Browse entries in the PDBbind-CN Database
HEADER 6CEC_COMPLEX COMPND 6CEC_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 100 SER PRO LEU PRO TRP CYS PRO HIS LEU VAL ALA VAL CYS SEQRES 2 A 100 PRO ILE PRO ALA ALA GLY LEU ASP VAL THR GLN PRO CYS SEQRES 3 A 100 GLY ASP CYS GLY THR ILE GLN GLU ASN TRP VAL CYS LEU SEQRES 4 A 100 SER CYS TYR GLN VAL TYR CYS GLY ARG TYR ILE ASN GLY SEQRES 5 A 100 HIS MET LEU GLN HIS HIS GLY ASN SER GLY HIS PRO LEU SEQRES 6 A 100 VAL LEU SER TYR ILE ASP LEU SER ALA TRP CYS TYR TYR SEQRES 7 A 100 CYS GLN ALA TYR VAL HIS HIS GLN ALA LEU LEU ASP VAL SEQRES 8 A 100 LYS ASN ILE ALA HIS GLN ASN LYS PHE HET ZN A 1 1 HET ZN A 2 1 HET ZN A 3 1 HET EY A 7 28 ATOM 1 N SER A1108 -10.824 -7.558 10.046 1.00 27.66 N ATOM 2 CA SER A1108 -9.681 -8.495 9.945 1.00 26.06 C ATOM 3 C SER A1108 -8.742 -8.064 8.803 1.00 24.28 C ATOM 4 O SER A1108 -9.144 -7.297 7.916 1.00 24.06 O ATOM 5 CB SER A1108 -10.196 -9.902 9.671 1.00 28.60 C ATOM 6 OG SER A1108 -10.973 -9.907 8.482 1.00 30.98 O ATOM 7 HG SER A1108 -10.413 -9.609 7.722 1.00 0.00 H ATOM 8 HN3 SER A1108 -11.352 -7.560 9.150 1.00 0.00 H ATOM 9 HN2 SER A1108 -10.469 -6.600 10.239 1.00 0.00 H ATOM 10 HN1 SER A1108 -11.450 -7.859 10.820 1.00 0.00 H ATOM 11 N PRO A1109 -7.494 -8.566 8.814 1.00 21.21 N ATOM 12 CA PRO A1109 -6.600 -8.228 7.710 1.00 18.55 C ATOM 13 C PRO A1109 -7.029 -8.979 6.411 1.00 17.78 C ATOM 14 O PRO A1109 -7.874 -9.874 6.440 1.00 19.15 O ATOM 15 CB PRO A1109 -5.255 -8.702 8.257 1.00 19.58 C ATOM 16 CG PRO A1109 -5.633 -9.923 9.046 1.00 22.13 C ATOM 17 CD PRO A1109 -6.810 -9.409 9.804 1.00 20.47 C ATOM 18 N LEU A1110 -6.447 -8.626 5.287 1.00 16.08 N ATOM 19 CA LEU A1110 -6.584 -9.453 4.089 1.00 15.02 C ATOM 20 C LEU A1110 -5.885 -10.771 4.318 1.00 16.13 C ATOM 21 O LEU A1110 -4.822 -10.813 4.941 1.00 14.17 O ATOM 22 CB LEU A1110 -5.921 -8.770 2.908 1.00 15.88 C ATOM 23 CG LEU A1110 -6.441 -7.414 2.436 1.00 16.45 C ATOM 24 CD1 LEU A1110 -5.502 -6.840 1.376 1.00 18.89 C ATOM 25 CD2 LEU A1110 -7.898 -7.521 1.967 1.00 18.54 C ATOM 26 H LEU A1110 -5.885 -7.752 5.249 1.00 0.00 H ATOM 27 N PRO A1111 -6.433 -11.879 3.795 1.00 15.29 N ATOM 28 CA PRO A1111 -5.776 -13.170 3.985 1.00 15.01 C ATOM 29 C PRO A1111 -4.648 -13.458 3.035 1.00 13.17 C ATOM 30 O PRO A1111 -3.975 -14.486 3.139 1.00 15.78 O ATOM 31 CB PRO A1111 -6.939 -14.153 3.787 1.00 16.05 C ATOM 32 CG PRO A1111 -7.823 -13.479 2.794 1.00 15.46 C ATOM 33 CD PRO A1111 -7.811 -12.032 3.265 1.00 15.79 C ATOM 34 N TRP A1112 -4.385 -12.542 2.105 1.00 13.40 N ATOM 35 CA TRP A1112 -3.370 -12.711 1.066 1.00 12.69 C ATOM 36 C TRP A1112 -3.187 -11.369 0.406 1.00 12.04 C ATOM 37 O TRP A1112 -4.061 -10.530 0.378 1.00 13.49 O ATOM 38 CB TRP A1112 -3.829 -13.719 -0.012 1.00 13.70 C ATOM 39 CG TRP A1112 -2.834 -14.052 -1.044 1.00 13.13 C ATOM 40 CD1 TRP A1112 -1.818 -14.960 -0.941 1.00 13.05 C ATOM 41 CD2 TRP A1112 -2.698 -13.451 -2.362 1.00 12.94 C ATOM 42 NE1 TRP A1112 -1.068 -14.970 -2.100 1.00 14.31 N ATOM 43 CE2 TRP A1112 -1.580 -14.056 -2.994 1.00 13.11 C ATOM 44 CE3 TRP A1112 -3.406 -12.462 -3.056 1.00 13.19 C ATOM 45 CZ2 TRP A1112 -1.208 -13.742 -4.298 1.00 12.91 C ATOM 46 CZ3 TRP A1112 -3.006 -12.131 -4.373 1.00 12.98 C ATOM 47 CH2 TRP A1112 -1.947 -12.782 -4.972 1.00 12.81 C ATOM 48 HE1 TRP A1112 -0.241 -15.576 -2.272 1.00 0.00 H ATOM 49 H TRP A1112 -4.932 -11.657 2.118 1.00 0.00 H ATOM 50 N CYS A1113 -2.013 -11.124 -0.161 1.00 11.97 N ATOM 51 CA CYS A1113 -1.903 -10.040 -1.137 1.00 12.40 C ATOM 52 C CYS A1113 -0.818 -10.388 -2.158 1.00 12.01 C ATOM 53 O CYS A1113 -0.014 -11.279 -1.917 1.00 13.02 O ATOM 54 CB CYS A1113 -1.663 -8.688 -0.452 1.00 11.91 C ATOM 55 SG CYS A1113 0.061 -8.065 -0.363 1.00 11.14 S ATOM 56 H CYS A1113 -1.180 -11.696 0.086 1.00 0.00 H ATOM 57 N PRO A1114 -0.845 -9.719 -3.330 1.00 14.05 N ATOM 58 CA PRO A1114 0.040 -10.073 -4.417 1.00 13.57 C ATOM 59 C PRO A1114 1.497 -9.624 -4.193 1.00 14.44 C ATOM 60 O PRO A1114 2.388 -9.877 -5.034 1.00 16.07 O ATOM 61 CB PRO A1114 -0.562 -9.328 -5.593 1.00 15.44 C ATOM 62 CG PRO A1114 -1.397 -8.252 -5.023 1.00 15.61 C ATOM 63 CD PRO A1114 -1.831 -8.683 -3.703 1.00 14.30 C ATOM 64 N HIS A1115 1.755 -9.017 -3.030 1.00 12.89 N ATOM 65 CA HIS A1115 3.135 -8.632 -2.693 1.00 13.57 C ATOM 66 C HIS A1115 3.820 -9.550 -1.719 1.00 14.14 C ATOM 67 O HIS A1115 4.987 -9.333 -1.418 1.00 14.72 O ATOM 68 CB HIS A1115 3.181 -7.180 -2.217 1.00 11.94 C ATOM 69 CG HIS A1115 2.481 -6.261 -3.160 1.00 12.27 C ATOM 70 ND1 HIS A1115 1.156 -5.854 -3.027 1.00 12.59 N ATOM 71 CD2 HIS A1115 2.925 -5.731 -4.329 1.00 14.06 C ATOM 72 CE1 HIS A1115 0.823 -5.142 -4.097 1.00 13.86 C ATOM 73 NE2 HIS A1115 1.876 -5.056 -4.906 1.00 13.77 N ATOM 74 H HIS A1115 0.981 -8.817 -2.364 1.00 0.00 H ATOM 75 N LEU A1116 3.141 -10.579 -1.214 1.00 13.05 N ATOM 76 CA LEU A1116 3.797 -11.531 -0.334 1.00 13.95 C ATOM 77 C LEU A1116 5.016 -12.217 -0.949 1.00 15.33 C ATOM 78 O LEU A1116 5.927 -12.594 -0.236 1.00 14.37 O ATOM 79 CB LEU A1116 2.806 -12.555 0.163 1.00 13.82 C ATOM 80 CG LEU A1116 1.695 -12.036 1.098 1.00 14.87 C ATOM 81 CD1 LEU A1116 0.611 -13.106 1.235 1.00 16.46 C ATOM 82 CD2 LEU A1116 2.178 -11.693 2.505 1.00 14.88 C ATOM 83 H LEU A1116 2.136 -10.702 -1.451 1.00 0.00 H ATOM 84 N VAL A1117 5.064 -12.297 -2.272 1.00 16.49 N ATOM 85 CA VAL A1117 6.239 -12.800 -2.994 1.00 17.42 C ATOM 86 C VAL A1117 7.536 -12.025 -2.732 1.00 18.27 C ATOM 87 O VAL A1117 8.624 -12.555 -2.955 1.00 18.82 O ATOM 88 CB VAL A1117 5.965 -12.923 -4.510 1.00 18.37 C ATOM 89 CG1 VAL A1117 5.010 -14.092 -4.720 1.00 20.41 C ATOM 90 CG2 VAL A1117 5.431 -11.618 -5.088 1.00 18.13 C ATOM 91 H VAL A1117 4.235 -11.991 -2.820 1.00 0.00 H ATOM 92 N ALA A1118 7.416 -10.758 -2.287 1.00 16.87 N ATOM 93 CA ALA A1118 8.537 -9.893 -1.987 1.00 15.37 C ATOM 94 C ALA A1118 9.017 -10.035 -0.549 1.00 15.47 C ATOM 95 O ALA A1118 9.997 -9.369 -0.169 1.00 14.70 O ATOM 96 CB ALA A1118 8.164 -8.445 -2.263 1.00 15.71 C ATOM 97 H ALA A1118 6.457 -10.378 -2.151 1.00 0.00 H ATOM 98 N VAL A1119 8.326 -10.840 0.267 1.00 14.45 N ATOM 99 CA VAL A1119 8.778 -11.047 1.674 1.00 14.89 C ATOM 100 C VAL A1119 9.990 -11.970 1.629 1.00 15.46 C ATOM 101 O VAL A1119 9.955 -13.090 1.015 1.00 16.69 O ATOM 102 CB VAL A1119 7.682 -11.622 2.565 1.00 15.99 C ATOM 103 CG1 VAL A1119 8.210 -11.990 3.953 1.00 17.33 C ATOM 104 CG2 VAL A1119 6.526 -10.626 2.624 1.00 15.19 C ATOM 105 H VAL A1119 7.472 -11.322 -0.080 1.00 0.00 H ATOM 106 N CYS A1120 11.091 -11.469 2.215 1.00 14.20 N ATOM 107 CA CYS A1120 12.400 -12.167 2.107 1.00 14.57 C ATOM 108 C CYS A1120 12.721 -12.942 3.398 1.00 14.15 C ATOM 109 O CYS A1120 12.143 -12.725 4.451 1.00 14.96 O ATOM 110 CB CYS A1120 13.517 -11.183 1.687 1.00 14.24 C ATOM 111 SG CYS A1120 13.214 -10.514 0.053 1.00 15.19 S ATOM 112 H CYS A1120 11.027 -10.580 2.752 1.00 0.00 H ATOM 113 N PRO A1121 13.666 -13.898 3.314 1.00 16.42 N ATOM 114 CA PRO A1121 13.977 -14.691 4.480 1.00 16.52 C ATOM 115 C PRO A1121 14.529 -13.863 5.634 1.00 16.69 C ATOM 116 O PRO A1121 15.260 -12.877 5.446 1.00 16.88 O ATOM 117 CB PRO A1121 14.985 -15.726 3.925 1.00 16.91 C ATOM 118 CG PRO A1121 14.649 -15.815 2.495 1.00 16.32 C ATOM 119 CD PRO A1121 14.348 -14.402 2.120 1.00 16.99 C ATOM 120 N ILE A1122 14.146 -14.291 6.817 1.00 18.56 N ATOM 121 CA ILE A1122 14.464 -13.587 8.018 1.00 19.07 C ATOM 122 C ILE A1122 15.956 -13.705 8.293 1.00 18.40 C ATOM 123 O ILE A1122 16.500 -14.816 8.193 1.00 22.10 O ATOM 124 CB ILE A1122 13.727 -14.175 9.231 1.00 20.22 C ATOM 125 CG1 ILE A1122 12.198 -14.133 9.037 1.00 21.78 C ATOM 126 CG2 ILE A1122 14.074 -13.398 10.477 1.00 21.03 C ATOM 127 CD1 ILE A1122 11.508 -15.308 9.720 1.00 23.65 C ATOM 128 H ILE A1122 13.594 -15.170 6.880 1.00 0.00 H ATOM 129 N PRO A1123 16.617 -12.594 8.619 1.00 17.36 N ATOM 130 CA PRO A1123 18.019 -12.729 8.974 1.00 17.45 C ATOM 131 C PRO A1123 18.262 -13.720 10.118 1.00 16.83 C ATOM 132 O PRO A1123 17.486 -13.795 11.097 1.00 18.45 O ATOM 133 CB PRO A1123 18.419 -11.329 9.406 1.00 18.44 C ATOM 134 CG PRO A1123 17.428 -10.418 8.766 1.00 18.99 C ATOM 135 CD PRO A1123 16.188 -11.185 8.589 1.00 19.05 C ATOM 136 N ALA A1124 19.348 -14.477 10.021 1.00 19.90 N ATOM 137 CA ALA A1124 19.738 -15.370 11.137 1.00 19.32 C ATOM 138 C ALA A1124 20.057 -14.597 12.431 1.00 20.64 C ATOM 139 O ALA A1124 19.954 -15.175 13.500 1.00 24.45 O ATOM 140 CB ALA A1124 20.921 -16.250 10.728 1.00 19.98 C ATOM 141 H ALA A1124 19.927 -14.443 9.158 1.00 0.00 H ATOM 142 N ALA A1125 20.385 -13.309 12.359 1.00 20.53 N ATOM 143 CA ALA A1125 20.484 -12.476 13.574 1.00 24.01 C ATOM 144 C ALA A1125 19.121 -12.306 14.292 1.00 24.71 C ATOM 145 O ALA A1125 19.076 -11.998 15.493 1.00 25.69 O ATOM 146 CB ALA A1125 21.054 -11.126 13.224 1.00 26.02 C ATOM 147 H ALA A1125 20.575 -12.882 11.430 1.00 0.00 H ATOM 148 N GLY A1126 18.018 -12.560 13.586 1.00 21.55 N ATOM 149 CA GLY A1126 16.688 -12.427 14.157 1.00 21.69 C ATOM 150 C GLY A1126 16.314 -10.941 14.036 1.00 20.07 C ATOM 151 O GLY A1126 16.879 -10.180 13.244 1.00 21.44 O ATOM 152 H GLY A1126 18.113 -12.863 12.596 1.00 0.00 H ATOM 153 N LEU A1127 15.379 -10.547 14.866 1.00 18.73 N ATOM 154 CA LEU A1127 14.866 -9.176 14.842 1.00 18.61 C ATOM 155 C LEU A1127 15.092 -8.558 16.190 1.00 18.00 C ATOM 156 O LEU A1127 15.084 -9.260 17.188 1.00 20.02 O ATOM 157 CB LEU A1127 13.384 -9.231 14.592 1.00 19.38 C ATOM 158 CG LEU A1127 12.944 -9.807 13.247 1.00 20.08 C ATOM 159 CD1 LEU A1127 11.441 -9.946 13.213 1.00 20.28 C ATOM 160 CD2 LEU A1127 13.444 -8.929 12.123 1.00 22.12 C ATOM 161 H LEU A1127 14.993 -11.223 15.556 1.00 0.00 H ATOM 162 N ASP A1128 15.223 -7.239 16.245 1.00 16.24 N ATOM 163 CA ASP A1128 15.326 -6.521 17.490 1.00 16.78 C ATOM 164 C ASP A1128 14.202 -5.510 17.506 1.00 15.02 C ATOM 165 O ASP A1128 14.240 -4.471 16.821 1.00 14.50 O ATOM 166 CB ASP A1128 16.658 -5.812 17.589 1.00 19.56 C ATOM 167 CG ASP A1128 16.784 -4.979 18.846 1.00 21.30 C ATOM 168 OD1 ASP A1128 15.857 -4.846 19.676 1.00 20.64 O ATOM 169 OD2 ASP A1128 17.890 -4.402 18.963 1.00 27.42 O ATOM 170 H ASP A1128 15.253 -6.702 15.355 1.00 0.00 H ATOM 171 N VAL A1129 13.158 -5.838 18.256 1.00 13.15 N ATOM 172 CA VAL A1129 12.005 -4.959 18.267 1.00 14.16 C ATOM 173 C VAL A1129 12.217 -3.576 18.913 1.00 13.81 C ATOM 174 O VAL A1129 11.335 -2.713 18.759 1.00 14.04 O ATOM 175 CB VAL A1129 10.747 -5.578 18.901 1.00 15.69 C ATOM 176 CG1 VAL A1129 10.391 -6.904 18.242 1.00 15.85 C ATOM 177 CG2 VAL A1129 10.975 -5.728 20.392 1.00 16.63 C ATOM 178 H VAL A1129 13.166 -6.709 18.825 1.00 0.00 H ATOM 179 N THR A1130 13.357 -3.410 19.590 1.00 12.79 N ATOM 180 CA THR A1130 13.723 -2.132 20.162 1.00 14.32 C ATOM 181 C THR A1130 14.689 -1.360 19.275 1.00 13.95 C ATOM 182 O THR A1130 15.156 -0.277 19.669 1.00 15.12 O ATOM 183 CB THR A1130 14.318 -2.277 21.582 1.00 14.63 C ATOM 184 OG1 THR A1130 15.610 -2.871 21.542 1.00 15.36 O ATOM 185 CG2 THR A1130 13.395 -3.026 22.483 1.00 15.13 C ATOM 186 HG1 THR A1130 15.964 -2.950 22.463 1.00 0.00 H ATOM 187 H THR A1130 13.998 -4.220 19.709 1.00 0.00 H ATOM 188 N GLN A1131 14.963 -1.836 18.057 1.00 12.48 N ATOM 189 CA GLN A1131 15.893 -1.160 17.169 1.00 13.29 C ATOM 190 C GLN A1131 15.314 0.183 16.775 1.00 13.44 C ATOM 191 O GLN A1131 14.131 0.250 16.406 1.00 13.05 O ATOM 192 CB GLN A1131 16.103 -2.026 15.922 1.00 13.96 C ATOM 193 CG GLN A1131 17.084 -1.429 14.920 1.00 14.31 C ATOM 194 CD GLN A1131 17.437 -2.392 13.819 1.00 15.17 C ATOM 195 OE1 GLN A1131 17.392 -3.621 14.016 1.00 16.04 O ATOM 196 NE2 GLN A1131 17.794 -1.874 12.673 1.00 15.23 N ATOM 197 HE22 GLN A1131 17.817 -0.841 12.554 1.00 0.00 H ATOM 198 HE21 GLN A1131 18.055 -2.495 11.880 1.00 0.00 H ATOM 199 H GLN A1131 14.500 -2.711 17.737 1.00 0.00 H ATOM 200 N PRO A1132 16.104 1.263 16.817 1.00 12.57 N ATOM 201 CA PRO A1132 15.557 2.569 16.455 1.00 12.38 C ATOM 202 C PRO A1132 15.437 2.789 14.959 1.00 11.68 C ATOM 203 O PRO A1132 16.022 2.049 14.146 1.00 11.52 O ATOM 204 CB PRO A1132 16.557 3.538 17.077 1.00 13.83 C ATOM 205 CG PRO A1132 17.818 2.815 16.997 1.00 14.45 C ATOM 206 CD PRO A1132 17.488 1.370 17.272 1.00 13.35 C ATOM 207 N CYS A1133 14.762 3.892 14.600 1.00 11.49 N ATOM 208 CA CYS A1133 14.680 4.285 13.214 1.00 11.30 C ATOM 209 C CYS A1133 16.018 4.532 12.617 1.00 12.79 C ATOM 210 O CYS A1133 16.837 5.252 13.213 1.00 13.75 O ATOM 211 CB CYS A1133 13.843 5.577 13.065 1.00 11.67 C ATOM 212 SG CYS A1133 13.676 6.161 11.402 1.00 12.14 S ATOM 213 H CYS A1133 14.294 4.469 15.328 1.00 0.00 H ATOM 214 N GLY A1134 16.301 3.909 11.472 1.00 12.38 N ATOM 215 CA GLY A1134 17.615 4.067 10.842 1.00 14.75 C ATOM 216 C GLY A1134 17.940 5.479 10.369 1.00 17.02 C ATOM 217 O GLY A1134 19.137 5.788 10.130 1.00 18.42 O ATOM 218 H GLY A1134 15.583 3.306 11.022 1.00 0.00 H ATOM 219 N ASP A1135 16.929 6.330 10.262 1.00 16.03 N ATOM 220 CA ASP A1135 17.109 7.688 9.754 1.00 16.52 C ATOM 221 C ASP A1135 17.114 8.731 10.869 1.00 16.30 C ATOM 222 O ASP A1135 18.061 9.543 10.944 1.00 16.11 O ATOM 223 CB ASP A1135 16.019 7.975 8.731 1.00 16.78 C ATOM 224 CG ASP A1135 16.201 9.287 8.074 1.00 17.50 C ATOM 225 OD1 ASP A1135 16.554 10.247 8.774 1.00 20.56 O ATOM 226 OD2 ASP A1135 15.988 9.360 6.864 1.00 18.18 O ATOM 227 H ASP A1135 15.978 6.021 10.549 1.00 0.00 H ATOM 228 N CYS A1136 16.095 8.740 11.734 1.00 14.78 N ATOM 229 CA CYS A1136 16.035 9.795 12.815 1.00 15.26 C ATOM 230 C CYS A1136 16.410 9.261 14.176 1.00 15.16 C ATOM 231 O CYS A1136 16.499 10.036 15.109 1.00 16.25 O ATOM 232 CB CYS A1136 14.645 10.435 12.846 1.00 14.90 C ATOM 233 SG CYS A1136 13.291 9.388 13.355 1.00 13.38 S ATOM 234 H CYS A1136 15.345 8.023 11.663 1.00 0.00 H ATOM 235 N GLY A1137 16.607 7.936 14.338 1.00 15.69 N ATOM 236 CA GLY A1137 16.938 7.383 15.663 1.00 15.19 C ATOM 237 C GLY A1137 15.817 7.262 16.679 1.00 14.28 C ATOM 238 O GLY A1137 16.052 6.860 17.817 1.00 16.19 O ATOM 239 H GLY A1137 16.524 7.299 13.520 1.00 0.00 H ATOM 240 N THR A1138 14.570 7.605 16.321 1.00 14.53 N ATOM 241 CA THR A1138 13.457 7.479 17.286 1.00 14.78 C ATOM 242 C THR A1138 13.255 6.062 17.723 1.00 15.64 C ATOM 243 O THR A1138 13.407 5.125 16.905 1.00 13.56 O ATOM 244 CB THR A1138 12.102 8.027 16.767 1.00 15.49 C ATOM 245 OG1 THR A1138 11.153 8.067 17.830 1.00 16.86 O ATOM 246 CG2 THR A1138 11.535 7.172 15.611 1.00 15.65 C ATOM 247 HG1 THR A1138 10.292 8.418 17.489 1.00 0.00 H ATOM 248 H THR A1138 14.386 7.961 15.361 1.00 0.00 H ATOM 249 N ILE A1139 12.891 5.891 18.988 1.00 16.59 N ATOM 250 CA ILE A1139 12.461 4.597 19.534 1.00 16.80 C ATOM 251 C ILE A1139 10.961 4.333 19.385 1.00 17.89 C ATOM 252 O ILE A1139 10.511 3.235 19.681 1.00 19.83 O ATOM 253 CB ILE A1139 12.795 4.465 21.022 1.00 19.92 C ATOM 254 CG1 ILE A1139 11.942 5.449 21.866 1.00 20.23 C ATOM 255 CG2 ILE A1139 14.287 4.644 21.224 1.00 21.72 C ATOM 256 CD1 ILE A1139 12.012 5.254 23.361 1.00 21.88 C ATOM 257 H ILE A1139 12.911 6.714 19.624 1.00 0.00 H ATOM 258 N GLN A1140 10.220 5.311 18.868 1.00 16.29 N ATOM 259 CA GLN A1140 8.768 5.231 18.736 1.00 17.02 C ATOM 260 C GLN A1140 8.218 4.732 17.381 1.00 16.54 C ATOM 261 O GLN A1140 8.712 5.088 16.329 1.00 18.08 O ATOM 262 CB GLN A1140 8.228 6.610 18.952 1.00 16.09 C ATOM 263 CG GLN A1140 8.527 7.172 20.298 1.00 17.50 C ATOM 264 CD GLN A1140 7.922 8.554 20.429 1.00 18.88 C ATOM 265 OE1 GLN A1140 6.681 8.688 20.400 1.00 19.44 O ATOM 266 NE2 GLN A1140 8.753 9.549 20.603 1.00 19.18 N ATOM 267 HE22 GLN A1140 9.778 9.374 20.618 1.00 0.00 H ATOM 268 HE21 GLN A1140 8.389 10.515 20.727 1.00 0.00 H ATOM 269 H GLN A1140 10.699 6.175 18.542 1.00 0.00 H ATOM 270 N GLU A1141 7.195 3.909 17.465 1.00 16.49 N ATOM 271 CA GLU A1141 6.414 3.459 16.333 1.00 16.86 C ATOM 272 C GLU A1141 7.264 2.982 15.159 1.00 13.81 C ATOM 273 O GLU A1141 6.952 3.267 14.002 1.00 16.02 O ATOM 274 CB GLU A1141 5.504 4.586 15.816 1.00 20.06 C ATOM 275 CG GLU A1141 4.603 5.177 16.860 1.00 23.89 C ATOM 276 CD GLU A1141 3.208 4.601 16.800 1.00 24.15 C ATOM 277 OE1 GLU A1141 2.645 4.570 15.677 1.00 22.42 O ATOM 278 OE2 GLU A1141 2.686 4.256 17.882 1.00 25.82 O ATOM 279 H GLU A1141 6.930 3.559 18.408 1.00 0.00 H ATOM 280 N ASN A1142 8.298 2.194 15.461 1.00 11.97 N ATOM 281 CA ASN A1142 9.063 1.621 14.375 1.00 10.81 C ATOM 282 C ASN A1142 8.405 0.387 13.706 1.00 10.41 C ATOM 283 O ASN A1142 7.660 -0.375 14.306 1.00 11.22 O ATOM 284 CB ASN A1142 10.510 1.344 14.801 1.00 11.88 C ATOM 285 CG ASN A1142 11.267 2.648 15.070 1.00 12.24 C ATOM 286 OD1 ASN A1142 11.349 3.492 14.181 1.00 13.10 O ATOM 287 ND2 ASN A1142 11.798 2.819 16.267 1.00 13.50 N ATOM 288 HD22 ASN A1142 11.703 2.076 16.989 1.00 0.00 H ATOM 289 HD21 ASN A1142 12.311 3.696 16.488 1.00 0.00 H ATOM 290 H ASN A1142 8.547 1.997 16.451 1.00 0.00 H ATOM 291 N TRP A1143 8.805 0.195 12.477 1.00 10.07 N ATOM 292 CA TRP A1143 8.419 -0.911 11.604 1.00 10.07 C ATOM 293 C TRP A1143 9.690 -1.491 11.002 1.00 9.59 C ATOM 294 O TRP A1143 10.713 -0.800 10.891 1.00 9.86 O ATOM 295 CB TRP A1143 7.530 -0.434 10.468 1.00 9.88 C ATOM 296 CG TRP A1143 6.238 0.167 10.855 1.00 10.60 C ATOM 297 CD1 TRP A1143 6.035 1.376 11.457 1.00 11.46 C ATOM 298 CD2 TRP A1143 4.926 -0.412 10.692 1.00 10.69 C ATOM 299 NE1 TRP A1143 4.699 1.588 11.668 1.00 12.53 N ATOM 300 CE2 TRP A1143 3.999 0.519 11.194 1.00 11.46 C ATOM 301 CE3 TRP A1143 4.431 -1.610 10.147 1.00 10.77 C ATOM 302 CZ2 TRP A1143 2.617 0.290 11.154 1.00 11.50 C ATOM 303 CZ3 TRP A1143 3.070 -1.807 10.085 1.00 11.95 C ATOM 304 CH2 TRP A1143 2.188 -0.894 10.590 1.00 11.62 C ATOM 305 HE1 TRP A1143 4.285 2.429 12.118 1.00 0.00 H ATOM 306 H TRP A1143 9.462 0.898 12.082 1.00 0.00 H ATOM 307 N VAL A1144 9.651 -2.789 10.677 1.00 9.91 N ATOM 308 CA VAL A1144 10.801 -3.424 9.984 1.00 10.41 C ATOM 309 C VAL A1144 10.281 -3.819 8.590 1.00 9.67 C ATOM 310 O VAL A1144 9.174 -4.370 8.417 1.00 9.54 O ATOM 311 CB VAL A1144 11.340 -4.653 10.733 1.00 10.67 C ATOM 312 CG1 VAL A1144 10.289 -5.744 10.972 1.00 11.30 C ATOM 313 CG2 VAL A1144 12.558 -5.217 10.028 1.00 11.02 C ATOM 314 H VAL A1144 8.811 -3.356 10.911 1.00 0.00 H ATOM 315 N CYS A1145 11.093 -3.587 7.575 1.00 9.24 N ATOM 316 CA CYS A1145 10.702 -3.923 6.219 1.00 9.89 C ATOM 317 C CYS A1145 10.924 -5.410 5.982 1.00 10.13 C ATOM 318 O CYS A1145 11.978 -5.929 6.226 1.00 9.70 O ATOM 319 CB CYS A1145 11.536 -3.123 5.251 1.00 9.89 C ATOM 320 SG CYS A1145 11.143 -3.446 3.533 1.00 10.38 S ATOM 321 H CYS A1145 12.024 -3.158 7.750 1.00 0.00 H ATOM 322 N LEU A1146 9.902 -6.080 5.504 1.00 10.06 N ATOM 323 CA LEU A1146 9.949 -7.537 5.277 1.00 10.70 C ATOM 324 C LEU A1146 10.645 -7.921 3.990 1.00 11.64 C ATOM 325 O LEU A1146 10.767 -9.116 3.733 1.00 11.85 O ATOM 326 CB LEU A1146 8.561 -8.103 5.358 1.00 12.08 C ATOM 327 CG LEU A1146 7.913 -7.928 6.724 1.00 12.48 C ATOM 328 CD1 LEU A1146 6.538 -8.584 6.710 1.00 13.38 C ATOM 329 CD2 LEU A1146 8.750 -8.487 7.849 1.00 13.25 C ATOM 330 H LEU A1146 9.027 -5.565 5.277 1.00 0.00 H ATOM 331 N SER A1147 11.143 -6.956 3.232 1.00 10.86 N ATOM 332 CA SER A1147 12.059 -7.260 2.108 1.00 12.00 C ATOM 333 C SER A1147 13.528 -7.174 2.556 1.00 12.61 C ATOM 334 O SER A1147 14.272 -8.123 2.350 1.00 13.76 O ATOM 335 CB SER A1147 11.784 -6.385 0.905 1.00 11.95 C ATOM 336 OG SER A1147 10.463 -6.583 0.447 1.00 12.88 O ATOM 337 HG SER A1147 9.826 -6.351 1.169 1.00 0.00 H ATOM 338 H SER A1147 10.887 -5.968 3.429 1.00 0.00 H ATOM 339 N CYS A1148 13.989 -6.024 3.094 1.00 12.20 N ATOM 340 CA CYS A1148 15.409 -5.836 3.383 1.00 12.53 C ATOM 341 C CYS A1148 15.734 -5.647 4.877 1.00 12.35 C ATOM 342 O CYS A1148 16.891 -5.451 5.250 1.00 12.14 O ATOM 343 CB CYS A1148 15.997 -4.748 2.532 1.00 12.80 C ATOM 344 SG CYS A1148 15.662 -3.047 3.114 1.00 15.85 S ATOM 345 H CYS A1148 13.320 -5.257 3.307 1.00 0.00 H ATOM 346 N TYR A1149 14.733 -5.740 5.749 1.00 11.03 N ATOM 347 CA TYR A1149 14.935 -5.763 7.212 1.00 11.19 C ATOM 348 C TYR A1149 15.594 -4.520 7.829 1.00 11.86 C ATOM 349 O TYR A1149 16.132 -4.575 8.946 1.00 13.03 O ATOM 350 CB TYR A1149 15.546 -7.118 7.658 1.00 12.62 C ATOM 351 CG TYR A1149 14.542 -8.227 7.412 1.00 12.65 C ATOM 352 CD1 TYR A1149 14.467 -8.859 6.170 1.00 13.22 C ATOM 353 CD2 TYR A1149 13.597 -8.596 8.368 1.00 13.24 C ATOM 354 CE1 TYR A1149 13.531 -9.852 5.917 1.00 13.23 C ATOM 355 CE2 TYR A1149 12.666 -9.586 8.128 1.00 13.28 C ATOM 356 CZ TYR A1149 12.630 -10.228 6.901 1.00 13.70 C ATOM 357 OH TYR A1149 11.681 -11.161 6.693 1.00 14.64 O ATOM 358 HH TYR A1149 11.778 -11.531 5.780 1.00 0.00 H ATOM 359 H TYR A1149 13.761 -5.799 5.383 1.00 0.00 H ATOM 360 N GLN A1150 15.448 -3.394 7.126 1.00 10.74 N ATOM 361 CA GLN A1150 15.778 -2.092 7.712 1.00 11.89 C ATOM 362 C GLN A1150 14.580 -1.651 8.543 1.00 10.80 C ATOM 363 O GLN A1150 13.413 -2.024 8.264 1.00 11.91 O ATOM 364 CB GLN A1150 16.126 -1.099 6.639 1.00 12.18 C ATOM 365 CG GLN A1150 17.466 -1.475 5.973 1.00 14.11 C ATOM 366 CD GLN A1150 17.796 -0.623 4.750 1.00 16.41 C ATOM 367 OE1 GLN A1150 17.206 0.418 4.491 1.00 17.69 O ATOM 368 NE2 GLN A1150 18.750 -1.120 3.940 1.00 17.70 N ATOM 369 HE22 GLN A1150 19.233 -2.007 4.188 1.00 0.00 H ATOM 370 HE21 GLN A1150 19.004 -0.617 3.066 1.00 0.00 H ATOM 371 H GLN A1150 15.095 -3.442 6.149 1.00 0.00 H ATOM 372 N VAL A1151 14.879 -0.861 9.573 1.00 9.83 N ATOM 373 CA VAL A1151 13.900 -0.410 10.537 1.00 9.48 C ATOM 374 C VAL A1151 13.730 1.091 10.419 1.00 10.15 C ATOM 375 O VAL A1151 14.703 1.824 10.448 1.00 11.26 O ATOM 376 CB VAL A1151 14.321 -0.793 11.991 1.00 9.27 C ATOM 377 CG1 VAL A1151 13.387 -0.203 13.062 1.00 10.19 C ATOM 378 CG2 VAL A1151 14.392 -2.313 12.143 1.00 9.36 C ATOM 379 H VAL A1151 15.866 -0.553 9.690 1.00 0.00 H ATOM 380 N TYR A1152 12.481 1.543 10.279 1.00 8.72 N ATOM 381 CA TYR A1152 12.209 2.972 10.116 1.00 8.82 C ATOM 382 C TYR A1152 10.876 3.278 10.798 1.00 8.83 C ATOM 383 O TYR A1152 10.030 2.398 10.946 1.00 8.81 O ATOM 384 CB TYR A1152 12.135 3.382 8.650 1.00 9.24 C ATOM 385 CG TYR A1152 13.416 3.236 7.849 1.00 10.56 C ATOM 386 CD1 TYR A1152 14.499 4.071 8.090 1.00 12.11 C ATOM 387 CD2 TYR A1152 13.526 2.264 6.869 1.00 10.93 C ATOM 388 CE1 TYR A1152 15.650 3.953 7.361 1.00 14.48 C ATOM 389 CE2 TYR A1152 14.739 2.105 6.146 1.00 12.63 C ATOM 390 CZ TYR A1152 15.769 2.964 6.416 1.00 14.68 C ATOM 391 OH TYR A1152 16.961 2.834 5.712 1.00 16.91 O ATOM 392 HH TYR A1152 17.341 1.934 5.872 1.00 0.00 H ATOM 393 H TYR A1152 11.689 0.869 10.286 1.00 0.00 H ATOM 394 N CYS A1153 10.709 4.550 11.149 1.00 9.53 N ATOM 395 CA CYS A1153 9.534 4.961 11.914 1.00 10.56 C ATOM 396 C CYS A1153 8.261 5.126 11.115 1.00 10.91 C ATOM 397 O CYS A1153 8.252 5.335 9.908 1.00 10.95 O ATOM 398 CB CYS A1153 9.825 6.215 12.731 1.00 12.11 C ATOM 399 SG CYS A1153 10.118 7.707 11.746 1.00 12.52 S ATOM 400 H CYS A1153 11.421 5.258 10.877 1.00 0.00 H ATOM 401 N GLY A1154 7.181 5.012 11.870 1.00 11.05 N ATOM 402 CA GLY A1154 5.843 5.150 11.306 1.00 11.73 C ATOM 403 C GLY A1154 5.393 6.553 10.929 1.00 13.15 C ATOM 404 O GLY A1154 6.009 7.557 11.271 1.00 13.97 O ATOM 405 H GLY A1154 7.288 4.820 12.887 1.00 0.00 H ATOM 406 N ARG A1155 4.233 6.589 10.253 1.00 13.74 N ATOM 407 CA ARG A1155 3.699 7.837 9.710 1.00 15.66 C ATOM 408 C ARG A1155 3.407 8.909 10.765 1.00 15.87 C ATOM 409 O ARG A1155 3.562 10.096 10.476 1.00 17.22 O ATOM 410 CB ARG A1155 2.403 7.552 8.874 1.00 18.75 C ATOM 411 CG ARG A1155 1.181 7.096 9.663 1.00 23.09 C ATOM 412 CD ARG A1155 0.165 6.251 8.851 1.00 25.55 C ATOM 413 NE ARG A1155 -0.911 5.651 9.662 1.00 30.00 N ATOM 414 CZ ARG A1155 -0.798 4.603 10.505 1.00 34.47 C ATOM 415 NH1 ARG A1155 -1.850 4.137 11.177 1.00 39.50 N ATOM 416 NH2 ARG A1155 0.359 3.992 10.691 1.00 35.01 N ATOM 417 HE ARG A1155 -1.854 6.080 9.575 1.00 0.00 H ATOM 418 HH12 ARG A1155 -1.739 3.328 11.821 1.00 0.00 H ATOM 419 HH11 ARG A1155 -2.782 4.582 11.057 1.00 0.00 H ATOM 420 HH22 ARG A1155 0.422 3.186 11.346 1.00 0.00 H ATOM 421 HH21 ARG A1155 1.206 4.317 10.183 1.00 0.00 H ATOM 422 H ARG A1155 3.701 5.707 10.112 1.00 0.00 H ATOM 423 N TYR A1156 3.078 8.510 11.984 1.00 15.09 N ATOM 424 CA TYR A1156 2.808 9.490 13.060 1.00 16.33 C ATOM 425 C TYR A1156 4.022 10.048 13.757 1.00 18.16 C ATOM 426 O TYR A1156 3.888 10.974 14.572 1.00 17.74 O ATOM 427 CB TYR A1156 1.819 8.890 14.050 1.00 15.47 C ATOM 428 CG TYR A1156 0.440 8.605 13.422 1.00 15.79 C ATOM 429 CD1 TYR A1156 -0.231 9.608 12.695 1.00 16.16 C ATOM 430 CD2 TYR A1156 -0.142 7.347 13.443 1.00 16.72 C ATOM 431 CE1 TYR A1156 -1.499 9.367 12.119 1.00 16.67 C ATOM 432 CE2 TYR A1156 -1.393 7.096 12.876 1.00 16.31 C ATOM 433 CZ TYR A1156 -2.062 8.122 12.167 1.00 17.12 C ATOM 434 OH TYR A1156 -3.314 7.938 11.573 1.00 20.37 O ATOM 435 HH TYR A1156 -3.596 8.779 11.132 1.00 0.00 H ATOM 436 H TYR A1156 3.008 7.493 12.189 1.00 0.00 H ATOM 437 N ILE A1157 5.220 9.521 13.479 1.00 15.26 N ATOM 438 CA ILE A1157 6.458 10.067 13.972 1.00 16.18 C ATOM 439 C ILE A1157 7.056 10.874 12.845 1.00 16.64 C ATOM 440 O ILE A1157 6.621 12.016 12.627 1.00 18.10 O ATOM 441 CB ILE A1157 7.393 8.969 14.550 1.00 15.80 C ATOM 442 CG1 ILE A1157 6.632 8.042 15.479 1.00 15.91 C ATOM 443 CG2 ILE A1157 8.624 9.658 15.204 1.00 17.53 C ATOM 444 CD1 ILE A1157 6.061 8.720 16.715 1.00 16.93 C ATOM 445 H ILE A1157 5.259 8.674 12.876 1.00 0.00 H ATOM 446 N ASN A1158 8.017 10.371 12.084 1.00 15.54 N ATOM 447 CA ASN A1158 8.620 11.150 10.997 1.00 16.31 C ATOM 448 C ASN A1158 8.415 10.513 9.600 1.00 15.88 C ATOM 449 O ASN A1158 8.888 11.034 8.640 1.00 16.13 O ATOM 450 CB ASN A1158 10.095 11.407 11.279 1.00 16.82 C ATOM 451 CG ASN A1158 10.287 12.357 12.452 1.00 19.85 C ATOM 452 OD1 ASN A1158 9.588 13.364 12.489 1.00 19.81 O ATOM 453 ND2 ASN A1158 11.153 12.026 13.409 1.00 19.09 N ATOM 454 HD22 ASN A1158 11.719 11.158 13.321 1.00 0.00 H ATOM 455 HD21 ASN A1158 11.263 12.636 14.244 1.00 0.00 H ATOM 456 H ASN A1158 8.351 9.402 12.261 1.00 0.00 H ATOM 457 N GLY A1159 7.678 9.419 9.538 1.00 14.39 N ATOM 458 CA GLY A1159 7.321 8.793 8.278 1.00 13.82 C ATOM 459 C GLY A1159 8.451 8.217 7.472 1.00 13.23 C ATOM 460 O GLY A1159 8.401 8.162 6.231 1.00 13.66 O ATOM 461 H GLY A1159 7.341 8.991 10.424 1.00 0.00 H ATOM 462 N HIS A1160 9.496 7.760 8.137 1.00 12.44 N ATOM 463 CA HIS A1160 10.637 7.225 7.436 1.00 12.81 C ATOM 464 C HIS A1160 10.366 5.894 6.776 1.00 12.22 C ATOM 465 O HIS A1160 10.961 5.646 5.722 1.00 12.23 O ATOM 466 CB HIS A1160 11.876 7.228 8.327 1.00 12.56 C ATOM 467 CG HIS A1160 12.335 8.625 8.587 1.00 13.48 C ATOM 468 ND1 HIS A1160 12.598 9.127 9.860 1.00 16.25 N ATOM 469 CD2 HIS A1160 12.554 9.636 7.718 1.00 17.12 C ATOM 470 CE1 HIS A1160 12.962 10.402 9.728 1.00 15.02 C ATOM 471 NE2 HIS A1160 12.937 10.734 8.449 1.00 16.81 N ATOM 472 H HIS A1160 9.496 7.786 9.177 1.00 0.00 H ATOM 473 N MET A1161 9.466 5.072 7.321 1.00 11.85 N ATOM 474 CA MET A1161 9.163 3.825 6.604 1.00 10.90 C ATOM 475 C MET A1161 8.387 4.102 5.318 1.00 10.46 C ATOM 476 O MET A1161 8.647 3.471 4.286 1.00 11.39 O ATOM 477 CB MET A1161 8.463 2.752 7.460 1.00 10.13 C ATOM 478 CG MET A1161 8.324 1.382 6.766 1.00 9.69 C ATOM 479 SD MET A1161 9.948 0.700 6.328 1.00 9.79 S ATOM 480 CE MET A1161 10.409 -0.098 7.848 1.00 9.95 C ATOM 481 H MET A1161 8.997 5.305 8.219 1.00 0.00 H ATOM 482 N LEU A1162 7.470 5.087 5.345 1.00 12.16 N ATOM 483 CA LEU A1162 6.777 5.482 4.126 1.00 13.67 C ATOM 484 C LEU A1162 7.781 6.017 3.098 1.00 14.15 C ATOM 485 O LEU A1162 7.725 5.662 1.913 1.00 14.64 O ATOM 486 CB LEU A1162 5.660 6.497 4.475 1.00 14.84 C ATOM 487 CG LEU A1162 4.839 7.025 3.307 1.00 19.07 C ATOM 488 CD1 LEU A1162 4.087 5.977 2.536 1.00 18.11 C ATOM 489 CD2 LEU A1162 3.866 8.047 3.893 1.00 19.99 C ATOM 490 H LEU A1162 7.255 5.569 6.241 1.00 0.00 H ATOM 491 N GLN A1163 8.769 6.806 3.529 1.00 13.45 N ATOM 492 CA GLN A1163 9.783 7.281 2.638 1.00 14.62 C ATOM 493 C GLN A1163 10.588 6.115 2.047 1.00 12.85 C ATOM 494 O GLN A1163 10.898 6.089 0.843 1.00 14.14 O ATOM 495 CB GLN A1163 10.696 8.281 3.357 1.00 17.73 C ATOM 496 CG GLN A1163 11.826 8.861 2.547 1.00 22.21 C ATOM 497 CD GLN A1163 12.606 9.909 3.347 1.00 26.56 C ATOM 498 OE1 GLN A1163 12.140 10.373 4.387 1.00 27.81 O ATOM 499 NE2 GLN A1163 13.804 10.271 2.867 1.00 33.80 N ATOM 500 HE22 GLN A1163 14.158 9.852 1.983 1.00 0.00 H ATOM 501 HE21 GLN A1163 14.379 10.971 3.378 1.00 0.00 H ATOM 502 H GLN A1163 8.802 7.080 4.532 1.00 0.00 H ATOM 503 N HIS A1164 10.927 5.140 2.883 1.00 12.17 N ATOM 504 CA HIS A1164 11.649 3.961 2.438 1.00 11.31 C ATOM 505 C HIS A1164 10.846 3.212 1.379 1.00 11.34 C ATOM 506 O HIS A1164 11.391 2.764 0.377 1.00 11.47 O ATOM 507 CB HIS A1164 12.002 3.058 3.605 1.00 10.93 C ATOM 508 CG HIS A1164 12.599 1.732 3.181 1.00 9.92 C ATOM 509 ND1 HIS A1164 13.888 1.636 2.654 1.00 11.93 N ATOM 510 CD2 HIS A1164 12.099 0.476 3.176 1.00 10.72 C ATOM 511 CE1 HIS A1164 14.152 0.353 2.425 1.00 11.05 C ATOM 512 NE2 HIS A1164 13.066 -0.367 2.667 1.00 10.28 N ATOM 513 H HIS A1164 10.668 5.223 3.887 1.00 0.00 H ATOM 514 N HIS A1165 9.566 3.054 1.606 1.00 11.40 N ATOM 515 CA HIS A1165 8.700 2.462 0.583 1.00 10.69 C ATOM 516 C HIS A1165 8.835 3.242 -0.718 1.00 10.95 C ATOM 517 O HIS A1165 8.950 2.647 -1.781 1.00 12.08 O ATOM 518 CB HIS A1165 7.238 2.425 1.013 1.00 12.08 C ATOM 519 CG HIS A1165 6.302 2.129 -0.121 1.00 11.62 C ATOM 520 ND1 HIS A1165 6.194 0.886 -0.707 1.00 11.42 N ATOM 521 CD2 HIS A1165 5.492 2.954 -0.826 1.00 12.34 C ATOM 522 CE1 HIS A1165 5.348 0.970 -1.729 1.00 12.43 C ATOM 523 NE2 HIS A1165 4.902 2.209 -1.817 1.00 13.70 N ATOM 524 H HIS A1165 9.162 3.350 2.517 1.00 0.00 H ATOM 525 N GLY A1166 8.776 4.560 -0.620 1.00 11.88 N ATOM 526 CA GLY A1166 8.810 5.337 -1.840 1.00 13.08 C ATOM 527 C GLY A1166 10.106 5.189 -2.596 1.00 12.64 C ATOM 528 O GLY A1166 10.094 5.183 -3.839 1.00 14.67 O ATOM 529 H GLY A1166 8.707 5.025 0.308 1.00 0.00 H ATOM 530 N ASN A1167 11.247 5.069 -1.933 1.00 13.35 N ATOM 531 CA ASN A1167 12.518 5.052 -2.631 1.00 14.02 C ATOM 532 C ASN A1167 13.107 3.665 -2.830 1.00 13.37 C ATOM 533 O ASN A1167 14.216 3.524 -3.421 1.00 13.31 O ATOM 534 CB ASN A1167 13.530 5.977 -1.934 1.00 14.29 C ATOM 535 CG ASN A1167 14.024 5.436 -0.579 1.00 14.91 C ATOM 536 OD1 ASN A1167 14.359 4.257 -0.451 1.00 15.44 O ATOM 537 ND2 ASN A1167 14.115 6.318 0.416 1.00 17.37 N ATOM 538 HD22 ASN A1167 13.821 7.304 0.265 1.00 0.00 H ATOM 539 HD21 ASN A1167 14.480 6.020 1.343 1.00 0.00 H ATOM 540 H ASN A1167 11.231 4.986 -0.896 1.00 0.00 H ATOM 541 N SER A1168 12.374 2.643 -2.353 1.00 12.49 N ATOM 542 CA SER A1168 12.746 1.252 -2.614 1.00 11.70 C ATOM 543 C SER A1168 11.711 0.438 -3.406 1.00 11.89 C ATOM 544 O SER A1168 12.064 -0.567 -4.019 1.00 12.81 O ATOM 545 CB SER A1168 13.051 0.477 -1.298 1.00 11.92 C ATOM 546 OG SER A1168 11.828 0.282 -0.569 1.00 12.72 O ATOM 547 HG SER A1168 11.431 1.162 -0.352 1.00 0.00 H ATOM 548 H SER A1168 11.525 2.846 -1.787 1.00 0.00 H ATOM 549 N GLY A1169 10.431 0.813 -3.237 1.00 11.99 N ATOM 550 CA GLY A1169 9.278 0.064 -3.696 1.00 11.91 C ATOM 551 C GLY A1169 8.934 -1.158 -2.859 1.00 11.97 C ATOM 552 O GLY A1169 8.047 -1.930 -3.219 1.00 12.06 O ATOM 553 H GLY A1169 10.255 1.709 -2.739 1.00 0.00 H ATOM 554 N HIS A1170 9.639 -1.354 -1.736 1.00 10.95 N ATOM 555 CA HIS A1170 9.379 -2.540 -0.920 1.00 10.74 C ATOM 556 C HIS A1170 7.963 -2.455 -0.326 1.00 10.18 C ATOM 557 O HIS A1170 7.582 -1.398 0.180 1.00 11.77 O ATOM 558 CB HIS A1170 10.408 -2.716 0.207 1.00 10.61 C ATOM 559 CG HIS A1170 11.788 -3.010 -0.282 1.00 10.04 C ATOM 560 ND1 HIS A1170 12.929 -2.832 0.473 1.00 11.04 N ATOM 561 CD2 HIS A1170 12.203 -3.347 -1.533 1.00 10.47 C ATOM 562 CE1 HIS A1170 13.986 -3.165 -0.273 1.00 10.35 C ATOM 563 NE2 HIS A1170 13.574 -3.447 -1.499 1.00 10.65 N ATOM 564 H HIS A1170 10.365 -0.668 -1.447 1.00 0.00 H ATOM 565 N PRO A1171 7.188 -3.554 -0.403 1.00 10.19 N ATOM 566 CA PRO A1171 5.740 -3.478 -0.173 1.00 9.90 C ATOM 567 C PRO A1171 5.218 -3.583 1.287 1.00 9.11 C ATOM 568 O PRO A1171 4.289 -2.856 1.654 1.00 9.69 O ATOM 569 CB PRO A1171 5.218 -4.679 -0.950 1.00 9.69 C ATOM 570 CG PRO A1171 6.350 -5.674 -0.967 1.00 10.12 C ATOM 571 CD PRO A1171 7.572 -4.816 -1.069 1.00 10.33 C ATOM 572 N LEU A1172 5.802 -4.523 2.023 1.00 9.50 N ATOM 573 CA LEU A1172 5.239 -5.029 3.263 1.00 9.42 C ATOM 574 C LEU A1172 6.184 -4.755 4.430 1.00 8.96 C ATOM 575 O LEU A1172 7.402 -5.028 4.364 1.00 10.36 O ATOM 576 CB LEU A1172 4.986 -6.532 3.164 1.00 10.16 C ATOM 577 CG LEU A1172 3.711 -6.911 2.465 1.00 11.09 C ATOM 578 CD1 LEU A1172 3.801 -8.241 1.738 1.00 12.88 C ATOM 579 CD2 LEU A1172 2.597 -6.912 3.505 1.00 11.63 C ATOM 580 H LEU A1172 6.707 -4.916 1.695 1.00 0.00 H ATOM 581 N VAL A1173 5.583 -4.242 5.511 1.00 9.15 N ATOM 582 CA VAL A1173 6.314 -3.813 6.700 1.00 9.11 C ATOM 583 C VAL A1173 5.570 -4.329 7.952 1.00 10.48 C ATOM 584 O VAL A1173 4.340 -4.434 7.947 1.00 11.07 O ATOM 585 CB VAL A1173 6.519 -2.261 6.694 1.00 9.21 C ATOM 586 CG1 VAL A1173 7.373 -1.816 5.502 1.00 9.81 C ATOM 587 CG2 VAL A1173 5.241 -1.463 6.712 1.00 9.99 C ATOM 588 H VAL A1173 4.548 -4.145 5.503 1.00 0.00 H ATOM 589 N LEU A1174 6.337 -4.688 8.974 1.00 10.12 N ATOM 590 CA LEU A1174 5.855 -5.266 10.213 1.00 10.47 C ATOM 591 C LEU A1174 6.018 -4.301 11.373 1.00 10.73 C ATOM 592 O LEU A1174 7.083 -3.760 11.584 1.00 9.81 O ATOM 593 CB LEU A1174 6.587 -6.579 10.495 1.00 11.98 C ATOM 594 CG LEU A1174 6.313 -7.358 11.793 1.00 12.95 C ATOM 595 CD1 LEU A1174 4.880 -7.852 11.706 1.00 15.03 C ATOM 596 CD2 LEU A1174 7.251 -8.527 12.081 1.00 15.53 C ATOM 597 H LEU A1174 7.362 -4.544 8.879 1.00 0.00 H ATOM 598 N SER A1175 4.932 -4.105 12.133 1.00 10.70 N ATOM 599 CA SER A1175 4.955 -3.164 13.253 1.00 10.88 C ATOM 600 C SER A1175 5.548 -3.774 14.474 1.00 12.64 C ATOM 601 O SER A1175 5.142 -4.875 14.913 1.00 12.49 O ATOM 602 CB SER A1175 3.515 -2.792 13.597 1.00 11.02 C ATOM 603 OG SER A1175 3.526 -2.028 14.803 1.00 11.94 O ATOM 604 HG SER A1175 4.066 -1.209 14.669 1.00 0.00 H ATOM 605 H SER A1175 4.059 -4.630 11.923 1.00 0.00 H ATOM 606 N TYR A1176 6.545 -3.072 15.051 1.00 12.66 N ATOM 607 CA TYR A1176 7.076 -3.474 16.344 1.00 12.19 C ATOM 608 C TYR A1176 6.194 -3.070 17.527 1.00 14.28 C ATOM 609 O TYR A1176 6.544 -3.386 18.684 1.00 16.11 O ATOM 610 CB TYR A1176 8.502 -2.921 16.449 1.00 12.07 C ATOM 611 CG TYR A1176 9.546 -3.668 15.660 1.00 11.86 C ATOM 612 CD1 TYR A1176 9.373 -4.983 15.232 1.00 12.79 C ATOM 613 CD2 TYR A1176 10.773 -3.027 15.356 1.00 12.03 C ATOM 614 CE1 TYR A1176 10.387 -5.648 14.601 1.00 13.07 C ATOM 615 CE2 TYR A1176 11.802 -3.697 14.747 1.00 12.92 C ATOM 616 CZ TYR A1176 11.595 -5.020 14.360 1.00 13.89 C ATOM 617 OH TYR A1176 12.570 -5.722 13.740 1.00 14.87 O ATOM 618 HH TYR A1176 13.363 -5.774 14.330 1.00 0.00 H ATOM 619 H TYR A1176 6.936 -2.238 14.568 1.00 0.00 H ATOM 620 N ILE A1177 5.056 -2.419 17.270 1.00 13.89 N ATOM 621 CA ILE A1177 4.065 -2.170 18.330 1.00 15.84 C ATOM 622 C ILE A1177 3.153 -3.393 18.506 1.00 16.96 C ATOM 623 O ILE A1177 2.994 -3.897 19.629 1.00 17.33 O ATOM 624 CB ILE A1177 3.292 -0.893 18.088 1.00 18.08 C ATOM 625 CG1 ILE A1177 4.264 0.271 18.245 1.00 21.99 C ATOM 626 CG2 ILE A1177 2.121 -0.745 19.062 1.00 17.57 C ATOM 627 CD1 ILE A1177 3.714 1.638 18.097 1.00 24.78 C ATOM 628 H ILE A1177 4.867 -2.082 16.304 1.00 0.00 H ATOM 629 N ASP A1178 2.539 -3.848 17.444 1.00 16.13 N ATOM 630 CA ASP A1178 1.499 -4.886 17.566 1.00 16.55 C ATOM 631 C ASP A1178 1.662 -6.088 16.636 1.00 16.52 C ATOM 632 O ASP A1178 0.788 -6.955 16.602 1.00 17.05 O ATOM 633 CB ASP A1178 0.093 -4.267 17.413 1.00 17.83 C ATOM 634 CG ASP A1178 -0.232 -3.865 15.997 1.00 20.19 C ATOM 635 OD1 ASP A1178 0.634 -3.901 15.104 1.00 17.17 O ATOM 636 OD2 ASP A1178 -1.381 -3.488 15.766 1.00 25.59 O ATOM 637 H ASP A1178 2.787 -3.474 16.506 1.00 0.00 H ATOM 638 N LEU A1179 2.772 -6.150 15.886 1.00 14.24 N ATOM 639 CA LEU A1179 3.075 -7.259 14.985 1.00 14.81 C ATOM 640 C LEU A1179 2.063 -7.421 13.841 1.00 14.58 C ATOM 641 O LEU A1179 2.017 -8.504 13.247 1.00 16.48 O ATOM 642 CB LEU A1179 3.241 -8.573 15.763 1.00 16.03 C ATOM 643 CG LEU A1179 4.042 -8.503 17.058 1.00 18.09 C ATOM 644 CD1 LEU A1179 4.107 -9.850 17.763 1.00 19.47 C ATOM 645 CD2 LEU A1179 5.436 -7.982 16.770 1.00 18.36 C ATOM 646 H LEU A1179 3.453 -5.367 15.949 1.00 0.00 H ATOM 647 N SER A1180 1.359 -6.362 13.494 1.00 14.74 N ATOM 648 CA SER A1180 0.601 -6.340 12.259 1.00 15.02 C ATOM 649 C SER A1180 1.535 -6.040 11.076 1.00 14.69 C ATOM 650 O SER A1180 2.567 -5.388 11.225 1.00 14.68 O ATOM 651 CB SER A1180 -0.454 -5.283 12.305 1.00 15.57 C ATOM 652 OG SER A1180 0.094 -4.013 12.466 1.00 20.08 O ATOM 653 HG SER A1180 0.605 -3.980 13.313 1.00 0.00 H ATOM 654 H SER A1180 1.347 -5.529 14.116 1.00 0.00 H ATOM 655 N ALA A1181 1.136 -6.467 9.895 1.00 12.93 N ATOM 656 CA ALA A1181 1.876 -6.284 8.654 1.00 12.69 C ATOM 657 C ALA A1181 1.011 -5.471 7.712 1.00 13.22 C ATOM 658 O ALA A1181 -0.180 -5.757 7.523 1.00 13.07 O ATOM 659 CB ALA A1181 2.223 -7.621 8.039 1.00 12.64 C ATOM 660 H ALA A1181 0.228 -6.971 9.846 1.00 0.00 H ATOM 661 N TRP A1182 1.568 -4.362 7.210 1.00 11.56 N ATOM 662 CA TRP A1182 0.927 -3.424 6.323 1.00 11.76 C ATOM 663 C TRP A1182 1.528 -3.516 4.948 1.00 11.38 C ATOM 664 O TRP A1182 2.761 -3.555 4.804 1.00 11.12 O ATOM 665 CB TRP A1182 1.076 -1.959 6.827 1.00 11.59 C ATOM 666 CG TRP A1182 0.461 -0.892 6.017 1.00 12.44 C ATOM 667 CD1 TRP A1182 1.092 -0.016 5.165 1.00 14.18 C ATOM 668 CD2 TRP A1182 -0.940 -0.572 5.938 1.00 12.59 C ATOM 669 NE1 TRP A1182 0.193 0.827 4.579 1.00 13.80 N ATOM 670 CE2 TRP A1182 -1.062 0.550 5.064 1.00 12.78 C ATOM 671 CE3 TRP A1182 -2.097 -1.058 6.583 1.00 12.70 C ATOM 672 CZ2 TRP A1182 -2.316 1.138 4.751 1.00 14.44 C ATOM 673 CZ3 TRP A1182 -3.333 -0.453 6.284 1.00 14.59 C ATOM 674 CH2 TRP A1182 -3.419 0.631 5.385 1.00 13.82 C ATOM 675 HE1 TRP A1182 0.421 1.561 3.878 1.00 0.00 H ATOM 676 H TRP A1182 2.550 -4.159 7.484 1.00 0.00 H ATOM 677 N CYS A1183 0.676 -3.549 3.919 1.00 10.80 N ATOM 678 CA CYS A1183 1.134 -3.430 2.553 1.00 11.01 C ATOM 679 C CYS A1183 0.853 -2.044 2.043 1.00 11.35 C ATOM 680 O CYS A1183 -0.293 -1.638 1.951 1.00 10.59 O ATOM 681 CB CYS A1183 0.468 -4.435 1.618 1.00 11.76 C ATOM 682 SG CYS A1183 1.071 -4.296 -0.086 1.00 10.41 S ATOM 683 H CYS A1183 -0.341 -3.663 4.105 1.00 0.00 H ATOM 684 N TYR A1184 1.879 -1.348 1.609 1.00 10.90 N ATOM 685 CA TYR A1184 1.703 0.041 1.135 1.00 11.25 C ATOM 686 C TYR A1184 0.992 0.124 -0.212 1.00 13.07 C ATOM 687 O TYR A1184 0.420 1.163 -0.533 1.00 15.28 O ATOM 688 CB TYR A1184 3.045 0.773 1.012 1.00 11.44 C ATOM 689 CG TYR A1184 3.684 1.170 2.322 1.00 10.86 C ATOM 690 CD1 TYR A1184 3.195 2.248 3.083 1.00 11.44 C ATOM 691 CD2 TYR A1184 4.796 0.490 2.817 1.00 11.40 C ATOM 692 CE1 TYR A1184 3.780 2.609 4.311 1.00 11.22 C ATOM 693 CE2 TYR A1184 5.367 0.816 4.045 1.00 11.81 C ATOM 694 CZ TYR A1184 4.879 1.894 4.770 1.00 12.98 C ATOM 695 OH TYR A1184 5.457 2.223 5.949 1.00 13.40 O ATOM 696 HH TYR A1184 4.993 3.008 6.335 1.00 0.00 H ATOM 697 H TYR A1184 2.825 -1.779 1.599 1.00 0.00 H ATOM 698 N TYR A1185 1.090 -0.909 -1.024 1.00 11.33 N ATOM 699 CA TYR A1185 0.485 -0.924 -2.352 1.00 12.16 C ATOM 700 C TYR A1185 -1.006 -1.184 -2.170 1.00 12.91 C ATOM 701 O TYR A1185 -1.826 -0.480 -2.737 1.00 14.56 O ATOM 702 CB TYR A1185 1.078 -2.014 -3.227 1.00 12.83 C ATOM 703 CG TYR A1185 2.478 -1.748 -3.701 1.00 12.93 C ATOM 704 CD1 TYR A1185 2.706 -0.997 -4.826 1.00 13.75 C ATOM 705 CD2 TYR A1185 3.555 -2.330 -3.078 1.00 11.79 C ATOM 706 CE1 TYR A1185 4.003 -0.793 -5.293 1.00 14.50 C ATOM 707 CE2 TYR A1185 4.850 -2.122 -3.513 1.00 11.90 C ATOM 708 CZ TYR A1185 5.043 -1.346 -4.634 1.00 13.45 C ATOM 709 OH TYR A1185 6.302 -1.170 -5.072 1.00 13.88 O ATOM 710 HH TYR A1185 6.839 -0.736 -4.363 1.00 0.00 H ATOM 711 H TYR A1185 1.619 -1.746 -0.706 1.00 0.00 H ATOM 712 N CYS A1186 -1.326 -2.239 -1.410 1.00 13.36 N ATOM 713 CA CYS A1186 -2.763 -2.624 -1.225 1.00 13.72 C ATOM 714 C CYS A1186 -3.433 -1.728 -0.234 1.00 14.85 C ATOM 715 O CYS A1186 -4.689 -1.728 -0.191 1.00 16.02 O ATOM 716 CB CYS A1186 -2.845 -4.087 -0.804 1.00 14.36 C ATOM 717 SG CYS A1186 -2.186 -5.301 -2.003 1.00 14.95 S ATOM 718 H CYS A1186 -0.577 -2.792 -0.947 1.00 0.00 H ATOM 719 N GLN A1187 -2.671 -0.960 0.548 1.00 14.77 N ATOM 720 CA GLN A1187 -3.192 -0.025 1.575 1.00 16.42 C ATOM 721 C GLN A1187 -4.110 -0.769 2.517 1.00 14.88 C ATOM 722 O GLN A1187 -5.271 -0.423 2.750 1.00 16.21 O ATOM 723 CB GLN A1187 -3.858 1.206 0.970 1.00 19.71 C ATOM 724 CG GLN A1187 -2.995 1.901 -0.056 1.00 24.62 C ATOM 725 CD GLN A1187 -3.516 3.293 -0.415 1.00 29.70 C ATOM 726 OE1 GLN A1187 -4.082 3.489 -1.481 1.00 36.27 O ATOM 727 NE2 GLN A1187 -3.325 4.243 0.484 1.00 34.86 N ATOM 728 HE22 GLN A1187 -2.837 4.024 1.376 1.00 0.00 H ATOM 729 HE21 GLN A1187 -3.662 5.209 0.299 1.00 0.00 H ATOM 730 H GLN A1187 -1.640 -1.022 0.429 1.00 0.00 H ATOM 731 N ALA A1188 -3.569 -1.864 3.016 1.00 13.96 N ATOM 732 CA ALA A1188 -4.265 -2.794 3.905 1.00 13.93 C ATOM 733 C ALA A1188 -3.305 -3.578 4.778 1.00 13.28 C ATOM 734 O ALA A1188 -2.146 -3.844 4.375 1.00 12.08 O ATOM 735 CB ALA A1188 -5.091 -3.802 3.110 1.00 14.25 C ATOM 736 H ALA A1188 -2.584 -2.080 2.761 1.00 0.00 H ATOM 737 N TYR A1189 -3.811 -4.051 5.928 1.00 13.12 N ATOM 738 CA TYR A1189 -3.155 -5.066 6.676 1.00 13.87 C ATOM 739 C TYR A1189 -3.328 -6.425 6.035 1.00 13.13 C ATOM 740 O TYR A1189 -4.395 -6.731 5.450 1.00 12.80 O ATOM 741 CB TYR A1189 -3.690 -5.092 8.100 1.00 13.93 C ATOM 742 CG TYR A1189 -3.319 -3.903 8.913 1.00 16.91 C ATOM 743 CD1 TYR A1189 -2.033 -3.751 9.415 1.00 17.11 C ATOM 744 CD2 TYR A1189 -4.250 -2.955 9.207 1.00 18.25 C ATOM 745 CE1 TYR A1189 -1.698 -2.657 10.192 1.00 20.61 C ATOM 746 CE2 TYR A1189 -3.898 -1.843 9.965 1.00 21.71 C ATOM 747 CZ TYR A1189 -2.637 -1.731 10.436 1.00 20.66 C ATOM 748 OH TYR A1189 -2.305 -0.634 11.220 1.00 27.08 O ATOM 749 HH TYR A1189 -1.353 -0.695 11.485 1.00 0.00 H ATOM 750 H TYR A1189 -4.709 -3.664 6.282 1.00 0.00 H ATOM 751 N VAL A1190 -2.298 -7.240 6.081 1.00 13.10 N ATOM 752 CA VAL A1190 -2.274 -8.562 5.480 1.00 13.48 C ATOM 753 C VAL A1190 -1.826 -9.565 6.533 1.00 14.64 C ATOM 754 O VAL A1190 -0.882 -9.295 7.291 1.00 13.72 O ATOM 755 CB VAL A1190 -1.323 -8.572 4.267 1.00 13.08 C ATOM 756 CG1 VAL A1190 -1.302 -9.932 3.616 1.00 14.31 C ATOM 757 CG2 VAL A1190 -1.679 -7.472 3.292 1.00 13.99 C ATOM 758 H VAL A1190 -1.445 -6.917 6.580 1.00 0.00 H ATOM 759 N HIS A1191 -2.446 -10.746 6.585 1.00 14.30 N ATOM 760 CA HIS A1191 -1.928 -11.828 7.371 1.00 14.75 C ATOM 761 C HIS A1191 -2.028 -13.091 6.552 1.00 15.74 C ATOM 762 O HIS A1191 -3.069 -13.311 5.938 1.00 16.06 O ATOM 763 CB HIS A1191 -2.650 -11.993 8.709 1.00 15.54 C ATOM 764 CG HIS A1191 -2.052 -13.078 9.541 1.00 16.89 C ATOM 765 ND1 HIS A1191 -0.865 -12.915 10.218 1.00 15.95 N ATOM 766 CD2 HIS A1191 -2.396 -14.373 9.700 1.00 18.69 C ATOM 767 CE1 HIS A1191 -0.494 -14.063 10.753 1.00 19.07 C ATOM 768 NE2 HIS A1191 -1.409 -14.967 10.455 1.00 20.31 N ATOM 769 H HIS A1191 -3.323 -10.884 6.044 1.00 0.00 H ATOM 770 N HIS A1192 -0.984 -13.872 6.574 1.00 15.91 N ATOM 771 CA HIS A1192 -0.910 -15.118 5.840 1.00 17.99 C ATOM 772 C HIS A1192 0.151 -16.008 6.491 1.00 18.19 C ATOM 773 O HIS A1192 1.080 -15.535 7.175 1.00 15.80 O ATOM 774 CB HIS A1192 -0.560 -14.738 4.380 1.00 17.35 C ATOM 775 CG HIS A1192 -0.525 -15.873 3.423 1.00 18.14 C ATOM 776 ND1 HIS A1192 0.562 -16.705 3.316 1.00 19.31 N ATOM 777 CD2 HIS A1192 -1.437 -16.312 2.526 1.00 20.76 C ATOM 778 CE1 HIS A1192 0.322 -17.610 2.384 1.00 20.25 C ATOM 779 NE2 HIS A1192 -0.888 -17.397 1.891 1.00 20.62 N ATOM 780 H HIS A1192 -0.164 -13.586 7.147 1.00 0.00 H ATOM 781 N GLN A1193 0.039 -17.332 6.316 1.00 21.97 N ATOM 782 CA GLN A1193 1.095 -18.269 6.758 1.00 24.96 C ATOM 783 C GLN A1193 2.533 -17.849 6.435 1.00 24.28 C ATOM 784 O GLN A1193 3.430 -18.052 7.245 1.00 23.83 O ATOM 785 CB GLN A1193 0.832 -19.685 6.141 1.00 28.70 C ATOM 786 CG GLN A1193 0.830 -20.850 7.121 1.00 31.86 C ATOM 787 CD GLN A1193 0.448 -22.208 6.477 1.00 36.62 C ATOM 788 OE1 GLN A1193 -0.277 -22.280 5.462 1.00 38.81 O ATOM 789 NE2 GLN A1193 0.912 -23.288 7.089 1.00 37.05 N ATOM 790 HE22 GLN A1193 1.513 -23.190 7.932 1.00 0.00 H ATOM 791 HE21 GLN A1193 0.675 -24.233 6.726 1.00 0.00 H ATOM 792 H GLN A1193 -0.814 -17.711 5.857 1.00 0.00 H ATOM 793 N ALA A1194 2.775 -17.250 5.269 1.00 23.71 N ATOM 794 CA ALA A1194 4.090 -16.736 4.880 1.00 22.19 C ATOM 795 C ALA A1194 4.648 -15.696 5.874 1.00 22.22 C ATOM 796 O ALA A1194 5.843 -15.422 5.864 1.00 24.40 O ATOM 797 CB ALA A1194 4.024 -16.125 3.493 1.00 23.31 C ATOM 798 H ALA A1194 1.987 -17.142 4.599 1.00 0.00 H ATOM 799 N LEU A1195 3.751 -15.074 6.655 1.00 18.11 N ATOM 800 CA LEU A1195 4.161 -14.077 7.691 1.00 19.27 C ATOM 801 C LEU A1195 4.283 -14.628 9.115 1.00 20.20 C ATOM 802 O LEU A1195 4.783 -13.924 10.018 1.00 17.32 O ATOM 803 CB LEU A1195 3.187 -12.901 7.713 1.00 17.79 C ATOM 804 CG LEU A1195 3.000 -12.204 6.366 1.00 17.71 C ATOM 805 CD1 LEU A1195 2.057 -11.033 6.463 1.00 17.17 C ATOM 806 CD2 LEU A1195 4.336 -11.785 5.770 1.00 19.44 C ATOM 807 H LEU A1195 2.741 -15.292 6.536 1.00 0.00 H ATOM 808 N LEU A1196 3.873 -15.879 9.337 1.00 19.38 N ATOM 809 CA LEU A1196 3.892 -16.426 10.681 1.00 19.94 C ATOM 810 C LEU A1196 5.304 -16.497 11.305 1.00 19.61 C ATOM 811 O LEU A1196 5.457 -16.143 12.488 1.00 17.28 O ATOM 812 CB LEU A1196 3.132 -17.771 10.759 1.00 21.67 C ATOM 813 H LEU A1196 3.539 -16.463 8.544 1.00 0.00 H ATOM 814 N ASP A1197 6.341 -16.924 10.565 1.00 20.01 N ATOM 815 CA ASP A1197 7.653 -17.084 11.185 1.00 21.35 C ATOM 816 C ASP A1197 8.223 -15.745 11.632 1.00 19.58 C ATOM 817 O ASP A1197 8.806 -15.646 12.693 1.00 19.83 O ATOM 818 CB ASP A1197 8.685 -17.750 10.269 1.00 23.95 C ATOM 819 CG ASP A1197 8.428 -19.263 10.061 1.00 26.56 C ATOM 820 OD1 ASP A1197 7.648 -19.881 10.807 1.00 30.05 O ATOM 821 OD2 ASP A1197 9.035 -19.802 9.119 1.00 29.78 O ATOM 822 H ASP A1197 6.210 -17.139 9.556 1.00 0.00 H ATOM 823 N VAL A1198 8.098 -14.722 10.781 1.00 18.32 N ATOM 824 CA VAL A1198 8.669 -13.430 11.120 1.00 18.57 C ATOM 825 C VAL A1198 7.858 -12.807 12.270 1.00 17.72 C ATOM 826 O VAL A1198 8.442 -12.197 13.159 1.00 18.36 O ATOM 827 CB VAL A1198 8.813 -12.490 9.914 1.00 19.26 C ATOM 828 CG1 VAL A1198 7.466 -12.009 9.371 1.00 17.66 C ATOM 829 CG2 VAL A1198 9.638 -11.300 10.278 1.00 20.04 C ATOM 830 H VAL A1198 7.594 -14.850 9.880 1.00 0.00 H ATOM 831 N LYS A1199 6.533 -12.930 12.271 1.00 16.53 N ATOM 832 CA LYS A1199 5.738 -12.431 13.404 1.00 15.19 C ATOM 833 C LYS A1199 6.135 -13.136 14.696 1.00 15.65 C ATOM 834 O LYS A1199 6.266 -12.493 15.758 1.00 15.87 O ATOM 835 CB LYS A1199 4.225 -12.575 13.173 1.00 15.47 C ATOM 836 CG LYS A1199 3.708 -11.559 12.136 1.00 14.14 C ATOM 837 CD LYS A1199 2.215 -11.593 11.966 1.00 14.60 C ATOM 838 CE LYS A1199 1.720 -10.558 11.003 1.00 14.28 C ATOM 839 NZ LYS A1199 0.245 -10.416 11.087 1.00 13.48 N ATOM 840 HZ1 LYS A1199 -0.203 -11.326 10.859 1.00 0.00 H ATOM 841 HZ2 LYS A1199 -0.020 -10.130 12.051 1.00 0.00 H ATOM 842 HZ3 LYS A1199 -0.072 -9.693 10.410 1.00 0.00 H ATOM 843 H LYS A1199 6.056 -13.382 11.465 1.00 0.00 H ATOM 844 N ASN A1200 6.280 -14.453 14.631 1.00 15.99 N ATOM 845 CA ASN A1200 6.679 -15.173 15.827 1.00 17.59 C ATOM 846 C ASN A1200 8.086 -14.861 16.339 1.00 18.17 C ATOM 847 O ASN A1200 8.281 -14.812 17.545 1.00 19.14 O ATOM 848 CB ASN A1200 6.539 -16.686 15.626 1.00 19.32 C ATOM 849 CG ASN A1200 5.117 -17.126 15.467 1.00 20.31 C ATOM 850 OD1 ASN A1200 4.174 -16.518 15.953 1.00 24.12 O ATOM 851 ND2 ASN A1200 4.949 -18.254 14.760 1.00 25.84 N ATOM 852 HD22 ASN A1200 5.774 -18.745 14.361 1.00 0.00 H ATOM 853 HD21 ASN A1200 3.994 -18.637 14.611 1.00 0.00 H ATOM 854 H ASN A1200 6.111 -14.961 13.739 1.00 0.00 H ATOM 855 N ILE A1201 9.049 -14.626 15.469 1.00 17.40 N ATOM 856 CA ILE A1201 10.389 -14.187 15.893 1.00 18.87 C ATOM 857 C ILE A1201 10.276 -12.832 16.611 1.00 17.67 C ATOM 858 O ILE A1201 10.922 -12.554 17.650 1.00 17.52 O ATOM 859 CB ILE A1201 11.385 -14.143 14.702 1.00 20.00 C ATOM 860 CG1 ILE A1201 11.669 -15.548 14.170 1.00 23.38 C ATOM 861 CG2 ILE A1201 12.693 -13.432 15.022 1.00 22.04 C ATOM 862 CD1 ILE A1201 12.321 -16.473 15.164 1.00 25.09 C ATOM 863 H ILE A1201 8.857 -14.754 14.455 1.00 0.00 H ATOM 864 N ALA A1202 9.519 -11.929 16.019 1.00 15.86 N ATOM 865 CA ALA A1202 9.262 -10.639 16.656 1.00 14.79 C ATOM 866 C ALA A1202 8.573 -10.766 18.004 1.00 15.74 C ATOM 867 O ALA A1202 8.932 -10.116 18.968 1.00 16.83 O ATOM 868 CB ALA A1202 8.471 -9.747 15.717 1.00 14.91 C ATOM 869 H ALA A1202 9.101 -12.137 15.090 1.00 0.00 H ATOM 870 N HIS A1203 7.609 -11.666 18.088 1.00 15.97 N ATOM 871 CA HIS A1203 6.845 -11.890 19.322 1.00 18.78 C ATOM 872 C HIS A1203 7.794 -12.406 20.406 1.00 19.30 C ATOM 873 O HIS A1203 7.735 -11.924 21.550 1.00 17.67 O ATOM 874 CB HIS A1203 5.688 -12.868 19.071 1.00 20.76 C ATOM 875 CG HIS A1203 4.706 -12.974 20.199 1.00 22.08 C ATOM 876 ND1 HIS A1203 4.987 -13.661 21.360 1.00 26.37 N ATOM 877 CD2 HIS A1203 3.435 -12.528 20.322 1.00 24.91 C ATOM 878 CE1 HIS A1203 3.938 -13.614 22.155 1.00 25.26 C ATOM 879 NE2 HIS A1203 2.982 -12.936 21.551 1.00 27.12 N ATOM 880 H HIS A1203 7.383 -12.237 17.249 1.00 0.00 H ATOM 881 N GLN A1204 8.664 -13.367 20.070 1.00 21.25 N ATOM 882 CA GLN A1204 9.613 -13.922 21.054 1.00 21.30 C ATOM 883 C GLN A1204 10.578 -12.843 21.550 1.00 22.73 C ATOM 884 O GLN A1204 10.947 -12.810 22.732 1.00 21.66 O ATOM 885 CB GLN A1204 10.430 -15.052 20.470 1.00 23.48 C ATOM 886 CG GLN A1204 9.630 -16.323 20.235 1.00 26.52 C ATOM 887 H GLN A1204 8.671 -13.730 19.095 1.00 0.00 H ATOM 888 N ASN A1205 10.998 -11.962 20.641 1.00 19.64 N ATOM 889 CA ASN A1205 11.944 -10.919 21.017 1.00 20.08 C ATOM 890 C ASN A1205 11.258 -9.859 21.856 1.00 19.48 C ATOM 891 O ASN A1205 11.869 -9.362 22.829 1.00 18.96 O ATOM 892 CB ASN A1205 12.616 -10.288 19.802 1.00 20.08 C ATOM 893 CG ASN A1205 13.666 -9.257 20.195 1.00 24.20 C ATOM 894 OD1 ASN A1205 13.464 -8.067 20.019 1.00 23.65 O ATOM 895 ND2 ASN A1205 14.767 -9.714 20.803 1.00 24.12 N ATOM 896 HD22 ASN A1205 14.902 -10.737 20.934 1.00 0.00 H ATOM 897 HD21 ASN A1205 15.488 -9.046 21.145 1.00 0.00 H ATOM 898 H ASN A1205 10.650 -12.019 19.663 1.00 0.00 H ATOM 899 N LYS A1206 10.020 -9.534 21.517 1.00 17.20 N ATOM 900 CA LYS A1206 9.264 -8.494 22.213 1.00 17.63 C ATOM 901 C LYS A1206 8.818 -8.960 23.591 1.00 20.21 C ATOM 902 O LYS A1206 8.987 -8.254 24.568 1.00 18.94 O ATOM 903 CB LYS A1206 8.057 -8.051 21.406 1.00 16.94 C ATOM 904 CG LYS A1206 7.263 -6.895 21.978 1.00 16.52 C ATOM 905 CD LYS A1206 6.299 -6.313 20.967 1.00 15.65 C ATOM 906 CE LYS A1206 5.513 -5.104 21.471 1.00 16.33 C ATOM 907 NZ LYS A1206 6.214 -3.799 21.356 1.00 18.24 N ATOM 908 HZ1 LYS A1206 7.095 -3.830 21.908 1.00 0.00 H ATOM 909 HZ2 LYS A1206 6.436 -3.613 20.357 1.00 0.00 H ATOM 910 HZ3 LYS A1206 5.600 -3.044 21.723 1.00 0.00 H ATOM 911 H LYS A1206 9.569 -10.037 20.726 1.00 0.00 H ATOM 912 N PHE A1207 8.220 -10.158 23.656 1.00 21.92 N ATOM 913 CA PHE A1207 7.586 -10.664 24.893 1.00 23.47 C ATOM 914 C PHE A1207 8.388 -11.829 25.437 1.00 28.07 C ATOM 915 O PHE A1207 8.479 -11.977 26.673 1.00 36.16 O ATOM 916 CB PHE A1207 6.151 -11.115 24.605 1.00 23.46 C ATOM 917 CG PHE A1207 5.280 -10.046 24.004 1.00 22.43 C ATOM 918 CD1 PHE A1207 4.838 -8.975 24.776 1.00 23.20 C ATOM 919 CD2 PHE A1207 4.942 -10.059 22.639 1.00 24.08 C ATOM 920 CE1 PHE A1207 4.031 -7.976 24.218 1.00 23.17 C ATOM 921 CE2 PHE A1207 4.125 -9.065 22.084 1.00 23.48 C ATOM 922 CZ PHE A1207 3.681 -8.016 22.868 1.00 24.95 C ATOM 923 H PHE A1207 8.201 -10.754 22.804 1.00 0.00 H TER 924 PHE A1207 HETATM 925 ZN ZN A 1 12.925 -2.365 2.443 1.00 12.31 ZN HETATM 926 ZN ZN A 2 12.434 8.111 11.635 1.00 14.21 ZN HETATM 927 ZN ZN A 3 -0.005 -5.965 -1.287 1.00 13.43 ZN HETATM 928 O HOH 4 21.269 -17.240 14.078 1.00 30.36 O HETATM 929 O HOH 5 -3.943 -16.416 4.847 1.00 26.69 O HETATM 930 O HOH 6 10.524 8.415 -0.825 1.00 25.09 O HETATM 931 O HOH 7 17.375 6.422 20.017 1.00 21.09 O HETATM 932 O HOH 8 4.796 6.876 20.511 1.00 24.39 O HETATM 933 O HOH 9 2.750 2.459 14.130 1.00 32.42 O HETATM 934 O HOH 10 17.854 -8.368 11.575 1.00 28.82 O HETATM 935 O HOH 11 4.836 0.294 14.573 1.00 18.97 O HETATM 936 O HOH 12 17.796 1.102 12.360 1.00 17.67 O HETATM 937 O HOH 13 5.079 11.561 8.799 1.00 40.42 O HETATM 938 O HOH 14 16.817 -3.235 23.928 1.00 21.95 O HETATM 939 O HOH 15 15.259 -5.473 13.833 1.00 14.03 O HETATM 940 O HOH 16 6.028 -18.341 7.961 1.00 27.05 O HETATM 941 O HOH 17 8.247 -6.013 1.906 1.00 12.88 O HETATM 942 O HOH 18 6.299 5.840 7.867 1.00 12.79 O HETATM 943 O HOH 19 7.724 -15.172 7.824 1.00 20.76 O HETATM 944 O HOH 20 11.797 -0.095 17.779 1.00 15.63 O HETATM 945 O HOH 21 -1.350 -7.846 15.154 1.00 26.48 O HETATM 946 O HOH 22 11.099 -15.528 1.572 1.00 28.62 O HETATM 947 O HOH 23 -1.226 -9.627 13.276 1.00 19.94 O HETATM 948 O HOH 24 -1.169 -8.238 9.822 1.00 13.84 O HETATM 949 O HOH 25 18.257 -3.537 10.369 1.00 27.19 O HETATM 950 O HOH 26 4.741 -1.610 22.178 1.00 24.02 O HETATM 951 O HOH 27 10.155 -1.384 20.891 1.00 20.00 O HETATM 952 O HOH 28 11.397 3.468 -5.608 1.00 19.55 O HETATM 953 O HOH 29 13.350 -13.633 18.519 1.00 23.29 O HETATM 954 O HOH 30 18.568 -16.428 7.221 1.00 31.39 O HETATM 955 O HOH 31 19.320 -4.237 4.554 1.00 21.44 O HETATM 956 O HOH 32 -10.526 -10.134 5.508 1.00 30.47 O HETATM 957 O HOH 33 14.885 -6.432 21.842 1.00 33.84 O HETATM 958 O HOH 34 -0.891 2.636 -2.568 1.00 33.55 O HETATM 959 O HOH 35 20.769 -15.019 7.628 1.00 24.34 O HETATM 960 O HOH 36 12.788 -6.716 23.286 1.00 19.20 O HETATM 961 O HOH 37 16.130 -6.200 11.277 1.00 18.55 O HETATM 962 O HOH 38 16.721 12.827 14.622 1.00 28.20 O HETATM 963 O HOH 39 7.052 10.086 4.632 1.00 29.17 O HETATM 964 O HOH 40 -2.268 -18.921 -0.072 1.00 30.24 O HETATM 965 O HOH 41 3.164 5.843 13.185 1.00 17.39 O HETATM 966 O HOH 42 3.424 12.803 11.350 1.00 28.34 O HETATM 967 O HOH 43 11.765 0.945 20.821 1.00 21.03 O HETATM 968 O HOH 44 -2.341 -18.356 5.130 1.00 25.35 O HETATM 969 O HOH 45 10.764 -2.881 -5.079 1.00 24.80 O HETATM 970 O HOH 46 6.366 7.179 -0.102 1.00 28.56 O HETATM 971 O HOH 47 4.411 -8.156 -6.198 1.00 19.79 O HETATM 972 O HOH 48 17.634 0.036 9.699 1.00 16.82 O HETATM 973 O HOH 49 1.995 -12.878 -3.270 1.00 18.16 O HETATM 974 O HOH 50 15.351 -12.318 17.184 1.00 26.03 O HETATM 975 O HOH 51 -4.640 3.891 6.872 1.00 30.91 O HETATM 976 O HOH 52 18.023 -1.579 20.331 1.00 25.92 O HETATM 977 O HOH 53 1.997 -12.625 -6.194 1.00 30.30 O HETATM 978 O HOH 54 7.352 -19.882 13.806 1.00 31.20 O HETATM 979 O HOH 55 16.033 -15.763 12.866 1.00 33.70 O HETATM 980 O HOH 56 12.698 -16.966 6.940 1.00 32.58 O HETATM 981 O HOH 57 18.828 2.049 7.986 1.00 29.00 O HETATM 982 O HOH 58 -6.770 -3.382 6.273 1.00 26.43 O HETATM 983 O HOH 59 13.354 8.425 20.645 1.00 20.43 O HETATM 984 O HOH 60 7.687 13.850 14.922 1.00 32.76 O HETATM 985 O HOH 61 -0.311 2.767 2.072 1.00 28.18 O HETATM 986 O HOH 62 19.117 -6.070 7.650 1.00 33.11 O HETATM 987 O HOH 63 13.559 13.366 11.154 1.00 27.42 O HETATM 988 O HOH 64 -1.197 -1.611 -6.067 1.00 29.06 O HETATM 989 O HOH 65 19.725 -1.630 9.411 1.00 30.17 O HETATM 990 O HOH 66 16.671 -5.818 23.738 1.00 33.13 O HETATM 991 O HOH 67 7.270 10.005 1.953 1.00 39.37 O HETATM 992 O HOH 68 -2.655 -3.830 -4.851 1.00 22.41 O HETATM 993 O HOH 69 7.573 4.449 22.341 1.00 33.53 O HETATM 994 O HOH 70 20.218 2.175 13.105 1.00 33.75 O HETATM 995 O HOH 71 3.351 14.690 16.812 1.00 21.51 O HETATM 996 O HOH 72 8.192 9.598 -0.255 1.00 35.07 O HETATM 997 O1 EY A 7 2.976 4.135 9.342 1.00 -0.57 O HETATM 998 C5 EY A 7 3.519 3.492 8.296 1.00 0.04 C HETATM 999 O2 EY A 7 4.371 3.935 7.585 1.00 -0.57 O HETATM 1000 C4 EY A 7 2.986 2.109 8.064 1.00 0.01 C HETATM 1001 C3 EY A 7 1.504 1.925 8.314 1.00 0.02 C HETATM 1002 C2 EY A 7 0.588 2.802 7.500 1.00 0.10 C HETATM 1003 N EY A 7 1.111 3.608 6.602 1.00 -0.28 N HETATM 1004 C6 EY A 7 0.262 4.401 5.877 1.00 0.06 C HETATM 1005 C7 EY A 7 0.793 5.285 4.911 1.00 -0.04 C HETATM 1006 C8 EY A 7 -0.042 6.078 4.171 1.00 -0.06 C HETATM 1007 C9 EY A 7 -1.421 6.040 4.370 1.00 -0.06 C HETATM 1008 C10 EY A 7 -1.974 5.199 5.300 1.00 -0.04 C HETATM 1009 C11 EY A 7 -1.143 4.354 6.077 1.00 0.05 C HETATM 1010 N1 EY A 7 -1.706 3.502 6.996 1.00 -0.26 N HETATM 1011 C1 EY A 7 -0.879 2.755 7.668 1.00 0.20 C HETATM 1012 O EY A 7 -1.254 1.828 8.580 1.00 -0.29 O HETATM 1013 C EY A 7 -2.629 1.826 9.000 1.00 0.07 C HETATM 1014 H9 EY A 7 -2.786 1.025 9.737 1.00 0.06 H HETATM 1015 H10 EY A 7 -3.278 1.655 8.129 1.00 0.06 H HETATM 1016 H11 EY A 7 -2.875 2.797 9.455 1.00 0.06 H HETATM 1017 H8 EY A 7 -3.049 5.180 5.441 1.00 0.06 H HETATM 1018 H5 EY A 7 -2.064 6.684 3.781 1.00 0.06 H HETATM 1019 H4 EY A 7 0.374 6.743 3.422 1.00 0.06 H HETATM 1020 H3 EY A 7 1.865 5.335 4.755 1.00 0.06 H HETATM 1021 H1 EY A 7 1.313 2.132 9.377 1.00 0.05 H HETATM 1022 H2 EY A 7 1.252 0.877 8.094 1.00 0.05 H HETATM 1023 H6 EY A 7 3.188 1.841 7.016 1.00 0.05 H HETATM 1024 H7 EY A 7 3.529 1.422 8.730 1.00 0.05 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 55 54 927 CONECT 70 69 72 927 CONECT 212 211 926 CONECT 233 232 926 CONECT 320 319 925 CONECT 344 343 925 CONECT 399 398 926 CONECT 468 467 470 926 CONECT 512 510 511 925 CONECT 560 559 562 925 CONECT 682 681 927 CONECT 717 716 927 CONECT 925 320 344 512 560 CONECT 926 212 233 399 468 CONECT 927 55 70 682 717 CONECT 997 998 CONECT 998 997 999 1000 CONECT 999 998 CONECT 1000 998 1001 1023 1024 CONECT 1001 1000 1002 1021 1022 CONECT 1002 1001 1003 1011 CONECT 1003 1002 1004 CONECT 1004 1003 1005 1009 CONECT 1005 1004 1006 1020 CONECT 1006 1005 1007 1019 CONECT 1007 1006 1008 1018 CONECT 1008 1007 1009 1017 CONECT 1009 1004 1008 1010 CONECT 1010 1009 1011 CONECT 1011 1002 1010 1012 CONECT 1012 1011 1013 CONECT 1013 1012 1014 1015 1016 CONECT 1014 1013 CONECT 1015 1013 CONECT 1016 1013 CONECT 1017 1008 CONECT 1018 1007 CONECT 1019 1006 CONECT 1020 1005 CONECT 1021 1001 CONECT 1022 1001 CONECT 1023 1000 CONECT 1024 1000 MASTER 0 0 0 0 0 0 0 0 1023 1 47 8 END
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Structure:
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Related entries of code: 6cec
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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PDBbind
107aa, >5KH3_1|Chain... *
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PDBbind
107aa, >5KH7_1|Chain... at 100%
6ce6
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PDBbind
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6ce8
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PDBbind
107aa, >6CE8_1|Chain... at 100%
6cea
RCSB PDB
PDBbind
107aa, >6CEA_1|Chain... at 100%
6ced
RCSB PDB
PDBbind
107aa, >6CED_1|Chain... at 100%
6cee
RCSB PDB
PDBbind
107aa, >6CEE_1|Chain... at 100%
6cef
RCSB PDB
PDBbind
107aa, >6CEF_1|Chain... at 100%
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RCSB PDB
PDBbind
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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
6cec
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Histone deacetylase 6
Ligand Name
EY7
EC.Number
E.C.3.5.1.98
Resolution
1.55(Å)
Affinity (Kd/Ki/IC50)
IC50=45uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) J. Med. Chem. Vol. 61: pp. 4517-4527
Ligand Properties
Formula
C
1
2
H
1
2
N
2
O
3
Molecular Weight
232.235
Exact Mass
232.085
No. of atoms
29
No. of bonds
30
Polar Surface Area
72.31
LOGP Value
2.75 (
Computed with XLOGP3
)
1.66 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 2
Canonical SMILES
COc1nc2ccccc2nc1CCC(=O)O
InChI String
InChI=1S/C12H12N2O3/c1-17-12-10(6-7-11(15)16)13-8-4-2-3-5-9(8)14-12/h2-5H,6-7H2,1H3,(H,15,16)
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):
Q9UBN7
Entrez Gene ID
NCBI Entrez Gene ID:
10013
ASD
Information of known allosteric effects of PDB entries
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