Browse entries in the PDBbind-CN Database
HEADER 5KH3_COMPLEX COMPND 5KH3_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 101 SER PRO LEU PRO TRP CYS PRO HIS LEU VAL ALA VAL CYS SEQRES 2 A 101 PRO ILE PRO ALA ALA GLY LEU ASP VAL THR GLN PRO CYS SEQRES 3 A 101 GLY ASP CYS GLY THR ILE GLN GLU ASN TRP VAL CYS LEU SEQRES 4 A 101 SER CYS TYR GLN VAL TYR CYS GLY ARG TYR ILE ASN GLY SEQRES 5 A 101 HIS MET LEU GLN HIS HIS GLY ASN SER GLY HIS PRO LEU SEQRES 6 A 101 VAL LEU SER TYR ILE ASP LEU SER ALA TRP CYS TYR TYR SEQRES 7 A 101 CYS GLN ALA TYR VAL HIS HIS GLN ALA LEU LEU ASP VAL SEQRES 8 A 101 LYS ASN ILE ALA HIS GLN ASN LYS PHE GLY HET ZN A 1 1 HET ZN A 2 1 HET ZN A 3 1 HET UNN A 187 22 ATOM 1 CA SER A1108 -9.974 -8.421 9.734 1.00 23.98 C ATOM 2 C SER A1108 -8.974 -7.990 8.619 1.00 22.08 C ATOM 3 O SER A1108 -9.327 -7.183 7.760 1.00 22.25 O ATOM 4 N PRO A1109 -7.723 -8.530 8.638 1.00 19.32 N ATOM 5 CA PRO A1109 -6.808 -8.153 7.555 1.00 18.01 C ATOM 6 C PRO A1109 -7.163 -8.921 6.283 1.00 16.25 C ATOM 7 O PRO A1109 -8.006 -9.841 6.324 1.00 15.64 O ATOM 8 CB PRO A1109 -5.431 -8.568 8.095 1.00 17.70 C ATOM 9 CG PRO A1109 -5.726 -9.680 9.036 1.00 19.86 C ATOM 10 CD PRO A1109 -7.078 -9.415 9.621 1.00 18.96 C ATOM 11 N LEU A1110 -6.554 -8.538 5.168 1.00 14.51 N ATOM 12 CA LEU A1110 -6.652 -9.314 3.928 1.00 14.86 C ATOM 13 C LEU A1110 -5.985 -10.636 4.175 1.00 14.74 C ATOM 14 O LEU A1110 -4.861 -10.684 4.653 1.00 13.10 O ATOM 15 CB LEU A1110 -5.914 -8.644 2.759 1.00 14.88 C ATOM 16 CG LEU A1110 -6.457 -7.370 2.134 1.00 15.69 C ATOM 17 CD1 LEU A1110 -5.496 -6.694 1.179 1.00 16.43 C ATOM 18 CD2 LEU A1110 -7.755 -7.641 1.404 1.00 16.48 C ATOM 19 H LEU A1110 -5.992 -7.663 5.174 1.00 0.00 H ATOM 20 N PRO A1111 -6.615 -11.735 3.728 1.00 14.76 N ATOM 21 CA PRO A1111 -5.966 -13.017 3.937 1.00 15.58 C ATOM 22 C PRO A1111 -4.851 -13.363 2.952 1.00 14.78 C ATOM 23 O PRO A1111 -4.190 -14.402 3.081 1.00 18.76 O ATOM 24 CB PRO A1111 -7.134 -14.007 3.748 1.00 17.03 C ATOM 25 CG PRO A1111 -7.962 -13.349 2.706 1.00 15.06 C ATOM 26 CD PRO A1111 -7.917 -11.865 3.032 1.00 15.38 C ATOM 27 N TRP A1112 -4.584 -12.482 1.998 1.00 13.45 N ATOM 28 CA TRP A1112 -3.550 -12.650 1.019 1.00 12.64 C ATOM 29 C TRP A1112 -3.339 -11.295 0.365 1.00 12.64 C ATOM 30 O TRP A1112 -4.263 -10.480 0.282 1.00 14.34 O ATOM 31 CB TRP A1112 -4.011 -13.635 -0.077 1.00 13.04 C ATOM 32 CG TRP A1112 -2.991 -14.015 -1.069 1.00 13.17 C ATOM 33 CD1 TRP A1112 -2.037 -14.987 -0.955 1.00 13.04 C ATOM 34 CD2 TRP A1112 -2.807 -13.449 -2.371 1.00 12.58 C ATOM 35 NE1 TRP A1112 -1.234 -15.000 -2.061 1.00 14.05 N ATOM 36 CE2 TRP A1112 -1.726 -14.111 -2.974 1.00 13.16 C ATOM 37 CE3 TRP A1112 -3.482 -12.465 -3.105 1.00 13.03 C ATOM 38 CZ2 TRP A1112 -1.309 -13.828 -4.267 1.00 13.28 C ATOM 39 CZ3 TRP A1112 -3.057 -12.176 -4.373 1.00 13.40 C ATOM 40 CH2 TRP A1112 -1.985 -12.881 -4.964 1.00 12.92 C ATOM 41 HE1 TRP A1112 -0.387 -15.590 -2.187 1.00 0.00 H ATOM 42 H TRP A1112 -5.159 -11.617 1.957 1.00 0.00 H ATOM 43 N CYS A1113 -2.181 -11.079 -0.218 1.00 11.47 N ATOM 44 CA CYS A1113 -2.010 -10.000 -1.190 1.00 11.42 C ATOM 45 C CYS A1113 -0.921 -10.373 -2.183 1.00 11.12 C ATOM 46 O CYS A1113 -0.078 -11.235 -1.905 1.00 10.14 O ATOM 47 CB CYS A1113 -1.786 -8.617 -0.522 1.00 11.88 C ATOM 48 SG CYS A1113 -0.037 -8.063 -0.382 1.00 11.37 S ATOM 49 H CYS A1113 -1.371 -11.687 0.017 1.00 0.00 H ATOM 50 N PRO A1114 -0.949 -9.717 -3.348 1.00 11.82 N ATOM 51 CA PRO A1114 -0.013 -10.084 -4.411 1.00 12.44 C ATOM 52 C PRO A1114 1.436 -9.664 -4.200 1.00 13.10 C ATOM 53 O PRO A1114 2.319 -9.972 -5.016 1.00 13.25 O ATOM 54 CB PRO A1114 -0.625 -9.468 -5.648 1.00 13.42 C ATOM 55 CG PRO A1114 -1.502 -8.351 -5.142 1.00 13.33 C ATOM 56 CD PRO A1114 -1.945 -8.735 -3.785 1.00 12.57 C ATOM 57 N HIS A1115 1.708 -9.037 -3.047 1.00 11.80 N ATOM 58 CA HIS A1115 3.079 -8.676 -2.687 1.00 12.06 C ATOM 59 C HIS A1115 3.752 -9.566 -1.680 1.00 12.10 C ATOM 60 O HIS A1115 4.939 -9.355 -1.377 1.00 12.65 O ATOM 61 CB HIS A1115 3.099 -7.212 -2.238 1.00 11.01 C ATOM 62 CG HIS A1115 2.410 -6.320 -3.226 1.00 10.47 C ATOM 63 ND1 HIS A1115 1.084 -5.923 -3.141 1.00 11.20 N ATOM 64 CD2 HIS A1115 2.867 -5.809 -4.406 1.00 11.02 C ATOM 65 CE1 HIS A1115 0.753 -5.244 -4.228 1.00 11.87 C ATOM 66 NE2 HIS A1115 1.830 -5.141 -4.999 1.00 11.32 N ATOM 67 H HIS A1115 0.931 -8.803 -2.397 1.00 0.00 H ATOM 68 N LEU A1116 3.060 -10.568 -1.172 1.00 11.57 N ATOM 69 CA LEU A1116 3.657 -11.533 -0.237 1.00 13.12 C ATOM 70 C LEU A1116 4.865 -12.250 -0.833 1.00 13.73 C ATOM 71 O LEU A1116 5.783 -12.632 -0.064 1.00 13.57 O ATOM 72 CB LEU A1116 2.636 -12.582 0.248 1.00 13.12 C ATOM 73 CG LEU A1116 1.524 -12.076 1.148 1.00 12.92 C ATOM 74 CD1 LEU A1116 0.408 -13.153 1.295 1.00 13.24 C ATOM 75 CD2 LEU A1116 2.086 -11.677 2.527 1.00 12.77 C ATOM 76 H LEU A1116 2.062 -10.679 -1.441 1.00 0.00 H ATOM 77 N VAL A1117 4.896 -12.371 -2.167 1.00 14.78 N ATOM 78 CA VAL A1117 6.082 -12.934 -2.863 1.00 17.80 C ATOM 79 C VAL A1117 7.353 -12.172 -2.569 1.00 18.32 C ATOM 80 O VAL A1117 8.410 -12.709 -2.735 1.00 18.94 O ATOM 81 CB VAL A1117 5.903 -13.031 -4.385 1.00 18.12 C ATOM 82 CG1 VAL A1117 4.895 -14.119 -4.714 1.00 18.95 C ATOM 83 CG2 VAL A1117 5.467 -11.694 -4.983 1.00 19.26 C ATOM 84 H VAL A1117 4.074 -12.065 -2.726 1.00 0.00 H ATOM 85 N ALA A1118 7.258 -10.894 -2.163 1.00 16.97 N ATOM 86 CA ALA A1118 8.418 -10.059 -1.894 1.00 16.91 C ATOM 87 C ALA A1118 8.905 -10.140 -0.447 1.00 14.47 C ATOM 88 O ALA A1118 9.909 -9.507 -0.110 1.00 16.89 O ATOM 89 CB ALA A1118 8.106 -8.610 -2.293 1.00 17.05 C ATOM 90 H ALA A1118 6.311 -10.483 -2.035 1.00 0.00 H ATOM 91 N VAL A1119 8.216 -10.888 0.410 1.00 13.97 N ATOM 92 CA VAL A1119 8.662 -11.137 1.802 1.00 13.36 C ATOM 93 C VAL A1119 9.884 -12.045 1.779 1.00 14.87 C ATOM 94 O VAL A1119 9.848 -13.169 1.188 1.00 16.08 O ATOM 95 CB VAL A1119 7.529 -11.726 2.662 1.00 14.89 C ATOM 96 CG1 VAL A1119 8.009 -12.164 4.048 1.00 15.43 C ATOM 97 CG2 VAL A1119 6.416 -10.646 2.748 1.00 14.33 C ATOM 98 H VAL A1119 7.325 -11.317 0.090 1.00 0.00 H ATOM 99 N CYS A1120 10.966 -11.574 2.404 1.00 13.21 N ATOM 100 CA CYS A1120 12.231 -12.283 2.318 1.00 14.00 C ATOM 101 C CYS A1120 12.571 -13.034 3.614 1.00 14.41 C ATOM 102 O CYS A1120 11.980 -12.859 4.677 1.00 14.35 O ATOM 103 CB CYS A1120 13.332 -11.298 1.869 1.00 13.51 C ATOM 104 SG CYS A1120 13.093 -10.640 0.235 1.00 15.55 S ATOM 105 H CYS A1120 10.903 -10.695 2.955 1.00 0.00 H ATOM 106 N PRO A1121 13.528 -13.969 3.521 1.00 14.35 N ATOM 107 CA PRO A1121 13.888 -14.684 4.701 1.00 15.18 C ATOM 108 C PRO A1121 14.375 -13.812 5.844 1.00 15.60 C ATOM 109 O PRO A1121 15.124 -12.828 5.653 1.00 17.04 O ATOM 110 CB PRO A1121 15.003 -15.640 4.192 1.00 14.86 C ATOM 111 CG PRO A1121 14.685 -15.812 2.805 1.00 14.09 C ATOM 112 CD PRO A1121 14.184 -14.531 2.319 1.00 15.08 C ATOM 113 N ILE A1122 13.998 -14.251 7.035 1.00 16.82 N ATOM 114 CA ILE A1122 14.342 -13.545 8.237 1.00 18.23 C ATOM 115 C ILE A1122 15.842 -13.687 8.478 1.00 19.23 C ATOM 116 O ILE A1122 16.371 -14.819 8.417 1.00 19.87 O ATOM 117 CB ILE A1122 13.653 -14.101 9.482 1.00 20.76 C ATOM 118 CG1 ILE A1122 12.129 -14.123 9.330 1.00 22.55 C ATOM 119 CG2 ILE A1122 13.993 -13.197 10.643 1.00 23.28 C ATOM 120 CD1 ILE A1122 11.420 -15.145 10.206 1.00 24.18 C ATOM 121 H ILE A1122 13.440 -15.126 7.101 1.00 0.00 H ATOM 122 N PRO A1123 16.532 -12.576 8.714 1.00 16.69 N ATOM 123 CA PRO A1123 17.933 -12.718 9.049 1.00 17.39 C ATOM 124 C PRO A1123 18.197 -13.629 10.235 1.00 18.17 C ATOM 125 O PRO A1123 17.427 -13.652 11.221 1.00 16.38 O ATOM 126 CB PRO A1123 18.381 -11.293 9.378 1.00 18.07 C ATOM 127 CG PRO A1123 17.371 -10.414 8.680 1.00 18.20 C ATOM 128 CD PRO A1123 16.106 -11.162 8.772 1.00 17.71 C ATOM 129 N ALA A1124 19.294 -14.392 10.123 1.00 18.75 N ATOM 130 CA ALA A1124 19.675 -15.301 11.215 1.00 18.75 C ATOM 131 C ALA A1124 19.988 -14.512 12.517 1.00 18.84 C ATOM 132 O ALA A1124 19.864 -15.085 13.605 1.00 20.44 O ATOM 133 CB ALA A1124 20.875 -16.195 10.834 1.00 18.68 C ATOM 134 H ALA A1124 19.876 -14.341 9.263 1.00 0.00 H ATOM 135 N ALA A1125 20.311 -13.233 12.430 1.00 18.17 N ATOM 136 CA ALA A1125 20.415 -12.388 13.646 1.00 21.21 C ATOM 137 C ALA A1125 19.079 -12.155 14.362 1.00 23.38 C ATOM 138 O ALA A1125 19.043 -11.757 15.538 1.00 23.48 O ATOM 139 CB ALA A1125 21.054 -11.062 13.333 1.00 23.01 C ATOM 140 H ALA A1125 20.495 -12.813 11.497 1.00 0.00 H ATOM 141 N GLY A1126 17.980 -12.484 13.705 1.00 19.23 N ATOM 142 CA GLY A1126 16.668 -12.243 14.249 1.00 19.21 C ATOM 143 C GLY A1126 16.275 -10.751 14.194 1.00 17.67 C ATOM 144 O GLY A1126 16.856 -9.898 13.464 1.00 18.30 O ATOM 145 H GLY A1126 18.065 -12.929 12.769 1.00 0.00 H ATOM 146 N LEU A1127 15.234 -10.444 14.954 1.00 16.30 N ATOM 147 CA LEU A1127 14.677 -9.071 14.935 1.00 15.81 C ATOM 148 C LEU A1127 14.885 -8.452 16.290 1.00 14.81 C ATOM 149 O LEU A1127 14.851 -9.173 17.298 1.00 16.77 O ATOM 150 CB LEU A1127 13.172 -9.108 14.669 1.00 16.82 C ATOM 151 CG LEU A1127 12.806 -9.787 13.354 1.00 17.32 C ATOM 152 CD1 LEU A1127 11.316 -9.967 13.275 1.00 17.74 C ATOM 153 CD2 LEU A1127 13.369 -9.053 12.163 1.00 18.21 C ATOM 154 H LEU A1127 14.807 -11.169 15.566 1.00 0.00 H ATOM 155 N ASP A1128 15.049 -7.122 16.307 1.00 13.73 N ATOM 156 CA ASP A1128 15.157 -6.370 17.551 1.00 13.74 C ATOM 157 C ASP A1128 14.033 -5.364 17.529 1.00 12.61 C ATOM 158 O ASP A1128 14.135 -4.357 16.874 1.00 11.78 O ATOM 159 CB ASP A1128 16.494 -5.650 17.655 1.00 15.47 C ATOM 160 CG ASP A1128 16.614 -4.818 18.891 1.00 18.10 C ATOM 161 OD1 ASP A1128 15.691 -4.781 19.723 1.00 16.32 O ATOM 162 OD2 ASP A1128 17.638 -4.103 18.961 1.00 24.39 O ATOM 163 H ASP A1128 15.101 -6.610 15.403 1.00 0.00 H ATOM 164 N VAL A1129 12.981 -5.658 18.277 1.00 10.56 N ATOM 165 CA VAL A1129 11.814 -4.797 18.246 1.00 11.53 C ATOM 166 C VAL A1129 12.027 -3.417 18.892 1.00 11.13 C ATOM 167 O VAL A1129 11.204 -2.495 18.701 1.00 10.36 O ATOM 168 CB VAL A1129 10.544 -5.451 18.870 1.00 12.70 C ATOM 169 CG1 VAL A1129 10.263 -6.752 18.155 1.00 14.74 C ATOM 170 CG2 VAL A1129 10.671 -5.569 20.379 1.00 13.66 C ATOM 171 H VAL A1129 12.991 -6.502 18.884 1.00 0.00 H ATOM 172 N THR A1130 13.192 -3.251 19.581 1.00 11.06 N ATOM 173 CA THR A1130 13.554 -1.959 20.141 1.00 12.59 C ATOM 174 C THR A1130 14.511 -1.173 19.260 1.00 12.53 C ATOM 175 O THR A1130 14.983 -0.058 19.629 1.00 14.74 O ATOM 176 CB THR A1130 14.139 -2.078 21.553 1.00 12.72 C ATOM 177 OG1 THR A1130 15.413 -2.697 21.517 1.00 12.17 O ATOM 178 CG2 THR A1130 13.214 -2.826 22.416 1.00 13.82 C ATOM 179 HG1 THR A1130 15.327 -3.603 21.128 1.00 0.00 H ATOM 180 H THR A1130 13.832 -4.061 19.708 1.00 0.00 H ATOM 181 N GLN A1131 14.783 -1.683 18.062 1.00 12.01 N ATOM 182 CA GLN A1131 15.697 -1.019 17.132 1.00 12.53 C ATOM 183 C GLN A1131 15.177 0.367 16.736 1.00 14.13 C ATOM 184 O GLN A1131 14.010 0.527 16.381 1.00 12.78 O ATOM 185 CB GLN A1131 15.885 -1.892 15.888 1.00 13.00 C ATOM 186 CG GLN A1131 16.912 -1.394 14.904 1.00 12.69 C ATOM 187 CD GLN A1131 17.312 -2.403 13.855 1.00 12.86 C ATOM 188 OE1 GLN A1131 17.210 -3.625 14.064 1.00 15.31 O ATOM 189 NE2 GLN A1131 17.756 -1.908 12.732 1.00 13.63 N ATOM 190 HE22 GLN A1131 17.822 -0.878 12.608 1.00 0.00 H ATOM 191 HE21 GLN A1131 18.044 -2.544 11.961 1.00 0.00 H ATOM 192 H GLN A1131 14.334 -2.577 17.779 1.00 0.00 H ATOM 193 N PRO A1132 16.023 1.373 16.753 1.00 12.35 N ATOM 194 CA PRO A1132 15.518 2.712 16.400 1.00 12.47 C ATOM 195 C PRO A1132 15.398 2.899 14.885 1.00 11.21 C ATOM 196 O PRO A1132 15.960 2.107 14.090 1.00 10.73 O ATOM 197 CB PRO A1132 16.560 3.625 17.011 1.00 14.36 C ATOM 198 CG PRO A1132 17.792 2.861 16.923 1.00 14.45 C ATOM 199 CD PRO A1132 17.407 1.428 17.248 1.00 13.18 C ATOM 200 N CYS A1133 14.748 3.994 14.498 1.00 10.52 N ATOM 201 CA CYS A1133 14.612 4.323 13.088 1.00 10.64 C ATOM 202 C CYS A1133 15.989 4.512 12.507 1.00 11.76 C ATOM 203 O CYS A1133 16.770 5.299 13.017 1.00 13.70 O ATOM 204 CB CYS A1133 13.856 5.596 12.879 1.00 10.92 C ATOM 205 SG CYS A1133 13.666 6.189 11.193 1.00 10.67 S ATOM 206 H CYS A1133 14.332 4.623 15.214 1.00 0.00 H ATOM 207 N GLY A1134 16.219 3.917 11.368 1.00 11.11 N ATOM 208 CA GLY A1134 17.500 4.085 10.669 1.00 12.17 C ATOM 209 C GLY A1134 17.829 5.453 10.152 1.00 14.65 C ATOM 210 O GLY A1134 19.015 5.715 9.829 1.00 17.30 O ATOM 211 H GLY A1134 15.483 3.314 10.948 1.00 0.00 H ATOM 212 N ASP A1135 16.835 6.294 9.983 1.00 14.17 N ATOM 213 CA ASP A1135 17.039 7.679 9.540 1.00 15.31 C ATOM 214 C ASP A1135 17.171 8.592 10.764 1.00 14.64 C ATOM 215 O ASP A1135 18.264 9.125 11.059 1.00 13.90 O ATOM 216 CB ASP A1135 15.912 8.115 8.607 1.00 16.29 C ATOM 217 CG ASP A1135 16.009 7.485 7.224 1.00 19.10 C ATOM 218 OD1 ASP A1135 17.133 7.047 6.804 1.00 21.13 O ATOM 219 OD2 ASP A1135 14.935 7.460 6.548 1.00 20.92 O ATOM 220 H ASP A1135 15.866 5.967 10.170 1.00 0.00 H ATOM 221 N CYS A1136 16.101 8.741 11.544 1.00 13.99 N ATOM 222 CA CYS A1136 16.080 9.787 12.579 1.00 13.13 C ATOM 223 C CYS A1136 16.410 9.292 13.953 1.00 13.14 C ATOM 224 O CYS A1136 16.473 10.088 14.897 1.00 13.70 O ATOM 225 CB CYS A1136 14.726 10.473 12.613 1.00 13.15 C ATOM 226 SG CYS A1136 13.335 9.444 13.139 1.00 11.94 S ATOM 227 H CYS A1136 15.279 8.116 11.421 1.00 0.00 H ATOM 228 N GLY A1137 16.564 7.986 14.147 1.00 13.02 N ATOM 229 CA GLY A1137 16.900 7.433 15.472 1.00 12.80 C ATOM 230 C GLY A1137 15.805 7.396 16.504 1.00 12.25 C ATOM 231 O GLY A1137 16.042 7.006 17.625 1.00 13.25 O ATOM 232 H GLY A1137 16.444 7.337 13.343 1.00 0.00 H ATOM 233 N THR A1138 14.568 7.735 16.132 1.00 11.47 N ATOM 234 CA THR A1138 13.477 7.668 17.097 1.00 12.02 C ATOM 235 C THR A1138 13.228 6.244 17.549 1.00 12.23 C ATOM 236 O THR A1138 13.390 5.284 16.773 1.00 11.16 O ATOM 237 CB THR A1138 12.154 8.271 16.605 1.00 12.53 C ATOM 238 OG1 THR A1138 11.195 8.253 17.654 1.00 14.58 O ATOM 239 CG2 THR A1138 11.556 7.481 15.454 1.00 12.14 C ATOM 240 HG1 THR A1138 10.345 8.643 17.329 1.00 0.00 H ATOM 241 H THR A1138 14.383 8.046 15.157 1.00 0.00 H ATOM 242 N ILE A1139 12.851 6.089 18.800 1.00 12.30 N ATOM 243 CA ILE A1139 12.457 4.810 19.338 1.00 15.20 C ATOM 244 C ILE A1139 10.967 4.579 19.254 1.00 15.84 C ATOM 245 O ILE A1139 10.553 3.469 19.597 1.00 17.78 O ATOM 246 CB ILE A1139 12.979 4.590 20.756 1.00 18.62 C ATOM 247 CG1 ILE A1139 12.326 5.541 21.754 1.00 22.15 C ATOM 248 CG2 ILE A1139 14.515 4.741 20.756 1.00 20.98 C ATOM 249 CD1 ILE A1139 12.833 5.345 23.186 1.00 24.64 C ATOM 250 H ILE A1139 12.837 6.920 19.425 1.00 0.00 H ATOM 251 N GLN A1140 10.206 5.530 18.713 1.00 15.32 N ATOM 252 CA GLN A1140 8.757 5.439 18.688 1.00 16.31 C ATOM 253 C GLN A1140 8.196 4.981 17.327 1.00 13.85 C ATOM 254 O GLN A1140 8.653 5.423 16.278 1.00 14.97 O ATOM 255 CB GLN A1140 8.165 6.810 18.957 1.00 17.97 C ATOM 256 CG GLN A1140 8.584 7.412 20.274 1.00 21.30 C ATOM 257 CD GLN A1140 7.875 8.731 20.518 1.00 22.21 C ATOM 258 OE1 GLN A1140 6.689 8.809 20.417 1.00 26.73 O ATOM 259 NE2 GLN A1140 8.627 9.750 20.801 1.00 25.61 N ATOM 260 HE22 GLN A1140 9.657 9.631 20.878 1.00 0.00 H ATOM 261 HE21 GLN A1140 8.199 10.686 20.951 1.00 0.00 H ATOM 262 H GLN A1140 10.665 6.364 18.295 1.00 0.00 H ATOM 263 N GLU A1141 7.117 4.218 17.370 1.00 12.38 N ATOM 264 CA GLU A1141 6.367 3.798 16.178 1.00 11.41 C ATOM 265 C GLU A1141 7.291 3.335 15.067 1.00 10.49 C ATOM 266 O GLU A1141 7.190 3.884 13.986 1.00 10.91 O ATOM 267 CB GLU A1141 5.462 4.933 15.583 1.00 11.47 C ATOM 268 CG GLU A1141 4.061 4.460 15.120 1.00 11.47 C ATOM 269 CD GLU A1141 3.456 5.026 13.788 1.00 12.31 C ATOM 270 OE1 GLU A1141 3.595 6.246 13.408 1.00 9.54 O ATOM 271 OE2 GLU A1141 2.830 4.151 13.088 1.00 13.23 O ATOM 272 H GLU A1141 6.780 3.897 18.300 1.00 0.00 H ATOM 273 N ASN A1142 8.211 2.399 15.327 1.00 9.97 N ATOM 274 CA ASN A1142 8.974 1.820 14.227 1.00 9.78 C ATOM 275 C ASN A1142 8.340 0.592 13.616 1.00 9.18 C ATOM 276 O ASN A1142 7.558 -0.131 14.265 1.00 9.58 O ATOM 277 CB ASN A1142 10.402 1.534 14.714 1.00 10.15 C ATOM 278 CG ASN A1142 11.161 2.811 14.949 1.00 11.15 C ATOM 279 OD1 ASN A1142 11.215 3.657 14.068 1.00 12.54 O ATOM 280 ND2 ASN A1142 11.735 2.968 16.154 1.00 11.46 N ATOM 281 HD22 ASN A1142 11.659 2.216 16.868 1.00 0.00 H ATOM 282 HD21 ASN A1142 12.256 3.842 16.372 1.00 0.00 H ATOM 283 H ASN A1142 8.381 2.087 16.305 1.00 0.00 H ATOM 284 N TRP A1143 8.695 0.380 12.364 1.00 9.64 N ATOM 285 CA TRP A1143 8.296 -0.737 11.532 1.00 8.90 C ATOM 286 C TRP A1143 9.574 -1.376 10.977 1.00 8.40 C ATOM 287 O TRP A1143 10.551 -0.691 10.836 1.00 8.73 O ATOM 288 CB TRP A1143 7.453 -0.240 10.385 1.00 9.66 C ATOM 289 CG TRP A1143 6.125 0.343 10.832 1.00 10.07 C ATOM 290 CD1 TRP A1143 5.921 1.520 11.510 1.00 10.27 C ATOM 291 CD2 TRP A1143 4.820 -0.247 10.663 1.00 10.34 C ATOM 292 NE1 TRP A1143 4.586 1.709 11.742 1.00 11.60 N ATOM 293 CE2 TRP A1143 3.886 0.625 11.267 1.00 11.47 C ATOM 294 CE3 TRP A1143 4.352 -1.446 10.094 1.00 9.84 C ATOM 295 CZ2 TRP A1143 2.510 0.361 11.239 1.00 11.74 C ATOM 296 CZ3 TRP A1143 3.016 -1.713 10.081 1.00 10.35 C ATOM 297 CH2 TRP A1143 2.103 -0.847 10.667 1.00 10.89 C ATOM 298 HE1 TRP A1143 4.167 2.541 12.204 1.00 0.00 H ATOM 299 H TRP A1143 9.324 1.085 11.930 1.00 0.00 H ATOM 300 N VAL A1144 9.494 -2.662 10.642 1.00 8.19 N ATOM 301 CA VAL A1144 10.590 -3.371 9.977 1.00 8.71 C ATOM 302 C VAL A1144 10.121 -3.762 8.561 1.00 8.23 C ATOM 303 O VAL A1144 9.002 -4.244 8.347 1.00 8.26 O ATOM 304 CB VAL A1144 11.120 -4.603 10.779 1.00 8.61 C ATOM 305 CG1 VAL A1144 10.020 -5.647 11.012 1.00 8.34 C ATOM 306 CG2 VAL A1144 12.366 -5.168 10.095 1.00 9.54 C ATOM 307 H VAL A1144 8.621 -3.183 10.861 1.00 0.00 H ATOM 308 N CYS A1145 10.970 -3.521 7.565 1.00 8.59 N ATOM 309 CA CYS A1145 10.655 -3.898 6.201 1.00 9.45 C ATOM 310 C CYS A1145 10.832 -5.418 6.009 1.00 9.44 C ATOM 311 O CYS A1145 11.870 -5.980 6.317 1.00 9.25 O ATOM 312 CB CYS A1145 11.547 -3.147 5.258 1.00 9.61 C ATOM 313 SG CYS A1145 11.221 -3.564 3.538 1.00 10.32 S ATOM 314 H CYS A1145 11.876 -3.054 7.769 1.00 0.00 H ATOM 315 N LEU A1146 9.846 -6.066 5.451 1.00 9.43 N ATOM 316 CA LEU A1146 9.852 -7.494 5.344 1.00 9.66 C ATOM 317 C LEU A1146 10.546 -7.925 4.062 1.00 11.13 C ATOM 318 O LEU A1146 10.617 -9.133 3.825 1.00 11.16 O ATOM 319 CB LEU A1146 8.437 -8.048 5.424 1.00 10.82 C ATOM 320 CG LEU A1146 7.712 -7.844 6.778 1.00 10.28 C ATOM 321 CD1 LEU A1146 6.379 -8.539 6.762 1.00 11.39 C ATOM 322 CD2 LEU A1146 8.566 -8.371 7.897 1.00 11.25 C ATOM 323 H LEU A1146 9.036 -5.532 5.075 1.00 0.00 H ATOM 324 N SER A1147 11.106 -6.984 3.310 1.00 9.76 N ATOM 325 CA SER A1147 11.997 -7.365 2.190 1.00 10.69 C ATOM 326 C SER A1147 13.462 -7.278 2.629 1.00 12.20 C ATOM 327 O SER A1147 14.204 -8.234 2.447 1.00 15.52 O ATOM 328 CB SER A1147 11.691 -6.577 0.948 1.00 9.95 C ATOM 329 OG SER A1147 10.389 -6.827 0.455 1.00 10.12 O ATOM 330 HG SER A1147 10.237 -6.287 -0.360 1.00 0.00 H ATOM 331 H SER A1147 10.919 -5.980 3.508 1.00 0.00 H ATOM 332 N CYS A1148 13.892 -6.148 3.193 1.00 11.29 N ATOM 333 CA CYS A1148 15.321 -5.927 3.481 1.00 11.93 C ATOM 334 C CYS A1148 15.635 -5.785 4.971 1.00 11.45 C ATOM 335 O CYS A1148 16.794 -5.590 5.359 1.00 12.21 O ATOM 336 CB CYS A1148 15.805 -4.732 2.704 1.00 12.80 C ATOM 337 SG CYS A1148 15.200 -3.106 3.342 1.00 15.23 S ATOM 338 H CYS A1148 13.204 -5.407 3.435 1.00 0.00 H ATOM 339 N TYR A1149 14.597 -5.816 5.816 1.00 10.01 N ATOM 340 CA TYR A1149 14.753 -5.824 7.258 1.00 10.59 C ATOM 341 C TYR A1149 15.438 -4.579 7.868 1.00 10.41 C ATOM 342 O TYR A1149 15.892 -4.610 9.031 1.00 10.36 O ATOM 343 CB TYR A1149 15.338 -7.170 7.691 1.00 11.29 C ATOM 344 CG TYR A1149 14.358 -8.269 7.487 1.00 11.16 C ATOM 345 CD1 TYR A1149 13.418 -8.592 8.474 1.00 11.59 C ATOM 346 CD2 TYR A1149 14.286 -8.936 6.278 1.00 11.49 C ATOM 347 CE1 TYR A1149 12.445 -9.556 8.262 1.00 11.69 C ATOM 348 CE2 TYR A1149 13.359 -9.935 6.079 1.00 11.51 C ATOM 349 CZ TYR A1149 12.454 -10.256 7.040 1.00 11.61 C ATOM 350 OH TYR A1149 11.512 -11.212 6.784 1.00 13.26 O ATOM 351 HH TYR A1149 11.962 -12.069 6.575 1.00 0.00 H ATOM 352 H TYR A1149 13.635 -5.835 5.421 1.00 0.00 H ATOM 353 N GLN A1150 15.425 -3.479 7.118 1.00 9.67 N ATOM 354 CA GLN A1150 15.659 -2.155 7.674 1.00 10.35 C ATOM 355 C GLN A1150 14.486 -1.673 8.525 1.00 9.74 C ATOM 356 O GLN A1150 13.334 -2.060 8.267 1.00 10.10 O ATOM 357 CB GLN A1150 16.058 -1.174 6.641 1.00 10.78 C ATOM 358 CG GLN A1150 17.390 -1.547 5.989 1.00 12.83 C ATOM 359 CD GLN A1150 17.675 -0.762 4.732 1.00 16.68 C ATOM 360 OE1 GLN A1150 17.143 0.295 4.502 1.00 22.16 O ATOM 361 NE2 GLN A1150 18.562 -1.315 3.883 1.00 22.30 N ATOM 362 HE22 GLN A1150 19.002 -2.229 4.113 1.00 0.00 H ATOM 363 HE21 GLN A1150 18.807 -0.828 2.997 1.00 0.00 H ATOM 364 H GLN A1150 15.241 -3.569 6.098 1.00 0.00 H ATOM 365 N VAL A1151 14.774 -0.849 9.540 1.00 8.55 N ATOM 366 CA VAL A1151 13.808 -0.370 10.512 1.00 8.78 C ATOM 367 C VAL A1151 13.678 1.149 10.339 1.00 9.34 C ATOM 368 O VAL A1151 14.656 1.907 10.359 1.00 9.06 O ATOM 369 CB VAL A1151 14.209 -0.748 11.971 1.00 9.01 C ATOM 370 CG1 VAL A1151 13.248 -0.118 12.977 1.00 9.91 C ATOM 371 CG2 VAL A1151 14.312 -2.264 12.126 1.00 9.38 C ATOM 372 H VAL A1151 15.759 -0.530 9.639 1.00 0.00 H ATOM 373 N TYR A1152 12.443 1.598 10.190 1.00 8.53 N ATOM 374 CA TYR A1152 12.101 2.999 9.979 1.00 8.14 C ATOM 375 C TYR A1152 10.804 3.364 10.666 1.00 8.43 C ATOM 376 O TYR A1152 9.927 2.517 10.821 1.00 7.29 O ATOM 377 CB TYR A1152 12.009 3.408 8.504 1.00 8.91 C ATOM 378 CG TYR A1152 13.320 3.248 7.739 1.00 9.73 C ATOM 379 CD1 TYR A1152 14.398 4.056 8.026 1.00 10.51 C ATOM 380 CD2 TYR A1152 13.460 2.235 6.796 1.00 10.47 C ATOM 381 CE1 TYR A1152 15.593 3.883 7.345 1.00 11.38 C ATOM 382 CE2 TYR A1152 14.634 2.063 6.101 1.00 10.63 C ATOM 383 CZ TYR A1152 15.696 2.905 6.384 1.00 12.64 C ATOM 384 OH TYR A1152 16.930 2.686 5.725 1.00 14.76 O ATOM 385 HH TYR A1152 17.262 1.779 5.942 1.00 0.00 H ATOM 386 H TYR A1152 11.666 0.907 10.226 1.00 0.00 H ATOM 387 N CYS A1153 10.667 4.649 11.028 1.00 8.51 N ATOM 388 CA CYS A1153 9.517 5.111 11.784 1.00 9.73 C ATOM 389 C CYS A1153 8.214 5.304 10.968 1.00 9.44 C ATOM 390 O CYS A1153 8.195 5.487 9.743 1.00 9.26 O ATOM 391 CB CYS A1153 9.853 6.377 12.576 1.00 10.90 C ATOM 392 SG CYS A1153 10.124 7.846 11.540 1.00 10.96 S ATOM 393 H CYS A1153 11.404 5.332 10.760 1.00 0.00 H ATOM 394 N GLY A1154 7.128 5.269 11.734 1.00 9.30 N ATOM 395 CA GLY A1154 5.789 5.365 11.198 1.00 9.82 C ATOM 396 C GLY A1154 5.353 6.765 10.785 1.00 10.46 C ATOM 397 O GLY A1154 6.006 7.771 11.027 1.00 12.07 O ATOM 398 H GLY A1154 7.247 5.168 12.762 1.00 0.00 H ATOM 399 N ARG A1155 4.189 6.814 10.135 1.00 12.13 N ATOM 400 CA ARG A1155 3.611 8.010 9.576 1.00 13.39 C ATOM 401 C ARG A1155 3.346 9.108 10.588 1.00 12.96 C ATOM 402 O ARG A1155 3.428 10.302 10.206 1.00 15.54 O ATOM 403 CB ARG A1155 2.311 7.691 8.788 1.00 15.36 C ATOM 404 CG ARG A1155 1.125 7.223 9.578 1.00 17.63 C ATOM 405 CD ARG A1155 0.187 6.267 8.776 1.00 22.37 C ATOM 406 NE ARG A1155 -0.866 5.584 9.601 1.00 22.04 N ATOM 407 CZ ARG A1155 -0.638 4.621 10.504 1.00 26.69 C ATOM 408 NH1 ARG A1155 -1.652 4.089 11.189 1.00 27.53 N ATOM 409 NH2 ARG A1155 0.594 4.178 10.756 1.00 30.00 N ATOM 410 HE ARG A1155 -1.852 5.883 9.460 1.00 0.00 H ATOM 411 HH12 ARG A1155 -1.471 3.342 11.889 1.00 0.00 H ATOM 412 HH11 ARG A1155 -2.623 4.422 11.023 1.00 0.00 H ATOM 413 HH22 ARG A1155 0.743 3.429 11.462 1.00 0.00 H ATOM 414 HH21 ARG A1155 1.406 4.581 10.246 1.00 0.00 H ATOM 415 H ARG A1155 3.661 5.925 10.024 1.00 0.00 H ATOM 416 N TYR A1156 3.106 8.763 11.835 1.00 12.09 N ATOM 417 CA TYR A1156 2.808 9.787 12.863 1.00 14.89 C ATOM 418 C TYR A1156 4.064 10.323 13.539 1.00 15.90 C ATOM 419 O TYR A1156 3.972 11.319 14.287 1.00 16.95 O ATOM 420 CB TYR A1156 1.822 9.253 13.895 1.00 15.19 C ATOM 421 CG TYR A1156 0.477 8.895 13.281 1.00 14.90 C ATOM 422 CD1 TYR A1156 -0.214 9.827 12.471 1.00 14.91 C ATOM 423 CD2 TYR A1156 -0.042 7.665 13.427 1.00 15.08 C ATOM 424 CE1 TYR A1156 -1.418 9.509 11.881 1.00 16.35 C ATOM 425 CE2 TYR A1156 -1.245 7.328 12.842 1.00 16.42 C ATOM 426 CZ TYR A1156 -1.926 8.243 12.061 1.00 16.93 C ATOM 427 OH TYR A1156 -3.174 7.891 11.507 1.00 20.36 O ATOM 428 HH TYR A1156 -3.526 8.651 10.979 1.00 0.00 H ATOM 429 H TYR A1156 3.126 7.758 12.102 1.00 0.00 H ATOM 430 N ILE A1157 5.242 9.731 13.291 1.00 13.24 N ATOM 431 CA ILE A1157 6.525 10.249 13.746 1.00 12.78 C ATOM 432 C ILE A1157 7.113 11.089 12.610 1.00 13.50 C ATOM 433 O ILE A1157 6.593 12.188 12.338 1.00 14.32 O ATOM 434 CB ILE A1157 7.442 9.170 14.339 1.00 12.78 C ATOM 435 CG1 ILE A1157 6.670 8.254 15.291 1.00 14.21 C ATOM 436 CG2 ILE A1157 8.621 9.848 15.086 1.00 13.23 C ATOM 437 CD1 ILE A1157 6.056 8.974 16.489 1.00 14.75 C ATOM 438 H ILE A1157 5.239 8.849 12.740 1.00 0.00 H ATOM 439 N ASN A1158 8.082 10.590 11.868 1.00 12.74 N ATOM 440 CA ASN A1158 8.670 11.298 10.767 1.00 13.83 C ATOM 441 C ASN A1158 8.482 10.645 9.405 1.00 13.56 C ATOM 442 O ASN A1158 9.032 11.120 8.418 1.00 13.50 O ATOM 443 CB ASN A1158 10.152 11.481 11.073 1.00 14.97 C ATOM 444 CG ASN A1158 10.370 12.417 12.270 1.00 16.90 C ATOM 445 OD1 ASN A1158 9.729 13.454 12.351 1.00 17.70 O ATOM 446 ND2 ASN A1158 11.220 12.034 13.200 1.00 15.07 N ATOM 447 HD22 ASN A1158 11.745 11.143 13.090 1.00 0.00 H ATOM 448 HD21 ASN A1158 11.367 12.623 14.045 1.00 0.00 H ATOM 449 H ASN A1158 8.437 9.638 12.091 1.00 0.00 H ATOM 450 N GLY A1159 7.689 9.588 9.361 1.00 12.29 N ATOM 451 CA GLY A1159 7.315 8.992 8.065 1.00 12.18 C ATOM 452 C GLY A1159 8.436 8.339 7.269 1.00 10.92 C ATOM 453 O GLY A1159 8.374 8.219 6.031 1.00 11.77 O ATOM 454 H GLY A1159 7.327 9.175 10.244 1.00 0.00 H ATOM 455 N HIS A1160 9.454 7.849 7.951 1.00 10.83 N ATOM 456 CA HIS A1160 10.606 7.272 7.265 1.00 10.69 C ATOM 457 C HIS A1160 10.308 5.932 6.623 1.00 10.32 C ATOM 458 O HIS A1160 10.878 5.620 5.560 1.00 11.03 O ATOM 459 CB HIS A1160 11.843 7.299 8.125 1.00 11.22 C ATOM 460 CG HIS A1160 12.332 8.692 8.351 1.00 11.80 C ATOM 461 ND1 HIS A1160 12.599 9.225 9.598 1.00 13.00 N ATOM 462 CD2 HIS A1160 12.561 9.692 7.459 1.00 13.03 C ATOM 463 CE1 HIS A1160 12.959 10.493 9.460 1.00 13.44 C ATOM 464 NE2 HIS A1160 12.960 10.799 8.178 1.00 12.90 N ATOM 465 H HIS A1160 9.435 7.874 8.991 1.00 0.00 H ATOM 466 N MET A1161 9.410 5.125 7.181 1.00 10.19 N ATOM 467 CA MET A1161 9.074 3.877 6.501 1.00 9.13 C ATOM 468 C MET A1161 8.295 4.112 5.185 1.00 9.28 C ATOM 469 O MET A1161 8.552 3.480 4.163 1.00 9.38 O ATOM 470 CB MET A1161 8.343 2.834 7.369 1.00 9.26 C ATOM 471 CG MET A1161 8.223 1.479 6.687 1.00 9.16 C ATOM 472 SD MET A1161 9.822 0.756 6.247 1.00 9.77 S ATOM 473 CE MET A1161 10.189 -0.098 7.776 1.00 9.90 C ATOM 474 H MET A1161 8.957 5.377 8.082 1.00 0.00 H ATOM 475 N LEU A1162 7.412 5.084 5.211 1.00 9.95 N ATOM 476 CA LEU A1162 6.743 5.474 3.967 1.00 11.49 C ATOM 477 C LEU A1162 7.788 5.977 2.936 1.00 11.25 C ATOM 478 O LEU A1162 7.750 5.638 1.750 1.00 11.44 O ATOM 479 CB LEU A1162 5.701 6.541 4.248 1.00 14.14 C ATOM 480 CG LEU A1162 4.902 7.003 3.033 1.00 16.09 C ATOM 481 CD1 LEU A1162 4.117 5.884 2.373 1.00 15.29 C ATOM 482 CD2 LEU A1162 3.995 8.160 3.484 1.00 17.34 C ATOM 483 H LEU A1162 7.190 5.571 6.103 1.00 0.00 H ATOM 484 N GLN A1163 8.754 6.770 3.374 1.00 11.32 N ATOM 485 CA GLN A1163 9.837 7.182 2.483 1.00 11.69 C ATOM 486 C GLN A1163 10.599 5.980 1.961 1.00 11.04 C ATOM 487 O GLN A1163 10.960 5.947 0.760 1.00 11.75 O ATOM 488 CB GLN A1163 10.783 8.114 3.237 1.00 15.07 C ATOM 489 CG GLN A1163 12.015 8.555 2.499 1.00 19.52 C ATOM 490 CD GLN A1163 12.805 9.510 3.410 1.00 25.09 C ATOM 491 OE1 GLN A1163 12.287 10.531 3.797 1.00 29.80 O ATOM 492 NE2 GLN A1163 14.001 9.099 3.830 1.00 30.37 N ATOM 493 HE22 GLN A1163 14.403 8.212 3.466 1.00 0.00 H ATOM 494 HE21 GLN A1163 14.532 9.665 4.522 1.00 0.00 H ATOM 495 H GLN A1163 8.742 7.102 4.359 1.00 0.00 H ATOM 496 N HIS A1164 10.921 5.006 2.815 1.00 10.35 N ATOM 497 CA HIS A1164 11.597 3.812 2.373 1.00 10.41 C ATOM 498 C HIS A1164 10.777 3.076 1.336 1.00 10.18 C ATOM 499 O HIS A1164 11.334 2.595 0.332 1.00 12.11 O ATOM 500 CB HIS A1164 11.903 2.944 3.571 1.00 10.53 C ATOM 501 CG HIS A1164 12.495 1.630 3.221 1.00 10.42 C ATOM 502 ND1 HIS A1164 13.749 1.523 2.657 1.00 11.37 N ATOM 503 CD2 HIS A1164 11.962 0.396 3.189 1.00 10.45 C ATOM 504 CE1 HIS A1164 14.008 0.245 2.442 1.00 10.86 C ATOM 505 NE2 HIS A1164 12.938 -0.466 2.738 1.00 11.61 N ATOM 506 H HIS A1164 10.679 5.111 3.821 1.00 0.00 H ATOM 507 N HIS A1165 9.479 2.942 1.561 1.00 10.57 N ATOM 508 CA HIS A1165 8.637 2.322 0.538 1.00 10.10 C ATOM 509 C HIS A1165 8.800 3.065 -0.805 1.00 10.98 C ATOM 510 O HIS A1165 8.898 2.427 -1.899 1.00 11.29 O ATOM 511 CB HIS A1165 7.158 2.276 0.942 1.00 10.65 C ATOM 512 CG HIS A1165 6.283 1.964 -0.212 1.00 9.99 C ATOM 513 ND1 HIS A1165 6.232 0.715 -0.794 1.00 10.62 N ATOM 514 CD2 HIS A1165 5.485 2.770 -0.957 1.00 10.90 C ATOM 515 CE1 HIS A1165 5.412 0.762 -1.831 1.00 11.98 C ATOM 516 NE2 HIS A1165 4.963 1.997 -1.962 1.00 10.71 N ATOM 517 H HIS A1165 9.063 3.274 2.455 1.00 0.00 H ATOM 518 N GLY A1166 8.827 4.383 -0.738 1.00 11.26 N ATOM 519 CA GLY A1166 8.837 5.168 -1.982 1.00 11.37 C ATOM 520 C GLY A1166 10.141 4.981 -2.706 1.00 11.45 C ATOM 521 O GLY A1166 10.174 4.964 -3.952 1.00 12.86 O ATOM 522 H GLY A1166 8.841 4.862 0.185 1.00 0.00 H ATOM 523 N ASN A1167 11.237 4.876 -1.971 1.00 12.57 N ATOM 524 CA ASN A1167 12.551 4.855 -2.613 1.00 14.17 C ATOM 525 C ASN A1167 13.096 3.470 -2.920 1.00 14.28 C ATOM 526 O ASN A1167 14.105 3.331 -3.649 1.00 15.09 O ATOM 527 CB ASN A1167 13.557 5.768 -1.881 1.00 16.68 C ATOM 528 CG ASN A1167 14.008 5.236 -0.547 1.00 17.28 C ATOM 529 OD1 ASN A1167 14.203 4.033 -0.380 1.00 18.19 O ATOM 530 ND2 ASN A1167 14.196 6.138 0.418 1.00 19.22 N ATOM 531 HD22 ASN A1167 14.018 7.145 0.230 1.00 0.00 H ATOM 532 HD21 ASN A1167 14.521 5.834 1.358 1.00 0.00 H ATOM 533 H ASN A1167 11.164 4.808 -0.936 1.00 0.00 H ATOM 534 N SER A1168 12.439 2.420 -2.402 1.00 11.92 N ATOM 535 CA SER A1168 12.823 1.055 -2.635 1.00 12.14 C ATOM 536 C SER A1168 11.759 0.242 -3.402 1.00 12.24 C ATOM 537 O SER A1168 12.095 -0.819 -3.983 1.00 12.29 O ATOM 538 CB SER A1168 13.094 0.308 -1.304 1.00 11.84 C ATOM 539 OG SER A1168 11.852 0.112 -0.604 1.00 11.66 O ATOM 540 HG SER A1168 11.440 0.992 -0.412 1.00 0.00 H ATOM 541 H SER A1168 11.610 2.604 -1.802 1.00 0.00 H ATOM 542 N GLY A1169 10.491 0.661 -3.267 1.00 11.41 N ATOM 543 CA GLY A1169 9.367 -0.106 -3.707 1.00 12.43 C ATOM 544 C GLY A1169 8.973 -1.291 -2.850 1.00 11.97 C ATOM 545 O GLY A1169 8.032 -2.020 -3.212 1.00 12.90 O ATOM 546 H GLY A1169 10.318 1.585 -2.822 1.00 0.00 H ATOM 547 N HIS A1170 9.666 -1.525 -1.721 1.00 10.49 N ATOM 548 CA HIS A1170 9.355 -2.668 -0.896 1.00 10.44 C ATOM 549 C HIS A1170 7.946 -2.553 -0.326 1.00 9.69 C ATOM 550 O HIS A1170 7.579 -1.495 0.153 1.00 10.02 O ATOM 551 CB HIS A1170 10.392 -2.850 0.199 1.00 10.51 C ATOM 552 CG HIS A1170 11.753 -3.140 -0.331 1.00 11.03 C ATOM 553 ND1 HIS A1170 12.896 -3.052 0.428 1.00 10.75 N ATOM 554 CD2 HIS A1170 12.162 -3.551 -1.555 1.00 11.21 C ATOM 555 CE1 HIS A1170 13.961 -3.374 -0.297 1.00 11.95 C ATOM 556 NE2 HIS A1170 13.534 -3.706 -1.501 1.00 11.43 N ATOM 557 H HIS A1170 10.431 -0.878 -1.441 1.00 0.00 H ATOM 558 N PRO A1171 7.170 -3.632 -0.437 1.00 9.70 N ATOM 559 CA PRO A1171 5.737 -3.527 -0.194 1.00 9.45 C ATOM 560 C PRO A1171 5.245 -3.634 1.242 1.00 9.34 C ATOM 561 O PRO A1171 4.329 -2.892 1.615 1.00 9.74 O ATOM 562 CB PRO A1171 5.168 -4.716 -1.002 1.00 9.36 C ATOM 563 CG PRO A1171 6.253 -5.755 -1.043 1.00 9.37 C ATOM 564 CD PRO A1171 7.519 -4.912 -1.122 1.00 9.86 C ATOM 565 N LEU A1172 5.811 -4.588 1.981 1.00 8.93 N ATOM 566 CA LEU A1172 5.218 -5.046 3.236 1.00 9.33 C ATOM 567 C LEU A1172 6.104 -4.737 4.405 1.00 9.21 C ATOM 568 O LEU A1172 7.307 -5.006 4.349 1.00 9.73 O ATOM 569 CB LEU A1172 4.956 -6.538 3.151 1.00 9.70 C ATOM 570 CG LEU A1172 3.662 -6.852 2.413 1.00 11.64 C ATOM 571 CD1 LEU A1172 3.755 -8.119 1.586 1.00 13.89 C ATOM 572 CD2 LEU A1172 2.518 -6.954 3.406 1.00 11.94 C ATOM 573 H LEU A1172 6.700 -5.019 1.655 1.00 0.00 H ATOM 574 N VAL A1173 5.484 -4.195 5.462 1.00 7.97 N ATOM 575 CA VAL A1173 6.200 -3.800 6.673 1.00 8.31 C ATOM 576 C VAL A1173 5.472 -4.294 7.918 1.00 8.64 C ATOM 577 O VAL A1173 4.247 -4.399 7.897 1.00 9.62 O ATOM 578 CB VAL A1173 6.418 -2.254 6.707 1.00 8.57 C ATOM 579 CG1 VAL A1173 7.314 -1.856 5.519 1.00 9.35 C ATOM 580 CG2 VAL A1173 5.082 -1.487 6.699 1.00 9.13 C ATOM 581 H VAL A1173 4.455 -4.050 5.419 1.00 0.00 H ATOM 582 N LEU A1174 6.213 -4.607 8.983 1.00 8.89 N ATOM 583 CA LEU A1174 5.721 -5.173 10.238 1.00 9.89 C ATOM 584 C LEU A1174 5.879 -4.143 11.357 1.00 10.03 C ATOM 585 O LEU A1174 6.952 -3.591 11.540 1.00 9.59 O ATOM 586 CB LEU A1174 6.469 -6.473 10.524 1.00 11.74 C ATOM 587 CG LEU A1174 6.085 -7.159 11.834 1.00 13.50 C ATOM 588 CD1 LEU A1174 4.706 -7.747 11.738 1.00 15.90 C ATOM 589 CD2 LEU A1174 7.057 -8.234 12.217 1.00 15.40 C ATOM 590 H LEU A1174 7.236 -4.432 8.914 1.00 0.00 H ATOM 591 N SER A1175 4.783 -3.875 12.078 1.00 9.58 N ATOM 592 CA SER A1175 4.809 -2.920 13.199 1.00 10.01 C ATOM 593 C SER A1175 5.444 -3.537 14.427 1.00 10.68 C ATOM 594 O SER A1175 5.009 -4.622 14.918 1.00 10.04 O ATOM 595 CB SER A1175 3.370 -2.556 13.567 1.00 9.85 C ATOM 596 OG SER A1175 3.380 -1.744 14.760 1.00 11.31 O ATOM 597 HG SER A1175 3.901 -0.919 14.592 1.00 0.00 H ATOM 598 H SER A1175 3.891 -4.353 11.840 1.00 0.00 H ATOM 599 N TYR A1176 6.388 -2.791 15.021 1.00 10.46 N ATOM 600 CA TYR A1176 6.962 -3.216 16.304 1.00 11.26 C ATOM 601 C TYR A1176 6.093 -2.819 17.494 1.00 13.29 C ATOM 602 O TYR A1176 6.409 -3.233 18.604 1.00 13.92 O ATOM 603 CB TYR A1176 8.383 -2.667 16.414 1.00 10.53 C ATOM 604 CG TYR A1176 9.420 -3.452 15.645 1.00 10.78 C ATOM 605 CD1 TYR A1176 9.205 -4.768 15.219 1.00 11.06 C ATOM 606 CD2 TYR A1176 10.657 -2.865 15.316 1.00 11.12 C ATOM 607 CE1 TYR A1176 10.203 -5.485 14.603 1.00 11.25 C ATOM 608 CE2 TYR A1176 11.654 -3.617 14.696 1.00 10.25 C ATOM 609 CZ TYR A1176 11.390 -4.907 14.338 1.00 11.23 C ATOM 610 OH TYR A1176 12.343 -5.691 13.753 1.00 11.78 O ATOM 611 HH TYR A1176 13.117 -5.778 14.364 1.00 0.00 H ATOM 612 H TYR A1176 6.713 -1.911 14.572 1.00 0.00 H ATOM 613 N ILE A1177 5.009 -2.070 17.264 1.00 13.68 N ATOM 614 CA ILE A1177 4.015 -1.762 18.307 1.00 15.68 C ATOM 615 C ILE A1177 3.025 -2.908 18.463 1.00 16.62 C ATOM 616 O ILE A1177 2.817 -3.403 19.602 1.00 18.88 O ATOM 617 CB ILE A1177 3.246 -0.450 18.012 1.00 19.02 C ATOM 618 CG1 ILE A1177 4.187 0.762 17.972 1.00 23.72 C ATOM 619 CG2 ILE A1177 2.090 -0.251 19.000 1.00 21.10 C ATOM 620 CD1 ILE A1177 5.026 1.014 19.193 1.00 29.76 C ATOM 621 H ILE A1177 4.861 -1.689 16.308 1.00 0.00 H ATOM 622 N ASP A1178 2.413 -3.372 17.370 1.00 14.39 N ATOM 623 CA ASP A1178 1.332 -4.407 17.498 1.00 15.66 C ATOM 624 C ASP A1178 1.473 -5.622 16.597 1.00 15.62 C ATOM 625 O ASP A1178 0.583 -6.487 16.549 1.00 15.60 O ATOM 626 CB ASP A1178 -0.078 -3.728 17.272 1.00 18.23 C ATOM 627 CG ASP A1178 -0.333 -3.432 15.828 1.00 21.04 C ATOM 628 OD1 ASP A1178 0.583 -3.519 15.030 1.00 17.04 O ATOM 629 OD2 ASP A1178 -1.457 -3.059 15.456 1.00 28.55 O ATOM 630 H ASP A1178 2.685 -3.017 16.431 1.00 0.00 H ATOM 631 N LEU A1179 2.589 -5.741 15.867 1.00 12.48 N ATOM 632 CA LEU A1179 2.921 -6.883 14.990 1.00 13.14 C ATOM 633 C LEU A1179 1.924 -7.050 13.855 1.00 13.66 C ATOM 634 O LEU A1179 1.775 -8.134 13.322 1.00 14.85 O ATOM 635 CB LEU A1179 3.067 -8.206 15.773 1.00 13.73 C ATOM 636 CG LEU A1179 4.001 -8.157 17.005 1.00 15.13 C ATOM 637 CD1 LEU A1179 4.161 -9.534 17.686 1.00 16.50 C ATOM 638 CD2 LEU A1179 5.357 -7.636 16.668 1.00 16.64 C ATOM 639 H LEU A1179 3.280 -4.965 15.922 1.00 0.00 H ATOM 640 N SER A1180 1.284 -5.988 13.482 1.00 13.17 N ATOM 641 CA SER A1180 0.496 -5.985 12.236 1.00 12.64 C ATOM 642 C SER A1180 1.423 -5.787 11.055 1.00 12.18 C ATOM 643 O SER A1180 2.446 -5.138 11.168 1.00 12.07 O ATOM 644 CB SER A1180 -0.523 -4.897 12.259 1.00 13.87 C ATOM 645 OG SER A1180 0.003 -3.583 12.358 1.00 18.25 O ATOM 646 HG SER A1180 0.525 -3.500 13.195 1.00 0.00 H ATOM 647 H SER A1180 1.326 -5.129 14.067 1.00 0.00 H ATOM 648 N ALA A1181 0.985 -6.248 9.901 1.00 11.51 N ATOM 649 CA ALA A1181 1.709 -6.116 8.633 1.00 10.98 C ATOM 650 C ALA A1181 0.875 -5.319 7.665 1.00 11.40 C ATOM 651 O ALA A1181 -0.304 -5.653 7.397 1.00 11.62 O ATOM 652 CB ALA A1181 1.993 -7.476 8.011 1.00 12.17 C ATOM 653 H ALA A1181 0.067 -6.737 9.889 1.00 0.00 H ATOM 654 N TRP A1182 1.486 -4.307 7.083 1.00 9.22 N ATOM 655 CA TRP A1182 0.836 -3.356 6.198 1.00 9.12 C ATOM 656 C TRP A1182 1.481 -3.467 4.860 1.00 9.36 C ATOM 657 O TRP A1182 2.705 -3.509 4.744 1.00 9.16 O ATOM 658 CB TRP A1182 1.037 -1.916 6.674 1.00 9.60 C ATOM 659 CG TRP A1182 0.421 -0.843 5.804 1.00 10.29 C ATOM 660 CD1 TRP A1182 1.082 -0.030 4.959 1.00 10.51 C ATOM 661 CD2 TRP A1182 -0.954 -0.465 5.722 1.00 10.94 C ATOM 662 NE1 TRP A1182 0.240 0.817 4.339 1.00 12.38 N ATOM 663 CE2 TRP A1182 -1.034 0.595 4.803 1.00 11.59 C ATOM 664 CE3 TRP A1182 -2.133 -0.929 6.345 1.00 11.40 C ATOM 665 CZ2 TRP A1182 -2.239 1.228 4.497 1.00 11.68 C ATOM 666 CZ3 TRP A1182 -3.347 -0.294 6.014 1.00 11.75 C ATOM 667 CH2 TRP A1182 -3.366 0.773 5.142 1.00 12.26 C ATOM 668 HE1 TRP A1182 0.510 1.524 3.625 1.00 0.00 H ATOM 669 H TRP A1182 2.501 -4.181 7.270 1.00 0.00 H ATOM 670 N CYS A1183 0.644 -3.486 3.815 1.00 9.55 N ATOM 671 CA CYS A1183 1.110 -3.409 2.458 1.00 9.41 C ATOM 672 C CYS A1183 0.821 -2.023 1.897 1.00 9.96 C ATOM 673 O CYS A1183 -0.323 -1.640 1.770 1.00 9.58 O ATOM 674 CB CYS A1183 0.443 -4.421 1.528 1.00 9.54 C ATOM 675 SG CYS A1183 1.051 -4.326 -0.200 1.00 10.00 S ATOM 676 H CYS A1183 -0.378 -3.559 3.992 1.00 0.00 H ATOM 677 N TYR A1184 1.867 -1.326 1.482 1.00 9.81 N ATOM 678 CA TYR A1184 1.724 0.026 0.947 1.00 10.39 C ATOM 679 C TYR A1184 1.077 0.085 -0.430 1.00 11.40 C ATOM 680 O TYR A1184 0.560 1.152 -0.783 1.00 12.66 O ATOM 681 CB TYR A1184 3.094 0.709 0.843 1.00 11.12 C ATOM 682 CG TYR A1184 3.658 1.135 2.160 1.00 10.60 C ATOM 683 CD1 TYR A1184 3.195 2.279 2.834 1.00 11.06 C ATOM 684 CD2 TYR A1184 4.699 0.409 2.753 1.00 10.80 C ATOM 685 CE1 TYR A1184 3.767 2.673 4.037 1.00 10.98 C ATOM 686 CE2 TYR A1184 5.250 0.788 3.948 1.00 10.50 C ATOM 687 CZ TYR A1184 4.777 1.908 4.594 1.00 11.94 C ATOM 688 OH TYR A1184 5.323 2.288 5.781 1.00 12.54 O ATOM 689 HH TYR A1184 4.869 3.106 6.105 1.00 0.00 H ATOM 690 H TYR A1184 2.814 -1.751 1.538 1.00 0.00 H ATOM 691 N TYR A1185 1.156 -0.998 -1.219 1.00 10.82 N ATOM 692 CA TYR A1185 0.498 -1.042 -2.540 1.00 11.37 C ATOM 693 C TYR A1185 -0.960 -1.282 -2.379 1.00 12.16 C ATOM 694 O TYR A1185 -1.784 -0.545 -2.935 1.00 13.24 O ATOM 695 CB TYR A1185 1.086 -2.142 -3.377 1.00 12.20 C ATOM 696 CG TYR A1185 2.502 -1.886 -3.857 1.00 12.56 C ATOM 697 CD1 TYR A1185 2.763 -1.115 -4.978 1.00 14.20 C ATOM 698 CD2 TYR A1185 3.580 -2.440 -3.214 1.00 12.50 C ATOM 699 CE1 TYR A1185 4.079 -0.925 -5.432 1.00 14.44 C ATOM 700 CE2 TYR A1185 4.893 -2.232 -3.647 1.00 13.04 C ATOM 701 CZ TYR A1185 5.135 -1.475 -4.758 1.00 14.32 C ATOM 702 OH TYR A1185 6.452 -1.333 -5.158 1.00 15.05 O ATOM 703 HH TYR A1185 6.972 -0.907 -4.431 1.00 0.00 H ATOM 704 H TYR A1185 1.694 -1.826 -0.892 1.00 0.00 H ATOM 705 N CYS A1186 -1.308 -2.288 -1.566 1.00 11.98 N ATOM 706 CA CYS A1186 -2.706 -2.624 -1.351 1.00 12.13 C ATOM 707 C CYS A1186 -3.383 -1.667 -0.384 1.00 13.09 C ATOM 708 O CYS A1186 -4.632 -1.662 -0.328 1.00 13.93 O ATOM 709 CB CYS A1186 -2.821 -4.078 -0.887 1.00 12.65 C ATOM 710 SG CYS A1186 -2.221 -5.349 -2.069 1.00 12.10 S ATOM 711 H CYS A1186 -0.568 -2.836 -1.082 1.00 0.00 H ATOM 712 N GLN A1187 -2.619 -0.881 0.370 1.00 12.60 N ATOM 713 CA GLN A1187 -3.150 0.022 1.369 1.00 13.48 C ATOM 714 C GLN A1187 -4.114 -0.764 2.279 1.00 12.50 C ATOM 715 O GLN A1187 -5.262 -0.371 2.547 1.00 12.42 O ATOM 716 CB GLN A1187 -3.782 1.246 0.719 1.00 17.70 C ATOM 717 CG GLN A1187 -2.745 2.031 -0.021 1.00 21.93 C ATOM 718 CD GLN A1187 -3.424 3.226 -0.631 1.00 28.87 C ATOM 719 OE1 GLN A1187 -3.898 3.168 -1.760 1.00 36.73 O ATOM 720 NE2 GLN A1187 -3.581 4.251 0.159 1.00 32.06 N ATOM 721 HE22 GLN A1187 -3.156 4.246 1.108 1.00 0.00 H ATOM 722 HE21 GLN A1187 -4.131 5.074 -0.160 1.00 0.00 H ATOM 723 H GLN A1187 -1.588 -0.917 0.235 1.00 0.00 H ATOM 724 N ALA A1188 -3.560 -1.840 2.825 1.00 10.90 N ATOM 725 CA ALA A1188 -4.275 -2.759 3.727 1.00 11.42 C ATOM 726 C ALA A1188 -3.380 -3.537 4.621 1.00 10.39 C ATOM 727 O ALA A1188 -2.207 -3.788 4.271 1.00 9.89 O ATOM 728 CB ALA A1188 -5.140 -3.721 2.943 1.00 12.31 C ATOM 729 H ALA A1188 -2.565 -2.046 2.603 1.00 0.00 H ATOM 730 N TYR A1189 -3.926 -3.982 5.754 1.00 11.13 N ATOM 731 CA TYR A1189 -3.269 -4.988 6.571 1.00 11.35 C ATOM 732 C TYR A1189 -3.453 -6.328 5.970 1.00 11.66 C ATOM 733 O TYR A1189 -4.507 -6.606 5.353 1.00 11.22 O ATOM 734 CB TYR A1189 -3.773 -4.976 8.013 1.00 12.29 C ATOM 735 CG TYR A1189 -3.412 -3.716 8.765 1.00 13.71 C ATOM 736 CD1 TYR A1189 -2.128 -3.537 9.242 1.00 16.48 C ATOM 737 CD2 TYR A1189 -4.336 -2.714 8.944 1.00 15.50 C ATOM 738 CE1 TYR A1189 -1.792 -2.364 9.940 1.00 17.00 C ATOM 739 CE2 TYR A1189 -3.991 -1.512 9.601 1.00 18.76 C ATOM 740 CZ TYR A1189 -2.710 -1.387 10.089 1.00 19.40 C ATOM 741 OH TYR A1189 -2.281 -0.237 10.728 1.00 25.16 O ATOM 742 HH TYR A1189 -1.336 -0.346 11.002 1.00 0.00 H ATOM 743 H TYR A1189 -4.844 -3.600 6.060 1.00 0.00 H ATOM 744 N VAL A1190 -2.469 -7.178 6.145 1.00 11.13 N ATOM 745 CA VAL A1190 -2.463 -8.524 5.514 1.00 12.45 C ATOM 746 C VAL A1190 -2.077 -9.526 6.589 1.00 15.34 C ATOM 747 O VAL A1190 -1.190 -9.278 7.423 1.00 14.58 O ATOM 748 CB VAL A1190 -1.468 -8.637 4.347 1.00 11.73 C ATOM 749 CG1 VAL A1190 -1.508 -10.004 3.665 1.00 11.39 C ATOM 750 CG2 VAL A1190 -1.762 -7.537 3.363 1.00 11.80 C ATOM 751 H VAL A1190 -1.666 -6.901 6.745 1.00 0.00 H ATOM 752 N HIS A1191 -2.731 -10.660 6.603 1.00 15.59 N ATOM 753 CA HIS A1191 -2.185 -11.737 7.376 1.00 16.09 C ATOM 754 C HIS A1191 -2.306 -13.028 6.605 1.00 15.83 C ATOM 755 O HIS A1191 -3.324 -13.296 5.970 1.00 18.16 O ATOM 756 CB HIS A1191 -2.800 -11.880 8.751 1.00 16.67 C ATOM 757 CG HIS A1191 -2.179 -13.002 9.507 1.00 17.41 C ATOM 758 ND1 HIS A1191 -0.921 -12.927 10.055 1.00 16.93 N ATOM 759 CD2 HIS A1191 -2.577 -14.268 9.661 1.00 18.16 C ATOM 760 CE1 HIS A1191 -0.585 -14.083 10.563 1.00 17.19 C ATOM 761 NE2 HIS A1191 -1.575 -14.924 10.344 1.00 18.59 N ATOM 762 H HIS A1191 -3.617 -10.776 6.071 1.00 0.00 H ATOM 763 N HIS A1192 -1.253 -13.797 6.701 1.00 16.25 N ATOM 764 CA HIS A1192 -1.104 -14.990 5.917 1.00 18.18 C ATOM 765 C HIS A1192 -0.159 -15.875 6.630 1.00 19.89 C ATOM 766 O HIS A1192 0.742 -15.412 7.347 1.00 19.11 O ATOM 767 CB HIS A1192 -0.633 -14.613 4.508 1.00 18.82 C ATOM 768 CG HIS A1192 -0.695 -15.738 3.536 1.00 18.59 C ATOM 769 ND1 HIS A1192 0.384 -16.549 3.293 1.00 20.68 N ATOM 770 CD2 HIS A1192 -1.697 -16.193 2.745 1.00 21.08 C ATOM 771 CE1 HIS A1192 0.076 -17.432 2.361 1.00 22.05 C ATOM 772 NE2 HIS A1192 -1.196 -17.267 2.044 1.00 21.41 N ATOM 773 H HIS A1192 -0.499 -13.536 7.367 1.00 0.00 H ATOM 774 N GLN A1193 -0.281 -17.181 6.383 1.00 22.36 N ATOM 775 CA GLN A1193 0.626 -18.168 6.949 1.00 24.72 C ATOM 776 C GLN A1193 2.088 -17.762 6.692 1.00 22.55 C ATOM 777 O GLN A1193 2.903 -17.961 7.546 1.00 24.54 O ATOM 778 CB GLN A1193 0.298 -19.571 6.344 1.00 28.17 C ATOM 779 CG GLN A1193 1.044 -20.743 6.950 1.00 31.38 C ATOM 780 CD GLN A1193 0.485 -22.109 6.523 1.00 31.79 C ATOM 781 OE1 GLN A1193 -0.212 -22.246 5.498 1.00 34.02 O ATOM 782 NE2 GLN A1193 0.796 -23.130 7.324 1.00 33.74 N ATOM 783 HE22 GLN A1193 1.381 -22.969 8.169 1.00 0.00 H ATOM 784 HE21 GLN A1193 0.454 -24.087 7.103 1.00 0.00 H ATOM 785 H GLN A1193 -1.052 -17.505 5.764 1.00 0.00 H ATOM 786 N ALA A1194 2.413 -17.186 5.520 1.00 23.13 N ATOM 787 CA ALA A1194 3.728 -16.672 5.124 1.00 22.89 C ATOM 788 C ALA A1194 4.309 -15.554 6.006 1.00 21.42 C ATOM 789 O ALA A1194 5.483 -15.209 5.898 1.00 22.42 O ATOM 790 CB ALA A1194 3.750 -16.192 3.675 1.00 25.45 C ATOM 791 H ALA A1194 1.649 -17.096 4.820 1.00 0.00 H ATOM 792 N LEU A1195 3.447 -14.931 6.764 1.00 17.16 N ATOM 793 CA LEU A1195 3.863 -13.939 7.762 1.00 17.11 C ATOM 794 C LEU A1195 4.007 -14.483 9.188 1.00 18.74 C ATOM 795 O LEU A1195 4.501 -13.744 10.104 1.00 16.13 O ATOM 796 CB LEU A1195 2.857 -12.786 7.753 1.00 16.11 C ATOM 797 CG LEU A1195 2.725 -12.053 6.446 1.00 16.83 C ATOM 798 CD1 LEU A1195 1.655 -10.992 6.501 1.00 15.92 C ATOM 799 CD2 LEU A1195 4.019 -11.456 6.010 1.00 19.09 C ATOM 800 H LEU A1195 2.435 -15.145 6.657 1.00 0.00 H ATOM 801 N LEU A1196 3.640 -15.749 9.419 1.00 18.84 N ATOM 802 CA LEU A1196 3.618 -16.270 10.791 1.00 20.82 C ATOM 803 C LEU A1196 5.019 -16.362 11.380 1.00 20.64 C ATOM 804 O LEU A1196 5.165 -16.017 12.520 1.00 17.58 O ATOM 805 CB LEU A1196 2.818 -17.613 10.939 1.00 21.29 C ATOM 806 CG LEU A1196 1.291 -17.538 10.938 1.00 25.72 C ATOM 807 CD1 LEU A1196 0.710 -18.942 10.832 1.00 26.36 C ATOM 808 CD2 LEU A1196 0.685 -16.886 12.171 1.00 26.85 C ATOM 809 H LEU A1196 3.370 -16.365 8.625 1.00 0.00 H ATOM 810 N ASP A1197 6.026 -16.804 10.630 1.00 23.63 N ATOM 811 CA ASP A1197 7.396 -16.948 11.153 1.00 24.56 C ATOM 812 C ASP A1197 7.961 -15.632 11.658 1.00 22.77 C ATOM 813 O ASP A1197 8.549 -15.573 12.733 1.00 21.01 O ATOM 814 CB ASP A1197 8.398 -17.493 10.108 1.00 29.80 C ATOM 815 CG ASP A1197 8.272 -18.996 9.870 1.00 38.32 C ATOM 816 OD1 ASP A1197 7.632 -19.688 10.691 1.00 40.03 O ATOM 817 OD2 ASP A1197 8.859 -19.482 8.859 1.00 44.34 O ATOM 818 H ASP A1197 5.839 -17.057 9.639 1.00 0.00 H ATOM 819 N VAL A1198 7.802 -14.574 10.859 1.00 19.48 N ATOM 820 CA VAL A1198 8.373 -13.298 11.227 1.00 18.49 C ATOM 821 C VAL A1198 7.568 -12.677 12.390 1.00 15.57 C ATOM 822 O VAL A1198 8.129 -12.049 13.283 1.00 14.81 O ATOM 823 CB VAL A1198 8.515 -12.368 10.007 1.00 19.03 C ATOM 824 CG1 VAL A1198 7.160 -11.874 9.522 1.00 18.44 C ATOM 825 CG2 VAL A1198 9.397 -11.197 10.339 1.00 18.92 C ATOM 826 H VAL A1198 7.267 -14.668 9.972 1.00 0.00 H ATOM 827 N LYS A1199 6.246 -12.841 12.417 1.00 13.97 N ATOM 828 CA LYS A1199 5.458 -12.301 13.523 1.00 13.40 C ATOM 829 C LYS A1199 5.848 -13.011 14.799 1.00 14.53 C ATOM 830 O LYS A1199 6.026 -12.404 15.848 1.00 13.93 O ATOM 831 CB LYS A1199 3.955 -12.396 13.292 1.00 13.74 C ATOM 832 CG LYS A1199 3.537 -11.418 12.193 1.00 13.10 C ATOM 833 CD LYS A1199 2.055 -11.461 11.997 1.00 13.51 C ATOM 834 CE LYS A1199 1.538 -10.396 11.026 1.00 14.49 C ATOM 835 NZ LYS A1199 0.045 -10.285 11.137 1.00 16.01 N ATOM 836 HZ1 LYS A1199 -0.388 -11.202 10.904 1.00 0.00 H ATOM 837 HZ2 LYS A1199 -0.210 -10.017 12.109 1.00 0.00 H ATOM 838 HZ3 LYS A1199 -0.298 -9.560 10.475 1.00 0.00 H ATOM 839 H LYS A1199 5.773 -13.356 11.647 1.00 0.00 H ATOM 840 N ASN A1200 6.058 -14.319 14.687 1.00 14.51 N ATOM 841 CA ASN A1200 6.416 -15.073 15.876 1.00 16.09 C ATOM 842 C ASN A1200 7.785 -14.707 16.430 1.00 15.19 C ATOM 843 O ASN A1200 7.906 -14.656 17.646 1.00 16.63 O ATOM 844 CB ASN A1200 6.450 -16.584 15.543 1.00 17.03 C ATOM 845 CG ASN A1200 5.062 -17.198 15.368 1.00 18.98 C ATOM 846 OD1 ASN A1200 4.954 -18.270 14.725 1.00 24.80 O ATOM 847 ND2 ASN A1200 4.029 -16.591 15.907 1.00 18.82 N ATOM 848 HD22 ASN A1200 4.163 -15.703 16.432 1.00 0.00 H ATOM 849 HD21 ASN A1200 3.077 -16.998 15.808 1.00 0.00 H ATOM 850 H ASN A1200 5.968 -14.793 13.766 1.00 0.00 H ATOM 851 N ILE A1201 8.772 -14.508 15.563 1.00 15.59 N ATOM 852 CA ILE A1201 10.137 -14.073 15.950 1.00 15.61 C ATOM 853 C ILE A1201 10.056 -12.701 16.608 1.00 14.25 C ATOM 854 O ILE A1201 10.604 -12.442 17.702 1.00 14.77 O ATOM 855 CB ILE A1201 11.128 -14.107 14.778 1.00 18.38 C ATOM 856 CG1 ILE A1201 11.449 -15.574 14.499 1.00 22.40 C ATOM 857 CG2 ILE A1201 12.390 -13.321 15.070 1.00 20.13 C ATOM 858 CD1 ILE A1201 12.292 -15.803 13.302 1.00 26.45 C ATOM 859 H ILE A1201 8.576 -14.666 14.554 1.00 0.00 H ATOM 860 N ALA A1202 9.288 -11.805 15.997 1.00 13.84 N ATOM 861 CA ALA A1202 9.079 -10.524 16.635 1.00 12.96 C ATOM 862 C ALA A1202 8.376 -10.592 17.987 1.00 13.81 C ATOM 863 O ALA A1202 8.797 -9.948 18.943 1.00 13.59 O ATOM 864 CB ALA A1202 8.294 -9.639 15.668 1.00 12.40 C ATOM 865 H ALA A1202 8.847 -12.020 15.080 1.00 0.00 H ATOM 866 N HIS A1203 7.278 -11.370 18.068 1.00 13.59 N ATOM 867 CA HIS A1203 6.536 -11.593 19.320 1.00 14.85 C ATOM 868 C HIS A1203 7.465 -12.129 20.421 1.00 15.57 C ATOM 869 O HIS A1203 7.413 -11.672 21.565 1.00 15.07 O ATOM 870 CB HIS A1203 5.427 -12.611 19.081 1.00 15.59 C ATOM 871 CG HIS A1203 4.434 -12.650 20.182 1.00 17.82 C ATOM 872 ND1 HIS A1203 4.646 -13.379 21.337 1.00 21.03 N ATOM 873 CD2 HIS A1203 3.280 -11.984 20.365 1.00 19.18 C ATOM 874 CE1 HIS A1203 3.618 -13.231 22.138 1.00 21.02 C ATOM 875 NE2 HIS A1203 2.792 -12.362 21.589 1.00 23.42 N ATOM 876 H HIS A1203 6.938 -11.836 17.203 1.00 0.00 H ATOM 877 N GLN A1204 8.355 -13.037 20.066 1.00 17.01 N ATOM 878 CA GLN A1204 9.287 -13.632 21.085 1.00 17.81 C ATOM 879 C GLN A1204 10.275 -12.543 21.583 1.00 17.77 C ATOM 880 O GLN A1204 10.570 -12.425 22.788 1.00 16.69 O ATOM 881 CB GLN A1204 10.071 -14.774 20.509 1.00 20.58 C ATOM 882 CG GLN A1204 9.224 -15.995 20.197 1.00 26.61 C ATOM 883 H GLN A1204 8.412 -13.343 19.074 1.00 0.00 H ATOM 884 N ASN A1205 10.756 -11.722 20.672 1.00 16.86 N ATOM 885 CA ASN A1205 11.722 -10.673 21.048 1.00 16.43 C ATOM 886 C ASN A1205 11.033 -9.615 21.885 1.00 16.13 C ATOM 887 O ASN A1205 11.613 -9.119 22.881 1.00 16.19 O ATOM 888 CB ASN A1205 12.381 -10.039 19.817 1.00 16.96 C ATOM 889 CG ASN A1205 13.438 -9.028 20.179 1.00 17.97 C ATOM 890 OD1 ASN A1205 13.227 -7.837 20.054 1.00 17.27 O ATOM 891 ND2 ASN A1205 14.593 -9.508 20.697 1.00 17.52 N ATOM 892 HD22 ASN A1205 14.735 -10.534 20.788 1.00 0.00 H ATOM 893 HD21 ASN A1205 15.338 -8.851 21.004 1.00 0.00 H ATOM 894 H ASN A1205 10.453 -11.814 19.682 1.00 0.00 H ATOM 895 N LYS A1206 9.787 -9.298 21.550 1.00 15.51 N ATOM 896 CA LYS A1206 9.070 -8.228 22.209 1.00 14.24 C ATOM 897 C LYS A1206 8.628 -8.646 23.620 1.00 15.85 C ATOM 898 O LYS A1206 8.768 -7.877 24.591 1.00 15.92 O ATOM 899 CB LYS A1206 7.851 -7.807 21.370 1.00 13.40 C ATOM 900 CG LYS A1206 7.070 -6.604 21.917 1.00 12.50 C ATOM 901 CD LYS A1206 6.095 -6.021 20.943 1.00 12.87 C ATOM 902 CE LYS A1206 5.313 -4.771 21.461 1.00 12.88 C ATOM 903 NZ LYS A1206 6.055 -3.505 21.322 1.00 14.07 N ATOM 904 HZ1 LYS A1206 6.941 -3.562 21.864 1.00 0.00 H ATOM 905 HZ2 LYS A1206 6.272 -3.340 20.318 1.00 0.00 H ATOM 906 HZ3 LYS A1206 5.474 -2.723 21.686 1.00 0.00 H ATOM 907 H LYS A1206 9.314 -9.833 20.794 1.00 0.00 H ATOM 908 N PHE A1207 8.017 -9.828 23.713 1.00 18.97 N ATOM 909 CA PHE A1207 7.342 -10.237 24.965 1.00 21.43 C ATOM 910 C PHE A1207 8.086 -11.262 25.796 1.00 28.06 C ATOM 911 O PHE A1207 7.857 -11.321 27.015 1.00 31.22 O ATOM 912 CB PHE A1207 5.917 -10.712 24.668 1.00 21.09 C ATOM 913 CG PHE A1207 5.042 -9.668 24.055 1.00 20.59 C ATOM 914 CD1 PHE A1207 4.560 -8.608 24.817 1.00 21.56 C ATOM 915 CD2 PHE A1207 4.674 -9.726 22.727 1.00 20.80 C ATOM 916 CE1 PHE A1207 3.763 -7.609 24.250 1.00 20.32 C ATOM 917 CE2 PHE A1207 3.853 -8.743 22.158 1.00 21.69 C ATOM 918 CZ PHE A1207 3.404 -7.670 22.921 1.00 20.74 C ATOM 919 H PHE A1207 8.015 -10.470 22.895 1.00 0.00 H ATOM 920 N GLY A1208 8.960 -12.055 25.175 1.00 35.16 N ATOM 921 CA GLY A1208 9.560 -13.276 25.779 1.00 44.76 C ATOM 922 C GLY A1208 10.994 -13.025 26.203 1.00 51.67 C ATOM 923 O GLY A1208 11.398 -11.865 26.355 1.00 58.55 O ATOM 924 H GLY A1208 9.241 -11.804 24.206 1.00 0.00 H TER 925 GLY A1208 HETATM 926 ZN ZN A 1 12.981 -2.561 2.483 1.00 11.43 ZN HETATM 927 ZN ZN A 2 12.430 8.186 11.429 1.00 11.54 ZN HETATM 928 ZN ZN A 3 -0.087 -5.965 -1.359 1.00 10.93 ZN HETATM 929 O HOH 4 15.364 11.083 5.255 1.00 35.84 O HETATM 930 O HOH 5 -10.807 -10.021 5.331 1.00 26.89 O HETATM 931 O HOH 6 5.096 6.865 20.648 1.00 31.74 O HETATM 932 O HOH 7 6.428 -14.856 22.409 1.00 34.25 O HETATM 933 O HOH 8 17.574 -8.314 11.514 1.00 28.43 O HETATM 934 O HOH 9 4.624 -1.471 22.178 1.00 24.65 O HETATM 935 O HOH 10 9.711 -8.186 27.046 1.00 18.43 O HETATM 936 O HOH 11 21.328 -17.231 14.141 1.00 21.26 O HETATM 937 O HOH 12 6.248 5.929 7.678 1.00 10.61 O HETATM 938 O HOH 13 17.405 6.613 19.878 1.00 19.40 O HETATM 939 O HOH 14 14.846 -6.138 21.883 1.00 32.97 O HETATM 940 O HOH 15 4.855 0.502 14.688 1.00 21.74 O HETATM 941 O HOH 16 3.522 2.808 -4.084 1.00 17.15 O HETATM 942 O HOH 17 -6.651 -2.936 -1.570 1.00 31.87 O HETATM 943 O HOH 18 -4.107 -16.356 4.930 1.00 27.04 O HETATM 944 O HOH 19 7.197 10.115 4.474 1.00 25.93 O HETATM 945 O HOH 20 14.843 -4.801 -3.623 1.00 31.90 O HETATM 946 O HOH 21 11.660 0.042 17.671 1.00 15.16 O HETATM 947 O HOH 22 19.088 -4.422 4.460 1.00 18.45 O HETATM 948 O HOH 23 17.803 1.073 12.363 1.00 13.74 O HETATM 949 O HOH 24 15.109 -5.375 13.867 1.00 11.12 O HETATM 950 O HOH 25 2.313 -3.977 -7.438 1.00 25.89 O HETATM 951 O HOH 26 4.935 11.397 8.181 1.00 36.13 O HETATM 952 O HOH 27 12.993 -13.541 18.513 1.00 18.76 O HETATM 953 O HOH 28 8.226 -5.992 1.939 1.00 12.30 O HETATM 954 O HOH 29 14.770 -1.383 -4.356 1.00 28.80 O HETATM 955 O HOH 30 6.220 6.803 -0.271 1.00 28.41 O HETATM 956 O HOH 31 12.651 -6.571 23.187 1.00 17.58 O HETATM 957 O HOH 32 -4.380 0.257 -3.499 1.00 36.54 O HETATM 958 O HOH 33 3.505 12.978 10.949 1.00 26.43 O HETATM 959 O HOH 34 0.855 3.744 0.176 1.00 30.15 O HETATM 960 O HOH 35 10.770 -3.011 -5.065 1.00 27.37 O HETATM 961 O HOH 36 6.302 3.576 19.978 1.00 25.75 O HETATM 962 O HOH 37 -1.165 -9.440 13.516 1.00 21.95 O HETATM 963 O HOH 38 5.620 -18.334 8.205 1.00 26.26 O HETATM 964 O HOH 39 11.037 -15.589 2.028 1.00 27.74 O HETATM 965 O HOH 40 1.863 -12.814 -3.221 1.00 14.38 O HETATM 966 O HOH 41 16.763 12.880 14.548 1.00 26.61 O HETATM 967 O HOH 42 9.956 -1.173 20.871 1.00 17.38 O HETATM 968 O HOH 43 4.190 -8.290 -6.319 1.00 15.73 O HETATM 969 O HOH 44 17.844 -1.590 20.258 1.00 24.83 O HETATM 970 O HOH 45 13.358 -10.438 24.694 1.00 37.53 O HETATM 971 O HOH 46 8.703 -3.198 22.314 1.00 14.23 O HETATM 972 O HOH 47 11.647 1.182 20.891 1.00 16.85 O HETATM 973 O HOH 48 20.756 -14.723 7.692 1.00 28.45 O HETATM 974 O HOH 49 18.227 -3.712 10.413 1.00 23.90 O HETATM 975 O HOH 50 15.801 -6.230 11.389 1.00 17.22 O HETATM 976 O HOH 51 17.348 -9.307 18.691 1.00 29.27 O HETATM 977 O HOH 52 17.821 1.999 2.303 1.00 37.23 O HETATM 978 O HOH 53 8.749 -15.551 -2.829 1.00 35.74 O HETATM 979 O HOH 54 14.086 8.987 0.134 1.00 28.31 O HETATM 980 O HOH 55 1.786 5.094 5.540 1.00 34.23 O HETATM 981 O HOH 56 -0.683 -0.676 13.095 1.00 34.11 O HETATM 982 O HOH 57 10.138 -14.589 6.086 1.00 18.43 O HETATM 983 O HOH 58 1.867 -12.602 -6.142 1.00 25.88 O HETATM 984 O HOH 59 6.059 -16.185 19.283 1.00 29.25 O HETATM 985 O HOH 60 18.513 -16.388 7.193 1.00 23.98 O HETATM 986 O HOH 61 18.735 1.896 7.887 1.00 24.59 O HETATM 987 O HOH 62 7.637 -14.949 7.941 1.00 20.45 O HETATM 988 O HOH 63 17.604 0.082 9.708 1.00 15.14 O HETATM 989 O HOH 64 15.145 -12.504 17.117 1.00 25.40 O HETATM 990 O HOH 65 -6.809 -3.292 6.150 1.00 19.79 O HETATM 991 O HOH 66 15.945 -15.607 12.939 1.00 33.25 O HETATM 992 O HOH 67 11.158 9.287 22.357 1.00 36.37 O HETATM 993 O HOH 68 14.527 -12.506 20.994 1.00 30.00 O HETATM 994 O HOH 69 12.261 -9.088 27.296 1.00 34.20 O HETATM 995 O HOH 70 0.949 0.177 14.710 1.00 32.18 O HETATM 996 O HOH 71 12.745 -17.086 7.035 1.00 32.17 O HETATM 997 O HOH 72 13.445 8.721 20.495 1.00 17.65 O HETATM 998 O HOH 73 0.020 3.724 2.989 1.00 23.77 O HETATM 999 O HOH 74 -2.586 4.874 3.187 1.00 29.42 O HETATM 1000 O HOH 75 -1.194 -1.890 -6.100 1.00 27.10 O HETATM 1001 O HOH 76 19.546 -1.660 9.471 1.00 27.58 O HETATM 1002 O HOH 77 7.587 10.036 1.896 1.00 41.76 O HETATM 1003 O HOH 78 15.935 -15.097 15.811 1.00 30.32 O HETATM 1004 O HOH 79 16.637 -5.699 23.853 1.00 20.76 O HETATM 1005 O HOH 80 -0.299 -14.695 22.649 1.00 31.28 O HETATM 1006 O HOH 81 -2.634 -3.994 -5.028 1.00 17.72 O HETATM 1007 O HOH 82 12.862 -4.605 -5.595 1.00 39.33 O HETATM 1008 O HOH 83 20.141 2.232 13.134 1.00 29.10 O HETATM 1009 O HOH 84 0.597 -2.137 -7.935 1.00 31.84 O HETATM 1010 O HOH 85 -8.480 -4.329 -0.491 1.00 30.39 O HETATM 1011 C9 UNN A 86 -1.403 2.240 8.078 1.00 0.05 C HETATM 1012 C8 UNN A 86 -2.743 2.328 8.406 1.00 -0.05 C HETATM 1013 C7 UNN A 86 -3.524 3.274 7.797 1.00 -0.06 C HETATM 1014 C6 UNN A 86 -2.966 4.111 6.861 1.00 0.03 C HETATM 1015 C5 UNN A 86 -1.614 4.072 6.529 1.00 -0.04 C HETATM 1016 C4 UNN A 86 -0.805 3.118 7.175 1.00 0.02 C HETATM 1017 N UNN A 86 0.583 2.945 7.045 1.00 -0.31 N HETATM 1018 C3 UNN A 86 0.993 1.986 7.818 1.00 0.10 C HETATM 1019 C2 UNN A 86 2.363 1.549 8.124 1.00 0.03 C HETATM 1020 C1 UNN A 86 3.430 2.372 7.657 1.00 0.02 C HETATM 1021 C UNN A 86 3.550 3.753 8.190 1.00 0.04 C HETATM 1022 O1 UNN A 86 3.094 4.325 9.217 1.00 -0.57 O HETATM 1023 O UNN A 86 4.225 4.247 7.272 1.00 -0.57 O HETATM 1024 H1 UNN A 86 3.322 2.454 6.565 1.00 0.05 H HETATM 1025 H2 UNN A 86 4.369 1.851 7.894 1.00 0.05 H HETATM 1026 H3 UNN A 86 2.452 1.481 9.218 1.00 0.06 H HETATM 1027 H4 UNN A 86 2.498 0.550 7.683 1.00 0.06 H HETATM 1028 S UNN A 86 -0.239 1.173 8.729 1.00 0.01 S HETATM 1029 H5 UNN A 86 -1.198 4.754 5.797 1.00 0.06 H HETATM 1030 CL UNN A 86 -4.015 5.211 6.025 1.00 -0.08 CL HETATM 1031 H7 UNN A 86 -4.574 3.362 8.051 1.00 0.06 H HETATM 1032 H6 UNN A 86 -3.172 1.654 9.139 1.00 0.06 H CONECT 48 47 928 CONECT 63 62 65 928 CONECT 205 204 927 CONECT 226 225 927 CONECT 313 312 926 CONECT 337 336 926 CONECT 392 391 927 CONECT 461 460 463 927 CONECT 505 503 504 926 CONECT 553 552 555 926 CONECT 675 674 928 CONECT 710 709 928 CONECT 926 313 337 505 553 CONECT 927 205 226 392 461 CONECT 928 48 63 675 710 CONECT 1011 1012 1016 1028 CONECT 1012 1011 1013 1032 CONECT 1013 1012 1014 1031 CONECT 1014 1013 1015 1030 CONECT 1015 1014 1016 1029 CONECT 1016 1011 1015 1017 CONECT 1017 1016 1018 CONECT 1018 1017 1019 1028 CONECT 1019 1018 1020 1026 1027 CONECT 1020 1019 1021 1024 1025 CONECT 1021 1020 1022 1023 CONECT 1022 1021 CONECT 1023 1021 CONECT 1024 1020 CONECT 1025 1020 CONECT 1026 1019 CONECT 1027 1019 CONECT 1028 1011 1018 CONECT 1029 1015 CONECT 1030 1014 CONECT 1031 1013 CONECT 1032 1012 MASTER 0 0 0 0 0 0 0 0 1031 1 37 8 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 5kh3
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5kh7
RCSB PDB
PDBbind
107aa, >5KH7_1|Chain... at 100%
6ce6
RCSB PDB
PDBbind
107aa, >6CE6_1|Chain... at 100%
6ce8
RCSB PDB
PDBbind
107aa, >6CE8_1|Chain... at 100%
6cea
RCSB PDB
PDBbind
107aa, >6CEA_1|Chain... at 100%
6cec
RCSB PDB
PDBbind
107aa, >6CEC_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%
5wpb
RCSB PDB
PDBbind
102aa, >5WPB_1|Chain... 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
5kh3
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Histone deacetylase 6
Ligand Name
6U6
EC.Number
E.C.3.5.1.98
Resolution
1.6(Å)
Affinity (Kd/Ki/IC50)
Kd=60uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) J. Med. Chem. Vol. 60: pp. 9090-9096
Ligand Properties
Formula
C
1
0
H
8
ClNO
2
S
Molecular Weight
241.694
Exact Mass
240.996
No. of atoms
23
No. of bonds
24
Polar Surface Area
78.43
LOGP Value
4.24 (
Computed with XLOGP3
)
2.97 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 2
Canonical SMILES
OC(=O)CCc1nc2c(s1)ccc(c2)Cl
InChI String
InChI=1S/C10H8ClNO2S/c11-6-1-2-8-7(5-6)12-9(15-8)3-4-10(13)14/h1-2,5H,3-4H2,(H,13,14)
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
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com
times since Nov 2007. 
娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓