Browse entries in the PDBbind-CN Database
HEADER 6CEA_COMPLEX COMPND 6CEA_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 99 PRO LEU PRO TRP CYS PRO HIS LEU VAL ALA VAL CYS PRO SEQRES 2 A 99 ILE PRO ALA ALA GLY LEU ASP VAL THR GLN PRO CYS GLY SEQRES 3 A 99 ASP CYS GLY THR ILE GLN GLU ASN TRP VAL CYS LEU SER SEQRES 4 A 99 CYS TYR GLN VAL TYR CYS GLY ARG TYR ILE ASN GLY HIS SEQRES 5 A 99 MET LEU GLN HIS HIS GLY ASN SER GLY HIS PRO LEU VAL SEQRES 6 A 99 LEU SER TYR ILE ASP LEU SER ALA TRP CYS TYR TYR CYS SEQRES 7 A 99 GLN ALA TYR VAL HIS HIS GLN ALA LEU LEU ASP VAL LYS SEQRES 8 A 99 ASN ILE ALA HIS GLN ASN LYS PHE HET ZN A 1 1 HET ZN A 2 1 HET ZN A 3 1 HET EYY A 193 25 ATOM 1 N PRO A1109 -8.912 -7.093 7.656 1.00 24.28 N ATOM 2 CA PRO A1109 -7.600 -7.353 7.000 1.00 21.67 C ATOM 3 C PRO A1109 -7.569 -8.495 6.003 1.00 20.49 C ATOM 4 O PRO A1109 -8.177 -9.580 6.233 1.00 16.34 O ATOM 5 CB PRO A1109 -6.742 -7.901 8.117 1.00 24.98 C ATOM 6 CG PRO A1109 -7.727 -8.637 8.980 1.00 25.59 C ATOM 7 CD PRO A1109 -8.987 -7.777 8.951 1.00 28.51 C ATOM 8 HN2 PRO A1109 -9.676 -7.439 7.042 1.00 0.00 H ATOM 9 HN1 PRO A1109 -9.024 -6.070 7.803 1.00 0.00 H ATOM 10 N LEU A1110 -6.763 -8.293 4.968 1.00 13.44 N ATOM 11 CA LEU A1110 -6.810 -9.244 3.843 1.00 12.62 C ATOM 12 C LEU A1110 -6.168 -10.558 4.222 1.00 12.51 C ATOM 13 O LEU A1110 -5.141 -10.625 4.854 1.00 13.43 O ATOM 14 CB LEU A1110 -6.097 -8.685 2.615 1.00 11.30 C ATOM 15 CG LEU A1110 -6.530 -7.343 2.010 1.00 11.46 C ATOM 16 CD1 LEU A1110 -5.541 -6.760 1.041 1.00 11.98 C ATOM 17 CD2 LEU A1110 -7.903 -7.505 1.436 1.00 13.93 C ATOM 18 H LEU A1110 -6.113 -7.482 4.951 1.00 0.00 H ATOM 19 N PRO A1111 -6.731 -11.657 3.697 1.00 11.53 N ATOM 20 CA PRO A1111 -6.125 -12.936 3.931 1.00 12.23 C ATOM 21 C PRO A1111 -5.008 -13.336 2.957 1.00 11.45 C ATOM 22 O PRO A1111 -4.408 -14.424 3.096 1.00 14.15 O ATOM 23 CB PRO A1111 -7.318 -13.895 3.734 1.00 13.57 C ATOM 24 CG PRO A1111 -8.221 -13.206 2.783 1.00 12.15 C ATOM 25 CD PRO A1111 -8.092 -11.722 3.108 1.00 12.47 C ATOM 26 N TRP A1112 -4.708 -12.469 1.994 1.00 10.25 N ATOM 27 CA TRP A1112 -3.662 -12.680 1.037 1.00 9.24 C ATOM 28 C TRP A1112 -3.430 -11.311 0.383 1.00 8.49 C ATOM 29 O TRP A1112 -4.315 -10.514 0.274 1.00 8.93 O ATOM 30 CB TRP A1112 -4.134 -13.669 -0.031 1.00 9.52 C ATOM 31 CG TRP A1112 -3.110 -14.044 -1.035 1.00 9.55 C ATOM 32 CD1 TRP A1112 -2.170 -15.037 -0.935 1.00 9.86 C ATOM 33 CD2 TRP A1112 -2.921 -13.488 -2.359 1.00 9.91 C ATOM 34 NE1 TRP A1112 -1.377 -15.049 -2.019 1.00 10.22 N ATOM 35 CE2 TRP A1112 -1.840 -14.164 -2.941 1.00 10.35 C ATOM 36 CE3 TRP A1112 -3.560 -12.484 -3.088 1.00 10.58 C ATOM 37 CZ2 TRP A1112 -1.401 -13.906 -4.215 1.00 9.92 C ATOM 38 CZ3 TRP A1112 -3.088 -12.188 -4.360 1.00 10.55 C ATOM 39 CH2 TRP A1112 -2.046 -12.925 -4.924 1.00 10.65 C ATOM 40 HE1 TRP A1112 -0.534 -15.647 -2.136 1.00 0.00 H ATOM 41 H TRP A1112 -5.262 -11.591 1.932 1.00 0.00 H ATOM 42 N CYS A1113 -2.261 -11.103 -0.187 1.00 7.68 N ATOM 43 CA CYS A1113 -2.039 -10.023 -1.159 1.00 7.53 C ATOM 44 C CYS A1113 -0.971 -10.418 -2.164 1.00 7.86 C ATOM 45 O CYS A1113 -0.156 -11.316 -1.898 1.00 7.79 O ATOM 46 CB CYS A1113 -1.798 -8.665 -0.462 1.00 7.99 C ATOM 47 SG CYS A1113 -0.054 -8.115 -0.423 1.00 7.41 S ATOM 48 H CYS A1113 -1.466 -11.726 0.060 1.00 0.00 H ATOM 49 N PRO A1114 -0.975 -9.771 -3.341 1.00 8.37 N ATOM 50 CA PRO A1114 -0.024 -10.150 -4.406 1.00 8.54 C ATOM 51 C PRO A1114 1.422 -9.743 -4.209 1.00 8.82 C ATOM 52 O PRO A1114 2.316 -10.036 -5.005 1.00 9.80 O ATOM 53 CB PRO A1114 -0.612 -9.519 -5.645 1.00 9.90 C ATOM 54 CG PRO A1114 -1.490 -8.357 -5.124 1.00 9.56 C ATOM 55 CD PRO A1114 -1.965 -8.799 -3.776 1.00 9.48 C ATOM 56 N HIS A1115 1.668 -9.134 -3.053 1.00 8.81 N ATOM 57 CA HIS A1115 3.015 -8.712 -2.670 1.00 8.50 C ATOM 58 C HIS A1115 3.678 -9.611 -1.668 1.00 8.37 C ATOM 59 O HIS A1115 4.855 -9.413 -1.353 1.00 9.16 O ATOM 60 CB HIS A1115 3.038 -7.239 -2.222 1.00 7.95 C ATOM 61 CG HIS A1115 2.397 -6.343 -3.203 1.00 7.70 C ATOM 62 ND1 HIS A1115 1.066 -5.985 -3.145 1.00 7.56 N ATOM 63 CD2 HIS A1115 2.864 -5.882 -4.392 1.00 7.71 C ATOM 64 CE1 HIS A1115 0.757 -5.336 -4.270 1.00 8.25 C ATOM 65 NE2 HIS A1115 1.844 -5.223 -5.017 1.00 7.66 N ATOM 66 H HIS A1115 0.878 -8.952 -2.401 1.00 0.00 H ATOM 67 N LEU A1116 2.974 -10.610 -1.159 1.00 7.56 N ATOM 68 CA LEU A1116 3.586 -11.572 -0.220 1.00 8.39 C ATOM 69 C LEU A1116 4.787 -12.303 -0.813 1.00 8.51 C ATOM 70 O LEU A1116 5.717 -12.621 -0.075 1.00 8.92 O ATOM 71 CB LEU A1116 2.567 -12.602 0.244 1.00 8.75 C ATOM 72 CG LEU A1116 1.450 -12.096 1.168 1.00 8.74 C ATOM 73 CD1 LEU A1116 0.371 -13.224 1.257 1.00 9.96 C ATOM 74 CD2 LEU A1116 2.012 -11.738 2.565 1.00 8.68 C ATOM 75 H LEU A1116 1.974 -10.719 -1.424 1.00 0.00 H ATOM 76 N VAL A1117 4.816 -12.427 -2.117 1.00 9.08 N ATOM 77 CA VAL A1117 6.040 -12.947 -2.788 1.00 10.56 C ATOM 78 C VAL A1117 7.314 -12.169 -2.495 1.00 13.62 C ATOM 79 O VAL A1117 8.368 -12.688 -2.700 1.00 13.93 O ATOM 80 CB VAL A1117 5.891 -13.066 -4.326 1.00 11.44 C ATOM 81 CG1 VAL A1117 4.878 -14.176 -4.652 1.00 12.85 C ATOM 82 CG2 VAL A1117 5.530 -11.743 -4.990 1.00 12.68 C ATOM 83 H VAL A1117 3.985 -12.162 -2.683 1.00 0.00 H ATOM 84 N ALA A1118 7.228 -10.875 -2.113 1.00 10.46 N ATOM 85 CA ALA A1118 8.391 -10.099 -1.813 1.00 11.25 C ATOM 86 C ALA A1118 8.827 -10.188 -0.375 1.00 10.23 C ATOM 87 O ALA A1118 9.826 -9.546 -0.028 1.00 12.50 O ATOM 88 CB ALA A1118 8.099 -8.634 -2.189 1.00 12.13 C ATOM 89 H ALA A1118 6.290 -10.432 -2.035 1.00 0.00 H ATOM 90 N VAL A1119 8.129 -10.940 0.490 1.00 10.18 N ATOM 91 CA VAL A1119 8.561 -11.200 1.875 1.00 10.43 C ATOM 92 C VAL A1119 9.783 -12.135 1.862 1.00 11.58 C ATOM 93 O VAL A1119 9.727 -13.224 1.266 1.00 14.67 O ATOM 94 CB VAL A1119 7.396 -11.814 2.721 1.00 11.31 C ATOM 95 CG1 VAL A1119 7.884 -12.252 4.093 1.00 10.80 C ATOM 96 CG2 VAL A1119 6.333 -10.701 2.872 1.00 11.72 C ATOM 97 H VAL A1119 7.235 -11.362 0.166 1.00 0.00 H ATOM 98 N CYS A1120 10.909 -11.666 2.436 1.00 10.63 N ATOM 99 CA CYS A1120 12.201 -12.373 2.333 1.00 10.62 C ATOM 100 C CYS A1120 12.521 -13.092 3.651 1.00 11.50 C ATOM 101 O CYS A1120 11.956 -12.844 4.721 1.00 11.84 O ATOM 102 CB CYS A1120 13.258 -11.370 1.913 1.00 10.54 C ATOM 103 SG CYS A1120 13.005 -10.732 0.262 1.00 10.37 S ATOM 104 H CYS A1120 10.866 -10.775 2.970 1.00 0.00 H ATOM 105 N PRO A1121 13.475 -14.016 3.592 1.00 11.08 N ATOM 106 CA PRO A1121 13.867 -14.725 4.783 1.00 11.56 C ATOM 107 C PRO A1121 14.367 -13.803 5.902 1.00 11.17 C ATOM 108 O PRO A1121 15.038 -12.798 5.684 1.00 12.81 O ATOM 109 CB PRO A1121 14.962 -15.699 4.259 1.00 11.14 C ATOM 110 CG PRO A1121 14.673 -15.816 2.860 1.00 10.70 C ATOM 111 CD PRO A1121 14.158 -14.498 2.389 1.00 11.02 C ATOM 112 N ILE A1122 14.017 -14.242 7.103 1.00 14.51 N ATOM 113 CA ILE A1122 14.343 -13.540 8.298 1.00 15.65 C ATOM 114 C ILE A1122 15.848 -13.658 8.533 1.00 15.00 C ATOM 115 O ILE A1122 16.385 -14.791 8.532 1.00 14.78 O ATOM 116 CB ILE A1122 13.639 -14.108 9.551 1.00 18.82 C ATOM 117 CG1 ILE A1122 12.087 -14.102 9.431 1.00 21.29 C ATOM 118 CG2 ILE A1122 14.056 -13.284 10.738 1.00 21.81 C ATOM 119 CD1 ILE A1122 11.359 -15.306 10.039 1.00 23.74 C ATOM 120 H ILE A1122 13.484 -15.132 7.175 1.00 0.00 H ATOM 121 N PRO A1123 16.527 -12.539 8.744 1.00 13.97 N ATOM 122 CA PRO A1123 17.958 -12.673 9.101 1.00 14.10 C ATOM 123 C PRO A1123 18.175 -13.598 10.300 1.00 14.26 C ATOM 124 O PRO A1123 17.392 -13.617 11.261 1.00 14.74 O ATOM 125 CB PRO A1123 18.410 -11.262 9.422 1.00 14.46 C ATOM 126 CG PRO A1123 17.356 -10.379 8.745 1.00 14.01 C ATOM 127 CD PRO A1123 16.075 -11.139 8.808 1.00 14.71 C ATOM 128 N ALA A1124 19.247 -14.385 10.203 1.00 13.30 N ATOM 129 CA ALA A1124 19.598 -15.278 11.322 1.00 13.88 C ATOM 130 C ALA A1124 19.951 -14.490 12.619 1.00 14.33 C ATOM 131 O ALA A1124 19.798 -15.056 13.702 1.00 16.95 O ATOM 132 CB ALA A1124 20.722 -16.263 10.956 1.00 12.93 C ATOM 133 H ALA A1124 19.832 -14.369 9.343 1.00 0.00 H ATOM 134 N ALA A1125 20.293 -13.218 12.553 1.00 15.25 N ATOM 135 CA ALA A1125 20.417 -12.410 13.775 1.00 17.78 C ATOM 136 C ALA A1125 19.091 -12.174 14.441 1.00 19.54 C ATOM 137 O ALA A1125 19.070 -11.715 15.576 1.00 21.14 O ATOM 138 CB ALA A1125 21.064 -11.043 13.511 1.00 17.46 C ATOM 139 H ALA A1125 20.477 -12.782 11.627 1.00 0.00 H ATOM 140 N GLY A1126 17.993 -12.503 13.785 1.00 15.74 N ATOM 141 CA GLY A1126 16.704 -12.166 14.298 1.00 15.65 C ATOM 142 C GLY A1126 16.322 -10.665 14.157 1.00 13.20 C ATOM 143 O GLY A1126 16.902 -9.862 13.434 1.00 15.64 O ATOM 144 H GLY A1126 18.068 -13.014 12.883 1.00 0.00 H ATOM 145 N LEU A1127 15.297 -10.365 14.924 1.00 12.30 N ATOM 146 CA LEU A1127 14.664 -9.030 14.935 1.00 11.16 C ATOM 147 C LEU A1127 14.818 -8.412 16.288 1.00 10.60 C ATOM 148 O LEU A1127 14.857 -9.147 17.295 1.00 12.44 O ATOM 149 CB LEU A1127 13.165 -9.123 14.649 1.00 11.69 C ATOM 150 CG LEU A1127 12.790 -9.669 13.319 1.00 12.34 C ATOM 151 CD1 LEU A1127 11.279 -9.902 13.280 1.00 12.26 C ATOM 152 CD2 LEU A1127 13.268 -8.837 12.167 1.00 13.18 C ATOM 153 H LEU A1127 14.914 -11.101 15.551 1.00 0.00 H ATOM 154 N ASP A1128 14.962 -7.073 16.304 1.00 10.01 N ATOM 155 CA ASP A1128 15.077 -6.340 17.591 1.00 10.73 C ATOM 156 C ASP A1128 13.962 -5.312 17.536 1.00 9.24 C ATOM 157 O ASP A1128 14.075 -4.305 16.821 1.00 9.72 O ATOM 158 CB ASP A1128 16.428 -5.618 17.686 1.00 11.47 C ATOM 159 CG ASP A1128 16.529 -4.721 18.900 1.00 13.45 C ATOM 160 OD1 ASP A1128 15.610 -4.726 19.726 1.00 11.99 O ATOM 161 OD2 ASP A1128 17.542 -3.962 18.939 1.00 18.39 O ATOM 162 H ASP A1128 14.993 -6.547 15.407 1.00 0.00 H ATOM 163 N VAL A1129 12.869 -5.583 18.251 1.00 8.56 N ATOM 164 CA VAL A1129 11.746 -4.735 18.222 1.00 8.51 C ATOM 165 C VAL A1129 11.955 -3.332 18.846 1.00 7.94 C ATOM 166 O VAL A1129 11.117 -2.420 18.667 1.00 7.99 O ATOM 167 CB VAL A1129 10.428 -5.346 18.810 1.00 8.76 C ATOM 168 CG1 VAL A1129 10.093 -6.656 18.096 1.00 9.10 C ATOM 169 CG2 VAL A1129 10.539 -5.447 20.314 1.00 9.62 C ATOM 170 H VAL A1129 12.846 -6.438 18.842 1.00 0.00 H ATOM 171 N THR A1130 13.120 -3.182 19.528 1.00 7.49 N ATOM 172 CA THR A1130 13.517 -1.923 20.090 1.00 8.81 C ATOM 173 C THR A1130 14.486 -1.136 19.231 1.00 8.73 C ATOM 174 O THR A1130 14.932 0.004 19.613 1.00 10.98 O ATOM 175 CB THR A1130 14.104 -2.067 21.492 1.00 8.99 C ATOM 176 OG1 THR A1130 15.401 -2.633 21.486 1.00 8.50 O ATOM 177 CG2 THR A1130 13.120 -2.789 22.357 1.00 9.93 C ATOM 178 HG1 THR A1130 15.365 -3.534 21.078 1.00 0.00 H ATOM 179 H THR A1130 13.744 -4.006 19.647 1.00 0.00 H ATOM 180 N GLN A1131 14.731 -1.607 18.013 1.00 8.45 N ATOM 181 CA GLN A1131 15.655 -0.946 17.107 1.00 8.70 C ATOM 182 C GLN A1131 15.118 0.413 16.685 1.00 9.57 C ATOM 183 O GLN A1131 13.928 0.558 16.379 1.00 8.87 O ATOM 184 CB GLN A1131 15.860 -1.816 15.871 1.00 8.96 C ATOM 185 CG GLN A1131 16.921 -1.371 14.908 1.00 8.55 C ATOM 186 CD GLN A1131 17.260 -2.366 13.806 1.00 9.05 C ATOM 187 OE1 GLN A1131 17.187 -3.599 14.033 1.00 10.62 O ATOM 188 NE2 GLN A1131 17.676 -1.868 12.656 1.00 8.62 N ATOM 189 HE22 GLN A1131 17.717 -0.838 12.520 1.00 0.00 H ATOM 190 HE21 GLN A1131 17.962 -2.506 11.886 1.00 0.00 H ATOM 191 H GLN A1131 14.248 -2.473 17.699 1.00 0.00 H ATOM 192 N PRO A1132 15.967 1.436 16.718 1.00 8.58 N ATOM 193 CA PRO A1132 15.466 2.778 16.356 1.00 8.62 C ATOM 194 C PRO A1132 15.350 2.941 14.836 1.00 8.37 C ATOM 195 O PRO A1132 15.908 2.153 14.047 1.00 8.29 O ATOM 196 CB PRO A1132 16.533 3.709 16.936 1.00 8.92 C ATOM 197 CG PRO A1132 17.764 2.906 16.839 1.00 9.09 C ATOM 198 CD PRO A1132 17.363 1.454 17.192 1.00 9.08 C ATOM 199 N CYS A1133 14.725 4.050 14.434 1.00 8.25 N ATOM 200 CA CYS A1133 14.600 4.387 13.015 1.00 8.18 C ATOM 201 C CYS A1133 15.983 4.575 12.467 1.00 8.95 C ATOM 202 O CYS A1133 16.729 5.419 12.973 1.00 9.59 O ATOM 203 CB CYS A1133 13.805 5.635 12.811 1.00 8.27 C ATOM 204 SG CYS A1133 13.653 6.212 11.133 1.00 7.27 S ATOM 205 H CYS A1133 14.317 4.690 15.146 1.00 0.00 H ATOM 206 N GLY A1134 16.236 3.971 11.332 1.00 8.31 N ATOM 207 CA GLY A1134 17.509 4.109 10.657 1.00 9.24 C ATOM 208 C GLY A1134 17.816 5.448 10.087 1.00 10.39 C ATOM 209 O GLY A1134 19.010 5.677 9.765 1.00 14.31 O ATOM 210 H GLY A1134 15.500 3.374 10.903 1.00 0.00 H ATOM 211 N ASP A1135 16.827 6.310 9.888 1.00 9.86 N ATOM 212 CA ASP A1135 17.088 7.705 9.430 1.00 10.70 C ATOM 213 C ASP A1135 17.203 8.599 10.666 1.00 10.28 C ATOM 214 O ASP A1135 18.320 9.186 10.914 1.00 11.07 O ATOM 215 CB ASP A1135 15.988 8.139 8.476 1.00 11.67 C ATOM 216 CG ASP A1135 16.059 7.449 7.080 1.00 13.60 C ATOM 217 OD1 ASP A1135 17.158 7.051 6.608 1.00 16.74 O ATOM 218 OD2 ASP A1135 14.980 7.369 6.417 1.00 15.72 O ATOM 219 H ASP A1135 15.847 6.006 10.055 1.00 0.00 H ATOM 220 N CYS A1136 16.127 8.713 11.482 1.00 10.22 N ATOM 221 CA CYS A1136 16.094 9.784 12.501 1.00 9.18 C ATOM 222 C CYS A1136 16.430 9.332 13.891 1.00 9.08 C ATOM 223 O CYS A1136 16.471 10.158 14.810 1.00 9.83 O ATOM 224 CB CYS A1136 14.760 10.457 12.501 1.00 9.00 C ATOM 225 SG CYS A1136 13.343 9.457 13.068 1.00 8.45 S ATOM 226 H CYS A1136 15.330 8.051 11.392 1.00 0.00 H ATOM 227 N GLY A1137 16.554 8.046 14.111 1.00 9.16 N ATOM 228 CA GLY A1137 16.929 7.553 15.421 1.00 8.69 C ATOM 229 C GLY A1137 15.821 7.455 16.448 1.00 9.04 C ATOM 230 O GLY A1137 16.053 7.075 17.566 1.00 10.04 O ATOM 231 H GLY A1137 16.382 7.372 13.338 1.00 0.00 H ATOM 232 N THR A1138 14.574 7.746 16.088 1.00 7.89 N ATOM 233 CA THR A1138 13.495 7.732 17.026 1.00 8.69 C ATOM 234 C THR A1138 13.230 6.313 17.502 1.00 9.10 C ATOM 235 O THR A1138 13.405 5.341 16.724 1.00 8.77 O ATOM 236 CB THR A1138 12.202 8.333 16.514 1.00 9.44 C ATOM 237 OG1 THR A1138 11.227 8.378 17.590 1.00 11.00 O ATOM 238 CG2 THR A1138 11.570 7.454 15.362 1.00 9.84 C ATOM 239 HG1 THR A1138 10.383 8.771 17.253 1.00 0.00 H ATOM 240 H THR A1138 14.378 7.991 15.096 1.00 0.00 H ATOM 241 N ILE A1139 12.885 6.167 18.759 1.00 10.07 N ATOM 242 CA ILE A1139 12.490 4.866 19.325 1.00 11.53 C ATOM 243 C ILE A1139 11.013 4.599 19.206 1.00 11.66 C ATOM 244 O ILE A1139 10.613 3.448 19.504 1.00 13.03 O ATOM 245 CB ILE A1139 12.908 4.698 20.788 1.00 16.30 C ATOM 246 CG1 ILE A1139 12.151 5.651 21.748 1.00 19.20 C ATOM 247 CG2 ILE A1139 14.445 4.826 20.874 1.00 18.56 C ATOM 248 CD1 ILE A1139 12.542 5.488 23.218 1.00 20.55 C ATOM 249 H ILE A1139 12.891 7.002 19.380 1.00 0.00 H ATOM 250 N GLN A1140 10.262 5.564 18.679 1.00 10.65 N ATOM 251 CA GLN A1140 8.813 5.508 18.626 1.00 11.94 C ATOM 252 C GLN A1140 8.242 5.028 17.273 1.00 10.53 C ATOM 253 O GLN A1140 8.686 5.464 16.223 1.00 11.31 O ATOM 254 CB GLN A1140 8.227 6.879 18.853 1.00 13.36 C ATOM 255 CG GLN A1140 8.688 7.458 20.156 1.00 15.77 C ATOM 256 CD GLN A1140 7.937 8.707 20.508 1.00 17.29 C ATOM 257 OE1 GLN A1140 6.716 8.682 20.512 1.00 22.72 O ATOM 258 NE2 GLN A1140 8.644 9.777 20.779 1.00 17.66 N ATOM 259 HE22 GLN A1140 9.683 9.733 20.759 1.00 0.00 H ATOM 260 HE21 GLN A1140 8.166 10.670 21.014 1.00 0.00 H ATOM 261 H GLN A1140 10.738 6.401 18.285 1.00 0.00 H ATOM 262 N GLU A1141 7.228 4.201 17.366 1.00 10.58 N ATOM 263 CA GLU A1141 6.418 3.795 16.234 1.00 10.67 C ATOM 264 C GLU A1141 7.211 3.265 15.017 1.00 8.86 C ATOM 265 O GLU A1141 6.919 3.620 13.883 1.00 9.48 O ATOM 266 CB GLU A1141 5.496 4.934 15.787 1.00 13.03 C ATOM 267 CG GLU A1141 4.526 5.440 16.869 1.00 16.40 C ATOM 268 CD GLU A1141 3.141 4.772 16.804 1.00 18.92 C ATOM 269 OE1 GLU A1141 2.599 4.642 15.674 1.00 25.29 O ATOM 270 OE2 GLU A1141 2.611 4.361 17.871 1.00 19.39 O ATOM 271 H GLU A1141 6.992 3.816 18.303 1.00 0.00 H ATOM 272 N ASN A1142 8.224 2.469 15.242 1.00 7.90 N ATOM 273 CA ASN A1142 8.974 1.855 14.139 1.00 7.38 C ATOM 274 C ASN A1142 8.281 0.639 13.565 1.00 7.12 C ATOM 275 O ASN A1142 7.537 -0.124 14.228 1.00 7.01 O ATOM 276 CB ASN A1142 10.425 1.559 14.619 1.00 7.91 C ATOM 277 CG ASN A1142 11.169 2.842 14.882 1.00 8.34 C ATOM 278 OD1 ASN A1142 11.210 3.701 14.000 1.00 8.90 O ATOM 279 ND2 ASN A1142 11.692 3.015 16.124 1.00 9.00 N ATOM 280 HD22 ASN A1142 11.626 2.251 16.827 1.00 0.00 H ATOM 281 HD21 ASN A1142 12.158 3.911 16.372 1.00 0.00 H ATOM 282 H ASN A1142 8.504 2.267 16.223 1.00 0.00 H ATOM 283 N TRP A1143 8.612 0.425 12.291 1.00 6.97 N ATOM 284 CA TRP A1143 8.240 -0.705 11.473 1.00 7.02 C ATOM 285 C TRP A1143 9.514 -1.342 10.911 1.00 7.14 C ATOM 286 O TRP A1143 10.511 -0.673 10.755 1.00 7.37 O ATOM 287 CB TRP A1143 7.334 -0.206 10.325 1.00 7.43 C ATOM 288 CG TRP A1143 6.031 0.368 10.780 1.00 7.72 C ATOM 289 CD1 TRP A1143 5.829 1.552 11.455 1.00 8.22 C ATOM 290 CD2 TRP A1143 4.716 -0.209 10.581 1.00 8.03 C ATOM 291 NE1 TRP A1143 4.499 1.716 11.730 1.00 8.36 N ATOM 292 CE2 TRP A1143 3.799 0.659 11.208 1.00 8.66 C ATOM 293 CE3 TRP A1143 4.233 -1.414 10.037 1.00 8.26 C ATOM 294 CZ2 TRP A1143 2.444 0.401 11.218 1.00 8.36 C ATOM 295 CZ3 TRP A1143 2.929 -1.652 10.039 1.00 9.23 C ATOM 296 CH2 TRP A1143 2.025 -0.760 10.647 1.00 9.21 C ATOM 297 HE1 TRP A1143 4.085 2.515 12.252 1.00 0.00 H ATOM 298 H TRP A1143 9.202 1.151 11.837 1.00 0.00 H ATOM 299 N VAL A1144 9.440 -2.642 10.587 1.00 6.30 N ATOM 300 CA VAL A1144 10.579 -3.351 9.939 1.00 7.01 C ATOM 301 C VAL A1144 10.090 -3.743 8.510 1.00 6.50 C ATOM 302 O VAL A1144 8.936 -4.208 8.323 1.00 6.76 O ATOM 303 CB VAL A1144 11.074 -4.601 10.750 1.00 6.92 C ATOM 304 CG1 VAL A1144 9.990 -5.651 10.975 1.00 6.57 C ATOM 305 CG2 VAL A1144 12.320 -5.191 10.113 1.00 7.13 C ATOM 306 H VAL A1144 8.566 -3.167 10.793 1.00 0.00 H ATOM 307 N CYS A1145 10.940 -3.526 7.517 1.00 6.84 N ATOM 308 CA CYS A1145 10.625 -3.914 6.161 1.00 7.02 C ATOM 309 C CYS A1145 10.795 -5.418 5.976 1.00 7.13 C ATOM 310 O CYS A1145 11.826 -6.023 6.281 1.00 6.62 O ATOM 311 CB CYS A1145 11.580 -3.260 5.201 1.00 6.94 C ATOM 312 SG CYS A1145 11.222 -3.607 3.493 1.00 7.41 S ATOM 313 H CYS A1145 11.852 -3.067 7.717 1.00 0.00 H ATOM 314 N LEU A1146 9.777 -6.057 5.451 1.00 7.01 N ATOM 315 CA LEU A1146 9.735 -7.489 5.299 1.00 6.84 C ATOM 316 C LEU A1146 10.450 -7.987 4.033 1.00 7.86 C ATOM 317 O LEU A1146 10.535 -9.234 3.871 1.00 8.70 O ATOM 318 CB LEU A1146 8.315 -8.034 5.405 1.00 7.39 C ATOM 319 CG LEU A1146 7.622 -7.872 6.777 1.00 7.41 C ATOM 320 CD1 LEU A1146 6.250 -8.533 6.746 1.00 8.88 C ATOM 321 CD2 LEU A1146 8.481 -8.381 7.882 1.00 7.82 C ATOM 322 H LEU A1146 8.959 -5.502 5.128 1.00 0.00 H ATOM 323 N SER A1147 11.026 -7.035 3.282 1.00 7.46 N ATOM 324 CA SER A1147 11.972 -7.382 2.182 1.00 7.26 C ATOM 325 C SER A1147 13.420 -7.319 2.609 1.00 8.33 C ATOM 326 O SER A1147 14.134 -8.319 2.499 1.00 10.28 O ATOM 327 CB SER A1147 11.688 -6.685 0.929 1.00 6.39 C ATOM 328 OG SER A1147 10.360 -6.951 0.399 1.00 6.51 O ATOM 329 HG SER A1147 10.263 -7.921 0.226 1.00 0.00 H ATOM 330 H SER A1147 10.808 -6.036 3.471 1.00 0.00 H ATOM 331 N CYS A1148 13.834 -6.191 3.168 1.00 8.51 N ATOM 332 CA CYS A1148 15.264 -5.941 3.438 1.00 8.32 C ATOM 333 C CYS A1148 15.581 -5.784 4.930 1.00 8.50 C ATOM 334 O CYS A1148 16.749 -5.600 5.269 1.00 8.40 O ATOM 335 CB CYS A1148 15.700 -4.712 2.686 1.00 8.59 C ATOM 336 SG CYS A1148 15.085 -3.097 3.327 1.00 8.60 S ATOM 337 H CYS A1148 13.135 -5.464 3.423 1.00 0.00 H ATOM 338 N TYR A1149 14.567 -5.795 5.797 1.00 7.33 N ATOM 339 CA TYR A1149 14.732 -5.763 7.243 1.00 7.47 C ATOM 340 C TYR A1149 15.417 -4.532 7.848 1.00 7.23 C ATOM 341 O TYR A1149 15.805 -4.583 9.007 1.00 8.24 O ATOM 342 CB TYR A1149 15.334 -7.105 7.713 1.00 7.89 C ATOM 343 CG TYR A1149 14.365 -8.271 7.491 1.00 7.73 C ATOM 344 CD1 TYR A1149 14.277 -8.895 6.263 1.00 8.28 C ATOM 345 CD2 TYR A1149 13.391 -8.597 8.444 1.00 8.74 C ATOM 346 CE1 TYR A1149 13.303 -9.912 6.028 1.00 8.90 C ATOM 347 CE2 TYR A1149 12.447 -9.573 8.233 1.00 8.99 C ATOM 348 CZ TYR A1149 12.422 -10.258 7.021 1.00 9.06 C ATOM 349 OH TYR A1149 11.436 -11.173 6.795 1.00 10.31 O ATOM 350 HH TYR A1149 11.556 -11.570 5.896 1.00 0.00 H ATOM 351 H TYR A1149 13.600 -5.828 5.417 1.00 0.00 H ATOM 352 N GLN A1150 15.415 -3.452 7.091 1.00 7.03 N ATOM 353 CA GLN A1150 15.630 -2.126 7.611 1.00 7.64 C ATOM 354 C GLN A1150 14.471 -1.716 8.458 1.00 7.04 C ATOM 355 O GLN A1150 13.333 -2.096 8.195 1.00 7.99 O ATOM 356 CB GLN A1150 16.012 -1.124 6.582 1.00 8.19 C ATOM 357 CG GLN A1150 17.382 -1.456 5.953 1.00 10.10 C ATOM 358 CD GLN A1150 17.646 -0.720 4.653 1.00 12.37 C ATOM 359 OE1 GLN A1150 17.179 0.388 4.397 1.00 18.43 O ATOM 360 NE2 GLN A1150 18.452 -1.378 3.778 1.00 17.27 N ATOM 361 HE22 GLN A1150 18.832 -2.315 4.024 1.00 0.00 H ATOM 362 HE21 GLN A1150 18.689 -0.945 2.863 1.00 0.00 H ATOM 363 H GLN A1150 15.250 -3.563 6.070 1.00 0.00 H ATOM 364 N VAL A1151 14.763 -0.860 9.444 1.00 6.87 N ATOM 365 CA VAL A1151 13.789 -0.343 10.428 1.00 6.65 C ATOM 366 C VAL A1151 13.688 1.155 10.296 1.00 7.21 C ATOM 367 O VAL A1151 14.675 1.900 10.302 1.00 8.90 O ATOM 368 CB VAL A1151 14.177 -0.725 11.892 1.00 7.09 C ATOM 369 CG1 VAL A1151 13.202 -0.096 12.893 1.00 7.29 C ATOM 370 CG2 VAL A1151 14.227 -2.248 12.025 1.00 7.01 C ATOM 371 H VAL A1151 15.748 -0.535 9.524 1.00 0.00 H ATOM 372 N TYR A1152 12.445 1.597 10.105 1.00 6.49 N ATOM 373 CA TYR A1152 12.094 3.040 9.902 1.00 6.22 C ATOM 374 C TYR A1152 10.785 3.399 10.605 1.00 5.90 C ATOM 375 O TYR A1152 9.904 2.554 10.755 1.00 5.17 O ATOM 376 CB TYR A1152 11.996 3.446 8.419 1.00 6.56 C ATOM 377 CG TYR A1152 13.298 3.230 7.675 1.00 7.14 C ATOM 378 CD1 TYR A1152 14.393 4.075 7.909 1.00 7.62 C ATOM 379 CD2 TYR A1152 13.409 2.236 6.729 1.00 7.67 C ATOM 380 CE1 TYR A1152 15.599 3.886 7.230 1.00 8.05 C ATOM 381 CE2 TYR A1152 14.630 2.048 6.061 1.00 7.97 C ATOM 382 CZ TYR A1152 15.685 2.909 6.309 1.00 8.68 C ATOM 383 OH TYR A1152 16.876 2.692 5.636 1.00 11.30 O ATOM 384 HH TYR A1152 17.221 1.792 5.860 1.00 0.00 H ATOM 385 H TYR A1152 11.673 0.900 10.096 1.00 0.00 H ATOM 386 N CYS A1153 10.654 4.687 10.979 1.00 6.36 N ATOM 387 CA CYS A1153 9.478 5.118 11.718 1.00 6.98 C ATOM 388 C CYS A1153 8.184 5.304 10.901 1.00 6.48 C ATOM 389 O CYS A1153 8.190 5.456 9.673 1.00 6.39 O ATOM 390 CB CYS A1153 9.822 6.388 12.504 1.00 7.30 C ATOM 391 SG CYS A1153 10.148 7.860 11.475 1.00 7.92 S ATOM 392 H CYS A1153 11.396 5.375 10.738 1.00 0.00 H ATOM 393 N GLY A1154 7.087 5.285 11.678 1.00 6.96 N ATOM 394 CA GLY A1154 5.792 5.354 11.096 1.00 7.42 C ATOM 395 C GLY A1154 5.360 6.785 10.715 1.00 7.83 C ATOM 396 O GLY A1154 6.011 7.778 10.954 1.00 10.16 O ATOM 397 H GLY A1154 7.186 5.219 12.711 1.00 0.00 H ATOM 398 N ARG A1155 4.203 6.860 10.081 1.00 8.22 N ATOM 399 CA ARG A1155 3.661 8.053 9.535 1.00 10.10 C ATOM 400 C ARG A1155 3.372 9.158 10.531 1.00 10.23 C ATOM 401 O ARG A1155 3.370 10.379 10.154 1.00 13.83 O ATOM 402 CB ARG A1155 2.378 7.706 8.722 1.00 10.53 C ATOM 403 CG ARG A1155 1.216 7.144 9.526 1.00 12.05 C ATOM 404 CD ARG A1155 0.263 6.266 8.684 1.00 14.72 C ATOM 405 NE ARG A1155 -0.813 5.649 9.499 1.00 14.97 N ATOM 406 CZ ARG A1155 -0.666 4.663 10.376 1.00 16.56 C ATOM 407 NH1 ARG A1155 -1.714 4.185 11.041 1.00 21.20 N ATOM 408 NH2 ARG A1155 0.510 4.071 10.553 1.00 18.20 N ATOM 409 HE ARG A1155 -1.774 6.025 9.371 1.00 0.00 H ATOM 410 HH12 ARG A1155 -1.587 3.412 11.726 1.00 0.00 H ATOM 411 HH11 ARG A1155 -2.660 4.584 10.876 1.00 0.00 H ATOM 412 HH22 ARG A1155 0.605 3.300 11.245 1.00 0.00 H ATOM 413 HH21 ARG A1155 1.335 4.378 10.000 1.00 0.00 H ATOM 414 H ARG A1155 3.652 5.985 9.975 1.00 0.00 H ATOM 415 N TYR A1156 3.109 8.790 11.763 1.00 10.61 N ATOM 416 CA TYR A1156 2.823 9.778 12.809 1.00 12.15 C ATOM 417 C TYR A1156 4.080 10.321 13.477 1.00 13.17 C ATOM 418 O TYR A1156 3.992 11.310 14.233 1.00 13.47 O ATOM 419 CB TYR A1156 1.830 9.241 13.842 1.00 12.19 C ATOM 420 CG TYR A1156 0.472 8.904 13.256 1.00 11.35 C ATOM 421 CD1 TYR A1156 -0.242 9.834 12.445 1.00 11.41 C ATOM 422 CD2 TYR A1156 -0.053 7.696 13.426 1.00 11.84 C ATOM 423 CE1 TYR A1156 -1.452 9.543 11.886 1.00 12.53 C ATOM 424 CE2 TYR A1156 -1.287 7.364 12.897 1.00 12.24 C ATOM 425 CZ TYR A1156 -1.970 8.269 12.085 1.00 12.51 C ATOM 426 OH TYR A1156 -3.237 7.872 11.630 1.00 14.07 O ATOM 427 HH TYR A1156 -3.150 7.042 11.097 1.00 0.00 H ATOM 428 H TYR A1156 3.103 7.778 12.002 1.00 0.00 H ATOM 429 N ILE A1157 5.265 9.752 13.192 1.00 10.93 N ATOM 430 CA ILE A1157 6.562 10.284 13.714 1.00 10.16 C ATOM 431 C ILE A1157 7.158 11.110 12.572 1.00 9.75 C ATOM 432 O ILE A1157 6.611 12.209 12.215 1.00 11.99 O ATOM 433 CB ILE A1157 7.452 9.176 14.342 1.00 10.16 C ATOM 434 CG1 ILE A1157 6.649 8.297 15.305 1.00 11.35 C ATOM 435 CG2 ILE A1157 8.692 9.770 15.050 1.00 10.99 C ATOM 436 CD1 ILE A1157 6.015 9.030 16.461 1.00 11.55 C ATOM 437 H ILE A1157 5.280 8.908 12.584 1.00 0.00 H ATOM 438 N ASN A1158 8.088 10.553 11.825 1.00 9.34 N ATOM 439 CA ASN A1158 8.667 11.288 10.688 1.00 9.55 C ATOM 440 C ASN A1158 8.552 10.606 9.340 1.00 9.71 C ATOM 441 O ASN A1158 9.161 11.078 8.349 1.00 11.82 O ATOM 442 CB ASN A1158 10.128 11.566 10.990 1.00 10.96 C ATOM 443 CG ASN A1158 10.317 12.416 12.241 1.00 11.91 C ATOM 444 OD1 ASN A1158 9.647 13.445 12.376 1.00 15.76 O ATOM 445 ND2 ASN A1158 11.224 12.023 13.123 1.00 11.98 N ATOM 446 HD22 ASN A1158 11.761 11.147 12.961 1.00 0.00 H ATOM 447 HD21 ASN A1158 11.399 12.590 13.977 1.00 0.00 H ATOM 448 H ASN A1158 8.415 9.589 12.039 1.00 0.00 H ATOM 449 N GLY A1159 7.679 9.616 9.272 1.00 9.12 N ATOM 450 CA GLY A1159 7.301 9.006 7.960 1.00 8.91 C ATOM 451 C GLY A1159 8.437 8.333 7.204 1.00 8.61 C ATOM 452 O GLY A1159 8.437 8.275 5.960 1.00 10.24 O ATOM 453 H GLY A1159 7.247 9.255 10.146 1.00 0.00 H ATOM 454 N HIS A1160 9.425 7.792 7.877 1.00 8.67 N ATOM 455 CA HIS A1160 10.603 7.273 7.175 1.00 8.99 C ATOM 456 C HIS A1160 10.282 5.949 6.530 1.00 8.26 C ATOM 457 O HIS A1160 10.848 5.628 5.496 1.00 8.97 O ATOM 458 CB HIS A1160 11.861 7.288 8.058 1.00 9.38 C ATOM 459 CG HIS A1160 12.345 8.684 8.316 1.00 9.57 C ATOM 460 ND1 HIS A1160 12.593 9.232 9.563 1.00 9.49 N ATOM 461 CD2 HIS A1160 12.613 9.672 7.416 1.00 10.70 C ATOM 462 CE1 HIS A1160 12.984 10.496 9.411 1.00 9.60 C ATOM 463 NE2 HIS A1160 12.976 10.806 8.129 1.00 10.04 N ATOM 464 H HIS A1160 9.372 7.731 8.914 1.00 0.00 H ATOM 465 N MET A1161 9.404 5.130 7.095 1.00 7.88 N ATOM 466 CA MET A1161 9.063 3.858 6.439 1.00 7.11 C ATOM 467 C MET A1161 8.301 4.109 5.101 1.00 7.46 C ATOM 468 O MET A1161 8.548 3.475 4.070 1.00 7.41 O ATOM 469 CB MET A1161 8.322 2.848 7.322 1.00 6.94 C ATOM 470 CG MET A1161 8.199 1.457 6.677 1.00 6.63 C ATOM 471 SD MET A1161 9.805 0.761 6.178 1.00 6.96 S ATOM 472 CE MET A1161 10.188 -0.110 7.734 1.00 7.70 C ATOM 473 H MET A1161 8.958 5.387 7.999 1.00 0.00 H ATOM 474 N LEU A1162 7.385 5.051 5.135 1.00 8.18 N ATOM 475 CA LEU A1162 6.764 5.503 3.864 1.00 9.30 C ATOM 476 C LEU A1162 7.811 5.950 2.848 1.00 8.65 C ATOM 477 O LEU A1162 7.757 5.577 1.659 1.00 8.74 O ATOM 478 CB LEU A1162 5.692 6.584 4.123 1.00 11.87 C ATOM 479 CG LEU A1162 4.970 7.025 2.865 1.00 14.73 C ATOM 480 CD1 LEU A1162 4.151 5.963 2.151 1.00 14.13 C ATOM 481 CD2 LEU A1162 4.145 8.304 3.270 1.00 15.92 C ATOM 482 H LEU A1162 7.099 5.475 6.041 1.00 0.00 H ATOM 483 N GLN A1163 8.784 6.713 3.275 1.00 8.92 N ATOM 484 CA GLN A1163 9.889 7.130 2.376 1.00 9.43 C ATOM 485 C GLN A1163 10.651 5.925 1.877 1.00 9.15 C ATOM 486 O GLN A1163 10.989 5.831 0.677 1.00 9.61 O ATOM 487 CB GLN A1163 10.777 8.146 3.124 1.00 12.10 C ATOM 488 CG GLN A1163 12.004 8.590 2.401 1.00 15.03 C ATOM 489 CD GLN A1163 12.817 9.551 3.282 1.00 18.42 C ATOM 490 OE1 GLN A1163 12.270 10.549 3.718 1.00 22.50 O ATOM 491 NE2 GLN A1163 14.008 9.119 3.728 1.00 23.21 N ATOM 492 HE22 GLN A1163 14.434 8.261 3.324 1.00 0.00 H ATOM 493 HE21 GLN A1163 14.504 9.643 4.477 1.00 0.00 H ATOM 494 H GLN A1163 8.783 7.034 4.264 1.00 0.00 H ATOM 495 N HIS A1164 10.947 4.958 2.743 1.00 7.40 N ATOM 496 CA HIS A1164 11.630 3.739 2.309 1.00 8.17 C ATOM 497 C HIS A1164 10.790 3.016 1.253 1.00 7.58 C ATOM 498 O HIS A1164 11.310 2.591 0.227 1.00 8.73 O ATOM 499 CB HIS A1164 11.871 2.807 3.514 1.00 7.81 C ATOM 500 CG HIS A1164 12.476 1.508 3.141 1.00 7.83 C ATOM 501 ND1 HIS A1164 13.741 1.434 2.581 1.00 8.61 N ATOM 502 CD2 HIS A1164 11.978 0.253 3.150 1.00 7.47 C ATOM 503 CE1 HIS A1164 14.017 0.133 2.412 1.00 7.84 C ATOM 504 NE2 HIS A1164 12.947 -0.593 2.659 1.00 8.93 N ATOM 505 H HIS A1164 10.689 5.071 3.744 1.00 0.00 H ATOM 506 N HIS A1165 9.510 2.925 1.484 1.00 8.10 N ATOM 507 CA HIS A1165 8.609 2.291 0.479 1.00 7.50 C ATOM 508 C HIS A1165 8.762 2.991 -0.875 1.00 8.49 C ATOM 509 O HIS A1165 8.841 2.338 -1.949 1.00 7.82 O ATOM 510 CB HIS A1165 7.142 2.288 0.893 1.00 8.16 C ATOM 511 CG HIS A1165 6.252 1.940 -0.242 1.00 7.56 C ATOM 512 ND1 HIS A1165 6.188 0.674 -0.784 1.00 7.52 N ATOM 513 CD2 HIS A1165 5.471 2.745 -1.023 1.00 7.54 C ATOM 514 CE1 HIS A1165 5.400 0.724 -1.844 1.00 8.99 C ATOM 515 NE2 HIS A1165 4.977 1.973 -2.032 1.00 7.91 N ATOM 516 H HIS A1165 9.116 3.296 2.372 1.00 0.00 H ATOM 517 N GLY A1166 8.764 4.326 -0.833 1.00 8.05 N ATOM 518 CA GLY A1166 8.823 5.047 -2.080 1.00 8.75 C ATOM 519 C GLY A1166 10.160 4.890 -2.765 1.00 8.57 C ATOM 520 O GLY A1166 10.206 4.912 -4.019 1.00 9.26 O ATOM 521 H GLY A1166 8.724 4.832 0.075 1.00 0.00 H ATOM 522 N ASN A1167 11.258 4.826 -2.013 1.00 9.32 N ATOM 523 CA ASN A1167 12.581 4.793 -2.696 1.00 10.51 C ATOM 524 C ASN A1167 13.111 3.402 -2.991 1.00 10.55 C ATOM 525 O ASN A1167 14.122 3.212 -3.714 1.00 9.91 O ATOM 526 CB ASN A1167 13.608 5.679 -1.975 1.00 13.13 C ATOM 527 CG ASN A1167 13.995 5.131 -0.584 1.00 14.49 C ATOM 528 OD1 ASN A1167 14.196 3.946 -0.429 1.00 15.78 O ATOM 529 ND2 ASN A1167 14.208 6.064 0.409 1.00 14.48 N ATOM 530 HD22 ASN A1167 14.020 7.070 0.226 1.00 0.00 H ATOM 531 HD21 ASN A1167 14.556 5.761 1.341 1.00 0.00 H ATOM 532 H ASN A1167 11.193 4.800 -0.975 1.00 0.00 H ATOM 533 N SER A1168 12.414 2.380 -2.484 1.00 8.59 N ATOM 534 CA SER A1168 12.802 1.016 -2.695 1.00 8.73 C ATOM 535 C SER A1168 11.749 0.208 -3.491 1.00 8.77 C ATOM 536 O SER A1168 12.092 -0.876 -4.072 1.00 9.56 O ATOM 537 CB SER A1168 13.064 0.233 -1.394 1.00 8.73 C ATOM 538 OG SER A1168 11.860 0.101 -0.647 1.00 9.16 O ATOM 539 HG SER A1168 11.514 1.000 -0.420 1.00 0.00 H ATOM 540 H SER A1168 11.564 2.581 -1.919 1.00 0.00 H ATOM 541 N GLY A1169 10.477 0.591 -3.300 1.00 8.27 N ATOM 542 CA GLY A1169 9.323 -0.163 -3.719 1.00 8.75 C ATOM 543 C GLY A1169 8.954 -1.355 -2.891 1.00 8.40 C ATOM 544 O GLY A1169 8.082 -2.111 -3.236 1.00 9.13 O ATOM 545 H GLY A1169 10.313 1.496 -2.815 1.00 0.00 H ATOM 546 N HIS A1170 9.665 -1.573 -1.777 1.00 7.59 N ATOM 547 CA HIS A1170 9.368 -2.726 -0.948 1.00 7.08 C ATOM 548 C HIS A1170 7.958 -2.595 -0.370 1.00 6.79 C ATOM 549 O HIS A1170 7.561 -1.526 0.097 1.00 7.85 O ATOM 550 CB HIS A1170 10.400 -2.905 0.158 1.00 6.88 C ATOM 551 CG HIS A1170 11.760 -3.192 -0.341 1.00 7.44 C ATOM 552 ND1 HIS A1170 12.897 -3.111 0.446 1.00 7.30 N ATOM 553 CD2 HIS A1170 12.177 -3.577 -1.570 1.00 7.97 C ATOM 554 CE1 HIS A1170 13.949 -3.494 -0.278 1.00 7.70 C ATOM 555 NE2 HIS A1170 13.522 -3.808 -1.489 1.00 7.68 N ATOM 556 H HIS A1170 10.427 -0.918 -1.507 1.00 0.00 H ATOM 557 N PRO A1171 7.179 -3.680 -0.516 1.00 7.08 N ATOM 558 CA PRO A1171 5.771 -3.562 -0.232 1.00 7.00 C ATOM 559 C PRO A1171 5.264 -3.631 1.205 1.00 6.59 C ATOM 560 O PRO A1171 4.336 -2.881 1.576 1.00 6.94 O ATOM 561 CB PRO A1171 5.153 -4.715 -1.026 1.00 7.35 C ATOM 562 CG PRO A1171 6.230 -5.733 -1.074 1.00 7.16 C ATOM 563 CD PRO A1171 7.513 -4.982 -1.175 1.00 6.98 C ATOM 564 N LEU A1172 5.791 -4.590 1.956 1.00 6.93 N ATOM 565 CA LEU A1172 5.198 -5.026 3.208 1.00 7.18 C ATOM 566 C LEU A1172 6.075 -4.713 4.368 1.00 6.91 C ATOM 567 O LEU A1172 7.282 -4.981 4.332 1.00 7.47 O ATOM 568 CB LEU A1172 4.927 -6.505 3.133 1.00 7.00 C ATOM 569 CG LEU A1172 3.638 -6.896 2.400 1.00 7.92 C ATOM 570 CD1 LEU A1172 3.712 -8.245 1.658 1.00 9.20 C ATOM 571 CD2 LEU A1172 2.477 -6.930 3.386 1.00 8.59 C ATOM 572 H LEU A1172 6.667 -5.049 1.634 1.00 0.00 H ATOM 573 N VAL A1173 5.471 -4.188 5.425 1.00 6.75 N ATOM 574 CA VAL A1173 6.196 -3.807 6.627 1.00 7.09 C ATOM 575 C VAL A1173 5.431 -4.274 7.881 1.00 7.06 C ATOM 576 O VAL A1173 4.210 -4.395 7.848 1.00 7.62 O ATOM 577 CB VAL A1173 6.395 -2.267 6.676 1.00 7.08 C ATOM 578 CG1 VAL A1173 7.257 -1.842 5.487 1.00 7.94 C ATOM 579 CG2 VAL A1173 5.062 -1.519 6.633 1.00 7.33 C ATOM 580 H VAL A1173 4.442 -4.043 5.394 1.00 0.00 H ATOM 581 N LEU A1174 6.169 -4.550 8.940 1.00 7.01 N ATOM 582 CA LEU A1174 5.668 -5.082 10.204 1.00 8.24 C ATOM 583 C LEU A1174 5.845 -4.056 11.299 1.00 7.80 C ATOM 584 O LEU A1174 6.935 -3.543 11.506 1.00 8.07 O ATOM 585 CB LEU A1174 6.389 -6.382 10.469 1.00 10.00 C ATOM 586 CG LEU A1174 5.974 -7.099 11.777 1.00 11.32 C ATOM 587 CD1 LEU A1174 4.599 -7.735 11.708 1.00 13.52 C ATOM 588 CD2 LEU A1174 7.058 -8.075 12.182 1.00 13.12 C ATOM 589 H LEU A1174 7.191 -4.374 8.868 1.00 0.00 H ATOM 590 N SER A1175 4.764 -3.791 12.030 1.00 7.38 N ATOM 591 CA SER A1175 4.775 -2.844 13.180 1.00 7.53 C ATOM 592 C SER A1175 5.417 -3.472 14.409 1.00 7.96 C ATOM 593 O SER A1175 5.026 -4.552 14.889 1.00 7.37 O ATOM 594 CB SER A1175 3.317 -2.558 13.531 1.00 7.54 C ATOM 595 OG SER A1175 3.343 -1.739 14.720 1.00 9.36 O ATOM 596 HG SER A1175 3.836 -0.901 14.532 1.00 0.00 H ATOM 597 H SER A1175 3.872 -4.267 11.787 1.00 0.00 H ATOM 598 N TYR A1176 6.383 -2.743 14.989 1.00 7.80 N ATOM 599 CA TYR A1176 6.947 -3.132 16.284 1.00 8.20 C ATOM 600 C TYR A1176 6.052 -2.747 17.450 1.00 9.38 C ATOM 601 O TYR A1176 6.331 -3.184 18.570 1.00 11.30 O ATOM 602 CB TYR A1176 8.334 -2.609 16.393 1.00 7.39 C ATOM 603 CG TYR A1176 9.352 -3.384 15.601 1.00 7.68 C ATOM 604 CD1 TYR A1176 9.165 -4.744 15.210 1.00 7.58 C ATOM 605 CD2 TYR A1176 10.576 -2.797 15.266 1.00 7.39 C ATOM 606 CE1 TYR A1176 10.187 -5.465 14.596 1.00 7.90 C ATOM 607 CE2 TYR A1176 11.602 -3.536 14.666 1.00 7.52 C ATOM 608 CZ TYR A1176 11.397 -4.850 14.333 1.00 7.58 C ATOM 609 OH TYR A1176 12.312 -5.662 13.741 1.00 9.32 O ATOM 610 HH TYR A1176 13.111 -5.734 14.321 1.00 0.00 H ATOM 611 H TYR A1176 6.737 -1.889 14.512 1.00 0.00 H ATOM 612 N ILE A1177 4.965 -2.030 17.215 1.00 10.77 N ATOM 613 CA ILE A1177 4.014 -1.708 18.276 1.00 12.08 C ATOM 614 C ILE A1177 2.986 -2.825 18.459 1.00 12.13 C ATOM 615 O ILE A1177 2.726 -3.202 19.600 1.00 16.25 O ATOM 616 CB ILE A1177 3.215 -0.418 17.981 1.00 16.50 C ATOM 617 CG1 ILE A1177 4.098 0.856 17.915 1.00 21.83 C ATOM 618 CG2 ILE A1177 2.058 -0.246 18.942 1.00 18.66 C ATOM 619 CD1 ILE A1177 5.363 0.890 18.700 1.00 24.70 C ATOM 620 H ILE A1177 4.783 -1.687 16.250 1.00 0.00 H ATOM 621 N ASP A1178 2.397 -3.334 17.374 1.00 11.43 N ATOM 622 CA ASP A1178 1.319 -4.383 17.503 1.00 12.56 C ATOM 623 C ASP A1178 1.429 -5.570 16.562 1.00 11.85 C ATOM 624 O ASP A1178 0.503 -6.380 16.466 1.00 12.94 O ATOM 625 CB ASP A1178 -0.077 -3.698 17.272 1.00 14.68 C ATOM 626 CG ASP A1178 -0.321 -3.379 15.854 1.00 17.10 C ATOM 627 OD1 ASP A1178 0.593 -3.453 15.021 1.00 13.65 O ATOM 628 OD2 ASP A1178 -1.453 -3.009 15.551 1.00 23.01 O ATOM 629 H ASP A1178 2.684 -3.004 16.430 1.00 0.00 H ATOM 630 N LEU A1179 2.543 -5.690 15.818 1.00 10.03 N ATOM 631 CA LEU A1179 2.845 -6.840 14.959 1.00 10.35 C ATOM 632 C LEU A1179 1.860 -7.017 13.829 1.00 10.82 C ATOM 633 O LEU A1179 1.728 -8.106 13.291 1.00 11.17 O ATOM 634 CB LEU A1179 2.970 -8.145 15.820 1.00 10.56 C ATOM 635 CG LEU A1179 3.926 -8.080 17.000 1.00 12.05 C ATOM 636 CD1 LEU A1179 4.075 -9.411 17.698 1.00 12.45 C ATOM 637 CD2 LEU A1179 5.337 -7.583 16.676 1.00 12.77 C ATOM 638 H LEU A1179 3.237 -4.916 15.854 1.00 0.00 H ATOM 639 N SER A1180 1.230 -5.933 13.423 1.00 11.11 N ATOM 640 CA SER A1180 0.401 -5.931 12.231 1.00 9.69 C ATOM 641 C SER A1180 1.374 -5.780 11.039 1.00 9.50 C ATOM 642 O SER A1180 2.419 -5.137 11.147 1.00 10.36 O ATOM 643 CB SER A1180 -0.596 -4.812 12.249 1.00 11.38 C ATOM 644 OG SER A1180 -0.048 -3.522 12.372 1.00 15.06 O ATOM 645 HG SER A1180 0.461 -3.460 13.219 1.00 0.00 H ATOM 646 H SER A1180 1.329 -5.055 13.971 1.00 0.00 H ATOM 647 N ALA A1181 0.936 -6.229 9.882 1.00 8.38 N ATOM 648 CA ALA A1181 1.662 -6.130 8.579 1.00 8.27 C ATOM 649 C ALA A1181 0.832 -5.354 7.603 1.00 8.00 C ATOM 650 O ALA A1181 -0.331 -5.687 7.352 1.00 8.64 O ATOM 651 CB ALA A1181 1.979 -7.546 8.001 1.00 8.97 C ATOM 652 H ALA A1181 0.005 -6.692 9.873 1.00 0.00 H ATOM 653 N TRP A1182 1.418 -4.270 7.051 1.00 6.65 N ATOM 654 CA TRP A1182 0.767 -3.356 6.100 1.00 6.63 C ATOM 655 C TRP A1182 1.438 -3.464 4.799 1.00 6.84 C ATOM 656 O TRP A1182 2.658 -3.534 4.700 1.00 6.72 O ATOM 657 CB TRP A1182 0.936 -1.899 6.615 1.00 6.58 C ATOM 658 CG TRP A1182 0.378 -0.824 5.725 1.00 6.94 C ATOM 659 CD1 TRP A1182 1.015 -0.088 4.860 1.00 6.73 C ATOM 660 CD2 TRP A1182 -1.015 -0.462 5.652 1.00 6.92 C ATOM 661 NE1 TRP A1182 0.138 0.804 4.245 1.00 8.26 N ATOM 662 CE2 TRP A1182 -1.120 0.571 4.734 1.00 7.12 C ATOM 663 CE3 TRP A1182 -2.155 -0.890 6.361 1.00 7.40 C ATOM 664 CZ2 TRP A1182 -2.351 1.225 4.517 1.00 7.40 C ATOM 665 CZ3 TRP A1182 -3.384 -0.287 6.097 1.00 7.58 C ATOM 666 CH2 TRP A1182 -3.444 0.720 5.189 1.00 7.53 C ATOM 667 HE1 TRP A1182 0.394 1.522 3.538 1.00 0.00 H ATOM 668 H TRP A1182 2.402 -4.066 7.318 1.00 0.00 H ATOM 669 N CYS A1183 0.611 -3.507 3.764 1.00 6.77 N ATOM 670 CA CYS A1183 1.082 -3.415 2.400 1.00 7.00 C ATOM 671 C CYS A1183 0.809 -2.019 1.867 1.00 6.80 C ATOM 672 O CYS A1183 -0.326 -1.605 1.716 1.00 7.10 O ATOM 673 CB CYS A1183 0.379 -4.393 1.460 1.00 6.67 C ATOM 674 SG CYS A1183 1.029 -4.358 -0.255 1.00 6.01 S ATOM 675 H CYS A1183 -0.409 -3.610 3.939 1.00 0.00 H ATOM 676 N TYR A1184 1.855 -1.366 1.382 1.00 6.71 N ATOM 677 CA TYR A1184 1.730 0.017 0.877 1.00 7.01 C ATOM 678 C TYR A1184 1.075 0.058 -0.505 1.00 7.36 C ATOM 679 O TYR A1184 0.551 1.127 -0.899 1.00 9.41 O ATOM 680 CB TYR A1184 3.104 0.700 0.803 1.00 7.09 C ATOM 681 CG TYR A1184 3.679 1.123 2.100 1.00 7.66 C ATOM 682 CD1 TYR A1184 3.243 2.301 2.750 1.00 7.50 C ATOM 683 CD2 TYR A1184 4.685 0.391 2.709 1.00 7.35 C ATOM 684 CE1 TYR A1184 3.757 2.663 3.969 1.00 7.52 C ATOM 685 CE2 TYR A1184 5.229 0.806 3.894 1.00 7.13 C ATOM 686 CZ TYR A1184 4.743 1.910 4.526 1.00 8.37 C ATOM 687 OH TYR A1184 5.336 2.310 5.709 1.00 9.93 O ATOM 688 HH TYR A1184 4.879 3.120 6.048 1.00 0.00 H ATOM 689 H TYR A1184 2.782 -1.836 1.356 1.00 0.00 H ATOM 690 N TYR A1185 1.143 -1.050 -1.286 1.00 6.75 N ATOM 691 CA TYR A1185 0.482 -1.061 -2.608 1.00 7.10 C ATOM 692 C TYR A1185 -0.976 -1.302 -2.415 1.00 7.65 C ATOM 693 O TYR A1185 -1.831 -0.581 -2.959 1.00 8.45 O ATOM 694 CB TYR A1185 1.088 -2.129 -3.472 1.00 7.88 C ATOM 695 CG TYR A1185 2.510 -1.888 -3.934 1.00 8.45 C ATOM 696 CD1 TYR A1185 2.779 -1.042 -4.971 1.00 9.85 C ATOM 697 CD2 TYR A1185 3.558 -2.516 -3.342 1.00 8.74 C ATOM 698 CE1 TYR A1185 4.077 -0.865 -5.437 1.00 10.02 C ATOM 699 CE2 TYR A1185 4.852 -2.343 -3.794 1.00 8.87 C ATOM 700 CZ TYR A1185 5.106 -1.509 -4.818 1.00 10.28 C ATOM 701 OH TYR A1185 6.424 -1.369 -5.228 1.00 10.48 O ATOM 702 HH TYR A1185 6.968 -1.028 -4.475 1.00 0.00 H ATOM 703 H TYR A1185 1.659 -1.890 -0.955 1.00 0.00 H ATOM 704 N CYS A1186 -1.309 -2.353 -1.650 1.00 7.66 N ATOM 705 CA CYS A1186 -2.728 -2.676 -1.412 1.00 7.43 C ATOM 706 C CYS A1186 -3.399 -1.687 -0.469 1.00 8.57 C ATOM 707 O CYS A1186 -4.651 -1.700 -0.415 1.00 9.52 O ATOM 708 CB CYS A1186 -2.813 -4.127 -0.896 1.00 7.56 C ATOM 709 SG CYS A1186 -2.231 -5.388 -2.111 1.00 7.57 S ATOM 710 H CYS A1186 -0.565 -2.941 -1.224 1.00 0.00 H ATOM 711 N GLN A1187 -2.640 -0.903 0.280 1.00 8.47 N ATOM 712 CA GLN A1187 -3.158 0.019 1.291 1.00 8.81 C ATOM 713 C GLN A1187 -4.125 -0.722 2.244 1.00 7.80 C ATOM 714 O GLN A1187 -5.270 -0.341 2.473 1.00 8.77 O ATOM 715 CB GLN A1187 -3.752 1.279 0.665 1.00 10.66 C ATOM 716 CG GLN A1187 -2.735 2.065 -0.064 1.00 13.52 C ATOM 717 CD GLN A1187 -3.369 3.339 -0.627 1.00 18.55 C ATOM 718 OE1 GLN A1187 -3.727 3.388 -1.780 1.00 28.04 O ATOM 719 NE2 GLN A1187 -3.540 4.333 0.211 1.00 22.13 N ATOM 720 HE22 GLN A1187 -3.215 4.245 1.195 1.00 0.00 H ATOM 721 HE21 GLN A1187 -4.000 5.209 -0.108 1.00 0.00 H ATOM 722 H GLN A1187 -1.610 -0.945 0.141 1.00 0.00 H ATOM 723 N ALA A1188 -3.572 -1.772 2.819 1.00 7.04 N ATOM 724 CA ALA A1188 -4.300 -2.734 3.703 1.00 7.41 C ATOM 725 C ALA A1188 -3.401 -3.532 4.553 1.00 6.93 C ATOM 726 O ALA A1188 -2.232 -3.782 4.200 1.00 7.17 O ATOM 727 CB ALA A1188 -5.216 -3.653 2.909 1.00 8.75 C ATOM 728 H ALA A1188 -2.561 -1.943 2.646 1.00 0.00 H ATOM 729 N TYR A1189 -3.934 -3.947 5.680 1.00 9.05 N ATOM 730 CA TYR A1189 -3.305 -4.970 6.508 1.00 8.43 C ATOM 731 C TYR A1189 -3.524 -6.354 5.920 1.00 8.97 C ATOM 732 O TYR A1189 -4.523 -6.581 5.282 1.00 7.82 O ATOM 733 CB TYR A1189 -3.848 -4.949 7.936 1.00 8.91 C ATOM 734 CG TYR A1189 -3.459 -3.724 8.741 1.00 9.57 C ATOM 735 CD1 TYR A1189 -2.196 -3.577 9.228 1.00 12.09 C ATOM 736 CD2 TYR A1189 -4.391 -2.727 8.935 1.00 10.93 C ATOM 737 CE1 TYR A1189 -1.872 -2.411 9.969 1.00 13.16 C ATOM 738 CE2 TYR A1189 -4.091 -1.568 9.620 1.00 13.83 C ATOM 739 CZ TYR A1189 -2.821 -1.465 10.116 1.00 13.65 C ATOM 740 OH TYR A1189 -2.469 -0.337 10.840 1.00 19.70 O ATOM 741 HH TYR A1189 -1.525 -0.412 11.128 1.00 0.00 H ATOM 742 H TYR A1189 -4.835 -3.532 5.992 1.00 0.00 H ATOM 743 N VAL A1190 -2.585 -7.228 6.119 1.00 8.01 N ATOM 744 CA VAL A1190 -2.573 -8.540 5.493 1.00 9.72 C ATOM 745 C VAL A1190 -2.220 -9.522 6.582 1.00 12.25 C ATOM 746 O VAL A1190 -1.312 -9.279 7.413 1.00 11.58 O ATOM 747 CB VAL A1190 -1.559 -8.626 4.341 1.00 9.14 C ATOM 748 CG1 VAL A1190 -1.554 -10.021 3.698 1.00 8.09 C ATOM 749 CG2 VAL A1190 -1.847 -7.594 3.315 1.00 8.77 C ATOM 750 H VAL A1190 -1.803 -6.977 6.757 1.00 0.00 H ATOM 751 N HIS A1191 -2.869 -10.656 6.596 1.00 12.25 N ATOM 752 CA HIS A1191 -2.298 -11.735 7.372 1.00 12.77 C ATOM 753 C HIS A1191 -2.429 -12.992 6.572 1.00 12.24 C ATOM 754 O HIS A1191 -3.416 -13.245 5.905 1.00 14.01 O ATOM 755 CB HIS A1191 -2.913 -11.928 8.743 1.00 12.42 C ATOM 756 CG HIS A1191 -2.283 -13.063 9.486 1.00 12.56 C ATOM 757 ND1 HIS A1191 -1.015 -12.968 10.013 1.00 11.70 N ATOM 758 CD2 HIS A1191 -2.658 -14.350 9.632 1.00 12.41 C ATOM 759 CE1 HIS A1191 -0.663 -14.128 10.506 1.00 12.51 C ATOM 760 NE2 HIS A1191 -1.629 -14.997 10.268 1.00 13.11 N ATOM 761 H HIS A1191 -3.759 -10.778 6.071 1.00 0.00 H ATOM 762 N HIS A1192 -1.403 -13.766 6.695 1.00 12.76 N ATOM 763 CA HIS A1192 -1.271 -14.971 5.891 1.00 13.26 C ATOM 764 C HIS A1192 -0.337 -15.855 6.639 1.00 14.59 C ATOM 765 O HIS A1192 0.570 -15.368 7.336 1.00 14.28 O ATOM 766 CB HIS A1192 -0.778 -14.593 4.470 1.00 14.07 C ATOM 767 CG HIS A1192 -0.797 -15.724 3.518 1.00 14.58 C ATOM 768 ND1 HIS A1192 0.298 -16.542 3.339 1.00 16.68 N ATOM 769 CD2 HIS A1192 -1.773 -16.205 2.702 1.00 16.61 C ATOM 770 CE1 HIS A1192 -0.006 -17.475 2.440 1.00 18.13 C ATOM 771 NE2 HIS A1192 -1.270 -17.322 2.082 1.00 17.27 N ATOM 772 H HIS A1192 -0.659 -13.524 7.380 1.00 0.00 H ATOM 773 N GLN A1193 -0.426 -17.164 6.367 1.00 16.02 N ATOM 774 CA GLN A1193 0.540 -18.128 6.893 1.00 18.07 C ATOM 775 C GLN A1193 1.989 -17.681 6.586 1.00 16.37 C ATOM 776 O GLN A1193 2.846 -17.900 7.417 1.00 17.43 O ATOM 777 CB GLN A1193 0.223 -19.542 6.275 1.00 22.02 C ATOM 778 CG GLN A1193 0.954 -20.713 6.881 1.00 27.03 C ATOM 779 CD GLN A1193 0.374 -22.077 6.428 1.00 27.34 C ATOM 780 OE1 GLN A1193 -0.435 -22.157 5.488 1.00 30.99 O ATOM 781 NE2 GLN A1193 0.795 -23.148 7.107 1.00 30.08 N ATOM 782 HE22 GLN A1193 1.473 -23.035 7.887 1.00 0.00 H ATOM 783 HE21 GLN A1193 0.444 -24.094 6.855 1.00 0.00 H ATOM 784 H GLN A1193 -1.203 -17.504 5.765 1.00 0.00 H ATOM 785 N ALA A1194 2.280 -17.049 5.428 1.00 17.67 N ATOM 786 CA ALA A1194 3.630 -16.581 5.023 1.00 15.96 C ATOM 787 C ALA A1194 4.228 -15.509 5.972 1.00 15.45 C ATOM 788 O ALA A1194 5.403 -15.207 5.913 1.00 18.81 O ATOM 789 CB ALA A1194 3.663 -16.042 3.571 1.00 17.85 C ATOM 790 H ALA A1194 1.496 -16.876 4.767 1.00 0.00 H ATOM 791 N LEU A1195 3.382 -14.914 6.770 1.00 13.17 N ATOM 792 CA LEU A1195 3.797 -13.907 7.758 1.00 13.03 C ATOM 793 C LEU A1195 3.942 -14.481 9.166 1.00 14.24 C ATOM 794 O LEU A1195 4.409 -13.758 10.071 1.00 12.57 O ATOM 795 CB LEU A1195 2.758 -12.747 7.765 1.00 13.15 C ATOM 796 CG LEU A1195 2.543 -12.008 6.479 1.00 13.51 C ATOM 797 CD1 LEU A1195 1.505 -10.898 6.440 1.00 14.30 C ATOM 798 CD2 LEU A1195 3.860 -11.532 5.985 1.00 14.97 C ATOM 799 H LEU A1195 2.374 -15.163 6.704 1.00 0.00 H ATOM 800 N LEU A1196 3.591 -15.756 9.429 1.00 13.95 N ATOM 801 CA LEU A1196 3.650 -16.234 10.800 1.00 14.57 C ATOM 802 C LEU A1196 5.073 -16.289 11.342 1.00 14.40 C ATOM 803 O LEU A1196 5.227 -15.987 12.471 1.00 13.76 O ATOM 804 CB LEU A1196 2.893 -17.605 11.040 1.00 15.57 C ATOM 805 CG LEU A1196 1.374 -17.579 10.856 1.00 16.98 C ATOM 806 CD1 LEU A1196 0.706 -18.978 10.870 1.00 18.14 C ATOM 807 CD2 LEU A1196 0.739 -16.808 11.989 1.00 19.16 C ATOM 808 H LEU A1196 3.283 -16.388 8.662 1.00 0.00 H ATOM 809 N ASP A1197 6.062 -16.746 10.597 1.00 17.71 N ATOM 810 CA ASP A1197 7.408 -16.906 11.125 1.00 17.30 C ATOM 811 C ASP A1197 7.929 -15.562 11.566 1.00 15.63 C ATOM 812 O ASP A1197 8.461 -15.405 12.667 1.00 16.95 O ATOM 813 CB ASP A1197 8.400 -17.517 10.107 1.00 20.66 C ATOM 814 CG ASP A1197 8.248 -19.012 9.952 1.00 26.91 C ATOM 815 OD1 ASP A1197 7.616 -19.666 10.827 1.00 27.88 O ATOM 816 OD2 ASP A1197 8.818 -19.530 8.951 1.00 34.48 O ATOM 817 H ASP A1197 5.874 -16.999 9.606 1.00 0.00 H ATOM 818 N VAL A1198 7.712 -14.532 10.754 1.00 13.83 N ATOM 819 CA VAL A1198 8.319 -13.286 11.122 1.00 12.86 C ATOM 820 C VAL A1198 7.553 -12.661 12.345 1.00 11.07 C ATOM 821 O VAL A1198 8.147 -12.013 13.257 1.00 10.06 O ATOM 822 CB VAL A1198 8.449 -12.338 9.912 1.00 13.05 C ATOM 823 CG1 VAL A1198 7.112 -11.771 9.487 1.00 13.20 C ATOM 824 CG2 VAL A1198 9.369 -11.209 10.264 1.00 13.31 C ATOM 825 H VAL A1198 7.132 -14.625 9.896 1.00 0.00 H ATOM 826 N LYS A1199 6.223 -12.800 12.348 1.00 10.34 N ATOM 827 CA LYS A1199 5.414 -12.342 13.474 1.00 9.49 C ATOM 828 C LYS A1199 5.798 -13.051 14.758 1.00 9.71 C ATOM 829 O LYS A1199 5.973 -12.422 15.804 1.00 10.70 O ATOM 830 CB LYS A1199 3.929 -12.447 13.237 1.00 9.28 C ATOM 831 CG LYS A1199 3.478 -11.386 12.245 1.00 9.88 C ATOM 832 CD LYS A1199 1.991 -11.467 12.028 1.00 9.90 C ATOM 833 CE LYS A1199 1.502 -10.428 11.018 1.00 10.49 C ATOM 834 NZ LYS A1199 -0.003 -10.380 11.043 1.00 11.20 N ATOM 835 HZ1 LYS A1199 -0.383 -11.315 10.793 1.00 0.00 H ATOM 836 HZ2 LYS A1199 -0.324 -10.118 11.997 1.00 0.00 H ATOM 837 HZ3 LYS A1199 -0.338 -9.674 10.357 1.00 0.00 H ATOM 838 H LYS A1199 5.755 -13.243 11.532 1.00 0.00 H ATOM 839 N ASN A1200 6.035 -14.353 14.663 1.00 10.28 N ATOM 840 CA ASN A1200 6.380 -15.124 15.850 1.00 11.04 C ATOM 841 C ASN A1200 7.754 -14.725 16.382 1.00 10.41 C ATOM 842 O ASN A1200 7.891 -14.620 17.598 1.00 11.83 O ATOM 843 CB ASN A1200 6.389 -16.616 15.510 1.00 12.42 C ATOM 844 CG ASN A1200 4.985 -17.168 15.321 1.00 12.72 C ATOM 845 OD1 ASN A1200 3.993 -16.619 15.832 1.00 15.84 O ATOM 846 ND2 ASN A1200 4.899 -18.250 14.568 1.00 15.52 N ATOM 847 HD22 ASN A1200 5.759 -18.672 14.163 1.00 0.00 H ATOM 848 HD21 ASN A1200 3.971 -18.680 14.380 1.00 0.00 H ATOM 849 H ASN A1200 5.974 -14.825 13.738 1.00 0.00 H ATOM 850 N ILE A1201 8.742 -14.507 15.519 1.00 10.60 N ATOM 851 CA ILE A1201 10.076 -14.095 15.955 1.00 11.03 C ATOM 852 C ILE A1201 10.018 -12.690 16.607 1.00 10.83 C ATOM 853 O ILE A1201 10.561 -12.431 17.684 1.00 11.31 O ATOM 854 CB ILE A1201 11.098 -14.120 14.779 1.00 13.30 C ATOM 855 CG1 ILE A1201 11.513 -15.581 14.498 1.00 17.70 C ATOM 856 CG2 ILE A1201 12.312 -13.250 15.094 1.00 15.97 C ATOM 857 CD1 ILE A1201 12.366 -15.771 13.300 1.00 21.01 C ATOM 858 H ILE A1201 8.561 -14.633 14.503 1.00 0.00 H ATOM 859 N ALA A1202 9.232 -11.789 15.991 1.00 9.77 N ATOM 860 CA ALA A1202 9.051 -10.474 16.612 1.00 9.50 C ATOM 861 C ALA A1202 8.316 -10.555 17.946 1.00 10.14 C ATOM 862 O ALA A1202 8.724 -9.916 18.920 1.00 10.32 O ATOM 863 CB ALA A1202 8.312 -9.602 15.646 1.00 9.38 C ATOM 864 H ALA A1202 8.762 -12.021 15.092 1.00 0.00 H ATOM 865 N HIS A1203 7.259 -11.389 18.022 1.00 10.22 N ATOM 866 CA HIS A1203 6.484 -11.581 19.289 1.00 11.96 C ATOM 867 C HIS A1203 7.370 -12.118 20.416 1.00 12.03 C ATOM 868 O HIS A1203 7.295 -11.647 21.561 1.00 12.21 O ATOM 869 CB HIS A1203 5.402 -12.604 19.063 1.00 12.19 C ATOM 870 CG HIS A1203 4.363 -12.596 20.131 1.00 15.51 C ATOM 871 ND1 HIS A1203 4.512 -13.350 21.289 1.00 17.82 N ATOM 872 CD2 HIS A1203 3.143 -12.024 20.194 1.00 17.72 C ATOM 873 CE1 HIS A1203 3.432 -13.186 22.035 1.00 18.78 C ATOM 874 NE2 HIS A1203 2.588 -12.392 21.397 1.00 21.56 N ATOM 875 H HIS A1203 6.973 -11.916 17.173 1.00 0.00 H ATOM 876 N GLN A1204 8.290 -13.000 20.072 1.00 12.00 N ATOM 877 CA GLN A1204 9.201 -13.631 21.102 1.00 13.44 C ATOM 878 C GLN A1204 10.173 -12.526 21.579 1.00 13.34 C ATOM 879 O GLN A1204 10.509 -12.419 22.733 1.00 12.85 O ATOM 880 CB GLN A1204 9.998 -14.733 20.515 1.00 15.05 C ATOM 881 CG GLN A1204 9.213 -15.946 20.126 1.00 21.55 C ATOM 882 H GLN A1204 8.391 -13.267 19.072 1.00 0.00 H ATOM 883 N ASN A1205 10.630 -11.681 20.652 1.00 10.87 N ATOM 884 CA ASN A1205 11.656 -10.646 21.027 1.00 12.03 C ATOM 885 C ASN A1205 10.966 -9.613 21.850 1.00 12.41 C ATOM 886 O ASN A1205 11.496 -9.126 22.863 1.00 14.72 O ATOM 887 CB ASN A1205 12.293 -9.995 19.785 1.00 11.55 C ATOM 888 CG ASN A1205 13.355 -8.988 20.146 1.00 12.13 C ATOM 889 OD1 ASN A1205 13.160 -7.819 19.993 1.00 13.50 O ATOM 890 ND2 ASN A1205 14.498 -9.472 20.723 1.00 13.18 N ATOM 891 HD22 ASN A1205 14.629 -10.497 20.838 1.00 0.00 H ATOM 892 HD21 ASN A1205 15.236 -8.814 21.047 1.00 0.00 H ATOM 893 H ASN A1205 10.278 -11.738 19.675 1.00 0.00 H ATOM 894 N LYS A1206 9.723 -9.295 21.487 1.00 12.48 N ATOM 895 CA LYS A1206 8.973 -8.235 22.145 1.00 11.12 C ATOM 896 C LYS A1206 8.492 -8.568 23.560 1.00 12.51 C ATOM 897 O LYS A1206 8.642 -7.806 24.516 1.00 12.04 O ATOM 898 CB LYS A1206 7.753 -7.797 21.321 1.00 10.23 C ATOM 899 CG LYS A1206 7.041 -6.548 21.885 1.00 9.42 C ATOM 900 CD LYS A1206 6.062 -5.983 20.889 1.00 9.07 C ATOM 901 CE LYS A1206 5.310 -4.721 21.427 1.00 9.25 C ATOM 902 NZ LYS A1206 6.069 -3.474 21.339 1.00 10.43 N ATOM 903 HZ1 LYS A1206 6.944 -3.562 21.894 1.00 0.00 H ATOM 904 HZ2 LYS A1206 6.305 -3.283 20.344 1.00 0.00 H ATOM 905 HZ3 LYS A1206 5.495 -2.693 21.717 1.00 0.00 H ATOM 906 H LYS A1206 9.275 -9.821 20.709 1.00 0.00 H ATOM 907 N PHE A1207 7.974 -9.787 23.669 1.00 14.05 N ATOM 908 CA PHE A1207 7.315 -10.245 24.898 1.00 15.71 C ATOM 909 C PHE A1207 8.158 -11.306 25.549 1.00 20.49 C ATOM 910 O PHE A1207 8.117 -11.319 26.792 1.00 30.02 O ATOM 911 CB PHE A1207 5.902 -10.734 24.583 1.00 16.17 C ATOM 912 CG PHE A1207 5.001 -9.675 23.996 1.00 15.72 C ATOM 913 CD1 PHE A1207 4.536 -8.597 24.751 1.00 16.21 C ATOM 914 CD2 PHE A1207 4.602 -9.731 22.656 1.00 16.65 C ATOM 915 CE1 PHE A1207 3.733 -7.600 24.167 1.00 16.87 C ATOM 916 CE2 PHE A1207 3.810 -8.717 22.088 1.00 18.01 C ATOM 917 CZ PHE A1207 3.359 -7.663 22.842 1.00 15.88 C ATOM 918 H PHE A1207 8.037 -10.436 22.859 1.00 0.00 H TER 919 PHE A1207 HETATM 920 ZN ZN A 1 13.030 -2.613 2.460 1.00 8.84 ZN HETATM 921 ZN ZN A 2 12.444 8.216 11.361 1.00 9.71 ZN HETATM 922 ZN ZN A 3 -0.118 -6.005 -1.404 1.00 8.30 ZN HETATM 923 O HOH 4 4.876 13.589 12.977 1.00 13.59 O HETATM 924 O HOH 5 5.161 6.951 20.828 1.00 23.43 O HETATM 925 O HOH 6 20.633 9.580 10.238 1.00 25.17 O HETATM 926 O HOH 7 17.428 -8.314 11.567 1.00 26.46 O HETATM 927 O HOH 8 -2.925 -2.621 13.482 1.00 28.04 O HETATM 928 O HOH 9 12.913 -10.293 24.714 1.00 28.84 O HETATM 929 O HOH 10 4.335 -1.644 22.157 1.00 23.97 O HETATM 930 O HOH 11 6.245 5.905 7.639 1.00 9.36 O HETATM 931 O HOH 12 17.736 1.657 2.116 1.00 39.95 O HETATM 932 O HOH 13 7.404 -16.089 4.378 1.00 27.02 O HETATM 933 O HOH 14 17.354 6.686 19.875 1.00 13.53 O HETATM 934 O HOH 15 6.493 6.873 -0.317 1.00 28.04 O HETATM 935 O HOH 16 -1.326 -8.148 9.855 1.00 8.98 O HETATM 936 O HOH 17 3.518 2.805 -4.146 1.00 14.77 O HETATM 937 O HOH 18 18.996 -4.447 4.314 1.00 16.07 O HETATM 938 O HOH 19 3.414 12.969 10.944 1.00 22.34 O HETATM 939 O HOH 20 14.985 -6.237 21.893 1.00 27.47 O HETATM 940 O HOH 21 11.541 0.077 17.584 1.00 10.88 O HETATM 941 O HOH 22 -3.309 6.674 9.170 1.00 20.90 O HETATM 942 O HOH 23 7.146 -19.678 13.509 1.00 32.10 O HETATM 943 O HOH 24 7.759 -14.693 0.084 1.00 23.21 O HETATM 944 O HOH 25 7.203 10.103 4.344 1.00 21.38 O HETATM 945 O HOH 26 12.920 -13.520 18.554 1.00 15.68 O HETATM 946 O HOH 27 4.944 11.477 8.186 1.00 26.17 O HETATM 947 O HOH 28 -2.594 4.508 2.786 1.00 24.11 O HETATM 948 O HOH 29 16.737 12.870 14.429 1.00 25.41 O HETATM 949 O HOH 30 1.769 -12.834 -3.149 1.00 12.46 O HETATM 950 O HOH 31 17.752 1.046 12.322 1.00 11.31 O HETATM 951 O HOH 32 10.983 -15.522 2.143 1.00 24.35 O HETATM 952 O HOH 33 15.084 -5.379 13.820 1.00 9.78 O HETATM 953 O HOH 34 17.291 -9.260 18.607 1.00 20.72 O HETATM 954 O HOH 35 10.758 -3.058 -5.134 1.00 19.12 O HETATM 955 O HOH 36 21.282 -17.348 14.203 1.00 17.82 O HETATM 956 O HOH 37 8.183 -6.058 1.890 1.00 10.05 O HETATM 957 O HOH 38 17.857 -1.485 20.175 1.00 18.14 O HETATM 958 O HOH 39 11.579 1.256 20.927 1.00 13.19 O HETATM 959 O HOH 40 0.846 3.686 0.171 1.00 20.25 O HETATM 960 O HOH 41 5.503 -18.349 8.138 1.00 21.37 O HETATM 961 O HOH 42 4.852 0.609 14.684 1.00 20.26 O HETATM 962 O HOH 43 11.605 3.154 -5.688 1.00 10.74 O HETATM 963 O HOH 44 -4.436 0.327 -3.448 1.00 30.51 O HETATM 964 O HOH 45 9.792 -8.111 27.056 1.00 13.24 O HETATM 965 O HOH 46 9.843 -1.157 20.824 1.00 12.02 O HETATM 966 O HOH 47 -5.346 -17.019 3.603 1.00 22.67 O HETATM 967 O HOH 48 2.668 3.696 13.027 1.00 28.28 O HETATM 968 O HOH 49 15.757 -6.192 11.323 1.00 14.27 O HETATM 969 O HOH 50 12.523 -6.506 23.158 1.00 15.21 O HETATM 970 O HOH 51 2.331 -4.091 -7.570 1.00 19.65 O HETATM 971 O HOH 52 20.646 -14.697 7.749 1.00 21.65 O HETATM 972 O HOH 53 6.353 3.492 19.996 1.00 21.24 O HETATM 973 O HOH 54 9.166 1.512 17.991 1.00 10.64 O HETATM 974 O HOH 55 4.194 -8.347 -6.340 1.00 13.57 O HETATM 975 O HOH 56 18.172 -3.691 10.341 1.00 22.86 O HETATM 976 O HOH 57 7.522 -14.932 7.915 1.00 16.97 O HETATM 977 O HOH 58 15.900 -15.472 12.888 1.00 29.23 O HETATM 978 O HOH 59 14.080 8.934 0.059 1.00 22.86 O HETATM 979 O HOH 60 10.067 -14.599 6.040 1.00 29.23 O HETATM 980 O HOH 61 -10.935 -9.897 5.406 1.00 19.73 O HETATM 981 O HOH 62 8.576 13.898 15.040 1.00 19.65 O HETATM 982 O HOH 63 3.516 6.169 13.345 1.00 17.29 O HETATM 983 O HOH 64 -3.010 -18.770 0.253 1.00 22.05 O HETATM 984 O HOH 65 -1.111 -9.504 13.592 1.00 15.43 O HETATM 985 O HOH 66 6.008 -16.104 19.273 1.00 18.26 O HETATM 986 O HOH 67 18.772 -5.973 7.355 1.00 19.80 O HETATM 987 O HOH 68 18.457 -16.433 7.250 1.00 25.14 O HETATM 988 O HOH 69 -2.817 -18.365 5.151 1.00 20.86 O HETATM 989 O HOH 70 14.573 -12.406 21.044 1.00 24.04 O HETATM 990 O HOH 71 1.825 -12.865 -5.821 1.00 25.26 O HETATM 991 O HOH 72 18.715 1.928 7.871 1.00 21.49 O HETATM 992 O HOH 73 17.602 0.077 9.615 1.00 11.96 O HETATM 993 O HOH 74 -6.871 -3.247 6.057 1.00 15.68 O HETATM 994 O HOH 75 -0.041 3.534 2.866 1.00 17.19 O HETATM 995 O HOH 76 12.681 -17.042 7.053 1.00 28.56 O HETATM 996 O HOH 77 15.074 -12.630 17.080 1.00 22.79 O HETATM 997 O HOH 78 -3.497 -6.894 11.183 1.00 15.87 O HETATM 998 O HOH 79 7.477 -0.499 19.851 1.00 18.69 O HETATM 999 O HOH 80 13.474 8.820 20.430 1.00 16.64 O HETATM 1000 O HOH 81 13.879 11.908 16.099 1.00 34.72 O HETATM 1001 O HOH 82 13.307 13.414 10.747 1.00 25.27 O HETATM 1002 O HOH 83 -1.188 -2.036 -6.132 1.00 22.45 O HETATM 1003 O HOH 84 19.578 -1.619 9.549 1.00 25.27 O HETATM 1004 O HOH 85 15.921 -15.002 15.730 1.00 27.56 O HETATM 1005 O HOH 86 7.720 10.039 1.660 1.00 33.81 O HETATM 1006 O HOH 87 16.737 -5.605 23.926 1.00 22.05 O HETATM 1007 O HOH 88 -2.582 -4.078 -5.159 1.00 13.83 O HETATM 1008 O HOH 89 8.144 8.952 -0.691 1.00 29.70 O HETATM 1009 O HOH 90 -8.659 -4.345 4.430 1.00 30.22 O HETATM 1010 O HOH 91 20.087 2.268 13.029 1.00 24.11 O HETATM 1011 O HOH 92 0.529 -2.264 -8.175 1.00 26.90 O HETATM 1012 O HOH 93 7.190 -16.923 1.978 1.00 27.01 O HETATM 1013 C1 EYY A 94 3.279 2.238 8.188 1.00 0.01 C HETATM 1014 C2 EYY A 94 2.282 1.821 7.152 1.00 0.01 C HETATM 1015 C3 EYY A 94 0.838 2.094 7.493 1.00 0.03 C HETATM 1016 C4 EYY A 94 0.116 1.338 8.429 1.00 -0.03 C HETATM 1017 C5 EYY A 94 -1.214 1.586 8.595 1.00 -0.04 C HETATM 1018 C6 EYY A 94 -1.856 2.590 7.831 1.00 0.00 C HETATM 1019 C7 EYY A 94 -3.212 2.966 7.986 1.00 -0.05 C HETATM 1020 C8 EYY A 94 -3.745 3.994 7.249 1.00 -0.06 C HETATM 1021 C9 EYY A 94 -2.980 4.665 6.324 1.00 -0.06 C HETATM 1022 C10 EYY A 94 -1.657 4.343 6.149 1.00 -0.04 C HETATM 1023 C11 EYY A 94 -1.064 3.308 6.914 1.00 0.04 C HETATM 1024 N EYY A 94 0.286 3.071 6.762 1.00 -0.30 N HETATM 1025 H10 EYY A 94 -1.062 4.884 5.421 1.00 0.06 H HETATM 1026 H9 EYY A 94 -3.425 5.454 5.729 1.00 0.06 H HETATM 1027 H8 EYY A 94 -4.780 4.280 7.398 1.00 0.06 H HETATM 1028 H7 EYY A 94 -3.837 2.436 8.695 1.00 0.06 H HETATM 1029 H6 EYY A 94 -1.783 1.011 9.316 1.00 0.08 H HETATM 1030 H5 EYY A 94 0.609 0.568 9.012 1.00 0.07 H HETATM 1031 H3 EYY A 94 2.393 0.739 6.991 1.00 0.05 H HETATM 1032 H4 EYY A 94 2.517 2.357 6.220 1.00 0.05 H HETATM 1033 C EYY A 94 3.547 3.724 8.237 1.00 0.04 C HETATM 1034 O1 EYY A 94 3.070 4.414 9.151 1.00 -0.57 O HETATM 1035 O EYY A 94 4.245 4.181 7.265 1.00 -0.57 O HETATM 1036 H1 EYY A 94 4.229 1.724 7.977 1.00 0.05 H HETATM 1037 H2 EYY A 94 2.903 1.924 9.173 1.00 0.05 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 47 46 922 CONECT 62 61 64 922 CONECT 204 203 921 CONECT 225 224 921 CONECT 312 311 920 CONECT 336 335 920 CONECT 391 390 921 CONECT 460 459 462 921 CONECT 504 502 503 920 CONECT 552 551 554 920 CONECT 674 673 922 CONECT 709 708 922 CONECT 920 312 336 504 552 CONECT 921 204 225 391 460 CONECT 922 47 62 674 709 CONECT 1013 1014 1033 1036 1037 CONECT 1014 1013 1015 1031 1032 CONECT 1015 1014 1016 1024 CONECT 1016 1015 1017 1030 CONECT 1017 1016 1018 1029 CONECT 1018 1017 1019 1023 CONECT 1019 1018 1020 1028 CONECT 1020 1019 1021 1027 CONECT 1021 1020 1022 1026 CONECT 1022 1021 1023 1025 CONECT 1023 1018 1022 1024 CONECT 1024 1015 1023 CONECT 1025 1022 CONECT 1026 1021 CONECT 1027 1020 CONECT 1028 1019 CONECT 1029 1017 CONECT 1030 1016 CONECT 1031 1014 CONECT 1032 1014 CONECT 1033 1013 1034 1035 CONECT 1034 1033 CONECT 1035 1033 CONECT 1036 1013 CONECT 1037 1013 MASTER 0 0 0 0 0 0 0 0 1036 1 43 8 END
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Related entries of code: 6cea
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%
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
6cea
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Histone deacetylase 6
Ligand Name
EYY
EC.Number
E.C.3.5.1.98
Resolution
1.6(Å)
Affinity (Kd/Ki/IC50)
Kd=720uM
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
1
NO
2
Molecular Weight
201.221
Exact Mass
201.079
No. of atoms
26
No. of bonds
27
Polar Surface Area
50.19
LOGP Value
3.43 (
Computed with XLOGP3
)
2.25 (
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)CCc1ccc2c(n1)cccc2
InChI String
InChI=1S/C12H11NO2/c14-12(15)8-7-10-6-5-9-3-1-2-4-11(9)13-10/h1-6H,7-8H2,(H,14,15)
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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