Browse entries in the PDBbind-CN Database
HEADER 6CEE_COMPLEX COMPND 6CEE_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 EYM A 191 28 ATOM 1 N SER A1108 -10.861 -7.945 9.970 1.00 24.84 N ATOM 2 CA SER A1108 -9.768 -8.906 9.676 1.00 24.10 C ATOM 3 C SER A1108 -8.784 -8.266 8.683 1.00 19.79 C ATOM 4 O SER A1108 -9.201 -7.467 7.832 1.00 20.47 O ATOM 5 CB SER A1108 -10.357 -10.148 8.998 1.00 26.45 C ATOM 6 OG SER A1108 -10.938 -11.029 9.941 1.00 31.61 O ATOM 7 HG SER A1108 -11.307 -11.818 9.470 1.00 0.00 H ATOM 8 HN3 SER A1108 -11.359 -7.708 9.088 1.00 0.00 H ATOM 9 HN2 SER A1108 -10.459 -7.081 10.385 1.00 0.00 H ATOM 10 HN1 SER A1108 -11.528 -8.376 10.642 1.00 0.00 H ATOM 11 N PRO A1109 -7.504 -8.652 8.760 1.00 16.22 N ATOM 12 CA PRO A1109 -6.597 -8.320 7.672 1.00 14.43 C ATOM 13 C PRO A1109 -6.986 -9.087 6.372 1.00 14.49 C ATOM 14 O PRO A1109 -7.812 -10.012 6.378 1.00 15.80 O ATOM 15 CB PRO A1109 -5.246 -8.796 8.215 1.00 14.90 C ATOM 16 CG PRO A1109 -5.613 -10.007 9.044 1.00 15.87 C ATOM 17 CD PRO A1109 -6.862 -9.541 9.744 1.00 16.32 C ATOM 18 N LEU A1110 -6.384 -8.712 5.261 1.00 13.14 N ATOM 19 CA LEU A1110 -6.501 -9.536 4.066 1.00 12.52 C ATOM 20 C LEU A1110 -5.793 -10.848 4.319 1.00 12.14 C ATOM 21 O LEU A1110 -4.717 -10.897 4.927 1.00 11.77 O ATOM 22 CB LEU A1110 -5.828 -8.886 2.886 1.00 12.79 C ATOM 23 CG LEU A1110 -6.392 -7.568 2.395 1.00 13.71 C ATOM 24 CD1 LEU A1110 -5.428 -6.964 1.374 1.00 15.19 C ATOM 25 CD2 LEU A1110 -7.810 -7.722 1.852 1.00 14.78 C ATOM 26 H LEU A1110 -5.829 -7.833 5.238 1.00 0.00 H ATOM 27 N PRO A1111 -6.345 -11.957 3.812 1.00 10.94 N ATOM 28 CA PRO A1111 -5.668 -13.247 4.004 1.00 11.42 C ATOM 29 C PRO A1111 -4.530 -13.513 3.015 1.00 10.89 C ATOM 30 O PRO A1111 -3.861 -14.530 3.066 1.00 12.65 O ATOM 31 CB PRO A1111 -6.812 -14.256 3.798 1.00 12.45 C ATOM 32 CG PRO A1111 -7.693 -13.564 2.834 1.00 11.82 C ATOM 33 CD PRO A1111 -7.719 -12.133 3.299 1.00 11.65 C ATOM 34 N TRP A1112 -4.331 -12.621 2.049 1.00 10.41 N ATOM 35 CA TRP A1112 -3.316 -12.778 1.017 1.00 10.24 C ATOM 36 C TRP A1112 -3.140 -11.414 0.366 1.00 10.02 C ATOM 37 O TRP A1112 -4.074 -10.619 0.338 1.00 10.52 O ATOM 38 CB TRP A1112 -3.765 -13.783 -0.069 1.00 11.11 C ATOM 39 CG TRP A1112 -2.790 -14.115 -1.089 1.00 11.00 C ATOM 40 CD1 TRP A1112 -1.808 -15.045 -0.983 1.00 11.07 C ATOM 41 CD2 TRP A1112 -2.618 -13.510 -2.407 1.00 10.01 C ATOM 42 NE1 TRP A1112 -1.064 -15.095 -2.128 1.00 11.61 N ATOM 43 CE2 TRP A1112 -1.537 -14.164 -3.024 1.00 10.46 C ATOM 44 CE3 TRP A1112 -3.305 -12.523 -3.141 1.00 10.43 C ATOM 45 CZ2 TRP A1112 -1.108 -13.850 -4.290 1.00 10.69 C ATOM 46 CZ3 TRP A1112 -2.881 -12.234 -4.425 1.00 10.10 C ATOM 47 CH2 TRP A1112 -1.799 -12.901 -4.981 1.00 10.45 C ATOM 48 HE1 TRP A1112 -0.264 -15.738 -2.296 1.00 0.00 H ATOM 49 H TRP A1112 -4.929 -11.770 2.030 1.00 0.00 H ATOM 50 N CYS A1113 -1.992 -11.179 -0.223 1.00 9.23 N ATOM 51 CA CYS A1113 -1.878 -10.071 -1.175 1.00 8.95 C ATOM 52 C CYS A1113 -0.809 -10.430 -2.196 1.00 9.30 C ATOM 53 O CYS A1113 0.035 -11.287 -1.950 1.00 9.38 O ATOM 54 CB CYS A1113 -1.621 -8.718 -0.477 1.00 8.50 C ATOM 55 SG CYS A1113 0.115 -8.127 -0.370 1.00 8.23 S ATOM 56 H CYS A1113 -1.166 -11.776 -0.015 1.00 0.00 H ATOM 57 N PRO A1114 -0.803 -9.732 -3.347 1.00 9.78 N ATOM 58 CA PRO A1114 0.099 -10.117 -4.424 1.00 9.49 C ATOM 59 C PRO A1114 1.568 -9.698 -4.206 1.00 9.45 C ATOM 60 O PRO A1114 2.434 -9.916 -5.067 1.00 9.75 O ATOM 61 CB PRO A1114 -0.502 -9.408 -5.619 1.00 11.22 C ATOM 62 CG PRO A1114 -1.270 -8.261 -5.052 1.00 11.19 C ATOM 63 CD PRO A1114 -1.798 -8.724 -3.756 1.00 10.12 C ATOM 64 N HIS A1115 1.833 -9.099 -3.036 1.00 8.61 N ATOM 65 CA HIS A1115 3.193 -8.679 -2.676 1.00 8.73 C ATOM 66 C HIS A1115 3.887 -9.592 -1.703 1.00 9.04 C ATOM 67 O HIS A1115 5.086 -9.390 -1.424 1.00 9.81 O ATOM 68 CB HIS A1115 3.233 -7.218 -2.187 1.00 8.12 C ATOM 69 CG HIS A1115 2.554 -6.294 -3.134 1.00 8.78 C ATOM 70 ND1 HIS A1115 1.231 -5.912 -3.024 1.00 9.19 N ATOM 71 CD2 HIS A1115 3.008 -5.760 -4.288 1.00 9.42 C ATOM 72 CE1 HIS A1115 0.905 -5.178 -4.083 1.00 9.09 C ATOM 73 NE2 HIS A1115 1.962 -5.082 -4.881 1.00 9.20 N ATOM 74 H HIS A1115 1.056 -8.928 -2.367 1.00 0.00 H ATOM 75 N LEU A1116 3.205 -10.634 -1.210 1.00 8.80 N ATOM 76 CA LEU A1116 3.856 -11.602 -0.336 1.00 9.52 C ATOM 77 C LEU A1116 5.065 -12.260 -0.956 1.00 10.33 C ATOM 78 O LEU A1116 6.006 -12.615 -0.239 1.00 10.31 O ATOM 79 CB LEU A1116 2.847 -12.644 0.121 1.00 9.11 C ATOM 80 CG LEU A1116 1.753 -12.106 1.051 1.00 9.76 C ATOM 81 CD1 LEU A1116 0.660 -13.180 1.182 1.00 10.88 C ATOM 82 CD2 LEU A1116 2.303 -11.768 2.443 1.00 9.37 C ATOM 83 H LEU A1116 2.201 -10.754 -1.453 1.00 0.00 H ATOM 84 N VAL A1117 5.110 -12.327 -2.287 1.00 11.73 N ATOM 85 CA VAL A1117 6.292 -12.855 -3.002 1.00 12.98 C ATOM 86 C VAL A1117 7.561 -12.089 -2.733 1.00 12.85 C ATOM 87 O VAL A1117 8.670 -12.607 -2.942 1.00 14.53 O ATOM 88 CB VAL A1117 6.048 -12.948 -4.516 1.00 13.77 C ATOM 89 CG1 VAL A1117 5.025 -14.012 -4.774 1.00 14.80 C ATOM 90 CG2 VAL A1117 5.631 -11.623 -5.117 1.00 13.63 C ATOM 91 H VAL A1117 4.291 -11.999 -2.838 1.00 0.00 H ATOM 92 N ALA A1118 7.434 -10.833 -2.291 1.00 11.44 N ATOM 93 CA ALA A1118 8.580 -9.973 -1.995 1.00 10.90 C ATOM 94 C ALA A1118 9.057 -10.069 -0.552 1.00 10.88 C ATOM 95 O ALA A1118 10.057 -9.420 -0.180 1.00 10.41 O ATOM 96 CB ALA A1118 8.239 -8.522 -2.355 1.00 11.31 C ATOM 97 H ALA A1118 6.477 -10.450 -2.151 1.00 0.00 H ATOM 98 N VAL A1119 8.383 -10.887 0.256 1.00 10.17 N ATOM 99 CA VAL A1119 8.843 -11.106 1.654 1.00 10.42 C ATOM 100 C VAL A1119 10.074 -12.009 1.585 1.00 10.78 C ATOM 101 O VAL A1119 10.041 -13.135 1.005 1.00 11.92 O ATOM 102 CB VAL A1119 7.746 -11.725 2.514 1.00 11.02 C ATOM 103 CG1 VAL A1119 8.327 -12.114 3.886 1.00 11.54 C ATOM 104 CG2 VAL A1119 6.592 -10.737 2.609 1.00 11.32 C ATOM 105 H VAL A1119 7.532 -11.374 -0.092 1.00 0.00 H ATOM 106 N CYS A1120 11.153 -11.520 2.202 1.00 9.77 N ATOM 107 CA CYS A1120 12.442 -12.218 2.116 1.00 10.47 C ATOM 108 C CYS A1120 12.769 -12.958 3.399 1.00 10.88 C ATOM 109 O CYS A1120 12.165 -12.769 4.448 1.00 11.31 O ATOM 110 CB CYS A1120 13.512 -11.217 1.725 1.00 10.13 C ATOM 111 SG CYS A1120 13.282 -10.530 0.067 1.00 10.93 S ATOM 112 H CYS A1120 11.080 -10.638 2.748 1.00 0.00 H ATOM 113 N PRO A1121 13.734 -13.888 3.323 1.00 11.71 N ATOM 114 CA PRO A1121 14.038 -14.680 4.495 1.00 11.66 C ATOM 115 C PRO A1121 14.563 -13.830 5.651 1.00 11.97 C ATOM 116 O PRO A1121 15.282 -12.831 5.457 1.00 11.92 O ATOM 117 CB PRO A1121 15.096 -15.653 3.968 1.00 12.30 C ATOM 118 CG PRO A1121 14.759 -15.814 2.570 1.00 11.92 C ATOM 119 CD PRO A1121 14.421 -14.426 2.141 1.00 12.74 C ATOM 120 N ILE A1122 14.239 -14.294 6.843 1.00 12.88 N ATOM 121 CA ILE A1122 14.552 -13.616 8.034 1.00 13.08 C ATOM 122 C ILE A1122 16.054 -13.732 8.259 1.00 13.91 C ATOM 123 O ILE A1122 16.612 -14.839 8.152 1.00 16.25 O ATOM 124 CB ILE A1122 13.818 -14.195 9.255 1.00 15.33 C ATOM 125 CG1 ILE A1122 12.285 -14.197 9.069 1.00 17.62 C ATOM 126 CG2 ILE A1122 14.175 -13.378 10.456 1.00 16.48 C ATOM 127 CD1 ILE A1122 11.551 -15.185 9.956 1.00 18.93 C ATOM 128 H ILE A1122 13.731 -15.199 6.904 1.00 0.00 H ATOM 129 N PRO A1123 16.700 -12.620 8.568 1.00 12.95 N ATOM 130 CA PRO A1123 18.103 -12.753 8.945 1.00 13.45 C ATOM 131 C PRO A1123 18.333 -13.711 10.118 1.00 13.16 C ATOM 132 O PRO A1123 17.578 -13.761 11.103 1.00 12.78 O ATOM 133 CB PRO A1123 18.523 -11.336 9.297 1.00 13.88 C ATOM 134 CG PRO A1123 17.489 -10.450 8.709 1.00 14.28 C ATOM 135 CD PRO A1123 16.242 -11.223 8.626 1.00 13.63 C ATOM 136 N ALA A1124 19.442 -14.435 10.040 1.00 14.70 N ATOM 137 CA ALA A1124 19.823 -15.356 11.132 1.00 14.58 C ATOM 138 C ALA A1124 20.120 -14.612 12.443 1.00 15.42 C ATOM 139 O ALA A1124 19.993 -15.211 13.507 1.00 17.68 O ATOM 140 CB ALA A1124 21.000 -16.242 10.713 1.00 14.77 C ATOM 141 H ALA A1124 20.051 -14.354 9.201 1.00 0.00 H ATOM 142 N ALA A1125 20.446 -13.313 12.375 1.00 14.98 N ATOM 143 CA ALA A1125 20.579 -12.481 13.587 1.00 18.02 C ATOM 144 C ALA A1125 19.233 -12.271 14.302 1.00 19.00 C ATOM 145 O ALA A1125 19.164 -11.959 15.503 1.00 20.20 O ATOM 146 CB ALA A1125 21.208 -11.159 13.222 1.00 19.34 C ATOM 147 H ALA A1125 20.609 -12.880 11.444 1.00 0.00 H ATOM 148 N GLY A1126 18.141 -12.489 13.589 1.00 16.22 N ATOM 149 CA GLY A1126 16.845 -12.338 14.174 1.00 16.41 C ATOM 150 C GLY A1126 16.441 -10.875 14.050 1.00 15.71 C ATOM 151 O GLY A1126 16.979 -10.108 13.231 1.00 18.47 O ATOM 152 H GLY A1126 18.226 -12.773 12.592 1.00 0.00 H ATOM 153 N LEU A1127 15.453 -10.513 14.849 1.00 14.23 N ATOM 154 CA LEU A1127 14.897 -9.156 14.854 1.00 12.69 C ATOM 155 C LEU A1127 15.107 -8.529 16.206 1.00 12.34 C ATOM 156 O LEU A1127 15.105 -9.254 17.223 1.00 13.63 O ATOM 157 CB LEU A1127 13.392 -9.227 14.620 1.00 13.34 C ATOM 158 CG LEU A1127 12.995 -9.812 13.272 1.00 14.20 C ATOM 159 CD1 LEU A1127 11.508 -9.936 13.198 1.00 14.82 C ATOM 160 CD2 LEU A1127 13.486 -8.993 12.112 1.00 15.27 C ATOM 161 H LEU A1127 15.054 -11.219 15.500 1.00 0.00 H ATOM 162 N ASP A1128 15.252 -7.211 16.243 1.00 11.61 N ATOM 163 CA ASP A1128 15.385 -6.473 17.494 1.00 12.35 C ATOM 164 C ASP A1128 14.259 -5.481 17.501 1.00 10.79 C ATOM 165 O ASP A1128 14.303 -4.458 16.790 1.00 10.38 O ATOM 166 CB ASP A1128 16.712 -5.728 17.560 1.00 14.52 C ATOM 167 CG ASP A1128 16.864 -4.917 18.819 1.00 17.06 C ATOM 168 OD1 ASP A1128 15.949 -4.873 19.658 1.00 16.94 O ATOM 169 OD2 ASP A1128 17.933 -4.253 18.898 1.00 23.76 O ATOM 170 H ASP A1128 15.272 -6.684 15.347 1.00 0.00 H ATOM 171 N VAL A1129 13.218 -5.788 18.278 1.00 10.39 N ATOM 172 CA VAL A1129 12.061 -4.953 18.246 1.00 9.76 C ATOM 173 C VAL A1129 12.243 -3.578 18.926 1.00 9.78 C ATOM 174 O VAL A1129 11.369 -2.721 18.732 1.00 10.83 O ATOM 175 CB VAL A1129 10.763 -5.577 18.847 1.00 11.05 C ATOM 176 CG1 VAL A1129 10.468 -6.909 18.161 1.00 11.83 C ATOM 177 CG2 VAL A1129 10.868 -5.742 20.356 1.00 12.20 C ATOM 178 H VAL A1129 13.250 -6.623 18.897 1.00 0.00 H ATOM 179 N THR A1130 13.374 -3.407 19.627 1.00 9.99 N ATOM 180 CA THR A1130 13.713 -2.116 20.201 1.00 11.03 C ATOM 181 C THR A1130 14.692 -1.346 19.316 1.00 11.92 C ATOM 182 O THR A1130 15.200 -0.322 19.715 1.00 13.73 O ATOM 183 CB THR A1130 14.269 -2.261 21.620 1.00 11.57 C ATOM 184 OG1 THR A1130 15.566 -2.881 21.617 1.00 11.20 O ATOM 185 CG2 THR A1130 13.324 -2.977 22.495 1.00 11.56 C ATOM 186 HG1 THR A1130 15.895 -2.959 22.547 1.00 0.00 H ATOM 187 H THR A1130 14.019 -4.212 19.762 1.00 0.00 H ATOM 188 N GLN A1131 14.950 -1.801 18.091 1.00 10.90 N ATOM 189 CA GLN A1131 15.876 -1.111 17.190 1.00 10.93 C ATOM 190 C GLN A1131 15.255 0.203 16.782 1.00 11.83 C ATOM 191 O GLN A1131 14.044 0.261 16.428 1.00 11.76 O ATOM 192 CB GLN A1131 16.106 -1.968 15.948 1.00 11.12 C ATOM 193 CG GLN A1131 17.121 -1.428 14.977 1.00 10.90 C ATOM 194 CD GLN A1131 17.454 -2.409 13.887 1.00 10.92 C ATOM 195 OE1 GLN A1131 17.433 -3.616 14.108 1.00 12.00 O ATOM 196 NE2 GLN A1131 17.825 -1.909 12.742 1.00 12.57 N ATOM 197 HE22 GLN A1131 17.827 -0.879 12.601 1.00 0.00 H ATOM 198 HE21 GLN A1131 18.119 -2.540 11.970 1.00 0.00 H ATOM 199 H GLN A1131 14.481 -2.670 17.765 1.00 0.00 H ATOM 200 N PRO A1132 16.028 1.292 16.820 1.00 10.03 N ATOM 201 CA PRO A1132 15.477 2.588 16.477 1.00 9.53 C ATOM 202 C PRO A1132 15.380 2.836 14.977 1.00 9.40 C ATOM 203 O PRO A1132 15.976 2.081 14.158 1.00 9.54 O ATOM 204 CB PRO A1132 16.442 3.559 17.144 1.00 9.82 C ATOM 205 CG PRO A1132 17.721 2.861 17.065 1.00 10.41 C ATOM 206 CD PRO A1132 17.416 1.411 17.294 1.00 9.89 C ATOM 207 N CYS A1133 14.677 3.914 14.620 1.00 9.19 N ATOM 208 CA CYS A1133 14.589 4.298 13.229 1.00 9.49 C ATOM 209 C CYS A1133 15.956 4.554 12.647 1.00 10.06 C ATOM 210 O CYS A1133 16.770 5.309 13.217 1.00 11.13 O ATOM 211 CB CYS A1133 13.755 5.541 13.046 1.00 9.80 C ATOM 212 SG CYS A1133 13.623 6.134 11.354 1.00 10.02 S ATOM 213 H CYS A1133 14.191 4.479 15.345 1.00 0.00 H ATOM 214 N GLY A1134 16.226 3.903 11.521 1.00 10.10 N ATOM 215 CA GLY A1134 17.519 4.047 10.845 1.00 11.78 C ATOM 216 C GLY A1134 17.837 5.439 10.332 1.00 13.64 C ATOM 217 O GLY A1134 19.016 5.734 10.043 1.00 15.31 O ATOM 218 H GLY A1134 15.504 3.277 11.110 1.00 0.00 H ATOM 219 N ASP A1135 16.842 6.278 10.166 1.00 13.35 N ATOM 220 CA ASP A1135 17.021 7.670 9.749 1.00 14.14 C ATOM 221 C ASP A1135 17.082 8.609 10.940 1.00 13.98 C ATOM 222 O ASP A1135 18.127 9.266 11.136 1.00 15.83 O ATOM 223 CB ASP A1135 15.913 8.015 8.777 1.00 15.90 C ATOM 224 CG ASP A1135 16.134 9.296 8.096 1.00 20.83 C ATOM 225 OD1 ASP A1135 16.433 10.290 8.775 1.00 27.17 O ATOM 226 OD2 ASP A1135 15.995 9.314 6.863 1.00 25.32 O ATOM 227 H ASP A1135 15.875 5.936 10.340 1.00 0.00 H ATOM 228 N CYS A1136 16.016 8.703 11.735 1.00 12.03 N ATOM 229 CA CYS A1136 15.959 9.766 12.769 1.00 11.76 C ATOM 230 C CYS A1136 16.297 9.263 14.139 1.00 11.56 C ATOM 231 O CYS A1136 16.388 10.056 15.067 1.00 12.75 O ATOM 232 CB CYS A1136 14.608 10.404 12.775 1.00 12.23 C ATOM 233 SG CYS A1136 13.193 9.392 13.318 1.00 10.00 S ATOM 234 H CYS A1136 15.227 8.034 11.631 1.00 0.00 H ATOM 235 N GLY A1137 16.446 7.962 14.325 1.00 11.41 N ATOM 236 CA GLY A1137 16.806 7.435 15.649 1.00 11.27 C ATOM 237 C GLY A1137 15.691 7.326 16.659 1.00 11.16 C ATOM 238 O GLY A1137 15.900 6.910 17.784 1.00 12.60 O ATOM 239 H GLY A1137 16.307 7.307 13.529 1.00 0.00 H ATOM 240 N THR A1138 14.456 7.628 16.267 1.00 10.44 N ATOM 241 CA THR A1138 13.373 7.538 17.233 1.00 10.56 C ATOM 242 C THR A1138 13.155 6.114 17.699 1.00 11.16 C ATOM 243 O THR A1138 13.311 5.153 16.941 1.00 10.49 O ATOM 244 CB THR A1138 12.031 8.082 16.726 1.00 11.07 C ATOM 245 OG1 THR A1138 11.091 8.076 17.796 1.00 11.86 O ATOM 246 CG2 THR A1138 11.458 7.233 15.568 1.00 10.23 C ATOM 247 HG1 THR A1138 10.223 8.426 17.473 1.00 0.00 H ATOM 248 H THR A1138 14.269 7.923 15.287 1.00 0.00 H ATOM 249 N ILE A1139 12.837 5.967 18.968 1.00 11.87 N ATOM 250 CA ILE A1139 12.411 4.668 19.548 1.00 11.96 C ATOM 251 C ILE A1139 10.942 4.373 19.356 1.00 11.87 C ATOM 252 O ILE A1139 10.540 3.253 19.643 1.00 13.24 O ATOM 253 CB ILE A1139 12.696 4.584 21.061 1.00 14.74 C ATOM 254 CG1 ILE A1139 11.835 5.540 21.877 1.00 15.86 C ATOM 255 CG2 ILE A1139 14.170 4.851 21.342 1.00 16.49 C ATOM 256 CD1 ILE A1139 11.939 5.377 23.383 1.00 16.83 C ATOM 257 H ILE A1139 12.886 6.798 19.592 1.00 0.00 H ATOM 258 N GLN A1140 10.177 5.324 18.813 1.00 11.70 N ATOM 259 CA GLN A1140 8.724 5.210 18.726 1.00 11.72 C ATOM 260 C GLN A1140 8.202 4.706 17.356 1.00 11.66 C ATOM 261 O GLN A1140 8.698 5.109 16.325 1.00 11.25 O ATOM 262 CB GLN A1140 8.117 6.589 18.974 1.00 12.05 C ATOM 263 CG GLN A1140 8.446 7.145 20.332 1.00 13.16 C ATOM 264 CD GLN A1140 7.841 8.541 20.534 1.00 14.54 C ATOM 265 OE1 GLN A1140 8.556 9.514 20.711 1.00 18.23 O ATOM 266 NE2 GLN A1140 6.528 8.616 20.472 1.00 13.90 N ATOM 267 HE22 GLN A1140 5.965 7.755 20.319 1.00 0.00 H ATOM 268 HE21 GLN A1140 6.054 9.536 20.576 1.00 0.00 H ATOM 269 H GLN A1140 10.634 6.179 18.437 1.00 0.00 H ATOM 270 N GLU A1141 7.202 3.846 17.395 1.00 12.19 N ATOM 271 CA GLU A1141 6.403 3.511 16.233 1.00 11.88 C ATOM 272 C GLU A1141 7.232 2.963 15.084 1.00 10.44 C ATOM 273 O GLU A1141 6.931 3.238 13.933 1.00 11.25 O ATOM 274 CB GLU A1141 5.626 4.739 15.728 1.00 13.46 C ATOM 275 CG GLU A1141 4.660 5.305 16.751 1.00 14.77 C ATOM 276 CD GLU A1141 3.288 4.633 16.733 1.00 16.87 C ATOM 277 OE1 GLU A1141 2.724 4.479 15.650 1.00 17.77 O ATOM 278 OE2 GLU A1141 2.753 4.367 17.830 1.00 18.61 O ATOM 279 H GLU A1141 6.977 3.388 18.301 1.00 0.00 H ATOM 280 N ASN A1142 8.234 2.157 15.389 1.00 9.50 N ATOM 281 CA ASN A1142 9.059 1.593 14.315 1.00 8.78 C ATOM 282 C ASN A1142 8.440 0.359 13.646 1.00 8.87 C ATOM 283 O ASN A1142 7.639 -0.400 14.234 1.00 9.00 O ATOM 284 CB ASN A1142 10.484 1.330 14.833 1.00 9.35 C ATOM 285 CG ASN A1142 11.214 2.640 15.063 1.00 9.72 C ATOM 286 OD1 ASN A1142 11.299 3.453 14.141 1.00 10.19 O ATOM 287 ND2 ASN A1142 11.698 2.882 16.297 1.00 9.98 N ATOM 288 HD22 ASN A1142 11.602 2.164 17.043 1.00 0.00 H ATOM 289 HD21 ASN A1142 12.167 3.787 16.503 1.00 0.00 H ATOM 290 H ASN A1142 8.436 1.924 16.382 1.00 0.00 H ATOM 291 N TRP A1143 8.859 0.162 12.417 1.00 8.37 N ATOM 292 CA TRP A1143 8.493 -0.956 11.579 1.00 8.28 C ATOM 293 C TRP A1143 9.772 -1.534 10.992 1.00 8.03 C ATOM 294 O TRP A1143 10.768 -0.813 10.846 1.00 8.39 O ATOM 295 CB TRP A1143 7.613 -0.489 10.408 1.00 8.35 C ATOM 296 CG TRP A1143 6.330 0.121 10.791 1.00 8.43 C ATOM 297 CD1 TRP A1143 6.140 1.351 11.379 1.00 9.09 C ATOM 298 CD2 TRP A1143 5.020 -0.446 10.635 1.00 8.62 C ATOM 299 NE1 TRP A1143 4.803 1.558 11.601 1.00 9.68 N ATOM 300 CE2 TRP A1143 4.090 0.478 11.145 1.00 9.68 C ATOM 301 CE3 TRP A1143 4.550 -1.660 10.141 1.00 8.78 C ATOM 302 CZ2 TRP A1143 2.713 0.234 11.120 1.00 9.86 C ATOM 303 CZ3 TRP A1143 3.191 -1.893 10.113 1.00 9.47 C ATOM 304 CH2 TRP A1143 2.293 -0.959 10.591 1.00 10.25 C ATOM 305 HE1 TRP A1143 4.392 2.403 12.046 1.00 0.00 H ATOM 306 H TRP A1143 9.507 0.869 12.014 1.00 0.00 H ATOM 307 N VAL A1144 9.706 -2.830 10.643 1.00 7.82 N ATOM 308 CA VAL A1144 10.818 -3.477 9.938 1.00 7.96 C ATOM 309 C VAL A1144 10.328 -3.863 8.564 1.00 7.57 C ATOM 310 O VAL A1144 9.206 -4.387 8.390 1.00 8.00 O ATOM 311 CB VAL A1144 11.371 -4.705 10.719 1.00 8.30 C ATOM 312 CG1 VAL A1144 10.324 -5.799 10.988 1.00 9.02 C ATOM 313 CG2 VAL A1144 12.635 -5.252 10.034 1.00 8.98 C ATOM 314 H VAL A1144 8.856 -3.382 10.876 1.00 0.00 H ATOM 315 N CYS A1145 11.160 -3.612 7.577 1.00 7.40 N ATOM 316 CA CYS A1145 10.801 -3.952 6.211 1.00 8.14 C ATOM 317 C CYS A1145 11.002 -5.443 5.975 1.00 8.53 C ATOM 318 O CYS A1145 12.046 -5.992 6.240 1.00 8.27 O ATOM 319 CB CYS A1145 11.649 -3.153 5.243 1.00 8.83 C ATOM 320 SG CYS A1145 11.311 -3.543 3.508 1.00 8.78 S ATOM 321 H CYS A1145 12.079 -3.168 7.775 1.00 0.00 H ATOM 322 N LEU A1146 9.990 -6.102 5.440 1.00 7.98 N ATOM 323 CA LEU A1146 10.030 -7.538 5.253 1.00 8.55 C ATOM 324 C LEU A1146 10.724 -7.938 3.959 1.00 8.92 C ATOM 325 O LEU A1146 10.797 -9.142 3.697 1.00 9.24 O ATOM 326 CB LEU A1146 8.640 -8.108 5.337 1.00 9.07 C ATOM 327 CG LEU A1146 7.974 -7.961 6.705 1.00 9.49 C ATOM 328 CD1 LEU A1146 6.600 -8.632 6.723 1.00 10.45 C ATOM 329 CD2 LEU A1146 8.829 -8.519 7.818 1.00 10.12 C ATOM 330 H LEU A1146 9.142 -5.576 5.145 1.00 0.00 H ATOM 331 N SER A1147 11.271 -6.980 3.217 1.00 8.53 N ATOM 332 CA SER A1147 12.178 -7.286 2.095 1.00 8.75 C ATOM 333 C SER A1147 13.618 -7.198 2.550 1.00 9.69 C ATOM 334 O SER A1147 14.337 -8.184 2.419 1.00 10.12 O ATOM 335 CB SER A1147 11.853 -6.423 0.895 1.00 8.81 C ATOM 336 OG SER A1147 10.543 -6.723 0.383 1.00 8.49 O ATOM 337 HG SER A1147 9.868 -6.555 1.088 1.00 0.00 H ATOM 338 H SER A1147 11.053 -5.986 3.434 1.00 0.00 H ATOM 339 N CYS A1148 14.023 -6.053 3.097 1.00 9.33 N ATOM 340 CA CYS A1148 15.437 -5.756 3.377 1.00 9.48 C ATOM 341 C CYS A1148 15.785 -5.627 4.857 1.00 9.72 C ATOM 342 O CYS A1148 16.962 -5.480 5.209 1.00 11.04 O ATOM 343 CB CYS A1148 15.855 -4.556 2.595 1.00 10.84 C ATOM 344 SG CYS A1148 15.254 -2.964 3.284 1.00 11.90 S ATOM 345 H CYS A1148 13.308 -5.337 3.337 1.00 0.00 H ATOM 346 N TYR A1149 14.780 -5.720 5.733 1.00 8.97 N ATOM 347 CA TYR A1149 14.983 -5.760 7.180 1.00 8.96 C ATOM 348 C TYR A1149 15.622 -4.533 7.816 1.00 9.17 C ATOM 349 O TYR A1149 16.098 -4.560 8.965 1.00 10.12 O ATOM 350 CB TYR A1149 15.600 -7.106 7.593 1.00 9.70 C ATOM 351 CG TYR A1149 14.624 -8.209 7.322 1.00 9.24 C ATOM 352 CD1 TYR A1149 13.734 -8.618 8.312 1.00 10.18 C ATOM 353 CD2 TYR A1149 14.566 -8.843 6.097 1.00 9.88 C ATOM 354 CE1 TYR A1149 12.798 -9.593 8.085 1.00 9.97 C ATOM 355 CE2 TYR A1149 13.625 -9.837 5.861 1.00 9.94 C ATOM 356 CZ TYR A1149 12.743 -10.216 6.867 1.00 10.35 C ATOM 357 OH TYR A1149 11.776 -11.156 6.676 1.00 11.66 O ATOM 358 HH TYR A1149 12.198 -12.015 6.422 1.00 0.00 H ATOM 359 H TYR A1149 13.807 -5.766 5.368 1.00 0.00 H ATOM 360 N GLN A1150 15.556 -3.403 7.093 1.00 8.88 N ATOM 361 CA GLN A1150 15.790 -2.071 7.672 1.00 9.57 C ATOM 362 C GLN A1150 14.625 -1.677 8.540 1.00 8.68 C ATOM 363 O GLN A1150 13.484 -2.063 8.271 1.00 9.42 O ATOM 364 CB GLN A1150 16.104 -1.055 6.612 1.00 9.71 C ATOM 365 CG GLN A1150 17.432 -1.407 5.957 1.00 11.19 C ATOM 366 CD GLN A1150 17.777 -0.586 4.740 1.00 13.10 C ATOM 367 OE1 GLN A1150 17.245 0.479 4.491 1.00 17.44 O ATOM 368 NE2 GLN A1150 18.671 -1.178 3.891 1.00 16.43 N ATOM 369 HE22 GLN A1150 19.103 -2.090 4.144 1.00 0.00 H ATOM 370 HE21 GLN A1150 18.919 -0.716 2.993 1.00 0.00 H ATOM 371 H GLN A1150 15.330 -3.473 6.080 1.00 0.00 H ATOM 372 N VAL A1151 14.906 -0.837 9.544 1.00 8.19 N ATOM 373 CA VAL A1151 13.893 -0.396 10.510 1.00 8.43 C ATOM 374 C VAL A1151 13.722 1.104 10.396 1.00 8.88 C ATOM 375 O VAL A1151 14.699 1.836 10.466 1.00 10.14 O ATOM 376 CB VAL A1151 14.331 -0.802 11.953 1.00 8.39 C ATOM 377 CG1 VAL A1151 13.409 -0.209 13.036 1.00 8.74 C ATOM 378 CG2 VAL A1151 14.421 -2.313 12.069 1.00 9.18 C ATOM 379 H VAL A1151 15.879 -0.484 9.643 1.00 0.00 H ATOM 380 N TYR A1152 12.467 1.550 10.282 1.00 8.33 N ATOM 381 CA TYR A1152 12.139 2.956 10.092 1.00 8.01 C ATOM 382 C TYR A1152 10.794 3.294 10.770 1.00 7.97 C ATOM 383 O TYR A1152 9.933 2.410 10.915 1.00 7.82 O ATOM 384 CB TYR A1152 12.072 3.373 8.586 1.00 8.44 C ATOM 385 CG TYR A1152 13.371 3.218 7.833 1.00 8.82 C ATOM 386 CD1 TYR A1152 14.438 4.061 8.100 1.00 9.79 C ATOM 387 CD2 TYR A1152 13.495 2.299 6.846 1.00 9.93 C ATOM 388 CE1 TYR A1152 15.641 3.946 7.436 1.00 10.22 C ATOM 389 CE2 TYR A1152 14.718 2.155 6.162 1.00 9.55 C ATOM 390 CZ TYR A1152 15.769 2.981 6.476 1.00 11.37 C ATOM 391 OH TYR A1152 16.980 2.825 5.796 1.00 13.76 O ATOM 392 HH TYR A1152 17.328 1.911 5.949 1.00 0.00 H ATOM 393 H TYR A1152 11.689 0.861 10.331 1.00 0.00 H ATOM 394 N CYS A1153 10.616 4.553 11.128 1.00 8.33 N ATOM 395 CA CYS A1153 9.458 4.947 11.908 1.00 8.36 C ATOM 396 C CYS A1153 8.164 5.125 11.088 1.00 8.80 C ATOM 397 O CYS A1153 8.161 5.369 9.869 1.00 8.49 O ATOM 398 CB CYS A1153 9.772 6.208 12.704 1.00 9.05 C ATOM 399 SG CYS A1153 10.063 7.712 11.728 1.00 9.23 S ATOM 400 H CYS A1153 11.315 5.271 10.847 1.00 0.00 H ATOM 401 N GLY A1154 7.067 5.003 11.835 1.00 9.11 N ATOM 402 CA GLY A1154 5.727 5.145 11.309 1.00 9.77 C ATOM 403 C GLY A1154 5.307 6.545 10.930 1.00 10.58 C ATOM 404 O GLY A1154 5.936 7.537 11.283 1.00 10.76 O ATOM 405 H GLY A1154 7.180 4.795 12.848 1.00 0.00 H ATOM 406 N ARG A1155 4.138 6.589 10.288 1.00 11.33 N ATOM 407 CA ARG A1155 3.603 7.846 9.756 1.00 12.27 C ATOM 408 C ARG A1155 3.326 8.897 10.826 1.00 11.91 C ATOM 409 O ARG A1155 3.417 10.111 10.520 1.00 12.79 O ATOM 410 CB ARG A1155 2.332 7.528 8.927 1.00 14.66 C ATOM 411 CG ARG A1155 1.117 7.026 9.723 1.00 17.25 C ATOM 412 CD ARG A1155 0.175 6.036 8.941 1.00 20.29 C ATOM 413 NE ARG A1155 -0.842 5.343 9.783 1.00 23.16 N ATOM 414 CZ ARG A1155 -0.579 4.427 10.753 1.00 26.61 C ATOM 415 NH1 ARG A1155 -1.586 3.864 11.431 1.00 27.57 N ATOM 416 NH2 ARG A1155 0.692 4.075 11.100 1.00 30.12 N ATOM 417 HE ARG A1155 -1.840 5.581 9.614 1.00 0.00 H ATOM 418 HH12 ARG A1155 -1.386 3.163 12.173 1.00 0.00 H ATOM 419 HH11 ARG A1155 -2.569 4.127 11.216 1.00 0.00 H ATOM 420 HH22 ARG A1155 0.850 3.370 11.848 1.00 0.00 H ATOM 421 HH21 ARG A1155 1.503 4.512 10.617 1.00 0.00 H ATOM 422 H ARG A1155 3.594 5.712 10.162 1.00 0.00 H ATOM 423 N TYR A1156 3.030 8.466 12.057 1.00 11.69 N ATOM 424 CA TYR A1156 2.704 9.411 13.142 1.00 12.00 C ATOM 425 C TYR A1156 3.915 9.980 13.839 1.00 12.31 C ATOM 426 O TYR A1156 3.753 10.962 14.608 1.00 12.57 O ATOM 427 CB TYR A1156 1.687 8.823 14.123 1.00 11.77 C ATOM 428 CG TYR A1156 0.335 8.546 13.504 1.00 12.49 C ATOM 429 CD1 TYR A1156 -0.341 9.545 12.815 1.00 13.42 C ATOM 430 CD2 TYR A1156 -0.240 7.280 13.551 1.00 13.20 C ATOM 431 CE1 TYR A1156 -1.587 9.311 12.230 1.00 13.59 C ATOM 432 CE2 TYR A1156 -1.483 7.054 12.993 1.00 13.28 C ATOM 433 CZ TYR A1156 -2.145 8.077 12.309 1.00 14.59 C ATOM 434 OH TYR A1156 -3.389 7.853 11.705 1.00 16.80 O ATOM 435 HH TYR A1156 -3.699 8.687 11.272 1.00 0.00 H ATOM 436 H TYR A1156 3.030 7.445 12.253 1.00 0.00 H ATOM 437 N ILE A1157 5.121 9.477 13.544 1.00 11.17 N ATOM 438 CA ILE A1157 6.385 10.054 13.998 1.00 11.63 C ATOM 439 C ILE A1157 6.963 10.873 12.826 1.00 11.21 C ATOM 440 O ILE A1157 6.473 12.003 12.550 1.00 12.90 O ATOM 441 CB ILE A1157 7.344 8.996 14.611 1.00 11.95 C ATOM 442 CG1 ILE A1157 6.571 8.141 15.631 1.00 12.56 C ATOM 443 CG2 ILE A1157 8.568 9.691 15.232 1.00 12.56 C ATOM 444 CD1 ILE A1157 5.982 8.938 16.787 1.00 13.63 C ATOM 445 H ILE A1157 5.161 8.621 12.954 1.00 0.00 H ATOM 446 N ASN A1158 7.944 10.349 12.104 1.00 10.82 N ATOM 447 CA ASN A1158 8.525 11.092 11.006 1.00 11.19 C ATOM 448 C ASN A1158 8.344 10.455 9.639 1.00 11.26 C ATOM 449 O ASN A1158 8.873 10.973 8.655 1.00 12.36 O ATOM 450 CB ASN A1158 9.991 11.420 11.294 1.00 12.34 C ATOM 451 CG ASN A1158 10.142 12.340 12.489 1.00 12.94 C ATOM 452 OD1 ASN A1158 9.427 13.334 12.530 1.00 14.41 O ATOM 453 ND2 ASN A1158 11.013 12.020 13.457 1.00 12.11 N ATOM 454 HD22 ASN A1158 11.596 11.163 13.370 1.00 0.00 H ATOM 455 HD21 ASN A1158 11.106 12.629 14.295 1.00 0.00 H ATOM 456 H ASN A1158 8.299 9.397 12.328 1.00 0.00 H ATOM 457 N GLY A1159 7.598 9.364 9.583 1.00 9.67 N ATOM 458 CA GLY A1159 7.229 8.799 8.278 1.00 9.55 C ATOM 459 C GLY A1159 8.349 8.201 7.467 1.00 10.12 C ATOM 460 O GLY A1159 8.306 8.149 6.244 1.00 10.90 O ATOM 461 H GLY A1159 7.274 8.908 10.460 1.00 0.00 H ATOM 462 N HIS A1160 9.429 7.786 8.105 1.00 9.71 N ATOM 463 CA HIS A1160 10.563 7.195 7.399 1.00 9.52 C ATOM 464 C HIS A1160 10.306 5.862 6.741 1.00 9.75 C ATOM 465 O HIS A1160 10.905 5.601 5.715 1.00 10.31 O ATOM 466 CB HIS A1160 11.818 7.200 8.284 1.00 9.85 C ATOM 467 CG HIS A1160 12.271 8.591 8.555 1.00 10.41 C ATOM 468 ND1 HIS A1160 12.486 9.129 9.822 1.00 11.15 N ATOM 469 CD2 HIS A1160 12.542 9.575 7.666 1.00 11.89 C ATOM 470 CE1 HIS A1160 12.861 10.394 9.669 1.00 11.36 C ATOM 471 NE2 HIS A1160 12.862 10.702 8.379 1.00 11.55 N ATOM 472 H HIS A1160 9.473 7.883 9.140 1.00 0.00 H ATOM 473 N MET A1161 9.425 5.026 7.309 1.00 8.71 N ATOM 474 CA MET A1161 9.095 3.793 6.576 1.00 8.27 C ATOM 475 C MET A1161 8.298 4.074 5.298 1.00 8.54 C ATOM 476 O MET A1161 8.559 3.435 4.278 1.00 8.76 O ATOM 477 CB MET A1161 8.390 2.740 7.452 1.00 8.13 C ATOM 478 CG MET A1161 8.298 1.377 6.737 1.00 7.65 C ATOM 479 SD MET A1161 9.929 0.698 6.293 1.00 8.16 S ATOM 480 CE MET A1161 10.316 -0.177 7.797 1.00 8.22 C ATOM 481 H MET A1161 8.992 5.240 8.230 1.00 0.00 H ATOM 482 N LEU A1162 7.385 5.034 5.341 1.00 9.16 N ATOM 483 CA LEU A1162 6.701 5.477 4.128 1.00 10.55 C ATOM 484 C LEU A1162 7.732 5.985 3.096 1.00 10.74 C ATOM 485 O LEU A1162 7.627 5.657 1.896 1.00 11.76 O ATOM 486 CB LEU A1162 5.678 6.566 4.446 1.00 12.65 C ATOM 487 CG LEU A1162 4.879 7.058 3.242 1.00 16.66 C ATOM 488 CD1 LEU A1162 4.120 5.920 2.577 1.00 17.96 C ATOM 489 CD2 LEU A1162 3.942 8.142 3.733 1.00 18.41 C ATOM 490 H LEU A1162 7.152 5.479 6.252 1.00 0.00 H ATOM 491 N GLN A1163 8.726 6.747 3.544 1.00 10.60 N ATOM 492 CA GLN A1163 9.785 7.223 2.650 1.00 10.61 C ATOM 493 C GLN A1163 10.561 6.055 2.045 1.00 10.11 C ATOM 494 O GLN A1163 10.824 6.038 0.834 1.00 10.16 O ATOM 495 CB GLN A1163 10.721 8.183 3.394 1.00 13.06 C ATOM 496 CG GLN A1163 11.771 8.823 2.517 1.00 15.49 C ATOM 497 CD GLN A1163 12.634 9.833 3.272 1.00 19.64 C ATOM 498 OE1 GLN A1163 12.298 10.229 4.374 1.00 22.97 O ATOM 499 NE2 GLN A1163 13.776 10.254 2.653 1.00 24.00 N ATOM 500 HE22 GLN A1163 14.022 9.888 1.711 1.00 0.00 H ATOM 501 HE21 GLN A1163 14.400 10.941 3.123 1.00 0.00 H ATOM 502 H GLN A1163 8.752 7.010 4.550 1.00 0.00 H ATOM 503 N HIS A1164 10.909 5.056 2.877 1.00 9.32 N ATOM 504 CA HIS A1164 11.608 3.889 2.442 1.00 9.16 C ATOM 505 C HIS A1164 10.799 3.146 1.379 1.00 9.30 C ATOM 506 O HIS A1164 11.345 2.710 0.371 1.00 9.33 O ATOM 507 CB HIS A1164 11.928 2.967 3.607 1.00 9.34 C ATOM 508 CG HIS A1164 12.543 1.661 3.190 1.00 8.94 C ATOM 509 ND1 HIS A1164 13.812 1.594 2.630 1.00 10.42 N ATOM 510 CD2 HIS A1164 12.081 0.384 3.212 1.00 9.40 C ATOM 511 CE1 HIS A1164 14.111 0.321 2.382 1.00 9.91 C ATOM 512 NE2 HIS A1164 13.065 -0.435 2.678 1.00 9.91 N ATOM 513 H HIS A1164 10.657 5.138 3.883 1.00 0.00 H ATOM 514 N HIS A1165 9.515 2.973 1.621 1.00 9.02 N ATOM 515 CA HIS A1165 8.661 2.368 0.590 1.00 8.63 C ATOM 516 C HIS A1165 8.764 3.156 -0.727 1.00 9.09 C ATOM 517 O HIS A1165 8.877 2.562 -1.801 1.00 9.47 O ATOM 518 CB HIS A1165 7.204 2.332 1.022 1.00 9.32 C ATOM 519 CG HIS A1165 6.262 2.066 -0.103 1.00 9.16 C ATOM 520 ND1 HIS A1165 6.186 0.840 -0.724 1.00 9.29 N ATOM 521 CD2 HIS A1165 5.435 2.897 -0.788 1.00 9.29 C ATOM 522 CE1 HIS A1165 5.329 0.921 -1.736 1.00 9.86 C ATOM 523 NE2 HIS A1165 4.854 2.156 -1.802 1.00 10.70 N ATOM 524 H HIS A1165 9.110 3.262 2.534 1.00 0.00 H ATOM 525 N GLY A1166 8.723 4.457 -0.635 1.00 9.85 N ATOM 526 CA GLY A1166 8.713 5.283 -1.837 1.00 10.04 C ATOM 527 C GLY A1166 10.010 5.147 -2.588 1.00 9.69 C ATOM 528 O GLY A1166 10.004 5.178 -3.839 1.00 10.55 O ATOM 529 H GLY A1166 8.697 4.908 0.302 1.00 0.00 H ATOM 530 N ASN A1167 11.137 5.044 -1.904 1.00 10.87 N ATOM 531 CA ASN A1167 12.393 5.030 -2.607 1.00 12.03 C ATOM 532 C ASN A1167 12.984 3.665 -2.897 1.00 11.14 C ATOM 533 O ASN A1167 13.960 3.567 -3.660 1.00 12.11 O ATOM 534 CB ASN A1167 13.402 6.007 -1.976 1.00 13.34 C ATOM 535 CG ASN A1167 13.854 5.581 -0.607 1.00 14.89 C ATOM 536 OD1 ASN A1167 14.074 4.390 -0.399 1.00 17.48 O ATOM 537 ND2 ASN A1167 14.067 6.561 0.321 1.00 15.85 N ATOM 538 HD22 ASN A1167 13.862 7.553 0.086 1.00 0.00 H ATOM 539 HD21 ASN A1167 14.434 6.315 1.262 1.00 0.00 H ATOM 540 H ASN A1167 11.116 4.974 -0.867 1.00 0.00 H ATOM 541 N SER A1168 12.356 2.623 -2.355 1.00 9.49 N ATOM 542 CA SER A1168 12.726 1.248 -2.613 1.00 9.31 C ATOM 543 C SER A1168 11.715 0.434 -3.388 1.00 9.19 C ATOM 544 O SER A1168 12.103 -0.558 -4.017 1.00 10.32 O ATOM 545 CB SER A1168 13.081 0.497 -1.293 1.00 9.65 C ATOM 546 OG SER A1168 11.873 0.209 -0.579 1.00 9.66 O ATOM 547 HG SER A1168 11.407 1.056 -0.366 1.00 0.00 H ATOM 548 H SER A1168 11.559 2.807 -1.713 1.00 0.00 H ATOM 549 N GLY A1169 10.441 0.767 -3.238 1.00 9.25 N ATOM 550 CA GLY A1169 9.327 -0.017 -3.726 1.00 9.47 C ATOM 551 C GLY A1169 9.009 -1.225 -2.859 1.00 9.78 C ATOM 552 O GLY A1169 8.101 -1.978 -3.198 1.00 10.30 O ATOM 553 H GLY A1169 10.227 1.652 -2.735 1.00 0.00 H ATOM 554 N HIS A1170 9.681 -1.398 -1.721 1.00 8.77 N ATOM 555 CA HIS A1170 9.394 -2.566 -0.903 1.00 8.28 C ATOM 556 C HIS A1170 7.994 -2.476 -0.310 1.00 7.95 C ATOM 557 O HIS A1170 7.584 -1.442 0.172 1.00 9.03 O ATOM 558 CB HIS A1170 10.456 -2.762 0.200 1.00 8.56 C ATOM 559 CG HIS A1170 11.826 -3.024 -0.322 1.00 8.30 C ATOM 560 ND1 HIS A1170 12.961 -2.907 0.456 1.00 8.47 N ATOM 561 CD2 HIS A1170 12.251 -3.370 -1.570 1.00 8.56 C ATOM 562 CE1 HIS A1170 14.018 -3.186 -0.287 1.00 8.53 C ATOM 563 NE2 HIS A1170 13.624 -3.472 -1.517 1.00 9.38 N ATOM 564 H HIS A1170 10.400 -0.708 -1.422 1.00 0.00 H ATOM 565 N PRO A1171 7.237 -3.572 -0.413 1.00 7.78 N ATOM 566 CA PRO A1171 5.809 -3.502 -0.166 1.00 7.52 C ATOM 567 C PRO A1171 5.311 -3.625 1.278 1.00 7.33 C ATOM 568 O PRO A1171 4.384 -2.901 1.686 1.00 7.41 O ATOM 569 CB PRO A1171 5.266 -4.713 -0.948 1.00 7.98 C ATOM 570 CG PRO A1171 6.384 -5.690 -0.968 1.00 8.21 C ATOM 571 CD PRO A1171 7.594 -4.831 -1.109 1.00 8.06 C ATOM 572 N LEU A1172 5.894 -4.565 2.014 1.00 7.16 N ATOM 573 CA LEU A1172 5.312 -5.084 3.260 1.00 7.13 C ATOM 574 C LEU A1172 6.216 -4.838 4.431 1.00 7.10 C ATOM 575 O LEU A1172 7.453 -5.078 4.369 1.00 7.43 O ATOM 576 CB LEU A1172 5.065 -6.604 3.145 1.00 7.58 C ATOM 577 CG LEU A1172 3.760 -6.973 2.471 1.00 8.17 C ATOM 578 CD1 LEU A1172 3.887 -8.263 1.672 1.00 9.04 C ATOM 579 CD2 LEU A1172 2.618 -6.982 3.472 1.00 8.54 C ATOM 580 H LEU A1172 6.805 -4.952 1.694 1.00 0.00 H ATOM 581 N VAL A1173 5.641 -4.285 5.501 1.00 6.93 N ATOM 582 CA VAL A1173 6.361 -3.874 6.709 1.00 7.52 C ATOM 583 C VAL A1173 5.647 -4.391 7.936 1.00 7.75 C ATOM 584 O VAL A1173 4.443 -4.500 7.937 1.00 8.11 O ATOM 585 CB VAL A1173 6.593 -2.339 6.738 1.00 8.04 C ATOM 586 CG1 VAL A1173 7.428 -1.898 5.555 1.00 8.24 C ATOM 587 CG2 VAL A1173 5.279 -1.549 6.728 1.00 8.36 C ATOM 588 H VAL A1173 4.612 -4.136 5.476 1.00 0.00 H ATOM 589 N LEU A1174 6.414 -4.746 8.965 1.00 7.84 N ATOM 590 CA LEU A1174 5.917 -5.337 10.197 1.00 8.41 C ATOM 591 C LEU A1174 6.100 -4.332 11.354 1.00 7.98 C ATOM 592 O LEU A1174 7.184 -3.789 11.586 1.00 7.97 O ATOM 593 CB LEU A1174 6.659 -6.643 10.489 1.00 9.64 C ATOM 594 CG LEU A1174 6.381 -7.352 11.806 1.00 11.15 C ATOM 595 CD1 LEU A1174 4.991 -7.893 11.801 1.00 13.06 C ATOM 596 CD2 LEU A1174 7.354 -8.490 12.069 1.00 13.60 C ATOM 597 H LEU A1174 7.439 -4.590 8.882 1.00 0.00 H ATOM 598 N SER A1175 5.006 -4.128 12.105 1.00 8.01 N ATOM 599 CA SER A1175 5.013 -3.199 13.219 1.00 8.37 C ATOM 600 C SER A1175 5.659 -3.804 14.450 1.00 9.08 C ATOM 601 O SER A1175 5.265 -4.876 14.916 1.00 9.32 O ATOM 602 CB SER A1175 3.559 -2.880 13.586 1.00 8.47 C ATOM 603 OG SER A1175 3.568 -2.047 14.778 1.00 9.22 O ATOM 604 HG SER A1175 4.065 -1.211 14.591 1.00 0.00 H ATOM 605 H SER A1175 4.133 -4.648 11.883 1.00 0.00 H ATOM 606 N TYR A1176 6.617 -3.091 15.032 1.00 9.54 N ATOM 607 CA TYR A1176 7.159 -3.450 16.338 1.00 9.61 C ATOM 608 C TYR A1176 6.268 -3.061 17.526 1.00 11.02 C ATOM 609 O TYR A1176 6.613 -3.369 18.665 1.00 12.12 O ATOM 610 CB TYR A1176 8.555 -2.877 16.438 1.00 9.31 C ATOM 611 CG TYR A1176 9.628 -3.647 15.647 1.00 9.18 C ATOM 612 CD1 TYR A1176 9.438 -4.954 15.197 1.00 9.59 C ATOM 613 CD2 TYR A1176 10.854 -3.034 15.357 1.00 9.95 C ATOM 614 CE1 TYR A1176 10.468 -5.647 14.570 1.00 9.57 C ATOM 615 CE2 TYR A1176 11.864 -3.705 14.728 1.00 9.84 C ATOM 616 CZ TYR A1176 11.654 -5.020 14.330 1.00 10.09 C ATOM 617 OH TYR A1176 12.635 -5.769 13.719 1.00 11.00 O ATOM 618 HH TYR A1176 13.415 -5.845 14.324 1.00 0.00 H ATOM 619 H TYR A1176 6.991 -2.253 14.543 1.00 0.00 H ATOM 620 N ILE A1177 5.106 -2.461 17.275 1.00 9.91 N ATOM 621 CA ILE A1177 4.103 -2.199 18.322 1.00 11.68 C ATOM 622 C ILE A1177 3.177 -3.408 18.470 1.00 12.52 C ATOM 623 O ILE A1177 3.038 -3.956 19.569 1.00 13.49 O ATOM 624 CB ILE A1177 3.317 -0.920 18.040 1.00 13.22 C ATOM 625 CG1 ILE A1177 4.266 0.263 18.218 1.00 15.74 C ATOM 626 CG2 ILE A1177 2.143 -0.782 18.991 1.00 12.98 C ATOM 627 CD1 ILE A1177 3.673 1.590 17.985 1.00 17.54 C ATOM 628 H ILE A1177 4.898 -2.165 16.300 1.00 0.00 H ATOM 629 N ASP A1178 2.558 -3.836 17.383 1.00 11.30 N ATOM 630 CA ASP A1178 1.486 -4.852 17.464 1.00 11.28 C ATOM 631 C ASP A1178 1.661 -6.053 16.544 1.00 11.31 C ATOM 632 O ASP A1178 0.793 -6.919 16.517 1.00 12.27 O ATOM 633 CB ASP A1178 0.096 -4.214 17.264 1.00 12.32 C ATOM 634 CG ASP A1178 -0.168 -3.793 15.838 1.00 12.95 C ATOM 635 OD1 ASP A1178 0.731 -3.874 14.973 1.00 12.30 O ATOM 636 OD2 ASP A1178 -1.330 -3.398 15.581 1.00 17.84 O ATOM 637 H ASP A1178 2.829 -3.452 16.455 1.00 0.00 H ATOM 638 N LEU A1179 2.787 -6.112 15.816 1.00 10.38 N ATOM 639 CA LEU A1179 3.154 -7.267 14.978 1.00 11.11 C ATOM 640 C LEU A1179 2.170 -7.433 13.820 1.00 11.64 C ATOM 641 O LEU A1179 2.103 -8.511 13.228 1.00 12.13 O ATOM 642 CB LEU A1179 3.251 -8.580 15.822 1.00 11.72 C ATOM 643 CG LEU A1179 4.123 -8.471 17.078 1.00 12.90 C ATOM 644 CD1 LEU A1179 4.233 -9.829 17.757 1.00 14.26 C ATOM 645 CD2 LEU A1179 5.487 -7.901 16.784 1.00 13.19 C ATOM 646 H LEU A1179 3.435 -5.299 15.845 1.00 0.00 H ATOM 647 N SER A1180 1.472 -6.373 13.445 1.00 11.03 N ATOM 648 CA SER A1180 0.682 -6.363 12.217 1.00 11.19 C ATOM 649 C SER A1180 1.607 -6.068 11.035 1.00 10.60 C ATOM 650 O SER A1180 2.664 -5.468 11.178 1.00 11.33 O ATOM 651 CB SER A1180 -0.424 -5.370 12.273 1.00 12.27 C ATOM 652 OG SER A1180 0.050 -4.067 12.361 1.00 14.14 O ATOM 653 HG SER A1180 0.595 -3.970 13.182 1.00 0.00 H ATOM 654 H SER A1180 1.487 -5.522 14.043 1.00 0.00 H ATOM 655 N ALA A1181 1.208 -6.554 9.869 1.00 9.59 N ATOM 656 CA ALA A1181 1.946 -6.352 8.625 1.00 9.34 C ATOM 657 C ALA A1181 1.086 -5.518 7.676 1.00 8.99 C ATOM 658 O ALA A1181 -0.085 -5.824 7.411 1.00 9.28 O ATOM 659 CB ALA A1181 2.293 -7.669 7.991 1.00 9.43 C ATOM 660 H ALA A1181 0.327 -7.106 9.838 1.00 0.00 H ATOM 661 N TRP A1182 1.641 -4.412 7.193 1.00 7.43 N ATOM 662 CA TRP A1182 1.009 -3.487 6.283 1.00 7.92 C ATOM 663 C TRP A1182 1.640 -3.534 4.935 1.00 7.46 C ATOM 664 O TRP A1182 2.869 -3.563 4.807 1.00 7.87 O ATOM 665 CB TRP A1182 1.159 -2.020 6.827 1.00 8.60 C ATOM 666 CG TRP A1182 0.572 -0.924 5.986 1.00 9.22 C ATOM 667 CD1 TRP A1182 1.233 -0.090 5.118 1.00 9.85 C ATOM 668 CD2 TRP A1182 -0.817 -0.567 5.905 1.00 9.62 C ATOM 669 NE1 TRP A1182 0.359 0.758 4.525 1.00 10.68 N ATOM 670 CE2 TRP A1182 -0.906 0.508 4.993 1.00 9.88 C ATOM 671 CE3 TRP A1182 -1.984 -1.031 6.525 1.00 9.93 C ATOM 672 CZ2 TRP A1182 -2.135 1.152 4.701 1.00 10.52 C ATOM 673 CZ3 TRP A1182 -3.196 -0.411 6.196 1.00 10.52 C ATOM 674 CH2 TRP A1182 -3.251 0.663 5.286 1.00 10.91 C ATOM 675 HE1 TRP A1182 0.608 1.485 3.824 1.00 0.00 H ATOM 676 H TRP A1182 2.612 -4.194 7.496 1.00 0.00 H ATOM 677 N CYS A1183 0.798 -3.607 3.901 1.00 7.50 N ATOM 678 CA CYS A1183 1.242 -3.469 2.526 1.00 7.64 C ATOM 679 C CYS A1183 0.946 -2.062 2.017 1.00 7.70 C ATOM 680 O CYS A1183 -0.220 -1.658 1.950 1.00 7.75 O ATOM 681 CB CYS A1183 0.544 -4.481 1.627 1.00 7.93 C ATOM 682 SG CYS A1183 1.139 -4.342 -0.088 1.00 7.45 S ATOM 683 H CYS A1183 -0.212 -3.769 4.088 1.00 0.00 H ATOM 684 N TYR A1184 1.950 -1.347 1.611 1.00 7.80 N ATOM 685 CA TYR A1184 1.766 0.008 1.128 1.00 8.61 C ATOM 686 C TYR A1184 1.057 0.069 -0.220 1.00 9.42 C ATOM 687 O TYR A1184 0.453 1.105 -0.535 1.00 11.65 O ATOM 688 CB TYR A1184 3.105 0.726 1.018 1.00 8.70 C ATOM 689 CG TYR A1184 3.708 1.121 2.349 1.00 8.42 C ATOM 690 CD1 TYR A1184 3.234 2.236 3.062 1.00 9.75 C ATOM 691 CD2 TYR A1184 4.775 0.421 2.899 1.00 8.90 C ATOM 692 CE1 TYR A1184 3.784 2.597 4.286 1.00 9.08 C ATOM 693 CE2 TYR A1184 5.312 0.755 4.111 1.00 8.76 C ATOM 694 CZ TYR A1184 4.844 1.849 4.798 1.00 9.81 C ATOM 695 OH TYR A1184 5.418 2.178 5.986 1.00 9.80 O ATOM 696 HH TYR A1184 4.974 2.983 6.354 1.00 0.00 H ATOM 697 H TYR A1184 2.907 -1.754 1.632 1.00 0.00 H ATOM 698 N TYR A1185 1.166 -0.959 -1.046 1.00 8.43 N ATOM 699 CA TYR A1185 0.545 -0.964 -2.329 1.00 8.86 C ATOM 700 C TYR A1185 -0.941 -1.241 -2.193 1.00 8.95 C ATOM 701 O TYR A1185 -1.795 -0.555 -2.786 1.00 10.24 O ATOM 702 CB TYR A1185 1.155 -2.034 -3.209 1.00 8.70 C ATOM 703 CG TYR A1185 2.567 -1.783 -3.688 1.00 9.37 C ATOM 704 CD1 TYR A1185 2.787 -1.006 -4.800 1.00 10.17 C ATOM 705 CD2 TYR A1185 3.644 -2.369 -3.072 1.00 9.10 C ATOM 706 CE1 TYR A1185 4.081 -0.810 -5.278 1.00 10.72 C ATOM 707 CE2 TYR A1185 4.911 -2.164 -3.522 1.00 9.15 C ATOM 708 CZ TYR A1185 5.118 -1.393 -4.635 1.00 9.88 C ATOM 709 OH TYR A1185 6.405 -1.237 -5.105 1.00 10.74 O ATOM 710 HH TYR A1185 6.963 -0.818 -4.403 1.00 0.00 H ATOM 711 H TYR A1185 1.721 -1.787 -0.750 1.00 0.00 H ATOM 712 N CYS A1186 -1.271 -2.320 -1.447 1.00 9.48 N ATOM 713 CA CYS A1186 -2.675 -2.715 -1.230 1.00 10.07 C ATOM 714 C CYS A1186 -3.375 -1.823 -0.230 1.00 10.96 C ATOM 715 O CYS A1186 -4.631 -1.856 -0.157 1.00 11.55 O ATOM 716 CB CYS A1186 -2.713 -4.163 -0.747 1.00 9.92 C ATOM 717 SG CYS A1186 -2.100 -5.375 -1.973 1.00 9.52 S ATOM 718 H CYS A1186 -0.514 -2.887 -1.015 1.00 0.00 H ATOM 719 N GLN A1187 -2.626 -1.045 0.535 1.00 11.03 N ATOM 720 CA GLN A1187 -3.189 -0.103 1.522 1.00 11.97 C ATOM 721 C GLN A1187 -4.058 -0.869 2.512 1.00 11.67 C ATOM 722 O GLN A1187 -5.210 -0.504 2.793 1.00 12.55 O ATOM 723 CB GLN A1187 -3.965 1.026 0.839 1.00 13.33 C ATOM 724 CG GLN A1187 -3.188 1.670 -0.290 1.00 14.73 C ATOM 725 CD GLN A1187 -3.838 2.947 -0.848 1.00 17.51 C ATOM 726 OE1 GLN A1187 -4.173 3.009 -2.030 1.00 21.34 O ATOM 727 NE2 GLN A1187 -4.019 3.949 0.000 1.00 18.08 N ATOM 728 HE22 GLN A1187 -3.720 3.852 0.991 1.00 0.00 H ATOM 729 HE21 GLN A1187 -4.460 4.833 -0.326 1.00 0.00 H ATOM 730 H GLN A1187 -1.592 -1.100 0.436 1.00 0.00 H ATOM 731 N ALA A1188 -3.484 -1.941 3.048 1.00 10.98 N ATOM 732 CA ALA A1188 -4.190 -2.836 3.939 1.00 10.47 C ATOM 733 C ALA A1188 -3.241 -3.643 4.792 1.00 9.91 C ATOM 734 O ALA A1188 -2.086 -3.877 4.380 1.00 9.26 O ATOM 735 CB ALA A1188 -5.047 -3.793 3.139 1.00 11.16 C ATOM 736 H ALA A1188 -2.490 -2.144 2.818 1.00 0.00 H ATOM 737 N TYR A1189 -3.755 -4.128 5.925 1.00 10.34 N ATOM 738 CA TYR A1189 -3.086 -5.144 6.676 1.00 10.35 C ATOM 739 C TYR A1189 -3.278 -6.494 6.055 1.00 9.96 C ATOM 740 O TYR A1189 -4.352 -6.778 5.445 1.00 10.07 O ATOM 741 CB TYR A1189 -3.565 -5.152 8.129 1.00 10.80 C ATOM 742 CG TYR A1189 -3.181 -3.913 8.862 1.00 12.87 C ATOM 743 CD1 TYR A1189 -1.876 -3.752 9.310 1.00 12.64 C ATOM 744 CD2 TYR A1189 -4.106 -2.911 9.093 1.00 15.47 C ATOM 745 CE1 TYR A1189 -1.506 -2.588 9.985 1.00 15.19 C ATOM 746 CE2 TYR A1189 -3.719 -1.737 9.740 1.00 16.68 C ATOM 747 CZ TYR A1189 -2.430 -1.615 10.166 1.00 17.17 C ATOM 748 OH TYR A1189 -2.052 -0.463 10.845 1.00 22.59 O ATOM 749 HH TYR A1189 -2.198 0.325 10.263 1.00 0.00 H ATOM 750 H TYR A1189 -4.664 -3.758 6.269 1.00 0.00 H ATOM 751 N VAL A1190 -2.240 -7.318 6.131 1.00 9.57 N ATOM 752 CA VAL A1190 -2.226 -8.651 5.496 1.00 9.42 C ATOM 753 C VAL A1190 -1.753 -9.668 6.525 1.00 10.55 C ATOM 754 O VAL A1190 -0.821 -9.390 7.312 1.00 9.76 O ATOM 755 CB VAL A1190 -1.286 -8.661 4.289 1.00 9.74 C ATOM 756 CG1 VAL A1190 -1.288 -10.023 3.634 1.00 10.17 C ATOM 757 CG2 VAL A1190 -1.590 -7.522 3.327 1.00 10.46 C ATOM 758 H VAL A1190 -1.400 -7.011 6.661 1.00 0.00 H ATOM 759 N HIS A1191 -2.358 -10.842 6.568 1.00 10.68 N ATOM 760 CA HIS A1191 -1.838 -11.927 7.358 1.00 11.11 C ATOM 761 C HIS A1191 -1.882 -13.197 6.551 1.00 11.14 C ATOM 762 O HIS A1191 -2.917 -13.438 5.903 1.00 11.90 O ATOM 763 CB HIS A1191 -2.569 -12.117 8.711 1.00 11.75 C ATOM 764 CG HIS A1191 -1.950 -13.221 9.496 1.00 12.43 C ATOM 765 ND1 HIS A1191 -0.744 -13.081 10.140 1.00 12.14 N ATOM 766 CD2 HIS A1191 -2.259 -14.528 9.587 1.00 12.98 C ATOM 767 CE1 HIS A1191 -0.318 -14.249 10.562 1.00 12.90 C ATOM 768 NE2 HIS A1191 -1.249 -15.147 10.271 1.00 13.68 N ATOM 769 H HIS A1191 -3.229 -10.985 6.019 1.00 0.00 H ATOM 770 N HIS A1192 -0.785 -13.944 6.543 1.00 11.28 N ATOM 771 CA HIS A1192 -0.695 -15.179 5.775 1.00 13.26 C ATOM 772 C HIS A1192 0.339 -16.045 6.400 1.00 15.63 C ATOM 773 O HIS A1192 1.181 -15.567 7.139 1.00 14.41 O ATOM 774 CB HIS A1192 -0.354 -14.784 4.330 1.00 12.33 C ATOM 775 CG HIS A1192 -0.297 -15.916 3.367 1.00 14.17 C ATOM 776 ND1 HIS A1192 0.850 -16.665 3.181 1.00 16.01 N ATOM 777 CD2 HIS A1192 -1.215 -16.380 2.489 1.00 16.29 C ATOM 778 CE1 HIS A1192 0.613 -17.577 2.249 1.00 17.50 C ATOM 779 NE2 HIS A1192 -0.621 -17.419 1.805 1.00 18.21 N ATOM 780 H HIS A1192 0.036 -13.638 7.103 1.00 0.00 H ATOM 781 N GLN A1193 0.364 -17.340 6.084 1.00 18.37 N ATOM 782 CA GLN A1193 1.445 -18.194 6.598 1.00 19.40 C ATOM 783 C GLN A1193 2.855 -17.771 6.226 1.00 18.83 C ATOM 784 O GLN A1193 3.792 -18.008 7.002 1.00 21.21 O ATOM 785 CB GLN A1193 1.212 -19.656 6.135 1.00 23.40 C ATOM 786 CG GLN A1193 -0.097 -20.256 6.651 1.00 25.50 C ATOM 787 CD GLN A1193 -0.464 -19.825 8.067 1.00 27.48 C ATOM 788 OE1 GLN A1193 0.258 -20.108 9.018 1.00 30.73 O ATOM 789 NE2 GLN A1193 -1.594 -19.123 8.209 1.00 31.55 N ATOM 790 HE22 GLN A1193 -2.178 -18.904 7.377 1.00 0.00 H ATOM 791 HE21 GLN A1193 -1.888 -18.796 9.151 1.00 0.00 H ATOM 792 H GLN A1193 -0.377 -17.744 5.477 1.00 0.00 H ATOM 793 N ALA A1194 3.058 -17.073 5.118 1.00 16.56 N ATOM 794 CA ALA A1194 4.382 -16.610 4.742 1.00 17.00 C ATOM 795 C ALA A1194 4.892 -15.608 5.779 1.00 16.98 C ATOM 796 O ALA A1194 6.066 -15.281 5.754 1.00 19.33 O ATOM 797 CB ALA A1194 4.340 -15.947 3.373 1.00 17.55 C ATOM 798 H ALA A1194 2.249 -16.851 4.503 1.00 0.00 H ATOM 799 N LEU A1195 3.983 -15.048 6.596 1.00 14.87 N ATOM 800 CA LEU A1195 4.372 -14.088 7.641 1.00 14.00 C ATOM 801 C LEU A1195 4.487 -14.664 9.057 1.00 14.41 C ATOM 802 O LEU A1195 4.859 -13.936 10.010 1.00 12.96 O ATOM 803 CB LEU A1195 3.351 -12.926 7.660 1.00 13.30 C ATOM 804 CG LEU A1195 3.104 -12.201 6.341 1.00 13.00 C ATOM 805 CD1 LEU A1195 2.133 -11.022 6.427 1.00 12.87 C ATOM 806 CD2 LEU A1195 4.432 -11.789 5.749 1.00 14.86 C ATOM 807 H LEU A1195 2.980 -15.300 6.487 1.00 0.00 H ATOM 808 N LEU A1196 4.070 -15.924 9.272 1.00 14.14 N ATOM 809 CA LEU A1196 4.021 -16.495 10.610 1.00 15.02 C ATOM 810 C LEU A1196 5.410 -16.535 11.233 1.00 15.82 C ATOM 811 O LEU A1196 5.559 -16.169 12.398 1.00 14.90 O ATOM 812 CB LEU A1196 3.467 -17.936 10.586 1.00 16.20 C ATOM 813 H LEU A1196 3.775 -16.505 8.462 1.00 0.00 H ATOM 814 N ASP A1197 6.452 -16.938 10.495 1.00 17.01 N ATOM 815 CA ASP A1197 7.762 -17.100 11.144 1.00 18.78 C ATOM 816 C ASP A1197 8.305 -15.745 11.648 1.00 15.62 C ATOM 817 O ASP A1197 8.809 -15.622 12.761 1.00 16.26 O ATOM 818 CB ASP A1197 8.792 -17.767 10.230 1.00 20.50 C ATOM 819 CG ASP A1197 8.526 -19.270 10.007 1.00 23.53 C ATOM 820 OD1 ASP A1197 7.786 -19.901 10.779 1.00 24.04 O ATOM 821 OD2 ASP A1197 9.096 -19.812 9.041 1.00 27.07 O ATOM 822 H ASP A1197 6.337 -17.133 9.480 1.00 0.00 H ATOM 823 N VAL A1198 8.200 -14.729 10.790 1.00 14.14 N ATOM 824 CA VAL A1198 8.749 -13.425 11.116 1.00 13.44 C ATOM 825 C VAL A1198 7.933 -12.829 12.273 1.00 11.83 C ATOM 826 O VAL A1198 8.491 -12.208 13.196 1.00 12.18 O ATOM 827 CB VAL A1198 8.874 -12.504 9.906 1.00 14.81 C ATOM 828 CG1 VAL A1198 7.511 -12.048 9.372 1.00 14.49 C ATOM 829 CG2 VAL A1198 9.721 -11.342 10.242 1.00 15.83 C ATOM 830 H VAL A1198 7.720 -14.872 9.879 1.00 0.00 H ATOM 831 N LYS A1199 6.603 -12.964 12.258 1.00 11.15 N ATOM 832 CA LYS A1199 5.804 -12.495 13.387 1.00 10.55 C ATOM 833 C LYS A1199 6.193 -13.190 14.697 1.00 11.23 C ATOM 834 O LYS A1199 6.265 -12.568 15.779 1.00 11.22 O ATOM 835 CB LYS A1199 4.287 -12.641 13.118 1.00 10.74 C ATOM 836 CG LYS A1199 3.769 -11.625 12.098 1.00 10.39 C ATOM 837 CD LYS A1199 2.281 -11.643 11.974 1.00 10.16 C ATOM 838 CE LYS A1199 1.788 -10.595 10.996 1.00 10.49 C ATOM 839 NZ LYS A1199 0.296 -10.517 11.013 1.00 10.58 N ATOM 840 HZ1 LYS A1199 -0.101 -11.440 10.746 1.00 0.00 H ATOM 841 HZ2 LYS A1199 -0.026 -10.263 11.969 1.00 0.00 H ATOM 842 HZ3 LYS A1199 -0.020 -9.793 10.336 1.00 0.00 H ATOM 843 H LYS A1199 6.136 -13.404 11.440 1.00 0.00 H ATOM 844 N ASN A1200 6.346 -14.514 14.600 1.00 11.67 N ATOM 845 CA ASN A1200 6.720 -15.265 15.777 1.00 12.37 C ATOM 846 C ASN A1200 8.107 -14.878 16.313 1.00 11.80 C ATOM 847 O ASN A1200 8.282 -14.813 17.538 1.00 12.99 O ATOM 848 CB ASN A1200 6.655 -16.770 15.488 1.00 13.92 C ATOM 849 CG ASN A1200 5.249 -17.309 15.418 1.00 15.39 C ATOM 850 OD1 ASN A1200 4.296 -16.754 15.933 1.00 17.89 O ATOM 851 ND2 ASN A1200 5.130 -18.460 14.755 1.00 20.15 N ATOM 852 HD22 ASN A1200 5.968 -18.904 14.329 1.00 0.00 H ATOM 853 HD21 ASN A1200 4.199 -18.914 14.664 1.00 0.00 H ATOM 854 H ASN A1200 6.198 -14.997 13.691 1.00 0.00 H ATOM 855 N ILE A1201 9.079 -14.632 15.453 1.00 11.83 N ATOM 856 CA ILE A1201 10.405 -14.217 15.899 1.00 12.73 C ATOM 857 C ILE A1201 10.273 -12.860 16.601 1.00 12.49 C ATOM 858 O ILE A1201 10.859 -12.596 17.678 1.00 12.58 O ATOM 859 CB ILE A1201 11.402 -14.169 14.719 1.00 14.15 C ATOM 860 CG1 ILE A1201 11.790 -15.581 14.221 1.00 17.07 C ATOM 861 CG2 ILE A1201 12.649 -13.369 15.035 1.00 16.36 C ATOM 862 H ILE A1201 8.895 -14.736 14.435 1.00 0.00 H ATOM 863 N ALA A1202 9.542 -11.942 15.993 1.00 11.53 N ATOM 864 CA ALA A1202 9.303 -10.635 16.652 1.00 11.20 C ATOM 865 C ALA A1202 8.580 -10.776 17.971 1.00 11.36 C ATOM 866 O ALA A1202 8.930 -10.117 18.950 1.00 12.14 O ATOM 867 CB ALA A1202 8.517 -9.731 15.708 1.00 10.66 C ATOM 868 H ALA A1202 9.136 -12.136 15.055 1.00 0.00 H ATOM 869 N HIS A1203 7.570 -11.650 18.043 1.00 11.53 N ATOM 870 CA HIS A1203 6.811 -11.857 19.278 1.00 13.07 C ATOM 871 C HIS A1203 7.749 -12.375 20.378 1.00 13.22 C ATOM 872 O HIS A1203 7.710 -11.867 21.536 1.00 12.80 O ATOM 873 CB HIS A1203 5.657 -12.862 19.056 1.00 14.73 C ATOM 874 CG HIS A1203 4.697 -12.956 20.190 1.00 16.24 C ATOM 875 ND1 HIS A1203 4.977 -13.655 21.349 1.00 18.70 N ATOM 876 CD2 HIS A1203 3.436 -12.489 20.326 1.00 18.99 C ATOM 877 CE1 HIS A1203 3.955 -13.570 22.166 1.00 19.35 C ATOM 878 NE2 HIS A1203 3.004 -12.864 21.581 1.00 22.26 N ATOM 879 H HIS A1203 7.316 -12.199 17.197 1.00 0.00 H ATOM 880 N GLN A1204 8.623 -13.314 20.033 1.00 14.04 N ATOM 881 CA GLN A1204 9.561 -13.900 21.040 1.00 14.79 C ATOM 882 C GLN A1204 10.536 -12.812 21.525 1.00 15.72 C ATOM 883 O GLN A1204 10.869 -12.780 22.704 1.00 16.25 O ATOM 884 CB GLN A1204 10.354 -15.033 20.467 1.00 16.63 C ATOM 885 CG GLN A1204 9.500 -16.266 20.212 1.00 19.60 C ATOM 886 H GLN A1204 8.656 -13.647 19.048 1.00 0.00 H ATOM 887 N ASN A1205 11.002 -11.944 20.610 1.00 13.41 N ATOM 888 CA ASN A1205 11.953 -10.894 20.986 1.00 13.52 C ATOM 889 C ASN A1205 11.288 -9.830 21.829 1.00 13.93 C ATOM 890 O ASN A1205 11.893 -9.320 22.802 1.00 13.69 O ATOM 891 CB ASN A1205 12.625 -10.281 19.753 1.00 13.66 C ATOM 892 CG ASN A1205 13.697 -9.263 20.112 1.00 14.60 C ATOM 893 OD1 ASN A1205 13.507 -8.051 19.961 1.00 14.89 O ATOM 894 ND2 ASN A1205 14.824 -9.750 20.641 1.00 15.53 N ATOM 895 HD22 ASN A1205 14.945 -10.777 20.751 1.00 0.00 H ATOM 896 HD21 ASN A1205 15.579 -9.102 20.942 1.00 0.00 H ATOM 897 H ASN A1205 10.684 -12.019 19.623 1.00 0.00 H ATOM 898 N LYS A1206 10.037 -9.511 21.518 1.00 12.35 N ATOM 899 CA LYS A1206 9.290 -8.469 22.224 1.00 13.39 C ATOM 900 C LYS A1206 8.844 -8.890 23.604 1.00 14.67 C ATOM 901 O LYS A1206 9.019 -8.145 24.578 1.00 14.42 O ATOM 902 CB LYS A1206 8.075 -8.027 21.402 1.00 13.04 C ATOM 903 CG LYS A1206 7.311 -6.829 21.943 1.00 11.99 C ATOM 904 CD LYS A1206 6.299 -6.223 20.972 1.00 12.02 C ATOM 905 CE LYS A1206 5.556 -5.027 21.538 1.00 12.13 C ATOM 906 NZ LYS A1206 6.330 -3.770 21.412 1.00 12.85 N ATOM 907 HZ1 LYS A1206 7.228 -3.864 21.928 1.00 0.00 H ATOM 908 HZ2 LYS A1206 6.524 -3.583 20.407 1.00 0.00 H ATOM 909 HZ3 LYS A1206 5.780 -2.984 21.813 1.00 0.00 H ATOM 910 H LYS A1206 9.570 -10.022 20.742 1.00 0.00 H ATOM 911 N PHE A1207 8.280 -10.090 23.697 1.00 16.49 N ATOM 912 CA PHE A1207 7.560 -10.515 24.899 1.00 17.73 C ATOM 913 C PHE A1207 8.353 -11.566 25.652 1.00 23.03 C ATOM 914 O PHE A1207 8.023 -11.806 26.841 1.00 25.71 O ATOM 915 CB PHE A1207 6.148 -11.009 24.534 1.00 17.62 C ATOM 916 CG PHE A1207 5.268 -9.961 23.944 1.00 16.50 C ATOM 917 CD1 PHE A1207 4.852 -8.868 24.698 1.00 16.99 C ATOM 918 CD2 PHE A1207 4.871 -10.017 22.599 1.00 17.37 C ATOM 919 CE1 PHE A1207 4.036 -7.877 24.131 1.00 16.81 C ATOM 920 CE2 PHE A1207 4.054 -9.037 22.036 1.00 17.78 C ATOM 921 CZ PHE A1207 3.639 -7.960 22.792 1.00 18.33 C ATOM 922 H PHE A1207 8.352 -10.746 22.893 1.00 0.00 H TER 923 PHE A1207 HETATM 924 ZN ZN A 1 13.066 -2.461 2.467 1.00 10.45 ZN HETATM 925 ZN ZN A 2 12.336 8.116 11.619 1.00 11.21 ZN HETATM 926 ZN ZN A 3 0.038 -6.016 -1.278 1.00 9.56 ZN HETATM 927 O HOH 4 20.271 -12.276 17.482 1.00 22.67 O HETATM 928 O HOH 5 -3.810 -16.511 4.766 1.00 18.86 O HETATM 929 O HOH 6 17.853 -8.307 11.538 1.00 24.48 O HETATM 930 O HOH 7 21.352 -17.435 13.994 1.00 21.06 O HETATM 931 O HOH 8 6.217 5.799 7.839 1.00 9.68 O HETATM 932 O HOH 9 8.074 -14.581 -0.053 1.00 28.62 O HETATM 933 O HOH 10 4.841 0.291 14.655 1.00 12.62 O HETATM 934 O HOH 11 11.777 -0.111 17.789 1.00 12.68 O HETATM 935 O HOH 12 13.954 9.466 0.106 1.00 25.23 O HETATM 936 O HOH 13 9.801 -8.376 27.132 1.00 16.30 O HETATM 937 O HOH 14 5.034 13.249 15.177 1.00 26.31 O HETATM 938 O HOH 15 16.841 -3.123 23.975 1.00 17.31 O HETATM 939 O HOH 16 -1.303 -7.862 15.107 1.00 23.29 O HETATM 940 O HOH 17 17.234 6.394 20.073 1.00 15.79 O HETATM 941 O HOH 18 15.322 -5.520 13.806 1.00 11.18 O HETATM 942 O HOH 19 17.792 1.095 12.418 1.00 12.36 O HETATM 943 O HOH 20 3.959 4.461 20.249 1.00 23.85 O HETATM 944 O HOH 21 -1.055 -8.313 9.796 1.00 11.18 O HETATM 945 O HOH 22 14.605 -3.922 -4.012 1.00 25.95 O HETATM 946 O HOH 23 19.206 -4.223 4.328 1.00 17.75 O HETATM 947 O HOH 24 -1.245 0.855 -5.046 1.00 32.53 O HETATM 948 O HOH 25 7.185 10.100 4.709 1.00 21.48 O HETATM 949 O HOH 26 7.854 -16.263 3.948 1.00 30.76 O HETATM 950 O HOH 27 6.363 -18.249 7.877 1.00 22.34 O HETATM 951 O HOH 28 4.996 11.395 8.702 1.00 29.23 O HETATM 952 O HOH 29 11.285 -15.500 1.568 1.00 21.50 O HETATM 953 O HOH 30 6.002 6.783 -0.016 1.00 22.64 O HETATM 954 O HOH 31 12.708 -6.748 23.358 1.00 14.29 O HETATM 955 O HOH 32 3.084 2.372 13.899 1.00 18.65 O HETATM 956 O HOH 33 8.305 -6.144 1.912 1.00 10.90 O HETATM 957 O HOH 34 -2.668 -3.156 13.165 1.00 23.67 O HETATM 958 O HOH 35 -1.174 -9.812 13.264 1.00 16.23 O HETATM 959 O HOH 36 3.013 5.768 13.192 1.00 13.56 O HETATM 960 O HOH 37 18.320 -3.522 10.318 1.00 23.41 O HETATM 961 O HOH 38 9.829 -11.801 -5.364 1.00 22.40 O HETATM 962 O HOH 39 4.718 -1.571 22.068 1.00 21.24 O HETATM 963 O HOH 40 7.671 -19.872 13.581 1.00 26.02 O HETATM 964 O HOH 41 10.186 -1.414 20.914 1.00 13.24 O HETATM 965 O HOH 42 11.609 1.011 20.951 1.00 13.71 O HETATM 966 O HOH 43 7.954 -15.131 7.827 1.00 16.53 O HETATM 967 O HOH 44 18.679 -16.487 7.195 1.00 26.21 O HETATM 968 O HOH 45 3.398 12.766 11.453 1.00 22.92 O HETATM 969 O HOH 46 11.391 3.435 -5.562 1.00 12.21 O HETATM 970 O HOH 47 16.116 -6.231 11.236 1.00 14.48 O HETATM 971 O HOH 48 16.598 12.831 14.572 1.00 22.71 O HETATM 972 O HOH 49 14.856 -6.387 21.806 1.00 27.98 O HETATM 973 O HOH 50 17.569 -9.138 18.609 1.00 27.94 O HETATM 974 O HOH 51 20.852 -14.837 7.608 1.00 20.40 O HETATM 975 O HOH 52 10.825 -2.846 -5.119 1.00 18.63 O HETATM 976 O HOH 53 13.371 -13.658 18.541 1.00 17.00 O HETATM 977 O HOH 54 -4.573 -0.081 -3.283 1.00 34.14 O HETATM 978 O HOH 55 -2.049 -18.405 4.968 1.00 20.30 O HETATM 979 O HOH 56 2.722 -3.749 -7.314 1.00 24.18 O HETATM 980 O HOH 57 4.455 -8.217 -6.210 1.00 13.59 O HETATM 981 O HOH 58 2.046 -12.854 -3.310 1.00 14.35 O HETATM 982 O HOH 59 10.370 -14.428 6.018 1.00 30.29 O HETATM 983 O HOH 60 18.818 2.084 7.925 1.00 22.51 O HETATM 984 O HOH 61 16.734 3.963 -2.854 1.00 32.39 O HETATM 985 O HOH 62 17.635 0.202 9.736 1.00 14.81 O HETATM 986 O HOH 63 15.369 -12.460 17.033 1.00 23.33 O HETATM 987 O HOH 64 -6.563 -3.396 6.415 1.00 20.65 O HETATM 988 O HOH 65 6.248 3.310 20.132 1.00 21.41 O HETATM 989 O HOH 66 14.849 -12.691 20.867 1.00 27.86 O HETATM 990 O HOH 67 2.081 -12.646 -6.144 1.00 21.58 O HETATM 991 O HOH 68 9.115 1.203 18.048 1.00 12.65 O HETATM 992 O HOH 69 13.695 -10.705 24.710 1.00 34.33 O HETATM 993 O HOH 70 16.054 -15.602 12.866 1.00 29.32 O HETATM 994 O HOH 71 18.043 -1.673 20.417 1.00 25.42 O HETATM 995 O HOH 72 11.132 9.100 22.205 1.00 26.23 O HETATM 996 O HOH 73 7.807 -0.798 19.800 1.00 20.83 O HETATM 997 O HOH 74 7.606 13.841 14.943 1.00 29.37 O HETATM 998 O HOH 75 -0.235 2.756 2.009 1.00 30.56 O HETATM 999 O HOH 76 13.311 8.548 20.642 1.00 15.30 O HETATM 1000 O HOH 77 12.810 -17.074 6.847 1.00 30.59 O HETATM 1001 O HOH 78 17.712 -8.090 20.809 1.00 36.30 O HETATM 1002 O HOH 79 -1.190 -1.633 -5.986 1.00 25.58 O HETATM 1003 O HOH 80 13.437 13.422 11.103 1.00 24.99 O HETATM 1004 O HOH 81 16.786 -5.669 23.839 1.00 22.25 O HETATM 1005 O HOH 82 7.061 9.835 2.006 1.00 34.21 O HETATM 1006 O HOH 83 19.663 -1.617 9.330 1.00 26.20 O HETATM 1007 O HOH 84 16.363 -15.289 15.628 1.00 36.26 O HETATM 1008 O HOH 85 -2.479 -3.963 -4.880 1.00 15.64 O HETATM 1009 O HOH 86 20.081 2.106 13.340 1.00 27.50 O HETATM 1010 O HOH 87 0.796 -2.118 -7.719 1.00 21.26 O HETATM 1011 O HOH 88 5.622 6.618 -2.769 1.00 27.49 O HETATM 1012 O HOH 89 3.300 14.706 16.950 1.00 16.87 O HETATM 1013 O HOH 90 -8.511 -4.458 -0.208 1.00 29.62 O HETATM 1014 C8 EYM A 91 -1.133 5.447 4.478 1.00 -0.08 C HETATM 1015 C9 EYM A 91 -2.440 5.257 4.880 1.00 -0.07 C HETATM 1016 C10 EYM A 91 -2.738 4.419 5.943 1.00 -0.04 C HETATM 1017 C11 EYM A 91 -1.707 3.760 6.614 1.00 0.10 C HETATM 1018 C6 EYM A 91 -0.375 3.949 6.203 1.00 0.06 C HETATM 1019 N1 EYM A 91 0.687 3.290 6.813 1.00 -0.28 N HETATM 1020 C2 EYM A 91 0.441 2.475 7.787 1.00 0.12 C HETATM 1021 C1 EYM A 91 -0.935 2.181 8.312 1.00 0.26 C HETATM 1022 O2 EYM A 91 -1.108 1.420 9.254 1.00 -0.38 O HETATM 1023 N EYM A 91 -1.948 2.869 7.689 1.00 -0.21 N HETATM 1024 C EYM A 91 -3.293 2.729 8.254 1.00 0.05 C HETATM 1025 H6 EYM A 91 -3.272 1.995 9.073 1.00 0.06 H HETATM 1026 H7 EYM A 91 -3.986 2.385 7.471 1.00 0.06 H HETATM 1027 H8 EYM A 91 -3.631 3.701 8.642 1.00 0.06 H HETATM 1028 C3 EYM A 91 1.580 1.820 8.499 1.00 0.03 C HETATM 1029 C4 EYM A 91 2.943 2.141 7.990 1.00 0.02 C HETATM 1030 C5 EYM A 91 3.456 3.523 8.284 1.00 0.04 C HETATM 1031 O1 EYM A 91 2.985 4.117 9.366 1.00 -0.57 O HETATM 1032 O EYM A 91 4.290 3.987 7.561 1.00 -0.57 O HETATM 1033 H2 EYM A 91 3.645 1.421 8.436 1.00 0.05 H HETATM 1034 H3 EYM A 91 2.931 2.013 6.897 1.00 0.05 H HETATM 1035 H4 EYM A 91 1.441 0.731 8.425 1.00 0.05 H HETATM 1036 H5 EYM A 91 1.536 2.124 9.555 1.00 0.05 H HETATM 1037 C7 EYM A 91 -0.098 4.803 5.135 1.00 -0.06 C HETATM 1038 H11 EYM A 91 0.927 4.962 4.820 1.00 0.06 H HETATM 1039 H9 EYM A 91 -3.767 4.276 6.252 1.00 0.05 H HETATM 1040 H10 EYM A 91 -3.241 5.768 4.359 1.00 0.06 H HETATM 1041 H1 EYM A 91 -0.916 6.104 3.643 1.00 0.05 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 55 54 926 CONECT 70 69 72 926 CONECT 212 211 925 CONECT 233 232 925 CONECT 320 319 924 CONECT 344 343 924 CONECT 399 398 925 CONECT 468 467 470 925 CONECT 512 510 511 924 CONECT 560 559 562 924 CONECT 682 681 926 CONECT 717 716 926 CONECT 924 320 344 512 560 CONECT 925 212 233 399 468 CONECT 926 55 70 682 717 CONECT 1014 1015 1037 1041 CONECT 1015 1014 1016 1040 CONECT 1016 1015 1017 1039 CONECT 1017 1016 1018 1023 CONECT 1018 1017 1019 1037 CONECT 1019 1018 1020 CONECT 1020 1019 1021 1028 CONECT 1021 1020 1022 1023 CONECT 1022 1021 CONECT 1023 1017 1021 1024 CONECT 1024 1023 1025 1026 1027 CONECT 1025 1024 CONECT 1026 1024 CONECT 1027 1024 CONECT 1028 1020 1029 1035 1036 CONECT 1029 1028 1030 1033 1034 CONECT 1030 1029 1031 1032 CONECT 1031 1030 CONECT 1032 1030 CONECT 1033 1029 CONECT 1034 1029 CONECT 1035 1028 CONECT 1036 1028 CONECT 1037 1014 1018 1038 CONECT 1038 1037 CONECT 1039 1016 CONECT 1040 1015 CONECT 1041 1014 MASTER 0 0 0 0 0 0 0 0 1040 1 47 8 END
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Structure:
Ligand 2D
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Protein
Pocket-Ligand
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Related entries of code: 6cee
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5kh3
RCSB PDB
PDBbind
107aa, >5KH3_1|Chain... *
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%
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
6cee
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Histone deacetylase 6
Ligand Name
EYM
EC.Number
E.C.3.5.1.98
Resolution
1.55(Å)
Affinity (Kd/Ki/IC50)
IC50=65uM
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
72.19
LOGP Value
1.75 (
Computed with XLOGP3
)
0.95 (
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: 5
No. of Rings: 2
Canonical SMILES
OC(=O)CCc1nc2ccccc2n(c1=O)C
InChI String
InChI=1S/C12H12N2O3/c1-14-10-5-3-2-4-8(10)13-9(12(14)17)6-7-11(15)16/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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