Browse entries in the PDBbind-CN Database
HEADER 5OH4_COMPLEX COMPND 5OH4_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 105 ALA SER ILE PHE ARG CYS ARG GLN CYS GLY GLN THR ILE SEQRES 2 A 105 SER ARG ARG ASP TRP LEU LEU PRO MET GLY GLY ASP HIS SEQRES 3 A 105 GLU HIS VAL VAL PHE ASN PRO ALA GLY MET ILE PHE ARG SEQRES 4 A 105 VAL TRP CYS PHE SER LEU ALA GLN GLY LEU ARG LEU ILE SEQRES 5 A 105 GLY ALA PRO SER GLY GLU PHE SER TRP PHE LYS GLY TYR SEQRES 6 A 105 ASP TRP THR ILE ALA LEU CYS GLY GLN CYS GLY SER HIS SEQRES 7 A 105 LEU GLY TRP HIS TYR GLU GLY GLY SER GLN PRO GLN THR SEQRES 8 A 105 PHE PHE GLY LEU ILE LYS ASP ARG LEU ALA GLU GLY PRO SEQRES 9 A 105 ALA HET ZN A 1 1 HET UNN A 136 15 ATOM 1 N ALA A 19 16.545 13.012 21.046 1.00 59.28 N ATOM 2 CA ALA A 19 17.167 12.898 19.679 1.00 58.08 C ATOM 3 C ALA A 19 16.161 12.956 18.507 1.00 56.67 C ATOM 4 O ALA A 19 16.025 12.010 17.724 1.00 57.97 O ATOM 5 CB ALA A 19 17.991 11.623 19.577 1.00 61.24 C ATOM 6 HN3 ALA A 19 15.873 12.231 21.186 1.00 0.00 H ATOM 7 HN2 ALA A 19 16.044 13.920 21.123 1.00 0.00 H ATOM 8 HN1 ALA A 19 17.290 12.964 21.770 1.00 0.00 H ATOM 9 N SER A 20 15.471 14.074 18.371 1.00 51.11 N ATOM 10 CA SER A 20 14.411 14.127 17.421 1.00 47.22 C ATOM 11 C SER A 20 14.366 15.353 16.539 1.00 43.53 C ATOM 12 O SER A 20 13.596 15.328 15.612 1.00 42.83 O ATOM 13 CB SER A 20 13.090 13.958 18.148 1.00 49.03 C ATOM 14 OG SER A 20 12.758 15.152 18.792 1.00 50.15 O ATOM 15 HG SER A 20 11.896 15.041 19.266 1.00 0.00 H ATOM 16 H SER A 20 15.699 14.906 18.951 1.00 0.00 H ATOM 17 N ILE A 21 15.164 16.405 16.756 1.00 40.70 N ATOM 18 CA ILE A 21 15.236 17.411 15.709 1.00 38.60 C ATOM 19 C ILE A 21 16.648 17.580 15.195 1.00 33.46 C ATOM 20 O ILE A 21 17.598 17.295 15.907 1.00 32.36 O ATOM 21 CB ILE A 21 14.685 18.774 16.105 1.00 41.59 C ATOM 22 CG1 ILE A 21 15.544 19.391 17.131 1.00 43.83 C ATOM 23 CG2 ILE A 21 13.245 18.671 16.591 1.00 44.08 C ATOM 24 CD1 ILE A 21 15.516 20.883 17.028 1.00 46.63 C ATOM 25 H ILE A 21 15.710 16.499 17.636 1.00 0.00 H ATOM 26 N PHE A 22 16.756 17.997 13.938 1.00 29.99 N ATOM 27 CA PHE A 22 18.033 18.220 13.307 1.00 28.03 C ATOM 28 C PHE A 22 18.224 19.719 13.206 1.00 25.96 C ATOM 29 O PHE A 22 17.362 20.414 12.692 1.00 23.47 O ATOM 30 CB PHE A 22 18.130 17.559 11.935 1.00 27.90 C ATOM 31 CG PHE A 22 18.119 16.067 11.980 1.00 31.43 C ATOM 32 CD1 PHE A 22 16.931 15.386 11.976 1.00 32.76 C ATOM 33 CD2 PHE A 22 19.298 15.342 12.014 1.00 33.88 C ATOM 34 CE1 PHE A 22 16.902 14.015 12.021 1.00 35.78 C ATOM 35 CE2 PHE A 22 19.269 13.951 12.043 1.00 36.45 C ATOM 36 CZ PHE A 22 18.066 13.299 12.052 1.00 37.26 C ATOM 37 H PHE A 22 15.889 18.169 13.390 1.00 0.00 H ATOM 38 N ARG A 23 19.384 20.176 13.674 1.00 25.41 N ATOM 39 CA ARG A 23 19.793 21.550 13.565 1.00 25.85 C ATOM 40 C ARG A 23 21.038 21.669 12.714 1.00 25.07 C ATOM 41 O ARG A 23 21.729 20.684 12.480 1.00 27.06 O ATOM 42 CB ARG A 23 20.118 22.091 14.973 1.00 28.37 C ATOM 43 CG ARG A 23 18.906 22.240 15.852 1.00 28.40 C ATOM 44 CD ARG A 23 19.278 22.666 17.276 1.00 31.97 C ATOM 45 NE ARG A 23 18.079 22.744 18.108 1.00 33.75 N ATOM 46 CZ ARG A 23 17.121 23.664 18.009 1.00 34.02 C ATOM 47 NH1 ARG A 23 17.238 24.673 17.167 1.00 32.19 N ATOM 48 NH2 ARG A 23 16.051 23.583 18.802 1.00 36.27 N ATOM 49 HE ARG A 23 17.964 22.017 18.842 1.00 0.00 H ATOM 50 HH12 ARG A 23 16.482 25.384 17.100 1.00 0.00 H ATOM 51 HH11 ARG A 23 18.086 24.757 16.571 1.00 0.00 H ATOM 52 HH22 ARG A 23 15.297 24.296 18.733 1.00 0.00 H ATOM 53 HH21 ARG A 23 15.971 22.807 19.489 1.00 0.00 H ATOM 54 H ARG A 23 20.026 19.505 14.142 1.00 0.00 H ATOM 55 N CYS A 24 21.303 22.862 12.195 1.00 24.27 N ATOM 56 CA CYS A 24 22.545 23.115 11.484 1.00 22.93 C ATOM 57 C CYS A 24 23.704 22.905 12.440 1.00 25.19 C ATOM 58 O CYS A 24 23.730 23.426 13.568 1.00 25.47 O ATOM 59 CB CYS A 24 22.569 24.540 10.971 1.00 22.60 C ATOM 60 SG CYS A 24 24.120 25.007 10.161 1.00 25.52 S ATOM 61 H CYS A 24 20.609 23.630 12.299 1.00 0.00 H ATOM 62 N ARG A 25 24.662 22.116 11.999 1.00 26.43 N ATOM 63 CA ARG A 25 25.855 21.813 12.783 1.00 29.02 C ATOM 64 C ARG A 25 26.682 23.064 13.121 1.00 31.09 C ATOM 65 O ARG A 25 27.290 23.126 14.178 1.00 32.66 O ATOM 66 CB ARG A 25 26.744 20.829 12.014 1.00 27.64 C ATOM 67 CG ARG A 25 27.925 20.350 12.839 1.00 27.86 C ATOM 68 CD ARG A 25 28.745 19.288 12.109 1.00 27.43 C ATOM 69 NE ARG A 25 29.999 19.022 12.792 1.00 27.86 N ATOM 70 CZ ARG A 25 30.819 18.080 12.399 1.00 28.20 C ATOM 71 NH1 ARG A 25 30.490 17.331 11.332 1.00 27.46 N ATOM 72 NH2 ARG A 25 31.938 17.881 13.056 1.00 29.65 N ATOM 73 HE ARG A 25 30.254 19.598 13.620 1.00 0.00 H ATOM 74 HH12 ARG A 25 31.131 16.579 11.007 1.00 0.00 H ATOM 75 HH11 ARG A 25 29.595 17.504 10.831 1.00 0.00 H ATOM 76 HH22 ARG A 25 32.595 17.135 12.750 1.00 0.00 H ATOM 77 HH21 ARG A 25 32.168 18.470 13.882 1.00 0.00 H ATOM 78 H ARG A 25 24.564 21.692 11.054 1.00 0.00 H ATOM 79 N GLN A 26 26.733 24.026 12.196 1.00 33.29 N ATOM 80 CA GLN A 26 27.597 25.192 12.337 1.00 35.18 C ATOM 81 C GLN A 26 27.052 26.262 13.278 1.00 31.76 C ATOM 82 O GLN A 26 27.820 26.959 13.915 1.00 36.32 O ATOM 83 CB GLN A 26 27.867 25.837 10.977 1.00 38.21 C ATOM 84 CG GLN A 26 28.691 24.952 10.060 1.00 42.69 C ATOM 85 CD GLN A 26 30.017 24.644 10.758 1.00 47.69 C ATOM 86 OE1 GLN A 26 30.412 23.492 10.929 1.00 47.68 O ATOM 87 NE2 GLN A 26 30.639 25.691 11.292 1.00 53.83 N ATOM 88 HE22 GLN A 26 30.276 26.652 11.126 1.00 0.00 H ATOM 89 HE21 GLN A 26 31.488 25.549 11.876 1.00 0.00 H ATOM 90 H GLN A 26 26.137 23.941 11.348 1.00 0.00 H ATOM 91 N CYS A 27 25.751 26.410 13.330 1.00 28.58 N ATOM 92 CA CYS A 27 25.165 27.535 14.041 1.00 28.77 C ATOM 93 C CYS A 27 23.968 27.201 14.906 1.00 26.81 C ATOM 94 O CYS A 27 23.554 28.017 15.657 1.00 26.70 O ATOM 95 CB CYS A 27 24.771 28.612 13.021 1.00 28.83 C ATOM 96 SG CYS A 27 23.274 28.201 12.075 1.00 29.97 S ATOM 97 H CYS A 27 25.133 25.718 12.860 1.00 0.00 H ATOM 98 N GLY A 28 23.347 26.040 14.724 1.00 26.54 N ATOM 99 CA GLY A 28 22.206 25.637 15.568 1.00 26.11 C ATOM 100 C GLY A 28 20.793 25.931 15.059 1.00 26.37 C ATOM 101 O GLY A 28 19.812 25.619 15.728 1.00 27.11 O ATOM 102 H GLY A 28 23.673 25.402 13.970 1.00 0.00 H ATOM 103 N GLN A 29 20.673 26.540 13.881 1.00 25.33 N ATOM 104 CA GLN A 29 19.368 26.755 13.257 1.00 25.71 C ATOM 105 C GLN A 29 18.592 25.454 13.115 1.00 26.30 C ATOM 106 O GLN A 29 19.147 24.450 12.669 1.00 25.36 O ATOM 107 CB GLN A 29 19.547 27.333 11.854 1.00 25.52 C ATOM 108 CG GLN A 29 18.287 27.460 11.006 1.00 25.33 C ATOM 109 CD GLN A 29 17.715 28.852 11.024 1.00 26.16 C ATOM 110 OE1 GLN A 29 17.501 29.438 12.075 1.00 27.71 O ATOM 111 NE2 GLN A 29 17.479 29.392 9.855 1.00 26.29 N ATOM 112 HE22 GLN A 29 17.676 28.857 8.986 1.00 0.00 H ATOM 113 HE21 GLN A 29 17.094 30.356 9.796 1.00 0.00 H ATOM 114 H GLN A 29 21.529 26.871 13.392 1.00 0.00 H ATOM 115 N THR A 30 17.316 25.497 13.454 1.00 28.04 N ATOM 116 CA THR A 30 16.433 24.360 13.304 1.00 31.64 C ATOM 117 C THR A 30 16.142 24.075 11.838 1.00 30.27 C ATOM 118 O THR A 30 15.692 24.973 11.125 1.00 32.14 O ATOM 119 CB THR A 30 15.121 24.637 14.049 1.00 33.48 C ATOM 120 OG1 THR A 30 15.452 25.117 15.348 1.00 40.07 O ATOM 121 CG2 THR A 30 14.297 23.392 14.170 1.00 35.92 C ATOM 122 HG1 THR A 30 14.620 25.304 15.851 1.00 0.00 H ATOM 123 H THR A 30 16.931 26.381 13.843 1.00 0.00 H ATOM 124 N ILE A 31 16.373 22.836 11.408 1.00 27.68 N ATOM 125 CA ILE A 31 16.204 22.477 10.005 1.00 26.66 C ATOM 126 C ILE A 31 15.134 21.393 9.728 1.00 27.55 C ATOM 127 O ILE A 31 14.287 21.570 8.865 1.00 29.79 O ATOM 128 CB ILE A 31 17.515 21.981 9.408 1.00 25.52 C ATOM 129 CG1 ILE A 31 18.613 22.992 9.592 1.00 24.93 C ATOM 130 CG2 ILE A 31 17.319 21.667 7.913 1.00 26.55 C ATOM 131 CD1 ILE A 31 18.474 24.274 8.790 1.00 24.53 C ATOM 132 H ILE A 31 16.680 22.110 12.086 1.00 0.00 H ATOM 133 N SER A 32 15.191 20.259 10.427 1.00 27.92 N ATOM 134 CA SER A 32 14.245 19.207 10.191 1.00 30.23 C ATOM 135 C SER A 32 14.037 18.318 11.429 1.00 31.46 C ATOM 136 O SER A 32 14.505 18.636 12.517 1.00 33.11 O ATOM 137 CB SER A 32 14.677 18.379 8.978 1.00 30.29 C ATOM 138 OG SER A 32 13.538 17.751 8.395 1.00 32.50 O ATOM 139 HG SER A 32 12.892 18.444 8.107 1.00 0.00 H ATOM 140 H SER A 32 15.928 20.136 11.150 1.00 0.00 H ATOM 141 N ARG A 33 13.255 17.262 11.254 1.00 32.66 N ATOM 142 CA ARG A 33 12.874 16.345 12.313 1.00 35.71 C ATOM 143 C ARG A 33 13.033 14.903 11.828 1.00 35.94 C ATOM 144 O ARG A 33 12.800 14.635 10.643 1.00 34.15 O ATOM 145 CB ARG A 33 11.405 16.585 12.638 1.00 40.43 C ATOM 146 CG ARG A 33 11.107 17.965 13.192 1.00 43.44 C ATOM 147 CD ARG A 33 9.621 18.187 13.393 1.00 47.79 C ATOM 148 NE ARG A 33 8.985 17.144 14.205 1.00 55.33 N ATOM 149 CZ ARG A 33 8.970 17.065 15.538 1.00 59.21 C ATOM 150 NH1 ARG A 33 9.551 18.000 16.300 1.00 58.49 N ATOM 151 NH2 ARG A 33 8.335 16.033 16.113 1.00 58.29 N ATOM 152 HE ARG A 33 8.494 16.386 13.688 1.00 0.00 H ATOM 153 HH12 ARG A 33 9.526 17.916 17.336 1.00 0.00 H ATOM 154 HH11 ARG A 33 10.028 18.811 15.856 1.00 0.00 H ATOM 155 HH22 ARG A 33 8.310 15.950 17.149 1.00 0.00 H ATOM 156 HH21 ARG A 33 7.868 15.316 15.522 1.00 0.00 H ATOM 157 H ARG A 33 12.891 17.079 10.297 1.00 0.00 H ATOM 158 N ARG A 34 13.383 14.002 12.734 1.00 35.22 N ATOM 159 CA ARG A 34 13.471 12.586 12.450 1.00 37.64 C ATOM 160 C ARG A 34 12.160 12.029 11.918 1.00 38.75 C ATOM 161 O ARG A 34 12.137 11.190 11.014 1.00 38.38 O ATOM 162 CB ARG A 34 13.874 11.833 13.730 1.00 41.93 C ATOM 163 CG ARG A 34 14.148 10.366 13.495 1.00 46.36 C ATOM 164 CD ARG A 34 14.994 9.766 14.605 1.00 50.86 C ATOM 165 NE ARG A 34 16.421 9.920 14.289 1.00 52.77 N ATOM 166 CZ ARG A 34 17.171 9.082 13.565 1.00 53.43 C ATOM 167 NH1 ARG A 34 16.683 7.963 13.057 1.00 56.54 N ATOM 168 NH2 ARG A 34 18.441 9.378 13.346 1.00 54.22 N ATOM 169 HE ARG A 34 16.895 10.765 14.666 1.00 0.00 H ATOM 170 HH12 ARG A 34 17.296 7.335 12.499 1.00 0.00 H ATOM 171 HH11 ARG A 34 15.687 7.711 13.216 1.00 0.00 H ATOM 172 HH22 ARG A 34 19.035 8.735 12.785 1.00 0.00 H ATOM 173 HH21 ARG A 34 18.845 10.254 13.735 1.00 0.00 H ATOM 174 H ARG A 34 13.605 14.328 13.696 1.00 0.00 H ATOM 175 N ASP A 35 11.060 12.503 12.498 1.00 39.89 N ATOM 176 CA ASP A 35 9.720 12.190 12.054 1.00 40.85 C ATOM 177 C ASP A 35 9.486 12.435 10.551 1.00 39.50 C ATOM 178 O ASP A 35 8.583 11.835 9.970 1.00 40.59 O ATOM 179 CB ASP A 35 8.720 13.036 12.827 1.00 42.69 C ATOM 180 CG ASP A 35 8.417 12.492 14.202 1.00 47.90 C ATOM 181 OD1 ASP A 35 8.686 11.300 14.489 1.00 51.66 O ATOM 182 OD2 ASP A 35 7.855 13.267 15.007 1.00 51.59 O ATOM 183 H ASP A 35 11.170 13.134 13.317 1.00 0.00 H ATOM 184 N TRP A 36 10.245 13.352 9.949 1.00 36.88 N ATOM 185 CA TRP A 36 10.071 13.733 8.544 1.00 35.36 C ATOM 186 C TRP A 36 11.012 13.013 7.563 1.00 34.82 C ATOM 187 O TRP A 36 10.985 13.286 6.380 1.00 33.82 O ATOM 188 CB TRP A 36 10.256 15.239 8.382 1.00 32.07 C ATOM 189 CG TRP A 36 9.293 16.063 9.193 1.00 32.60 C ATOM 190 CD1 TRP A 36 8.137 15.654 9.745 1.00 34.94 C ATOM 191 CD2 TRP A 36 9.392 17.460 9.475 1.00 31.91 C ATOM 192 NE1 TRP A 36 7.498 16.701 10.362 1.00 35.51 N ATOM 193 CE2 TRP A 36 8.258 17.823 10.222 1.00 34.25 C ATOM 194 CE3 TRP A 36 10.337 18.438 9.165 1.00 32.01 C ATOM 195 CZ2 TRP A 36 8.031 19.139 10.671 1.00 34.87 C ATOM 196 CZ3 TRP A 36 10.134 19.743 9.612 1.00 31.87 C ATOM 197 CH2 TRP A 36 8.992 20.077 10.372 1.00 33.78 C ATOM 198 HE1 TRP A 36 6.584 16.647 10.855 1.00 0.00 H ATOM 199 H TRP A 36 10.994 13.817 10.501 1.00 0.00 H ATOM 200 N LEU A 37 11.811 12.075 8.050 1.00 36.48 N ATOM 201 CA LEU A 37 12.622 11.259 7.173 1.00 36.76 C ATOM 202 C LEU A 37 11.753 10.583 6.141 1.00 39.83 C ATOM 203 O LEU A 37 10.652 10.129 6.441 1.00 41.05 O ATOM 204 CB LEU A 37 13.409 10.219 7.973 1.00 39.28 C ATOM 205 CG LEU A 37 14.624 10.802 8.709 1.00 38.03 C ATOM 206 CD1 LEU A 37 15.174 9.828 9.749 1.00 40.94 C ATOM 207 CD2 LEU A 37 15.692 11.162 7.707 1.00 36.33 C ATOM 208 H LEU A 37 11.856 11.923 9.078 1.00 0.00 H ATOM 209 N LEU A 38 12.275 10.501 4.921 1.00 41.45 N ATOM 210 CA LEU A 38 11.567 9.977 3.765 1.00 45.33 C ATOM 211 C LEU A 38 12.391 8.867 3.092 1.00 47.78 C ATOM 212 O LEU A 38 13.480 9.130 2.563 1.00 46.42 O ATOM 213 CB LEU A 38 11.324 11.126 2.805 1.00 44.65 C ATOM 214 CG LEU A 38 10.663 10.840 1.445 1.00 45.87 C ATOM 215 CD1 LEU A 38 9.279 10.227 1.565 1.00 47.56 C ATOM 216 CD2 LEU A 38 10.592 12.149 0.675 1.00 44.95 C ATOM 217 H LEU A 38 13.251 10.833 4.785 1.00 0.00 H ATOM 218 N PRO A 39 11.887 7.622 3.111 1.00 51.38 N ATOM 219 CA PRO A 39 12.560 6.558 2.346 1.00 54.86 C ATOM 220 C PRO A 39 12.359 6.611 0.815 1.00 55.32 C ATOM 221 O PRO A 39 11.474 5.952 0.314 1.00 59.21 O ATOM 222 CB PRO A 39 11.951 5.261 2.934 1.00 58.35 C ATOM 223 CG PRO A 39 10.641 5.671 3.510 1.00 57.70 C ATOM 224 CD PRO A 39 10.800 7.095 3.961 1.00 54.88 C ATOM 225 N MET A 40 13.195 7.360 0.089 1.00 55.14 N ATOM 226 CA MET A 40 13.159 7.393 -1.386 1.00 55.94 C ATOM 227 C MET A 40 13.827 6.135 -1.918 1.00 57.36 C ATOM 228 O MET A 40 14.949 5.837 -1.541 1.00 58.39 O ATOM 229 CB MET A 40 13.894 8.627 -1.936 1.00 53.89 C ATOM 230 CG MET A 40 13.142 9.948 -1.793 1.00 52.93 C ATOM 231 SD MET A 40 11.807 10.194 -2.967 1.00 57.35 S ATOM 232 CE MET A 40 12.685 9.827 -4.499 1.00 55.46 C ATOM 233 H MET A 40 13.900 7.943 0.584 1.00 0.00 H ATOM 234 N GLY A 41 13.146 5.399 -2.791 1.00 59.37 N ATOM 235 CA GLY A 41 13.690 4.152 -3.331 1.00 61.99 C ATOM 236 C GLY A 41 13.927 3.061 -2.296 1.00 63.46 C ATOM 237 O GLY A 41 14.697 2.135 -2.542 1.00 64.01 O ATOM 238 H GLY A 41 12.204 5.717 -3.098 1.00 0.00 H ATOM 239 N GLY A 42 13.277 3.171 -1.135 1.00 62.92 N ATOM 240 CA GLY A 42 13.384 2.143 -0.085 1.00 63.18 C ATOM 241 C GLY A 42 14.297 2.454 1.096 1.00 59.74 C ATOM 242 O GLY A 42 14.395 1.657 2.014 1.00 58.74 O ATOM 243 H GLY A 42 12.679 4.005 -0.967 1.00 0.00 H ATOM 244 N ASP A 43 14.967 3.600 1.075 1.00 56.25 N ATOM 245 CA ASP A 43 15.915 3.967 2.124 1.00 55.94 C ATOM 246 C ASP A 43 15.999 5.502 2.240 1.00 53.28 C ATOM 247 O ASP A 43 15.998 6.220 1.232 1.00 50.54 O ATOM 248 CB ASP A 43 17.299 3.371 1.794 1.00 58.99 C ATOM 249 CG ASP A 43 18.254 3.313 3.009 1.00 60.98 C ATOM 250 OD1 ASP A 43 17.999 4.004 4.025 1.00 61.38 O ATOM 251 OD2 ASP A 43 19.275 2.589 2.930 1.00 59.71 O ATOM 252 H ASP A 43 14.812 4.259 0.285 1.00 0.00 H ATOM 253 N HIS A 44 16.040 6.019 3.462 1.00 51.83 N ATOM 254 CA HIS A 44 16.247 7.463 3.640 1.00 49.79 C ATOM 255 C HIS A 44 17.700 7.891 3.367 1.00 47.15 C ATOM 256 O HIS A 44 17.929 9.072 3.125 1.00 45.71 O ATOM 257 CB HIS A 44 15.761 7.968 5.027 1.00 48.80 C ATOM 258 CG HIS A 44 16.528 7.411 6.190 1.00 51.43 C ATOM 259 ND1 HIS A 44 16.053 6.378 6.969 1.00 57.07 N ATOM 260 CD2 HIS A 44 17.734 7.740 6.705 1.00 51.09 C ATOM 261 CE1 HIS A 44 16.934 6.091 7.910 1.00 57.53 C ATOM 262 NE2 HIS A 44 17.966 6.902 7.770 1.00 55.82 N ATOM 263 H HIS A 44 15.926 5.403 4.292 1.00 0.00 H ATOM 264 N GLU A 45 18.664 6.963 3.447 1.00 48.02 N ATOM 265 CA GLU A 45 20.092 7.281 3.229 1.00 46.69 C ATOM 266 C GLU A 45 20.513 6.907 1.820 1.00 48.39 C ATOM 267 O GLU A 45 20.293 5.774 1.402 1.00 48.44 O ATOM 268 CB GLU A 45 21.004 6.537 4.182 1.00 47.40 C ATOM 269 CG GLU A 45 22.475 6.905 4.036 1.00 47.20 C ATOM 270 CD GLU A 45 23.323 6.293 5.131 1.00 51.22 C ATOM 271 OE1 GLU A 45 23.412 6.889 6.232 1.00 53.73 O ATOM 272 OE2 GLU A 45 23.912 5.218 4.922 1.00 56.08 O ATOM 273 H GLU A 45 18.398 5.983 3.671 1.00 0.00 H ATOM 274 N HIS A 46 21.088 7.890 1.117 1.00 46.52 N ATOM 275 CA HIS A 46 21.695 7.732 -0.194 1.00 45.23 C ATOM 276 C HIS A 46 23.112 8.292 -0.223 1.00 44.83 C ATOM 277 O HIS A 46 23.344 9.460 0.075 1.00 45.79 O ATOM 278 CB HIS A 46 20.826 8.496 -1.190 1.00 43.78 C ATOM 279 CG HIS A 46 19.438 7.941 -1.307 1.00 46.15 C ATOM 280 ND1 HIS A 46 19.050 7.116 -2.344 1.00 48.22 N ATOM 281 CD2 HIS A 46 18.367 8.023 -0.478 1.00 46.75 C ATOM 282 CE1 HIS A 46 17.795 6.748 -2.173 1.00 48.05 C ATOM 283 NE2 HIS A 46 17.360 7.275 -1.042 1.00 47.80 N ATOM 284 H HIS A 46 21.101 8.839 1.541 1.00 0.00 H ATOM 285 N VAL A 47 24.082 7.471 -0.558 1.00 46.37 N ATOM 286 CA VAL A 47 25.446 7.967 -0.720 1.00 46.80 C ATOM 287 C VAL A 47 25.670 8.263 -2.205 1.00 44.69 C ATOM 288 O VAL A 47 25.470 7.408 -3.034 1.00 44.09 O ATOM 289 CB VAL A 47 26.467 6.941 -0.200 1.00 50.98 C ATOM 290 CG1 VAL A 47 27.890 7.473 -0.338 1.00 52.27 C ATOM 291 CG2 VAL A 47 26.168 6.585 1.257 1.00 50.57 C ATOM 292 H VAL A 47 23.877 6.463 -0.709 1.00 0.00 H ATOM 293 N VAL A 48 26.108 9.472 -2.513 1.00 42.70 N ATOM 294 CA VAL A 48 26.183 9.972 -3.881 1.00 42.86 C ATOM 295 C VAL A 48 27.434 10.809 -4.094 1.00 42.95 C ATOM 296 O VAL A 48 28.099 11.146 -3.120 1.00 43.26 O ATOM 297 CB VAL A 48 24.960 10.840 -4.204 1.00 41.56 C ATOM 298 CG1 VAL A 48 23.708 9.986 -4.186 1.00 42.41 C ATOM 299 CG2 VAL A 48 24.819 11.974 -3.193 1.00 39.89 C ATOM 300 H VAL A 48 26.414 10.098 -1.741 1.00 0.00 H ATOM 301 N PHE A 49 27.771 11.082 -5.357 1.00 44.44 N ATOM 302 CA PHE A 49 28.886 11.977 -5.732 1.00 46.33 C ATOM 303 C PHE A 49 28.434 13.007 -6.750 1.00 43.59 C ATOM 304 O PHE A 49 27.687 12.674 -7.670 1.00 42.75 O ATOM 305 CB PHE A 49 30.061 11.270 -6.418 1.00 53.20 C ATOM 306 CG PHE A 49 30.579 10.097 -5.681 1.00 60.98 C ATOM 307 CD1 PHE A 49 31.526 10.264 -4.665 1.00 64.87 C ATOM 308 CD2 PHE A 49 30.157 8.817 -6.004 1.00 64.93 C ATOM 309 CE1 PHE A 49 32.030 9.169 -3.970 1.00 68.41 C ATOM 310 CE2 PHE A 49 30.656 7.729 -5.314 1.00 68.35 C ATOM 311 CZ PHE A 49 31.593 7.896 -4.298 1.00 69.93 C ATOM 312 H PHE A 49 27.218 10.640 -6.119 1.00 0.00 H ATOM 313 N ASN A 50 28.974 14.211 -6.643 1.00 40.86 N ATOM 314 CA ASN A 50 28.801 15.270 -7.660 1.00 40.30 C ATOM 315 C ASN A 50 29.919 15.259 -8.713 1.00 41.12 C ATOM 316 O ASN A 50 30.842 14.464 -8.607 1.00 42.12 O ATOM 317 CB ASN A 50 28.649 16.636 -6.953 1.00 38.91 C ATOM 318 CG ASN A 50 29.947 17.183 -6.375 1.00 38.88 C ATOM 319 OD1 ASN A 50 31.043 16.713 -6.671 1.00 43.13 O ATOM 320 ND2 ASN A 50 29.822 18.236 -5.606 1.00 36.37 N ATOM 321 HD22 ASN A 50 28.876 18.604 -5.378 1.00 0.00 H ATOM 322 HD21 ASN A 50 30.668 18.704 -5.223 1.00 0.00 H ATOM 323 H ASN A 50 29.548 14.422 -5.802 1.00 0.00 H ATOM 324 N PRO A 51 29.830 16.102 -9.763 1.00 41.72 N ATOM 325 CA PRO A 51 30.867 16.041 -10.808 1.00 44.14 C ATOM 326 C PRO A 51 32.284 16.468 -10.371 1.00 44.73 C ATOM 327 O PRO A 51 33.236 16.250 -11.111 1.00 47.36 O ATOM 328 CB PRO A 51 30.315 16.971 -11.919 1.00 45.10 C ATOM 329 CG PRO A 51 28.859 17.122 -11.637 1.00 42.36 C ATOM 330 CD PRO A 51 28.714 16.984 -10.159 1.00 40.79 C ATOM 331 N ALA A 52 32.405 17.102 -9.204 1.00 42.90 N ATOM 332 CA ALA A 52 33.703 17.401 -8.595 1.00 44.11 C ATOM 333 C ALA A 52 34.210 16.277 -7.680 1.00 43.97 C ATOM 334 O ALA A 52 35.223 16.418 -7.005 1.00 43.18 O ATOM 335 CB ALA A 52 33.626 18.715 -7.834 1.00 43.25 C ATOM 336 H ALA A 52 31.541 17.397 -8.705 1.00 0.00 H ATOM 337 N GLY A 53 33.512 15.147 -7.701 1.00 44.20 N ATOM 338 CA GLY A 53 33.950 13.964 -7.016 1.00 45.84 C ATOM 339 C GLY A 53 33.728 14.027 -5.517 1.00 44.52 C ATOM 340 O GLY A 53 34.225 13.182 -4.800 1.00 45.18 O ATOM 341 H GLY A 53 32.618 15.118 -8.232 1.00 0.00 H ATOM 342 N MET A 54 32.984 15.009 -5.043 1.00 43.66 N ATOM 343 CA MET A 54 32.682 15.109 -3.617 1.00 44.37 C ATOM 344 C MET A 54 31.603 14.113 -3.312 1.00 42.92 C ATOM 345 O MET A 54 30.551 14.107 -3.966 1.00 39.49 O ATOM 346 CB MET A 54 32.206 16.511 -3.195 1.00 44.06 C ATOM 347 CG MET A 54 33.180 17.619 -3.542 1.00 49.58 C ATOM 348 SD MET A 54 32.721 19.241 -2.890 1.00 56.24 S ATOM 349 CE MET A 54 32.440 18.856 -1.151 1.00 49.30 C ATOM 350 H MET A 54 32.606 15.724 -5.696 1.00 0.00 H ATOM 351 N ILE A 55 31.871 13.305 -2.294 1.00 44.66 N ATOM 352 CA ILE A 55 30.951 12.291 -1.840 1.00 46.28 C ATOM 353 C ILE A 55 30.158 12.901 -0.711 1.00 42.67 C ATOM 354 O ILE A 55 30.720 13.558 0.142 1.00 42.97 O ATOM 355 CB ILE A 55 31.670 11.036 -1.301 1.00 51.72 C ATOM 356 CG1 ILE A 55 30.658 10.000 -0.827 1.00 51.22 C ATOM 357 CG2 ILE A 55 32.598 11.381 -0.134 1.00 53.75 C ATOM 358 CD1 ILE A 55 31.269 8.634 -0.585 1.00 55.83 C ATOM 359 H ILE A 55 32.782 13.407 -1.803 1.00 0.00 H ATOM 360 N PHE A 56 28.850 12.710 -0.758 1.00 41.33 N ATOM 361 CA PHE A 56 27.925 13.151 0.266 1.00 38.82 C ATOM 362 C PHE A 56 27.123 11.968 0.705 1.00 39.79 C ATOM 363 O PHE A 56 26.709 11.147 -0.104 1.00 41.34 O ATOM 364 CB PHE A 56 26.948 14.176 -0.267 1.00 35.67 C ATOM 365 CG PHE A 56 27.594 15.397 -0.806 1.00 37.70 C ATOM 366 CD1 PHE A 56 27.920 16.435 0.030 1.00 37.84 C ATOM 367 CD2 PHE A 56 27.871 15.513 -2.159 1.00 39.90 C ATOM 368 CE1 PHE A 56 28.513 17.564 -0.466 1.00 38.06 C ATOM 369 CE2 PHE A 56 28.474 16.646 -2.646 1.00 39.38 C ATOM 370 CZ PHE A 56 28.787 17.677 -1.799 1.00 37.87 C ATOM 371 H PHE A 56 28.461 12.211 -1.583 1.00 0.00 H ATOM 372 N ARG A 57 26.883 11.890 1.993 1.00 41.21 N ATOM 373 CA ARG A 57 25.876 10.982 2.505 1.00 43.13 C ATOM 374 C ARG A 57 24.590 11.757 2.764 1.00 38.35 C ATOM 375 O ARG A 57 24.536 12.584 3.661 1.00 38.73 O ATOM 376 CB ARG A 57 26.405 10.317 3.755 1.00 48.35 C ATOM 377 CG ARG A 57 25.324 9.513 4.425 1.00 54.46 C ATOM 378 CD ARG A 57 25.680 9.091 5.868 1.00 59.95 C ATOM 379 NE ARG A 57 27.019 8.527 6.041 1.00 64.79 N ATOM 380 CZ ARG A 57 27.263 7.301 6.505 1.00 71.50 C ATOM 381 NH1 ARG A 57 26.273 6.477 6.862 1.00 73.82 N ATOM 382 NH2 ARG A 57 28.520 6.896 6.629 1.00 76.32 N ATOM 383 HE ARG A 57 27.833 9.121 5.785 1.00 0.00 H ATOM 384 HH12 ARG A 57 26.492 5.526 7.221 1.00 0.00 H ATOM 385 HH11 ARG A 57 25.284 6.787 6.781 1.00 0.00 H ATOM 386 HH22 ARG A 57 28.726 5.942 6.989 1.00 0.00 H ATOM 387 HH21 ARG A 57 29.300 7.532 6.366 1.00 0.00 H ATOM 388 H ARG A 57 27.421 12.486 2.653 1.00 0.00 H ATOM 389 N VAL A 58 23.577 11.519 1.932 1.00 37.85 N ATOM 390 CA VAL A 58 22.360 12.289 1.911 1.00 35.68 C ATOM 391 C VAL A 58 21.255 11.559 2.662 1.00 36.75 C ATOM 392 O VAL A 58 21.015 10.377 2.432 1.00 38.22 O ATOM 393 CB VAL A 58 21.914 12.570 0.464 1.00 36.07 C ATOM 394 CG1 VAL A 58 20.502 13.125 0.393 1.00 35.32 C ATOM 395 CG2 VAL A 58 22.834 13.589 -0.169 1.00 37.58 C ATOM 396 H VAL A 58 23.670 10.732 1.259 1.00 0.00 H ATOM 397 N TRP A 59 20.576 12.290 3.552 1.00 35.00 N ATOM 398 CA TRP A 59 19.366 11.812 4.193 1.00 34.72 C ATOM 399 C TRP A 59 18.211 12.582 3.561 1.00 34.26 C ATOM 400 O TRP A 59 18.264 13.825 3.404 1.00 32.42 O ATOM 401 CB TRP A 59 19.463 11.996 5.712 1.00 35.29 C ATOM 402 CG TRP A 59 20.184 10.875 6.393 1.00 38.40 C ATOM 403 CD1 TRP A 59 21.118 10.044 5.819 1.00 41.94 C ATOM 404 CD2 TRP A 59 20.039 10.424 7.751 1.00 40.89 C ATOM 405 NE1 TRP A 59 21.555 9.119 6.726 1.00 43.06 N ATOM 406 CE2 TRP A 59 20.905 9.317 7.917 1.00 43.00 C ATOM 407 CE3 TRP A 59 19.248 10.825 8.833 1.00 42.07 C ATOM 408 CZ2 TRP A 59 21.012 8.600 9.135 1.00 46.83 C ATOM 409 CZ3 TRP A 59 19.357 10.115 10.052 1.00 46.28 C ATOM 410 CH2 TRP A 59 20.233 9.005 10.184 1.00 47.09 C ATOM 411 HE1 TRP A 59 22.266 8.383 6.542 1.00 0.00 H ATOM 412 H TRP A 59 20.929 13.238 3.794 1.00 0.00 H ATOM 413 N CYS A 60 17.173 11.847 3.153 1.00 34.26 N ATOM 414 CA CYS A 60 16.005 12.455 2.541 1.00 33.06 C ATOM 415 C CYS A 60 14.922 12.772 3.559 1.00 32.56 C ATOM 416 O CYS A 60 14.542 11.921 4.334 1.00 33.29 O ATOM 417 CB CYS A 60 15.430 11.535 1.479 1.00 35.55 C ATOM 418 SG CYS A 60 16.541 11.185 0.102 1.00 37.86 S ATOM 419 H CYS A 60 17.202 10.815 3.277 1.00 0.00 H ATOM 420 N PHE A 61 14.405 14.002 3.496 1.00 32.78 N ATOM 421 CA PHE A 61 13.366 14.497 4.378 1.00 33.59 C ATOM 422 C PHE A 61 12.217 15.013 3.532 1.00 35.00 C ATOM 423 O PHE A 61 12.431 15.691 2.531 1.00 37.46 O ATOM 424 CB PHE A 61 13.884 15.639 5.250 1.00 31.90 C ATOM 425 CG PHE A 61 14.893 15.213 6.291 1.00 31.54 C ATOM 426 CD1 PHE A 61 16.231 15.211 6.007 1.00 31.92 C ATOM 427 CD2 PHE A 61 14.496 14.874 7.576 1.00 31.75 C ATOM 428 CE1 PHE A 61 17.174 14.823 6.966 1.00 31.54 C ATOM 429 CE2 PHE A 61 15.421 14.497 8.532 1.00 33.63 C ATOM 430 CZ PHE A 61 16.760 14.475 8.226 1.00 32.14 C ATOM 431 H PHE A 61 14.772 14.647 2.767 1.00 0.00 H ATOM 432 N SER A 62 10.988 14.729 3.946 1.00 35.94 N ATOM 433 CA SER A 62 9.853 15.215 3.203 1.00 37.61 C ATOM 434 C SER A 62 9.718 16.706 3.380 1.00 35.21 C ATOM 435 O SER A 62 9.080 17.349 2.584 1.00 36.17 O ATOM 436 CB SER A 62 8.560 14.581 3.700 1.00 40.42 C ATOM 437 OG SER A 62 8.646 13.164 3.657 1.00 44.03 O ATOM 438 HG SER A 62 7.797 12.773 3.983 1.00 0.00 H ATOM 439 H SER A 62 10.845 14.158 4.803 1.00 0.00 H ATOM 440 N LEU A 63 10.214 17.228 4.491 1.00 34.18 N ATOM 441 CA LEU A 63 9.993 18.608 4.861 1.00 34.57 C ATOM 442 C LEU A 63 11.216 19.148 5.567 1.00 32.53 C ATOM 443 O LEU A 63 11.924 18.405 6.244 1.00 30.88 O ATOM 444 CB LEU A 63 8.794 18.602 5.829 1.00 38.31 C ATOM 445 CG LEU A 63 8.070 19.846 6.329 1.00 39.59 C ATOM 446 CD1 LEU A 63 7.724 20.712 5.139 1.00 39.92 C ATOM 447 CD2 LEU A 63 6.823 19.507 7.140 1.00 41.29 C ATOM 448 H LEU A 63 10.782 16.625 5.119 1.00 0.00 H ATOM 449 N ALA A 64 11.448 20.453 5.423 1.00 30.76 N ATOM 450 CA ALA A 64 12.480 21.138 6.167 1.00 29.37 C ATOM 451 C ALA A 64 12.152 22.600 6.308 1.00 29.44 C ATOM 452 O ALA A 64 11.196 23.102 5.705 1.00 30.75 O ATOM 453 CB ALA A 64 13.821 20.968 5.507 1.00 28.29 C ATOM 454 H ALA A 64 10.867 20.996 4.753 1.00 0.00 H ATOM 455 N GLN A 65 12.905 23.264 7.171 1.00 28.86 N ATOM 456 CA GLN A 65 12.708 24.689 7.439 1.00 31.58 C ATOM 457 C GLN A 65 14.067 25.313 7.732 1.00 29.47 C ATOM 458 O GLN A 65 15.044 24.610 7.858 1.00 27.73 O ATOM 459 CB GLN A 65 11.763 24.899 8.637 1.00 35.54 C ATOM 460 CG GLN A 65 12.378 24.431 9.967 1.00 38.18 C ATOM 461 CD GLN A 65 11.466 24.467 11.207 1.00 43.81 C ATOM 462 OE1 GLN A 65 10.671 23.558 11.463 1.00 49.22 O ATOM 463 NE2 GLN A 65 11.642 25.490 12.019 1.00 44.40 N ATOM 464 HE22 GLN A 65 12.320 26.239 11.772 1.00 0.00 H ATOM 465 HE21 GLN A 65 11.103 25.548 12.906 1.00 0.00 H ATOM 466 H GLN A 65 13.661 22.757 7.674 1.00 0.00 H ATOM 467 N GLY A 66 14.116 26.639 7.802 1.00 29.61 N ATOM 468 CA GLY A 66 15.315 27.364 8.135 1.00 29.04 C ATOM 469 C GLY A 66 16.397 27.368 7.090 1.00 30.45 C ATOM 470 O GLY A 66 17.510 27.858 7.341 1.00 32.24 O ATOM 471 H GLY A 66 13.248 27.178 7.607 1.00 0.00 H ATOM 472 N LEU A 67 16.065 26.922 5.890 1.00 31.19 N ATOM 473 CA LEU A 67 17.010 26.923 4.758 1.00 31.19 C ATOM 474 C LEU A 67 16.767 28.155 3.879 1.00 32.44 C ATOM 475 O LEU A 67 15.791 28.884 4.036 1.00 33.19 O ATOM 476 CB LEU A 67 16.847 25.647 3.914 1.00 29.56 C ATOM 477 CG LEU A 67 17.057 24.353 4.681 1.00 28.61 C ATOM 478 CD1 LEU A 67 16.461 23.168 3.963 1.00 28.74 C ATOM 479 CD2 LEU A 67 18.534 24.139 4.937 1.00 30.23 C ATOM 480 H LEU A 67 15.103 26.557 5.739 1.00 0.00 H ATOM 481 N ARG A 68 17.672 28.370 2.947 1.00 33.38 N ATOM 482 CA ARG A 68 17.501 29.388 1.933 1.00 36.22 C ATOM 483 C ARG A 68 17.879 28.706 0.630 1.00 34.07 C ATOM 484 O ARG A 68 18.972 28.192 0.507 1.00 30.86 O ATOM 485 CB ARG A 68 18.393 30.567 2.232 1.00 39.63 C ATOM 486 CG ARG A 68 18.067 31.818 1.475 1.00 48.12 C ATOM 487 CD ARG A 68 18.690 33.010 2.198 1.00 53.76 C ATOM 488 NE ARG A 68 20.157 32.917 2.185 1.00 55.56 N ATOM 489 CZ ARG A 68 20.925 33.271 1.152 1.00 56.57 C ATOM 490 NH1 ARG A 68 20.388 33.773 0.036 1.00 59.30 N ATOM 491 NH2 ARG A 68 22.248 33.142 1.237 1.00 56.24 N ATOM 492 HE ARG A 68 20.628 32.551 3.037 1.00 0.00 H ATOM 493 HH12 ARG A 68 21.001 34.044 -0.760 1.00 0.00 H ATOM 494 HH11 ARG A 68 19.358 33.893 -0.037 1.00 0.00 H ATOM 495 HH22 ARG A 68 22.850 33.417 0.435 1.00 0.00 H ATOM 496 HH21 ARG A 68 22.679 32.767 2.106 1.00 0.00 H ATOM 497 H ARG A 68 18.536 27.791 2.939 1.00 0.00 H ATOM 498 N LEU A 69 16.928 28.628 -0.300 1.00 37.16 N ATOM 499 CA LEU A 69 17.117 27.910 -1.569 1.00 37.97 C ATOM 500 C LEU A 69 17.609 28.870 -2.617 1.00 38.07 C ATOM 501 O LEU A 69 17.039 29.917 -2.790 1.00 40.10 O ATOM 502 CB LEU A 69 15.811 27.233 -2.004 1.00 39.66 C ATOM 503 CG LEU A 69 15.230 26.286 -0.936 1.00 39.33 C ATOM 504 CD1 LEU A 69 13.978 25.586 -1.424 1.00 39.39 C ATOM 505 CD2 LEU A 69 16.255 25.265 -0.475 1.00 37.59 C ATOM 506 H LEU A 69 16.015 29.094 -0.121 1.00 0.00 H ATOM 507 N ILE A 70 18.692 28.515 -3.298 1.00 39.77 N ATOM 508 CA ILE A 70 19.420 29.467 -4.133 1.00 42.86 C ATOM 509 C ILE A 70 19.296 29.155 -5.601 1.00 41.64 C ATOM 510 O ILE A 70 19.484 28.023 -6.016 1.00 38.01 O ATOM 511 CB ILE A 70 20.911 29.491 -3.766 1.00 44.83 C ATOM 512 CG1 ILE A 70 21.059 29.846 -2.286 1.00 47.76 C ATOM 513 CG2 ILE A 70 21.652 30.510 -4.612 1.00 49.55 C ATOM 514 CD1 ILE A 70 20.371 31.155 -1.898 1.00 49.75 C ATOM 515 H ILE A 70 19.031 27.534 -3.235 1.00 0.00 H ATOM 516 N GLY A 71 19.000 30.193 -6.374 1.00 44.91 N ATOM 517 CA GLY A 71 18.938 30.085 -7.825 1.00 48.05 C ATOM 518 C GLY A 71 17.643 29.455 -8.280 1.00 48.07 C ATOM 519 O GLY A 71 16.712 29.253 -7.509 1.00 47.19 O ATOM 520 H GLY A 71 18.806 31.113 -5.929 1.00 0.00 H ATOM 521 N ALA A 72 17.619 29.093 -9.546 1.00 50.50 N ATOM 522 CA ALA A 72 16.486 28.418 -10.126 1.00 48.90 C ATOM 523 C ALA A 72 16.830 26.922 -10.241 1.00 45.64 C ATOM 524 O ALA A 72 18.014 26.540 -10.363 1.00 43.43 O ATOM 525 CB ALA A 72 16.180 29.023 -11.481 1.00 53.70 C ATOM 526 H ALA A 72 18.443 29.301 -10.145 1.00 0.00 H ATOM 527 N PRO A 73 15.803 26.064 -10.238 1.00 42.18 N ATOM 528 CA PRO A 73 16.092 24.618 -10.279 1.00 39.15 C ATOM 529 C PRO A 73 16.830 24.149 -11.546 1.00 38.61 C ATOM 530 O PRO A 73 16.706 24.755 -12.606 1.00 40.66 O ATOM 531 CB PRO A 73 14.714 23.967 -10.152 1.00 39.13 C ATOM 532 CG PRO A 73 13.745 25.074 -9.931 1.00 40.88 C ATOM 533 CD PRO A 73 14.370 26.351 -10.398 1.00 42.71 C ATOM 534 N SER A 74 17.612 23.095 -11.411 1.00 36.96 N ATOM 535 CA SER A 74 18.350 22.508 -12.541 1.00 39.41 C ATOM 536 C SER A 74 18.154 20.989 -12.506 1.00 37.85 C ATOM 537 O SER A 74 18.055 20.391 -11.452 1.00 35.23 O ATOM 538 CB SER A 74 19.841 22.865 -12.445 1.00 39.67 C ATOM 539 OG SER A 74 20.637 22.123 -13.372 1.00 42.39 O ATOM 540 HG SER A 74 21.587 22.386 -13.274 1.00 0.00 H ATOM 541 H SER A 74 17.711 22.663 -10.470 1.00 0.00 H ATOM 542 N GLY A 75 18.059 20.386 -13.667 1.00 39.42 N ATOM 543 CA GLY A 75 17.964 18.942 -13.793 1.00 41.13 C ATOM 544 C GLY A 75 19.303 18.270 -14.038 1.00 42.99 C ATOM 545 O GLY A 75 19.387 17.039 -14.033 1.00 42.61 O ATOM 546 H GLY A 75 18.051 20.964 -14.531 1.00 0.00 H ATOM 547 N GLU A 76 20.328 19.083 -14.315 1.00 46.15 N ATOM 548 CA GLU A 76 21.675 18.586 -14.631 1.00 48.86 C ATOM 549 C GLU A 76 22.226 17.694 -13.516 1.00 46.29 C ATOM 550 O GLU A 76 22.327 18.108 -12.355 1.00 41.61 O ATOM 551 CB GLU A 76 22.633 19.758 -14.884 1.00 52.58 C ATOM 552 CG GLU A 76 22.979 19.939 -16.357 1.00 60.71 C ATOM 553 CD GLU A 76 24.154 20.888 -16.577 1.00 66.03 C ATOM 554 OE1 GLU A 76 24.246 21.895 -15.806 1.00 64.63 O ATOM 555 OE2 GLU A 76 24.978 20.614 -17.505 1.00 63.80 O ATOM 556 H GLU A 76 20.165 20.110 -14.307 1.00 0.00 H ATOM 557 N PHE A 77 22.559 16.466 -13.889 1.00 46.69 N ATOM 558 CA PHE A 77 23.216 15.500 -13.001 1.00 46.44 C ATOM 559 C PHE A 77 22.384 15.161 -11.764 1.00 43.48 C ATOM 560 O PHE A 77 22.944 14.777 -10.749 1.00 43.34 O ATOM 561 CB PHE A 77 24.600 15.988 -12.523 1.00 47.98 C ATOM 562 CG PHE A 77 25.544 16.430 -13.629 1.00 51.63 C ATOM 563 CD1 PHE A 77 26.082 15.511 -14.510 1.00 54.43 C ATOM 564 CD2 PHE A 77 25.951 17.766 -13.712 1.00 53.50 C ATOM 565 CE1 PHE A 77 26.957 15.913 -15.497 1.00 59.34 C ATOM 566 CE2 PHE A 77 26.818 18.179 -14.703 1.00 57.69 C ATOM 567 CZ PHE A 77 27.328 17.248 -15.596 1.00 60.74 C ATOM 568 H PHE A 77 22.343 16.172 -14.863 1.00 0.00 H ATOM 569 N SER A 78 21.064 15.275 -11.833 1.00 42.32 N ATOM 570 CA SER A 78 20.239 15.001 -10.664 1.00 40.91 C ATOM 571 C SER A 78 20.432 13.566 -10.195 1.00 40.18 C ATOM 572 O SER A 78 20.382 12.654 -10.981 1.00 39.00 O ATOM 573 CB SER A 78 18.757 15.208 -10.953 1.00 41.25 C ATOM 574 OG SER A 78 18.009 15.030 -9.752 1.00 39.15 O ATOM 575 HG SER A 78 17.047 15.165 -9.941 1.00 0.00 H ATOM 576 H SER A 78 20.616 15.562 -12.727 1.00 0.00 H ATOM 577 N TRP A 79 20.630 13.391 -8.895 1.00 37.82 N ATOM 578 CA TRP A 79 20.747 12.065 -8.325 1.00 37.54 C ATOM 579 C TRP A 79 19.428 11.323 -8.285 1.00 38.45 C ATOM 580 O TRP A 79 19.393 10.118 -8.046 1.00 39.69 O ATOM 581 CB TRP A 79 21.307 12.161 -6.889 1.00 36.53 C ATOM 582 CG TRP A 79 22.727 12.611 -6.837 1.00 35.16 C ATOM 583 CD1 TRP A 79 23.743 12.160 -7.594 1.00 36.28 C ATOM 584 CD2 TRP A 79 23.266 13.607 -5.977 1.00 33.07 C ATOM 585 NE1 TRP A 79 24.900 12.830 -7.262 1.00 36.27 N ATOM 586 CE2 TRP A 79 24.627 13.720 -6.270 1.00 33.58 C ATOM 587 CE3 TRP A 79 22.720 14.424 -4.980 1.00 31.16 C ATOM 588 CZ2 TRP A 79 25.458 14.608 -5.608 1.00 33.95 C ATOM 589 CZ3 TRP A 79 23.531 15.294 -4.330 1.00 30.40 C ATOM 590 CH2 TRP A 79 24.894 15.381 -4.629 1.00 31.62 C ATOM 591 HE1 TRP A 79 25.832 12.680 -7.699 1.00 0.00 H ATOM 592 H TRP A 79 20.703 14.222 -8.274 1.00 0.00 H ATOM 593 N PHE A 80 18.323 12.031 -8.454 1.00 39.65 N ATOM 594 CA PHE A 80 17.007 11.404 -8.305 1.00 40.93 C ATOM 595 C PHE A 80 16.217 11.630 -9.553 1.00 40.58 C ATOM 596 O PHE A 80 15.904 12.790 -9.892 1.00 40.04 O ATOM 597 CB PHE A 80 16.257 11.982 -7.085 1.00 40.50 C ATOM 598 CG PHE A 80 16.970 11.772 -5.772 1.00 41.11 C ATOM 599 CD1 PHE A 80 16.826 10.588 -5.068 1.00 42.18 C ATOM 600 CD2 PHE A 80 17.749 12.780 -5.227 1.00 40.47 C ATOM 601 CE1 PHE A 80 17.470 10.406 -3.861 1.00 41.33 C ATOM 602 CE2 PHE A 80 18.396 12.601 -4.020 1.00 39.00 C ATOM 603 CZ PHE A 80 18.257 11.409 -3.343 1.00 39.10 C ATOM 604 H PHE A 80 18.389 13.041 -8.695 1.00 0.00 H ATOM 605 N LYS A 81 15.848 10.531 -10.204 1.00 42.03 N ATOM 606 CA LYS A 81 15.260 10.593 -11.536 1.00 43.81 C ATOM 607 C LYS A 81 13.970 11.380 -11.537 1.00 41.77 C ATOM 608 O LYS A 81 13.102 11.173 -10.705 1.00 41.20 O ATOM 609 CB LYS A 81 15.032 9.199 -12.111 1.00 48.16 C ATOM 610 CG LYS A 81 14.678 9.255 -13.579 1.00 53.51 C ATOM 611 CD LYS A 81 14.908 7.919 -14.272 1.00 58.90 C ATOM 612 CE LYS A 81 16.333 7.852 -14.817 1.00 61.08 C ATOM 613 NZ LYS A 81 16.374 8.006 -16.298 1.00 64.28 N ATOM 614 HZ1 LYS A 81 15.821 7.244 -16.740 1.00 0.00 H ATOM 615 HZ2 LYS A 81 15.969 8.927 -16.561 1.00 0.00 H ATOM 616 HZ3 LYS A 81 17.360 7.954 -16.624 1.00 0.00 H ATOM 617 H LYS A 81 15.982 9.604 -9.752 1.00 0.00 H ATOM 618 N GLY A 82 13.870 12.301 -12.486 1.00 41.71 N ATOM 619 CA GLY A 82 12.689 13.127 -12.664 1.00 41.41 C ATOM 620 C GLY A 82 12.621 14.357 -11.786 1.00 38.78 C ATOM 621 O GLY A 82 11.642 15.070 -11.843 1.00 39.70 O ATOM 622 H GLY A 82 14.674 12.438 -13.132 1.00 0.00 H ATOM 623 N TYR A 83 13.643 14.606 -10.964 1.00 36.85 N ATOM 624 CA TYR A 83 13.654 15.760 -10.080 1.00 34.35 C ATOM 625 C TYR A 83 14.705 16.770 -10.505 1.00 34.76 C ATOM 626 O TYR A 83 15.802 16.381 -10.909 1.00 35.52 O ATOM 627 CB TYR A 83 13.903 15.353 -8.620 1.00 32.72 C ATOM 628 CG TYR A 83 12.821 14.536 -7.986 1.00 32.32 C ATOM 629 CD1 TYR A 83 12.823 13.152 -8.082 1.00 34.02 C ATOM 630 CD2 TYR A 83 11.813 15.130 -7.277 1.00 32.25 C ATOM 631 CE1 TYR A 83 11.833 12.375 -7.510 1.00 33.92 C ATOM 632 CE2 TYR A 83 10.833 14.360 -6.689 1.00 33.34 C ATOM 633 CZ TYR A 83 10.864 12.976 -6.818 1.00 33.57 C ATOM 634 OH TYR A 83 9.884 12.208 -6.277 1.00 35.04 O ATOM 635 HH TYR A 83 9.012 12.460 -6.673 1.00 0.00 H ATOM 636 H TYR A 83 14.455 13.956 -10.956 1.00 0.00 H ATOM 637 N ASP A 84 14.373 18.053 -10.340 1.00 34.47 N ATOM 638 CA ASP A 84 15.292 19.162 -10.475 1.00 34.98 C ATOM 639 C ASP A 84 15.729 19.652 -9.099 1.00 32.81 C ATOM 640 O ASP A 84 14.991 19.521 -8.141 1.00 32.34 O ATOM 641 CB ASP A 84 14.582 20.283 -11.196 1.00 38.32 C ATOM 642 CG ASP A 84 13.955 19.798 -12.510 1.00 42.27 C ATOM 643 OD1 ASP A 84 14.691 19.148 -13.308 1.00 43.77 O ATOM 644 OD2 ASP A 84 12.723 20.017 -12.712 1.00 46.42 O ATOM 645 H ASP A 84 13.385 18.270 -10.098 1.00 0.00 H ATOM 646 N TRP A 85 16.931 20.197 -8.996 1.00 31.95 N ATOM 647 CA TRP A 85 17.478 20.552 -7.717 1.00 31.41 C ATOM 648 C TRP A 85 17.802 22.043 -7.606 1.00 32.37 C ATOM 649 O TRP A 85 18.137 22.716 -8.600 1.00 33.21 O ATOM 650 CB TRP A 85 18.703 19.686 -7.377 1.00 30.74 C ATOM 651 CG TRP A 85 19.775 19.666 -8.414 1.00 31.48 C ATOM 652 CD1 TRP A 85 20.014 18.695 -9.309 1.00 33.29 C ATOM 653 CD2 TRP A 85 20.780 20.645 -8.611 1.00 33.08 C ATOM 654 NE1 TRP A 85 21.076 19.016 -10.092 1.00 36.07 N ATOM 655 CE2 TRP A 85 21.568 20.222 -9.694 1.00 34.57 C ATOM 656 CE3 TRP A 85 21.087 21.854 -7.988 1.00 33.37 C ATOM 657 CZ2 TRP A 85 22.651 20.972 -10.196 1.00 36.54 C ATOM 658 CZ3 TRP A 85 22.186 22.600 -8.479 1.00 35.87 C ATOM 659 CH2 TRP A 85 22.948 22.154 -9.576 1.00 35.89 C ATOM 660 HE1 TRP A 85 21.452 18.436 -10.869 1.00 0.00 H ATOM 661 H TRP A 85 17.489 20.371 -9.856 1.00 0.00 H ATOM 662 N THR A 86 17.690 22.555 -6.388 1.00 31.19 N ATOM 663 CA THR A 86 18.242 23.868 -6.048 1.00 33.27 C ATOM 664 C THR A 86 19.084 23.652 -4.797 1.00 31.01 C ATOM 665 O THR A 86 18.750 22.869 -3.934 1.00 30.50 O ATOM 666 CB THR A 86 17.160 24.937 -5.786 1.00 35.35 C ATOM 667 OG1 THR A 86 16.412 24.540 -4.630 1.00 41.51 O ATOM 668 CG2 THR A 86 16.202 25.038 -6.885 1.00 36.51 C ATOM 669 HG1 THR A 86 17.020 24.472 -3.852 1.00 0.00 H ATOM 670 H THR A 86 17.196 22.009 -5.654 1.00 0.00 H ATOM 671 N ILE A 87 20.199 24.345 -4.727 1.00 32.60 N ATOM 672 CA ILE A 87 21.074 24.310 -3.582 1.00 30.12 C ATOM 673 C ILE A 87 20.321 24.858 -2.353 1.00 30.27 C ATOM 674 O ILE A 87 19.654 25.895 -2.428 1.00 31.18 O ATOM 675 CB ILE A 87 22.334 25.131 -3.862 1.00 32.67 C ATOM 676 CG1 ILE A 87 23.249 24.349 -4.816 1.00 33.83 C ATOM 677 CG2 ILE A 87 23.099 25.442 -2.583 1.00 32.44 C ATOM 678 CD1 ILE A 87 24.171 25.222 -5.625 1.00 36.17 C ATOM 679 H ILE A 87 20.462 24.946 -5.534 1.00 0.00 H ATOM 680 N ALA A 88 20.448 24.158 -1.217 1.00 27.52 N ATOM 681 CA ALA A 88 19.849 24.600 0.039 1.00 26.25 C ATOM 682 C ALA A 88 20.955 24.977 1.018 1.00 25.98 C ATOM 683 O ALA A 88 21.787 24.143 1.441 1.00 25.99 O ATOM 684 CB ALA A 88 18.980 23.503 0.615 1.00 25.96 C ATOM 685 H ALA A 88 20.991 23.271 -1.231 1.00 0.00 H ATOM 686 N LEU A 89 20.983 26.246 1.373 1.00 27.03 N ATOM 687 CA LEU A 89 21.889 26.733 2.392 1.00 27.99 C ATOM 688 C LEU A 89 21.138 26.906 3.693 1.00 26.48 C ATOM 689 O LEU A 89 19.927 27.064 3.708 1.00 24.57 O ATOM 690 CB LEU A 89 22.479 28.077 1.986 1.00 29.09 C ATOM 691 CG LEU A 89 23.193 28.135 0.630 1.00 30.61 C ATOM 692 CD1 LEU A 89 23.632 29.571 0.370 1.00 32.26 C ATOM 693 CD2 LEU A 89 24.377 27.198 0.542 1.00 30.56 C ATOM 694 H LEU A 89 20.337 26.916 0.909 1.00 0.00 H ATOM 695 N CYS A 90 21.875 26.843 4.791 1.00 25.84 N ATOM 696 CA CYS A 90 21.338 27.273 6.050 1.00 26.03 C ATOM 697 C CYS A 90 20.992 28.741 5.895 1.00 25.97 C ATOM 698 O CYS A 90 21.852 29.548 5.508 1.00 29.10 O ATOM 699 CB CYS A 90 22.379 27.093 7.175 1.00 26.25 C ATOM 700 SG CYS A 90 21.821 27.697 8.781 1.00 23.56 S ATOM 701 H CYS A 90 22.848 26.480 4.741 1.00 0.00 H ATOM 702 N GLY A 91 19.748 29.090 6.233 1.00 25.20 N ATOM 703 CA GLY A 91 19.269 30.461 6.177 1.00 24.93 C ATOM 704 C GLY A 91 19.911 31.387 7.162 1.00 25.21 C ATOM 705 O GLY A 91 19.951 32.617 6.932 1.00 27.63 O ATOM 706 H GLY A 91 19.093 28.347 6.550 1.00 0.00 H ATOM 707 N GLN A 92 20.457 30.811 8.241 1.00 25.13 N ATOM 708 CA GLN A 92 21.184 31.579 9.222 1.00 26.77 C ATOM 709 C GLN A 92 22.657 31.791 8.835 1.00 28.65 C ATOM 710 O GLN A 92 23.107 32.939 8.755 1.00 29.08 O ATOM 711 CB GLN A 92 21.068 30.929 10.614 1.00 26.52 C ATOM 712 CG GLN A 92 21.399 31.834 11.787 1.00 27.83 C ATOM 713 CD GLN A 92 20.726 31.399 13.082 1.00 28.86 C ATOM 714 OE1 GLN A 92 19.748 31.995 13.505 1.00 29.88 O ATOM 715 NE2 GLN A 92 21.209 30.319 13.681 1.00 28.38 N ATOM 716 HE22 GLN A 92 22.044 29.838 13.291 1.00 0.00 H ATOM 717 HE21 GLN A 92 20.752 29.953 14.541 1.00 0.00 H ATOM 718 H GLN A 92 20.354 29.785 8.375 1.00 0.00 H ATOM 719 N CYS A 93 23.436 30.713 8.687 1.00 28.33 N ATOM 720 CA CYS A 93 24.889 30.879 8.562 1.00 28.88 C ATOM 721 C CYS A 93 25.438 30.732 7.143 1.00 28.91 C ATOM 722 O CYS A 93 26.624 30.996 6.918 1.00 28.60 O ATOM 723 CB CYS A 93 25.659 29.943 9.517 1.00 28.98 C ATOM 724 SG CYS A 93 25.588 28.185 9.061 1.00 27.44 S ATOM 725 H CYS A 93 23.014 29.763 8.661 1.00 0.00 H ATOM 726 N GLY A 94 24.601 30.321 6.200 1.00 28.79 N ATOM 727 CA GLY A 94 25.072 30.138 4.846 1.00 29.68 C ATOM 728 C GLY A 94 25.736 28.794 4.561 1.00 29.10 C ATOM 729 O GLY A 94 26.066 28.514 3.439 1.00 30.38 O ATOM 730 H GLY A 94 23.606 30.130 6.435 1.00 0.00 H ATOM 731 N SER A 95 25.912 27.951 5.567 1.00 28.57 N ATOM 732 CA SER A 95 26.524 26.657 5.366 1.00 29.85 C ATOM 733 C SER A 95 25.681 25.858 4.350 1.00 28.09 C ATOM 734 O SER A 95 24.453 25.869 4.382 1.00 26.18 O ATOM 735 CB SER A 95 26.698 25.931 6.716 1.00 30.92 C ATOM 736 OG SER A 95 26.803 24.523 6.582 1.00 35.25 O ATOM 737 HG SER A 95 26.912 24.115 7.477 1.00 0.00 H ATOM 738 H SER A 95 25.604 28.226 6.521 1.00 0.00 H ATOM 739 N HIS A 96 26.355 25.143 3.462 1.00 29.15 N ATOM 740 CA HIS A 96 25.660 24.311 2.477 1.00 29.40 C ATOM 741 C HIS A 96 25.158 23.029 3.137 1.00 28.16 C ATOM 742 O HIS A 96 25.942 22.184 3.558 1.00 33.84 O ATOM 743 CB HIS A 96 26.584 24.003 1.288 1.00 31.63 C ATOM 744 CG HIS A 96 25.972 23.098 0.266 1.00 33.36 C ATOM 745 ND1 HIS A 96 26.710 22.226 -0.496 1.00 35.89 N ATOM 746 CD2 HIS A 96 24.687 22.918 -0.103 1.00 34.10 C ATOM 747 CE1 HIS A 96 25.906 21.536 -1.283 1.00 35.02 C ATOM 748 NE2 HIS A 96 24.673 21.942 -1.068 1.00 34.37 N ATOM 749 H HIS A 96 27.395 25.173 3.464 1.00 0.00 H ATOM 750 N LEU A 97 23.848 22.872 3.244 1.00 27.94 N ATOM 751 CA LEU A 97 23.271 21.731 3.959 1.00 27.08 C ATOM 752 C LEU A 97 22.706 20.654 3.066 1.00 27.43 C ATOM 753 O LEU A 97 22.461 19.553 3.543 1.00 27.91 O ATOM 754 CB LEU A 97 22.157 22.189 4.919 1.00 25.97 C ATOM 755 CG LEU A 97 22.608 23.095 6.062 1.00 25.93 C ATOM 756 CD1 LEU A 97 21.458 23.287 7.046 1.00 27.60 C ATOM 757 CD2 LEU A 97 23.830 22.540 6.782 1.00 25.81 C ATOM 758 H LEU A 97 23.215 23.574 2.811 1.00 0.00 H ATOM 759 N GLY A 98 22.438 20.972 1.804 1.00 27.25 N ATOM 760 CA GLY A 98 21.882 20.002 0.869 1.00 26.68 C ATOM 761 C GLY A 98 21.194 20.638 -0.347 1.00 25.90 C ATOM 762 O GLY A 98 21.677 21.610 -0.936 1.00 24.54 O ATOM 763 H GLY A 98 22.630 21.939 1.474 1.00 0.00 H ATOM 764 N TRP A 99 20.072 20.050 -0.734 1.00 25.45 N ATOM 765 CA TRP A 99 19.376 20.433 -1.958 1.00 25.59 C ATOM 766 C TRP A 99 17.910 20.276 -1.736 1.00 25.44 C ATOM 767 O TRP A 99 17.482 19.383 -1.027 1.00 25.29 O ATOM 768 CB TRP A 99 19.820 19.526 -3.152 1.00 26.78 C ATOM 769 CG TRP A 99 21.267 19.621 -3.468 1.00 27.70 C ATOM 770 CD1 TRP A 99 21.873 20.499 -4.344 1.00 29.12 C ATOM 771 CD2 TRP A 99 22.330 18.888 -2.830 1.00 27.74 C ATOM 772 NE1 TRP A 99 23.243 20.323 -4.291 1.00 29.17 N ATOM 773 CE2 TRP A 99 23.532 19.326 -3.386 1.00 28.93 C ATOM 774 CE3 TRP A 99 22.372 17.877 -1.855 1.00 29.16 C ATOM 775 CZ2 TRP A 99 24.775 18.814 -2.965 1.00 31.04 C ATOM 776 CZ3 TRP A 99 23.615 17.346 -1.457 1.00 29.69 C ATOM 777 CH2 TRP A 99 24.788 17.818 -2.019 1.00 30.09 C ATOM 778 HE1 TRP A 99 23.942 20.857 -4.845 1.00 0.00 H ATOM 779 H TRP A 99 19.674 19.290 -0.146 1.00 0.00 H ATOM 780 N HIS A 100 17.125 21.142 -2.372 1.00 27.10 N ATOM 781 CA HIS A 100 15.703 20.907 -2.498 1.00 28.49 C ATOM 782 C HIS A 100 15.435 20.293 -3.862 1.00 29.56 C ATOM 783 O HIS A 100 15.989 20.735 -4.866 1.00 28.78 O ATOM 784 CB HIS A 100 14.936 22.195 -2.410 1.00 30.59 C ATOM 785 CG HIS A 100 13.458 21.999 -2.328 1.00 31.81 C ATOM 786 ND1 HIS A 100 12.584 22.573 -3.214 1.00 32.82 N ATOM 787 CD2 HIS A 100 12.697 21.306 -1.447 1.00 33.42 C ATOM 788 CE1 HIS A 100 11.346 22.262 -2.880 1.00 33.33 C ATOM 789 NE2 HIS A 100 11.385 21.495 -1.812 1.00 33.70 N ATOM 790 H HIS A 100 17.540 22.001 -2.785 1.00 0.00 H ATOM 791 N TYR A 101 14.588 19.272 -3.882 1.00 28.96 N ATOM 792 CA TYR A 101 14.204 18.623 -5.109 1.00 29.88 C ATOM 793 C TYR A 101 12.728 18.909 -5.386 1.00 31.01 C ATOM 794 O TYR A 101 11.882 18.827 -4.474 1.00 30.89 O ATOM 795 CB TYR A 101 14.496 17.108 -5.019 1.00 29.36 C ATOM 796 CG TYR A 101 15.966 16.797 -5.036 1.00 28.39 C ATOM 797 CD1 TYR A 101 16.651 16.614 -6.228 1.00 29.66 C ATOM 798 CD2 TYR A 101 16.682 16.658 -3.839 1.00 28.71 C ATOM 799 CE1 TYR A 101 18.002 16.331 -6.249 1.00 29.39 C ATOM 800 CE2 TYR A 101 18.045 16.390 -3.846 1.00 27.20 C ATOM 801 CZ TYR A 101 18.691 16.229 -5.056 1.00 28.52 C ATOM 802 OH TYR A 101 20.028 15.957 -5.101 1.00 30.17 O ATOM 803 HH TYR A 101 20.315 15.875 -6.045 1.00 0.00 H ATOM 804 H TYR A 101 14.189 18.930 -2.984 1.00 0.00 H ATOM 805 N GLU A 102 12.420 19.229 -6.637 1.00 32.60 N ATOM 806 CA GLU A 102 11.046 19.451 -7.075 1.00 35.84 C ATOM 807 C GLU A 102 10.830 18.919 -8.484 1.00 36.80 C ATOM 808 O GLU A 102 11.732 18.430 -9.137 1.00 35.14 O ATOM 809 CB GLU A 102 10.733 20.940 -7.058 1.00 40.12 C ATOM 810 CG GLU A 102 11.545 21.718 -8.086 1.00 44.97 C ATOM 811 CD GLU A 102 11.169 23.183 -8.240 1.00 49.64 C ATOM 812 OE1 GLU A 102 10.551 23.451 -9.313 1.00 49.62 O ATOM 813 OE2 GLU A 102 11.497 24.020 -7.338 1.00 50.86 O ATOM 814 H GLU A 102 13.188 19.325 -7.332 1.00 0.00 H ATOM 815 N GLY A 103 9.600 19.006 -8.945 1.00 40.26 N ATOM 816 CA GLY A 103 9.277 18.734 -10.342 1.00 43.18 C ATOM 817 C GLY A 103 9.098 17.277 -10.679 1.00 44.46 C ATOM 818 O GLY A 103 8.975 16.947 -11.862 1.00 45.70 O ATOM 819 H GLY A 103 8.835 19.277 -8.294 1.00 0.00 H ATOM 820 N GLY A 104 9.045 16.414 -9.659 1.00 44.48 N ATOM 821 CA GLY A 104 8.890 14.981 -9.856 1.00 46.39 C ATOM 822 C GLY A 104 7.499 14.545 -9.495 1.00 49.51 C ATOM 823 O GLY A 104 6.540 15.322 -9.626 1.00 53.68 O ATOM 824 H GLY A 104 9.117 16.781 -8.689 1.00 0.00 H ATOM 825 N SER A 105 7.382 13.293 -9.045 1.00 50.19 N ATOM 826 CA SER A 105 6.098 12.705 -8.703 1.00 52.95 C ATOM 827 C SER A 105 6.274 11.762 -7.525 1.00 52.64 C ATOM 828 O SER A 105 7.285 11.080 -7.437 1.00 52.54 O ATOM 829 CB SER A 105 5.550 11.906 -9.914 1.00 55.81 C ATOM 830 OG SER A 105 5.826 12.540 -11.155 1.00 53.70 O ATOM 831 HG SER A 105 5.457 11.993 -11.893 1.00 0.00 H ATOM 832 H SER A 105 8.241 12.718 -8.935 1.00 0.00 H ATOM 833 N GLN A 106 5.291 11.736 -6.624 1.00 53.67 N ATOM 834 CA GLN A 106 5.273 10.806 -5.485 1.00 54.01 C ATOM 835 C GLN A 106 6.616 10.713 -4.743 1.00 50.36 C ATOM 836 O GLN A 106 7.287 9.680 -4.812 1.00 52.20 O ATOM 837 CB GLN A 106 4.825 9.393 -5.950 1.00 57.38 C ATOM 838 CG GLN A 106 3.969 8.688 -4.913 1.00 59.96 C ATOM 839 CD GLN A 106 3.232 7.497 -5.482 1.00 63.42 C ATOM 840 OE1 GLN A 106 3.679 6.884 -6.444 1.00 64.69 O ATOM 841 NE2 GLN A 106 2.085 7.171 -4.893 1.00 66.09 N ATOM 842 HE22 GLN A 106 1.744 7.720 -4.078 1.00 0.00 H ATOM 843 HE21 GLN A 106 1.529 6.367 -5.247 1.00 0.00 H ATOM 844 H GLN A 106 4.501 12.404 -6.732 1.00 0.00 H ATOM 845 N PRO A 107 7.016 11.785 -4.037 1.00 46.75 N ATOM 846 CA PRO A 107 6.362 13.088 -3.892 1.00 45.55 C ATOM 847 C PRO A 107 6.860 14.063 -4.939 1.00 43.48 C ATOM 848 O PRO A 107 7.934 13.861 -5.524 1.00 42.79 O ATOM 849 CB PRO A 107 6.811 13.549 -2.512 1.00 43.50 C ATOM 850 CG PRO A 107 8.178 12.954 -2.363 1.00 42.89 C ATOM 851 CD PRO A 107 8.252 11.727 -3.230 1.00 44.88 C ATOM 852 N GLN A 108 6.091 15.117 -5.168 1.00 42.30 N ATOM 853 CA GLN A 108 6.520 16.159 -6.085 1.00 40.89 C ATOM 854 C GLN A 108 7.797 16.810 -5.595 1.00 37.29 C ATOM 855 O GLN A 108 8.685 17.062 -6.384 1.00 36.83 O ATOM 856 CB GLN A 108 5.440 17.218 -6.263 1.00 41.75 C ATOM 857 CG GLN A 108 4.553 16.925 -7.434 1.00 43.32 C ATOM 858 CD GLN A 108 3.386 17.848 -7.445 1.00 44.68 C ATOM 859 OE1 GLN A 108 3.096 18.477 -6.452 1.00 45.96 O ATOM 860 NE2 GLN A 108 2.731 17.952 -8.560 1.00 46.10 N ATOM 861 HE22 GLN A 108 3.019 17.390 -9.386 1.00 0.00 H ATOM 862 HE21 GLN A 108 1.918 18.597 -8.627 1.00 0.00 H ATOM 863 H GLN A 108 5.172 15.199 -4.687 1.00 0.00 H ATOM 864 N THR A 109 7.907 17.026 -4.294 1.00 36.05 N ATOM 865 CA THR A 109 9.090 17.661 -3.721 1.00 35.05 C ATOM 866 C THR A 109 9.586 16.968 -2.466 1.00 33.37 C ATOM 867 O THR A 109 8.805 16.384 -1.738 1.00 36.11 O ATOM 868 CB THR A 109 8.779 19.145 -3.350 1.00 34.67 C ATOM 869 OG1 THR A 109 7.861 19.185 -2.251 1.00 35.98 O ATOM 870 CG2 THR A 109 8.153 19.893 -4.529 1.00 35.40 C ATOM 871 HG1 THR A 109 8.263 18.728 -1.470 1.00 0.00 H ATOM 872 H THR A 109 7.132 16.736 -3.664 1.00 0.00 H ATOM 873 N PHE A 110 10.880 17.114 -2.182 1.00 32.63 N ATOM 874 CA PHE A 110 11.490 16.698 -0.909 1.00 29.64 C ATOM 875 C PHE A 110 12.885 17.336 -0.770 1.00 28.62 C ATOM 876 O PHE A 110 13.395 17.968 -1.708 1.00 26.11 O ATOM 877 CB PHE A 110 11.636 15.169 -0.859 1.00 32.38 C ATOM 878 CG PHE A 110 12.632 14.612 -1.850 1.00 31.31 C ATOM 879 CD1 PHE A 110 12.273 14.390 -3.183 1.00 33.91 C ATOM 880 CD2 PHE A 110 13.918 14.301 -1.464 1.00 30.80 C ATOM 881 CE1 PHE A 110 13.188 13.877 -4.119 1.00 33.55 C ATOM 882 CE2 PHE A 110 14.837 13.797 -2.370 1.00 31.24 C ATOM 883 CZ PHE A 110 14.469 13.589 -3.712 1.00 33.38 C ATOM 884 H PHE A 110 11.494 17.547 -2.901 1.00 0.00 H ATOM 885 N PHE A 111 13.517 17.143 0.400 1.00 27.47 N ATOM 886 CA PHE A 111 14.866 17.651 0.650 1.00 25.77 C ATOM 887 C PHE A 111 15.841 16.526 0.812 1.00 24.31 C ATOM 888 O PHE A 111 15.527 15.502 1.419 1.00 24.43 O ATOM 889 CB PHE A 111 14.912 18.483 1.925 1.00 26.19 C ATOM 890 CG PHE A 111 14.154 19.756 1.849 1.00 27.10 C ATOM 891 CD1 PHE A 111 12.799 19.788 2.083 1.00 29.19 C ATOM 892 CD2 PHE A 111 14.809 20.950 1.602 1.00 28.84 C ATOM 893 CE1 PHE A 111 12.102 20.993 2.044 1.00 29.45 C ATOM 894 CE2 PHE A 111 14.124 22.152 1.569 1.00 27.84 C ATOM 895 CZ PHE A 111 12.772 22.170 1.791 1.00 28.64 C ATOM 896 H PHE A 111 13.031 16.615 1.153 1.00 0.00 H ATOM 897 N GLY A 112 17.034 16.726 0.286 1.00 23.31 N ATOM 898 CA GLY A 112 18.125 15.783 0.514 1.00 25.87 C ATOM 899 C GLY A 112 19.190 16.549 1.257 1.00 26.47 C ATOM 900 O GLY A 112 19.831 17.416 0.698 1.00 29.71 O ATOM 901 H GLY A 112 17.200 17.569 -0.300 1.00 0.00 H ATOM 902 N LEU A 113 19.407 16.212 2.513 1.00 27.46 N ATOM 903 CA LEU A 113 20.309 16.976 3.368 1.00 26.36 C ATOM 904 C LEU A 113 21.508 16.138 3.704 1.00 27.04 C ATOM 905 O LEU A 113 21.397 14.930 3.901 1.00 29.33 O ATOM 906 CB LEU A 113 19.560 17.408 4.651 1.00 26.82 C ATOM 907 CG LEU A 113 18.326 18.304 4.425 1.00 25.66 C ATOM 908 CD1 LEU A 113 17.717 18.707 5.751 1.00 27.23 C ATOM 909 CD2 LEU A 113 18.665 19.545 3.658 1.00 24.96 C ATOM 910 H LEU A 113 18.922 15.379 2.905 1.00 0.00 H ATOM 911 N ILE A 114 22.657 16.789 3.792 1.00 26.72 N ATOM 912 CA ILE A 114 23.905 16.120 4.085 1.00 28.56 C ATOM 913 C ILE A 114 24.046 15.805 5.574 1.00 28.76 C ATOM 914 O ILE A 114 24.140 16.690 6.390 1.00 28.38 O ATOM 915 CB ILE A 114 25.093 16.990 3.656 1.00 28.51 C ATOM 916 CG1 ILE A 114 24.982 17.355 2.156 1.00 26.50 C ATOM 917 CG2 ILE A 114 26.404 16.252 3.964 1.00 29.24 C ATOM 918 CD1 ILE A 114 25.831 18.530 1.772 1.00 26.44 C ATOM 919 H ILE A 114 22.662 17.819 3.645 1.00 0.00 H ATOM 920 N LYS A 115 24.046 14.532 5.912 1.00 31.22 N ATOM 921 CA LYS A 115 23.886 14.092 7.295 1.00 33.77 C ATOM 922 C LYS A 115 24.918 14.654 8.273 1.00 34.50 C ATOM 923 O LYS A 115 24.586 15.032 9.390 1.00 36.43 O ATOM 924 CB LYS A 115 23.905 12.572 7.291 1.00 37.01 C ATOM 925 CG LYS A 115 23.534 11.848 8.569 1.00 40.26 C ATOM 926 CD LYS A 115 24.719 11.382 9.375 1.00 43.14 C ATOM 927 CE LYS A 115 24.252 10.751 10.709 1.00 45.60 C ATOM 928 NZ LYS A 115 25.084 9.653 11.240 1.00 46.93 N ATOM 929 HZ1 LYS A 115 25.112 8.876 10.550 1.00 0.00 H ATOM 930 HZ2 LYS A 115 26.049 10.002 11.410 1.00 0.00 H ATOM 931 HZ3 LYS A 115 24.675 9.311 12.133 1.00 0.00 H ATOM 932 H LYS A 115 24.164 13.815 5.168 1.00 0.00 H ATOM 933 N ASP A 116 26.164 14.758 7.853 1.00 36.38 N ATOM 934 CA ASP A 116 27.230 15.192 8.758 1.00 36.67 C ATOM 935 C ASP A 116 27.286 16.730 8.931 1.00 34.05 C ATOM 936 O ASP A 116 28.173 17.241 9.621 1.00 33.55 O ATOM 937 CB ASP A 116 28.588 14.635 8.301 1.00 40.61 C ATOM 938 CG ASP A 116 28.906 14.947 6.851 1.00 40.74 C ATOM 939 OD1 ASP A 116 28.090 14.635 5.979 1.00 43.57 O ATOM 940 OD2 ASP A 116 30.005 15.430 6.571 1.00 43.32 O ATOM 941 H ASP A 116 26.393 14.528 6.865 1.00 0.00 H ATOM 942 N ARG A 117 26.366 17.442 8.274 1.00 30.82 N ATOM 943 CA ARG A 117 26.261 18.889 8.368 1.00 31.11 C ATOM 944 C ARG A 117 25.130 19.270 9.300 1.00 29.98 C ATOM 945 O ARG A 117 24.854 20.446 9.482 1.00 27.38 O ATOM 946 CB ARG A 117 26.112 19.515 6.970 1.00 32.62 C ATOM 947 CG ARG A 117 27.366 19.223 6.169 1.00 39.54 C ATOM 948 CD ARG A 117 27.815 20.286 5.193 1.00 47.61 C ATOM 949 NE ARG A 117 28.792 19.705 4.236 1.00 54.87 N ATOM 950 CZ ARG A 117 29.039 20.162 3.000 1.00 60.57 C ATOM 951 NH1 ARG A 117 28.381 21.219 2.497 1.00 60.70 N ATOM 952 NH2 ARG A 117 29.960 19.548 2.250 1.00 61.68 N ATOM 953 HE ARG A 117 29.330 18.873 4.552 1.00 0.00 H ATOM 954 HH12 ARG A 117 28.592 21.553 1.535 1.00 0.00 H ATOM 955 HH11 ARG A 117 27.660 21.703 3.069 1.00 0.00 H ATOM 956 HH22 ARG A 117 30.162 19.892 1.289 1.00 0.00 H ATOM 957 HH21 ARG A 117 30.475 18.727 2.627 1.00 0.00 H ATOM 958 H ARG A 117 25.692 16.936 7.665 1.00 0.00 H ATOM 959 N LEU A 118 24.515 18.261 9.897 1.00 28.59 N ATOM 960 CA LEU A 118 23.431 18.461 10.820 1.00 28.63 C ATOM 961 C LEU A 118 23.776 17.874 12.162 1.00 28.26 C ATOM 962 O LEU A 118 24.657 17.031 12.256 1.00 30.01 O ATOM 963 CB LEU A 118 22.182 17.744 10.303 1.00 29.05 C ATOM 964 CG LEU A 118 21.681 18.098 8.900 1.00 28.14 C ATOM 965 CD1 LEU A 118 20.627 17.088 8.478 1.00 29.79 C ATOM 966 CD2 LEU A 118 21.111 19.482 8.896 1.00 26.32 C ATOM 967 H LEU A 118 24.827 17.290 9.691 1.00 0.00 H ATOM 968 N ALA A 119 23.094 18.347 13.207 1.00 28.08 N ATOM 969 CA ALA A 119 23.273 17.831 14.567 1.00 29.52 C ATOM 970 C ALA A 119 21.935 17.432 15.117 1.00 29.83 C ATOM 971 O ALA A 119 20.996 18.200 15.012 1.00 29.13 O ATOM 972 CB ALA A 119 23.918 18.893 15.444 1.00 29.87 C ATOM 973 H ALA A 119 22.408 19.113 13.050 1.00 0.00 H ATOM 974 N GLU A 120 21.834 16.227 15.677 1.00 32.12 N ATOM 975 CA GLU A 120 20.549 15.715 16.119 1.00 34.34 C ATOM 976 C GLU A 120 20.458 15.920 17.605 1.00 35.92 C ATOM 977 O GLU A 120 21.438 15.736 18.297 1.00 35.50 O ATOM 978 CB GLU A 120 20.358 14.225 15.748 1.00 38.16 C ATOM 979 CG GLU A 120 18.957 13.675 16.057 1.00 42.74 C ATOM 980 CD GLU A 120 18.693 12.198 15.656 1.00 47.76 C ATOM 981 OE1 GLU A 120 19.641 11.394 15.459 1.00 48.65 O ATOM 982 OE2 GLU A 120 17.496 11.821 15.550 1.00 48.75 O ATOM 983 H GLU A 120 22.687 15.645 15.799 1.00 0.00 H ATOM 984 N GLY A 121 19.281 16.286 18.094 1.00 35.85 N ATOM 985 CA GLY A 121 19.107 16.459 19.526 1.00 38.59 C ATOM 986 C GLY A 121 17.665 16.584 19.973 1.00 40.12 C ATOM 987 O GLY A 121 16.742 16.524 19.150 1.00 38.56 O ATOM 988 H GLY A 121 18.480 16.450 17.451 1.00 0.00 H ATOM 989 N PRO A 122 17.464 16.823 21.274 1.00 43.69 N ATOM 990 CA PRO A 122 16.115 16.995 21.841 1.00 47.28 C ATOM 991 C PRO A 122 15.291 18.173 21.269 1.00 47.35 C ATOM 992 O PRO A 122 15.864 19.204 20.894 1.00 43.92 O ATOM 993 CB PRO A 122 16.391 17.223 23.334 1.00 49.27 C ATOM 994 CG PRO A 122 17.778 16.695 23.555 1.00 49.03 C ATOM 995 CD PRO A 122 18.508 16.998 22.299 1.00 44.88 C ATOM 996 N ALA A 123 13.965 17.984 21.205 1.00 50.95 N ATOM 997 CA ALA A 123 13.005 18.999 20.724 1.00 51.45 C ATOM 998 C ALA A 123 13.050 20.301 21.535 1.00 51.61 C ATOM 999 O ALA A 123 12.894 20.275 22.755 1.00 55.85 O ATOM 1000 CB ALA A 123 11.598 18.422 20.745 1.00 52.72 C ATOM 1001 H ALA A 123 13.588 17.065 21.513 1.00 0.00 H TER 1002 ALA A 123 HETATM 1003 ZN ZN A 1 23.780 27.250 10.006 1.00 26.75 ZN HETATM 1004 O HOH 2 8.406 11.652 5.459 1.00 29.85 O HETATM 1005 O HOH 3 29.149 23.670 15.619 1.00 46.92 O HETATM 1006 O HOH 4 16.080 21.680 20.335 1.00 32.36 O HETATM 1007 O HOH 5 20.786 26.159 -7.029 1.00 32.84 O HETATM 1008 O HOH 6 14.821 18.965 -15.891 1.00 35.29 O HETATM 1009 O HOH 7 28.452 13.498 3.666 1.00 33.27 O HETATM 1010 O HOH 8 23.065 23.066 -13.401 1.00 39.67 O HETATM 1011 O HOH 9 11.424 22.032 -11.688 1.00 38.02 O HETATM 1012 O HOH 10 30.569 17.368 4.878 1.00 35.38 O HETATM 1013 O HOH 11 14.569 16.558 -13.840 1.00 40.07 O HETATM 1014 O HOH 12 10.745 15.744 -14.274 1.00 38.58 O HETATM 1015 O HOH 13 14.612 13.228 22.918 1.00 33.88 O HETATM 1016 O HOH 14 26.469 22.936 8.756 1.00 39.59 O HETATM 1017 O HOH 15 3.203 12.584 -8.172 1.00 37.40 O HETATM 1018 O HOH 16 30.188 28.377 11.681 1.00 55.11 O HETATM 1019 O HOH 17 19.993 25.011 -9.206 1.00 33.27 O HETATM 1020 O HOH 18 29.087 25.496 3.288 1.00 40.51 O HETATM 1021 O HOH 19 16.932 8.242 -9.018 1.00 45.47 O HETATM 1022 O HOH 20 23.510 14.465 12.107 1.00 51.24 O HETATM 1023 O HOH 21 31.979 15.069 10.541 1.00 23.76 O HETATM 1024 O HOH 22 30.341 20.620 15.112 1.00 43.42 O HETATM 1025 O HOH 23 7.047 20.209 -8.348 1.00 46.00 O HETATM 1026 O HOH 24 28.931 30.603 5.194 1.00 47.22 O HETATM 1027 O HOH 25 10.010 9.297 -6.221 1.00 38.59 O HETATM 1028 O HOH 26 14.181 6.457 12.691 1.00 52.38 O HETATM 1029 O HOH 27 29.600 21.627 -0.570 1.00 46.36 O HETATM 1030 O HOH 28 15.512 30.469 6.529 1.00 51.67 O HETATM 1031 O HOH 29 11.036 28.098 10.461 1.00 44.67 O HETATM 1032 O HOH 30 30.052 19.890 8.488 1.00 47.49 O HETATM 1033 O05 UNN A 31 21.326 15.853 -7.490 1.00 -0.39 O HETATM 1034 C04 UNN A 31 22.382 16.490 -7.466 1.00 0.20 C HETATM 1035 N03 UNN A 31 23.378 16.084 -8.212 1.00 -0.20 N HETATM 1036 C02 UNN A 31 24.599 16.570 -8.265 1.00 0.20 C HETATM 1037 C08 UNN A 31 24.944 17.861 -7.580 1.00 0.04 C HETATM 1038 C07 UNN A 31 23.711 18.619 -7.134 1.00 -0.02 C HETATM 1039 C06 UNN A 31 22.598 17.714 -6.594 1.00 0.04 C HETATM 1040 H2 UNN A 31 22.870 17.384 -5.581 1.00 0.05 H HETATM 1041 H3 UNN A 31 21.662 18.290 -6.553 1.00 0.05 H HETATM 1042 H4 UNN A 31 24.003 19.323 -6.341 1.00 0.03 H HETATM 1043 H5 UNN A 31 23.317 19.180 -7.995 1.00 0.03 H HETATM 1044 H6 UNN A 31 25.562 17.640 -6.698 1.00 0.05 H HETATM 1045 H7 UNN A 31 25.514 18.491 -8.278 1.00 0.05 H HETATM 1046 O01 UNN A 31 25.447 15.954 -8.888 1.00 -0.39 O HETATM 1047 H1 UNN A 31 23.187 15.310 -8.815 1.00 0.23 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 60 59 1003 CONECT 96 95 1003 CONECT 700 699 1003 CONECT 724 723 1003 CONECT 1003 60 96 700 724 CONECT 1033 1034 CONECT 1034 1033 1035 1039 CONECT 1035 1034 1036 1047 CONECT 1036 1035 1037 1046 CONECT 1037 1036 1038 1044 1045 CONECT 1038 1037 1039 1042 1043 CONECT 1039 1034 1038 1040 1041 CONECT 1040 1039 CONECT 1041 1039 CONECT 1042 1038 CONECT 1043 1038 CONECT 1044 1037 CONECT 1045 1037 CONECT 1046 1036 CONECT 1047 1035 MASTER 0 0 0 0 0 0 0 0 1046 1 24 9 END
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Related entries of code: 5oh4
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
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PDBbind
125aa, >5OH1_1|Chains... *
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PDBbind
125aa, >5OH2_1|Chains... at 100%
5oh3
RCSB PDB
PDBbind
125aa, >5OH3_1|Chains... at 100%
5oh7
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PDBbind
125aa, >5OH7_1|Chains... at 100%
5oh9
RCSB PDB
PDBbind
125aa, >5OH9_1|Chains... at 100%
5oha
RCSB PDB
PDBbind
125aa, >5OHA_1|Chains... at 100%
6r1x
RCSB PDB
PDBbind
125aa, >6R1X_1|Chains... at 100%
6r1w
RCSB PDB
PDBbind
125aa, >6R1W_1|Chains... at 100%
6r1k
RCSB PDB
PDBbind
125aa, >6R1K_1|Chains... at 100%
6r1d
RCSB PDB
PDBbind
125aa, >6R1D_1|Chains... at 100%
6r1c
RCSB PDB
PDBbind
125aa, >6R1C_1|Chains... at 100%
6r1a
RCSB PDB
PDBbind
125aa, >6R1A_1|Chains... at 100%
6r18
RCSB PDB
PDBbind
125aa, >6R18_1|Chains... at 100%
6r13
RCSB PDB
PDBbind
125aa, >6R13_1|Chains... at 100%
6r12
RCSB PDB
PDBbind
125aa, >6R12_1|Chains... at 100%
6r0s
RCSB PDB
PDBbind
125aa, >6R0S_1|Chains... at 100%
6r0u
RCSB PDB
PDBbind
125aa, >6R0U_1|Chains... at 100%
6r0v
RCSB PDB
PDBbind
125aa, >6R0V_1|Chains... at 100%
6r11
RCSB PDB
PDBbind
125aa, >6R11_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5oh4
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Cereblon isoform 4
Ligand Name
9UZ
EC.Number
E.C.-.-.-.-
Resolution
2.3(Å)
Affinity (Kd/Ki/IC50)
Ki=28uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Acs Omega Vol. 3: pp. 11163-11171
Ligand Properties
Formula
C
5
H
7
NO
2
Molecular Weight
113.115
Exact Mass
113.048
No. of atoms
15
No. of bonds
15
Polar Surface Area
46.17
LOGP Value
-0.68 (
Computed with XLOGP3
)
0.14 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 1
Canonical SMILES
O=C1CCCC(=O)N1
InChI String
InChI=1S/C5H7NO2/c7-4-2-1-3-5(8)6-4/h1-3H2,(H,6,7,8)
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):
A4TVL0
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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