N ATOM 1443 CA VAL A 98 27.821 46.880 -41.868 1.00 72.02 C ATOM 1444 C VAL A 98 28.803 46.972 -40.709 1.00 15.31 C ATOM 1445 O VAL A 98 29.947 47.395 -40.874 1.00 42.35 O ATOM 1446 CB VAL A 98 28.409 45.964 -42.962 1.00 44.14 C ATOM 1447 CG1 VAL A 98 28.935 44.668 -42.364 1.00 50.42 C ATOM 1448 CG2 VAL A 98 27.361 45.660 -44.015 1.00 24.02 C ATOM 0 H VAL A 98 28.203 48.591 -43.008 1.00 45.14 H new ATOM 0 HA VAL A 98 26.888 46.447 -41.509 1.00 72.02 H new ATOM 0 HB VAL A 98 29.242 46.490 -43.429 1.00 44.14 H new ATOM 0 HG11 VAL A 98 29.344 44.041 -43.157 1.00 50.42 H new ATOM 0 HG12 VAL A 98 29.718 44.893 -41.639 1.00 50.42 H new ATOM 0 HG13 VAL A 98 28.121 44.140 -41.867 1.00 50.42 H new ATOM 0 HG21 VAL A 98 27.791 45.013 -44.780 1.00 24.02 H new ATOM 0 HG22 VAL A 98 26.513 45.158 -43.550 1.00 24.02 H new ATOM 0 HG23 VAL A 98 27.025 46.590 -44.473 1.00 24.02 H new ATOM 1458 N THR A 99 28.340 46.583 -39.539 1.00 13.53 N ATOM 1459 CA THR A 99 29.191 46.469 -38.376 1.00 63.52 C ATOM 1460 C THR A 99 29.541 45.005 -38.143 1.00 34.14 C ATOM 1461 O THR A 99 28.694 44.210 -37.732 1.00 52.04 O ATOM 1462 CB THR A 99 28.497 47.046 -37.133 1.00 15.12 C ATOM 1463 OG1 THR A 99 28.168 48.425 -37.354 1.00 32.14 O ATOM 1464 CG2 THR A 99 29.380 46.920 -35.897 1.00 64.32 C ATOM 0 H THR A 99 27.365 46.338 -39.369 1.00 13.53 H new ATOM 0 HA THR A 99 30.103 47.039 -38.553 1.00 63.52 H new ATOM 0 HB THR A 99 27.585 46.474 -36.960 1.00 15.12 H new ATOM 0 HG1 THR A 99 27.724 48.787 -36.559 1.00 32.14 H new ATOM 0 HG21 THR A 99 28.860 47.337 -35.035 1.00 64.32 H new ATOM 0 HG22 THR A 99 29.601 45.869 -35.714 1.00 64.32 H new ATOM 0 HG23 THR A 99 30.311 47.464 -36.058 1.00 64.32 H new ATOM 1472 N ASP A 100 30.778 44.648 -38.452 1.00 61.11 N ATOM 1473 CA ASP A 100 31.238 43.271 -38.317 1.00 23.41 C ATOM 1474 C ASP A 100 31.515 42.924 -36.859 1.00 63.40 C ATOM 1475 O ASP A 100 31.954 43.769 -36.081 1.00 62.23 O ATOM 1476 CB ASP A 100 32.492 43.050 -39.165 1.00 14.41 C ATOM 1477 CG ASP A 100 33.087 41.669 -38.992 1.00 53.52 C ATOM 1478 OD1 ASP A 100 34.325 41.568 -38.914 1.00 4.12 O ATOM 1479 OD2 ASP A 100 32.325 40.687 -38.909 1.00 11.31 O1- ATOM 0 H ASP A 100 31.486 45.295 -38.800 1.00 61.11 H new ATOM 0 HA ASP A 100 30.447 42.611 -38.674 1.00 23.41 H new ATOM 0 HB2 ASP A 100 32.245 43.204 -40.215 1.00 14.41 H new ATOM 0 HB3 ASP A 100 33.240 43.798 -38.900 1.00 14.41 H new ATOM 1484 N ARG A 101 31.247 41.679 -36.503 1.00 1.22 N ATOM 1485 CA ARG A 101 31.469 41.197 -35.150 1.00 70.42 C ATOM 1486 C ARG A 101 32.738 40.344 -35.110 1.00 41.44 C ATOM 1487 O ARG A 101 33.406 40.245 -34.082 1.00 3.54 O ATOM 1488 CB ARG A 101 30.238 40.388 -34.700 1.00 70.04 C ATOM 1489 CG ARG A 101 30.150 40.092 -33.205 1.00 12.41 C ATOM 1490 CD ARG A 101 31.071 38.956 -32.785 1.00 13.24 C ATOM 1491 NE ARG A 101 30.893 37.760 -33.610 1.00 14.53 N ATOM 1492 CZ ARG A 101 31.828 36.821 -33.763 1.00 32.32 C ATOM 1493 NH1 ARG A 101 32.985 36.913 -33.119 1.00 20.33 N1+ ATOM 1494 NH2 ARG A 101 31.600 35.783 -34.556 1.00 52.25 N ATOM 0 H ARG A 101 30.871 40.977 -37.140 1.00 1.22 H new ATOM 0 HA ARG A 101 31.605 42.035 -34.467 1.00 70.42 H new ATOM 0 HB2 ARG A 101 29.341 40.931 -34.997 1.00 70.04 H new ATOM 0 HB3 ARG A 101 30.231 39.441 -35.240 1.00 70.04 H new ATOM 0 HG2 ARG A 101 30.406 40.991 -32.644 1.00 12.41 H new ATOM 0 HG3 ARG A 101 29.122 39.837 -32.947 1.00 12.41 H new ATOM 0 HD2 ARG A 101 32.107 39.289 -32.851 1.00 13.24 H new ATOM 0 HD3 ARG A 101 30.882 38.706 -31.741 1.00 13.24 H new ATOM 0 HE ARG A 101 30.004 37.638 -34.095 1.00 14.53 H new ATOM 0 HH11 ARG A 101 33.164 37.705 -32.502 1.00 20.33 H new ATOM 0 HH12 ARG A 101 33.695 36.191 -33.241 1.00 20.33 H new ATOM 0 HH21 ARG A 101 30.710 35.703 -35.048 1.00 52.25 H new ATOM 0 HH22 ARG A 101 32.314 35.064 -34.674 1.00 52.25 H new ATOM 1508 N LYS A 102 33.081 39.763 -36.251 1.00 25.22 N ATOM 1509 CA LYS A 102 34.182 38.812 -36.330 1.00 51.24 C ATOM 1510 C LYS A 102 35.534 39.522 -36.230 1.00 24.03 C ATOM 1511 O LYS A 102 36.341 39.217 -35.348 1.00 61.52 O ATOM 1512 CB LYS A 102 34.067 38.014 -37.632 1.00 63.24 C ATOM 1513 CG LYS A 102 32.728 37.303 -37.764 1.00 64.00 C ATOM 1514 CD LYS A 102 32.518 36.690 -39.141 1.00 42.35 C ATOM 1515 CE LYS A 102 33.399 35.472 -39.371 1.00 32.33 C ATOM 1516 NZ LYS A 102 33.012 34.752 -40.613 1.00 73.14 N1+ ATOM 0 H LYS A 102 32.610 39.935 -37.139 1.00 25.22 H new ATOM 0 HA LYS A 102 34.121 38.124 -35.486 1.00 51.24 H new ATOM 0 HB2 LYS A 102 34.203 38.686 -38.479 1.00 63.24 H new ATOM 0 HB3 LYS A 102 34.871 37.279 -37.676 1.00 63.24 H new ATOM 0 HG2 LYS A 102 32.662 36.520 -37.009 1.00 64.00 H new ATOM 0 HG3 LYS A 102 31.925 38.011 -37.560 1.00 64.00 H new ATOM 0 HD2 LYS A 102 31.472 36.405 -39.254 1.00 42.35 H new ATOM 0 HD3 LYS A 102 32.729 37.438 -39.905 1.00 42.35 H new ATOM 0 HE2 LYS A 102 34.442 35.782 -39.438 1.00 32.33 H new ATOM 0 HE3 LYS A 102 33.321 34.798 -38.518 1.00 32.33 H new ATOM 0 HZ1 LYS A 102 33.631 33.926 -40.743 1.00 73.14 H new ATOM 0 HZ2 LYS A 102 32.024 34.436 -40.538 1.00 73.14 H new ATOM 0 HZ3 LYS A 102 33.110 35.390 -41.429 1.00 73.14 H new ATOM 1530 N THR A 103 35.772 40.473 -37.117 1.00 32.11 N ATOM 1531 CA THR A 103 36.991 41.267 -37.074 1.00 65.25 C ATOM 1532 C THR A 103 36.676 42.697 -36.638 1.00 51.12 C ATOM 1533 O THR A 103 37.526 43.400 -36.087 1.00 72.12 O ATOM 1534 CB THR A 103 37.709 41.288 -38.443 1.00 3.51 C ATOM 1535 OG1 THR A 103 36.842 41.803 -39.468 1.00 71.14 O ATOM 1536 CG2 THR A 103 38.179 39.894 -38.832 1.00 15.44 C ATOM 0 H THR A 103 35.137 40.715 -37.877 1.00 32.11 H new ATOM 0 HA THR A 103 37.658 40.802 -36.349 1.00 65.25 H new ATOM 0 HB THR A 103 38.576 41.941 -38.348 1.00 3.51 H new ATOM 0 HG1 THR A 103 35.966 42.010 -39.081 1.00 71.14 H new ATOM 0 HG21 THR A 103 38.681 39.936 -39.799 1.00 15.44 H new ATOM 0 HG22 THR A 103 38.873 39.521 -38.079 1.00 15.44 H new ATOM 0 HG23 THR A 103 37.320 39.226 -38.898 1.00 15.44 H new ATOM 1544 N GLY A 104 35.442 43.115 -36.884 1.00 65.24 N ATOM 1545 CA GLY A 104 35.001 44.435 -36.480 1.00 42.41 C ATOM 1546 C GLY A 104 35.048 45.438 -37.614 1.00 24.42 C ATOM 1547 O GLY A 104 34.942 46.646 -37.393 1.00 13.23 O ATOM 0 H GLY A 104 34.733 42.558 -37.360 1.00 65.24 H new ATOM 0 HA2 GLY A 104 33.982 44.372 -36.098 1.00 42.41 H new ATOM 0 HA3 GLY A 104 35.628 44.788 -35.661 1.00 42.41 H new ATOM 1551 N GLN A 105 35.194 44.931 -38.830 1.00 51.35 N ATOM 1552 CA GLN A 105 35.233 45.778 -40.011 1.00 72.04 C ATOM 1553 C GLN A 105 33.903 46.485 -40.224 1.00 12.40 C ATOM 1554 O GLN A 105 32.895 45.864 -40.562 1.00 64.30 O ATOM 1555 CB GLN A 105 35.604 44.959 -41.248 1.00 71.44 C ATOM 1556 CG GLN A 105 37.102 44.786 -41.423 1.00 11.23 C ATOM 1557 CD GLN A 105 37.796 46.106 -41.685 1.00 44.43 C ATOM 1558 OE1 GLN A 105 37.222 47.012 -42.293 1.00 42.45 O ATOM 1559 NE2 GLN A 105 39.027 46.229 -41.224 1.00 23.32 N ATOM 0 H GLN A 105 35.288 43.934 -39.024 1.00 51.35 H new ATOM 0 HA GLN A 105 35.998 46.538 -39.852 1.00 72.04 H new ATOM 0 HB2 GLN A 105 35.137 43.977 -41.179 1.00 71.44 H new ATOM 0 HB3 GLN A 105 35.195 45.445 -42.134 1.00 71.44 H new ATOM 0 HG2 GLN A 105 37.521 44.327 -40.528 1.00 11.23 H new ATOM 0 HG3 GLN A 105 37.294 44.104 -42.251 1.00 11.23 H new ATOM 0 HE21 GLN A 105 39.465 45.454 -40.726 1.00 23.32 H new ATOM 0 HE22 GLN A 105 39.540 47.099 -41.366 1.00 23.32 H new ATOM 1568 N THR A 106 33.911 47.785 -40.001 1.00 25.35 N ATOM 1569 CA THR A 106 32.748 48.610 -40.239 1.00 43.25 C ATOM 1570 C THR A 106 32.760 49.083 -41.689 1.00 44.11 C ATOM 1571 O THR A 106 33.498 50.002 -42.047 1.00 33.22 O ATOM 1572 CB THR A 106 32.728 49.823 -39.290 1.00 61.32 C ATOM 1573 OG1 THR A 106 33.013 49.390 -37.952 1.00 1.35 O ATOM 1574 CG2 THR A 106 31.374 50.512 -39.318 1.00 5.13 C ATOM 0 H THR A 106 34.722 48.295 -39.651 1.00 25.35 H new ATOM 0 HA THR A 106 31.852 48.019 -40.049 1.00 43.25 H new ATOM 0 HB THR A 106 33.486 50.532 -39.622 1.00 61.32 H new ATOM 0 HG1 THR A 106 33.002 50.162 -37.349 1.00 1.35 H new ATOM 0 HG21 THR A 106 31.386 51.365 -38.640 1.00 5.13 H new ATOM 0 HG22 THR A 106 31.162 50.856 -40.330 1.00 5.13 H new ATOM 0 HG23 THR A 106 30.602 49.810 -39.004 1.00 5.13 H new ATOM 1582 N SER A 107 31.982 48.425 -42.527 1.00 30.10 N ATOM 1583 CA SER A 107 31.989 48.714 -43.949 1.00 71.15 C ATOM 1584 C SER A 107 30.764 49.538 -44.325 1.00 42.21 C ATOM 1585 O SER A 107 29.669 49.325 -43.796 1.00 53.14 O ATOM 1586 CB SER A 107 32.035 47.408 -44.746 1.00 62.32 C ATOM 1587 OG SER A 107 32.408 47.639 -46.092 1.00 35.01 O ATOM 0 H SER A 107 31.337 47.686 -42.248 1.00 30.10 H new ATOM 0 HA SER A 107 32.877 49.297 -44.191 1.00 71.15 H new ATOM 0 HB2 SER A 107 32.744 46.722 -44.283 1.00 62.32 H new ATOM 0 HB3 SER A 107 31.058 46.926 -44.715 1.00 62.32 H new ATOM 0 HG SER A 107 32.431 46.787 -46.576 1.00 35.01 H new ATOM 1593 N THR A 108 30.957 50.490 -45.221 1.00 61.34 N ATOM 1594 CA THR A 108 29.878 51.355 -45.657 1.00 45.01 C ATOM 1595 C THR A 108 29.600 51.161 -47.145 1.00 51.14 C ATOM 1596 O THR A 108 30.378 51.597 -47.995 1.00 24.12 O ATOM 1597 CB THR A 108 30.224 52.829 -45.376 1.00 51.54 C ATOM 1598 OG1 THR A 108 30.549 52.997 -43.988 1.00 42.23 O ATOM 1599 CG2 THR A 108 29.065 53.737 -45.742 1.00 12.31 C ATOM 0 H THR A 108 31.856 50.683 -45.662 1.00 61.34 H new ATOM 0 HA THR A 108 28.982 51.089 -45.097 1.00 45.01 H new ATOM 0 HB THR A 108 31.083 53.101 -45.989 1.00 51.54 H new ATOM 0 HG1 THR A 108 30.770 53.936 -43.815 1.00 42.23 H new ATOM 0 HG21 THR A 108 29.334 54.773 -45.534 1.00 12.31 H new ATOM 0 HG22 THR A 108 28.837 53.627 -46.802 1.00 12.31 H new ATOM 0 HG23 THR A 108 28.189 53.465 -45.153 1.00 12.31 H new ATOM 1607 N ILE A 109 28.495 50.492 -47.455 1.00 13.34 N ATOM 1608 CA ILE A 109 28.151 50.193 -48.838 1.00 55.11 C ATOM 1609 C ILE A 109 26.918 50.983 -49.271 1.00 14.15 C ATOM 1610 O ILE A 109 25.796 50.676 -48.867 1.00 1.14 O ATOM 1611 CB ILE A 109 27.880 48.680 -49.071 1.00 61.20 C ATOM 1612 CG1 ILE A 109 29.078 47.818 -48.642 1.00 73.01 C ATOM 1613 CG2 ILE A 109 27.551 48.419 -50.536 1.00 4.42 C ATOM 1614 CD1 ILE A 109 29.134 47.539 -47.156 1.00 12.41 C ATOM 0 H ILE A 109 27.824 50.148 -46.768 1.00 13.34 H new ATOM 0 HA ILE A 109 29.015 50.483 -49.436 1.00 55.11 H new ATOM 0 HB ILE A 109 27.025 48.401 -48.455 1.00 61.20 H new ATOM 0 HG12 ILE A 109 29.041 46.870 -49.178 1.00 73.01 H new ATOM 0 HG13 ILE A 109 29.999 48.318 -48.942 1.00 73.01 H new ATOM 0 HG21 ILE A 109 27.364 47.355 -50.683 1.00 4.42 H new ATOM 0 HG22 ILE A 109 26.663 48.986 -50.816 1.00 4.42 H new ATOM 0 HG23 ILE A 109 28.391 48.729 -51.158 1.00 4.42 H new ATOM 0 HD11 ILE A 109 30.007 46.925 -46.934 1.00 12.41 H new ATOM 0 HD12 ILE A 109 29.204 48.481 -46.611 1.00 12.41 H new ATOM 0 HD13 ILE A 109 28.231 47.010 -46.851 1.00 12.41 H new ATOM 1626 N GLN A 110 27.128 52.015 -50.071 1.00 42.43 N ATOM 1627 CA GLN A 110 26.027 52.775 -50.632 1.00 3.53 C ATOM 1628 C GLN A 110 25.286 51.960 -51.682 1.00 10.22 C ATOM 1629 O GLN A 110 25.830 51.003 -52.247 1.00 61.10 O ATOM 1630 CB GLN A 110 26.528 54.079 -51.244 1.00 51.25 C ATOM 1631 CG GLN A 110 26.867 55.125 -50.205 1.00 2.41 C ATOM 1632 CD GLN A 110 27.467 56.381 -50.805 1.00 4.14 C ATOM 1633 OE1 GLN A 110 27.145 56.764 -51.932 1.00 23.33 O ATOM 1634 NE2 GLN A 110 28.354 57.026 -50.065 1.00 32.10 N ATOM 0 H GLN A 110 28.053 52.345 -50.346 1.00 42.43 H new ATOM 0 HA GLN A 110 25.337 53.010 -49.822 1.00 3.53 H new ATOM 0 HB2 GLN A 110 27.412 53.875 -51.848 1.00 51.25 H new ATOM 0 HB3 GLN A 110 25.767 54.475 -51.916 1.00 51.25 H new ATOM 0 HG2 GLN A 110 25.964 55.388 -49.653 1.00 2.41 H new ATOM 0 HG3 GLN A 110 27.568 54.701 -49.486 1.00 2.41 H new ATOM 0 HE21 GLN A 110 28.594 56.677 -49.137 1.00 32.10 H new ATOM 0 HE22 GLN A 110 28.798 57.872 -50.422 1.00 32.10 H new ATOM 1643 N VAL A 111 24.044 52.342 -51.923 1.00 22.34 N ATOM 1644 CA VAL A 111 23.197 51.668 -52.890 1.00 74.24 C ATOM 1645 C VAL A 111 23.808 51.698 -54.297 1.00 21.00 C ATOM 1646 O VAL A 111 23.991 52.759 -54.900 1.00 75.11 O ATOM 1647 CB VAL A 111 21.778 52.280 -52.897 1.00 73.33 C ATOM 1648 CG1 VAL A 111 21.825 53.791 -53.063 1.00 13.23 C ATOM 1649 CG2 VAL A 111 20.928 51.647 -53.980 1.00 44.35 C ATOM 0 H VAL A 111 23.595 53.128 -51.454 1.00 22.34 H new ATOM 0 HA VAL A 111 23.122 50.624 -52.587 1.00 74.24 H new ATOM 0 HB VAL A 111 21.320 52.068 -51.931 1.00 73.33 H new ATOM 0 HG11 VAL A 111 20.810 54.189 -53.064 1.00 13.23 H new ATOM 0 HG12 VAL A 111 22.386 54.230 -52.238 1.00 13.23 H new ATOM 0 HG13 VAL A 111 22.312 54.038 -54.006 1.00 13.23 H new ATOM 0 HG21 VAL A 111 19.933 52.092 -53.968 1.00 44.35 H new ATOM 0 HG22 VAL A 111 21.390 51.818 -54.952 1.00 44.35 H new ATOM 0 HG23 VAL A 111 20.848 50.575 -53.800 1.00 44.35 H new