Browse entries in the PDBbind-CN Database
HEADER 5YC4_COMPLEX COMPND 5YC4_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 60 GLY PRO LEU GLY SER ASP HIS GLY GLU THR LEU CYS GLY SEQRES 2 A 60 ALA CYS GLY ASP SER ASP GLY ALA ASP GLU PHE TRP ILE SEQRES 3 A 60 CYS CYS ASP LEU CYS GLU LYS TRP PHE HIS GLY LYS CYS SEQRES 4 A 60 VAL LYS ILE THR PRO ALA ARG ALA GLU HIS ILE LYS GLN SEQRES 5 A 60 TYR LYS CYS PRO SER CYS SER ASN HET ZN A 1 1 HET ZN A 2 1 HET ALA A 101 169 ATOM 1 N GLY A -4 -7.981 -17.775 1.672 1.00 44.76 N ATOM 2 CA GLY A -4 -7.329 -16.751 2.466 1.00 43.87 C ATOM 3 C GLY A -4 -8.299 -15.686 2.938 1.00 44.72 C ATOM 4 O GLY A -4 -9.224 -15.320 2.214 1.00 46.20 O ATOM 5 HN3 GLY A -4 -8.414 -17.338 0.834 1.00 0.00 H ATOM 6 HN2 GLY A -4 -8.717 -18.238 2.243 1.00 0.00 H ATOM 7 HN1 GLY A -4 -7.278 -18.480 1.373 1.00 0.00 H ATOM 8 N PRO A -3 -8.085 -15.174 4.158 1.00 40.20 N ATOM 9 CA PRO A -3 -8.961 -14.164 4.764 1.00 39.92 C ATOM 10 C PRO A -3 -8.947 -12.840 4.003 1.00 39.22 C ATOM 11 O PRO A -3 -7.893 -12.403 3.540 1.00 44.42 O ATOM 12 CB PRO A -3 -8.375 -13.992 6.168 1.00 43.82 C ATOM 13 CG PRO A -3 -6.945 -14.373 6.020 1.00 49.80 C ATOM 14 CD PRO A -3 -6.931 -15.487 5.018 1.00 52.20 C ATOM 15 N LEU A -2 -10.112 -12.214 3.875 1.00 37.03 N ATOM 16 CA LEU A -2 -10.213 -10.925 3.201 1.00 33.47 C ATOM 17 C LEU A -2 -10.045 -9.791 4.206 1.00 35.49 C ATOM 18 O LEU A -2 -10.476 -9.898 5.354 1.00 35.71 O ATOM 19 CB LEU A -2 -11.551 -10.796 2.468 1.00 31.08 C ATOM 20 CG LEU A -2 -11.906 -11.915 1.485 1.00 32.33 C ATOM 21 CD1 LEU A -2 -13.179 -11.574 0.722 1.00 31.63 C ATOM 22 CD2 LEU A -2 -10.755 -12.198 0.529 1.00 32.55 C ATOM 23 H LEU A -2 -10.971 -12.653 4.264 1.00 0.00 H ATOM 24 N GLY A -1 -9.413 -8.707 3.772 1.00 34.56 N ATOM 25 CA GLY A -1 -9.150 -7.583 4.650 1.00 31.88 C ATOM 26 C GLY A -1 -7.822 -7.737 5.362 1.00 27.33 C ATOM 27 O GLY A -1 -6.961 -8.494 4.919 1.00 37.50 O ATOM 28 H GLY A -1 -9.100 -8.663 2.781 1.00 0.00 H ATOM 29 N SER A 0 -7.657 -7.024 6.471 1.00 27.64 N ATOM 30 CA SER A 0 -6.410 -7.076 7.221 1.00 31.27 C ATOM 31 C SER A 0 -6.594 -6.612 8.660 1.00 32.51 C ATOM 32 O SER A 0 -7.604 -5.998 9.003 1.00 34.21 O ATOM 33 CB SER A 0 -5.342 -6.221 6.534 1.00 32.82 C ATOM 34 OG SER A 0 -5.763 -4.872 6.423 1.00 33.80 O ATOM 35 HG SER A 0 -5.056 -4.342 5.976 1.00 0.00 H ATOM 36 H SER A 0 -8.432 -6.418 6.809 1.00 0.00 H ATOM 37 N ASP A 1 -5.614 -6.923 9.500 1.00 32.73 N ATOM 38 CA ASP A 1 -5.578 -6.413 10.864 1.00 35.00 C ATOM 39 C ASP A 1 -4.888 -5.053 10.845 1.00 36.49 C ATOM 40 O ASP A 1 -3.770 -4.930 10.353 1.00 35.14 O ATOM 41 CB ASP A 1 -4.851 -7.395 11.788 1.00 33.21 C ATOM 42 CG ASP A 1 -4.782 -6.914 13.226 1.00 36.30 C ATOM 43 OD1 ASP A 1 -5.600 -6.057 13.616 1.00 34.65 O ATOM 44 OD2 ASP A 1 -3.909 -7.404 13.973 1.00 37.34 O ATOM 45 H ASP A 1 -4.850 -7.549 9.175 1.00 0.00 H ATOM 46 N HIS A 2 -5.561 -4.029 11.360 1.00 37.54 N ATOM 47 CA HIS A 2 -5.034 -2.668 11.294 1.00 37.55 C ATOM 48 C HIS A 2 -3.750 -2.518 12.108 1.00 44.47 C ATOM 49 O HIS A 2 -2.945 -1.620 11.858 1.00 44.95 O ATOM 50 CB HIS A 2 -6.080 -1.660 11.775 1.00 33.92 C ATOM 51 CG HIS A 2 -5.680 -0.232 11.570 1.00 38.59 C ATOM 52 ND1 HIS A 2 -5.371 0.613 12.615 1.00 41.41 N ATOM 53 CD2 HIS A 2 -5.532 0.500 10.440 1.00 39.13 C ATOM 54 CE1 HIS A 2 -5.055 1.803 12.139 1.00 36.70 C ATOM 55 NE2 HIS A 2 -5.144 1.761 10.821 1.00 41.83 N ATOM 56 H HIS A 2 -6.479 -4.200 11.818 1.00 0.00 H ATOM 57 N GLY A 3 -3.564 -3.405 13.080 1.00 45.24 N ATOM 58 CA GLY A 3 -2.349 -3.424 13.871 1.00 49.54 C ATOM 59 C GLY A 3 -1.366 -4.464 13.368 1.00 53.67 C ATOM 60 O GLY A 3 -0.763 -5.193 14.155 1.00 52.73 O ATOM 61 H GLY A 3 -4.309 -4.103 13.278 1.00 0.00 H ATOM 62 N GLU A 4 -1.204 -4.532 12.050 1.00 49.86 N ATOM 63 CA GLU A 4 -0.302 -5.500 11.432 1.00 43.54 C ATOM 64 C GLU A 4 1.097 -4.946 11.209 1.00 41.20 C ATOM 65 O GLU A 4 1.304 -3.733 11.158 1.00 45.31 O ATOM 66 CB GLU A 4 -0.863 -5.975 10.090 1.00 41.74 C ATOM 67 CG GLU A 4 -1.623 -7.288 10.128 1.00 41.47 C ATOM 68 CD GLU A 4 -2.414 -7.518 8.855 1.00 41.70 C ATOM 69 OE1 GLU A 4 -2.344 -6.654 7.956 1.00 39.29 O ATOM 70 OE2 GLU A 4 -3.105 -8.555 8.750 1.00 43.00 O ATOM 71 H GLU A 4 -1.735 -3.877 11.442 1.00 0.00 H ATOM 72 N THR A 5 2.055 -5.855 11.073 1.00 38.42 N ATOM 73 CA THR A 5 3.404 -5.502 10.662 1.00 37.26 C ATOM 74 C THR A 5 3.732 -6.233 9.368 1.00 36.29 C ATOM 75 O THR A 5 3.753 -7.462 9.331 1.00 37.70 O ATOM 76 CB THR A 5 4.448 -5.855 11.736 1.00 37.73 C ATOM 77 OG1 THR A 5 4.078 -5.259 12.985 1.00 38.27 O ATOM 78 CG2 THR A 5 5.815 -5.347 11.325 1.00 29.94 C ATOM 79 HG1 THR A 5 4.035 -4.276 12.880 1.00 0.00 H ATOM 80 H THR A 5 1.833 -6.852 11.267 1.00 0.00 H ATOM 81 N LEU A 6 3.976 -5.476 8.305 1.00 38.70 N ATOM 82 CA LEU A 6 4.242 -6.071 7.001 1.00 36.28 C ATOM 83 C LEU A 6 5.731 -6.312 6.783 1.00 32.69 C ATOM 84 O LEU A 6 6.558 -5.440 7.051 1.00 32.14 O ATOM 85 CB LEU A 6 3.687 -5.183 5.886 1.00 33.93 C ATOM 86 CG LEU A 6 2.180 -4.923 5.923 1.00 31.74 C ATOM 87 CD1 LEU A 6 1.771 -4.004 4.786 1.00 22.16 C ATOM 88 CD2 LEU A 6 1.405 -6.231 5.862 1.00 32.02 C ATOM 89 H LEU A 6 3.977 -4.441 8.404 1.00 0.00 H ATOM 90 N CYS A 7 6.065 -7.506 6.303 1.00 31.10 N ATOM 91 CA CYS A 7 7.443 -7.847 5.976 1.00 26.56 C ATOM 92 C CYS A 7 7.953 -6.944 4.861 1.00 26.93 C ATOM 93 O CYS A 7 7.250 -6.702 3.881 1.00 30.54 O ATOM 94 CB CYS A 7 7.554 -9.315 5.564 1.00 26.00 C ATOM 95 SG CYS A 7 9.215 -9.827 5.070 1.00 28.15 S ATOM 96 H CYS A 7 5.321 -8.217 6.157 1.00 0.00 H ATOM 97 N GLY A 8 9.175 -6.447 5.011 1.00 26.69 N ATOM 98 CA GLY A 8 9.737 -5.520 4.047 1.00 26.62 C ATOM 99 C GLY A 8 10.176 -6.173 2.750 1.00 32.40 C ATOM 100 O GLY A 8 10.604 -5.487 1.821 1.00 35.13 O ATOM 101 H GLY A 8 9.741 -6.728 5.837 1.00 0.00 H ATOM 102 N ALA A 9 10.068 -7.497 2.682 1.00 30.34 N ATOM 103 CA ALA A 9 10.492 -8.239 1.500 1.00 34.28 C ATOM 104 C ALA A 9 9.303 -8.791 0.714 1.00 36.86 C ATOM 105 O ALA A 9 9.171 -8.536 -0.483 1.00 38.55 O ATOM 106 CB ALA A 9 11.435 -9.370 1.894 1.00 26.85 C ATOM 107 H ALA A 9 9.672 -8.016 3.491 1.00 0.00 H ATOM 108 N CYS A 10 8.441 -9.546 1.388 1.00 35.54 N ATOM 109 CA CYS A 10 7.316 -10.194 0.719 1.00 32.03 C ATOM 110 C CYS A 10 6.020 -9.402 0.867 1.00 32.99 C ATOM 111 O CYS A 10 5.059 -9.625 0.131 1.00 34.12 O ATOM 112 CB CYS A 10 7.123 -11.613 1.257 1.00 31.05 C ATOM 113 SG CYS A 10 6.628 -11.695 2.989 1.00 28.68 S ATOM 114 H CYS A 10 8.570 -9.678 2.411 1.00 0.00 H ATOM 115 N GLY A 11 5.995 -8.482 1.825 1.00 33.07 N ATOM 116 CA GLY A 11 4.837 -7.632 2.032 1.00 28.01 C ATOM 117 C GLY A 11 3.677 -8.330 2.717 1.00 28.12 C ATOM 118 O GLY A 11 2.559 -7.815 2.734 1.00 32.58 O ATOM 119 H GLY A 11 6.825 -8.368 2.441 1.00 0.00 H ATOM 120 N ASP A 12 3.938 -9.503 3.286 1.00 28.26 N ATOM 121 CA ASP A 12 2.901 -10.258 3.985 1.00 28.31 C ATOM 122 C ASP A 12 2.832 -9.898 5.466 1.00 40.18 C ATOM 123 O ASP A 12 3.748 -9.283 6.013 1.00 38.51 O ATOM 124 CB ASP A 12 3.135 -11.761 3.831 1.00 28.84 C ATOM 125 CG ASP A 12 2.592 -12.307 2.526 1.00 41.63 C ATOM 126 OD1 ASP A 12 2.336 -11.506 1.601 1.00 38.24 O ATOM 127 OD2 ASP A 12 2.423 -13.541 2.425 1.00 45.21 O ATOM 128 H ASP A 12 4.901 -9.891 3.232 1.00 0.00 H ATOM 129 N SER A 13 1.737 -10.289 6.109 1.00 41.83 N ATOM 130 CA SER A 13 1.543 -10.022 7.528 1.00 38.76 C ATOM 131 C SER A 13 2.214 -11.094 8.381 1.00 39.04 C ATOM 132 O SER A 13 2.638 -12.131 7.869 1.00 34.63 O ATOM 133 CB SER A 13 0.051 -9.941 7.857 1.00 43.22 C ATOM 134 OG SER A 13 -0.619 -9.069 6.965 1.00 48.98 O ATOM 135 HG SER A 13 -1.580 -9.034 7.199 1.00 0.00 H ATOM 136 H SER A 13 0.998 -10.800 5.585 1.00 0.00 H ATOM 137 N ASP A 14 2.306 -10.839 9.683 1.00 40.41 N ATOM 138 CA ASP A 14 2.919 -11.788 10.606 1.00 38.85 C ATOM 139 C ASP A 14 1.988 -12.966 10.882 1.00 37.83 C ATOM 140 O ASP A 14 0.776 -12.794 11.019 1.00 38.93 O ATOM 141 CB ASP A 14 3.298 -11.093 11.916 1.00 41.40 C ATOM 142 CG ASP A 14 2.122 -10.395 12.566 1.00 51.07 C ATOM 143 OD1 ASP A 14 1.841 -9.236 12.192 1.00 59.23 O ATOM 144 OD2 ASP A 14 1.481 -11.002 13.450 1.00 42.81 O ATOM 145 H ASP A 14 1.932 -9.942 10.052 1.00 0.00 H ATOM 146 N GLY A 15 2.561 -14.163 10.957 1.00 37.78 N ATOM 147 CA GLY A 15 1.786 -15.367 11.196 1.00 26.31 C ATOM 148 C GLY A 15 2.213 -16.102 12.453 1.00 32.07 C ATOM 149 O GLY A 15 2.846 -15.525 13.338 1.00 32.89 O ATOM 150 H GLY A 15 3.592 -14.239 10.841 1.00 0.00 H ATOM 151 N ALA A 16 1.874 -17.384 12.527 1.00 28.79 N ATOM 152 CA ALA A 16 2.145 -18.180 13.719 1.00 24.56 C ATOM 153 C ALA A 16 3.529 -18.822 13.684 1.00 28.23 C ATOM 154 O ALA A 16 3.943 -19.369 12.662 1.00 33.66 O ATOM 155 CB ALA A 16 1.077 -19.247 13.887 1.00 31.20 C ATOM 156 H ALA A 16 1.404 -17.832 11.715 1.00 0.00 H ATOM 157 N ASP A 17 4.229 -18.744 14.815 1.00 30.04 N ATOM 158 CA ASP A 17 5.532 -19.383 15.001 1.00 28.68 C ATOM 159 C ASP A 17 6.525 -18.984 13.912 1.00 28.16 C ATOM 160 O ASP A 17 7.147 -19.837 13.276 1.00 34.37 O ATOM 161 CB ASP A 17 5.370 -20.904 15.048 1.00 23.97 C ATOM 162 CG ASP A 17 6.565 -21.600 15.664 1.00 31.54 C ATOM 163 OD1 ASP A 17 7.390 -20.917 16.306 1.00 34.28 O ATOM 164 OD2 ASP A 17 6.674 -22.836 15.513 1.00 39.00 O ATOM 165 H ASP A 17 3.829 -18.201 15.606 1.00 0.00 H ATOM 166 N GLU A 18 6.660 -17.679 13.702 1.00 29.07 N ATOM 167 CA GLU A 18 7.573 -17.145 12.700 1.00 29.26 C ATOM 168 C GLU A 18 8.671 -16.313 13.350 1.00 32.62 C ATOM 169 O GLU A 18 8.415 -15.563 14.293 1.00 30.77 O ATOM 170 CB GLU A 18 6.815 -16.293 11.681 1.00 26.24 C ATOM 171 CG GLU A 18 5.760 -17.046 10.893 1.00 25.85 C ATOM 172 CD GLU A 18 4.966 -16.134 9.983 1.00 34.85 C ATOM 173 OE1 GLU A 18 5.109 -14.898 10.105 1.00 37.21 O ATOM 174 OE2 GLU A 18 4.197 -16.653 9.147 1.00 36.43 O ATOM 175 H GLU A 18 6.095 -17.017 14.272 1.00 0.00 H ATOM 176 N PHE A 19 9.892 -16.445 12.844 1.00 28.29 N ATOM 177 CA PHE A 19 11.001 -15.640 13.338 1.00 29.56 C ATOM 178 C PHE A 19 11.131 -14.349 12.538 1.00 31.19 C ATOM 179 O PHE A 19 11.196 -14.368 11.311 1.00 29.88 O ATOM 180 CB PHE A 19 12.311 -16.427 13.286 1.00 30.56 C ATOM 181 CG PHE A 19 13.506 -15.641 13.745 1.00 31.15 C ATOM 182 CD1 PHE A 19 13.716 -15.388 15.092 1.00 28.41 C ATOM 183 CD2 PHE A 19 14.420 -15.154 12.827 1.00 29.88 C ATOM 184 CE1 PHE A 19 14.815 -14.663 15.512 1.00 28.43 C ATOM 185 CE2 PHE A 19 15.520 -14.429 13.241 1.00 24.99 C ATOM 186 CZ PHE A 19 15.716 -14.184 14.585 1.00 27.77 C ATOM 187 H PHE A 19 10.059 -17.134 12.083 1.00 0.00 H ATOM 188 N TRP A 20 11.168 -13.226 13.244 1.00 29.56 N ATOM 189 CA TRP A 20 11.264 -11.922 12.604 1.00 25.65 C ATOM 190 C TRP A 20 12.499 -11.172 13.079 1.00 26.63 C ATOM 191 O TRP A 20 13.012 -11.430 14.166 1.00 29.06 O ATOM 192 CB TRP A 20 10.011 -11.093 12.887 1.00 27.97 C ATOM 193 CG TRP A 20 8.799 -11.521 12.114 1.00 25.21 C ATOM 194 CD1 TRP A 20 8.073 -12.664 12.288 1.00 28.79 C ATOM 195 CD2 TRP A 20 8.163 -10.799 11.054 1.00 28.32 C ATOM 196 NE1 TRP A 20 7.028 -12.701 11.395 1.00 27.48 N ATOM 197 CE2 TRP A 20 7.062 -11.567 10.627 1.00 29.22 C ATOM 198 CE3 TRP A 20 8.420 -9.578 10.422 1.00 26.45 C ATOM 199 CZ2 TRP A 20 6.219 -11.153 9.598 1.00 29.80 C ATOM 200 CZ3 TRP A 20 7.581 -9.170 9.400 1.00 26.00 C ATOM 201 CH2 TRP A 20 6.495 -9.955 8.997 1.00 27.10 C ATOM 202 HE1 TRP A 20 6.327 -13.465 11.316 1.00 0.00 H ATOM 203 H TRP A 20 11.127 -13.279 14.282 1.00 0.00 H ATOM 204 N ILE A 21 12.970 -10.243 12.258 1.00 22.92 N ATOM 205 CA ILE A 21 14.104 -9.406 12.623 1.00 25.62 C ATOM 206 C ILE A 21 13.900 -7.997 12.068 1.00 24.80 C ATOM 207 O ILE A 21 13.376 -7.822 10.966 1.00 21.80 O ATOM 208 CB ILE A 21 15.437 -10.011 12.121 1.00 23.99 C ATOM 209 CG1 ILE A 21 16.630 -9.212 12.651 1.00 20.29 C ATOM 210 CG2 ILE A 21 15.456 -10.109 10.605 1.00 21.64 C ATOM 211 CD1 ILE A 21 17.968 -9.856 12.371 1.00 25.55 C ATOM 212 H ILE A 21 12.518 -10.109 11.331 1.00 0.00 H ATOM 213 N CYS A 22 14.287 -6.992 12.847 1.00 25.83 N ATOM 214 CA CYS A 22 14.049 -5.606 12.470 1.00 27.12 C ATOM 215 C CYS A 22 15.349 -4.874 12.160 1.00 24.74 C ATOM 216 O CYS A 22 16.339 -5.020 12.874 1.00 23.95 O ATOM 217 CB CYS A 22 13.290 -4.878 13.584 1.00 23.25 C ATOM 218 SG CYS A 22 12.643 -3.252 13.127 1.00 27.79 S ATOM 219 H CYS A 22 14.770 -7.200 13.744 1.00 0.00 H ATOM 220 N CYS A 23 15.338 -4.086 11.091 1.00 25.49 N ATOM 221 CA CYS A 23 16.485 -3.257 10.747 1.00 29.54 C ATOM 222 C CYS A 23 16.579 -2.078 11.708 1.00 30.01 C ATOM 223 O CYS A 23 15.582 -1.421 11.988 1.00 27.39 O ATOM 224 CB CYS A 23 16.384 -2.766 9.303 1.00 22.23 C ATOM 225 SG CYS A 23 17.729 -1.670 8.795 1.00 25.74 S ATOM 226 H CYS A 23 14.492 -4.060 10.487 1.00 0.00 H ATOM 227 N ASP A 24 17.779 -1.811 12.213 1.00 26.75 N ATOM 228 CA ASP A 24 17.963 -0.759 13.210 1.00 26.20 C ATOM 229 C ASP A 24 18.046 0.637 12.599 1.00 30.69 C ATOM 230 O ASP A 24 18.075 1.634 13.321 1.00 24.51 O ATOM 231 CB ASP A 24 19.220 -1.027 14.041 1.00 24.06 C ATOM 232 CG ASP A 24 18.974 -2.009 15.170 1.00 31.11 C ATOM 233 OD1 ASP A 24 17.800 -2.189 15.558 1.00 28.93 O ATOM 234 OD2 ASP A 24 19.953 -2.594 15.678 1.00 34.74 O ATOM 235 H ASP A 24 18.602 -2.361 11.893 1.00 0.00 H ATOM 236 N LEU A 25 18.077 0.713 11.272 1.00 31.69 N ATOM 237 CA LEU A 25 18.239 1.999 10.603 1.00 31.61 C ATOM 238 C LEU A 25 16.938 2.538 10.017 1.00 30.44 C ATOM 239 O LEU A 25 16.652 3.731 10.128 1.00 35.67 O ATOM 240 CB LEU A 25 19.297 1.893 9.504 1.00 33.23 C ATOM 241 CG LEU A 25 20.724 1.650 9.998 1.00 34.55 C ATOM 242 CD1 LEU A 25 21.728 1.931 8.891 1.00 46.69 C ATOM 243 CD2 LEU A 25 21.025 2.492 11.231 1.00 38.93 C ATOM 244 H LEU A 25 17.985 -0.154 10.705 1.00 0.00 H ATOM 245 N CYS A 26 16.155 1.666 9.393 1.00 26.46 N ATOM 246 CA CYS A 26 14.899 2.086 8.781 1.00 28.50 C ATOM 247 C CYS A 26 13.698 1.526 9.539 1.00 31.17 C ATOM 248 O CYS A 26 12.552 1.856 9.234 1.00 28.95 O ATOM 249 CB CYS A 26 14.845 1.657 7.314 1.00 26.42 C ATOM 250 SG CYS A 26 14.551 -0.104 7.054 1.00 28.88 S ATOM 251 H CYS A 26 16.442 0.668 9.340 1.00 0.00 H ATOM 252 N GLU A 27 13.980 0.675 10.523 1.00 32.73 N ATOM 253 CA GLU A 27 12.966 0.104 11.412 1.00 30.99 C ATOM 254 C GLU A 27 11.881 -0.688 10.688 1.00 28.50 C ATOM 255 O GLU A 27 10.735 -0.737 11.136 1.00 38.69 O ATOM 256 CB GLU A 27 12.328 1.207 12.259 1.00 31.92 C ATOM 257 CG GLU A 27 13.281 1.819 13.274 1.00 34.32 C ATOM 258 CD GLU A 27 12.611 2.843 14.168 1.00 45.76 C ATOM 259 OE1 GLU A 27 12.229 3.920 13.662 1.00 47.71 O ATOM 260 OE2 GLU A 27 12.470 2.571 15.380 1.00 48.94 O ATOM 261 H GLU A 27 14.973 0.401 10.668 1.00 0.00 H ATOM 262 N LYS A 28 12.249 -1.314 9.574 1.00 27.88 N ATOM 263 CA LYS A 28 11.352 -2.237 8.888 1.00 29.40 C ATOM 264 C LYS A 28 11.527 -3.649 9.440 1.00 27.28 C ATOM 265 O LYS A 28 12.616 -4.021 9.883 1.00 27.43 O ATOM 266 CB LYS A 28 11.603 -2.229 7.379 1.00 29.60 C ATOM 267 CG LYS A 28 11.146 -0.966 6.665 1.00 33.88 C ATOM 268 CD LYS A 28 11.450 -1.047 5.176 1.00 39.48 C ATOM 269 CE LYS A 28 11.103 0.249 4.460 1.00 48.32 C ATOM 270 NZ LYS A 28 11.550 0.237 3.037 1.00 50.46 N ATOM 271 HZ1 LYS A 28 12.582 0.111 3.000 1.00 0.00 H ATOM 272 HZ2 LYS A 28 11.085 -0.547 2.536 1.00 0.00 H ATOM 273 HZ3 LYS A 28 11.294 1.139 2.587 1.00 0.00 H ATOM 274 H LYS A 28 13.197 -1.142 9.183 1.00 0.00 H ATOM 275 N TRP A 29 10.451 -4.428 9.420 1.00 27.22 N ATOM 276 CA TRP A 29 10.506 -5.810 9.878 1.00 21.75 C ATOM 277 C TRP A 29 10.581 -6.773 8.703 1.00 24.70 C ATOM 278 O TRP A 29 10.055 -6.498 7.624 1.00 25.67 O ATOM 279 CB TRP A 29 9.293 -6.145 10.745 1.00 23.13 C ATOM 280 CG TRP A 29 9.401 -5.666 12.158 1.00 27.10 C ATOM 281 CD1 TRP A 29 8.915 -4.495 12.669 1.00 27.10 C ATOM 282 CD2 TRP A 29 10.032 -6.349 13.250 1.00 23.83 C ATOM 283 NE1 TRP A 29 9.205 -4.409 14.010 1.00 24.02 N ATOM 284 CE2 TRP A 29 9.890 -5.532 14.390 1.00 28.26 C ATOM 285 CE3 TRP A 29 10.702 -7.571 13.374 1.00 21.93 C ATOM 286 CZ2 TRP A 29 10.394 -5.898 15.638 1.00 23.46 C ATOM 287 CZ3 TRP A 29 11.202 -7.930 14.615 1.00 24.93 C ATOM 288 CH2 TRP A 29 11.045 -7.097 15.729 1.00 21.94 C ATOM 289 HE1 TRP A 29 8.946 -3.619 14.635 1.00 0.00 H ATOM 290 H TRP A 29 9.550 -4.043 9.070 1.00 0.00 H ATOM 291 N PHE A 30 11.239 -7.906 8.925 1.00 27.09 N ATOM 292 CA PHE A 30 11.413 -8.912 7.886 1.00 24.55 C ATOM 293 C PHE A 30 11.241 -10.317 8.450 1.00 26.28 C ATOM 294 O PHE A 30 11.629 -10.584 9.589 1.00 27.62 O ATOM 295 CB PHE A 30 12.796 -8.786 7.238 1.00 23.91 C ATOM 296 CG PHE A 30 13.093 -7.418 6.686 1.00 24.60 C ATOM 297 CD1 PHE A 30 13.655 -6.436 7.488 1.00 24.95 C ATOM 298 CD2 PHE A 30 12.820 -7.117 5.362 1.00 24.36 C ATOM 299 CE1 PHE A 30 13.930 -5.175 6.981 1.00 29.26 C ATOM 300 CE2 PHE A 30 13.095 -5.860 4.847 1.00 22.98 C ATOM 301 CZ PHE A 30 13.650 -4.887 5.658 1.00 24.26 C ATOM 302 H PHE A 30 11.641 -8.080 9.868 1.00 0.00 H ATOM 303 N HIS A 31 10.656 -11.210 7.655 1.00 29.96 N ATOM 304 CA HIS A 31 10.698 -12.634 7.967 1.00 29.21 C ATOM 305 C HIS A 31 12.149 -13.085 7.987 1.00 30.76 C ATOM 306 O HIS A 31 12.942 -12.660 7.147 1.00 28.57 O ATOM 307 CB HIS A 31 9.925 -13.464 6.939 1.00 27.98 C ATOM 308 CG HIS A 31 8.437 -13.356 7.049 1.00 28.53 C ATOM 309 ND1 HIS A 31 7.683 -12.580 6.196 1.00 32.12 N ATOM 310 CD2 HIS A 31 7.560 -13.946 7.895 1.00 30.09 C ATOM 311 CE1 HIS A 31 6.407 -12.688 6.518 1.00 28.93 C ATOM 312 NE2 HIS A 31 6.305 -13.512 7.546 1.00 31.33 N ATOM 313 H HIS A 31 10.162 -10.887 6.799 1.00 0.00 H ATOM 314 N GLY A 32 12.499 -13.946 8.937 1.00 32.84 N ATOM 315 CA GLY A 32 13.827 -14.528 8.968 1.00 27.34 C ATOM 316 C GLY A 32 14.076 -15.355 7.721 1.00 31.86 C ATOM 317 O GLY A 32 15.191 -15.399 7.203 1.00 32.21 O ATOM 318 H GLY A 32 11.809 -14.207 9.670 1.00 0.00 H ATOM 319 N LYS A 33 13.019 -16.001 7.235 1.00 29.18 N ATOM 320 CA LYS A 33 13.087 -16.827 6.035 1.00 32.62 C ATOM 321 C LYS A 33 13.330 -15.997 4.778 1.00 32.71 C ATOM 322 O LYS A 33 13.993 -16.447 3.844 1.00 40.54 O ATOM 323 CB LYS A 33 11.796 -17.632 5.872 1.00 37.39 C ATOM 324 CG LYS A 33 11.552 -18.669 6.958 1.00 43.29 C ATOM 325 CD LYS A 33 12.562 -19.800 6.878 1.00 48.95 C ATOM 326 CE LYS A 33 12.216 -20.916 7.849 1.00 52.48 C ATOM 327 NZ LYS A 33 10.875 -21.501 7.570 1.00 51.42 N ATOM 328 HZ1 LYS A 33 10.150 -20.760 7.654 1.00 0.00 H ATOM 329 HZ2 LYS A 33 10.862 -21.892 6.606 1.00 0.00 H ATOM 330 HZ3 LYS A 33 10.679 -22.258 8.255 1.00 0.00 H ATOM 331 H LYS A 33 12.109 -15.913 7.730 1.00 0.00 H ATOM 332 N CYS A 34 12.786 -14.786 4.757 1.00 28.64 N ATOM 333 CA CYS A 34 12.881 -13.930 3.581 1.00 33.04 C ATOM 334 C CYS A 34 14.273 -13.331 3.408 1.00 29.56 C ATOM 335 O CYS A 34 14.768 -13.217 2.288 1.00 36.63 O ATOM 336 CB CYS A 34 11.833 -12.820 3.650 1.00 31.89 C ATOM 337 SG CYS A 34 10.150 -13.416 3.390 1.00 30.28 S ATOM 338 H CYS A 34 12.281 -14.441 5.598 1.00 0.00 H ATOM 339 N VAL A 35 14.900 -12.947 4.516 1.00 27.37 N ATOM 340 CA VAL A 35 16.263 -12.426 4.473 1.00 27.69 C ATOM 341 C VAL A 35 17.274 -13.534 4.764 1.00 29.64 C ATOM 342 O VAL A 35 18.460 -13.267 4.969 1.00 28.97 O ATOM 343 CB VAL A 35 16.468 -11.272 5.476 1.00 28.24 C ATOM 344 CG1 VAL A 35 15.685 -10.041 5.038 1.00 21.92 C ATOM 345 CG2 VAL A 35 16.070 -11.705 6.881 1.00 26.37 C ATOM 346 H VAL A 35 14.410 -13.019 5.431 1.00 0.00 H ATOM 347 N LYS A 36 16.783 -14.773 4.779 1.00 33.91 N ATOM 348 CA LYS A 36 17.607 -15.967 4.969 1.00 32.95 C ATOM 349 C LYS A 36 18.418 -15.927 6.262 1.00 30.74 C ATOM 350 O LYS A 36 19.589 -16.307 6.283 1.00 37.36 O ATOM 351 CB LYS A 36 18.544 -16.165 3.774 1.00 36.17 C ATOM 352 CG LYS A 36 17.823 -16.378 2.449 1.00 35.68 C ATOM 353 CD LYS A 36 18.800 -16.685 1.323 1.00 40.84 C ATOM 354 CE LYS A 36 18.108 -16.701 -0.033 1.00 50.49 C ATOM 355 NZ LYS A 36 17.029 -17.726 -0.106 1.00 59.17 N ATOM 356 HZ1 LYS A 36 17.436 -18.669 0.059 1.00 0.00 H ATOM 357 HZ2 LYS A 36 16.312 -17.525 0.620 1.00 0.00 H ATOM 358 HZ3 LYS A 36 16.589 -17.698 -1.048 1.00 0.00 H ATOM 359 H LYS A 36 15.759 -14.898 4.649 1.00 0.00 H ATOM 360 N ILE A 37 17.786 -15.475 7.339 1.00 32.17 N ATOM 361 CA ILE A 37 18.450 -15.397 8.633 1.00 34.06 C ATOM 362 C ILE A 37 17.737 -16.244 9.682 1.00 30.70 C ATOM 363 O ILE A 37 16.572 -16.008 10.001 1.00 31.89 O ATOM 364 CB ILE A 37 18.535 -13.943 9.133 1.00 28.90 C ATOM 365 CG1 ILE A 37 19.349 -13.093 8.157 1.00 30.21 C ATOM 366 CG2 ILE A 37 19.145 -13.898 10.526 1.00 28.18 C ATOM 367 CD1 ILE A 37 19.476 -11.649 8.572 1.00 22.41 C ATOM 368 H ILE A 37 16.795 -15.170 7.257 1.00 0.00 H ATOM 369 N THR A 38 18.448 -17.233 10.210 1.00 31.76 N ATOM 370 CA THR A 38 17.920 -18.088 11.266 1.00 32.98 C ATOM 371 C THR A 38 18.044 -17.392 12.620 1.00 28.37 C ATOM 372 O THR A 38 18.848 -16.471 12.769 1.00 32.24 O ATOM 373 CB THR A 38 18.657 -19.444 11.312 1.00 34.26 C ATOM 374 OG1 THR A 38 20.043 -19.229 11.603 1.00 32.82 O ATOM 375 CG2 THR A 38 18.527 -20.170 9.983 1.00 22.81 C ATOM 376 HG1 THR A 38 20.443 -18.661 10.898 1.00 0.00 H ATOM 377 H THR A 38 19.412 -17.403 9.859 1.00 0.00 H ATOM 378 N PRO A 39 17.234 -17.817 13.607 1.00 32.44 N ATOM 379 CA PRO A 39 17.374 -17.295 14.972 1.00 29.07 C ATOM 380 C PRO A 39 18.792 -17.473 15.509 1.00 32.14 C ATOM 381 O PRO A 39 19.310 -16.593 16.195 1.00 34.52 O ATOM 382 CB PRO A 39 16.378 -18.138 15.772 1.00 29.04 C ATOM 383 CG PRO A 39 15.339 -18.522 14.778 1.00 27.84 C ATOM 384 CD PRO A 39 16.064 -18.705 13.475 1.00 29.52 C ATOM 385 N ALA A 40 19.411 -18.600 15.173 1.00 34.38 N ATOM 386 CA ALA A 40 20.766 -18.909 15.617 1.00 30.26 C ATOM 387 C ALA A 40 21.782 -17.887 15.110 1.00 35.95 C ATOM 388 O ALA A 40 22.690 -17.489 15.839 1.00 40.94 O ATOM 389 CB ALA A 40 21.158 -20.307 15.167 1.00 23.88 C ATOM 390 H ALA A 40 18.912 -19.286 14.572 1.00 0.00 H ATOM 391 N ARG A 41 21.628 -17.472 13.857 1.00 37.29 N ATOM 392 CA ARG A 41 22.526 -16.489 13.264 1.00 32.35 C ATOM 393 C ARG A 41 22.283 -15.102 13.850 1.00 35.10 C ATOM 394 O ARG A 41 23.225 -14.355 14.117 1.00 38.01 O ATOM 395 CB ARG A 41 22.357 -16.455 11.744 1.00 36.69 C ATOM 396 CG ARG A 41 23.156 -15.361 11.054 1.00 38.44 C ATOM 397 CD ARG A 41 22.952 -15.391 9.548 1.00 46.21 C ATOM 398 NE ARG A 41 23.471 -16.619 8.952 1.00 53.56 N ATOM 399 CZ ARG A 41 24.722 -16.771 8.528 1.00 50.88 C ATOM 400 NH1 ARG A 41 25.587 -15.770 8.633 1.00 50.52 N ATOM 401 NH2 ARG A 41 25.109 -17.923 7.998 1.00 41.59 N ATOM 402 HE ARG A 41 22.821 -17.425 8.853 1.00 0.00 H ATOM 403 HH12 ARG A 41 26.565 -15.891 8.301 1.00 0.00 H ATOM 404 HH11 ARG A 41 25.287 -14.865 9.048 1.00 0.00 H ATOM 405 HH22 ARG A 41 26.088 -18.040 7.667 1.00 0.00 H ATOM 406 HH21 ARG A 41 24.434 -18.709 7.913 1.00 0.00 H ATOM 407 H ARG A 41 20.849 -17.858 13.286 1.00 0.00 H ATOM 408 N ALA A 42 21.013 -14.771 14.062 1.00 34.65 N ATOM 409 CA ALA A 42 20.624 -13.458 14.572 1.00 36.76 C ATOM 410 C ALA A 42 21.147 -13.208 15.985 1.00 36.11 C ATOM 411 O ALA A 42 21.201 -12.065 16.440 1.00 34.47 O ATOM 412 CB ALA A 42 19.112 -13.311 14.542 1.00 31.60 C ATOM 413 H ALA A 42 20.271 -15.470 13.858 1.00 0.00 H ATOM 414 N GLU A 43 21.525 -14.280 16.675 1.00 39.90 N ATOM 415 CA GLU A 43 22.072 -14.168 18.023 1.00 42.38 C ATOM 416 C GLU A 43 23.437 -13.488 18.011 1.00 43.07 C ATOM 417 O GLU A 43 23.844 -12.874 18.994 1.00 40.62 O ATOM 418 CB GLU A 43 22.183 -15.546 18.678 1.00 44.60 C ATOM 419 CG GLU A 43 20.850 -16.217 18.962 1.00 62.32 C ATOM 420 CD GLU A 43 21.012 -17.544 19.676 1.00 66.27 C ATOM 421 OE1 GLU A 43 22.152 -18.054 19.733 1.00 61.47 O ATOM 422 OE2 GLU A 43 20.002 -18.074 20.186 1.00 57.84 O ATOM 423 H GLU A 43 21.428 -15.221 16.243 1.00 0.00 H ATOM 424 N HIS A 44 24.138 -13.596 16.888 1.00 43.28 N ATOM 425 CA HIS A 44 25.457 -12.991 16.754 1.00 47.06 C ATOM 426 C HIS A 44 25.379 -11.638 16.053 1.00 45.19 C ATOM 427 O HIS A 44 26.393 -10.963 15.878 1.00 49.71 O ATOM 428 CB HIS A 44 26.399 -13.927 15.995 1.00 49.42 C ATOM 429 CG HIS A 44 26.695 -15.204 16.720 1.00 61.75 C ATOM 430 ND1 HIS A 44 26.837 -16.412 16.071 1.00 60.59 N ATOM 431 CD2 HIS A 44 26.877 -15.460 18.037 1.00 57.22 C ATOM 432 CE1 HIS A 44 27.092 -17.358 16.958 1.00 62.77 C ATOM 433 NE2 HIS A 44 27.122 -16.807 18.158 1.00 64.74 N ATOM 434 H HIS A 44 23.737 -14.124 16.087 1.00 0.00 H ATOM 435 N ILE A 45 24.171 -11.244 15.660 1.00 42.21 N ATOM 436 CA ILE A 45 23.960 -9.943 15.032 1.00 36.51 C ATOM 437 C ILE A 45 23.647 -8.873 16.077 1.00 36.44 C ATOM 438 O ILE A 45 22.622 -8.934 16.757 1.00 33.57 O ATOM 439 CB ILE A 45 22.816 -9.982 13.997 1.00 37.47 C ATOM 440 CG1 ILE A 45 23.087 -11.048 12.932 1.00 29.38 C ATOM 441 CG2 ILE A 45 22.646 -8.618 13.346 1.00 35.04 C ATOM 442 CD1 ILE A 45 21.988 -11.168 11.894 1.00 28.29 C ATOM 443 H ILE A 45 23.358 -11.877 15.803 1.00 0.00 H ATOM 444 N LYS A 46 24.537 -7.893 16.198 1.00 36.42 N ATOM 445 CA LYS A 46 24.376 -6.825 17.181 1.00 36.99 C ATOM 446 C LYS A 46 23.349 -5.798 16.714 1.00 34.87 C ATOM 447 O LYS A 46 22.405 -5.475 17.433 1.00 36.36 O ATOM 448 CB LYS A 46 25.719 -6.145 17.457 1.00 36.52 C ATOM 449 CG LYS A 46 26.796 -7.092 17.966 1.00 40.01 C ATOM 450 CD LYS A 46 28.097 -6.360 18.243 1.00 45.11 C ATOM 451 CE LYS A 46 29.174 -7.320 18.724 1.00 53.21 C ATOM 452 NZ LYS A 46 30.455 -6.619 19.019 1.00 61.51 N ATOM 453 HZ1 LYS A 46 30.799 -6.150 18.157 1.00 0.00 H ATOM 454 HZ2 LYS A 46 30.297 -5.909 19.762 1.00 0.00 H ATOM 455 HZ3 LYS A 46 31.161 -7.311 19.344 1.00 0.00 H ATOM 456 H LYS A 46 25.370 -7.887 15.576 1.00 0.00 H ATOM 457 N GLN A 47 23.539 -5.293 15.500 1.00 32.97 N ATOM 458 CA GLN A 47 22.616 -4.330 14.908 1.00 30.20 C ATOM 459 C GLN A 47 22.302 -4.697 13.463 1.00 34.00 C ATOM 460 O GLN A 47 23.120 -4.478 12.569 1.00 34.49 O ATOM 461 CB GLN A 47 23.197 -2.916 14.969 1.00 32.32 C ATOM 462 CG GLN A 47 23.291 -2.325 16.366 1.00 30.11 C ATOM 463 CD GLN A 47 23.978 -0.974 16.371 1.00 34.03 C ATOM 464 OE1 GLN A 47 25.091 -0.829 15.863 1.00 42.76 O ATOM 465 NE2 GLN A 47 23.313 0.028 16.937 1.00 39.60 N ATOM 466 HE22 GLN A 47 22.375 -0.140 17.354 1.00 0.00 H ATOM 467 HE21 GLN A 47 23.730 0.980 16.963 1.00 0.00 H ATOM 468 H GLN A 47 24.372 -5.593 14.954 1.00 0.00 H ATOM 469 N TYR A 48 21.118 -5.252 13.229 1.00 26.57 N ATOM 470 CA TYR A 48 20.755 -5.671 11.882 1.00 27.47 C ATOM 471 C TYR A 48 20.514 -4.483 10.961 1.00 27.35 C ATOM 472 O TYR A 48 19.799 -3.542 11.306 1.00 24.67 O ATOM 473 CB TYR A 48 19.515 -6.566 11.894 1.00 26.82 C ATOM 474 CG TYR A 48 19.094 -6.986 10.503 1.00 27.08 C ATOM 475 CD1 TYR A 48 19.927 -7.768 9.715 1.00 26.00 C ATOM 476 CD2 TYR A 48 17.871 -6.594 9.974 1.00 24.93 C ATOM 477 CE1 TYR A 48 19.556 -8.149 8.442 1.00 24.94 C ATOM 478 CE2 TYR A 48 17.490 -6.973 8.699 1.00 25.70 C ATOM 479 CZ TYR A 48 18.338 -7.752 7.938 1.00 26.77 C ATOM 480 OH TYR A 48 17.974 -8.138 6.667 1.00 26.41 O ATOM 481 HH TYR A 48 18.696 -8.688 6.271 1.00 0.00 H ATOM 482 H TYR A 48 20.447 -5.388 14.012 1.00 0.00 H ATOM 483 N LYS A 49 21.121 -4.547 9.783 1.00 26.69 N ATOM 484 CA LYS A 49 20.967 -3.518 8.767 1.00 26.62 C ATOM 485 C LYS A 49 20.472 -4.154 7.471 1.00 28.32 C ATOM 486 O LYS A 49 21.207 -4.891 6.813 1.00 30.59 O ATOM 487 CB LYS A 49 22.292 -2.782 8.550 1.00 34.68 C ATOM 488 CG LYS A 49 22.267 -1.710 7.473 1.00 33.88 C ATOM 489 CD LYS A 49 23.550 -0.889 7.496 1.00 37.70 C ATOM 490 CE LYS A 49 24.787 -1.777 7.517 1.00 42.51 C ATOM 491 NZ LYS A 49 26.036 -0.982 7.677 1.00 43.68 N ATOM 492 HZ1 LYS A 49 26.125 -0.316 6.884 1.00 0.00 H ATOM 493 HZ2 LYS A 49 25.997 -0.454 8.572 1.00 0.00 H ATOM 494 HZ3 LYS A 49 26.855 -1.623 7.687 1.00 0.00 H ATOM 495 H LYS A 49 21.730 -5.365 9.578 1.00 0.00 H ATOM 496 N CYS A 50 19.219 -3.873 7.124 1.00 29.79 N ATOM 497 CA CYS A 50 18.562 -4.476 5.967 1.00 29.67 C ATOM 498 C CYS A 50 19.326 -4.190 4.673 1.00 33.55 C ATOM 499 O CYS A 50 20.062 -3.206 4.598 1.00 36.84 O ATOM 500 CB CYS A 50 17.118 -3.969 5.858 1.00 24.06 C ATOM 501 SG CYS A 50 16.929 -2.403 4.977 1.00 29.93 S ATOM 502 H CYS A 50 18.684 -3.194 7.702 1.00 0.00 H ATOM 503 N PRO A 51 19.163 -5.059 3.656 1.00 32.98 N ATOM 504 CA PRO A 51 19.844 -4.921 2.360 1.00 35.28 C ATOM 505 C PRO A 51 19.710 -3.532 1.732 1.00 35.66 C ATOM 506 O PRO A 51 20.647 -3.059 1.088 1.00 40.52 O ATOM 507 CB PRO A 51 19.145 -5.967 1.489 1.00 33.42 C ATOM 508 CG PRO A 51 18.720 -7.015 2.450 1.00 35.12 C ATOM 509 CD PRO A 51 18.348 -6.289 3.711 1.00 27.93 C ATOM 510 N SER A 52 18.562 -2.891 1.918 1.00 31.98 N ATOM 511 CA SER A 52 18.336 -1.564 1.361 1.00 30.46 C ATOM 512 C SER A 52 19.221 -0.517 2.036 1.00 39.47 C ATOM 513 O SER A 52 19.735 0.391 1.383 1.00 43.47 O ATOM 514 CB SER A 52 16.864 -1.175 1.494 1.00 32.34 C ATOM 515 OG SER A 52 16.598 0.041 0.814 1.00 34.91 O ATOM 516 HG SER A 52 15.640 0.271 0.915 1.00 0.00 H ATOM 517 H SER A 52 17.809 -3.346 2.473 1.00 0.00 H ATOM 518 N CYS A 53 19.398 -0.652 3.347 1.00 38.18 N ATOM 519 CA CYS A 53 20.223 0.280 4.109 1.00 35.57 C ATOM 520 C CYS A 53 21.703 -0.078 4.006 1.00 37.88 C ATOM 521 O CYS A 53 22.564 0.643 4.510 1.00 39.87 O ATOM 522 CB CYS A 53 19.788 0.305 5.578 1.00 32.65 C ATOM 523 SG CYS A 53 18.128 0.970 5.864 1.00 36.51 S ATOM 524 H CYS A 53 18.937 -1.442 3.842 1.00 0.00 H ATOM 525 N SER A 54 21.992 -1.195 3.348 1.00 39.61 N ATOM 526 CA SER A 54 23.366 -1.665 3.209 1.00 47.33 C ATOM 527 C SER A 54 23.957 -1.278 1.856 1.00 50.88 C ATOM 528 O SER A 54 24.850 -1.950 1.344 1.00 57.34 O ATOM 529 CB SER A 54 23.434 -3.183 3.393 1.00 41.40 C ATOM 530 OG SER A 54 22.956 -3.569 4.671 1.00 33.00 O ATOM 531 HG SER A 54 22.014 -3.281 4.771 1.00 0.00 H ATOM 532 H SER A 54 21.221 -1.747 2.922 1.00 0.00 H ATOM 533 N ASN A 55 23.453 -0.191 1.281 1.00 50.82 N ATOM 534 CA ASN A 55 23.965 0.305 0.008 1.00 52.96 C ATOM 535 C ASN A 55 24.385 1.769 0.103 1.00 54.68 C ATOM 536 O ASN A 55 24.077 2.447 1.083 1.00 49.85 O ATOM 537 CB ASN A 55 22.919 0.133 -1.095 1.00 44.45 C ATOM 538 CG ASN A 55 22.578 -1.322 -1.356 1.00 51.63 C ATOM 539 OD1 ASN A 55 23.395 -2.214 -1.131 1.00 51.77 O ATOM 540 ND2 ASN A 55 21.363 -1.568 -1.836 1.00 48.47 N ATOM 541 HD22 ASN A 55 20.704 -0.783 -2.011 1.00 0.00 H ATOM 542 HD21 ASN A 55 21.071 -2.546 -2.036 1.00 0.00 H ATOM 543 H ASN A 55 22.676 0.318 1.749 1.00 0.00 H TER 544 ASN A 55 HETATM 545 ZN ZN A 1 8.603 -12.026 4.331 1.00 32.84 ZN HETATM 546 ZN ZN A 2 16.755 -0.817 6.714 1.00 30.18 ZN HETATM 547 O HOH 3 15.374 -2.054 15.032 1.00 29.52 O HETATM 548 O HOH 4 3.330 -14.510 7.434 1.00 29.28 O HETATM 549 O HOH 5 31.729 -7.697 20.922 1.00 30.00 O HETATM 550 O HOH 6 20.153 -4.235 17.860 1.00 25.63 O HETATM 551 O HOH 7 -0.299 -1.700 11.994 1.00 33.13 O HETATM 552 O HOH 8 6.591 -20.281 18.816 1.00 25.49 O HETATM 553 O HOH 9 9.561 -22.355 17.103 1.00 30.00 O HETATM 554 O HOH 10 7.954 -3.455 8.319 1.00 28.87 O HETATM 555 O HOH 11 18.356 -5.049 14.737 1.00 23.24 O HETATM 556 O HOH 12 -6.547 -10.110 2.696 1.00 30.00 O HETATM 557 O HOH 13 20.946 -17.871 8.815 1.00 36.04 O HETATM 558 O HOH 14 17.848 -14.715 17.724 1.00 47.86 O HETATM 559 O HOH 15 5.162 -2.667 13.372 1.00 45.51 O HETATM 560 O HOH 16 19.752 -11.017 18.658 1.00 27.39 O HETATM 561 O HOH 17 -0.956 -9.908 11.946 1.00 45.75 O HETATM 562 O HOH 18 23.625 -4.917 -0.142 1.00 37.39 O HETATM 563 O HOH 19 15.387 -14.890 0.000 1.00 28.49 O HETATM 564 O HOH 20 -1.708 -11.698 9.957 1.00 47.89 O HETATM 565 O HOH 21 10.831 -16.352 9.200 1.00 29.84 O HETATM 566 O HOH 22 -6.014 -13.826 1.804 1.00 42.92 O HETATM 567 O HOH 23 -8.825 -15.926 -0.834 1.00 30.00 O HETATM 568 O HOH 24 6.808 -6.896 -1.809 1.00 41.65 O HETATM 569 O HOH 25 7.545 -2.329 15.731 1.00 35.19 O HETATM 570 O HOH 26 21.812 -18.219 5.018 1.00 30.00 O HETATM 571 O HOH 27 9.822 -18.846 10.668 1.00 36.87 O HETATM 572 O HOH 28 4.253 -12.715 -0.769 1.00 30.00 O HETATM 573 O HOH 29 -1.683 -3.419 6.986 1.00 30.00 O HETATM 574 O HOH 30 3.466 -11.386 -2.620 1.00 36.23 O HETATM 575 O HOH 31 20.681 4.109 14.313 1.00 35.47 O HETATM 576 O HOH 32 21.287 -14.892 21.863 1.00 30.00 O HETATM 577 O HOH 33 15.359 -5.536 1.067 1.00 33.52 O HETATM 578 O HOH 34 15.118 -7.910 1.128 1.00 40.87 O HETATM 579 O HOH 35 13.337 -17.834 17.965 1.00 28.10 O HETATM 580 O HOH 36 2.781 -13.618 18.532 1.00 26.73 O HETATM 581 O HOH 37 11.081 -5.087 20.394 1.00 34.13 O HETATM 582 O HOH 38 9.458 -25.528 15.721 1.00 30.00 O HETATM 583 O HOH 39 9.652 -1.774 21.585 1.00 48.41 O HETATM 584 O HOH 40 13.697 -0.179 18.934 1.00 28.77 O HETATM 585 N ALA A 41 20.507 -8.048 17.967 1.00 0.24 N HETATM 586 CA ALA A 41 19.593 -7.448 17.003 1.00 0.06 C HETATM 587 C ALA A 41 18.164 -7.449 17.531 1.00 0.23 C HETATM 588 O ALA A 41 17.802 -8.283 18.362 1.00 -0.39 O HETATM 589 N ALA A 41 17.354 -6.512 17.049 1.00 -0.26 N HETATM 590 CA ALA A 41 15.953 -6.458 17.442 1.00 0.13 C HETATM 591 C ALA A 41 15.159 -7.546 16.727 1.00 0.20 C HETATM 592 O ALA A 41 14.733 -7.369 15.586 1.00 -0.39 O HETATM 593 N ALA A 41 14.966 -8.673 17.404 1.00 -0.26 N HETATM 594 CA ALA A 41 14.258 -9.802 16.816 1.00 0.16 C HETATM 595 C ALA A 41 12.984 -10.126 17.586 1.00 0.21 C HETATM 596 O ALA A 41 12.723 -9.554 18.644 1.00 -0.39 O HETATM 597 N ALA A 41 12.199 -11.051 17.044 1.00 -0.26 N HETATM 598 CA ALA A 41 10.999 -11.517 17.699 1.00 0.13 C HETATM 599 CB ALA A 41 9.871 -10.462 17.735 1.00 -0.01 C HETATM 600 CG ALA A 41 8.584 -10.908 17.075 1.00 -0.04 C HETATM 601 CD ALA A 41 8.285 -10.025 15.876 1.00 -0.01 C HETATM 602 CE ALA A 41 6.986 -9.269 16.136 1.00 -0.03 C HETATM 603 NZ ALA A 41 6.315 -8.605 14.950 1.00 0.24 N HETATM 604 CM1 ALA A 41 6.389 -9.454 13.725 1.00 -0.04 C HETATM 605 H38 ALA A 41 5.892 -8.938 12.890 1.00 0.08 H HETATM 606 H39 ALA A 41 5.886 -10.414 13.913 1.00 0.08 H HETATM 607 H40 ALA A 41 7.443 -9.636 13.468 1.00 0.08 H HETATM 608 CM2 ALA A 41 6.910 -7.265 14.666 1.00 -0.04 C HETATM 609 H41 ALA A 41 6.855 -6.640 15.570 1.00 0.08 H HETATM 610 H42 ALA A 41 6.352 -6.781 13.851 1.00 0.08 H HETATM 611 H43 ALA A 41 7.962 -7.386 14.368 1.00 0.08 H HETATM 612 CM3 ALA A 41 4.873 -8.416 15.299 1.00 -0.04 C HETATM 613 H44 ALA A 41 4.416 -9.394 15.512 1.00 0.08 H HETATM 614 H45 ALA A 41 4.350 -7.943 14.454 1.00 0.08 H HETATM 615 H46 ALA A 41 4.792 -7.772 16.187 1.00 0.08 H HETATM 616 H36 ALA A 41 7.204 -8.483 16.874 1.00 0.08 H HETATM 617 H37 ALA A 41 6.268 -9.984 16.563 1.00 0.08 H HETATM 618 H34 ALA A 41 8.177 -10.648 14.976 1.00 0.03 H HETATM 619 H35 ALA A 41 9.107 -9.309 15.730 1.00 0.03 H HETATM 620 H32 ALA A 41 7.758 -10.833 17.798 1.00 0.03 H HETATM 621 H33 ALA A 41 8.687 -11.951 16.743 1.00 0.03 H HETATM 622 H30 ALA A 41 10.228 -9.558 17.220 1.00 0.03 H HETATM 623 H31 ALA A 41 9.655 -10.224 18.787 1.00 0.03 H HETATM 624 C ALA A 41 10.476 -12.829 17.113 1.00 0.20 C HETATM 625 O ALA A 41 10.481 -13.099 15.910 1.00 -0.39 O HETATM 626 N ALA A 41 10.031 -13.691 18.022 1.00 -0.26 N HETATM 627 CA ALA A 41 9.417 -14.956 17.645 1.00 0.13 C HETATM 628 C ALA A 41 7.938 -14.928 18.007 1.00 0.20 C HETATM 629 O ALA A 41 7.582 -14.682 19.157 1.00 -0.39 O HETATM 630 N ALA A 41 7.077 -15.172 17.025 1.00 -0.26 N HETATM 631 CA ALA A 41 5.639 -15.138 17.264 1.00 0.16 C HETATM 632 C ALA A 41 5.168 -16.431 17.923 1.00 0.21 C HETATM 633 O ALA A 41 5.840 -17.460 17.846 1.00 -0.39 O HETATM 634 N ALA A 41 4.012 -16.366 18.576 1.00 -0.26 N HETATM 635 CA ALA A 41 3.466 -17.516 19.289 1.00 0.13 C HETATM 636 C ALA A 41 2.801 -18.508 18.343 1.00 0.20 C HETATM 637 O ALA A 41 2.548 -18.201 17.176 1.00 -0.39 O HETATM 638 N ALA A 41 2.523 -19.702 18.856 1.00 -0.26 N HETATM 639 CA ALA A 41 1.798 -20.716 18.103 1.00 0.13 C HETATM 640 C ALA A 41 0.295 -20.474 18.215 1.00 0.20 C HETATM 641 O ALA A 41 -0.141 -19.519 18.859 1.00 -0.39 O HETATM 642 N ALA A 41 -0.495 -21.340 17.590 1.00 -0.27 N HETATM 643 CA ALA A 41 -1.944 -21.179 17.582 1.00 0.09 C HETATM 644 C ALA A 41 -2.591 -21.823 18.805 1.00 0.06 C HETATM 645 O ALA A 41 -2.030 -22.736 19.409 1.00 -0.57 O HETATM 646 OXT ALA A 41 -3.687 -21.443 19.213 1.00 -0.57 O HETATM 647 CB ALA A 41 -2.535 -21.771 16.302 1.00 -0.02 C HETATM 648 CG ALA A 41 -1.982 -21.150 15.031 1.00 -0.04 C HETATM 649 CD ALA A 41 -2.593 -21.780 13.793 1.00 -0.01 C HETATM 650 CE ALA A 41 -2.036 -21.154 12.526 1.00 -0.04 C HETATM 651 NZ ALA A 41 -2.639 -21.749 11.302 1.00 0.22 N HETATM 652 H90 ALA A 41 -2.245 -21.309 10.485 1.00 0.20 H HETATM 653 H91 ALA A 41 -3.636 -21.604 11.314 1.00 0.20 H HETATM 654 H92 ALA A 41 -2.444 -22.738 11.278 1.00 0.20 H HETATM 655 H88 ALA A 41 -0.948 -21.313 12.499 1.00 0.08 H HETATM 656 H89 ALA A 41 -2.249 -20.075 12.539 1.00 0.08 H HETATM 657 H86 ALA A 41 -3.683 -21.633 13.816 1.00 0.03 H HETATM 658 H87 ALA A 41 -2.368 -22.857 13.790 1.00 0.03 H HETATM 659 H84 ALA A 41 -0.892 -21.297 15.006 1.00 0.03 H HETATM 660 H85 ALA A 41 -2.207 -20.073 15.032 1.00 0.03 H HETATM 661 H82 ALA A 41 -3.624 -21.617 16.319 1.00 0.03 H HETATM 662 H83 ALA A 41 -2.317 -22.849 16.285 1.00 0.03 H HETATM 663 H81 ALA A 41 -2.168 -20.102 17.603 1.00 0.07 H HETATM 664 H80 ALA A 41 -0.087 -22.119 17.115 1.00 0.19 H HETATM 665 CB ALA A 41 2.157 -22.117 18.602 1.00 -0.01 C HETATM 666 CG ALA A 41 3.613 -22.497 18.384 1.00 -0.02 C HETATM 667 CD ALA A 41 3.989 -23.735 19.185 1.00 0.06 C HETATM 668 NE ALA A 41 5.376 -24.135 18.958 1.00 -0.27 N HETATM 669 CZ ALA A 41 5.744 -25.169 18.208 1.00 0.29 C HETATM 670 NH1 ALA A 41 4.826 -25.919 17.613 1.00 -0.28 N HETATM 671 H76 ALA A 41 5.113 -26.720 17.032 1.00 0.26 H HETATM 672 H77 ALA A 41 3.826 -25.701 17.732 1.00 0.26 H HETATM 673 NH2 ALA A 41 7.030 -25.458 18.057 1.00 -0.28 N HETATM 674 H78 ALA A 41 7.746 -24.878 18.517 1.00 0.26 H HETATM 675 H79 ALA A 41 7.313 -26.262 17.479 1.00 0.26 H HETATM 676 H75 ALA A 41 6.117 -23.579 19.409 1.00 0.26 H HETATM 677 H73 ALA A 41 3.328 -24.563 18.890 1.00 0.07 H HETATM 678 H74 ALA A 41 3.852 -23.520 20.255 1.00 0.07 H HETATM 679 H71 ALA A 41 4.253 -21.659 18.699 1.00 0.03 H HETATM 680 H72 ALA A 41 3.774 -22.700 17.315 1.00 0.03 H HETATM 681 H69 ALA A 41 1.526 -22.845 18.071 1.00 0.03 H HETATM 682 H70 ALA A 41 1.945 -22.165 19.680 1.00 0.03 H HETATM 683 H68 ALA A 41 2.087 -20.639 17.044 1.00 0.08 H HETATM 684 H67 ALA A 41 2.821 -19.911 19.788 1.00 0.19 H HETATM 685 CB ALA A 41 2.474 -17.057 20.347 1.00 -0.02 C HETATM 686 H64 ALA A 41 2.071 -17.933 20.876 1.00 0.03 H HETATM 687 H65 ALA A 41 1.651 -16.509 19.865 1.00 0.03 H HETATM 688 H66 ALA A 41 2.983 -16.397 21.065 1.00 0.03 H HETATM 689 H63 ALA A 41 4.298 -18.030 19.793 1.00 0.08 H HETATM 690 H62 ALA A 41 3.503 -15.505 18.579 1.00 0.19 H HETATM 691 CB ALA A 41 4.850 -14.908 15.962 1.00 0.09 C HETATM 692 OG1 ALA A 41 4.981 -16.052 15.108 1.00 -0.39 O HETATM 693 H58 ALA A 41 4.493 -15.905 14.306 1.00 0.21 H HETATM 694 CG2 ALA A 41 5.366 -13.672 15.239 1.00 -0.03 C HETATM 695 H59 ALA A 41 4.792 -13.523 14.312 1.00 0.03 H HETATM 696 H60 ALA A 41 6.430 -13.808 14.993 1.00 0.03 H HETATM 697 H61 ALA A 41 5.249 -12.792 15.888 1.00 0.03 H HETATM 698 H57 ALA A 41 3.788 -14.761 16.209 1.00 0.06 H HETATM 699 H56 ALA A 41 5.428 -14.302 17.947 1.00 0.08 H HETATM 700 H55 ALA A 41 7.420 -15.382 16.109 1.00 0.19 H HETATM 701 CB ALA A 41 10.117 -16.128 18.337 1.00 0.00 C HETATM 702 CG ALA A 41 9.561 -17.499 17.970 1.00 0.04 C HETATM 703 CD ALA A 41 10.021 -17.975 16.605 1.00 0.17 C HETATM 704 OE1 ALA A 41 11.106 -17.621 16.144 1.00 -0.40 O HETATM 705 NE2 ALA A 41 9.195 -18.785 15.952 1.00 -0.30 N HETATM 706 H53 ALA A 41 9.445 -19.131 15.048 1.00 0.18 H HETATM 707 H54 ALA A 41 8.323 -19.049 16.365 1.00 0.18 H HETATM 708 H51 ALA A 41 8.462 -17.444 17.971 1.00 0.05 H HETATM 709 H52 ALA A 41 9.893 -18.226 18.726 1.00 0.05 H HETATM 710 H49 ALA A 41 10.016 -15.996 19.424 1.00 0.03 H HETATM 711 H50 ALA A 41 11.182 -16.104 18.062 1.00 0.03 H HETATM 712 H48 ALA A 41 9.513 -15.085 16.557 1.00 0.08 H HETATM 713 H47 ALA A 41 10.120 -13.464 18.992 1.00 0.19 H HETATM 714 H29 ALA A 41 11.277 -11.721 18.744 1.00 0.08 H HETATM 715 H28 ALA A 41 12.447 -11.436 16.155 1.00 0.19 H HETATM 716 CB ALA A 41 15.141 -11.062 16.772 1.00 0.09 C HETATM 717 OG1 ALA A 41 15.318 -11.573 18.100 1.00 -0.39 O HETATM 718 H24 ALA A 41 15.863 -12.350 18.069 1.00 0.21 H HETATM 719 CG2 ALA A 41 16.500 -10.741 16.165 1.00 -0.03 C HETATM 720 H25 ALA A 41 17.116 -11.652 16.142 1.00 0.03 H HETATM 721 H26 ALA A 41 17.002 -9.975 16.774 1.00 0.03 H HETATM 722 H27 ALA A 41 16.364 -10.364 15.140 1.00 0.03 H HETATM 723 H23 ALA A 41 14.645 -11.825 16.155 1.00 0.06 H HETATM 724 H22 ALA A 41 13.984 -9.531 15.786 1.00 0.08 H HETATM 725 H21 ALA A 41 15.315 -8.748 18.338 1.00 0.19 H HETATM 726 CB ALA A 41 15.348 -5.086 17.140 1.00 -0.01 C HETATM 727 CG ALA A 41 13.978 -4.891 17.764 1.00 -0.02 C HETATM 728 CD ALA A 41 13.255 -3.681 17.205 1.00 0.06 C HETATM 729 NE ALA A 41 11.967 -3.488 17.865 1.00 -0.27 N HETATM 730 CZ ALA A 41 11.011 -2.678 17.424 1.00 0.29 C HETATM 731 NH1 ALA A 41 11.188 -1.983 16.308 1.00 -0.28 N HETATM 732 H17 ALA A 41 10.445 -1.356 15.969 1.00 0.26 H HETATM 733 H18 ALA A 41 12.069 -2.071 15.781 1.00 0.26 H HETATM 734 NH2 ALA A 41 9.872 -2.570 18.095 1.00 -0.28 N HETATM 735 H19 ALA A 41 9.732 -3.108 18.962 1.00 0.26 H HETATM 736 H20 ALA A 41 9.128 -1.948 17.749 1.00 0.26 H HETATM 737 H16 ALA A 41 11.787 -4.016 18.731 1.00 0.26 H HETATM 738 H14 ALA A 41 13.088 -3.828 16.128 1.00 0.07 H HETATM 739 H15 ALA A 41 13.877 -2.787 17.361 1.00 0.07 H HETATM 740 H12 ALA A 41 14.100 -4.760 18.849 1.00 0.03 H HETATM 741 H13 ALA A 41 13.370 -5.787 17.569 1.00 0.03 H HETATM 742 H10 ALA A 41 15.255 -4.976 16.049 1.00 0.03 H HETATM 743 H11 ALA A 41 16.024 -4.311 17.530 1.00 0.03 H HETATM 744 H9 ALA A 41 15.891 -6.634 18.526 1.00 0.08 H HETATM 745 H8 ALA A 41 17.712 -5.834 16.407 1.00 0.19 H HETATM 746 CB ALA A 41 19.665 -8.185 15.673 1.00 -0.00 C HETATM 747 H5 ALA A 41 18.970 -7.720 14.958 1.00 0.03 H HETATM 748 H6 ALA A 41 19.387 -9.239 15.822 1.00 0.03 H HETATM 749 H7 ALA A 41 20.690 -8.129 15.278 1.00 0.03 H HETATM 750 H4 ALA A 41 19.900 -6.404 16.839 1.00 0.11 H HETATM 751 H1 ALA A 41 21.444 -8.035 17.595 1.00 0.20 H HETATM 752 H2 ALA A 41 20.229 -9.000 18.146 1.00 0.20 H HETATM 753 H3 ALA A 41 20.480 -7.523 18.827 1.00 0.20 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 95 94 545 CONECT 113 112 545 CONECT 225 224 546 CONECT 250 249 546 CONECT 309 308 311 545 CONECT 337 336 545 CONECT 501 500 546 CONECT 523 522 546 CONECT 545 95 113 309 337 CONECT 546 225 250 501 523 CONECT 585 586 751 752 753 CONECT 586 585 587 746 750 CONECT 587 586 588 589 CONECT 588 587 CONECT 589 587 590 745 CONECT 590 589 591 726 744 CONECT 591 590 592 593 CONECT 592 591 CONECT 593 591 594 725 CONECT 594 593 595 716 724 CONECT 595 594 596 597 CONECT 596 595 CONECT 597 595 598 715 CONECT 598 597 599 624 714 CONECT 599 598 600 622 623 CONECT 600 599 601 620 621 CONECT 601 600 602 618 619 CONECT 602 601 603 616 617 CONECT 603 602 604 608 612 CONECT 604 603 605 606 607 CONECT 605 604 CONECT 606 604 CONECT 607 604 CONECT 608 603 609 610 611 CONECT 609 608 CONECT 610 608 CONECT 611 608 CONECT 612 603 613 614 615 CONECT 613 612 CONECT 614 612 CONECT 615 612 CONECT 616 602 CONECT 617 602 CONECT 618 601 CONECT 619 601 CONECT 620 600 CONECT 621 600 CONECT 622 599 CONECT 623 599 CONECT 624 598 625 626 CONECT 625 624 CONECT 626 624 627 713 CONECT 627 626 628 701 712 CONECT 628 627 629 630 CONECT 629 628 CONECT 630 628 631 700 CONECT 631 630 632 691 699 CONECT 632 631 633 634 CONECT 633 632 CONECT 634 632 635 690 CONECT 635 634 636 685 689 CONECT 636 635 637 638 CONECT 637 636 CONECT 638 636 639 684 CONECT 639 638 640 665 683 CONECT 640 639 641 642 CONECT 641 640 CONECT 642 640 643 664 CONECT 643 642 644 647 663 CONECT 644 643 645 646 CONECT 645 644 CONECT 646 644 CONECT 647 643 648 661 662 CONECT 648 647 649 659 660 CONECT 649 648 650 657 658 CONECT 650 649 651 655 656 CONECT 651 650 652 653 654 CONECT 652 651 CONECT 653 651 CONECT 654 651 CONECT 655 650 CONECT 656 650 CONECT 657 649 CONECT 658 649 CONECT 659 648 CONECT 660 648 CONECT 661 647 CONECT 662 647 CONECT 663 643 CONECT 664 642 CONECT 665 639 666 681 682 CONECT 666 665 667 679 680 CONECT 667 666 668 677 678 CONECT 668 667 669 676 CONECT 669 668 670 673 CONECT 670 669 671 672 CONECT 671 670 CONECT 672 670 CONECT 673 669 674 675 CONECT 674 673 CONECT 675 673 CONECT 676 668 CONECT 677 667 CONECT 678 667 CONECT 679 666 CONECT 680 666 CONECT 681 665 CONECT 682 665 CONECT 683 639 CONECT 684 638 CONECT 685 635 686 687 688 CONECT 686 685 CONECT 687 685 CONECT 688 685 CONECT 689 635 CONECT 690 634 CONECT 691 631 692 694 698 CONECT 692 691 693 CONECT 693 692 CONECT 694 691 695 696 697 CONECT 695 694 CONECT 696 694 CONECT 697 694 CONECT 698 691 CONECT 699 631 CONECT 700 630 CONECT 701 627 702 710 711 CONECT 702 701 703 708 709 CONECT 703 702 704 705 CONECT 704 703 CONECT 705 703 706 707 CONECT 706 705 CONECT 707 705 CONECT 708 702 CONECT 709 702 CONECT 710 701 CONECT 711 701 CONECT 712 627 CONECT 713 626 CONECT 714 598 CONECT 715 597 CONECT 716 594 717 719 723 CONECT 717 716 718 CONECT 718 717 CONECT 719 716 720 721 722 CONECT 720 719 CONECT 721 719 CONECT 722 719 CONECT 723 716 CONECT 724 594 CONECT 725 593 CONECT 726 590 727 742 743 CONECT 727 726 728 740 741 CONECT 728 727 729 738 739 CONECT 729 728 730 737 CONECT 730 729 731 734 CONECT 731 730 732 733 CONECT 732 731 CONECT 733 731 CONECT 734 730 735 736 CONECT 735 734 CONECT 736 734 CONECT 737 729 CONECT 738 728 CONECT 739 728 CONECT 740 727 CONECT 741 727 CONECT 742 726 CONECT 743 726 CONECT 744 590 CONECT 745 589 CONECT 746 586 747 748 749 CONECT 747 746 CONECT 748 746 CONECT 749 746 CONECT 750 586 CONECT 751 585 CONECT 752 585 CONECT 753 585 MASTER 0 0 0 0 0 0 0 0 752 1 183 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: 5yc4
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5yc3
RCSB PDB
PDBbind
60aa, >5YC3_1|Chain... *
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
5ygf
RCSB PDB
PDBbind
9-mer
5yvx
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
5yc4
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
PHD finger protein ALFIN-LIKE 3
Ligand Name
9-mer
EC.Number
E.C.-.-.-.-
Resolution
2.7(Å)
Affinity (Kd/Ki/IC50)
Kd=12.1uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Cell Rep Vol. : pp. -
Ligand Properties
Formula
C
4
6
H
9
3
N
1
8
O
1
3
Molecular Weight
1106.340
Exact Mass
1105.720
No. of atoms
170
No. of bonds
169
Polar Surface Area
540.95
LOGP Value
-4.20 (
Computed with XLOGP3
)
-6.19 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 13
No. of Hydrogen Bond Acceptors: 13
No. of Rotatable Bonds: 48
No. of Nitrogen and Oxygen Atoms: 31
No. of Rings: 0
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C)CCC[NH+]=C(N)N)CCCC[N+](C)(C)C)CCC(=O)N)C)CCC[NH+]=C(N)N
InChI String
InChI=1S/C46H88N18O13/c1-24(48)36(68)57-30(17-13-22-55-46(52)53)40(72)63-35(27(4)66)43(75)60-28(14-9-11-23-64(5,6)7)38(70)59-31(18-19-33(49)67)41(73)62-34(26(3)65)42(74)56-25(2)37(69)58-29(16-12-21-54-45(50)51)39(71)61-32(44(76)77)15-8-10-20-47/h24-32,34-35,65-66H,8-23,47-48H2,1-7H3,(H18-,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,67,68,69,70,71,72,73,74,75,76,77)/p+5/t24-,25-,26+,27+,28-,29-,30-,31-,32-,34-,35-/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):
Q9M2B4
P59226
Entrez Gene ID
NCBI Entrez Gene ID:
823316
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