Browse entries in the PDBbind-CN Database
HEADER 5YVX_COMPLEX COMPND 5YVX_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 60 GLU SER ALA TRP VAL ARG CYS ASP ASP CYS PHE LYS TRP SEQRES 2 A 60 ARG ARG ILE PRO ALA SER VAL VAL GLY SER ILE ASP GLU SEQRES 3 A 60 SER SER ARG TRP ILE CYS MET ASN ASN SER ASP LYS ARG SEQRES 4 A 60 PHE ALA ASP CYS SER LYS SER GLN GLU MET SER ASN GLU SEQRES 5 A 60 GLU ILE ASN ALA GLU LEU GLY ILE HET ALA A 145 117 ATOM 1 N GLU A 862 15.668 115.360 19.432 1.00 48.80 N ATOM 2 CA GLU A 862 15.688 114.204 20.319 1.00 44.24 C ATOM 3 C GLU A 862 17.127 113.798 20.625 1.00 41.18 C ATOM 4 O GLU A 862 18.076 114.521 20.298 1.00 40.10 O ATOM 5 CB GLU A 862 14.920 113.035 19.696 1.00 43.94 C ATOM 6 HN3 GLU A 862 16.151 115.121 18.542 1.00 0.00 H ATOM 7 HN2 GLU A 862 16.156 116.156 19.890 1.00 0.00 H ATOM 8 HN1 GLU A 862 14.682 115.625 19.232 1.00 0.00 H ATOM 9 N SER A 863 17.284 112.644 21.262 1.00 39.00 N ATOM 10 CA SER A 863 18.609 112.103 21.525 1.00 32.38 C ATOM 11 C SER A 863 18.913 110.914 20.633 1.00 29.64 C ATOM 12 O SER A 863 18.019 110.168 20.226 1.00 31.71 O ATOM 13 CB SER A 863 18.749 111.685 22.989 1.00 31.32 C ATOM 14 OG SER A 863 18.790 112.806 23.849 1.00 39.09 O ATOM 15 HG SER A 863 19.564 113.375 23.611 1.00 0.00 H ATOM 16 H SER A 863 16.445 112.117 21.579 1.00 0.00 H ATOM 17 N ALA A 864 20.190 110.752 20.324 1.00 26.06 N ATOM 18 CA ALA A 864 20.679 109.520 19.740 1.00 24.36 C ATOM 19 C ALA A 864 21.785 109.021 20.661 1.00 22.88 C ATOM 20 O ALA A 864 22.139 109.692 21.635 1.00 25.02 O ATOM 21 CB ALA A 864 21.182 109.736 18.328 1.00 27.19 C ATOM 22 H ALA A 864 20.858 111.528 20.505 1.00 0.00 H ATOM 23 N TRP A 865 22.317 107.846 20.365 1.00 22.77 N ATOM 24 CA TRP A 865 23.353 107.268 21.207 1.00 19.90 C ATOM 25 C TRP A 865 24.510 106.781 20.352 1.00 18.94 C ATOM 26 O TRP A 865 24.309 106.233 19.265 1.00 22.83 O ATOM 27 CB TRP A 865 22.767 106.129 22.055 1.00 19.10 C ATOM 28 CG TRP A 865 21.731 106.623 23.012 1.00 22.75 C ATOM 29 CD1 TRP A 865 20.440 106.977 22.724 1.00 22.44 C ATOM 30 CD2 TRP A 865 21.907 106.861 24.417 1.00 20.51 C ATOM 31 NE1 TRP A 865 19.802 107.406 23.870 1.00 22.40 N ATOM 32 CE2 TRP A 865 20.679 107.345 24.916 1.00 20.81 C ATOM 33 CE3 TRP A 865 22.980 106.693 25.301 1.00 20.65 C ATOM 34 CZ2 TRP A 865 20.495 107.655 26.268 1.00 21.62 C ATOM 35 CZ3 TRP A 865 22.800 107.015 26.631 1.00 22.39 C ATOM 36 CH2 TRP A 865 21.559 107.491 27.104 1.00 22.61 C ATOM 37 HE1 TRP A 865 18.814 107.724 23.928 1.00 0.00 H ATOM 38 H TRP A 865 21.991 107.331 19.522 1.00 0.00 H ATOM 39 N VAL A 866 25.730 107.024 20.825 1.00 17.83 N ATOM 40 CA VAL A 866 26.911 106.557 20.110 1.00 19.06 C ATOM 41 C VAL A 866 27.771 105.699 21.053 1.00 18.81 C ATOM 42 O VAL A 866 27.906 106.008 22.238 1.00 19.34 O ATOM 43 CB VAL A 866 27.735 107.747 19.524 1.00 19.06 C ATOM 44 CG1 VAL A 866 28.104 108.762 20.604 1.00 19.51 C ATOM 45 CG2 VAL A 866 28.990 107.239 18.786 1.00 19.10 C ATOM 46 H VAL A 866 25.842 107.552 21.714 1.00 0.00 H ATOM 47 N ARG A 867 28.335 104.621 20.510 1.00 18.70 N ATOM 48 CA ARG A 867 29.213 103.725 21.265 1.00 19.61 C ATOM 49 C ARG A 867 30.661 104.213 21.204 1.00 19.28 C ATOM 50 O ARG A 867 31.215 104.394 20.124 1.00 19.49 O ATOM 51 CB ARG A 867 29.111 102.288 20.717 1.00 19.39 C ATOM 52 CG ARG A 867 29.968 101.232 21.452 1.00 21.67 C ATOM 53 CD ARG A 867 30.111 99.924 20.627 1.00 21.88 C ATOM 54 NE ARG A 867 31.029 100.063 19.492 1.00 26.47 N ATOM 55 CZ ARG A 867 31.506 99.049 18.775 1.00 30.41 C ATOM 56 NH1 ARG A 867 31.159 97.801 19.066 1.00 31.71 N ATOM 57 NH2 ARG A 867 32.340 99.278 17.766 1.00 36.08 N ATOM 58 HE ARG A 867 31.329 101.023 19.229 1.00 0.00 H ATOM 59 HH12 ARG A 867 31.535 97.012 18.502 1.00 0.00 H ATOM 60 HH11 ARG A 867 30.511 97.612 19.858 1.00 0.00 H ATOM 61 HH22 ARG A 867 32.711 98.483 17.207 1.00 0.00 H ATOM 62 HH21 ARG A 867 32.622 100.252 17.535 1.00 0.00 H ATOM 63 H ARG A 867 28.144 104.407 19.510 1.00 0.00 H ATOM 64 N CYS A 868 31.279 104.430 22.362 1.00 16.31 N ATOM 65 CA CYS A 868 32.700 104.768 22.389 1.00 17.24 C ATOM 66 C CYS A 868 33.550 103.649 21.795 1.00 18.93 C ATOM 67 O CYS A 868 33.433 102.487 22.200 1.00 18.84 O ATOM 68 CB CYS A 868 33.149 105.046 23.828 1.00 16.07 C ATOM 69 SG CYS A 868 34.905 105.375 24.016 1.00 16.73 S ATOM 70 H CYS A 868 30.747 104.359 23.253 1.00 0.00 H ATOM 71 N ASP A 869 34.418 104.008 20.852 1.00 18.78 N ATOM 72 CA ASP A 869 35.306 103.032 20.219 1.00 18.08 C ATOM 73 C ASP A 869 36.472 102.609 21.114 1.00 20.28 C ATOM 74 O ASP A 869 37.209 101.695 20.763 1.00 22.58 O ATOM 75 CB ASP A 869 35.842 103.584 18.901 1.00 21.91 C ATOM 76 CG ASP A 869 34.824 103.480 17.783 1.00 22.98 C ATOM 77 OD1 ASP A 869 34.197 102.410 17.646 1.00 23.64 O ATOM 78 OD2 ASP A 869 34.636 104.472 17.057 1.00 24.04 O ATOM 79 H ASP A 869 34.466 105.005 20.558 1.00 0.00 H ATOM 80 N ASP A 870 36.640 103.261 22.262 1.00 17.45 N ATOM 81 CA ASP A 870 37.690 102.862 23.190 1.00 18.49 C ATOM 82 C ASP A 870 37.177 101.982 24.328 1.00 17.84 C ATOM 83 O ASP A 870 37.845 101.010 24.691 1.00 19.59 O ATOM 84 CB ASP A 870 38.395 104.079 23.791 1.00 18.75 C ATOM 85 CG ASP A 870 39.571 104.555 22.949 1.00 20.40 C ATOM 86 OD1 ASP A 870 39.917 103.886 21.955 1.00 21.05 O ATOM 87 OD2 ASP A 870 40.139 105.605 23.300 1.00 21.91 O ATOM 88 H ASP A 870 36.018 104.060 22.498 1.00 0.00 H ATOM 89 N CYS A 871 36.019 102.322 24.906 1.00 16.02 N ATOM 90 CA CYS A 871 35.484 101.570 26.063 1.00 19.08 C ATOM 91 C CYS A 871 34.119 100.907 25.830 1.00 19.79 C ATOM 92 O CYS A 871 33.653 100.139 26.665 1.00 19.67 O ATOM 93 CB CYS A 871 35.380 102.484 27.294 1.00 18.39 C ATOM 94 SG CYS A 871 33.936 103.617 27.273 1.00 18.26 S ATOM 95 H CYS A 871 35.483 103.132 24.534 1.00 0.00 H ATOM 96 N PHE A 872 33.475 101.252 24.719 1.00 17.37 N ATOM 97 CA PHE A 872 32.236 100.638 24.240 1.00 18.80 C ATOM 98 C PHE A 872 31.010 100.911 25.109 1.00 18.44 C ATOM 99 O PHE A 872 29.971 100.284 24.930 1.00 20.39 O ATOM 100 CB PHE A 872 32.501 99.145 23.996 1.00 21.55 C ATOM 101 CG PHE A 872 33.678 98.950 23.084 1.00 23.72 C ATOM 102 CD1 PHE A 872 33.553 99.198 21.720 1.00 22.60 C ATOM 103 CD2 PHE A 872 34.946 98.690 23.601 1.00 25.40 C ATOM 104 CE1 PHE A 872 34.650 99.089 20.877 1.00 27.09 C ATOM 105 CE2 PHE A 872 36.052 98.595 22.758 1.00 24.80 C ATOM 106 CZ PHE A 872 35.902 98.798 21.400 1.00 24.14 C ATOM 107 H PHE A 872 33.884 102.018 24.146 1.00 0.00 H ATOM 108 N LYS A 873 31.101 101.924 25.965 1.00 15.75 N ATOM 109 CA LYS A 873 29.904 102.480 26.593 1.00 17.34 C ATOM 110 C LYS A 873 29.105 103.329 25.601 1.00 18.70 C ATOM 111 O LYS A 873 29.663 103.924 24.661 1.00 17.98 O ATOM 112 CB LYS A 873 30.262 103.329 27.812 1.00 17.36 C ATOM 113 CG LYS A 873 30.931 102.545 28.952 1.00 20.02 C ATOM 114 CD LYS A 873 31.316 103.516 30.069 1.00 21.45 C ATOM 115 CE LYS A 873 32.194 102.872 31.130 1.00 24.05 C ATOM 116 NZ LYS A 873 33.560 102.610 30.607 1.00 24.80 N ATOM 117 HZ1 LYS A 873 33.500 101.969 29.790 1.00 0.00 H ATOM 118 HZ2 LYS A 873 33.996 103.508 30.314 1.00 0.00 H ATOM 119 HZ3 LYS A 873 34.137 102.170 31.352 1.00 0.00 H ATOM 120 H LYS A 873 32.034 102.325 26.190 1.00 0.00 H ATOM 121 N TRP A 874 27.799 103.386 25.831 1.00 17.85 N ATOM 122 CA TRP A 874 26.900 104.171 24.994 1.00 17.30 C ATOM 123 C TRP A 874 26.712 105.558 25.578 1.00 18.37 C ATOM 124 O TRP A 874 26.434 105.695 26.768 1.00 18.79 O ATOM 125 CB TRP A 874 25.551 103.479 24.854 1.00 18.31 C ATOM 126 CG TRP A 874 25.633 102.181 24.134 1.00 18.09 C ATOM 127 CD1 TRP A 874 25.783 100.936 24.686 1.00 18.05 C ATOM 128 CD2 TRP A 874 25.573 101.985 22.715 1.00 19.12 C ATOM 129 NE1 TRP A 874 25.821 99.985 23.699 1.00 18.42 N ATOM 130 CE2 TRP A 874 25.691 100.601 22.479 1.00 19.36 C ATOM 131 CE3 TRP A 874 25.429 102.849 21.618 1.00 20.45 C ATOM 132 CZ2 TRP A 874 25.667 100.056 21.199 1.00 19.25 C ATOM 133 CZ3 TRP A 874 25.409 102.298 20.344 1.00 21.21 C ATOM 134 CH2 TRP A 874 25.533 100.918 20.149 1.00 22.04 C ATOM 135 HE1 TRP A 874 25.931 98.962 23.850 1.00 0.00 H ATOM 136 H TRP A 874 27.405 102.854 26.633 1.00 0.00 H ATOM 137 N ARG A 875 26.862 106.574 24.730 1.00 16.75 N ATOM 138 CA ARG A 875 26.774 107.971 25.152 1.00 18.10 C ATOM 139 C ARG A 875 25.663 108.729 24.429 1.00 19.09 C ATOM 140 O ARG A 875 25.526 108.647 23.206 1.00 19.80 O ATOM 141 CB ARG A 875 28.101 108.688 24.912 1.00 16.99 C ATOM 142 CG ARG A 875 29.281 108.085 25.624 1.00 16.16 C ATOM 143 CD ARG A 875 29.043 107.947 27.120 1.00 17.24 C ATOM 144 NE ARG A 875 30.302 107.654 27.788 1.00 16.28 N ATOM 145 CZ ARG A 875 30.398 107.301 29.063 1.00 17.91 C ATOM 146 NH1 ARG A 875 29.289 107.175 29.783 1.00 17.42 N ATOM 147 NH2 ARG A 875 31.588 107.055 29.596 1.00 19.15 N ATOM 148 HE ARG A 875 31.179 107.726 27.233 1.00 0.00 H ATOM 149 HH12 ARG A 875 29.347 106.899 30.784 1.00 0.00 H ATOM 150 HH11 ARG A 875 28.362 107.352 29.346 1.00 0.00 H ATOM 151 HH22 ARG A 875 31.663 106.778 30.596 1.00 0.00 H ATOM 152 HH21 ARG A 875 32.446 107.139 29.014 1.00 0.00 H ATOM 153 H ARG A 875 27.049 106.365 23.728 1.00 0.00 H ATOM 154 N ARG A 876 24.893 109.484 25.202 1.00 18.31 N ATOM 155 CA ARG A 876 23.809 110.299 24.666 1.00 20.96 C ATOM 156 C ARG A 876 24.379 111.501 23.926 1.00 22.75 C ATOM 157 O ARG A 876 25.208 112.224 24.467 1.00 22.61 O ATOM 158 CB ARG A 876 22.885 110.773 25.798 1.00 20.55 C ATOM 159 CG ARG A 876 21.654 111.534 25.309 1.00 24.93 C ATOM 160 CD ARG A 876 20.983 112.291 26.447 1.00 27.05 C ATOM 161 NE ARG A 876 20.487 111.403 27.499 1.00 28.05 N ATOM 162 CZ ARG A 876 19.291 110.818 27.479 1.00 27.50 C ATOM 163 NH1 ARG A 876 18.468 111.024 26.455 1.00 29.04 N ATOM 164 NH2 ARG A 876 18.922 110.027 28.481 1.00 26.89 N ATOM 165 HE ARG A 876 21.107 111.217 28.313 1.00 0.00 H ATOM 166 HH12 ARG A 876 17.534 110.567 26.439 1.00 0.00 H ATOM 167 HH11 ARG A 876 18.759 111.642 25.670 1.00 0.00 H ATOM 168 HH22 ARG A 876 17.988 109.570 28.466 1.00 0.00 H ATOM 169 HH21 ARG A 876 19.567 109.865 29.280 1.00 0.00 H ATOM 170 H ARG A 876 25.069 109.495 26.227 1.00 0.00 H ATOM 171 N ILE A 877 23.935 111.696 22.694 1.00 22.52 N ATOM 172 CA ILE A 877 24.340 112.854 21.893 1.00 25.56 C ATOM 173 C ILE A 877 23.111 113.417 21.181 1.00 27.32 C ATOM 174 O ILE A 877 22.122 112.710 20.994 1.00 26.60 O ATOM 175 CB ILE A 877 25.425 112.493 20.863 1.00 24.17 C ATOM 176 CG1 ILE A 877 24.943 111.366 19.953 1.00 24.76 C ATOM 177 CG2 ILE A 877 26.714 112.105 21.562 1.00 22.09 C ATOM 178 CD1 ILE A 877 25.834 111.156 18.742 1.00 33.38 C ATOM 179 H ILE A 877 23.277 111.004 22.281 1.00 0.00 H ATOM 180 N PRO A 878 23.163 114.701 20.791 1.00 27.50 N ATOM 181 CA PRO A 878 22.021 115.287 20.079 1.00 28.86 C ATOM 182 C PRO A 878 21.743 114.600 18.744 1.00 28.19 C ATOM 183 O PRO A 878 22.675 114.289 18.011 1.00 30.46 O ATOM 184 CB PRO A 878 22.456 116.741 19.866 1.00 30.51 C ATOM 185 CG PRO A 878 23.424 117.006 20.976 1.00 32.80 C ATOM 186 CD PRO A 878 24.187 115.711 21.113 1.00 28.19 C ATOM 187 N ALA A 879 20.474 114.374 18.427 1.00 29.08 N ATOM 188 CA ALA A 879 20.109 113.684 17.196 1.00 32.66 C ATOM 189 C ALA A 879 20.484 114.511 15.962 1.00 35.25 C ATOM 190 O ALA A 879 20.607 113.977 14.862 1.00 35.95 O ATOM 191 CB ALA A 879 18.618 113.355 17.187 1.00 35.80 C ATOM 192 H ALA A 879 19.724 114.696 19.071 1.00 0.00 H ATOM 193 N SER A 880 20.690 115.810 16.162 1.00 33.56 N ATOM 194 CA SER A 880 21.092 116.700 15.075 1.00 34.34 C ATOM 195 C SER A 880 22.538 116.490 14.636 1.00 36.79 C ATOM 196 O SER A 880 22.981 117.104 13.670 1.00 34.15 O ATOM 197 CB SER A 880 20.891 118.159 15.485 1.00 31.49 C ATOM 198 OG SER A 880 21.669 118.481 16.626 1.00 35.44 O ATOM 199 HG SER A 880 21.520 119.429 16.869 1.00 0.00 H ATOM 200 H SER A 880 20.562 116.202 17.117 1.00 0.00 H ATOM 201 N VAL A 881 23.274 115.631 15.343 1.00 37.75 N ATOM 202 CA VAL A 881 24.682 115.370 15.016 1.00 37.08 C ATOM 203 C VAL A 881 24.935 113.897 14.618 1.00 36.50 C ATOM 204 O VAL A 881 25.862 113.590 13.865 1.00 33.71 O ATOM 205 CB VAL A 881 25.596 115.764 16.206 1.00 39.42 C ATOM 206 CG1 VAL A 881 27.058 115.424 15.925 1.00 42.68 C ATOM 207 CG2 VAL A 881 25.458 117.248 16.504 1.00 40.82 C ATOM 208 H VAL A 881 22.840 115.133 16.146 1.00 0.00 H ATOM 209 N VAL A 882 24.085 112.990 15.085 1.00 39.07 N ATOM 210 CA VAL A 882 24.330 111.553 14.910 1.00 33.40 C ATOM 211 C VAL A 882 24.526 111.099 13.451 1.00 38.06 C ATOM 212 O VAL A 882 25.266 110.147 13.188 1.00 35.86 O ATOM 213 CB VAL A 882 23.181 110.721 15.534 1.00 38.01 C ATOM 214 CG1 VAL A 882 21.871 110.955 14.796 1.00 39.46 C ATOM 215 CG2 VAL A 882 23.537 109.232 15.555 1.00 36.56 C ATOM 216 H VAL A 882 23.229 113.304 15.585 1.00 0.00 H ATOM 217 N GLY A 883 23.895 111.786 12.500 1.00 39.13 N ATOM 218 CA GLY A 883 23.992 111.388 11.103 1.00 35.08 C ATOM 219 C GLY A 883 25.400 111.517 10.540 1.00 33.45 C ATOM 220 O GLY A 883 25.752 110.869 9.555 1.00 36.76 O ATOM 221 H GLY A 883 23.326 112.617 12.759 1.00 0.00 H ATOM 222 N SER A 884 26.209 112.356 11.176 1.00 29.62 N ATOM 223 CA SER A 884 27.579 112.596 10.740 1.00 29.53 C ATOM 224 C SER A 884 28.554 111.553 11.277 1.00 30.49 C ATOM 225 O SER A 884 29.711 111.496 10.855 1.00 27.98 O ATOM 226 CB SER A 884 28.028 113.984 11.175 1.00 30.55 C ATOM 227 OG SER A 884 27.854 114.151 12.570 1.00 31.71 O ATOM 228 HG SER A 884 26.897 114.037 12.798 1.00 0.00 H ATOM 229 H SER A 884 25.853 112.859 12.014 1.00 0.00 H ATOM 230 N ILE A 885 28.081 110.737 12.214 1.00 25.90 N ATOM 231 CA ILE A 885 28.893 109.678 12.796 1.00 26.47 C ATOM 232 C ILE A 885 28.509 108.355 12.161 1.00 31.19 C ATOM 233 O ILE A 885 27.559 107.712 12.602 1.00 34.59 O ATOM 234 CB ILE A 885 28.694 109.578 14.322 1.00 27.71 C ATOM 235 CG1 ILE A 885 28.865 110.946 14.976 1.00 27.02 C ATOM 236 CG2 ILE A 885 29.642 108.543 14.926 1.00 29.70 C ATOM 237 CD1 ILE A 885 28.588 110.950 16.479 1.00 25.67 C ATOM 238 H ILE A 885 27.101 110.859 12.541 1.00 0.00 H ATOM 239 N ASP A 886 29.227 107.951 11.125 1.00 33.45 N ATOM 240 CA ASP A 886 28.875 106.715 10.434 1.00 37.09 C ATOM 241 C ASP A 886 29.772 105.597 10.960 1.00 37.16 C ATOM 242 O ASP A 886 30.555 105.819 11.880 1.00 36.40 O ATOM 243 CB ASP A 886 28.977 106.887 8.910 1.00 33.29 C ATOM 244 CG ASP A 886 30.364 107.285 8.440 1.00 35.16 C ATOM 245 OD1 ASP A 886 31.357 106.954 9.114 1.00 36.64 O ATOM 246 OD2 ASP A 886 30.453 107.930 7.370 1.00 31.94 O ATOM 247 H ASP A 886 30.041 108.514 10.804 1.00 0.00 H ATOM 248 N GLU A 887 29.689 104.403 10.392 1.00 40.17 N ATOM 249 CA GLU A 887 30.364 103.295 11.043 1.00 38.18 C ATOM 250 C GLU A 887 31.882 103.264 10.791 1.00 38.41 C ATOM 251 O GLU A 887 32.591 102.476 11.417 1.00 40.35 O ATOM 252 CB GLU A 887 29.707 101.977 10.638 1.00 45.34 C ATOM 253 CG GLU A 887 29.840 100.928 11.736 1.00 52.64 C ATOM 254 CD GLU A 887 28.674 99.973 11.783 1.00 61.33 C ATOM 255 OE1 GLU A 887 28.714 98.916 11.115 1.00 63.46 O ATOM 256 OE2 GLU A 887 27.700 100.295 12.498 1.00 61.48 O ATOM 257 H GLU A 887 29.158 104.264 9.509 1.00 0.00 H ATOM 258 N SER A 888 32.397 104.138 9.930 1.00 35.18 N ATOM 259 CA SER A 888 33.842 104.198 9.735 1.00 37.29 C ATOM 260 C SER A 888 34.503 105.157 10.708 1.00 35.95 C ATOM 261 O SER A 888 35.713 105.111 10.911 1.00 35.13 O ATOM 262 CB SER A 888 34.174 104.623 8.312 1.00 41.23 C ATOM 263 OG SER A 888 33.927 106.009 8.131 1.00 39.55 O ATOM 264 HG SER A 888 32.971 106.198 8.307 1.00 0.00 H ATOM 265 H SER A 888 31.772 104.776 9.398 1.00 0.00 H ATOM 266 N SER A 889 33.695 106.039 11.288 1.00 34.89 N ATOM 267 CA SER A 889 34.187 107.101 12.152 1.00 33.80 C ATOM 268 C SER A 889 34.654 106.576 13.503 1.00 28.52 C ATOM 269 O SER A 889 33.974 105.766 14.123 1.00 35.79 O ATOM 270 CB SER A 889 33.090 108.139 12.382 1.00 31.69 C ATOM 271 OG SER A 889 32.595 108.642 11.158 1.00 42.32 O ATOM 272 HG SER A 889 33.333 109.069 10.655 1.00 0.00 H ATOM 273 H SER A 889 32.672 105.967 11.118 1.00 0.00 H ATOM 274 N ARG A 890 35.808 107.045 13.958 1.00 27.57 N ATOM 275 CA ARG A 890 36.217 106.782 15.330 1.00 25.10 C ATOM 276 C ARG A 890 35.605 107.857 16.217 1.00 23.55 C ATOM 277 O ARG A 890 35.778 109.037 15.959 1.00 23.35 O ATOM 278 CB ARG A 890 37.737 106.767 15.459 1.00 26.91 C ATOM 279 CG ARG A 890 38.264 106.683 16.878 1.00 27.27 C ATOM 280 CD ARG A 890 39.762 106.392 16.890 1.00 30.93 C ATOM 281 NE ARG A 890 40.379 106.746 18.163 1.00 30.30 N ATOM 282 CZ ARG A 890 40.366 105.984 19.251 1.00 26.44 C ATOM 283 NH1 ARG A 890 39.758 104.792 19.239 1.00 28.82 N ATOM 284 NH2 ARG A 890 40.964 106.419 20.358 1.00 27.11 N ATOM 285 HE ARG A 890 40.865 107.663 18.224 1.00 0.00 H ATOM 286 HH12 ARG A 890 39.753 104.202 20.096 1.00 0.00 H ATOM 287 HH11 ARG A 890 39.291 104.455 18.373 1.00 0.00 H ATOM 288 HH22 ARG A 890 40.961 105.831 21.216 1.00 0.00 H ATOM 289 HH21 ARG A 890 41.435 107.346 20.365 1.00 0.00 H ATOM 290 H ARG A 890 36.423 107.603 13.332 1.00 0.00 H ATOM 291 N TRP A 891 34.887 107.438 17.252 1.00 21.47 N ATOM 292 CA TRP A 891 34.314 108.360 18.221 1.00 18.75 C ATOM 293 C TRP A 891 34.597 107.804 19.605 1.00 18.80 C ATOM 294 O TRP A 891 34.379 106.613 19.820 1.00 17.74 O ATOM 295 CB TRP A 891 32.803 108.505 18.023 1.00 18.56 C ATOM 296 CG TRP A 891 32.180 109.587 18.869 1.00 18.94 C ATOM 297 CD1 TRP A 891 31.891 110.870 18.477 1.00 16.70 C ATOM 298 CD2 TRP A 891 31.768 109.485 20.243 1.00 17.61 C ATOM 299 NE1 TRP A 891 31.333 111.568 19.518 1.00 18.22 N ATOM 300 CE2 TRP A 891 31.254 110.749 20.618 1.00 17.43 C ATOM 301 CE3 TRP A 891 31.797 108.459 21.194 1.00 18.51 C ATOM 302 CZ2 TRP A 891 30.748 111.006 21.898 1.00 17.29 C ATOM 303 CZ3 TRP A 891 31.306 108.729 22.484 1.00 17.10 C ATOM 304 CH2 TRP A 891 30.787 109.987 22.815 1.00 16.19 C ATOM 305 HE1 TRP A 891 31.020 112.559 19.480 1.00 0.00 H ATOM 306 H TRP A 891 34.729 106.417 17.374 1.00 0.00 H ATOM 307 N ILE A 892 35.074 108.650 20.521 1.00 16.93 N ATOM 308 CA ILE A 892 35.343 108.223 21.895 1.00 16.95 C ATOM 309 C ILE A 892 34.732 109.192 22.896 1.00 16.20 C ATOM 310 O ILE A 892 34.360 110.307 22.547 1.00 16.96 O ATOM 311 CB ILE A 892 36.863 108.091 22.186 1.00 17.46 C ATOM 312 CG1 ILE A 892 37.576 109.431 21.985 1.00 18.55 C ATOM 313 CG2 ILE A 892 37.486 107.034 21.283 1.00 19.24 C ATOM 314 CD1 ILE A 892 39.063 109.434 22.419 1.00 20.80 C ATOM 315 H ILE A 892 35.259 109.637 20.252 1.00 0.00 H ATOM 316 N CYS A 893 34.636 108.753 24.147 1.00 17.52 N ATOM 317 CA CYS A 893 33.989 109.528 25.202 1.00 18.92 C ATOM 318 C CYS A 893 34.459 110.978 25.260 1.00 17.76 C ATOM 319 O CYS A 893 33.639 111.889 25.377 1.00 18.70 O ATOM 320 CB CYS A 893 34.218 108.860 26.561 1.00 17.22 C ATOM 321 SG CYS A 893 33.343 107.271 26.739 1.00 18.20 S ATOM 322 H CYS A 893 35.037 107.823 24.383 1.00 0.00 H ATOM 323 N MET A 894 35.760 111.203 25.143 1.00 20.03 N ATOM 324 CA MET A 894 36.270 112.569 25.253 1.00 22.76 C ATOM 325 C MET A 894 35.739 113.509 24.165 1.00 24.24 C ATOM 326 O MET A 894 35.784 114.733 24.331 1.00 22.34 O ATOM 327 CB MET A 894 37.794 112.571 25.237 1.00 22.86 C ATOM 328 CG MET A 894 38.416 112.275 26.605 1.00 30.88 C ATOM 329 SD MET A 894 40.201 112.493 26.566 1.00 43.02 S ATOM 330 CE MET A 894 40.413 113.029 24.863 1.00 32.32 C ATOM 331 H MET A 894 36.414 110.413 24.974 1.00 0.00 H ATOM 332 N ASN A 895 35.237 112.945 23.063 1.00 19.33 N ATOM 333 CA ASN A 895 34.618 113.752 22.008 1.00 19.22 C ATOM 334 C ASN A 895 33.228 114.278 22.381 1.00 20.40 C ATOM 335 O ASN A 895 32.653 115.089 21.655 1.00 19.79 O ATOM 336 CB ASN A 895 34.478 112.946 20.709 1.00 19.37 C ATOM 337 CG ASN A 895 35.792 112.350 20.228 1.00 19.81 C ATOM 338 OD1 ASN A 895 35.800 111.294 19.574 1.00 21.59 O ATOM 339 ND2 ASN A 895 36.900 113.013 20.531 1.00 20.22 N ATOM 340 HD22 ASN A 895 36.845 113.894 21.081 1.00 0.00 H ATOM 341 HD21 ASN A 895 37.824 112.652 20.218 1.00 0.00 H ATOM 342 H ASN A 895 35.286 111.912 22.952 1.00 0.00 H ATOM 343 N ASN A 896 32.680 113.773 23.484 1.00 18.84 N ATOM 344 CA ASN A 896 31.352 114.135 23.959 1.00 20.91 C ATOM 345 C ASN A 896 31.328 115.561 24.517 1.00 20.53 C ATOM 346 O ASN A 896 32.137 115.903 25.378 1.00 21.27 O ATOM 347 CB ASN A 896 30.920 113.143 25.051 1.00 20.65 C ATOM 348 CG ASN A 896 29.435 113.165 25.338 1.00 20.17 C ATOM 349 OD1 ASN A 896 28.697 114.015 24.847 1.00 21.19 O ATOM 350 ND2 ASN A 896 28.987 112.219 26.169 1.00 21.18 N ATOM 351 HD22 ASN A 896 29.647 111.518 26.563 1.00 0.00 H ATOM 352 HD21 ASN A 896 27.979 112.184 26.422 1.00 0.00 H ATOM 353 H ASN A 896 33.229 113.083 24.036 1.00 0.00 H ATOM 354 N SER A 897 30.390 116.383 24.058 1.00 22.46 N ATOM 355 CA SER A 897 30.283 117.742 24.592 1.00 22.65 C ATOM 356 C SER A 897 29.628 117.752 25.963 1.00 24.72 C ATOM 357 O SER A 897 29.704 118.750 26.681 1.00 22.58 O ATOM 358 CB SER A 897 29.504 118.637 23.633 1.00 27.80 C ATOM 359 OG SER A 897 30.260 118.840 22.447 1.00 29.48 O ATOM 360 HG SER A 897 29.751 119.421 21.828 1.00 0.00 H ATOM 361 H SER A 897 29.732 116.061 23.320 1.00 0.00 H ATOM 362 N ASP A 898 28.989 116.640 26.322 1.00 20.71 N ATOM 363 CA ASP A 898 28.310 116.508 27.613 1.00 21.52 C ATOM 364 C ASP A 898 29.322 116.008 28.639 1.00 21.90 C ATOM 365 O ASP A 898 29.649 114.833 28.652 1.00 21.80 O ATOM 366 CB ASP A 898 27.116 115.552 27.475 1.00 22.03 C ATOM 367 CG ASP A 898 26.428 115.240 28.792 1.00 26.30 C ATOM 368 OD1 ASP A 898 26.769 115.820 29.851 1.00 26.02 O ATOM 369 OD2 ASP A 898 25.511 114.389 28.749 1.00 26.44 O ATOM 370 H ASP A 898 28.972 115.837 25.662 1.00 0.00 H ATOM 371 N LYS A 899 29.823 116.899 29.490 1.00 21.55 N ATOM 372 CA LYS A 899 30.975 116.551 30.326 1.00 20.68 C ATOM 373 C LYS A 899 30.617 115.767 31.606 1.00 20.73 C ATOM 374 O LYS A 899 31.489 115.453 32.428 1.00 20.82 O ATOM 375 CB LYS A 899 31.768 117.817 30.655 1.00 20.88 C ATOM 376 CG LYS A 899 32.341 118.506 29.404 1.00 21.48 C ATOM 377 CD LYS A 899 33.119 117.530 28.515 1.00 23.98 C ATOM 378 CE LYS A 899 33.638 118.200 27.238 1.00 24.22 C ATOM 379 NZ LYS A 899 34.346 117.231 26.337 1.00 27.50 N ATOM 380 HZ1 LYS A 899 35.158 116.821 26.841 1.00 0.00 H ATOM 381 HZ2 LYS A 899 33.690 116.473 26.061 1.00 0.00 H ATOM 382 HZ3 LYS A 899 34.679 117.729 25.487 1.00 0.00 H ATOM 383 H LYS A 899 29.396 117.845 29.562 1.00 0.00 H ATOM 384 N ARG A 900 29.348 115.408 31.752 1.00 19.92 N ATOM 385 CA ARG A 900 28.976 114.377 32.723 1.00 22.29 C ATOM 386 C ARG A 900 29.521 113.008 32.283 1.00 23.77 C ATOM 387 O ARG A 900 29.793 112.137 33.109 1.00 21.28 O ATOM 388 CB ARG A 900 27.457 114.281 32.882 1.00 22.32 C ATOM 389 CG ARG A 900 26.764 115.544 33.369 1.00 26.06 C ATOM 390 CD ARG A 900 25.241 115.354 33.341 1.00 28.20 C ATOM 391 NE ARG A 900 24.771 115.026 31.995 1.00 29.58 N ATOM 392 CZ ARG A 900 23.537 114.614 31.712 1.00 32.20 C ATOM 393 NH1 ARG A 900 22.641 114.481 32.681 1.00 33.76 N ATOM 394 NH2 ARG A 900 23.201 114.329 30.459 1.00 31.08 N ATOM 395 HE ARG A 900 25.444 115.121 31.208 1.00 0.00 H ATOM 396 HH12 ARG A 900 21.678 114.159 32.458 1.00 0.00 H ATOM 397 HH11 ARG A 900 22.902 114.699 33.664 1.00 0.00 H ATOM 398 HH22 ARG A 900 22.237 114.007 30.240 1.00 0.00 H ATOM 399 HH21 ARG A 900 23.902 114.428 29.697 1.00 0.00 H ATOM 400 H ARG A 900 28.613 115.862 31.173 1.00 0.00 H ATOM 401 N PHE A 901 29.659 112.827 30.973 1.00 21.82 N ATOM 402 CA PHE A 901 29.931 111.511 30.391 1.00 21.06 C ATOM 403 C PHE A 901 31.011 111.565 29.312 1.00 21.84 C ATOM 404 O PHE A 901 30.823 111.028 28.216 1.00 22.54 O ATOM 405 CB PHE A 901 28.647 110.924 29.791 1.00 20.31 C ATOM 406 CG PHE A 901 27.531 110.765 30.781 1.00 21.37 C ATOM 407 CD1 PHE A 901 27.600 109.800 31.782 1.00 24.13 C ATOM 408 CD2 PHE A 901 26.403 111.568 30.710 1.00 24.74 C ATOM 409 CE1 PHE A 901 26.565 109.648 32.695 1.00 24.68 C ATOM 410 CE2 PHE A 901 25.363 111.419 31.628 1.00 24.45 C ATOM 411 CZ PHE A 901 25.449 110.462 32.622 1.00 24.49 C ATOM 412 H PHE A 901 29.571 113.648 30.340 1.00 0.00 H ATOM 413 N ALA A 902 32.135 112.202 29.622 1.00 19.58 N ATOM 414 CA ALA A 902 33.118 112.518 28.593 1.00 20.34 C ATOM 415 C ALA A 902 34.524 112.006 28.888 1.00 20.12 C ATOM 416 O ALA A 902 35.499 112.583 28.439 1.00 21.49 O ATOM 417 CB ALA A 902 33.151 114.032 28.355 1.00 19.96 C ATOM 418 H ALA A 902 32.315 112.478 30.608 1.00 0.00 H ATOM 419 N ASP A 903 34.627 110.921 29.645 1.00 19.06 N ATOM 420 CA ASP A 903 35.848 110.128 29.596 1.00 19.74 C ATOM 421 C ASP A 903 35.446 108.697 29.893 1.00 21.23 C ATOM 422 O ASP A 903 34.339 108.448 30.382 1.00 18.82 O ATOM 423 CB ASP A 903 36.948 110.670 30.540 1.00 20.87 C ATOM 424 CG ASP A 903 36.646 110.468 32.014 1.00 25.11 C ATOM 425 OD1 ASP A 903 36.618 109.308 32.474 1.00 26.02 O ATOM 426 OD2 ASP A 903 36.496 111.477 32.735 1.00 26.00 O ATOM 427 H ASP A 903 33.843 110.639 30.268 1.00 0.00 H ATOM 428 N CYS A 904 36.316 107.751 29.551 1.00 20.12 N ATOM 429 CA CYS A 904 35.918 106.351 29.590 1.00 19.34 C ATOM 430 C CYS A 904 35.689 105.818 30.999 1.00 22.74 C ATOM 431 O CYS A 904 35.133 104.740 31.147 1.00 22.97 O ATOM 432 CB CYS A 904 36.958 105.491 28.868 1.00 20.42 C ATOM 433 SG CYS A 904 37.038 105.833 27.095 1.00 18.50 S ATOM 434 H CYS A 904 37.279 108.011 29.256 1.00 0.00 H ATOM 435 N SER A 905 36.082 106.574 32.026 1.00 22.08 N ATOM 436 CA SER A 905 35.852 106.118 33.401 1.00 23.76 C ATOM 437 C SER A 905 34.415 106.361 33.860 1.00 25.59 C ATOM 438 O SER A 905 33.950 105.720 34.798 1.00 28.87 O ATOM 439 CB SER A 905 36.833 106.788 34.380 1.00 26.20 C ATOM 440 OG SER A 905 36.463 108.131 34.678 1.00 27.48 O ATOM 441 HG SER A 905 36.451 108.662 33.842 1.00 0.00 H ATOM 442 H SER A 905 36.551 107.486 31.852 1.00 0.00 H ATOM 443 N LYS A 906 33.706 107.273 33.202 1.00 18.76 N ATOM 444 CA LYS A 906 32.365 107.627 33.635 1.00 21.61 C ATOM 445 C LYS A 906 31.379 106.497 33.340 1.00 24.91 C ATOM 446 O LYS A 906 31.311 106.000 32.218 1.00 20.25 O ATOM 447 CB LYS A 906 31.907 108.924 32.956 1.00 21.64 C ATOM 448 CG LYS A 906 32.786 110.140 33.257 1.00 21.93 C ATOM 449 CD LYS A 906 32.854 110.406 34.765 1.00 24.82 C ATOM 450 CE LYS A 906 33.651 111.670 35.071 1.00 28.98 C ATOM 451 NZ LYS A 906 32.991 112.891 34.551 1.00 31.84 N ATOM 452 HZ1 LYS A 906 32.889 112.816 33.519 1.00 0.00 H ATOM 453 HZ2 LYS A 906 32.052 112.988 34.987 1.00 0.00 H ATOM 454 HZ3 LYS A 906 33.570 113.723 34.784 1.00 0.00 H ATOM 455 H LYS A 906 34.116 107.739 32.367 1.00 0.00 H ATOM 456 N SER A 907 30.611 106.086 34.341 1.00 21.88 N ATOM 457 CA SER A 907 29.611 105.053 34.108 1.00 21.78 C ATOM 458 C SER A 907 28.624 105.458 33.016 1.00 21.55 C ATOM 459 O SER A 907 28.378 106.646 32.773 1.00 21.66 O ATOM 460 CB SER A 907 28.862 104.733 35.404 1.00 25.50 C ATOM 461 OG SER A 907 29.768 104.195 36.349 1.00 27.36 O ATOM 462 HG SER A 907 29.284 103.988 37.187 1.00 0.00 H ATOM 463 H SER A 907 30.723 106.500 35.288 1.00 0.00 H ATOM 464 N GLN A 908 28.088 104.461 32.326 1.00 19.93 N ATOM 465 CA GLN A 908 27.056 104.708 31.337 1.00 21.22 C ATOM 466 C GLN A 908 25.811 105.311 31.989 1.00 22.50 C ATOM 467 O GLN A 908 25.433 104.931 33.107 1.00 23.25 O ATOM 468 CB GLN A 908 26.715 103.408 30.610 1.00 21.14 C ATOM 469 CG GLN A 908 25.755 103.566 29.458 1.00 21.24 C ATOM 470 CD GLN A 908 25.664 102.296 28.650 1.00 19.61 C ATOM 471 OE1 GLN A 908 26.630 101.897 28.008 1.00 18.52 O ATOM 472 NE2 GLN A 908 24.515 101.624 28.718 1.00 20.80 N ATOM 473 HE22 GLN A 908 23.723 102.003 29.276 1.00 0.00 H ATOM 474 HE21 GLN A 908 24.410 100.721 28.213 1.00 0.00 H ATOM 475 H GLN A 908 28.412 103.488 32.496 1.00 0.00 H ATOM 476 N GLU A 909 25.176 106.239 31.288 1.00 21.49 N ATOM 477 CA GLU A 909 24.082 107.031 31.851 1.00 23.95 C ATOM 478 C GLU A 909 22.914 106.185 32.361 1.00 24.44 C ATOM 479 O GLU A 909 22.380 106.440 33.444 1.00 26.93 O ATOM 480 CB GLU A 909 23.563 108.028 30.818 1.00 23.87 C ATOM 481 CG GLU A 909 22.443 108.916 31.352 1.00 26.31 C ATOM 482 CD GLU A 909 21.946 109.901 30.323 1.00 25.81 C ATOM 483 OE1 GLU A 909 22.655 110.128 29.314 1.00 23.45 O ATOM 484 OE2 GLU A 909 20.840 110.453 30.518 1.00 27.43 O ATOM 485 H GLU A 909 25.465 106.410 30.304 1.00 0.00 H ATOM 486 N MET A 910 22.519 105.186 31.581 1.00 22.11 N ATOM 487 CA MET A 910 21.454 104.268 31.986 1.00 23.30 C ATOM 488 C MET A 910 21.697 102.923 31.327 1.00 24.96 C ATOM 489 O MET A 910 22.602 102.804 30.498 1.00 23.41 O ATOM 490 CB MET A 910 20.080 104.815 31.611 1.00 23.29 C ATOM 491 CG MET A 910 19.861 104.977 30.126 1.00 22.95 C ATOM 492 SD MET A 910 18.282 105.768 29.727 1.00 32.71 S ATOM 493 CE MET A 910 18.495 107.345 30.539 1.00 30.15 C ATOM 494 H MET A 910 22.979 105.052 30.658 1.00 0.00 H ATOM 495 N SER A 911 20.914 101.908 31.695 1.00 22.65 N ATOM 496 CA SER A 911 21.133 100.568 31.145 1.00 24.33 C ATOM 497 C SER A 911 20.840 100.514 29.651 1.00 21.22 C ATOM 498 O SER A 911 20.104 101.350 29.122 1.00 21.74 O ATOM 499 CB SER A 911 20.265 99.538 31.866 1.00 25.33 C ATOM 500 OG SER A 911 18.921 99.656 31.451 1.00 24.80 O ATOM 501 HG SER A 911 18.590 100.565 31.663 1.00 0.00 H ATOM 502 H SER A 911 20.144 102.069 32.376 1.00 0.00 H ATOM 503 N ASN A 912 21.402 99.516 28.972 1.00 19.44 N ATOM 504 CA ASN A 912 21.135 99.330 27.554 1.00 19.32 C ATOM 505 C ASN A 912 19.656 99.172 27.248 1.00 21.97 C ATOM 506 O ASN A 912 19.150 99.712 26.261 1.00 19.94 O ATOM 507 CB ASN A 912 21.900 98.123 27.024 1.00 20.74 C ATOM 508 CG ASN A 912 23.396 98.355 27.012 1.00 21.81 C ATOM 509 OD1 ASN A 912 23.849 99.499 26.927 1.00 22.20 O ATOM 510 ND2 ASN A 912 24.170 97.280 27.087 1.00 20.19 N ATOM 511 HD22 ASN A 912 23.742 96.335 27.157 1.00 0.00 H ATOM 512 HD21 ASN A 912 25.205 97.382 27.075 1.00 0.00 H ATOM 513 H ASN A 912 22.042 98.859 29.463 1.00 0.00 H ATOM 514 N GLU A 913 18.965 98.422 28.095 1.00 22.57 N ATOM 515 CA GLU A 913 17.546 98.198 27.867 1.00 28.44 C ATOM 516 C GLU A 913 16.745 99.485 28.062 1.00 26.77 C ATOM 517 O GLU A 913 15.752 99.710 27.365 1.00 23.99 O ATOM 518 CB GLU A 913 17.032 97.092 28.782 1.00 27.80 C ATOM 519 CG GLU A 913 17.508 95.707 28.360 1.00 31.16 C ATOM 520 CD GLU A 913 18.906 95.344 28.869 1.00 27.72 C ATOM 521 OE1 GLU A 913 19.540 96.153 29.595 1.00 29.64 O ATOM 522 OE2 GLU A 913 19.360 94.223 28.547 1.00 25.22 O ATOM 523 H GLU A 913 19.435 97.996 28.919 1.00 0.00 H ATOM 524 N GLU A 914 17.184 100.329 28.993 1.00 24.95 N ATOM 525 CA GLU A 914 16.537 101.625 29.206 1.00 26.94 C ATOM 526 C GLU A 914 16.777 102.570 28.026 1.00 26.03 C ATOM 527 O GLU A 914 15.876 103.317 27.624 1.00 25.94 O ATOM 528 CB GLU A 914 17.016 102.254 30.511 1.00 25.99 C ATOM 529 CG GLU A 914 16.466 101.534 31.749 1.00 30.13 C ATOM 530 CD GLU A 914 17.018 102.081 33.050 1.00 37.98 C ATOM 531 OE1 GLU A 914 18.254 102.055 33.256 1.00 35.59 O ATOM 532 OE2 GLU A 914 16.203 102.546 33.874 1.00 50.68 O ATOM 533 H GLU A 914 18.001 100.063 29.579 1.00 0.00 H ATOM 534 N ILE A 915 17.981 102.523 27.456 1.00 25.06 N ATOM 535 CA ILE A 915 18.285 103.313 26.268 1.00 22.53 C ATOM 536 C ILE A 915 17.387 102.886 25.116 1.00 24.67 C ATOM 537 O ILE A 915 16.780 103.719 24.454 1.00 24.72 O ATOM 538 CB ILE A 915 19.771 103.166 25.834 1.00 21.20 C ATOM 539 CG1 ILE A 915 20.709 103.802 26.852 1.00 21.21 C ATOM 540 CG2 ILE A 915 20.007 103.776 24.448 1.00 22.08 C ATOM 541 CD1 ILE A 915 22.163 103.394 26.648 1.00 19.65 C ATOM 542 H ILE A 915 18.717 101.912 27.865 1.00 0.00 H ATOM 543 N ASN A 916 17.305 101.578 24.880 1.00 21.35 N ATOM 544 CA ASN A 916 16.514 101.073 23.766 1.00 24.99 C ATOM 545 C ASN A 916 15.037 101.399 23.952 1.00 26.28 C ATOM 546 O ASN A 916 14.331 101.667 22.979 1.00 28.73 O ATOM 547 CB ASN A 916 16.709 99.568 23.603 1.00 23.76 C ATOM 548 CG ASN A 916 18.136 99.203 23.253 1.00 24.39 C ATOM 549 OD1 ASN A 916 18.910 100.041 22.788 1.00 22.71 O ATOM 550 ND2 ASN A 916 18.496 97.945 23.487 1.00 22.35 N ATOM 551 HD22 ASN A 916 17.808 97.272 23.881 1.00 0.00 H ATOM 552 HD21 ASN A 916 19.466 97.634 23.276 1.00 0.00 H ATOM 553 H ASN A 916 17.811 100.911 25.497 1.00 0.00 H ATOM 554 N ALA A 917 14.573 101.376 25.196 1.00 26.82 N ATOM 555 CA ALA A 917 13.189 101.748 25.489 1.00 26.99 C ATOM 556 C ALA A 917 12.930 103.218 25.150 1.00 30.59 C ATOM 557 O ALA A 917 11.905 103.544 24.541 1.00 31.71 O ATOM 558 CB ALA A 917 12.859 101.469 26.941 1.00 29.42 C ATOM 559 H ALA A 917 15.202 101.090 25.973 1.00 0.00 H ATOM 560 N GLU A 918 13.853 104.096 25.539 1.00 29.35 N ATOM 561 CA GLU A 918 13.735 105.523 25.222 1.00 29.91 C ATOM 562 C GLU A 918 13.677 105.747 23.720 1.00 33.07 C ATOM 563 O GLU A 918 12.955 106.623 23.244 1.00 34.15 O ATOM 564 CB GLU A 918 14.903 106.312 25.818 1.00 31.56 C ATOM 565 CG GLU A 918 14.482 107.437 26.743 1.00 35.80 C ATOM 566 CD GLU A 918 15.655 108.265 27.234 1.00 35.49 C ATOM 567 OE1 GLU A 918 16.365 108.848 26.389 1.00 34.61 O ATOM 568 OE2 GLU A 918 15.867 108.323 28.468 1.00 42.57 O ATOM 569 H GLU A 918 14.676 103.762 26.080 1.00 0.00 H ATOM 570 N LEU A 919 14.438 104.947 22.977 1.00 27.85 N ATOM 571 CA LEU A 919 14.490 105.046 21.524 1.00 29.67 C ATOM 572 C LEU A 919 13.316 104.349 20.847 1.00 30.31 C ATOM 573 O LEU A 919 13.078 104.539 19.656 1.00 33.71 O ATOM 574 CB LEU A 919 15.794 104.449 20.997 1.00 29.81 C ATOM 575 CG LEU A 919 17.111 105.131 21.372 1.00 28.08 C ATOM 576 CD1 LEU A 919 18.257 104.343 20.754 1.00 25.76 C ATOM 577 CD2 LEU A 919 17.145 106.596 20.928 1.00 28.47 C ATOM 578 H LEU A 919 15.017 104.225 23.451 1.00 0.00 H ATOM 579 N GLY A 920 12.597 103.528 21.606 1.00 33.93 N ATOM 580 CA GLY A 920 11.497 102.755 21.062 1.00 34.97 C ATOM 581 C GLY A 920 11.956 101.640 20.143 1.00 36.98 C ATOM 582 O GLY A 920 11.265 101.287 19.184 1.00 40.17 O ATOM 583 H GLY A 920 12.829 103.438 22.616 1.00 0.00 H ATOM 584 N ILE A 921 13.133 101.085 20.423 1.00 34.07 N ATOM 585 CA ILE A 921 13.627 99.944 19.661 1.00 34.28 C ATOM 586 C ILE A 921 13.833 98.728 20.563 1.00 34.41 C ATOM 587 O ILE A 921 14.055 97.621 20.066 1.00 35.09 O ATOM 588 CB ILE A 921 14.944 100.259 18.940 1.00 34.38 C ATOM 589 CG1 ILE A 921 16.083 100.402 19.953 1.00 30.43 C ATOM 590 CG2 ILE A 921 14.794 101.522 18.093 1.00 34.57 C ATOM 591 CD1 ILE A 921 17.430 100.708 19.327 1.00 28.40 C ATOM 592 H ILE A 921 13.710 101.471 21.198 1.00 0.00 H TER 593 ILE A 921 HETATM 594 O HOH 1 31.105 109.993 8.237 1.00 36.32 O HETATM 595 O HOH 2 19.973 95.256 31.855 1.00 32.84 O HETATM 596 O HOH 3 33.585 109.976 9.289 1.00 35.65 O HETATM 597 O HOH 4 28.613 118.398 20.589 1.00 31.69 O HETATM 598 O HOH 5 14.170 97.884 26.470 1.00 31.21 O HETATM 599 O HOH 6 17.499 109.507 17.778 1.00 38.36 O HETATM 600 O HOH 7 33.148 113.511 31.950 1.00 22.06 O HETATM 601 O HOH 8 24.832 107.704 12.357 1.00 42.28 O HETATM 602 O HOH 9 16.141 96.394 21.064 1.00 36.82 O HETATM 603 O HOH 10 28.301 108.353 5.933 1.00 31.01 O HETATM 604 O HOH 11 37.717 110.451 14.880 1.00 27.23 O HETATM 605 O HOH 12 28.638 98.348 26.126 1.00 24.11 O HETATM 606 O HOH 13 37.830 100.311 18.596 1.00 32.23 O HETATM 607 O HOH 14 31.593 102.515 18.281 1.00 21.80 O HETATM 608 O HOH 15 30.362 114.686 13.305 1.00 30.50 O HETATM 609 O HOH 16 27.761 99.512 28.450 1.00 27.13 O HETATM 610 O HOH 17 20.597 113.121 30.573 1.00 34.64 O HETATM 611 O HOH 18 35.819 114.037 32.320 1.00 24.76 O HETATM 612 O HOH 19 29.367 121.409 26.712 1.00 31.84 O HETATM 613 O HOH 20 26.578 115.198 23.692 1.00 29.10 O HETATM 614 O HOH 21 14.683 106.777 30.331 1.00 42.86 O HETATM 615 O HOH 22 28.713 110.990 35.303 1.00 30.74 O HETATM 616 O HOH 23 35.391 108.290 8.203 1.00 34.52 O HETATM 617 O HOH 24 26.398 107.364 28.910 1.00 20.04 O HETATM 618 O HOH 25 19.615 119.678 17.958 1.00 45.24 O HETATM 619 O HOH 26 26.425 118.236 31.067 1.00 42.52 O HETATM 620 O HOH 27 21.748 114.033 12.381 1.00 38.18 O HETATM 621 O HOH 28 27.141 105.024 12.869 1.00 32.59 O HETATM 622 O HOH 29 17.091 108.576 23.766 1.00 30.96 O HETATM 623 O HOH 30 23.539 114.514 26.854 1.00 35.18 O HETATM 624 O HOH 31 25.091 109.700 28.133 1.00 20.22 O HETATM 625 O HOH 32 19.645 109.996 32.952 1.00 41.58 O HETATM 626 O HOH 33 33.296 99.967 29.390 1.00 25.88 O HETATM 627 O HOH 34 23.078 108.455 35.192 1.00 37.38 O HETATM 628 O HOH 35 33.044 100.857 15.610 1.00 37.80 O HETATM 629 O HOH 36 39.539 107.342 25.364 1.00 29.06 O HETATM 630 O HOH 37 13.992 104.330 29.386 1.00 35.19 O HETATM 631 O HOH 38 37.975 110.324 18.154 1.00 28.70 O HETATM 632 O HOH 39 37.570 115.276 22.055 1.00 25.67 O HETATM 633 O HOH 40 20.695 114.874 23.654 1.00 35.07 O HETATM 634 O HOH 41 23.468 98.153 30.347 1.00 23.99 O HETATM 635 O HOH 42 26.176 112.085 27.131 1.00 20.56 O HETATM 636 O HOH 43 16.375 96.252 24.389 1.00 30.06 O HETATM 637 O HOH 44 34.603 103.002 14.515 1.00 40.04 O HETATM 638 O HOH 45 22.532 115.628 35.305 1.00 40.06 O HETATM 639 O HOH 46 19.481 93.159 25.874 1.00 24.92 O HETATM 640 O HOH 47 34.190 102.862 34.479 1.00 42.07 O HETATM 641 O HOH 48 28.955 101.755 32.879 1.00 27.25 O HETATM 642 O HOH 49 30.473 114.339 19.904 1.00 21.71 O HETATM 643 O HOH 50 14.263 96.618 17.341 1.00 36.79 O HETATM 644 O HOH 51 10.836 108.248 24.462 1.00 46.10 O HETATM 645 O HOH 52 31.489 101.071 13.826 1.00 41.66 O HETATM 646 O HOH 53 28.637 115.742 21.676 1.00 23.40 O HETATM 647 O HOH 54 39.429 102.616 17.145 1.00 37.33 O HETATM 648 O HOH 55 26.208 97.455 29.334 1.00 29.26 O HETATM 649 O HOH 56 19.005 117.282 18.230 1.00 38.09 O HETATM 650 O HOH 57 38.562 108.231 37.049 1.00 44.38 O HETATM 651 O HOH 58 14.976 115.578 16.320 1.00 48.19 O HETATM 652 O HOH 59 19.504 115.168 32.706 1.00 44.33 O HETATM 653 O HOH 60 35.276 97.425 27.303 1.00 37.36 O HETATM 654 O HOH 61 18.209 96.917 33.117 1.00 37.02 O HETATM 655 O HOH 62 26.832 104.231 8.726 1.00 41.61 O HETATM 656 O HOH 63 39.024 104.980 31.990 1.00 32.65 O HETATM 657 O HOH 64 39.862 111.477 19.555 1.00 34.99 O HETATM 658 O HOH 65 20.698 111.275 33.894 1.00 42.71 O HETATM 659 O HOH 66 37.359 103.249 15.198 1.00 36.08 O HETATM 660 O HOH 67 23.314 115.270 24.564 1.00 41.47 O HETATM 661 O HOH 68 13.689 97.102 23.622 1.00 36.73 O HETATM 662 O HOH 69 37.806 107.710 9.398 1.00 40.80 O HETATM 663 O HOH 70 24.904 99.971 32.250 1.00 37.85 O HETATM 664 O HOH 71 25.728 117.551 24.295 1.00 39.27 O HETATM 665 O HOH 72 25.994 107.838 7.009 1.00 40.68 O HETATM 666 O HOH 73 33.210 95.871 26.790 1.00 43.55 O HETATM 667 O HOH 74 22.754 110.715 6.112 1.00 42.47 O HETATM 668 O HOH 75 29.383 99.712 31.104 1.00 41.99 O HETATM 669 O HOH 76 12.059 103.714 16.685 1.00 50.16 O HETATM 670 O HOH 77 21.973 105.094 13.775 1.00 36.78 O HETATM 671 O HOH 78 16.492 102.898 14.833 1.00 41.31 O HETATM 672 O HOH 79 25.709 102.111 13.794 1.00 36.72 O HETATM 673 O HOH 80 33.210 95.870 14.633 1.00 58.20 O HETATM 674 O HOH 81 19.020 102.613 15.761 1.00 34.22 O HETATM 675 O HOH 82 23.695 99.886 15.828 1.00 42.47 O HETATM 676 O HOH 83 33.210 95.870 17.287 1.00 35.16 O HETATM 677 O HOH 84 25.497 104.053 11.057 1.00 43.79 O HETATM 678 N ALA A 85 31.954 104.346 14.051 1.00 0.24 N HETATM 679 CA ALA A 85 31.397 104.106 15.376 1.00 0.06 C HETATM 680 C ALA A 85 29.957 103.632 15.253 1.00 0.23 C HETATM 681 O ALA A 85 29.252 104.009 14.310 1.00 -0.39 O HETATM 682 N ALA A 85 29.522 102.784 16.179 1.00 -0.26 N HETATM 683 CA ALA A 85 28.146 102.313 16.174 1.00 0.13 C HETATM 684 C ALA A 85 27.229 103.359 16.796 1.00 0.20 C HETATM 685 O ALA A 85 27.584 103.977 17.805 1.00 -0.39 O HETATM 686 N ALA A 85 26.056 103.557 16.194 1.00 -0.26 N HETATM 687 CA ALA A 85 25.049 104.462 16.745 1.00 0.16 C HETATM 688 C ALA A 85 23.671 103.809 16.814 1.00 0.21 C HETATM 689 O ALA A 85 23.401 102.834 16.105 1.00 -0.39 O HETATM 690 N ALA A 85 22.808 104.349 17.671 1.00 -0.26 N HETATM 691 CA ALA A 85 21.451 103.920 17.755 1.00 0.13 C HETATM 692 CB ALA A 85 21.226 103.070 19.011 1.00 -0.01 C HETATM 693 CG ALA A 85 21.975 101.748 18.944 1.00 -0.04 C HETATM 694 CD ALA A 85 21.489 100.770 20.043 1.00 -0.01 C HETATM 695 CE ALA A 85 21.936 101.212 21.434 1.00 -0.03 C HETATM 696 NZ ALA A 85 21.644 100.171 22.413 1.00 0.22 N HETATM 697 CM ALA A 85 22.120 100.584 23.713 1.00 -0.04 C HETATM 698 H40 ALA A 85 21.899 99.799 24.451 1.00 0.08 H HETATM 699 H41 ALA A 85 21.617 101.516 24.009 1.00 0.08 H HETATM 700 H42 ALA A 85 23.206 100.752 23.669 1.00 0.08 H HETATM 701 H38 ALA A 85 22.105 99.317 22.142 1.00 0.20 H HETATM 702 H39 ALA A 85 20.649 100.017 22.453 1.00 0.20 H HETATM 703 H36 ALA A 85 21.401 102.132 21.712 1.00 0.08 H HETATM 704 H37 ALA A 85 23.019 101.406 21.423 1.00 0.08 H HETATM 705 H34 ALA A 85 21.901 99.771 19.838 1.00 0.03 H HETATM 706 H35 ALA A 85 20.390 100.726 20.020 1.00 0.03 H HETATM 707 H32 ALA A 85 23.050 101.938 19.083 1.00 0.03 H HETATM 708 H33 ALA A 85 21.808 101.291 17.958 1.00 0.03 H HETATM 709 H30 ALA A 85 20.150 102.864 19.113 1.00 0.03 H HETATM 710 H31 ALA A 85 21.576 103.633 19.889 1.00 0.03 H HETATM 711 C ALA A 85 20.586 105.155 17.783 1.00 0.20 C HETATM 712 O ALA A 85 20.931 106.162 18.438 1.00 -0.39 O HETATM 713 N ALA A 85 19.448 105.116 17.094 1.00 -0.26 N HETATM 714 CA ALA A 85 18.539 106.258 17.097 1.00 0.13 C HETATM 715 C ALA A 85 17.087 105.813 16.967 1.00 0.20 C HETATM 716 O ALA A 85 16.818 104.653 16.673 1.00 -0.39 O HETATM 717 N ALA A 85 16.159 106.739 17.184 1.00 -0.26 N HETATM 718 CA ALA A 85 14.734 106.441 17.032 1.00 0.16 C HETATM 719 C ALA A 85 14.435 106.120 15.574 1.00 0.21 C HETATM 720 O ALA A 85 15.011 106.726 14.672 1.00 -0.39 O HETATM 721 N ALA A 85 13.552 105.155 15.339 1.00 -0.27 N HETATM 722 CA ALA A 85 13.169 104.801 13.976 1.00 0.09 C HETATM 723 C ALA A 85 11.817 105.415 13.620 1.00 0.06 C HETATM 724 O ALA A 85 11.714 106.225 12.697 1.00 -0.57 O HETATM 725 OXT ALA A 85 10.801 105.113 14.248 1.00 -0.57 O HETATM 726 CB ALA A 85 13.129 103.287 13.807 1.00 -0.03 C HETATM 727 H60 ALA A 85 12.839 103.041 12.775 1.00 0.03 H HETATM 728 H61 ALA A 85 12.395 102.859 14.506 1.00 0.03 H HETATM 729 H62 ALA A 85 14.124 102.868 14.018 1.00 0.03 H HETATM 730 H59 ALA A 85 13.925 105.206 13.288 1.00 0.07 H HETATM 731 H58 ALA A 85 13.144 104.664 16.108 1.00 0.19 H HETATM 732 CB ALA A 85 13.845 107.619 17.487 1.00 0.09 C HETATM 733 OG1 ALA A 85 14.342 108.157 18.720 1.00 -0.39 O HETATM 734 H54 ALA A 85 13.791 108.881 18.994 1.00 0.21 H HETATM 735 CG2 ALA A 85 12.404 107.167 17.677 1.00 -0.03 C HETATM 736 H55 ALA A 85 11.791 108.021 18.000 1.00 0.03 H HETATM 737 H56 ALA A 85 12.365 106.378 18.442 1.00 0.03 H HETATM 738 H57 ALA A 85 12.014 106.775 16.726 1.00 0.03 H HETATM 739 H53 ALA A 85 13.873 108.403 16.716 1.00 0.06 H HETATM 740 H52 ALA A 85 14.493 105.563 17.649 1.00 0.08 H HETATM 741 H51 ALA A 85 16.440 107.659 17.457 1.00 0.19 H HETATM 742 CB ALA A 85 18.898 107.231 15.972 1.00 0.00 C HETATM 743 CG ALA A 85 18.929 106.615 14.582 1.00 0.04 C HETATM 744 CD ALA A 85 19.761 107.445 13.607 1.00 0.17 C HETATM 745 OE1 ALA A 85 20.571 106.912 12.849 1.00 -0.40 O HETATM 746 NE2 ALA A 85 19.567 108.757 13.636 1.00 -0.30 N HETATM 747 H49 ALA A 85 20.083 109.353 13.020 1.00 0.18 H HETATM 748 H50 ALA A 85 18.904 109.150 14.273 1.00 0.18 H HETATM 749 H47 ALA A 85 17.899 106.546 14.201 1.00 0.05 H HETATM 750 H48 ALA A 85 19.363 105.606 14.650 1.00 0.05 H HETATM 751 H45 ALA A 85 19.894 107.647 16.184 1.00 0.03 H HETATM 752 H46 ALA A 85 18.155 108.042 15.970 1.00 0.03 H HETATM 753 H44 ALA A 85 18.652 106.782 18.057 1.00 0.08 H HETATM 754 H43 ALA A 85 19.214 104.297 16.570 1.00 0.19 H HETATM 755 H29 ALA A 85 21.201 103.317 16.869 1.00 0.08 H HETATM 756 H28 ALA A 85 23.122 105.080 18.276 1.00 0.19 H HETATM 757 CB ALA A 85 24.910 105.748 15.914 1.00 0.09 C HETATM 758 OG1 ALA A 85 24.461 105.401 14.593 1.00 -0.39 O HETATM 759 H24 ALA A 85 23.620 104.962 14.650 1.00 0.21 H HETATM 760 CG2 ALA A 85 26.241 106.511 15.838 1.00 -0.03 C HETATM 761 H25 ALA A 85 26.107 107.423 15.238 1.00 0.03 H HETATM 762 H26 ALA A 85 27.004 105.872 15.368 1.00 0.03 H HETATM 763 H27 ALA A 85 26.566 106.784 16.853 1.00 0.03 H HETATM 764 H23 ALA A 85 24.160 106.398 16.389 1.00 0.06 H HETATM 765 H22 ALA A 85 25.362 104.733 17.764 1.00 0.08 H HETATM 766 H21 ALA A 85 25.860 103.073 15.341 1.00 0.19 H HETATM 767 CB ALA A 85 28.014 100.987 16.932 1.00 -0.01 C HETATM 768 CG ALA A 85 29.048 99.931 16.545 1.00 -0.02 C HETATM 769 CD ALA A 85 28.535 98.964 15.476 1.00 0.06 C HETATM 770 NE ALA A 85 29.509 97.906 15.190 1.00 -0.27 N HETATM 771 CZ ALA A 85 29.536 96.712 15.785 1.00 0.29 C HETATM 772 NH1 ALA A 85 28.631 96.393 16.713 1.00 -0.28 N HETATM 773 H17 ALA A 85 28.662 95.468 17.166 1.00 0.26 H HETATM 774 H18 ALA A 85 27.902 97.072 16.976 1.00 0.26 H HETATM 775 NH2 ALA A 85 30.470 95.827 15.448 1.00 -0.28 N HETATM 776 H19 ALA A 85 31.172 96.066 14.733 1.00 0.26 H HETATM 777 H20 ALA A 85 30.492 94.903 15.902 1.00 0.26 H HETATM 778 H16 ALA A 85 30.226 98.099 14.476 1.00 0.26 H HETATM 779 H14 ALA A 85 28.338 99.526 14.552 1.00 0.07 H HETATM 780 H15 ALA A 85 27.602 98.503 15.831 1.00 0.07 H HETATM 781 H12 ALA A 85 29.314 99.354 17.443 1.00 0.03 H HETATM 782 H13 ALA A 85 29.943 100.440 16.158 1.00 0.03 H HETATM 783 H10 ALA A 85 27.013 100.576 16.734 1.00 0.03 H HETATM 784 H11 ALA A 85 28.120 101.194 18.007 1.00 0.03 H HETATM 785 H9 ALA A 85 27.838 102.150 15.131 1.00 0.08 H HETATM 786 H8 ALA A 85 30.150 102.465 16.889 1.00 0.19 H HETATM 787 CB ALA A 85 31.492 105.374 16.231 1.00 -0.00 C HETATM 788 H5 ALA A 85 31.068 105.177 17.227 1.00 0.03 H HETATM 789 H6 ALA A 85 30.929 106.186 15.747 1.00 0.03 H HETATM 790 H7 ALA A 85 32.547 105.669 16.333 1.00 0.03 H HETATM 791 H4 ALA A 85 31.983 103.314 15.865 1.00 0.11 H HETATM 792 H1 ALA A 85 32.908 104.660 14.139 1.00 0.20 H HETATM 793 H2 ALA A 85 31.410 105.052 13.581 1.00 0.20 H HETATM 794 H3 ALA A 85 31.929 103.492 13.516 1.00 0.20 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 678 679 792 793 794 CONECT 679 678 680 787 791 CONECT 680 679 681 682 CONECT 681 680 CONECT 682 680 683 786 CONECT 683 682 684 767 785 CONECT 684 683 685 686 CONECT 685 684 CONECT 686 684 687 766 CONECT 687 686 688 757 765 CONECT 688 687 689 690 CONECT 689 688 CONECT 690 688 691 756 CONECT 691 690 692 711 755 CONECT 692 691 693 709 710 CONECT 693 692 694 707 708 CONECT 694 693 695 705 706 CONECT 695 694 696 703 704 CONECT 696 695 697 701 702 CONECT 697 696 698 699 700 CONECT 698 697 CONECT 699 697 CONECT 700 697 CONECT 701 696 CONECT 702 696 CONECT 703 695 CONECT 704 695 CONECT 705 694 CONECT 706 694 CONECT 707 693 CONECT 708 693 CONECT 709 692 CONECT 710 692 CONECT 711 691 712 713 CONECT 712 711 CONECT 713 711 714 754 CONECT 714 713 715 742 753 CONECT 715 714 716 717 CONECT 716 715 CONECT 717 715 718 741 CONECT 718 717 719 732 740 CONECT 719 718 720 721 CONECT 720 719 CONECT 721 719 722 731 CONECT 722 721 723 726 730 CONECT 723 722 724 725 CONECT 724 723 CONECT 725 723 CONECT 726 722 727 728 729 CONECT 727 726 CONECT 728 726 CONECT 729 726 CONECT 730 722 CONECT 731 721 CONECT 732 718 733 735 739 CONECT 733 732 734 CONECT 734 733 CONECT 735 732 736 737 738 CONECT 736 735 CONECT 737 735 CONECT 738 735 CONECT 739 732 CONECT 740 718 CONECT 741 717 CONECT 742 714 743 751 752 CONECT 743 742 744 749 750 CONECT 744 743 745 746 CONECT 745 744 CONECT 746 744 747 748 CONECT 747 746 CONECT 748 746 CONECT 749 743 CONECT 750 743 CONECT 751 742 CONECT 752 742 CONECT 753 714 CONECT 754 713 CONECT 755 691 CONECT 756 690 CONECT 757 687 758 760 764 CONECT 758 757 759 CONECT 759 758 CONECT 760 757 761 762 763 CONECT 761 760 CONECT 762 760 CONECT 763 760 CONECT 764 757 CONECT 765 687 CONECT 766 686 CONECT 767 683 768 783 784 CONECT 768 767 769 781 782 CONECT 769 768 770 779 780 CONECT 770 769 771 778 CONECT 771 770 772 775 CONECT 772 771 773 774 CONECT 773 772 CONECT 774 772 CONECT 775 771 776 777 CONECT 776 775 CONECT 777 775 CONECT 778 770 CONECT 779 769 CONECT 780 769 CONECT 781 768 CONECT 782 768 CONECT 783 767 CONECT 784 767 CONECT 785 683 CONECT 786 682 CONECT 787 679 788 789 790 CONECT 788 787 CONECT 789 787 CONECT 790 787 CONECT 791 679 CONECT 792 678 CONECT 793 678 CONECT 794 678 MASTER 0 0 0 0 0 0 0 0 793 1 121 5 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 5yvx
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1bmb
RCSB PDB
PDBbind
9-mer
1f90
RCSB PDB
PDBbind
9-mer
1fzk
RCSB PDB
PDBbind
9-mer
1fzo
RCSB PDB
PDBbind
9-mer
1g3f
RCSB PDB
PDBbind
9-mer
1g7p
RCSB PDB
PDBbind
9-mer
1gux
RCSB PDB
PDBbind
9-mer
1gwq
RCSB PDB
PDBbind
9-mer
1h24
RCSB PDB
PDBbind
9-mer
1inq
RCSB PDB
PDBbind
9-mer
1jp5
RCSB PDB
PDBbind
9-mer
1juf
RCSB PDB
PDBbind
9-mer
1kl3
RCSB PDB
PDBbind
9-mer
1kl5
RCSB PDB
PDBbind
9-mer
1lb6
RCSB PDB
PDBbind
9-mer
1mfg
RCSB PDB
PDBbind
9-mer
1mpa
RCSB PDB
PDBbind
9-mer
1nlo
RCSB PDB
PDBbind
9-mer
1oai
RCSB PDB
PDBbind
9-mer
1oxn
RCSB PDB
PDBbind
9-mer
1oxq
RCSB PDB
PDBbind
9-mer
1oy7
RCSB PDB
PDBbind
9-mer
1pcg
RCSB PDB
PDBbind
9-mer
1prl
RCSB PDB
PDBbind
9-mer
1prm
RCSB PDB
PDBbind
9-mer
1rlp
RCSB PDB
PDBbind
9-mer
1rlq
RCSB PDB
PDBbind
9-mer
1rst
RCSB PDB
PDBbind
9-mer
1utc
RCSB PDB
PDBbind
9-mer
1vwf
RCSB PDB
PDBbind
9-mer
1vwl
RCSB PDB
PDBbind
9-mer
1x7q
RCSB PDB
PDBbind
9-mer
1xr8
RCSB PDB
PDBbind
9-mer
1xr9
RCSB PDB
PDBbind
9-mer
1zea
RCSB PDB
PDBbind
9-mer
2bgn
RCSB PDB
PDBbind
9-mer
2bgr
RCSB PDB
PDBbind
9-mer
2e7l
RCSB PDB
PDBbind
9-mer
2gv2
RCSB PDB
PDBbind
9-mer
2h6q
RCSB PDB
PDBbind
9-mer
2hkf
RCSB PDB
PDBbind
9-mer
2jo9
RCSB PDB
PDBbind
9-mer
2jup
RCSB PDB
PDBbind
9-mer
2kgi
RCSB PDB
PDBbind
9-mer
2khh
RCSB PDB
PDBbind
9-mer
2lnw
RCSB PDB
PDBbind
9-mer
2lsv
RCSB PDB
PDBbind
9-mer
2mpa
RCSB PDB
PDBbind
9-mer
2ms4
RCSB PDB
PDBbind
9-mer
2oei
RCSB PDB
PDBbind
9-mer
2oi9
RCSB PDB
PDBbind
9-mer
2q8y
RCSB PDB
PDBbind
9-mer
2qt5
RCSB PDB
PDBbind
9-mer
2rm0
RCSB PDB
PDBbind
9-mer
2v83
RCSB PDB
PDBbind
9-mer
2v86
RCSB PDB
PDBbind
9-mer
2vpe
RCSB PDB
PDBbind
9-mer
2w0z
RCSB PDB
PDBbind
9-mer
2x3t
RCSB PDB
PDBbind
9-mer
2x4o
RCSB PDB
PDBbind
9-mer
2x4r
RCSB PDB
PDBbind
9-mer
2x4s
RCSB PDB
PDBbind
9-mer
2x4t
RCSB PDB
PDBbind
9-mer
2x4u
RCSB PDB
PDBbind
9-mer
2xhs
RCSB PDB
PDBbind
9-mer
2ymt
RCSB PDB
PDBbind
9-mer
3ah8
RCSB PDB
PDBbind
9-mer
3bgm
RCSB PDB
PDBbind
9-mer
3bze
RCSB PDB
PDBbind
9-mer
3bzf
RCSB PDB
PDBbind
9-mer
3bzi
RCSB PDB
PDBbind
9-mer
3cii
RCSB PDB
PDBbind
9-mer
3cyy
RCSB PDB
PDBbind
9-mer
3d1f
RCSB PDB
PDBbind
9-mer
3d25
RCSB PDB
PDBbind
9-mer
3drg
RCSB PDB
PDBbind
9-mer
3ery
RCSB PDB
PDBbind
9-mer
3fbr
RCSB PDB
PDBbind
9-mer
3fn0
RCSB PDB
PDBbind
9-mer
3ft2
RCSB PDB
PDBbind
9-mer
3ft3
RCSB PDB
PDBbind
9-mer
3ft4
RCSB PDB
PDBbind
9-mer
3gl6
RCSB PDB
PDBbind
9-mer
3iet
RCSB PDB
PDBbind
9-mer
3k27
RCSB PDB
PDBbind
9-mer
3lqi
RCSB PDB
PDBbind
9-mer
3lqj
RCSB PDB
PDBbind
9-mer
3mxc
RCSB PDB
PDBbind
9-mer
3mxy
RCSB PDB
PDBbind
9-mer
3o4l
RCSB PDB
PDBbind
9-mer
3o6m
RCSB PDB
PDBbind
9-mer
3obq
RCSB PDB
PDBbind
9-mer
3obu
RCSB PDB
PDBbind
9-mer
3obx
RCSB PDB
PDBbind
9-mer
3qfd
RCSB PDB
PDBbind
9-mer
3r0h
RCSB PDB
PDBbind
9-mer
3r42
RCSB PDB
PDBbind
9-mer
3rwc
RCSB PDB
PDBbind
9-mer
3rwe
RCSB PDB
PDBbind
9-mer
3rwf
RCSB PDB
PDBbind
9-mer
3rwg
RCSB PDB
PDBbind
9-mer
3soq
RCSB PDB
PDBbind
9-mer
3sou
RCSB PDB
PDBbind
9-mer
3sov
RCSB PDB
PDBbind
9-mer
3sow
RCSB PDB
PDBbind
9-mer
3t5i
RCSB PDB
PDBbind
9-mer
3tf7
RCSB PDB
PDBbind
9-mer
3tfk
RCSB PDB
PDBbind
9-mer
3tjh
RCSB PDB
PDBbind
9-mer
3tpu
RCSB PDB
PDBbind
9-mer
3zhf
RCSB PDB
PDBbind
9-mer
4bt9
RCSB PDB
PDBbind
9-mer
4btb
RCSB PDB
PDBbind
9-mer
4cdr
RCSB PDB
PDBbind
9-mer
4ezq
RCSB PDB
PDBbind
9-mer
4ezt
RCSB PDB
PDBbind
9-mer
4fcm
RCSB PDB
PDBbind
9-mer
4fmn
RCSB PDB
PDBbind
9-mer
4i80
RCSB PDB
PDBbind
9-mer
4iho
RCSB PDB
PDBbind
9-mer
4j3u
RCSB PDB
PDBbind
9-mer
4mex
RCSB PDB
PDBbind
9-mer
4mnq
RCSB PDB
PDBbind
9-mer
4mzf
RCSB PDB
PDBbind
9-mer
4mzh
RCSB PDB
PDBbind
9-mer
4o2e
RCSB PDB
PDBbind
9-mer
4od7
RCSB PDB
PDBbind
9-mer
4pg9
RCSB PDB
PDBbind
9-mer
4pgb
RCSB PDB
PDBbind
9-mer
4pgc
RCSB PDB
PDBbind
9-mer
4pgd
RCSB PDB
PDBbind
9-mer
4pge
RCSB PDB
PDBbind
9-mer
4qbm
RCSB PDB
PDBbind
9-mer
4rh5
RCSB PDB
PDBbind
9-mer
4utn
RCSB PDB
PDBbind
9-mer
4utr
RCSB PDB
PDBbind
9-mer
4utv
RCSB PDB
PDBbind
9-mer
4utx
RCSB PDB
PDBbind
9-mer
4uu7
RCSB PDB
PDBbind
9-mer
4uu8
RCSB PDB
PDBbind
9-mer
4uua
RCSB PDB
PDBbind
9-mer
4uub
RCSB PDB
PDBbind
9-mer
4x3h
RCSB PDB
PDBbind
9-mer
4y5i
RCSB PDB
PDBbind
9-mer
4yoz
RCSB PDB
PDBbind
9-mer
5apr
RCSB PDB
PDBbind
9-mer
5brz
RCSB PDB
PDBbind
9-mer
5bs0
RCSB PDB
PDBbind
9-mer
5cvd
RCSB PDB
PDBbind
9-mer
5d0j
RCSB PDB
PDBbind
9-mer
5dms
RCSB PDB
PDBbind
9-mer
5e4w
RCSB PDB
PDBbind
9-mer
5eel
RCSB PDB
PDBbind
9-mer
5eok
RCSB PDB
PDBbind
9-mer
5fjw
RCSB PDB
PDBbind
9-mer
5gu4
RCSB PDB
PDBbind
9-mer
5hda
RCSB PDB
PDBbind
9-mer
5heb
RCSB PDB
PDBbind
9-mer
5hed
RCSB PDB
PDBbind
9-mer
5hey
RCSB PDB
PDBbind
9-mer
5hf1
RCSB PDB
PDBbind
9-mer
5hfb
RCSB PDB
PDBbind
9-mer
5hfc
RCSB PDB
PDBbind
9-mer
5hff
RCSB PDB
PDBbind
9-mer
5hjc
RCSB PDB
PDBbind
9-mer
5hkh
RCSB PDB
PDBbind
9-mer
5i8c
RCSB PDB
PDBbind
9-mer
5isz
RCSB PDB
PDBbind
9-mer
5jhd
RCSB PDB
PDBbind
9-mer
5lb7
RCSB PDB
PDBbind
9-mer
5lgs
RCSB PDB
PDBbind
9-mer
5nme
RCSB PDB
PDBbind
9-mer
5nmf
RCSB PDB
PDBbind
9-mer
5nmg
RCSB PDB
PDBbind
9-mer
5npr
RCSB PDB
PDBbind
9-mer
5nps
RCSB PDB
PDBbind
9-mer
5swf
RCSB PDB
PDBbind
9-mer
5u98
RCSB PDB
PDBbind
9-mer
5w1v
RCSB PDB
PDBbind
9-mer
5w1w
RCSB PDB
PDBbind
9-mer
5w7x
RCSB PDB
PDBbind
9-mer
5yc3
RCSB PDB
PDBbind
9-mer
5yc4
RCSB PDB
PDBbind
9-mer
5ygf
RCSB PDB
PDBbind
9-mer
5yy4
RCSB PDB
PDBbind
9-mer
5zia
RCSB PDB
PDBbind
9-mer
6bj2
RCSB PDB
PDBbind
9-mer
6bj3
RCSB PDB
PDBbind
9-mer
6c4u
RCSB PDB
PDBbind
9-mer
6evm
RCSB PDB
PDBbind
9-mer
6evn
RCSB PDB
PDBbind
9-mer
6evo
RCSB PDB
PDBbind
9-mer
6evp
RCSB PDB
PDBbind
9-mer
6fdp
RCSB PDB
PDBbind
9-mer
6fdt
RCSB PDB
PDBbind
9-mer
6qts
RCSB PDB
PDBbind
9-mer
6qtq
RCSB PDB
PDBbind
9-mer
6q38
RCSB PDB
PDBbind
9-mer
6o9c
RCSB PDB
PDBbind
9-mer
6o9b
RCSB PDB
PDBbind
9-mer
6ncp
RCSB PDB
PDBbind
9-mer
6mt6
RCSB PDB
PDBbind
9-mer
6mt5
RCSB PDB
PDBbind
9-mer
6mt4
RCSB PDB
PDBbind
9-mer
6i7a
RCSB PDB
PDBbind
9-mer
6i68
RCSB PDB
PDBbind
9-mer
6i5p
RCSB PDB
PDBbind
9-mer
6i41
RCSB PDB
PDBbind
9-mer
6hlb
RCSB PDB
PDBbind
9-mer
6eqa
RCSB PDB
PDBbind
9-mer
6d78
RCSB PDB
PDBbind
9-mer
6aee
RCSB PDB
PDBbind
9-mer
5y5w
RCSB PDB
PDBbind
9-mer
5wlg
RCSB PDB
PDBbind
9-mer
5u1q
RCSB PDB
PDBbind
9-mer
5u06
RCSB PDB
PDBbind
9-mer
5tyi
RCSB PDB
PDBbind
9-mer
5iza
RCSB PDB
PDBbind
9-mer
5iz9
RCSB PDB
PDBbind
9-mer
5iz6
RCSB PDB
PDBbind
9-mer
6a9c
RCSB PDB
PDBbind
9-mer
5b6g
RCSB PDB
PDBbind
9-mer
Entry Information
PDB ID
5yvx
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
SDG8-CW
Ligand Name
9-mer
EC.Number
E.C.-.-.-.-
Resolution
1.59(Å)
Affinity (Kd/Ki/IC50)
Kd=1.29uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) J. Biol. Chem. Vol. 293: pp. 6470-6481
Ligand Properties
Formula
C
3
2
H
6
3
N
1
2
O
1
1
Molecular Weight
791.916
Exact Mass
791.474
No. of atoms
118
No. of bonds
117
Polar Surface Area
405.71
LOGP Value
-4.85 (
Computed with XLOGP3
)
-5.40 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 11
No. of Hydrogen Bond Acceptors: 11
No. of Rotatable Bonds: 34
No. of Nitrogen and Oxygen Atoms: 23
No. of Rings: 0
Canonical SMILES
C[NH2+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)[C@H](O)C)CCC(=O)N)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C)CCC[NH+]=C(N)N
InChI String
InChI=1S/C32H60N12O11/c1-15(33)25(48)40-20(10-8-14-38-32(35)36)27(50)44-24(18(4)46)30(53)42-19(9-6-7-13-37-5)26(49)41-21(11-12-22(34)47)28(51)43-23(17(3)45)29(52)39-16(2)31(54)55/h15-21,23-24,37,45-46H,6-14,33H2,1-5H3,(H2,34,47)(H,39,52)(H,40,48)(H,41,49)(H,42,53)(H,43,51)(H,44,50)(H,54,55)(H4,35,36,38)/p+3/t15-,16-,17+,18+,19-,20-,21-,23-,24-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q2LAE1
P59226
Entrez Gene ID
NCBI Entrez Gene ID:
844066
822357
830903
830904
836661
837440
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com
times since Nov 2007. 
娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓