Browse entries in the PDBbind-CN Database
HEADER 6CED_COMPLEX COMPND 6CED_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 EYA A 175 28 ATOM 1 N PRO A1109 -7.488 -8.758 8.650 1.00 24.69 N ATOM 2 CA PRO A1109 -6.537 -8.431 7.532 1.00 21.43 C ATOM 3 C PRO A1109 -6.873 -9.274 6.284 1.00 21.92 C ATOM 4 O PRO A1109 -7.691 -10.209 6.366 1.00 23.07 O ATOM 5 CB PRO A1109 -5.205 -8.960 8.075 1.00 23.81 C ATOM 6 CG PRO A1109 -5.584 -10.164 8.906 1.00 26.83 C ATOM 7 CD PRO A1109 -6.862 -9.693 9.608 1.00 24.04 C ATOM 8 HN2 PRO A1109 -8.344 -9.196 8.254 1.00 0.00 H ATOM 9 HN1 PRO A1109 -7.747 -7.882 9.147 1.00 0.00 H ATOM 10 N LEU A1110 -6.209 -8.990 5.166 1.00 19.74 N ATOM 11 CA LEU A1110 -6.337 -9.791 3.957 1.00 18.89 C ATOM 12 C LEU A1110 -5.638 -11.080 4.215 1.00 18.73 C ATOM 13 O LEU A1110 -4.603 -11.106 4.893 1.00 18.98 O ATOM 14 CB LEU A1110 -5.733 -9.109 2.758 1.00 17.87 C ATOM 15 CG LEU A1110 -6.332 -7.804 2.287 1.00 21.11 C ATOM 16 CD1 LEU A1110 -5.340 -7.192 1.314 1.00 23.59 C ATOM 17 CD2 LEU A1110 -7.721 -8.043 1.696 1.00 25.21 C ATOM 18 H LEU A1110 -5.575 -8.165 5.156 1.00 0.00 H ATOM 19 N PRO A1111 -6.161 -12.199 3.667 1.00 19.10 N ATOM 20 CA PRO A1111 -5.486 -13.505 3.845 1.00 18.68 C ATOM 21 C PRO A1111 -4.337 -13.736 2.890 1.00 17.19 C ATOM 22 O PRO A1111 -3.593 -14.712 3.017 1.00 20.10 O ATOM 23 CB PRO A1111 -6.608 -14.500 3.546 1.00 20.59 C ATOM 24 CG PRO A1111 -7.455 -13.749 2.538 1.00 18.79 C ATOM 25 CD PRO A1111 -7.529 -12.355 3.087 1.00 19.61 C ATOM 26 N TRP A1112 -4.137 -12.827 1.942 1.00 17.54 N ATOM 27 CA TRP A1112 -3.090 -12.961 0.925 1.00 16.28 C ATOM 28 C TRP A1112 -2.925 -11.604 0.255 1.00 16.42 C ATOM 29 O TRP A1112 -3.861 -10.801 0.197 1.00 17.71 O ATOM 30 CB TRP A1112 -3.517 -14.023 -0.148 1.00 17.78 C ATOM 31 CG TRP A1112 -2.542 -14.316 -1.211 1.00 17.38 C ATOM 32 CD1 TRP A1112 -1.538 -15.195 -1.147 1.00 16.83 C ATOM 33 CD2 TRP A1112 -2.433 -13.676 -2.507 1.00 16.37 C ATOM 34 NE1 TRP A1112 -0.819 -15.205 -2.315 1.00 18.92 N ATOM 35 CE2 TRP A1112 -1.351 -14.288 -3.177 1.00 17.29 C ATOM 36 CE3 TRP A1112 -3.195 -12.715 -3.190 1.00 17.09 C ATOM 37 CZ2 TRP A1112 -0.976 -13.956 -4.462 1.00 18.47 C ATOM 38 CZ3 TRP A1112 -2.813 -12.379 -4.503 1.00 16.55 C ATOM 39 CH2 TRP A1112 -1.735 -13.019 -5.120 1.00 17.87 C ATOM 40 HE1 TRP A1112 0.001 -15.814 -2.513 1.00 0.00 H ATOM 41 H TRP A1112 -4.748 -11.986 1.921 1.00 0.00 H ATOM 42 N CYS A1113 -1.780 -11.362 -0.342 1.00 17.18 N ATOM 43 CA CYS A1113 -1.681 -10.232 -1.291 1.00 16.06 C ATOM 44 C CYS A1113 -0.599 -10.577 -2.287 1.00 15.99 C ATOM 45 O CYS A1113 0.230 -11.477 -2.010 1.00 14.79 O ATOM 46 CB CYS A1113 -1.498 -8.896 -0.582 1.00 15.79 C ATOM 47 SG CYS A1113 0.268 -8.304 -0.472 1.00 14.86 S ATOM 48 H CYS A1113 -0.951 -11.959 -0.149 1.00 0.00 H ATOM 49 N PRO A1114 -0.628 -9.912 -3.460 1.00 15.88 N ATOM 50 CA PRO A1114 0.293 -10.244 -4.556 1.00 18.02 C ATOM 51 C PRO A1114 1.734 -9.829 -4.252 1.00 18.24 C ATOM 52 O PRO A1114 2.644 -10.128 -5.030 1.00 17.53 O ATOM 53 CB PRO A1114 -0.235 -9.450 -5.745 1.00 18.86 C ATOM 54 CG PRO A1114 -1.180 -8.460 -5.211 1.00 21.25 C ATOM 55 CD PRO A1114 -1.623 -8.883 -3.832 1.00 17.63 C ATOM 56 N HIS A1115 1.969 -9.204 -3.099 1.00 15.05 N ATOM 57 CA HIS A1115 3.352 -8.795 -2.747 1.00 17.81 C ATOM 58 C HIS A1115 4.065 -9.695 -1.763 1.00 17.32 C ATOM 59 O HIS A1115 5.250 -9.464 -1.452 1.00 17.45 O ATOM 60 CB HIS A1115 3.333 -7.352 -2.283 1.00 14.91 C ATOM 61 CG HIS A1115 2.642 -6.458 -3.239 1.00 16.29 C ATOM 62 ND1 HIS A1115 1.347 -6.015 -3.068 1.00 15.44 N ATOM 63 CD2 HIS A1115 3.069 -5.936 -4.422 1.00 17.61 C ATOM 64 CE1 HIS A1115 0.987 -5.321 -4.139 1.00 17.53 C ATOM 65 NE2 HIS A1115 2.034 -5.220 -4.958 1.00 17.30 N ATOM 66 H HIS A1115 1.185 -9.003 -2.446 1.00 0.00 H ATOM 67 N LEU A1116 3.402 -10.757 -1.293 1.00 15.75 N ATOM 68 CA LEU A1116 4.060 -11.758 -0.411 1.00 17.38 C ATOM 69 C LEU A1116 5.321 -12.367 -0.972 1.00 18.52 C ATOM 70 O LEU A1116 6.223 -12.741 -0.199 1.00 17.62 O ATOM 71 CB LEU A1116 3.069 -12.782 0.110 1.00 17.24 C ATOM 72 CG LEU A1116 1.975 -12.231 1.032 1.00 18.47 C ATOM 73 CD1 LEU A1116 0.859 -13.269 1.117 1.00 19.39 C ATOM 74 CD2 LEU A1116 2.459 -11.884 2.434 1.00 18.47 C ATOM 75 H LEU A1116 2.403 -10.886 -1.550 1.00 0.00 H ATOM 76 N VAL A1117 5.379 -12.431 -2.304 1.00 20.26 N ATOM 77 CA VAL A1117 6.591 -12.877 -3.022 1.00 21.16 C ATOM 78 C VAL A1117 7.827 -12.062 -2.718 1.00 22.15 C ATOM 79 O VAL A1117 8.945 -12.544 -2.856 1.00 21.89 O ATOM 80 CB VAL A1117 6.343 -12.960 -4.548 1.00 23.32 C ATOM 81 CG1 VAL A1117 5.342 -14.058 -4.802 1.00 24.36 C ATOM 82 CG2 VAL A1117 5.905 -11.628 -5.147 1.00 22.82 C ATOM 83 H VAL A1117 4.541 -12.157 -2.856 1.00 0.00 H ATOM 84 N ALA A1118 7.637 -10.805 -2.271 1.00 19.80 N ATOM 85 CA ALA A1118 8.787 -9.935 -1.942 1.00 18.86 C ATOM 86 C ALA A1118 9.260 -10.091 -0.506 1.00 18.10 C ATOM 87 O ALA A1118 10.219 -9.416 -0.097 1.00 17.96 O ATOM 88 CB ALA A1118 8.440 -8.485 -2.254 1.00 21.38 C ATOM 89 H ALA A1118 6.669 -10.442 -2.156 1.00 0.00 H ATOM 90 N VAL A1119 8.578 -10.892 0.313 1.00 16.69 N ATOM 91 CA VAL A1119 9.008 -11.121 1.713 1.00 17.06 C ATOM 92 C VAL A1119 10.229 -12.032 1.660 1.00 19.01 C ATOM 93 O VAL A1119 10.170 -13.138 1.102 1.00 19.41 O ATOM 94 CB VAL A1119 7.929 -11.776 2.542 1.00 17.17 C ATOM 95 CG1 VAL A1119 8.419 -12.115 3.972 1.00 19.17 C ATOM 96 CG2 VAL A1119 6.723 -10.850 2.600 1.00 17.62 C ATOM 97 H VAL A1119 7.723 -11.368 -0.039 1.00 0.00 H ATOM 98 N CYS A1120 11.295 -11.554 2.286 1.00 16.71 N ATOM 99 CA CYS A1120 12.578 -12.227 2.224 1.00 18.60 C ATOM 100 C CYS A1120 12.875 -12.929 3.517 1.00 19.37 C ATOM 101 O CYS A1120 12.275 -12.716 4.580 1.00 18.75 O ATOM 102 CB CYS A1120 13.644 -11.226 1.827 1.00 17.27 C ATOM 103 SG CYS A1120 13.428 -10.554 0.177 1.00 18.79 S ATOM 104 H CYS A1120 11.209 -10.675 2.835 1.00 0.00 H ATOM 105 N PRO A1121 13.833 -13.869 3.451 1.00 22.79 N ATOM 106 CA PRO A1121 14.133 -14.615 4.636 1.00 22.57 C ATOM 107 C PRO A1121 14.685 -13.772 5.764 1.00 20.57 C ATOM 108 O PRO A1121 15.390 -12.756 5.543 1.00 21.97 O ATOM 109 CB PRO A1121 15.236 -15.592 4.148 1.00 22.41 C ATOM 110 CG PRO A1121 14.881 -15.787 2.742 1.00 23.25 C ATOM 111 CD PRO A1121 14.575 -14.388 2.301 1.00 23.61 C ATOM 112 N ILE A1122 14.374 -14.241 6.969 1.00 22.30 N ATOM 113 CA ILE A1122 14.688 -13.525 8.154 1.00 24.96 C ATOM 114 C ILE A1122 16.170 -13.647 8.339 1.00 27.05 C ATOM 115 O ILE A1122 16.721 -14.754 8.217 1.00 30.31 O ATOM 116 CB ILE A1122 13.968 -14.095 9.420 1.00 27.77 C ATOM 117 CG1 ILE A1122 12.438 -14.060 9.278 1.00 34.42 C ATOM 118 CG2 ILE A1122 14.381 -13.283 10.626 1.00 33.95 C ATOM 119 H ILE A1122 13.888 -15.157 7.045 1.00 0.00 H ATOM 120 N PRO A1123 16.818 -12.541 8.619 1.00 24.35 N ATOM 121 CA PRO A1123 18.230 -12.637 8.997 1.00 26.96 C ATOM 122 C PRO A1123 18.474 -13.603 10.159 1.00 26.05 C ATOM 123 O PRO A1123 17.687 -13.683 11.134 1.00 27.42 O ATOM 124 CB PRO A1123 18.602 -11.218 9.392 1.00 28.09 C ATOM 125 CG PRO A1123 17.542 -10.354 8.816 1.00 26.10 C ATOM 126 CD PRO A1123 16.308 -11.163 8.701 1.00 25.01 C ATOM 127 N ALA A1124 19.562 -14.378 10.073 1.00 27.74 N ATOM 128 CA ALA A1124 19.905 -15.287 11.209 1.00 30.20 C ATOM 129 C ALA A1124 20.260 -14.462 12.465 1.00 28.09 C ATOM 130 O ALA A1124 20.105 -14.957 13.588 1.00 33.46 O ATOM 131 CB ALA A1124 21.047 -16.250 10.837 1.00 27.27 C ATOM 132 H ALA A1124 20.163 -14.348 9.224 1.00 0.00 H ATOM 133 N ALA A1125 20.699 -13.209 12.271 1.00 30.26 N ATOM 134 CA ALA A1125 20.874 -12.237 13.404 1.00 34.18 C ATOM 135 C ALA A1125 19.553 -12.018 14.184 1.00 34.86 C ATOM 136 O ALA A1125 19.557 -11.751 15.391 1.00 34.41 O ATOM 137 CB ALA A1125 21.419 -10.921 12.886 1.00 36.68 C ATOM 138 H ALA A1125 20.926 -12.900 11.304 1.00 0.00 H ATOM 139 N GLY A1126 18.413 -12.236 13.510 1.00 28.42 N ATOM 140 CA GLY A1126 17.117 -12.191 14.150 1.00 26.99 C ATOM 141 C GLY A1126 16.644 -10.736 14.060 1.00 25.11 C ATOM 142 O GLY A1126 17.154 -9.920 13.260 1.00 25.33 O ATOM 143 H GLY A1126 18.463 -12.444 12.492 1.00 0.00 H ATOM 144 N LEU A1127 15.668 -10.428 14.881 1.00 22.35 N ATOM 145 CA LEU A1127 15.049 -9.112 14.838 1.00 21.43 C ATOM 146 C LEU A1127 15.253 -8.457 16.189 1.00 21.96 C ATOM 147 O LEU A1127 15.284 -9.135 17.209 1.00 22.20 O ATOM 148 CB LEU A1127 13.558 -9.280 14.564 1.00 22.18 C ATOM 149 CG LEU A1127 13.138 -9.869 13.245 1.00 23.64 C ATOM 150 CD1 LEU A1127 11.642 -9.981 13.226 1.00 24.88 C ATOM 151 CD2 LEU A1127 13.619 -9.032 12.099 1.00 25.54 C ATOM 152 H LEU A1127 15.333 -11.132 15.570 1.00 0.00 H ATOM 153 N ASP A1128 15.361 -7.143 16.183 1.00 17.33 N ATOM 154 CA ASP A1128 15.421 -6.388 17.437 1.00 18.58 C ATOM 155 C ASP A1128 14.292 -5.423 17.452 1.00 16.35 C ATOM 156 O ASP A1128 14.332 -4.401 16.781 1.00 16.53 O ATOM 157 CB ASP A1128 16.757 -5.682 17.583 1.00 21.72 C ATOM 158 CG ASP A1128 16.843 -4.809 18.828 1.00 24.89 C ATOM 159 OD1 ASP A1128 15.905 -4.764 19.638 1.00 21.24 O ATOM 160 OD2 ASP A1128 17.825 -4.052 18.919 1.00 29.07 O ATOM 161 H ASP A1128 15.404 -6.636 15.276 1.00 0.00 H ATOM 162 N VAL A1129 13.242 -5.743 18.218 1.00 15.75 N ATOM 163 CA VAL A1129 12.064 -4.928 18.176 1.00 15.53 C ATOM 164 C VAL A1129 12.254 -3.551 18.872 1.00 15.10 C ATOM 165 O VAL A1129 11.366 -2.724 18.719 1.00 16.28 O ATOM 166 CB VAL A1129 10.820 -5.592 18.782 1.00 17.63 C ATOM 167 CG1 VAL A1129 10.634 -6.974 18.160 1.00 16.63 C ATOM 168 CG2 VAL A1129 10.984 -5.746 20.298 1.00 20.44 C ATOM 169 H VAL A1129 13.281 -6.577 18.839 1.00 0.00 H ATOM 170 N THR A1130 13.388 -3.347 19.566 1.00 14.92 N ATOM 171 CA THR A1130 13.697 -2.055 20.125 1.00 17.45 C ATOM 172 C THR A1130 14.660 -1.265 19.240 1.00 19.36 C ATOM 173 O THR A1130 15.122 -0.208 19.659 1.00 20.49 O ATOM 174 CB THR A1130 14.305 -2.146 21.534 1.00 18.25 C ATOM 175 OG1 THR A1130 15.579 -2.776 21.498 1.00 18.04 O ATOM 176 CG2 THR A1130 13.369 -2.909 22.401 1.00 19.00 C ATOM 177 HG1 THR A1130 15.483 -3.691 21.133 1.00 0.00 H ATOM 178 H THR A1130 14.053 -4.135 19.702 1.00 0.00 H ATOM 179 N GLN A1131 14.954 -1.734 18.021 1.00 16.20 N ATOM 180 CA GLN A1131 15.872 -1.023 17.104 1.00 17.12 C ATOM 181 C GLN A1131 15.243 0.294 16.735 1.00 18.72 C ATOM 182 O GLN A1131 14.037 0.353 16.434 1.00 18.19 O ATOM 183 CB GLN A1131 16.072 -1.859 15.831 1.00 18.11 C ATOM 184 CG GLN A1131 17.040 -1.250 14.827 1.00 18.48 C ATOM 185 CD GLN A1131 17.510 -2.272 13.800 1.00 19.09 C ATOM 186 OE1 GLN A1131 17.404 -3.476 14.009 1.00 19.04 O ATOM 187 NE2 GLN A1131 17.889 -1.794 12.654 1.00 21.82 N ATOM 188 HE22 GLN A1131 17.966 -0.766 12.519 1.00 0.00 H ATOM 189 HE21 GLN A1131 18.116 -2.439 11.871 1.00 0.00 H ATOM 190 H GLN A1131 14.523 -2.627 17.708 1.00 0.00 H ATOM 191 N PRO A1132 16.041 1.385 16.737 1.00 16.29 N ATOM 192 CA PRO A1132 15.471 2.688 16.394 1.00 16.02 C ATOM 193 C PRO A1132 15.347 2.938 14.895 1.00 14.76 C ATOM 194 O PRO A1132 15.938 2.200 14.065 1.00 14.91 O ATOM 195 CB PRO A1132 16.482 3.664 17.001 1.00 17.39 C ATOM 196 CG PRO A1132 17.744 2.933 16.963 1.00 20.00 C ATOM 197 CD PRO A1132 17.428 1.486 17.200 1.00 18.16 C ATOM 198 N CYS A1133 14.665 4.020 14.530 1.00 15.10 N ATOM 199 CA CYS A1133 14.515 4.369 13.154 1.00 14.83 C ATOM 200 C CYS A1133 15.855 4.650 12.574 1.00 15.38 C ATOM 201 O CYS A1133 16.630 5.417 13.162 1.00 17.36 O ATOM 202 CB CYS A1133 13.651 5.600 12.989 1.00 14.33 C ATOM 203 SG CYS A1133 13.482 6.208 11.320 1.00 14.79 S ATOM 204 H CYS A1133 14.233 4.622 15.260 1.00 0.00 H ATOM 205 N GLY A1134 16.128 4.034 11.423 1.00 15.09 N ATOM 206 CA GLY A1134 17.424 4.230 10.736 1.00 18.19 C ATOM 207 C GLY A1134 17.745 5.648 10.288 1.00 20.80 C ATOM 208 O GLY A1134 18.903 5.942 10.025 1.00 23.48 O ATOM 209 H GLY A1134 15.417 3.404 11.000 1.00 0.00 H ATOM 210 N ASP A1135 16.733 6.490 10.124 1.00 20.14 N ATOM 211 CA ASP A1135 16.920 7.881 9.722 1.00 21.38 C ATOM 212 C ASP A1135 16.968 8.758 10.925 1.00 20.92 C ATOM 213 O ASP A1135 18.000 9.380 11.186 1.00 21.06 O ATOM 214 CB ASP A1135 15.836 8.345 8.752 1.00 23.10 C ATOM 215 CG ASP A1135 15.949 7.690 7.380 1.00 27.94 C ATOM 216 OD1 ASP A1135 17.074 7.291 6.959 1.00 28.81 O ATOM 217 OD2 ASP A1135 14.885 7.572 6.711 1.00 29.54 O ATOM 218 H ASP A1135 15.766 6.145 10.289 1.00 0.00 H ATOM 219 N CYS A1136 15.875 8.836 11.682 1.00 18.43 N ATOM 220 CA CYS A1136 15.753 9.828 12.763 1.00 18.70 C ATOM 221 C CYS A1136 16.083 9.352 14.141 1.00 18.65 C ATOM 222 O CYS A1136 16.171 10.174 15.049 1.00 21.42 O ATOM 223 CB CYS A1136 14.375 10.478 12.770 1.00 18.91 C ATOM 224 SG CYS A1136 12.991 9.465 13.282 1.00 16.52 S ATOM 225 H CYS A1136 15.088 8.180 11.505 1.00 0.00 H ATOM 226 N GLY A1137 16.263 8.049 14.349 1.00 17.94 N ATOM 227 CA GLY A1137 16.653 7.512 15.642 1.00 18.66 C ATOM 228 C GLY A1137 15.520 7.408 16.641 1.00 18.56 C ATOM 229 O GLY A1137 15.756 6.981 17.770 1.00 19.68 O ATOM 230 H GLY A1137 16.119 7.391 13.557 1.00 0.00 H ATOM 231 N THR A1138 14.271 7.745 16.259 1.00 18.49 N ATOM 232 CA THR A1138 13.191 7.583 17.223 1.00 17.59 C ATOM 233 C THR A1138 13.031 6.154 17.650 1.00 19.09 C ATOM 234 O THR A1138 13.217 5.220 16.859 1.00 16.55 O ATOM 235 CB THR A1138 11.869 8.133 16.704 1.00 19.11 C ATOM 236 OG1 THR A1138 10.899 8.052 17.735 1.00 19.57 O ATOM 237 CG2 THR A1138 11.353 7.343 15.507 1.00 18.85 C ATOM 238 HG1 THR A1138 10.037 8.408 17.404 1.00 0.00 H ATOM 239 H THR A1138 14.084 8.110 15.303 1.00 0.00 H ATOM 240 N ILE A1139 12.599 5.986 18.889 1.00 19.69 N ATOM 241 CA ILE A1139 12.326 4.689 19.420 1.00 19.60 C ATOM 242 C ILE A1139 10.851 4.390 19.304 1.00 20.81 C ATOM 243 O ILE A1139 10.488 3.279 19.626 1.00 24.81 O ATOM 244 CB ILE A1139 12.755 4.531 20.868 1.00 24.15 C ATOM 245 CG1 ILE A1139 12.008 5.553 21.740 1.00 26.36 C ATOM 246 CG2 ILE A1139 14.252 4.736 20.976 1.00 28.42 C ATOM 247 CD1 ILE A1139 11.939 5.236 23.221 1.00 29.31 C ATOM 248 H ILE A1139 12.454 6.821 19.492 1.00 0.00 H ATOM 249 N GLN A1140 10.044 5.330 18.792 1.00 19.44 N ATOM 250 CA GLN A1140 8.607 5.149 18.723 1.00 20.57 C ATOM 251 C GLN A1140 8.070 4.669 17.353 1.00 18.15 C ATOM 252 O GLN A1140 8.575 5.093 16.320 1.00 19.15 O ATOM 253 CB GLN A1140 7.939 6.475 19.002 1.00 21.00 C ATOM 254 CG GLN A1140 8.331 7.091 20.294 1.00 24.67 C ATOM 255 CD GLN A1140 7.563 8.399 20.490 1.00 25.47 C ATOM 256 OE1 GLN A1140 6.316 8.410 20.452 1.00 25.82 O ATOM 257 NE2 GLN A1140 8.302 9.485 20.664 1.00 25.77 N ATOM 258 HE22 GLN A1140 9.339 9.410 20.686 1.00 0.00 H ATOM 259 HE21 GLN A1140 7.845 10.412 20.778 1.00 0.00 H ATOM 260 H GLN A1140 10.460 6.214 18.434 1.00 0.00 H ATOM 261 N GLU A1141 7.075 3.809 17.417 1.00 19.49 N ATOM 262 CA GLU A1141 6.280 3.390 16.298 1.00 19.05 C ATOM 263 C GLU A1141 7.171 2.948 15.112 1.00 17.08 C ATOM 264 O GLU A1141 6.899 3.298 13.988 1.00 17.81 O ATOM 265 CB GLU A1141 5.355 4.502 15.796 1.00 23.57 C ATOM 266 CG GLU A1141 4.417 5.129 16.791 1.00 29.17 C ATOM 267 CD GLU A1141 3.008 4.511 16.765 1.00 29.75 C ATOM 268 OE1 GLU A1141 2.412 4.481 15.668 1.00 27.89 O ATOM 269 OE2 GLU A1141 2.502 4.124 17.844 1.00 29.21 O ATOM 270 H GLU A1141 6.848 3.403 18.347 1.00 0.00 H ATOM 271 N ASN A1142 8.136 2.098 15.369 1.00 14.35 N ATOM 272 CA ASN A1142 8.978 1.625 14.260 1.00 13.33 C ATOM 273 C ASN A1142 8.353 0.355 13.622 1.00 12.48 C ATOM 274 O ASN A1142 7.591 -0.427 14.238 1.00 14.00 O ATOM 275 CB ASN A1142 10.383 1.395 14.779 1.00 14.37 C ATOM 276 CG ASN A1142 11.101 2.705 15.061 1.00 16.22 C ATOM 277 OD1 ASN A1142 11.122 3.551 14.194 1.00 18.72 O ATOM 278 ND2 ASN A1142 11.680 2.864 16.242 1.00 15.77 N ATOM 279 HD22 ASN A1142 11.632 2.105 16.951 1.00 0.00 H ATOM 280 HD21 ASN A1142 12.183 3.748 16.460 1.00 0.00 H ATOM 281 H ASN A1142 8.303 1.764 16.340 1.00 0.00 H ATOM 282 N TRP A1143 8.762 0.185 12.392 1.00 12.52 N ATOM 283 CA TRP A1143 8.438 -0.953 11.546 1.00 12.18 C ATOM 284 C TRP A1143 9.702 -1.501 10.956 1.00 12.98 C ATOM 285 O TRP A1143 10.679 -0.780 10.812 1.00 11.92 O ATOM 286 CB TRP A1143 7.554 -0.484 10.397 1.00 12.71 C ATOM 287 CG TRP A1143 6.249 0.084 10.795 1.00 12.82 C ATOM 288 CD1 TRP A1143 6.039 1.314 11.383 1.00 13.56 C ATOM 289 CD2 TRP A1143 4.930 -0.499 10.645 1.00 13.44 C ATOM 290 NE1 TRP A1143 4.706 1.528 11.634 1.00 15.51 N ATOM 291 CE2 TRP A1143 3.993 0.450 11.177 1.00 14.76 C ATOM 292 CE3 TRP A1143 4.459 -1.683 10.127 1.00 13.02 C ATOM 293 CZ2 TRP A1143 2.610 0.227 11.166 1.00 14.60 C ATOM 294 CZ3 TRP A1143 3.075 -1.919 10.123 1.00 14.34 C ATOM 295 CH2 TRP A1143 2.176 -0.968 10.654 1.00 14.17 C ATOM 296 HE1 TRP A1143 4.304 2.369 12.095 1.00 0.00 H ATOM 297 H TRP A1143 9.369 0.925 11.985 1.00 0.00 H ATOM 298 N VAL A1144 9.680 -2.798 10.626 1.00 12.61 N ATOM 299 CA VAL A1144 10.799 -3.418 9.926 1.00 13.32 C ATOM 300 C VAL A1144 10.340 -3.811 8.545 1.00 12.17 C ATOM 301 O VAL A1144 9.229 -4.379 8.359 1.00 11.73 O ATOM 302 CB VAL A1144 11.382 -4.627 10.701 1.00 13.53 C ATOM 303 CG1 VAL A1144 10.385 -5.766 10.961 1.00 14.74 C ATOM 304 CG2 VAL A1144 12.610 -5.178 9.990 1.00 13.60 C ATOM 305 H VAL A1144 8.850 -3.374 10.873 1.00 0.00 H ATOM 306 N CYS A1145 11.205 -3.581 7.556 1.00 11.79 N ATOM 307 CA CYS A1145 10.843 -3.849 6.150 1.00 12.74 C ATOM 308 C CYS A1145 11.056 -5.349 5.932 1.00 12.56 C ATOM 309 O CYS A1145 12.123 -5.846 6.246 1.00 12.35 O ATOM 310 CB CYS A1145 11.704 -3.070 5.186 1.00 14.69 C ATOM 311 SG CYS A1145 11.225 -3.399 3.489 1.00 14.78 S ATOM 312 H CYS A1145 12.149 -3.207 7.779 1.00 0.00 H ATOM 313 N LEU A1146 10.086 -6.058 5.413 1.00 11.94 N ATOM 314 CA LEU A1146 10.194 -7.485 5.250 1.00 12.91 C ATOM 315 C LEU A1146 10.935 -7.890 3.974 1.00 14.44 C ATOM 316 O LEU A1146 11.038 -9.119 3.695 1.00 14.65 O ATOM 317 CB LEU A1146 8.796 -8.138 5.263 1.00 14.08 C ATOM 318 CG LEU A1146 8.021 -7.916 6.627 1.00 14.45 C ATOM 319 CD1 LEU A1146 6.736 -8.716 6.679 1.00 16.25 C ATOM 320 CD2 LEU A1146 8.908 -8.337 7.772 1.00 16.03 C ATOM 321 H LEU A1146 9.214 -5.578 5.110 1.00 0.00 H ATOM 322 N SER A1147 11.451 -6.918 3.222 1.00 13.16 N ATOM 323 CA SER A1147 12.312 -7.240 2.092 1.00 13.76 C ATOM 324 C SER A1147 13.754 -7.140 2.559 1.00 15.34 C ATOM 325 O SER A1147 14.470 -8.106 2.436 1.00 17.09 O ATOM 326 CB SER A1147 11.969 -6.387 0.883 1.00 14.98 C ATOM 327 OG SER A1147 10.634 -6.680 0.419 1.00 15.23 O ATOM 328 HG SER A1147 9.985 -6.489 1.142 1.00 0.00 H ATOM 329 H SER A1147 11.238 -5.924 3.443 1.00 0.00 H ATOM 330 N CYS A1148 14.180 -5.969 3.068 1.00 14.80 N ATOM 331 CA CYS A1148 15.593 -5.745 3.391 1.00 14.62 C ATOM 332 C CYS A1148 15.881 -5.543 4.866 1.00 13.99 C ATOM 333 O CYS A1148 17.042 -5.326 5.263 1.00 15.89 O ATOM 334 CB CYS A1148 16.165 -4.605 2.536 1.00 16.28 C ATOM 335 SG CYS A1148 15.564 -2.953 3.094 1.00 20.56 S ATOM 336 H CYS A1148 13.493 -5.207 3.236 1.00 0.00 H ATOM 337 N TYR A1149 14.861 -5.635 5.741 1.00 13.69 N ATOM 338 CA TYR A1149 15.038 -5.683 7.200 1.00 13.68 C ATOM 339 C TYR A1149 15.679 -4.439 7.822 1.00 15.22 C ATOM 340 O TYR A1149 16.173 -4.456 8.956 1.00 16.92 O ATOM 341 CB TYR A1149 15.649 -7.037 7.613 1.00 16.31 C ATOM 342 CG TYR A1149 14.659 -8.136 7.373 1.00 15.81 C ATOM 343 CD1 TYR A1149 14.604 -8.793 6.134 1.00 16.54 C ATOM 344 CD2 TYR A1149 13.764 -8.518 8.376 1.00 16.49 C ATOM 345 CE1 TYR A1149 13.645 -9.781 5.874 1.00 15.72 C ATOM 346 CE2 TYR A1149 12.854 -9.528 8.149 1.00 16.34 C ATOM 347 CZ TYR A1149 12.797 -10.147 6.898 1.00 15.29 C ATOM 348 OH TYR A1149 11.820 -11.087 6.668 1.00 17.02 O ATOM 349 HH TYR A1149 11.908 -11.433 5.745 1.00 0.00 H ATOM 350 H TYR A1149 13.893 -5.674 5.363 1.00 0.00 H ATOM 351 N GLN A1150 15.560 -3.325 7.090 1.00 13.81 N ATOM 352 CA GLN A1150 15.787 -1.980 7.646 1.00 15.17 C ATOM 353 C GLN A1150 14.589 -1.574 8.497 1.00 14.19 C ATOM 354 O GLN A1150 13.459 -1.995 8.252 1.00 14.71 O ATOM 355 CB GLN A1150 16.111 -0.936 6.597 1.00 15.69 C ATOM 356 CG GLN A1150 17.528 -1.213 6.006 1.00 19.16 C ATOM 357 CD GLN A1150 17.814 -0.440 4.747 1.00 21.92 C ATOM 358 OE1 GLN A1150 17.183 0.579 4.432 1.00 22.73 O ATOM 359 NE2 GLN A1150 18.735 -0.998 3.937 1.00 26.03 N ATOM 360 HE22 GLN A1150 19.243 -1.854 4.239 1.00 0.00 H ATOM 361 HE21 GLN A1150 18.938 -0.573 3.010 1.00 0.00 H ATOM 362 H GLN A1150 15.297 -3.412 6.088 1.00 0.00 H ATOM 363 N VAL A1151 14.867 -0.744 9.506 1.00 13.86 N ATOM 364 CA VAL A1151 13.859 -0.303 10.470 1.00 13.28 C ATOM 365 C VAL A1151 13.666 1.206 10.364 1.00 13.85 C ATOM 366 O VAL A1151 14.668 1.961 10.403 1.00 13.58 O ATOM 367 CB VAL A1151 14.302 -0.684 11.922 1.00 12.89 C ATOM 368 CG1 VAL A1151 13.376 -0.105 12.956 1.00 12.92 C ATOM 369 CG2 VAL A1151 14.409 -2.186 12.054 1.00 13.13 C ATOM 370 H VAL A1151 15.842 -0.397 9.611 1.00 0.00 H ATOM 371 N TYR A1152 12.422 1.647 10.188 1.00 12.48 N ATOM 372 CA TYR A1152 12.084 3.010 10.041 1.00 12.56 C ATOM 373 C TYR A1152 10.754 3.324 10.735 1.00 12.41 C ATOM 374 O TYR A1152 9.911 2.451 10.910 1.00 11.67 O ATOM 375 CB TYR A1152 11.976 3.436 8.578 1.00 12.78 C ATOM 376 CG TYR A1152 13.248 3.318 7.791 1.00 13.20 C ATOM 377 CD1 TYR A1152 14.323 4.189 8.055 1.00 15.94 C ATOM 378 CD2 TYR A1152 13.394 2.330 6.851 1.00 16.22 C ATOM 379 CE1 TYR A1152 15.469 4.097 7.336 1.00 16.23 C ATOM 380 CE2 TYR A1152 14.593 2.214 6.106 1.00 15.85 C ATOM 381 CZ TYR A1152 15.615 3.099 6.378 1.00 18.65 C ATOM 382 OH TYR A1152 16.835 2.977 5.698 1.00 20.76 O ATOM 383 HH TYR A1152 17.227 2.087 5.883 1.00 0.00 H ATOM 384 H TYR A1152 11.654 0.946 10.157 1.00 0.00 H ATOM 385 N CYS A1153 10.539 4.585 11.094 1.00 12.45 N ATOM 386 CA CYS A1153 9.383 4.949 11.862 1.00 12.81 C ATOM 387 C CYS A1153 8.076 5.100 11.024 1.00 13.04 C ATOM 388 O CYS A1153 8.070 5.369 9.817 1.00 12.65 O ATOM 389 CB CYS A1153 9.687 6.241 12.683 1.00 14.17 C ATOM 390 SG CYS A1153 9.923 7.731 11.652 1.00 14.59 S ATOM 391 H CYS A1153 11.219 5.320 10.814 1.00 0.00 H ATOM 392 N GLY A1154 6.977 4.992 11.753 1.00 13.05 N ATOM 393 CA GLY A1154 5.649 5.101 11.236 1.00 13.43 C ATOM 394 C GLY A1154 5.183 6.481 10.859 1.00 15.71 C ATOM 395 O GLY A1154 5.815 7.473 11.161 1.00 16.10 O ATOM 396 H GLY A1154 7.087 4.816 12.772 1.00 0.00 H ATOM 397 N ARG A1155 4.017 6.500 10.215 1.00 15.07 N ATOM 398 CA ARG A1155 3.428 7.693 9.653 1.00 15.26 C ATOM 399 C ARG A1155 3.215 8.793 10.677 1.00 15.67 C ATOM 400 O ARG A1155 3.473 9.981 10.376 1.00 15.88 O ATOM 401 CB ARG A1155 2.075 7.347 8.971 1.00 15.73 C ATOM 402 CG ARG A1155 1.038 6.718 9.885 1.00 16.42 C ATOM 403 CD ARG A1155 0.040 5.875 9.099 1.00 16.91 C ATOM 404 NE ARG A1155 -1.053 5.271 9.889 1.00 16.22 N ATOM 405 CZ ARG A1155 -0.887 4.278 10.756 1.00 16.98 C ATOM 406 NH1 ARG A1155 -1.924 3.765 11.427 1.00 18.33 N ATOM 407 NH2 ARG A1155 0.328 3.804 10.954 1.00 17.51 N ATOM 408 HE ARG A1155 -2.014 5.647 9.758 1.00 0.00 H ATOM 409 HH12 ARG A1155 -1.774 2.988 12.102 1.00 0.00 H ATOM 410 HH11 ARG A1155 -2.881 4.143 11.274 1.00 0.00 H ATOM 411 HH22 ARG A1155 0.480 3.027 11.628 1.00 0.00 H ATOM 412 HH21 ARG A1155 1.134 4.207 10.436 1.00 0.00 H ATOM 413 H ARG A1155 3.501 5.603 10.111 1.00 0.00 H ATOM 414 N TYR A1156 2.858 8.382 11.890 1.00 15.92 N ATOM 415 CA TYR A1156 2.530 9.314 12.960 1.00 17.44 C ATOM 416 C TYR A1156 3.747 9.877 13.654 1.00 18.01 C ATOM 417 O TYR A1156 3.591 10.851 14.406 1.00 18.76 O ATOM 418 CB TYR A1156 1.517 8.750 13.962 1.00 17.99 C ATOM 419 CG TYR A1156 0.163 8.486 13.333 1.00 19.45 C ATOM 420 CD1 TYR A1156 -0.498 9.502 12.629 1.00 22.20 C ATOM 421 CD2 TYR A1156 -0.447 7.254 13.435 1.00 20.23 C ATOM 422 CE1 TYR A1156 -1.741 9.286 12.036 1.00 21.02 C ATOM 423 CE2 TYR A1156 -1.679 7.035 12.865 1.00 21.14 C ATOM 424 CZ TYR A1156 -2.317 8.066 12.153 1.00 22.61 C ATOM 425 OH TYR A1156 -3.543 7.907 11.544 1.00 22.58 O ATOM 426 HH TYR A1156 -3.803 8.754 11.102 1.00 0.00 H ATOM 427 H TYR A1156 2.811 7.361 12.081 1.00 0.00 H ATOM 428 N ILE A1157 4.951 9.376 13.367 1.00 16.44 N ATOM 429 CA ILE A1157 6.189 9.946 13.893 1.00 17.31 C ATOM 430 C ILE A1157 6.754 10.828 12.766 1.00 17.59 C ATOM 431 O ILE A1157 6.277 11.955 12.540 1.00 20.02 O ATOM 432 CB ILE A1157 7.138 8.842 14.441 1.00 18.11 C ATOM 433 CG1 ILE A1157 6.365 7.984 15.455 1.00 19.11 C ATOM 434 CG2 ILE A1157 8.374 9.460 15.088 1.00 19.25 C ATOM 435 CD1 ILE A1157 5.796 8.725 16.651 1.00 21.39 C ATOM 436 H ILE A1157 5.010 8.546 12.743 1.00 0.00 H ATOM 437 N ASN A1158 7.733 10.358 12.007 1.00 16.46 N ATOM 438 CA ASN A1158 8.287 11.104 10.940 1.00 17.93 C ATOM 439 C ASN A1158 8.115 10.475 9.548 1.00 18.32 C ATOM 440 O ASN A1158 8.688 10.974 8.588 1.00 18.78 O ATOM 441 CB ASN A1158 9.746 11.382 11.253 1.00 20.59 C ATOM 442 CG ASN A1158 9.894 12.319 12.460 1.00 21.77 C ATOM 443 OD1 ASN A1158 9.219 13.353 12.507 1.00 21.59 O ATOM 444 ND2 ASN A1158 10.740 11.983 13.395 1.00 19.57 N ATOM 445 HD22 ASN A1158 11.286 11.102 13.310 1.00 0.00 H ATOM 446 HD21 ASN A1158 10.868 12.596 14.225 1.00 0.00 H ATOM 447 H ASN A1158 8.107 9.408 12.202 1.00 0.00 H ATOM 448 N GLY A1159 7.363 9.370 9.465 1.00 17.53 N ATOM 449 CA GLY A1159 7.024 8.753 8.154 1.00 15.38 C ATOM 450 C GLY A1159 8.189 8.185 7.388 1.00 15.71 C ATOM 451 O GLY A1159 8.151 8.097 6.151 1.00 16.03 O ATOM 452 H GLY A1159 7.007 8.932 10.339 1.00 0.00 H ATOM 453 N HIS A1160 9.261 7.797 8.083 1.00 13.84 N ATOM 454 CA HIS A1160 10.437 7.291 7.378 1.00 13.51 C ATOM 455 C HIS A1160 10.221 5.931 6.698 1.00 13.66 C ATOM 456 O HIS A1160 10.866 5.682 5.664 1.00 14.35 O ATOM 457 CB HIS A1160 11.670 7.320 8.281 1.00 15.00 C ATOM 458 CG HIS A1160 12.088 8.723 8.539 1.00 16.42 C ATOM 459 ND1 HIS A1160 12.332 9.235 9.803 1.00 17.31 N ATOM 460 CD2 HIS A1160 12.308 9.732 7.659 1.00 18.93 C ATOM 461 CE1 HIS A1160 12.687 10.513 9.672 1.00 19.33 C ATOM 462 NE2 HIS A1160 12.640 10.849 8.391 1.00 18.28 N ATOM 463 H HIS A1160 9.259 7.855 9.121 1.00 0.00 H ATOM 464 N MET A1161 9.321 5.085 7.239 1.00 13.31 N ATOM 465 CA MET A1161 9.056 3.829 6.550 1.00 12.36 C ATOM 466 C MET A1161 8.276 4.077 5.253 1.00 12.83 C ATOM 467 O MET A1161 8.561 3.413 4.227 1.00 13.83 O ATOM 468 CB MET A1161 8.361 2.766 7.422 1.00 12.27 C ATOM 469 CG MET A1161 8.302 1.412 6.728 1.00 12.43 C ATOM 470 SD MET A1161 9.892 0.734 6.250 1.00 12.11 S ATOM 471 CE MET A1161 10.354 -0.073 7.738 1.00 12.83 C ATOM 472 H MET A1161 8.829 5.323 8.124 1.00 0.00 H ATOM 473 N LEU A1162 7.336 5.022 5.293 1.00 14.11 N ATOM 474 CA LEU A1162 6.600 5.392 4.091 1.00 15.42 C ATOM 475 C LEU A1162 7.591 5.954 3.067 1.00 15.83 C ATOM 476 O LEU A1162 7.485 5.632 1.853 1.00 16.80 O ATOM 477 CB LEU A1162 5.498 6.444 4.464 1.00 17.47 C ATOM 478 CG LEU A1162 4.692 6.940 3.275 1.00 23.27 C ATOM 479 CD1 LEU A1162 4.033 5.819 2.520 1.00 23.79 C ATOM 480 CD2 LEU A1162 3.665 7.971 3.766 1.00 24.47 C ATOM 481 H LEU A1162 7.126 5.500 6.192 1.00 0.00 H ATOM 482 N GLN A1163 8.581 6.750 3.525 1.00 15.99 N ATOM 483 CA GLN A1163 9.614 7.270 2.631 1.00 16.43 C ATOM 484 C GLN A1163 10.435 6.116 2.012 1.00 15.01 C ATOM 485 O GLN A1163 10.723 6.080 0.809 1.00 17.28 O ATOM 486 CB GLN A1163 10.499 8.282 3.326 1.00 20.30 C ATOM 487 CG GLN A1163 11.510 8.990 2.463 1.00 25.94 C ATOM 488 CD GLN A1163 12.318 10.023 3.271 1.00 32.82 C ATOM 489 OE1 GLN A1163 11.889 10.470 4.324 1.00 37.42 O ATOM 490 NE2 GLN A1163 13.530 10.363 2.783 1.00 43.57 N ATOM 491 HE22 GLN A1163 13.860 9.961 1.882 1.00 0.00 H ATOM 492 HE21 GLN A1163 14.134 11.027 3.308 1.00 0.00 H ATOM 493 H GLN A1163 8.609 6.998 4.535 1.00 0.00 H ATOM 494 N HIS A1164 10.792 5.140 2.842 1.00 15.46 N ATOM 495 CA HIS A1164 11.563 4.009 2.408 1.00 14.22 C ATOM 496 C HIS A1164 10.776 3.228 1.339 1.00 15.18 C ATOM 497 O HIS A1164 11.340 2.782 0.359 1.00 15.66 O ATOM 498 CB HIS A1164 11.879 3.131 3.569 1.00 14.52 C ATOM 499 CG HIS A1164 12.531 1.841 3.172 1.00 14.52 C ATOM 500 ND1 HIS A1164 13.795 1.823 2.626 1.00 15.84 N ATOM 501 CD2 HIS A1164 12.078 0.563 3.136 1.00 14.49 C ATOM 502 CE1 HIS A1164 14.123 0.576 2.333 1.00 16.94 C ATOM 503 NE2 HIS A1164 13.117 -0.225 2.655 1.00 15.01 N ATOM 504 H HIS A1164 10.503 5.198 3.839 1.00 0.00 H ATOM 505 N HIS A1165 9.490 3.036 1.568 1.00 13.63 N ATOM 506 CA HIS A1165 8.638 2.392 0.549 1.00 13.81 C ATOM 507 C HIS A1165 8.758 3.175 -0.777 1.00 15.35 C ATOM 508 O HIS A1165 8.932 2.589 -1.842 1.00 16.69 O ATOM 509 CB HIS A1165 7.191 2.306 0.977 1.00 15.23 C ATOM 510 CG HIS A1165 6.255 2.008 -0.161 1.00 14.38 C ATOM 511 ND1 HIS A1165 6.221 0.780 -0.783 1.00 15.67 N ATOM 512 CD2 HIS A1165 5.361 2.794 -0.822 1.00 16.41 C ATOM 513 CE1 HIS A1165 5.364 0.837 -1.800 1.00 16.98 C ATOM 514 NE2 HIS A1165 4.807 2.032 -1.836 1.00 16.56 N ATOM 515 H HIS A1165 9.075 3.340 2.472 1.00 0.00 H ATOM 516 N GLY A1166 8.608 4.495 -0.697 1.00 16.00 N ATOM 517 CA GLY A1166 8.598 5.313 -1.919 1.00 17.89 C ATOM 518 C GLY A1166 9.910 5.197 -2.636 1.00 17.77 C ATOM 519 O GLY A1166 9.924 5.199 -3.880 1.00 20.13 O ATOM 520 H GLY A1166 8.498 4.949 0.232 1.00 0.00 H ATOM 521 N ASN A1167 11.023 5.116 -1.913 1.00 16.80 N ATOM 522 CA ASN A1167 12.320 5.080 -2.564 1.00 19.19 C ATOM 523 C ASN A1167 12.871 3.709 -2.872 1.00 19.07 C ATOM 524 O ASN A1167 13.876 3.615 -3.594 1.00 19.45 O ATOM 525 CB ASN A1167 13.358 5.949 -1.881 1.00 24.21 C ATOM 526 CG ASN A1167 13.807 5.460 -0.579 1.00 25.39 C ATOM 527 OD1 ASN A1167 14.091 4.263 -0.407 1.00 28.36 O ATOM 528 ND2 ASN A1167 13.958 6.412 0.393 1.00 29.14 N ATOM 529 HD22 ASN A1167 13.705 7.401 0.196 1.00 0.00 H ATOM 530 HD21 ASN A1167 14.326 6.146 1.329 1.00 0.00 H ATOM 531 H ASN A1167 10.964 5.078 -0.875 1.00 0.00 H ATOM 532 N SER A1168 12.229 2.657 -2.351 1.00 14.96 N ATOM 533 CA SER A1168 12.667 1.299 -2.650 1.00 15.27 C ATOM 534 C SER A1168 11.686 0.474 -3.443 1.00 15.10 C ATOM 535 O SER A1168 12.068 -0.550 -4.051 1.00 15.88 O ATOM 536 CB SER A1168 13.006 0.542 -1.343 1.00 15.71 C ATOM 537 OG SER A1168 11.829 0.266 -0.612 1.00 14.47 O ATOM 538 HG SER A1168 11.377 1.116 -0.384 1.00 0.00 H ATOM 539 H SER A1168 11.411 2.809 -1.728 1.00 0.00 H ATOM 540 N GLY A1169 10.412 0.819 -3.304 1.00 15.30 N ATOM 541 CA GLY A1169 9.287 0.019 -3.788 1.00 15.59 C ATOM 542 C GLY A1169 8.990 -1.197 -2.911 1.00 15.89 C ATOM 543 O GLY A1169 8.138 -1.987 -3.274 1.00 15.58 O ATOM 544 H GLY A1169 10.200 1.715 -2.820 1.00 0.00 H ATOM 545 N HIS A1170 9.641 -1.349 -1.764 1.00 13.62 N ATOM 546 CA HIS A1170 9.397 -2.553 -0.949 1.00 12.71 C ATOM 547 C HIS A1170 7.990 -2.501 -0.352 1.00 12.49 C ATOM 548 O HIS A1170 7.559 -1.476 0.140 1.00 12.70 O ATOM 549 CB HIS A1170 10.439 -2.782 0.134 1.00 13.91 C ATOM 550 CG HIS A1170 11.807 -2.980 -0.382 1.00 13.56 C ATOM 551 ND1 HIS A1170 12.933 -2.788 0.379 1.00 13.96 N ATOM 552 CD2 HIS A1170 12.238 -3.357 -1.615 1.00 13.86 C ATOM 553 CE1 HIS A1170 14.014 -3.012 -0.357 1.00 16.02 C ATOM 554 NE2 HIS A1170 13.618 -3.370 -1.577 1.00 15.15 N ATOM 555 H HIS A1170 10.316 -0.626 -1.444 1.00 0.00 H ATOM 556 N PRO A1171 7.250 -3.599 -0.459 1.00 12.37 N ATOM 557 CA PRO A1171 5.807 -3.585 -0.214 1.00 12.16 C ATOM 558 C PRO A1171 5.332 -3.712 1.215 1.00 11.84 C ATOM 559 O PRO A1171 4.389 -3.042 1.611 1.00 12.34 O ATOM 560 CB PRO A1171 5.318 -4.816 -0.973 1.00 12.82 C ATOM 561 CG PRO A1171 6.484 -5.742 -0.995 1.00 13.46 C ATOM 562 CD PRO A1171 7.689 -4.863 -1.077 1.00 12.93 C ATOM 563 N LEU A1172 5.945 -4.622 1.957 1.00 12.47 N ATOM 564 CA LEU A1172 5.414 -5.161 3.215 1.00 12.47 C ATOM 565 C LEU A1172 6.323 -4.881 4.411 1.00 11.79 C ATOM 566 O LEU A1172 7.565 -5.058 4.343 1.00 12.79 O ATOM 567 CB LEU A1172 5.233 -6.665 3.120 1.00 13.11 C ATOM 568 CG LEU A1172 3.920 -7.013 2.467 1.00 13.65 C ATOM 569 CD1 LEU A1172 4.050 -8.290 1.702 1.00 14.56 C ATOM 570 CD2 LEU A1172 2.765 -7.113 3.424 1.00 13.32 C ATOM 571 H LEU A1172 6.864 -4.979 1.626 1.00 0.00 H ATOM 572 N VAL A1173 5.681 -4.353 5.473 1.00 12.01 N ATOM 573 CA VAL A1173 6.404 -3.885 6.653 1.00 11.99 C ATOM 574 C VAL A1173 5.671 -4.455 7.876 1.00 12.63 C ATOM 575 O VAL A1173 4.455 -4.575 7.873 1.00 13.57 O ATOM 576 CB VAL A1173 6.565 -2.345 6.699 1.00 11.39 C ATOM 577 CG1 VAL A1173 7.433 -1.908 5.536 1.00 11.94 C ATOM 578 CG2 VAL A1173 5.198 -1.597 6.660 1.00 12.65 C ATOM 579 H VAL A1173 4.644 -4.277 5.451 1.00 0.00 H ATOM 580 N LEU A1174 6.433 -4.756 8.914 1.00 11.11 N ATOM 581 CA LEU A1174 5.928 -5.370 10.154 1.00 12.36 C ATOM 582 C LEU A1174 6.102 -4.398 11.334 1.00 12.53 C ATOM 583 O LEU A1174 7.189 -3.818 11.532 1.00 12.07 O ATOM 584 CB LEU A1174 6.656 -6.681 10.448 1.00 13.79 C ATOM 585 CG LEU A1174 6.366 -7.382 11.750 1.00 15.50 C ATOM 586 CD1 LEU A1174 5.005 -7.992 11.653 1.00 18.04 C ATOM 587 CD2 LEU A1174 7.397 -8.414 12.110 1.00 18.25 C ATOM 588 H LEU A1174 7.450 -4.547 8.851 1.00 0.00 H ATOM 589 N SER A1175 4.974 -4.181 12.050 1.00 12.36 N ATOM 590 CA SER A1175 4.972 -3.255 13.178 1.00 12.34 C ATOM 591 C SER A1175 5.622 -3.824 14.386 1.00 13.48 C ATOM 592 O SER A1175 5.271 -4.948 14.876 1.00 13.61 O ATOM 593 CB SER A1175 3.523 -2.903 13.555 1.00 13.17 C ATOM 594 OG SER A1175 3.560 -2.092 14.761 1.00 15.35 O ATOM 595 HG SER A1175 4.080 -1.267 14.587 1.00 0.00 H ATOM 596 H SER A1175 4.098 -4.680 11.793 1.00 0.00 H ATOM 597 N TYR A1176 6.560 -3.067 14.970 1.00 13.47 N ATOM 598 CA TYR A1176 7.123 -3.504 16.256 1.00 13.96 C ATOM 599 C TYR A1176 6.239 -3.148 17.442 1.00 16.22 C ATOM 600 O TYR A1176 6.601 -3.477 18.579 1.00 18.77 O ATOM 601 CB TYR A1176 8.521 -2.935 16.399 1.00 13.90 C ATOM 602 CG TYR A1176 9.607 -3.661 15.618 1.00 12.95 C ATOM 603 CD1 TYR A1176 9.468 -4.988 15.201 1.00 14.10 C ATOM 604 CD2 TYR A1176 10.815 -3.012 15.308 1.00 15.26 C ATOM 605 CE1 TYR A1176 10.483 -5.655 14.533 1.00 14.35 C ATOM 606 CE2 TYR A1176 11.872 -3.686 14.672 1.00 14.34 C ATOM 607 CZ TYR A1176 11.691 -5.007 14.282 1.00 14.75 C ATOM 608 OH TYR A1176 12.668 -5.722 13.653 1.00 16.52 O ATOM 609 HH TYR A1176 13.466 -5.774 14.237 1.00 0.00 H ATOM 610 H TYR A1176 6.884 -2.186 14.522 1.00 0.00 H ATOM 611 N ILE A1177 5.104 -2.472 17.210 1.00 15.25 N ATOM 612 CA ILE A1177 4.082 -2.261 18.262 1.00 17.89 C ATOM 613 C ILE A1177 3.204 -3.488 18.405 1.00 18.76 C ATOM 614 O ILE A1177 3.084 -4.035 19.536 1.00 20.18 O ATOM 615 CB ILE A1177 3.212 -0.998 18.006 1.00 21.41 C ATOM 616 CG1 ILE A1177 4.048 0.272 17.941 1.00 27.19 C ATOM 617 CG2 ILE A1177 2.121 -0.799 19.061 1.00 22.78 C ATOM 618 CD1 ILE A1177 5.157 0.346 18.946 1.00 32.12 C ATOM 619 H ILE A1177 4.936 -2.083 16.260 1.00 0.00 H ATOM 620 N ASP A1178 2.570 -3.922 17.323 1.00 16.13 N ATOM 621 CA ASP A1178 1.559 -4.961 17.448 1.00 19.03 C ATOM 622 C ASP A1178 1.738 -6.155 16.497 1.00 18.46 C ATOM 623 O ASP A1178 0.857 -7.053 16.458 1.00 17.67 O ATOM 624 CB ASP A1178 0.160 -4.362 17.267 1.00 21.69 C ATOM 625 CG ASP A1178 -0.145 -3.988 15.845 1.00 26.28 C ATOM 626 OD1 ASP A1178 0.764 -4.001 14.954 1.00 19.38 O ATOM 627 OD2 ASP A1178 -1.314 -3.672 15.601 1.00 30.38 O ATOM 628 H ASP A1178 2.795 -3.521 16.390 1.00 0.00 H ATOM 629 N LEU A1179 2.873 -6.217 15.789 1.00 15.26 N ATOM 630 CA LEU A1179 3.255 -7.370 14.968 1.00 15.90 C ATOM 631 C LEU A1179 2.277 -7.528 13.808 1.00 16.42 C ATOM 632 O LEU A1179 2.208 -8.593 13.208 1.00 19.58 O ATOM 633 CB LEU A1179 3.423 -8.653 15.790 1.00 17.13 C ATOM 634 CG LEU A1179 4.319 -8.514 17.067 1.00 18.85 C ATOM 635 CD1 LEU A1179 4.450 -9.895 17.665 1.00 20.34 C ATOM 636 CD2 LEU A1179 5.674 -7.939 16.713 1.00 18.85 C ATOM 637 H LEU A1179 3.519 -5.403 15.823 1.00 0.00 H ATOM 638 N SER A1180 1.617 -6.466 13.429 1.00 15.11 N ATOM 639 CA SER A1180 0.796 -6.471 12.219 1.00 15.81 C ATOM 640 C SER A1180 1.684 -6.216 11.005 1.00 15.70 C ATOM 641 O SER A1180 2.674 -5.539 11.109 1.00 15.83 O ATOM 642 CB SER A1180 -0.337 -5.479 12.310 1.00 17.93 C ATOM 643 OG SER A1180 0.084 -4.157 12.309 1.00 22.07 O ATOM 644 HG SER A1180 0.679 -4.001 13.085 1.00 0.00 H ATOM 645 H SER A1180 1.677 -5.599 14.000 1.00 0.00 H ATOM 646 N ALA A1181 1.288 -6.737 9.860 1.00 14.50 N ATOM 647 CA ALA A1181 1.989 -6.510 8.577 1.00 14.09 C ATOM 648 C ALA A1181 1.146 -5.693 7.619 1.00 14.30 C ATOM 649 O ALA A1181 -0.006 -6.026 7.374 1.00 15.43 O ATOM 650 CB ALA A1181 2.363 -7.837 7.948 1.00 13.93 C ATOM 651 H ALA A1181 0.439 -7.338 9.859 1.00 0.00 H ATOM 652 N TRP A1182 1.679 -4.563 7.139 1.00 12.32 N ATOM 653 CA TRP A1182 1.038 -3.649 6.268 1.00 12.52 C ATOM 654 C TRP A1182 1.653 -3.717 4.894 1.00 12.75 C ATOM 655 O TRP A1182 2.888 -3.753 4.740 1.00 12.51 O ATOM 656 CB TRP A1182 1.160 -2.201 6.774 1.00 13.75 C ATOM 657 CG TRP A1182 0.561 -1.155 5.943 1.00 14.59 C ATOM 658 CD1 TRP A1182 1.209 -0.297 5.099 1.00 15.94 C ATOM 659 CD2 TRP A1182 -0.840 -0.828 5.856 1.00 15.38 C ATOM 660 NE1 TRP A1182 0.298 0.562 4.526 1.00 16.19 N ATOM 661 CE2 TRP A1182 -0.964 0.257 4.979 1.00 16.52 C ATOM 662 CE3 TRP A1182 -1.971 -1.312 6.475 1.00 16.56 C ATOM 663 CZ2 TRP A1182 -2.218 0.857 4.674 1.00 16.31 C ATOM 664 CZ3 TRP A1182 -3.216 -0.717 6.175 1.00 16.86 C ATOM 665 CH2 TRP A1182 -3.319 0.357 5.300 1.00 17.22 C ATOM 666 HE1 TRP A1182 0.528 1.323 3.855 1.00 0.00 H ATOM 667 H TRP A1182 2.651 -4.336 7.432 1.00 0.00 H ATOM 668 N CYS A1183 0.805 -3.788 3.874 1.00 12.23 N ATOM 669 CA CYS A1183 1.264 -3.649 2.528 1.00 13.17 C ATOM 670 C CYS A1183 0.941 -2.267 1.976 1.00 12.73 C ATOM 671 O CYS A1183 -0.245 -1.868 1.897 1.00 13.47 O ATOM 672 CB CYS A1183 0.618 -4.674 1.583 1.00 13.61 C ATOM 673 SG CYS A1183 1.192 -4.492 -0.150 1.00 12.81 S ATOM 674 H CYS A1183 -0.206 -3.947 4.058 1.00 0.00 H ATOM 675 N TYR A1184 1.942 -1.538 1.563 1.00 12.63 N ATOM 676 CA TYR A1184 1.705 -0.163 1.116 1.00 14.60 C ATOM 677 C TYR A1184 0.976 -0.083 -0.245 1.00 16.14 C ATOM 678 O TYR A1184 0.322 0.925 -0.532 1.00 16.40 O ATOM 679 CB TYR A1184 3.010 0.652 1.003 1.00 14.38 C ATOM 680 CG TYR A1184 3.666 1.051 2.308 1.00 13.24 C ATOM 681 CD1 TYR A1184 3.132 2.095 3.064 1.00 15.40 C ATOM 682 CD2 TYR A1184 4.825 0.400 2.798 1.00 14.46 C ATOM 683 CE1 TYR A1184 3.721 2.483 4.248 1.00 14.72 C ATOM 684 CE2 TYR A1184 5.375 0.760 4.018 1.00 14.35 C ATOM 685 CZ TYR A1184 4.835 1.801 4.722 1.00 16.03 C ATOM 686 OH TYR A1184 5.410 2.137 5.903 1.00 15.05 O ATOM 687 HH TYR A1184 4.921 2.900 6.301 1.00 0.00 H ATOM 688 H TYR A1184 2.904 -1.932 1.551 1.00 0.00 H ATOM 689 N TYR A1185 1.144 -1.091 -1.072 1.00 15.57 N ATOM 690 CA TYR A1185 0.512 -1.124 -2.383 1.00 16.00 C ATOM 691 C TYR A1185 -0.937 -1.435 -2.269 1.00 17.35 C ATOM 692 O TYR A1185 -1.799 -0.747 -2.844 1.00 16.95 O ATOM 693 CB TYR A1185 1.152 -2.184 -3.251 1.00 16.15 C ATOM 694 CG TYR A1185 2.542 -1.923 -3.718 1.00 15.63 C ATOM 695 CD1 TYR A1185 2.783 -1.098 -4.819 1.00 19.25 C ATOM 696 CD2 TYR A1185 3.656 -2.530 -3.118 1.00 15.51 C ATOM 697 CE1 TYR A1185 4.095 -0.878 -5.272 1.00 19.63 C ATOM 698 CE2 TYR A1185 4.932 -2.309 -3.539 1.00 15.76 C ATOM 699 CZ TYR A1185 5.174 -1.488 -4.647 1.00 17.83 C ATOM 700 OH TYR A1185 6.465 -1.294 -5.093 1.00 18.05 O ATOM 701 HH TYR A1185 7.005 -0.887 -4.370 1.00 0.00 H ATOM 702 H TYR A1185 1.746 -1.888 -0.781 1.00 0.00 H ATOM 703 N CYS A1186 -1.246 -2.479 -1.504 1.00 16.31 N ATOM 704 CA CYS A1186 -2.657 -2.916 -1.303 1.00 17.16 C ATOM 705 C CYS A1186 -3.383 -2.006 -0.309 1.00 18.74 C ATOM 706 O CYS A1186 -4.621 -2.007 -0.267 1.00 18.84 O ATOM 707 CB CYS A1186 -2.677 -4.369 -0.839 1.00 16.84 C ATOM 708 SG CYS A1186 -2.026 -5.551 -2.081 1.00 18.55 S ATOM 709 H CYS A1186 -0.482 -3.005 -1.033 1.00 0.00 H ATOM 710 N GLN A1187 -2.628 -1.211 0.450 1.00 16.30 N ATOM 711 CA GLN A1187 -3.157 -0.314 1.487 1.00 20.73 C ATOM 712 C GLN A1187 -4.052 -1.117 2.424 1.00 18.75 C ATOM 713 O GLN A1187 -5.197 -0.753 2.757 1.00 19.75 O ATOM 714 CB GLN A1187 -3.868 0.919 0.910 1.00 23.09 C ATOM 715 CG GLN A1187 -3.176 1.551 -0.269 1.00 27.08 C ATOM 716 CD GLN A1187 -4.079 2.649 -0.880 1.00 35.09 C ATOM 717 OE1 GLN A1187 -4.753 2.447 -1.887 1.00 41.70 O ATOM 718 NE2 GLN A1187 -4.144 3.763 -0.212 1.00 36.86 N ATOM 719 HE22 GLN A1187 -3.557 3.896 0.636 1.00 0.00 H ATOM 720 HE21 GLN A1187 -4.783 4.521 -0.526 1.00 0.00 H ATOM 721 H GLN A1187 -1.599 -1.227 0.298 1.00 0.00 H ATOM 722 N ALA A1188 -3.483 -2.199 2.914 1.00 16.75 N ATOM 723 CA ALA A1188 -4.171 -3.100 3.807 1.00 16.79 C ATOM 724 C ALA A1188 -3.220 -3.867 4.656 1.00 17.32 C ATOM 725 O ALA A1188 -2.067 -4.064 4.259 1.00 15.62 O ATOM 726 CB ALA A1188 -5.046 -4.072 3.045 1.00 17.84 C ATOM 727 H ALA A1188 -2.501 -2.412 2.647 1.00 0.00 H ATOM 728 N TYR A1189 -3.745 -4.359 5.792 1.00 16.31 N ATOM 729 CA TYR A1189 -3.013 -5.357 6.591 1.00 15.99 C ATOM 730 C TYR A1189 -3.170 -6.713 5.951 1.00 16.26 C ATOM 731 O TYR A1189 -4.215 -6.997 5.326 1.00 17.57 O ATOM 732 CB TYR A1189 -3.528 -5.369 8.021 1.00 17.57 C ATOM 733 CG TYR A1189 -3.152 -4.149 8.763 1.00 17.68 C ATOM 734 CD1 TYR A1189 -1.860 -4.008 9.247 1.00 18.70 C ATOM 735 CD2 TYR A1189 -4.105 -3.160 9.061 1.00 18.66 C ATOM 736 CE1 TYR A1189 -1.502 -2.865 9.976 1.00 20.90 C ATOM 737 CE2 TYR A1189 -3.734 -1.998 9.735 1.00 20.49 C ATOM 738 CZ TYR A1189 -2.475 -1.900 10.218 1.00 22.14 C ATOM 739 OH TYR A1189 -2.160 -0.751 10.900 1.00 24.84 O ATOM 740 HH TYR A1189 -2.756 -0.661 11.685 1.00 0.00 H ATOM 741 H TYR A1189 -4.679 -4.031 6.110 1.00 0.00 H ATOM 742 N VAL A1190 -2.152 -7.546 6.081 1.00 14.82 N ATOM 743 CA VAL A1190 -2.097 -8.862 5.467 1.00 14.60 C ATOM 744 C VAL A1190 -1.628 -9.842 6.486 1.00 16.01 C ATOM 745 O VAL A1190 -0.683 -9.604 7.266 1.00 15.68 O ATOM 746 CB VAL A1190 -1.148 -8.898 4.242 1.00 15.39 C ATOM 747 CG1 VAL A1190 -1.126 -10.287 3.582 1.00 16.97 C ATOM 748 CG2 VAL A1190 -1.457 -7.780 3.255 1.00 17.71 C ATOM 749 H VAL A1190 -1.342 -7.241 6.657 1.00 0.00 H ATOM 750 N HIS A1191 -2.249 -11.020 6.528 1.00 16.16 N ATOM 751 CA HIS A1191 -1.689 -12.110 7.313 1.00 16.38 C ATOM 752 C HIS A1191 -1.733 -13.386 6.525 1.00 17.51 C ATOM 753 O HIS A1191 -2.766 -13.678 5.935 1.00 18.80 O ATOM 754 CB HIS A1191 -2.393 -12.288 8.686 1.00 18.22 C ATOM 755 CG HIS A1191 -1.819 -13.405 9.494 1.00 19.34 C ATOM 756 ND1 HIS A1191 -0.587 -13.304 10.127 1.00 19.44 N ATOM 757 CD2 HIS A1191 -2.210 -14.699 9.632 1.00 21.07 C ATOM 758 CE1 HIS A1191 -0.284 -14.463 10.673 1.00 20.03 C ATOM 759 NE2 HIS A1191 -1.255 -15.335 10.390 1.00 21.25 N ATOM 760 H HIS A1191 -3.134 -11.161 6.000 1.00 0.00 H ATOM 761 N HIS A1192 -0.636 -14.138 6.550 1.00 15.69 N ATOM 762 CA HIS A1192 -0.531 -15.332 5.760 1.00 19.25 C ATOM 763 C HIS A1192 0.537 -16.158 6.389 1.00 21.55 C ATOM 764 O HIS A1192 1.349 -15.664 7.134 1.00 19.17 O ATOM 765 CB HIS A1192 -0.221 -14.903 4.304 1.00 18.63 C ATOM 766 CG HIS A1192 -0.073 -16.012 3.314 1.00 20.62 C ATOM 767 ND1 HIS A1192 1.067 -16.788 3.200 1.00 23.41 N ATOM 768 CD2 HIS A1192 -0.926 -16.455 2.357 1.00 24.85 C ATOM 769 CE1 HIS A1192 0.910 -17.655 2.210 1.00 24.85 C ATOM 770 NE2 HIS A1192 -0.301 -17.502 1.706 1.00 24.77 N ATOM 771 H HIS A1192 0.162 -13.855 7.154 1.00 0.00 H ATOM 772 N GLN A1193 0.563 -17.453 6.095 1.00 23.99 N ATOM 773 CA GLN A1193 1.635 -18.312 6.578 1.00 25.92 C ATOM 774 C GLN A1193 3.060 -17.885 6.193 1.00 24.38 C ATOM 775 O GLN A1193 4.009 -18.163 6.932 1.00 27.83 O ATOM 776 CB GLN A1193 1.368 -19.749 6.078 1.00 33.26 C ATOM 777 CG GLN A1193 0.163 -20.385 6.725 1.00 38.21 C ATOM 778 CD GLN A1193 0.300 -20.484 8.229 1.00 44.16 C ATOM 779 OE1 GLN A1193 1.242 -21.114 8.743 1.00 56.87 O ATOM 780 NE2 GLN A1193 -0.635 -19.870 8.949 1.00 46.28 N ATOM 781 HE22 GLN A1193 -1.403 -19.356 8.473 1.00 0.00 H ATOM 782 HE21 GLN A1193 -0.598 -19.904 9.988 1.00 0.00 H ATOM 783 H GLN A1193 -0.195 -17.860 5.510 1.00 0.00 H ATOM 784 N ALA A1194 3.238 -17.169 5.103 1.00 22.45 N ATOM 785 CA ALA A1194 4.546 -16.687 4.690 1.00 23.96 C ATOM 786 C ALA A1194 5.073 -15.674 5.733 1.00 22.65 C ATOM 787 O ALA A1194 6.267 -15.396 5.737 1.00 25.38 O ATOM 788 CB ALA A1194 4.486 -16.046 3.318 1.00 24.31 C ATOM 789 H ALA A1194 2.412 -16.939 4.515 1.00 0.00 H ATOM 790 N LEU A1195 4.177 -15.096 6.537 1.00 20.71 N ATOM 791 CA LEU A1195 4.565 -14.124 7.602 1.00 19.04 C ATOM 792 C LEU A1195 4.697 -14.692 9.016 1.00 21.64 C ATOM 793 O LEU A1195 5.074 -13.952 9.962 1.00 18.36 O ATOM 794 CB LEU A1195 3.541 -13.003 7.633 1.00 19.85 C ATOM 795 CG LEU A1195 3.287 -12.300 6.304 1.00 19.51 C ATOM 796 CD1 LEU A1195 2.233 -11.240 6.412 1.00 19.64 C ATOM 797 CD2 LEU A1195 4.580 -11.729 5.777 1.00 23.33 C ATOM 798 H LEU A1195 3.171 -15.332 6.417 1.00 0.00 H ATOM 799 N LEU A1196 4.323 -15.949 9.231 1.00 21.01 N ATOM 800 CA LEU A1196 4.296 -16.507 10.577 1.00 22.14 C ATOM 801 C LEU A1196 5.680 -16.536 11.187 1.00 21.28 C ATOM 802 O LEU A1196 5.814 -16.181 12.372 1.00 21.35 O ATOM 803 CB LEU A1196 3.728 -17.959 10.617 1.00 24.12 C ATOM 804 H LEU A1196 4.045 -16.545 8.425 1.00 0.00 H ATOM 805 N ASP A1197 6.708 -16.990 10.432 1.00 22.97 N ATOM 806 CA ASP A1197 8.068 -17.075 11.039 1.00 25.90 C ATOM 807 C ASP A1197 8.554 -15.716 11.512 1.00 22.64 C ATOM 808 O ASP A1197 9.032 -15.615 12.615 1.00 22.78 O ATOM 809 CB ASP A1197 9.148 -17.673 10.106 1.00 30.01 C ATOM 810 CG ASP A1197 8.954 -19.183 9.840 1.00 36.51 C ATOM 811 OD1 ASP A1197 8.276 -19.898 10.617 1.00 34.89 O ATOM 812 OD2 ASP A1197 9.504 -19.638 8.818 1.00 45.03 O ATOM 813 H ASP A1197 6.552 -17.275 9.444 1.00 0.00 H ATOM 814 N VAL A1198 8.440 -14.668 10.679 1.00 19.83 N ATOM 815 CA VAL A1198 8.929 -13.371 11.095 1.00 20.23 C ATOM 816 C VAL A1198 8.109 -12.834 12.254 1.00 17.88 C ATOM 817 O VAL A1198 8.652 -12.230 13.182 1.00 18.62 O ATOM 818 CB VAL A1198 9.019 -12.415 9.904 1.00 21.26 C ATOM 819 CG1 VAL A1198 7.649 -11.994 9.380 1.00 20.24 C ATOM 820 CG2 VAL A1198 9.793 -11.214 10.239 1.00 20.81 C ATOM 821 H VAL A1198 8.004 -14.788 9.743 1.00 0.00 H ATOM 822 N LYS A1199 6.783 -13.019 12.239 1.00 16.76 N ATOM 823 CA LYS A1199 5.962 -12.541 13.379 1.00 16.10 C ATOM 824 C LYS A1199 6.372 -13.236 14.666 1.00 15.35 C ATOM 825 O LYS A1199 6.463 -12.613 15.746 1.00 18.44 O ATOM 826 CB LYS A1199 4.444 -12.756 13.163 1.00 17.38 C ATOM 827 CG LYS A1199 3.902 -11.778 12.115 1.00 16.87 C ATOM 828 CD LYS A1199 2.410 -11.862 11.943 1.00 17.07 C ATOM 829 CE LYS A1199 1.879 -10.828 11.005 1.00 17.53 C ATOM 830 NZ LYS A1199 0.401 -10.731 11.070 1.00 17.37 N ATOM 831 HZ1 LYS A1199 -0.017 -11.649 10.815 1.00 0.00 H ATOM 832 HZ2 LYS A1199 0.114 -10.474 12.036 1.00 0.00 H ATOM 833 HZ3 LYS A1199 0.073 -10.002 10.404 1.00 0.00 H ATOM 834 H LYS A1199 6.331 -13.495 11.433 1.00 0.00 H ATOM 835 N ASN A1200 6.567 -14.548 14.572 1.00 17.31 N ATOM 836 CA ASN A1200 6.880 -15.319 15.754 1.00 17.13 C ATOM 837 C ASN A1200 8.272 -14.950 16.312 1.00 16.20 C ATOM 838 O ASN A1200 8.432 -14.872 17.508 1.00 18.74 O ATOM 839 CB ASN A1200 6.861 -16.807 15.501 1.00 19.22 C ATOM 840 CG ASN A1200 5.449 -17.381 15.351 1.00 20.60 C ATOM 841 OD1 ASN A1200 4.478 -16.814 15.793 1.00 23.81 O ATOM 842 ND2 ASN A1200 5.372 -18.508 14.692 1.00 25.56 N ATOM 843 HD22 ASN A1200 6.237 -18.959 14.330 1.00 0.00 H ATOM 844 HD21 ASN A1200 4.446 -18.953 14.530 1.00 0.00 H ATOM 845 H ASN A1200 6.494 -15.020 13.648 1.00 0.00 H ATOM 846 N ILE A1201 9.237 -14.693 15.455 1.00 17.71 N ATOM 847 CA ILE A1201 10.580 -14.219 15.904 1.00 18.90 C ATOM 848 C ILE A1201 10.471 -12.859 16.592 1.00 18.08 C ATOM 849 O ILE A1201 11.066 -12.607 17.661 1.00 18.96 O ATOM 850 CB ILE A1201 11.581 -14.173 14.703 1.00 19.73 C ATOM 851 CG1 ILE A1201 11.916 -15.572 14.167 1.00 22.64 C ATOM 852 CG2 ILE A1201 12.862 -13.470 15.063 1.00 24.23 C ATOM 853 H ILE A1201 9.060 -14.823 14.439 1.00 0.00 H ATOM 854 N ALA A1202 9.748 -11.948 15.955 1.00 16.19 N ATOM 855 CA ALA A1202 9.454 -10.655 16.563 1.00 16.29 C ATOM 856 C ALA A1202 8.722 -10.790 17.912 1.00 17.44 C ATOM 857 O ALA A1202 9.034 -10.138 18.894 1.00 18.32 O ATOM 858 CB ALA A1202 8.634 -9.823 15.614 1.00 16.94 C ATOM 859 H ALA A1202 9.384 -12.159 15.004 1.00 0.00 H ATOM 860 N HIS A1203 7.722 -11.661 17.976 1.00 17.32 N ATOM 861 CA HIS A1203 7.010 -11.888 19.244 1.00 19.71 C ATOM 862 C HIS A1203 7.947 -12.417 20.325 1.00 20.19 C ATOM 863 O HIS A1203 7.900 -11.927 21.478 1.00 19.96 O ATOM 864 CB HIS A1203 5.871 -12.878 19.014 1.00 23.52 C ATOM 865 CG HIS A1203 4.927 -13.014 20.165 1.00 27.84 C ATOM 866 ND1 HIS A1203 5.215 -13.808 21.254 1.00 30.55 N ATOM 867 CD2 HIS A1203 3.676 -12.537 20.366 1.00 33.82 C ATOM 868 CE1 HIS A1203 4.205 -13.773 22.100 1.00 30.56 C ATOM 869 NE2 HIS A1203 3.260 -13.008 21.592 1.00 35.45 N ATOM 870 H HIS A1203 7.440 -12.187 17.124 1.00 0.00 H ATOM 871 N GLN A1204 8.805 -13.353 19.956 1.00 19.41 N ATOM 872 CA GLN A1204 9.764 -13.946 20.943 1.00 22.25 C ATOM 873 C GLN A1204 10.735 -12.869 21.440 1.00 23.32 C ATOM 874 O GLN A1204 11.034 -12.820 22.640 1.00 24.24 O ATOM 875 CB GLN A1204 10.537 -15.097 20.370 1.00 25.64 C ATOM 876 CG GLN A1204 9.727 -16.310 19.952 1.00 30.45 C ATOM 877 H GLN A1204 8.814 -13.681 18.969 1.00 0.00 H ATOM 878 N ASN A1205 11.155 -11.963 20.551 1.00 20.05 N ATOM 879 CA ASN A1205 12.080 -10.883 20.935 1.00 20.01 C ATOM 880 C ASN A1205 11.360 -9.832 21.804 1.00 20.62 C ATOM 881 O ASN A1205 11.940 -9.301 22.812 1.00 20.73 O ATOM 882 CB ASN A1205 12.740 -10.245 19.704 1.00 21.22 C ATOM 883 CG ASN A1205 13.813 -9.214 20.081 1.00 23.44 C ATOM 884 OD1 ASN A1205 13.587 -8.000 19.976 1.00 25.12 O ATOM 885 ND2 ASN A1205 14.935 -9.690 20.631 1.00 23.40 N ATOM 886 HD22 ASN A1205 15.085 -10.717 20.700 1.00 0.00 H ATOM 887 HD21 ASN A1205 15.657 -9.033 20.990 1.00 0.00 H ATOM 888 H ASN A1205 10.822 -12.022 19.568 1.00 0.00 H ATOM 889 N LYS A1206 10.116 -9.540 21.467 1.00 18.66 N ATOM 890 CA LYS A1206 9.331 -8.519 22.178 1.00 19.47 C ATOM 891 C LYS A1206 8.876 -8.910 23.559 1.00 23.47 C ATOM 892 O LYS A1206 9.039 -8.174 24.504 1.00 20.40 O ATOM 893 CB LYS A1206 8.108 -8.103 21.367 1.00 19.47 C ATOM 894 CG LYS A1206 7.340 -6.931 21.933 1.00 18.66 C ATOM 895 CD LYS A1206 6.341 -6.334 20.974 1.00 18.13 C ATOM 896 CE LYS A1206 5.570 -5.118 21.465 1.00 17.28 C ATOM 897 NZ LYS A1206 6.305 -3.870 21.292 1.00 18.23 N ATOM 898 HZ1 LYS A1206 7.196 -3.917 21.826 1.00 0.00 H ATOM 899 HZ2 LYS A1206 6.512 -3.728 20.283 1.00 0.00 H ATOM 900 HZ3 LYS A1206 5.730 -3.079 21.644 1.00 0.00 H ATOM 901 H LYS A1206 9.677 -10.049 20.673 1.00 0.00 H ATOM 902 N PHE A1207 8.327 -10.123 23.634 1.00 26.34 N ATOM 903 CA PHE A1207 7.767 -10.678 24.861 1.00 30.57 C ATOM 904 C PHE A1207 8.686 -11.856 25.226 1.00 34.54 C ATOM 905 O PHE A1207 8.756 -12.232 26.383 1.00 49.52 O ATOM 906 CB PHE A1207 6.308 -11.144 24.594 1.00 28.19 C ATOM 907 CG PHE A1207 5.414 -10.087 23.979 1.00 29.54 C ATOM 908 CD1 PHE A1207 4.896 -9.041 24.748 1.00 29.95 C ATOM 909 CD2 PHE A1207 5.091 -10.126 22.613 1.00 31.02 C ATOM 910 CE1 PHE A1207 4.085 -8.060 24.164 1.00 30.84 C ATOM 911 CE2 PHE A1207 4.277 -9.159 22.022 1.00 31.63 C ATOM 912 CZ PHE A1207 3.757 -8.122 22.799 1.00 31.32 C ATOM 913 H PHE A1207 8.297 -10.704 22.772 1.00 0.00 H TER 914 PHE A1207 HETATM 915 ZN ZN A 1 13.004 -2.288 2.385 1.00 17.26 ZN HETATM 916 ZN ZN A 2 12.200 8.160 11.556 1.00 17.54 ZN HETATM 917 ZN ZN A 3 0.160 -6.172 -1.364 1.00 16.53 ZN HETATM 918 O HOH 4 20.370 -12.356 17.474 1.00 34.82 O HETATM 919 O HOH 5 -3.754 -16.737 4.568 1.00 25.43 O HETATM 920 O HOH 6 17.864 -8.315 11.395 1.00 35.74 O HETATM 921 O HOH 7 4.797 0.183 14.584 1.00 21.22 O HETATM 922 O HOH 8 15.282 -5.389 13.783 1.00 17.39 O HETATM 923 O HOH 9 14.460 -3.959 -4.008 1.00 29.18 O HETATM 924 O HOH 10 6.104 5.725 7.823 1.00 14.02 O HETATM 925 O HOH 11 17.276 6.467 19.890 1.00 25.01 O HETATM 926 O HOH 12 11.718 -0.133 17.652 1.00 17.33 O HETATM 927 O HOH 13 8.476 -6.083 1.864 1.00 17.55 O HETATM 928 O HOH 14 8.311 -14.590 -0.141 1.00 36.07 O HETATM 929 O HOH 15 3.291 12.452 11.367 1.00 31.63 O HETATM 930 O HOH 16 6.223 3.228 19.888 1.00 30.50 O HETATM 931 O HOH 17 10.989 -2.693 -5.247 1.00 29.59 O HETATM 932 O HOH 18 21.453 -17.237 14.022 1.00 29.91 O HETATM 933 O HOH 19 3.067 2.494 13.980 1.00 36.53 O HETATM 934 O HOH 20 -3.995 1.177 11.336 1.00 36.35 O HETATM 935 O HOH 21 8.095 -16.430 4.032 1.00 33.73 O HETATM 936 O HOH 22 8.080 -15.071 7.720 1.00 24.33 O HETATM 937 O HOH 23 3.456 3.034 -3.963 1.00 23.93 O HETATM 938 O HOH 24 -1.161 -8.187 15.040 1.00 32.36 O HETATM 939 O HOH 25 6.553 -18.303 7.878 1.00 26.77 O HETATM 940 O HOH 26 17.776 1.193 12.332 1.00 19.24 O HETATM 941 O HOH 27 19.309 -4.059 4.433 1.00 27.18 O HETATM 942 O HOH 28 11.281 3.501 -5.530 1.00 21.00 O HETATM 943 O HOH 29 10.187 -11.702 -5.138 1.00 32.64 O HETATM 944 O HOH 30 10.193 -8.360 26.983 1.00 25.66 O HETATM 945 O HOH 31 10.110 -1.414 20.787 1.00 20.79 O HETATM 946 O HOH 32 13.659 9.494 0.175 1.00 42.23 O HETATM 947 O HOH 33 12.851 -6.732 23.212 1.00 21.61 O HETATM 948 O HOH 34 -0.936 -8.534 9.799 1.00 16.60 O HETATM 949 O HOH 35 -0.944 -10.033 13.383 1.00 23.12 O HETATM 950 O HOH 36 6.870 10.034 4.614 1.00 28.79 O HETATM 951 O HOH 37 15.117 -6.368 21.786 1.00 40.00 O HETATM 952 O HOH 38 16.211 -6.060 11.248 1.00 23.43 O HETATM 953 O HOH 39 18.390 -3.464 10.348 1.00 27.50 O HETATM 954 O HOH 40 11.782 1.026 20.699 1.00 23.13 O HETATM 955 O HOH 41 13.562 -13.553 18.614 1.00 29.14 O HETATM 956 O HOH 42 8.820 -0.476 2.477 1.00 33.37 O HETATM 957 O HOH 43 2.970 5.744 13.163 1.00 20.18 O HETATM 958 O HOH 44 6.004 6.935 -0.222 1.00 29.17 O HETATM 959 O HOH 45 15.572 -12.368 16.990 1.00 30.64 O HETATM 960 O HOH 46 4.613 -1.714 22.137 1.00 28.34 O HETATM 961 O HOH 47 -1.714 -18.631 4.784 1.00 24.81 O HETATM 962 O HOH 48 -2.799 -3.535 13.136 1.00 36.24 O HETATM 963 O HOH 49 2.265 -13.053 -3.314 1.00 24.51 O HETATM 964 O HOH 50 2.350 -12.716 -6.291 1.00 31.30 O HETATM 965 O HOH 51 -4.609 -0.228 -3.330 1.00 40.62 O HETATM 966 O HOH 52 10.470 -14.444 6.079 1.00 32.89 O HETATM 967 O HOH 53 7.696 -19.841 13.519 1.00 35.03 O HETATM 968 O HOH 54 17.622 0.291 9.629 1.00 21.02 O HETATM 969 O HOH 55 9.046 1.133 18.001 1.00 18.78 O HETATM 970 O HOH 56 -1.887 -19.141 -0.181 1.00 33.99 O HETATM 971 O HOH 57 4.578 -8.293 -6.325 1.00 20.20 O HETATM 972 O HOH 58 -6.631 -3.904 6.329 1.00 26.33 O HETATM 973 O HOH 59 16.287 -15.717 12.844 1.00 38.33 O HETATM 974 O HOH 60 18.734 2.274 7.980 1.00 32.08 O HETATM 975 O HOH 61 18.293 -11.889 18.186 1.00 43.16 O HETATM 976 O HOH 62 12.530 -16.711 7.052 1.00 44.63 O HETATM 977 O HOH 63 18.188 -1.280 20.277 1.00 30.65 O HETATM 978 O HOH 64 12.996 8.613 20.584 1.00 24.01 O HETATM 979 O HOH 65 7.262 13.952 14.916 1.00 35.91 O HETATM 980 O HOH 66 7.884 -0.793 19.650 1.00 34.61 O HETATM 981 O HOH 67 -0.401 2.631 2.085 1.00 29.56 O HETATM 982 O HOH 68 16.773 -5.574 23.749 1.00 35.19 O HETATM 983 O HOH 69 19.657 -1.410 9.312 1.00 34.87 O HETATM 984 O HOH 70 16.332 -0.751 -2.379 1.00 34.87 O HETATM 985 O HOH 71 -2.443 -4.101 -4.975 1.00 22.37 O HETATM 986 O HOH 72 16.360 -15.001 15.578 1.00 42.34 O HETATM 987 O HOH 73 16.986 0.107 0.334 1.00 38.29 O HETATM 988 O HOH 74 20.120 2.470 13.168 1.00 36.26 O HETATM 989 O HOH 75 3.220 14.615 16.934 1.00 22.69 O HETATM 990 C1 EYA A 76 0.444 2.514 7.520 1.00 0.15 C HETATM 991 C2 EYA A 76 1.393 1.686 8.320 1.00 0.05 C HETATM 992 C3 EYA A 76 2.853 1.966 7.980 1.00 0.02 C HETATM 993 C4 EYA A 76 3.376 3.367 8.230 1.00 0.04 C HETATM 994 O1 EYA A 76 4.255 3.845 7.508 1.00 -0.57 O HETATM 995 O EYA A 76 2.862 3.956 9.310 1.00 -0.57 O HETATM 996 H3 EYA A 76 2.989 1.750 6.910 1.00 0.05 H HETATM 997 H4 EYA A 76 3.468 1.274 8.575 1.00 0.05 H HETATM 998 H1 EYA A 76 1.184 0.624 8.124 1.00 0.06 H HETATM 999 H2 EYA A 76 1.233 1.901 9.387 1.00 0.06 H HETATM 1000 N1 EYA A 76 0.937 3.330 6.656 1.00 -0.31 N HETATM 1001 C5 EYA A 76 0.060 4.113 5.906 1.00 0.01 C HETATM 1002 C6 EYA A 76 0.591 4.975 4.944 1.00 -0.05 C HETATM 1003 C7 EYA A 76 -0.255 5.771 4.189 1.00 -0.07 C HETATM 1004 C8 EYA A 76 -1.620 5.714 4.381 1.00 -0.07 C HETATM 1005 C9 EYA A 76 -2.163 4.873 5.331 1.00 -0.05 C HETATM 1006 C10 EYA A 76 -1.321 4.062 6.097 1.00 0.06 C HETATM 1007 C11 EYA A 76 -1.857 3.163 7.077 1.00 0.24 C HETATM 1008 N EYA A 76 -0.922 2.379 7.762 1.00 -0.18 N HETATM 1009 C EYA A 76 -1.411 1.419 8.737 1.00 0.06 C HETATM 1010 H8 EYA A 76 -0.560 0.886 9.185 1.00 0.06 H HETATM 1011 H9 EYA A 76 -2.075 0.697 8.239 1.00 0.06 H HETATM 1012 H10 EYA A 76 -1.968 1.948 9.524 1.00 0.06 H HETATM 1013 O2 EYA A 76 -3.034 3.093 7.341 1.00 -0.39 O HETATM 1014 H11 EYA A 76 -3.236 4.842 5.482 1.00 0.06 H HETATM 1015 H7 EYA A 76 -2.273 6.336 3.780 1.00 0.06 H HETATM 1016 H6 EYA A 76 0.158 6.442 3.444 1.00 0.06 H HETATM 1017 H5 EYA A 76 1.663 5.021 4.788 1.00 0.06 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 47 46 917 CONECT 62 61 64 917 CONECT 203 202 916 CONECT 224 223 916 CONECT 311 310 915 CONECT 335 334 915 CONECT 390 389 916 CONECT 459 458 461 916 CONECT 503 501 502 915 CONECT 551 550 553 915 CONECT 673 672 917 CONECT 708 707 917 CONECT 915 311 335 503 551 CONECT 916 203 224 390 459 CONECT 917 47 62 673 708 CONECT 990 991 1000 1008 CONECT 991 990 992 998 999 CONECT 992 991 993 996 997 CONECT 993 992 994 995 CONECT 994 993 CONECT 995 993 CONECT 996 992 CONECT 997 992 CONECT 998 991 CONECT 999 991 CONECT 1000 990 1001 CONECT 1001 1000 1002 1006 CONECT 1002 1001 1003 1017 CONECT 1003 1002 1004 1016 CONECT 1004 1003 1005 1015 CONECT 1005 1004 1006 1014 CONECT 1006 1001 1005 1007 CONECT 1007 1006 1008 1013 CONECT 1008 990 1007 1009 CONECT 1009 1008 1010 1011 1012 CONECT 1010 1009 CONECT 1011 1009 CONECT 1012 1009 CONECT 1013 1007 CONECT 1014 1005 CONECT 1015 1004 CONECT 1016 1003 CONECT 1017 1002 MASTER 0 0 0 0 0 0 0 0 1016 1 46 8 END
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Structure:
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Related entries of code: 6ced
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%
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
6ced
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Histone deacetylase 6
Ligand Name
EYA
EC.Number
E.C.3.5.1.98
Resolution
1.7(Å)
Affinity (Kd/Ki/IC50)
Kd=1.5uM
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)CCc1nc2ccccc2c(=O)n1C
InChI String
InChI=1S/C12H12N2O3/c1-14-10(6-7-11(15)16)13-9-5-3-2-4-8(9)12(14)17/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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times since Nov 2007.
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