Browse entries in the PDBbind-CN Database
HEADER 6CEF_COMPLEX COMPND 6CEF_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 100 PRO LEU PRO TRP CYS PRO HIS LEU VAL ALA VAL CYS PRO SEQRES 2 A 100 ILE PRO ALA ALA GLY LEU ASP VAL THR GLN PRO CYS GLY SEQRES 3 A 100 ASP CYS GLY THR ILE GLN GLU ASN TRP VAL CYS LEU SER SEQRES 4 A 100 CYS TYR GLN VAL TYR CYS GLY ARG TYR ILE ASN GLY HIS SEQRES 5 A 100 MET LEU GLN HIS HIS GLY ASN SER GLY HIS PRO LEU VAL SEQRES 6 A 100 LEU SER TYR ILE ASP LEU SER ALA TRP CYS TYR TYR CYS SEQRES 7 A 100 GLN ALA TYR VAL HIS HIS GLN ALA LEU LEU ASP VAL LYS SEQRES 8 A 100 ASN ILE ALA HIS GLN ASN LYS PHE GLY HET ZN A 1 1 HET ZN A 2 1 HET ZN A 3 1 HET EYJ A 194 22 ATOM 1 N PRO A1109 -8.845 -6.872 7.567 1.00 23.09 N ATOM 2 CA PRO A1109 -7.547 -7.227 6.933 1.00 20.68 C ATOM 3 C PRO A1109 -7.623 -8.387 5.947 1.00 20.45 C ATOM 4 O PRO A1109 -8.325 -9.406 6.194 1.00 19.83 O ATOM 5 CB PRO A1109 -6.734 -7.840 8.046 1.00 23.28 C ATOM 6 CG PRO A1109 -7.774 -8.413 8.932 1.00 24.52 C ATOM 7 CD PRO A1109 -8.860 -7.357 8.944 1.00 26.17 C ATOM 8 HN2 PRO A1109 -9.623 -7.312 7.035 1.00 0.00 H ATOM 9 HN1 PRO A1109 -8.963 -5.839 7.561 1.00 0.00 H ATOM 10 N LEU A1110 -6.760 -8.303 4.953 1.00 13.36 N ATOM 11 CA LEU A1110 -6.837 -9.221 3.826 1.00 12.90 C ATOM 12 C LEU A1110 -6.212 -10.537 4.237 1.00 12.86 C ATOM 13 O LEU A1110 -5.120 -10.551 4.845 1.00 12.85 O ATOM 14 CB LEU A1110 -6.031 -8.629 2.662 1.00 11.77 C ATOM 15 CG LEU A1110 -6.492 -7.325 2.068 1.00 12.84 C ATOM 16 CD1 LEU A1110 -5.498 -6.737 1.088 1.00 14.19 C ATOM 17 CD2 LEU A1110 -7.805 -7.519 1.367 1.00 14.88 C ATOM 18 H LEU A1110 -6.018 -7.575 4.975 1.00 0.00 H ATOM 19 N PRO A1111 -6.780 -11.672 3.761 1.00 13.03 N ATOM 20 CA PRO A1111 -6.136 -12.935 3.983 1.00 13.15 C ATOM 21 C PRO A1111 -5.040 -13.314 3.001 1.00 12.26 C ATOM 22 O PRO A1111 -4.452 -14.400 3.137 1.00 13.02 O ATOM 23 CB PRO A1111 -7.338 -13.921 3.821 1.00 15.95 C ATOM 24 CG PRO A1111 -8.174 -13.286 2.762 1.00 13.95 C ATOM 25 CD PRO A1111 -8.044 -11.789 3.007 1.00 14.34 C ATOM 26 N TRP A1112 -4.705 -12.426 2.065 1.00 11.02 N ATOM 27 CA TRP A1112 -3.656 -12.624 1.069 1.00 9.85 C ATOM 28 C TRP A1112 -3.443 -11.281 0.390 1.00 9.61 C ATOM 29 O TRP A1112 -4.386 -10.458 0.289 1.00 11.29 O ATOM 30 CB TRP A1112 -4.129 -13.686 0.017 1.00 9.11 C ATOM 31 CG TRP A1112 -3.117 -14.101 -1.049 1.00 8.71 C ATOM 32 CD1 TRP A1112 -2.161 -15.051 -0.914 1.00 9.64 C ATOM 33 CD2 TRP A1112 -2.899 -13.514 -2.337 1.00 9.00 C ATOM 34 NE1 TRP A1112 -1.360 -15.122 -2.015 1.00 9.95 N ATOM 35 CE2 TRP A1112 -1.772 -14.199 -2.928 1.00 9.48 C ATOM 36 CE3 TRP A1112 -3.547 -12.508 -3.079 1.00 9.77 C ATOM 37 CZ2 TRP A1112 -1.325 -13.933 -4.176 1.00 10.13 C ATOM 38 CZ3 TRP A1112 -3.080 -12.244 -4.351 1.00 9.90 C ATOM 39 CH2 TRP A1112 -2.008 -12.995 -4.907 1.00 9.53 C ATOM 40 HE1 TRP A1112 -0.561 -15.777 -2.138 1.00 0.00 H ATOM 41 H TRP A1112 -5.228 -11.528 2.043 1.00 0.00 H ATOM 42 N CYS A1113 -2.257 -11.081 -0.179 1.00 9.25 N ATOM 43 CA CYS A1113 -2.073 -10.025 -1.188 1.00 8.64 C ATOM 44 C CYS A1113 -0.980 -10.391 -2.162 1.00 8.36 C ATOM 45 O CYS A1113 -0.187 -11.288 -1.875 1.00 8.40 O ATOM 46 CB CYS A1113 -1.837 -8.663 -0.557 1.00 7.78 C ATOM 47 SG CYS A1113 -0.100 -8.097 -0.395 1.00 7.39 S ATOM 48 H CYS A1113 -1.450 -11.678 0.092 1.00 0.00 H ATOM 49 N PRO A1114 -0.984 -9.728 -3.325 1.00 10.06 N ATOM 50 CA PRO A1114 -0.105 -10.149 -4.390 1.00 10.48 C ATOM 51 C PRO A1114 1.349 -9.730 -4.162 1.00 10.37 C ATOM 52 O PRO A1114 2.168 -10.026 -5.024 1.00 9.48 O ATOM 53 CB PRO A1114 -0.689 -9.476 -5.636 1.00 11.78 C ATOM 54 CG PRO A1114 -1.482 -8.314 -5.121 1.00 11.04 C ATOM 55 CD PRO A1114 -2.043 -8.839 -3.794 1.00 10.36 C ATOM 56 N HIS A1115 1.631 -9.048 -3.048 1.00 8.82 N ATOM 57 CA HIS A1115 3.004 -8.703 -2.651 1.00 8.76 C ATOM 58 C HIS A1115 3.636 -9.633 -1.665 1.00 9.11 C ATOM 59 O HIS A1115 4.839 -9.443 -1.324 1.00 9.05 O ATOM 60 CB HIS A1115 3.052 -7.267 -2.201 1.00 8.56 C ATOM 61 CG HIS A1115 2.416 -6.360 -3.207 1.00 8.39 C ATOM 62 ND1 HIS A1115 1.079 -6.001 -3.132 1.00 8.74 N ATOM 63 CD2 HIS A1115 2.865 -5.911 -4.421 1.00 9.10 C ATOM 64 CE1 HIS A1115 0.762 -5.305 -4.234 1.00 9.23 C ATOM 65 NE2 HIS A1115 1.837 -5.207 -5.017 1.00 8.55 N ATOM 66 H HIS A1115 0.846 -8.748 -2.436 1.00 0.00 H ATOM 67 N LEU A1116 2.892 -10.596 -1.148 1.00 8.95 N ATOM 68 CA LEU A1116 3.490 -11.613 -0.218 1.00 10.65 C ATOM 69 C LEU A1116 4.713 -12.325 -0.811 1.00 11.60 C ATOM 70 O LEU A1116 5.636 -12.705 -0.039 1.00 10.34 O ATOM 71 CB LEU A1116 2.457 -12.663 0.259 1.00 10.54 C ATOM 72 CG LEU A1116 1.358 -12.146 1.157 1.00 10.85 C ATOM 73 CD1 LEU A1116 0.267 -13.175 1.371 1.00 10.41 C ATOM 74 CD2 LEU A1116 1.951 -11.663 2.493 1.00 10.48 C ATOM 75 H LEU A1116 1.881 -10.650 -1.388 1.00 0.00 H ATOM 76 N VAL A1117 4.797 -12.400 -2.145 1.00 11.61 N ATOM 77 CA VAL A1117 5.974 -12.989 -2.795 1.00 14.91 C ATOM 78 C VAL A1117 7.254 -12.210 -2.524 1.00 15.33 C ATOM 79 O VAL A1117 8.279 -12.727 -2.702 1.00 15.02 O ATOM 80 CB VAL A1117 5.834 -13.114 -4.297 1.00 15.88 C ATOM 81 CG1 VAL A1117 4.838 -14.184 -4.613 1.00 17.42 C ATOM 82 CG2 VAL A1117 5.433 -11.788 -4.938 1.00 17.18 C ATOM 83 H VAL A1117 4.017 -12.036 -2.729 1.00 0.00 H ATOM 84 N ALA A1118 7.162 -10.952 -2.077 1.00 13.82 N ATOM 85 CA ALA A1118 8.329 -10.160 -1.800 1.00 13.31 C ATOM 86 C ALA A1118 8.798 -10.238 -0.362 1.00 11.30 C ATOM 87 O ALA A1118 9.774 -9.585 -0.027 1.00 12.33 O ATOM 88 CB ALA A1118 8.011 -8.704 -2.226 1.00 13.25 C ATOM 89 H ALA A1118 6.221 -10.536 -1.926 1.00 0.00 H ATOM 90 N VAL A1119 8.107 -10.997 0.505 1.00 10.89 N ATOM 91 CA VAL A1119 8.544 -11.257 1.895 1.00 10.72 C ATOM 92 C VAL A1119 9.774 -12.176 1.868 1.00 12.40 C ATOM 93 O VAL A1119 9.745 -13.270 1.236 1.00 13.02 O ATOM 94 CB VAL A1119 7.414 -11.847 2.769 1.00 11.33 C ATOM 95 CG1 VAL A1119 7.850 -12.280 4.164 1.00 11.31 C ATOM 96 CG2 VAL A1119 6.280 -10.837 2.861 1.00 11.01 C ATOM 97 H VAL A1119 7.216 -11.425 0.182 1.00 0.00 H ATOM 98 N CYS A1120 10.866 -11.720 2.472 1.00 10.40 N ATOM 99 CA CYS A1120 12.137 -12.417 2.361 1.00 11.40 C ATOM 100 C CYS A1120 12.448 -13.167 3.674 1.00 11.94 C ATOM 101 O CYS A1120 11.855 -12.977 4.745 1.00 13.08 O ATOM 102 CB CYS A1120 13.243 -11.491 1.919 1.00 10.52 C ATOM 103 SG CYS A1120 13.022 -10.766 0.278 1.00 11.27 S ATOM 104 H CYS A1120 10.810 -10.847 3.035 1.00 0.00 H ATOM 105 N PRO A1121 13.394 -14.107 3.600 1.00 13.02 N ATOM 106 CA PRO A1121 13.758 -14.784 4.821 1.00 13.61 C ATOM 107 C PRO A1121 14.298 -13.888 5.923 1.00 13.43 C ATOM 108 O PRO A1121 15.039 -12.909 5.710 1.00 14.16 O ATOM 109 CB PRO A1121 14.907 -15.744 4.375 1.00 12.90 C ATOM 110 CG PRO A1121 14.685 -15.894 2.950 1.00 12.06 C ATOM 111 CD PRO A1121 14.123 -14.630 2.438 1.00 12.80 C ATOM 112 N ILE A1122 13.951 -14.297 7.126 1.00 15.13 N ATOM 113 CA ILE A1122 14.323 -13.564 8.321 1.00 16.18 C ATOM 114 C ILE A1122 15.831 -13.706 8.557 1.00 17.25 C ATOM 115 O ILE A1122 16.366 -14.847 8.484 1.00 17.32 O ATOM 116 CB ILE A1122 13.649 -14.111 9.577 1.00 19.50 C ATOM 117 CG1 ILE A1122 12.141 -14.132 9.384 1.00 20.01 C ATOM 118 CG2 ILE A1122 13.997 -13.212 10.754 1.00 22.61 C ATOM 119 H ILE A1122 13.394 -15.170 7.222 1.00 0.00 H ATOM 120 N PRO A1123 16.512 -12.589 8.799 1.00 14.11 N ATOM 121 CA PRO A1123 17.957 -12.727 9.099 1.00 15.12 C ATOM 122 C PRO A1123 18.187 -13.638 10.305 1.00 14.14 C ATOM 123 O PRO A1123 17.377 -13.643 11.241 1.00 14.21 O ATOM 124 CB PRO A1123 18.407 -11.316 9.390 1.00 16.11 C ATOM 125 CG PRO A1123 17.402 -10.447 8.685 1.00 14.91 C ATOM 126 CD PRO A1123 16.123 -11.157 8.695 1.00 15.14 C ATOM 127 N ALA A1124 19.288 -14.397 10.249 1.00 14.89 N ATOM 128 CA ALA A1124 19.671 -15.322 11.309 1.00 15.03 C ATOM 129 C ALA A1124 19.982 -14.503 12.594 1.00 15.71 C ATOM 130 O ALA A1124 19.857 -15.025 13.691 1.00 16.45 O ATOM 131 CB ALA A1124 20.893 -16.146 10.897 1.00 14.53 C ATOM 132 H ALA A1124 19.899 -14.324 9.410 1.00 0.00 H ATOM 133 N ALA A1125 20.310 -13.251 12.452 1.00 15.33 N ATOM 134 CA ALA A1125 20.441 -12.376 13.636 1.00 19.92 C ATOM 135 C ALA A1125 19.095 -12.200 14.405 1.00 21.10 C ATOM 136 O ALA A1125 19.061 -11.838 15.604 1.00 22.25 O ATOM 137 CB ALA A1125 21.054 -11.037 13.244 1.00 21.68 C ATOM 138 H ALA A1125 20.481 -12.865 11.501 1.00 0.00 H ATOM 139 N GLY A1126 17.983 -12.481 13.747 1.00 16.18 N ATOM 140 CA GLY A1126 16.672 -12.269 14.333 1.00 16.68 C ATOM 141 C GLY A1126 16.235 -10.776 14.258 1.00 16.41 C ATOM 142 O GLY A1126 16.862 -9.918 13.551 1.00 13.94 O ATOM 143 H GLY A1126 18.050 -12.865 12.783 1.00 0.00 H ATOM 144 N LEU A1127 15.131 -10.493 14.942 1.00 13.06 N ATOM 145 CA LEU A1127 14.601 -9.093 14.954 1.00 12.95 C ATOM 146 C LEU A1127 14.843 -8.470 16.310 1.00 12.97 C ATOM 147 O LEU A1127 14.828 -9.182 17.321 1.00 12.47 O ATOM 148 CB LEU A1127 13.082 -9.105 14.720 1.00 13.45 C ATOM 149 CG LEU A1127 12.720 -9.770 13.397 1.00 14.19 C ATOM 150 CD1 LEU A1127 11.244 -9.965 13.366 1.00 14.66 C ATOM 151 CD2 LEU A1127 13.285 -8.983 12.221 1.00 15.46 C ATOM 152 H LEU A1127 14.637 -11.242 15.467 1.00 0.00 H ATOM 153 N ASP A1128 14.977 -7.133 16.332 1.00 12.18 N ATOM 154 CA ASP A1128 15.094 -6.366 17.578 1.00 12.09 C ATOM 155 C ASP A1128 13.985 -5.334 17.575 1.00 9.55 C ATOM 156 O ASP A1128 14.104 -4.349 16.871 1.00 8.72 O ATOM 157 CB ASP A1128 16.431 -5.648 17.683 1.00 12.46 C ATOM 158 CG ASP A1128 16.538 -4.783 18.927 1.00 13.89 C ATOM 159 OD1 ASP A1128 15.598 -4.713 19.756 1.00 12.53 O ATOM 160 OD2 ASP A1128 17.580 -4.138 19.065 1.00 18.71 O ATOM 161 H ASP A1128 14.999 -6.620 15.428 1.00 0.00 H ATOM 162 N VAL A1129 12.921 -5.600 18.304 1.00 8.19 N ATOM 163 CA VAL A1129 11.730 -4.750 18.274 1.00 9.01 C ATOM 164 C VAL A1129 11.970 -3.355 18.895 1.00 8.72 C ATOM 165 O VAL A1129 11.149 -2.452 18.715 1.00 8.65 O ATOM 166 CB VAL A1129 10.459 -5.369 18.962 1.00 10.04 C ATOM 167 CG1 VAL A1129 10.070 -6.671 18.232 1.00 12.14 C ATOM 168 CG2 VAL A1129 10.614 -5.491 20.453 1.00 10.58 C ATOM 169 H VAL A1129 12.927 -6.439 18.919 1.00 0.00 H ATOM 170 N THR A1130 13.083 -3.224 19.621 1.00 8.96 N ATOM 171 CA THR A1130 13.510 -1.903 20.161 1.00 10.11 C ATOM 172 C THR A1130 14.530 -1.169 19.270 1.00 10.09 C ATOM 173 O THR A1130 14.974 -0.079 19.624 1.00 12.17 O ATOM 174 CB THR A1130 14.061 -2.006 21.563 1.00 10.58 C ATOM 175 OG1 THR A1130 15.335 -2.637 21.543 1.00 9.84 O ATOM 176 CG2 THR A1130 13.145 -2.753 22.446 1.00 10.90 C ATOM 177 HG1 THR A1130 15.246 -3.546 21.161 1.00 0.00 H ATOM 178 H THR A1130 13.665 -4.064 19.814 1.00 0.00 H ATOM 179 N GLN A1131 14.770 -1.655 18.063 1.00 9.75 N ATOM 180 CA GLN A1131 15.703 -1.013 17.141 1.00 10.29 C ATOM 181 C GLN A1131 15.169 0.392 16.758 1.00 11.69 C ATOM 182 O GLN A1131 14.014 0.522 16.409 1.00 11.43 O ATOM 183 CB GLN A1131 15.835 -1.831 15.875 1.00 9.98 C ATOM 184 CG GLN A1131 16.912 -1.378 14.931 1.00 9.57 C ATOM 185 CD GLN A1131 17.279 -2.408 13.855 1.00 10.11 C ATOM 186 OE1 GLN A1131 17.167 -3.623 14.075 1.00 10.58 O ATOM 187 NE2 GLN A1131 17.735 -1.928 12.694 1.00 8.83 N ATOM 188 HE22 GLN A1131 17.813 -0.901 12.551 1.00 0.00 H ATOM 189 HE21 GLN A1131 18.012 -2.582 11.934 1.00 0.00 H ATOM 190 H GLN A1131 14.279 -2.521 17.762 1.00 0.00 H ATOM 191 N PRO A1132 16.036 1.407 16.752 1.00 10.95 N ATOM 192 CA PRO A1132 15.546 2.733 16.339 1.00 10.83 C ATOM 193 C PRO A1132 15.400 2.928 14.852 1.00 9.95 C ATOM 194 O PRO A1132 15.950 2.132 14.085 1.00 8.99 O ATOM 195 CB PRO A1132 16.583 3.652 16.938 1.00 11.68 C ATOM 196 CG PRO A1132 17.860 2.850 16.907 1.00 12.88 C ATOM 197 CD PRO A1132 17.443 1.432 17.221 1.00 11.61 C ATOM 198 N CYS A1133 14.764 4.032 14.457 1.00 9.21 N ATOM 199 CA CYS A1133 14.618 4.333 13.071 1.00 9.19 C ATOM 200 C CYS A1133 16.003 4.489 12.458 1.00 9.52 C ATOM 201 O CYS A1133 16.811 5.279 12.992 1.00 9.36 O ATOM 202 CB CYS A1133 13.868 5.605 12.857 1.00 9.42 C ATOM 203 SG CYS A1133 13.699 6.172 11.150 1.00 7.59 S ATOM 204 H CYS A1133 14.370 4.681 15.168 1.00 0.00 H ATOM 205 N GLY A1134 16.233 3.865 11.324 1.00 8.77 N ATOM 206 CA GLY A1134 17.530 4.014 10.643 1.00 10.42 C ATOM 207 C GLY A1134 17.873 5.392 10.105 1.00 11.53 C ATOM 208 O GLY A1134 19.052 5.629 9.779 1.00 12.69 O ATOM 209 H GLY A1134 15.495 3.263 10.906 1.00 0.00 H ATOM 210 N ASP A1135 16.896 6.279 9.989 1.00 12.09 N ATOM 211 CA ASP A1135 17.092 7.660 9.477 1.00 13.40 C ATOM 212 C ASP A1135 17.157 8.658 10.637 1.00 12.74 C ATOM 213 O ASP A1135 18.149 9.398 10.824 1.00 14.20 O ATOM 214 CB ASP A1135 15.971 8.053 8.521 1.00 13.76 C ATOM 215 CG ASP A1135 16.066 7.388 7.173 1.00 16.18 C ATOM 216 OD1 ASP A1135 17.179 6.916 6.769 1.00 16.73 O ATOM 217 OD2 ASP A1135 14.997 7.387 6.505 1.00 16.19 O ATOM 218 H ASP A1135 15.937 5.992 10.272 1.00 0.00 H ATOM 219 N CYS A1136 16.133 8.710 11.455 1.00 11.18 N ATOM 220 CA CYS A1136 16.141 9.754 12.522 1.00 10.53 C ATOM 221 C CYS A1136 16.478 9.292 13.927 1.00 10.92 C ATOM 222 O CYS A1136 16.590 10.116 14.878 1.00 10.47 O ATOM 223 CB CYS A1136 14.785 10.420 12.536 1.00 10.55 C ATOM 224 SG CYS A1136 13.380 9.442 13.098 1.00 9.48 S ATOM 225 H CYS A1136 15.339 8.044 11.363 1.00 0.00 H ATOM 226 N GLY A1137 16.610 7.976 14.137 1.00 9.80 N ATOM 227 CA GLY A1137 16.941 7.430 15.452 1.00 10.24 C ATOM 228 C GLY A1137 15.821 7.390 16.473 1.00 9.77 C ATOM 229 O GLY A1137 16.069 7.010 17.617 1.00 10.44 O ATOM 230 H GLY A1137 16.473 7.322 13.340 1.00 0.00 H ATOM 231 N THR A1138 14.605 7.793 16.134 1.00 8.96 N ATOM 232 CA THR A1138 13.499 7.710 17.117 1.00 9.63 C ATOM 233 C THR A1138 13.303 6.303 17.567 1.00 10.53 C ATOM 234 O THR A1138 13.479 5.331 16.777 1.00 9.74 O ATOM 235 CB THR A1138 12.165 8.272 16.598 1.00 10.32 C ATOM 236 OG1 THR A1138 11.170 8.244 17.627 1.00 10.45 O ATOM 237 CG2 THR A1138 11.626 7.469 15.423 1.00 10.30 C ATOM 238 HG1 THR A1138 11.473 8.793 18.393 1.00 0.00 H ATOM 239 H THR A1138 14.427 8.167 15.180 1.00 0.00 H ATOM 240 N ILE A1139 12.927 6.175 18.841 1.00 11.29 N ATOM 241 CA ILE A1139 12.567 4.872 19.384 1.00 13.07 C ATOM 242 C ILE A1139 11.086 4.607 19.264 1.00 13.23 C ATOM 243 O ILE A1139 10.679 3.517 19.626 1.00 14.29 O ATOM 244 CB ILE A1139 13.042 4.665 20.818 1.00 16.07 C ATOM 245 CG1 ILE A1139 12.316 5.567 21.838 1.00 19.40 C ATOM 246 CG2 ILE A1139 14.588 4.846 20.824 1.00 18.60 C ATOM 247 CD1 ILE A1139 12.830 5.310 23.289 1.00 19.91 C ATOM 248 H ILE A1139 12.891 7.015 19.453 1.00 0.00 H ATOM 249 N GLN A1140 10.316 5.548 18.710 1.00 12.92 N ATOM 250 CA GLN A1140 8.866 5.484 18.702 1.00 12.56 C ATOM 251 C GLN A1140 8.267 4.983 17.355 1.00 11.48 C ATOM 252 O GLN A1140 8.716 5.408 16.300 1.00 11.51 O ATOM 253 CB GLN A1140 8.266 6.865 18.972 1.00 13.66 C ATOM 254 CG GLN A1140 8.733 7.461 20.289 1.00 17.50 C ATOM 255 CD GLN A1140 8.041 8.794 20.566 1.00 18.56 C ATOM 256 OE1 GLN A1140 6.841 8.827 20.560 1.00 21.02 O ATOM 257 NE2 GLN A1140 8.779 9.832 20.797 1.00 21.28 N ATOM 258 HE22 GLN A1140 9.815 9.745 20.790 1.00 0.00 H ATOM 259 HE21 GLN A1140 8.336 10.753 20.990 1.00 0.00 H ATOM 260 H GLN A1140 10.778 6.366 18.263 1.00 0.00 H ATOM 261 N GLU A1141 7.248 4.150 17.460 1.00 10.79 N ATOM 262 CA GLU A1141 6.436 3.719 16.350 1.00 11.34 C ATOM 263 C GLU A1141 7.269 3.294 15.120 1.00 9.98 C ATOM 264 O GLU A1141 7.093 3.795 14.017 1.00 9.61 O ATOM 265 CB GLU A1141 5.375 4.789 16.036 1.00 13.49 C ATOM 266 CG GLU A1141 4.317 4.813 17.153 1.00 16.57 C ATOM 267 CD GLU A1141 3.428 6.060 17.179 1.00 19.32 C ATOM 268 OE1 GLU A1141 3.281 6.719 16.111 1.00 20.93 O ATOM 269 OE2 GLU A1141 2.897 6.384 18.300 1.00 25.33 O ATOM 270 H GLU A1141 7.016 3.781 18.404 1.00 0.00 H ATOM 271 N ASN A1142 8.219 2.409 15.344 1.00 8.73 N ATOM 272 CA ASN A1142 8.978 1.861 14.226 1.00 8.56 C ATOM 273 C ASN A1142 8.322 0.619 13.630 1.00 7.98 C ATOM 274 O ASN A1142 7.500 -0.089 14.259 1.00 8.18 O ATOM 275 CB ASN A1142 10.439 1.575 14.668 1.00 8.74 C ATOM 276 CG ASN A1142 11.207 2.863 14.926 1.00 9.88 C ATOM 277 OD1 ASN A1142 11.268 3.719 14.030 1.00 9.92 O ATOM 278 ND2 ASN A1142 11.765 3.022 16.182 1.00 9.34 N ATOM 279 HD22 ASN A1142 11.678 2.265 16.889 1.00 0.00 H ATOM 280 HD21 ASN A1142 12.271 3.899 16.419 1.00 0.00 H ATOM 281 H ASN A1142 8.427 2.102 16.316 1.00 0.00 H ATOM 282 N TRP A1143 8.697 0.389 12.388 1.00 8.07 N ATOM 283 CA TRP A1143 8.311 -0.754 11.529 1.00 7.85 C ATOM 284 C TRP A1143 9.576 -1.400 10.947 1.00 7.85 C ATOM 285 O TRP A1143 10.599 -0.736 10.835 1.00 6.90 O ATOM 286 CB TRP A1143 7.425 -0.274 10.405 1.00 8.05 C ATOM 287 CG TRP A1143 6.100 0.381 10.869 1.00 8.40 C ATOM 288 CD1 TRP A1143 5.934 1.570 11.557 1.00 8.40 C ATOM 289 CD2 TRP A1143 4.783 -0.173 10.693 1.00 8.79 C ATOM 290 NE1 TRP A1143 4.600 1.762 11.832 1.00 9.97 N ATOM 291 CE2 TRP A1143 3.865 0.723 11.303 1.00 9.74 C ATOM 292 CE3 TRP A1143 4.292 -1.354 10.110 1.00 9.13 C ATOM 293 CZ2 TRP A1143 2.510 0.493 11.284 1.00 10.80 C ATOM 294 CZ3 TRP A1143 2.995 -1.571 10.086 1.00 9.43 C ATOM 295 CH2 TRP A1143 2.080 -0.669 10.676 1.00 10.28 C ATOM 296 HE1 TRP A1143 4.206 2.568 12.359 1.00 0.00 H ATOM 297 H TRP A1143 9.337 1.090 11.962 1.00 0.00 H ATOM 298 N VAL A1144 9.489 -2.703 10.633 1.00 7.29 N ATOM 299 CA VAL A1144 10.596 -3.421 10.012 1.00 7.60 C ATOM 300 C VAL A1144 10.123 -3.776 8.604 1.00 6.81 C ATOM 301 O VAL A1144 9.000 -4.260 8.412 1.00 6.49 O ATOM 302 CB VAL A1144 11.090 -4.643 10.800 1.00 7.69 C ATOM 303 CG1 VAL A1144 10.001 -5.729 11.026 1.00 8.14 C ATOM 304 CG2 VAL A1144 12.347 -5.197 10.116 1.00 7.92 C ATOM 305 H VAL A1144 8.607 -3.214 10.839 1.00 0.00 H ATOM 306 N CYS A1145 10.968 -3.527 7.612 1.00 6.75 N ATOM 307 CA CYS A1145 10.647 -3.932 6.261 1.00 7.27 C ATOM 308 C CYS A1145 10.773 -5.488 6.047 1.00 7.36 C ATOM 309 O CYS A1145 11.824 -6.088 6.356 1.00 7.22 O ATOM 310 CB CYS A1145 11.590 -3.219 5.260 1.00 7.49 C ATOM 311 SG CYS A1145 11.235 -3.645 3.520 1.00 7.31 S ATOM 312 H CYS A1145 11.865 -3.038 7.807 1.00 0.00 H ATOM 313 N LEU A1146 9.767 -6.115 5.508 1.00 7.28 N ATOM 314 CA LEU A1146 9.773 -7.560 5.367 1.00 7.62 C ATOM 315 C LEU A1146 10.474 -8.019 4.101 1.00 8.15 C ATOM 316 O LEU A1146 10.515 -9.250 3.855 1.00 8.70 O ATOM 317 CB LEU A1146 8.385 -8.140 5.477 1.00 7.77 C ATOM 318 CG LEU A1146 7.635 -7.918 6.810 1.00 7.55 C ATOM 319 CD1 LEU A1146 6.240 -8.510 6.771 1.00 8.47 C ATOM 320 CD2 LEU A1146 8.467 -8.471 7.910 1.00 7.36 C ATOM 321 H LEU A1146 8.946 -5.572 5.173 1.00 0.00 H ATOM 322 N SER A1147 10.986 -7.082 3.302 1.00 7.55 N ATOM 323 CA SER A1147 11.884 -7.457 2.172 1.00 8.22 C ATOM 324 C SER A1147 13.338 -7.364 2.613 1.00 9.12 C ATOM 325 O SER A1147 14.063 -8.326 2.499 1.00 11.29 O ATOM 326 CB SER A1147 11.607 -6.693 0.933 1.00 7.41 C ATOM 327 OG SER A1147 10.277 -6.935 0.457 1.00 7.30 O ATOM 328 HG SER A1147 10.123 -6.412 -0.369 1.00 0.00 H ATOM 329 H SER A1147 10.757 -6.081 3.468 1.00 0.00 H ATOM 330 N CYS A1148 13.762 -6.224 3.185 1.00 8.16 N ATOM 331 CA CYS A1148 15.176 -6.008 3.490 1.00 8.39 C ATOM 332 C CYS A1148 15.550 -5.856 4.983 1.00 8.25 C ATOM 333 O CYS A1148 16.747 -5.660 5.330 1.00 8.61 O ATOM 334 CB CYS A1148 15.650 -4.768 2.711 1.00 8.55 C ATOM 335 SG CYS A1148 15.115 -3.148 3.355 1.00 9.51 S ATOM 336 H CYS A1148 13.071 -5.481 3.415 1.00 0.00 H ATOM 337 N TYR A1149 14.551 -5.845 5.843 1.00 7.82 N ATOM 338 CA TYR A1149 14.712 -5.887 7.296 1.00 8.64 C ATOM 339 C TYR A1149 15.402 -4.652 7.882 1.00 8.50 C ATOM 340 O TYR A1149 15.872 -4.677 9.046 1.00 8.16 O ATOM 341 CB TYR A1149 15.331 -7.232 7.719 1.00 8.95 C ATOM 342 CG TYR A1149 14.320 -8.335 7.518 1.00 8.67 C ATOM 343 CD1 TYR A1149 13.370 -8.620 8.513 1.00 9.24 C ATOM 344 CD2 TYR A1149 14.228 -9.010 6.308 1.00 8.65 C ATOM 345 CE1 TYR A1149 12.428 -9.573 8.320 1.00 8.76 C ATOM 346 CE2 TYR A1149 13.288 -9.985 6.100 1.00 8.56 C ATOM 347 CZ TYR A1149 12.400 -10.280 7.076 1.00 9.04 C ATOM 348 OH TYR A1149 11.422 -11.213 6.827 1.00 9.17 O ATOM 349 HH TYR A1149 11.844 -12.080 6.604 1.00 0.00 H ATOM 350 H TYR A1149 13.584 -5.804 5.463 1.00 0.00 H ATOM 351 N GLN A1150 15.403 -3.565 7.114 1.00 7.49 N ATOM 352 CA GLN A1150 15.661 -2.226 7.677 1.00 8.69 C ATOM 353 C GLN A1150 14.452 -1.750 8.544 1.00 7.78 C ATOM 354 O GLN A1150 13.298 -2.146 8.309 1.00 8.63 O ATOM 355 CB GLN A1150 16.120 -1.203 6.643 1.00 9.87 C ATOM 356 CG GLN A1150 17.422 -1.590 5.917 1.00 12.53 C ATOM 357 CD GLN A1150 17.587 -0.791 4.636 1.00 15.53 C ATOM 358 OE1 GLN A1150 17.232 0.340 4.616 1.00 20.72 O ATOM 359 NE2 GLN A1150 18.188 -1.386 3.564 1.00 22.24 N ATOM 360 HE22 GLN A1150 18.485 -2.381 3.621 1.00 0.00 H ATOM 361 HE21 GLN A1150 18.348 -0.844 2.691 1.00 0.00 H ATOM 362 H GLN A1150 15.218 -3.662 6.095 1.00 0.00 H ATOM 363 N VAL A1151 14.757 -0.898 9.520 1.00 7.37 N ATOM 364 CA VAL A1151 13.779 -0.406 10.525 1.00 7.65 C ATOM 365 C VAL A1151 13.681 1.103 10.356 1.00 7.49 C ATOM 366 O VAL A1151 14.689 1.859 10.361 1.00 7.35 O ATOM 367 CB VAL A1151 14.208 -0.807 11.972 1.00 7.84 C ATOM 368 CG1 VAL A1151 13.224 -0.177 12.996 1.00 8.36 C ATOM 369 CG2 VAL A1151 14.268 -2.347 12.093 1.00 8.15 C ATOM 370 H VAL A1151 15.737 -0.557 9.583 1.00 0.00 H ATOM 371 N TYR A1152 12.443 1.554 10.137 1.00 7.41 N ATOM 372 CA TYR A1152 12.100 2.929 9.952 1.00 7.27 C ATOM 373 C TYR A1152 10.810 3.327 10.652 1.00 7.44 C ATOM 374 O TYR A1152 9.900 2.499 10.889 1.00 6.91 O ATOM 375 CB TYR A1152 12.006 3.296 8.469 1.00 7.57 C ATOM 376 CG TYR A1152 13.312 3.181 7.739 1.00 7.98 C ATOM 377 CD1 TYR A1152 14.379 4.007 8.023 1.00 8.40 C ATOM 378 CD2 TYR A1152 13.482 2.187 6.779 1.00 8.46 C ATOM 379 CE1 TYR A1152 15.580 3.883 7.324 1.00 9.61 C ATOM 380 CE2 TYR A1152 14.658 2.033 6.079 1.00 8.62 C ATOM 381 CZ TYR A1152 15.726 2.871 6.351 1.00 9.89 C ATOM 382 OH TYR A1152 16.948 2.673 5.661 1.00 9.92 O ATOM 383 HH TYR A1152 17.290 1.764 5.852 1.00 0.00 H ATOM 384 H TYR A1152 11.674 0.855 10.098 1.00 0.00 H ATOM 385 N CYS A1153 10.707 4.637 10.979 1.00 7.62 N ATOM 386 CA CYS A1153 9.549 5.092 11.745 1.00 7.82 C ATOM 387 C CYS A1153 8.245 5.282 10.953 1.00 7.94 C ATOM 388 O CYS A1153 8.233 5.429 9.721 1.00 7.84 O ATOM 389 CB CYS A1153 9.875 6.368 12.529 1.00 8.42 C ATOM 390 SG CYS A1153 10.184 7.835 11.498 1.00 8.40 S ATOM 391 H CYS A1153 11.443 5.311 10.688 1.00 0.00 H ATOM 392 N GLY A1154 7.159 5.266 11.712 1.00 8.38 N ATOM 393 CA GLY A1154 5.804 5.388 11.188 1.00 9.17 C ATOM 394 C GLY A1154 5.392 6.775 10.783 1.00 9.41 C ATOM 395 O GLY A1154 6.051 7.739 11.024 1.00 10.18 O ATOM 396 H GLY A1154 7.280 5.160 12.740 1.00 0.00 H ATOM 397 N ARG A1155 4.243 6.807 10.131 1.00 9.86 N ATOM 398 CA ARG A1155 3.677 8.015 9.563 1.00 10.92 C ATOM 399 C ARG A1155 3.425 9.132 10.552 1.00 10.47 C ATOM 400 O ARG A1155 3.511 10.323 10.152 1.00 11.20 O ATOM 401 CB ARG A1155 2.410 7.692 8.763 1.00 12.96 C ATOM 402 CG ARG A1155 1.303 7.128 9.607 1.00 16.04 C ATOM 403 CD ARG A1155 0.255 6.321 8.807 1.00 20.23 C ATOM 404 NE ARG A1155 -0.799 5.703 9.670 1.00 20.61 N ATOM 405 CZ ARG A1155 -0.667 4.660 10.498 1.00 21.23 C ATOM 406 NH1 ARG A1155 -1.713 4.234 11.181 1.00 22.19 N ATOM 407 NH2 ARG A1155 0.480 4.022 10.660 1.00 22.11 N ATOM 408 HE ARG A1155 -1.744 6.134 9.621 1.00 0.00 H ATOM 409 HH12 ARG A1155 -1.618 3.424 11.826 1.00 0.00 H ATOM 410 HH11 ARG A1155 -2.632 4.708 11.074 1.00 0.00 H ATOM 411 HH22 ARG A1155 0.539 3.216 11.314 1.00 0.00 H ATOM 412 HH21 ARG A1155 1.323 4.327 10.133 1.00 0.00 H ATOM 413 H ARG A1155 3.716 5.917 10.019 1.00 0.00 H ATOM 414 N TYR A1156 3.114 8.798 11.802 1.00 10.03 N ATOM 415 CA TYR A1156 2.835 9.814 12.819 1.00 11.82 C ATOM 416 C TYR A1156 4.115 10.372 13.460 1.00 12.01 C ATOM 417 O TYR A1156 4.026 11.345 14.223 1.00 12.49 O ATOM 418 CB TYR A1156 1.880 9.321 13.853 1.00 12.35 C ATOM 419 CG TYR A1156 0.513 8.950 13.229 1.00 13.39 C ATOM 420 CD1 TYR A1156 -0.193 9.875 12.421 1.00 12.54 C ATOM 421 CD2 TYR A1156 -0.051 7.709 13.452 1.00 12.38 C ATOM 422 CE1 TYR A1156 -1.388 9.558 11.845 1.00 14.25 C ATOM 423 CE2 TYR A1156 -1.268 7.380 12.873 1.00 13.93 C ATOM 424 CZ TYR A1156 -1.943 8.302 12.083 1.00 14.50 C ATOM 425 OH TYR A1156 -3.171 8.001 11.514 1.00 18.77 O ATOM 426 HH TYR A1156 -3.490 8.778 10.991 1.00 0.00 H ATOM 427 H TYR A1156 3.068 7.792 12.063 1.00 0.00 H ATOM 428 N ILE A1157 5.263 9.747 13.207 1.00 9.95 N ATOM 429 CA ILE A1157 6.534 10.271 13.719 1.00 10.91 C ATOM 430 C ILE A1157 7.159 11.122 12.593 1.00 11.34 C ATOM 431 O ILE A1157 6.673 12.221 12.328 1.00 10.08 O ATOM 432 CB ILE A1157 7.443 9.197 14.300 1.00 10.68 C ATOM 433 CG1 ILE A1157 6.680 8.268 15.286 1.00 11.41 C ATOM 434 CG2 ILE A1157 8.643 9.855 14.989 1.00 11.30 C ATOM 435 CD1 ILE A1157 6.131 9.001 16.526 1.00 11.96 C ATOM 436 H ILE A1157 5.259 8.876 12.639 1.00 0.00 H ATOM 437 N ASN A1158 8.147 10.595 11.846 1.00 10.44 N ATOM 438 CA ASN A1158 8.720 11.284 10.721 1.00 11.15 C ATOM 439 C ASN A1158 8.556 10.593 9.381 1.00 11.23 C ATOM 440 O ASN A1158 9.124 11.071 8.381 1.00 9.41 O ATOM 441 CB ASN A1158 10.218 11.496 11.027 1.00 12.36 C ATOM 442 CG ASN A1158 10.434 12.457 12.229 1.00 13.89 C ATOM 443 OD1 ASN A1158 9.792 13.485 12.270 1.00 13.83 O ATOM 444 ND2 ASN A1158 11.274 12.112 13.198 1.00 11.76 N ATOM 445 HD22 ASN A1158 11.809 11.223 13.130 1.00 0.00 H ATOM 446 HD21 ASN A1158 11.397 12.731 14.025 1.00 0.00 H ATOM 447 H ASN A1158 8.510 9.652 12.092 1.00 0.00 H ATOM 448 N GLY A1159 7.699 9.572 9.331 1.00 10.11 N ATOM 449 CA GLY A1159 7.303 8.936 8.062 1.00 10.11 C ATOM 450 C GLY A1159 8.443 8.297 7.256 1.00 9.28 C ATOM 451 O GLY A1159 8.390 8.186 5.993 1.00 10.36 O ATOM 452 H GLY A1159 7.296 9.212 10.219 1.00 0.00 H ATOM 453 N HIS A1160 9.480 7.815 7.930 1.00 9.31 N ATOM 454 CA HIS A1160 10.630 7.256 7.237 1.00 8.53 C ATOM 455 C HIS A1160 10.336 5.896 6.595 1.00 8.25 C ATOM 456 O HIS A1160 10.858 5.577 5.501 1.00 7.53 O ATOM 457 CB HIS A1160 11.848 7.294 8.154 1.00 9.09 C ATOM 458 CG HIS A1160 12.401 8.677 8.333 1.00 9.76 C ATOM 459 ND1 HIS A1160 12.703 9.219 9.578 1.00 10.16 N ATOM 460 CD2 HIS A1160 12.649 9.665 7.419 1.00 10.35 C ATOM 461 CE1 HIS A1160 13.092 10.481 9.414 1.00 10.43 C ATOM 462 NE2 HIS A1160 13.062 10.781 8.123 1.00 9.95 N ATOM 463 H HIS A1160 9.470 7.837 8.970 1.00 0.00 H ATOM 464 N MET A1161 9.433 5.113 7.163 1.00 8.19 N ATOM 465 CA MET A1161 9.073 3.831 6.485 1.00 7.86 C ATOM 466 C MET A1161 8.291 4.091 5.173 1.00 8.36 C ATOM 467 O MET A1161 8.558 3.412 4.158 1.00 7.63 O ATOM 468 CB MET A1161 8.350 2.822 7.360 1.00 7.81 C ATOM 469 CG MET A1161 8.217 1.470 6.704 1.00 7.88 C ATOM 470 SD MET A1161 9.803 0.707 6.256 1.00 8.13 S ATOM 471 CE MET A1161 10.246 -0.177 7.759 1.00 7.53 C ATOM 472 H MET A1161 8.984 5.384 8.061 1.00 0.00 H ATOM 473 N LEU A1162 7.412 5.073 5.178 1.00 8.54 N ATOM 474 CA LEU A1162 6.764 5.505 3.934 1.00 10.77 C ATOM 475 C LEU A1162 7.796 5.971 2.921 1.00 9.87 C ATOM 476 O LEU A1162 7.750 5.601 1.736 1.00 9.70 O ATOM 477 CB LEU A1162 5.721 6.608 4.198 1.00 13.20 C ATOM 478 CG LEU A1162 5.031 7.223 2.998 1.00 18.60 C ATOM 479 CD1 LEU A1162 4.208 6.113 2.311 1.00 18.78 C ATOM 480 CD2 LEU A1162 4.132 8.385 3.479 1.00 21.84 C ATOM 481 H LEU A1162 7.175 5.547 6.073 1.00 0.00 H ATOM 482 N GLN A1163 8.797 6.714 3.353 1.00 9.17 N ATOM 483 CA GLN A1163 9.869 7.133 2.448 1.00 10.01 C ATOM 484 C GLN A1163 10.662 5.925 1.908 1.00 9.45 C ATOM 485 O GLN A1163 10.993 5.837 0.707 1.00 9.43 O ATOM 486 CB GLN A1163 10.804 8.099 3.167 1.00 12.28 C ATOM 487 CG GLN A1163 12.064 8.443 2.508 1.00 15.40 C ATOM 488 CD GLN A1163 12.869 9.418 3.394 1.00 21.22 C ATOM 489 OE1 GLN A1163 12.384 10.499 3.703 1.00 27.41 O ATOM 490 NE2 GLN A1163 14.046 8.991 3.852 1.00 22.95 N ATOM 491 HE22 GLN A1163 14.413 8.063 3.558 1.00 0.00 H ATOM 492 HE21 GLN A1163 14.597 9.586 4.503 1.00 0.00 H ATOM 493 H GLN A1163 8.825 7.006 4.351 1.00 0.00 H ATOM 494 N HIS A1164 10.972 4.953 2.788 1.00 8.51 N ATOM 495 CA HIS A1164 11.604 3.719 2.334 1.00 8.76 C ATOM 496 C HIS A1164 10.791 3.012 1.312 1.00 8.39 C ATOM 497 O HIS A1164 11.336 2.514 0.329 1.00 10.43 O ATOM 498 CB HIS A1164 11.853 2.793 3.521 1.00 8.86 C ATOM 499 CG HIS A1164 12.473 1.474 3.149 1.00 8.73 C ATOM 500 ND1 HIS A1164 13.752 1.406 2.662 1.00 9.24 N ATOM 501 CD2 HIS A1164 12.006 0.201 3.161 1.00 9.23 C ATOM 502 CE1 HIS A1164 14.080 0.140 2.447 1.00 10.07 C ATOM 503 NE2 HIS A1164 13.025 -0.621 2.732 1.00 8.91 N ATOM 504 H HIS A1164 10.759 5.083 3.798 1.00 0.00 H ATOM 505 N HIS A1165 9.503 2.859 1.544 1.00 8.76 N ATOM 506 CA HIS A1165 8.623 2.257 0.514 1.00 9.07 C ATOM 507 C HIS A1165 8.764 3.014 -0.829 1.00 9.14 C ATOM 508 O HIS A1165 8.831 2.374 -1.921 1.00 8.79 O ATOM 509 CB HIS A1165 7.183 2.232 0.902 1.00 9.03 C ATOM 510 CG HIS A1165 6.282 1.931 -0.247 1.00 8.93 C ATOM 511 ND1 HIS A1165 6.261 0.690 -0.842 1.00 8.95 N ATOM 512 CD2 HIS A1165 5.464 2.736 -0.984 1.00 9.52 C ATOM 513 CE1 HIS A1165 5.426 0.732 -1.879 1.00 10.29 C ATOM 514 NE2 HIS A1165 4.930 1.954 -1.992 1.00 9.52 N ATOM 515 H HIS A1165 9.102 3.162 2.454 1.00 0.00 H ATOM 516 N GLY A1166 8.762 4.347 -0.767 1.00 8.85 N ATOM 517 CA GLY A1166 8.863 5.151 -2.016 1.00 9.22 C ATOM 518 C GLY A1166 10.161 4.908 -2.762 1.00 9.95 C ATOM 519 O GLY A1166 10.212 4.831 -4.019 1.00 10.09 O ATOM 520 H GLY A1166 8.690 4.824 0.154 1.00 0.00 H ATOM 521 N ASN A1167 11.260 4.857 -2.023 1.00 11.03 N ATOM 522 CA ASN A1167 12.595 4.782 -2.650 1.00 11.61 C ATOM 523 C ASN A1167 13.134 3.378 -2.970 1.00 11.83 C ATOM 524 O ASN A1167 14.125 3.267 -3.691 1.00 12.69 O ATOM 525 CB ASN A1167 13.632 5.649 -1.896 1.00 14.88 C ATOM 526 CG ASN A1167 14.048 5.117 -0.529 1.00 15.32 C ATOM 527 OD1 ASN A1167 14.246 3.939 -0.385 1.00 13.98 O ATOM 528 ND2 ASN A1167 14.293 6.040 0.447 1.00 14.45 N ATOM 529 HD22 ASN A1167 14.104 7.047 0.270 1.00 0.00 H ATOM 530 HD21 ASN A1167 14.669 5.736 1.368 1.00 0.00 H ATOM 531 H ASN A1167 11.181 4.870 -0.986 1.00 0.00 H ATOM 532 N SER A1168 12.464 2.348 -2.467 1.00 8.58 N ATOM 533 CA SER A1168 12.812 0.967 -2.712 1.00 9.83 C ATOM 534 C SER A1168 11.733 0.150 -3.444 1.00 9.57 C ATOM 535 O SER A1168 12.046 -0.901 -4.035 1.00 8.87 O ATOM 536 CB SER A1168 13.137 0.230 -1.397 1.00 8.16 C ATOM 537 OG SER A1168 11.931 -0.012 -0.643 1.00 7.72 O ATOM 538 HG SER A1168 11.498 0.852 -0.430 1.00 0.00 H ATOM 539 H SER A1168 11.642 2.546 -1.862 1.00 0.00 H ATOM 540 N GLY A1169 10.473 0.565 -3.300 1.00 9.18 N ATOM 541 CA GLY A1169 9.329 -0.178 -3.733 1.00 9.10 C ATOM 542 C GLY A1169 8.947 -1.396 -2.870 1.00 8.93 C ATOM 543 O GLY A1169 8.014 -2.111 -3.223 1.00 9.05 O ATOM 544 H GLY A1169 10.312 1.486 -2.845 1.00 0.00 H ATOM 545 N HIS A1170 9.672 -1.635 -1.773 1.00 8.23 N ATOM 546 CA HIS A1170 9.373 -2.736 -0.904 1.00 8.15 C ATOM 547 C HIS A1170 7.929 -2.607 -0.325 1.00 7.55 C ATOM 548 O HIS A1170 7.562 -1.535 0.153 1.00 7.92 O ATOM 549 CB HIS A1170 10.420 -2.899 0.193 1.00 8.04 C ATOM 550 CG HIS A1170 11.787 -3.241 -0.336 1.00 9.37 C ATOM 551 ND1 HIS A1170 12.928 -3.189 0.439 1.00 9.14 N ATOM 552 CD2 HIS A1170 12.181 -3.684 -1.558 1.00 9.27 C ATOM 553 CE1 HIS A1170 13.983 -3.503 -0.306 1.00 9.94 C ATOM 554 NE2 HIS A1170 13.548 -3.835 -1.526 1.00 9.54 N ATOM 555 H HIS A1170 10.470 -1.009 -1.545 1.00 0.00 H ATOM 556 N PRO A1171 7.124 -3.668 -0.453 1.00 8.44 N ATOM 557 CA PRO A1171 5.683 -3.539 -0.212 1.00 8.34 C ATOM 558 C PRO A1171 5.197 -3.614 1.233 1.00 7.46 C ATOM 559 O PRO A1171 4.327 -2.859 1.613 1.00 6.71 O ATOM 560 CB PRO A1171 5.091 -4.746 -0.979 1.00 8.08 C ATOM 561 CG PRO A1171 6.180 -5.782 -1.004 1.00 8.42 C ATOM 562 CD PRO A1171 7.449 -4.980 -1.089 1.00 9.01 C ATOM 563 N LEU A1172 5.732 -4.575 1.961 1.00 7.53 N ATOM 564 CA LEU A1172 5.163 -5.034 3.210 1.00 8.05 C ATOM 565 C LEU A1172 6.033 -4.727 4.406 1.00 8.05 C ATOM 566 O LEU A1172 7.227 -5.019 4.375 1.00 6.94 O ATOM 567 CB LEU A1172 4.923 -6.544 3.173 1.00 8.02 C ATOM 568 CG LEU A1172 3.641 -6.896 2.413 1.00 8.55 C ATOM 569 CD1 LEU A1172 3.692 -8.217 1.653 1.00 9.74 C ATOM 570 CD2 LEU A1172 2.441 -6.942 3.354 1.00 9.10 C ATOM 571 H LEU A1172 6.606 -5.025 1.621 1.00 0.00 H ATOM 572 N VAL A1173 5.397 -4.170 5.461 1.00 7.23 N ATOM 573 CA VAL A1173 6.147 -3.792 6.656 1.00 7.40 C ATOM 574 C VAL A1173 5.402 -4.315 7.906 1.00 7.54 C ATOM 575 O VAL A1173 4.188 -4.392 7.894 1.00 7.89 O ATOM 576 CB VAL A1173 6.391 -2.262 6.728 1.00 7.07 C ATOM 577 CG1 VAL A1173 7.308 -1.838 5.524 1.00 7.09 C ATOM 578 CG2 VAL A1173 5.071 -1.505 6.665 1.00 7.59 C ATOM 579 H VAL A1173 4.370 -4.010 5.422 1.00 0.00 H ATOM 580 N LEU A1174 6.158 -4.580 8.992 1.00 8.40 N ATOM 581 CA LEU A1174 5.657 -5.156 10.247 1.00 8.85 C ATOM 582 C LEU A1174 5.792 -4.118 11.356 1.00 8.48 C ATOM 583 O LEU A1174 6.897 -3.575 11.560 1.00 7.37 O ATOM 584 CB LEU A1174 6.445 -6.392 10.606 1.00 10.38 C ATOM 585 CG LEU A1174 6.073 -7.117 11.897 1.00 12.09 C ATOM 586 CD1 LEU A1174 4.657 -7.674 11.856 1.00 12.69 C ATOM 587 CD2 LEU A1174 7.073 -8.163 12.258 1.00 13.79 C ATOM 588 H LEU A1174 7.173 -4.360 8.936 1.00 0.00 H ATOM 589 N SER A1175 4.680 -3.860 12.082 1.00 8.29 N ATOM 590 CA SER A1175 4.691 -2.883 13.168 1.00 8.71 C ATOM 591 C SER A1175 5.368 -3.465 14.433 1.00 8.75 C ATOM 592 O SER A1175 4.938 -4.515 14.940 1.00 8.85 O ATOM 593 CB SER A1175 3.287 -2.445 13.552 1.00 9.21 C ATOM 594 OG SER A1175 3.311 -1.646 14.770 1.00 9.17 O ATOM 595 HG SER A1175 3.869 -0.841 14.624 1.00 0.00 H ATOM 596 H SER A1175 3.799 -4.368 11.862 1.00 0.00 H ATOM 597 N TYR A1176 6.321 -2.716 15.002 1.00 8.59 N ATOM 598 CA TYR A1176 6.906 -3.152 16.286 1.00 9.77 C ATOM 599 C TYR A1176 6.037 -2.730 17.478 1.00 11.46 C ATOM 600 O TYR A1176 6.354 -3.144 18.592 1.00 12.37 O ATOM 601 CB TYR A1176 8.328 -2.602 16.395 1.00 9.28 C ATOM 602 CG TYR A1176 9.381 -3.395 15.637 1.00 9.02 C ATOM 603 CD1 TYR A1176 9.171 -4.720 15.233 1.00 8.93 C ATOM 604 CD2 TYR A1176 10.610 -2.852 15.350 1.00 9.08 C ATOM 605 CE1 TYR A1176 10.155 -5.466 14.660 1.00 8.66 C ATOM 606 CE2 TYR A1176 11.599 -3.586 14.702 1.00 8.99 C ATOM 607 CZ TYR A1176 11.367 -4.929 14.392 1.00 9.16 C ATOM 608 OH TYR A1176 12.324 -5.717 13.757 1.00 9.72 O ATOM 609 HH TYR A1176 13.140 -5.757 14.315 1.00 0.00 H ATOM 610 H TYR A1176 6.645 -1.839 14.546 1.00 0.00 H ATOM 611 N ILE A1177 4.959 -1.968 17.246 1.00 11.63 N ATOM 612 CA ILE A1177 4.006 -1.639 18.328 1.00 13.91 C ATOM 613 C ILE A1177 2.992 -2.780 18.498 1.00 14.80 C ATOM 614 O ILE A1177 2.717 -3.221 19.651 1.00 14.23 O ATOM 615 CB ILE A1177 3.239 -0.330 18.083 1.00 16.95 C ATOM 616 CG1 ILE A1177 4.134 0.900 18.213 1.00 23.18 C ATOM 617 CG2 ILE A1177 2.087 -0.205 19.061 1.00 19.61 C ATOM 618 H ILE A1177 4.790 -1.601 16.288 1.00 0.00 H ATOM 619 N ASP A1178 2.409 -3.278 17.398 1.00 12.59 N ATOM 620 CA ASP A1178 1.338 -4.303 17.517 1.00 14.67 C ATOM 621 C ASP A1178 1.452 -5.521 16.606 1.00 13.25 C ATOM 622 O ASP A1178 0.525 -6.337 16.544 1.00 12.47 O ATOM 623 CB ASP A1178 -0.049 -3.647 17.311 1.00 18.05 C ATOM 624 CG ASP A1178 -0.296 -3.304 15.864 1.00 19.61 C ATOM 625 OD1 ASP A1178 0.625 -3.429 15.018 1.00 15.48 O ATOM 626 OD2 ASP A1178 -1.425 -2.932 15.590 1.00 24.24 O ATOM 627 H ASP A1178 2.707 -2.946 16.458 1.00 0.00 H ATOM 628 N LEU A1179 2.562 -5.648 15.887 1.00 9.89 N ATOM 629 CA LEU A1179 2.860 -6.816 15.028 1.00 11.24 C ATOM 630 C LEU A1179 1.862 -6.954 13.904 1.00 11.29 C ATOM 631 O LEU A1179 1.738 -8.057 13.340 1.00 12.11 O ATOM 632 CB LEU A1179 3.059 -8.140 15.805 1.00 12.43 C ATOM 633 CG LEU A1179 3.947 -8.037 17.044 1.00 13.50 C ATOM 634 CD1 LEU A1179 4.152 -9.401 17.712 1.00 15.28 C ATOM 635 CD2 LEU A1179 5.262 -7.394 16.787 1.00 14.95 C ATOM 636 H LEU A1179 3.263 -4.881 15.930 1.00 0.00 H ATOM 637 N SER A1180 1.230 -5.850 13.509 1.00 11.00 N ATOM 638 CA SER A1180 0.394 -5.879 12.261 1.00 10.95 C ATOM 639 C SER A1180 1.323 -5.735 11.071 1.00 10.05 C ATOM 640 O SER A1180 2.407 -5.138 11.195 1.00 11.10 O ATOM 641 CB SER A1180 -0.648 -4.832 12.260 1.00 11.40 C ATOM 642 OG SER A1180 -0.118 -3.514 12.411 1.00 14.78 O ATOM 643 HG SER A1180 0.369 -3.452 13.270 1.00 0.00 H ATOM 644 H SER A1180 1.315 -4.973 14.061 1.00 0.00 H ATOM 645 N ALA A1181 0.902 -6.239 9.935 1.00 9.79 N ATOM 646 CA ALA A1181 1.619 -6.140 8.642 1.00 8.89 C ATOM 647 C ALA A1181 0.785 -5.318 7.662 1.00 8.90 C ATOM 648 O ALA A1181 -0.391 -5.609 7.383 1.00 8.58 O ATOM 649 CB ALA A1181 1.904 -7.522 8.053 1.00 9.77 C ATOM 650 H ALA A1181 -0.005 -6.747 9.943 1.00 0.00 H ATOM 651 N TRP A1182 1.395 -4.288 7.093 1.00 7.34 N ATOM 652 CA TRP A1182 0.769 -3.342 6.169 1.00 7.57 C ATOM 653 C TRP A1182 1.425 -3.461 4.844 1.00 7.30 C ATOM 654 O TRP A1182 2.647 -3.557 4.771 1.00 7.02 O ATOM 655 CB TRP A1182 0.951 -1.899 6.638 1.00 7.68 C ATOM 656 CG TRP A1182 0.353 -0.861 5.716 1.00 7.80 C ATOM 657 CD1 TRP A1182 1.033 -0.054 4.888 1.00 8.49 C ATOM 658 CD2 TRP A1182 -1.042 -0.440 5.637 1.00 8.16 C ATOM 659 NE1 TRP A1182 0.196 0.828 4.283 1.00 8.09 N ATOM 660 CE2 TRP A1182 -1.079 0.646 4.752 1.00 8.68 C ATOM 661 CE3 TRP A1182 -2.235 -0.827 6.283 1.00 8.52 C ATOM 662 CZ2 TRP A1182 -2.252 1.306 4.434 1.00 9.47 C ATOM 663 CZ3 TRP A1182 -3.428 -0.163 5.939 1.00 8.74 C ATOM 664 CH2 TRP A1182 -3.418 0.906 5.047 1.00 9.40 C ATOM 665 HE1 TRP A1182 0.479 1.533 3.573 1.00 0.00 H ATOM 666 H TRP A1182 2.399 -4.140 7.322 1.00 0.00 H ATOM 667 N CYS A1183 0.608 -3.485 3.799 1.00 7.43 N ATOM 668 CA CYS A1183 1.036 -3.412 2.421 1.00 7.25 C ATOM 669 C CYS A1183 0.781 -2.009 1.871 1.00 7.44 C ATOM 670 O CYS A1183 -0.374 -1.581 1.713 1.00 7.60 O ATOM 671 CB CYS A1183 0.360 -4.461 1.488 1.00 7.26 C ATOM 672 SG CYS A1183 0.971 -4.343 -0.208 1.00 6.69 S ATOM 673 H CYS A1183 -0.412 -3.562 3.985 1.00 0.00 H ATOM 674 N TYR A1184 1.844 -1.335 1.476 1.00 7.40 N ATOM 675 CA TYR A1184 1.724 0.014 0.900 1.00 7.98 C ATOM 676 C TYR A1184 1.053 0.067 -0.461 1.00 8.51 C ATOM 677 O TYR A1184 0.536 1.124 -0.821 1.00 8.84 O ATOM 678 CB TYR A1184 3.105 0.688 0.814 1.00 8.53 C ATOM 679 CG TYR A1184 3.671 1.119 2.121 1.00 8.51 C ATOM 680 CD1 TYR A1184 3.170 2.301 2.777 1.00 8.55 C ATOM 681 CD2 TYR A1184 4.688 0.393 2.731 1.00 8.12 C ATOM 682 CE1 TYR A1184 3.703 2.703 3.987 1.00 8.78 C ATOM 683 CE2 TYR A1184 5.219 0.769 3.911 1.00 8.15 C ATOM 684 CZ TYR A1184 4.743 1.928 4.546 1.00 9.59 C ATOM 685 OH TYR A1184 5.321 2.315 5.746 1.00 9.15 O ATOM 686 HH TYR A1184 4.884 3.142 6.070 1.00 0.00 H ATOM 687 H TYR A1184 2.786 -1.766 1.574 1.00 0.00 H ATOM 688 N TYR A1185 1.157 -0.999 -1.270 1.00 7.74 N ATOM 689 CA TYR A1185 0.468 -1.041 -2.557 1.00 8.17 C ATOM 690 C TYR A1185 -1.010 -1.316 -2.433 1.00 8.17 C ATOM 691 O TYR A1185 -1.838 -0.608 -3.001 1.00 8.24 O ATOM 692 CB TYR A1185 1.073 -2.088 -3.436 1.00 9.11 C ATOM 693 CG TYR A1185 2.477 -1.867 -3.880 1.00 9.73 C ATOM 694 CD1 TYR A1185 2.771 -1.079 -4.995 1.00 12.00 C ATOM 695 CD2 TYR A1185 3.513 -2.515 -3.277 1.00 10.44 C ATOM 696 CE1 TYR A1185 4.105 -0.905 -5.425 1.00 12.06 C ATOM 697 CE2 TYR A1185 4.828 -2.377 -3.701 1.00 10.69 C ATOM 698 CZ TYR A1185 5.121 -1.583 -4.805 1.00 12.45 C ATOM 699 OH TYR A1185 6.429 -1.434 -5.234 1.00 13.63 O ATOM 700 HH TYR A1185 6.970 -1.036 -4.507 1.00 0.00 H ATOM 701 H TYR A1185 1.738 -1.809 -0.975 1.00 0.00 H ATOM 702 N CYS A1186 -1.373 -2.316 -1.629 1.00 8.34 N ATOM 703 CA CYS A1186 -2.748 -2.636 -1.420 1.00 8.54 C ATOM 704 C CYS A1186 -3.432 -1.650 -0.445 1.00 9.40 C ATOM 705 O CYS A1186 -4.696 -1.611 -0.382 1.00 8.91 O ATOM 706 CB CYS A1186 -2.856 -4.061 -0.926 1.00 8.54 C ATOM 707 SG CYS A1186 -2.272 -5.375 -2.078 1.00 8.31 S ATOM 708 H CYS A1186 -0.640 -2.873 -1.145 1.00 0.00 H ATOM 709 N GLN A1187 -2.636 -0.904 0.328 1.00 9.05 N ATOM 710 CA GLN A1187 -3.151 -0.017 1.341 1.00 10.99 C ATOM 711 C GLN A1187 -4.112 -0.761 2.250 1.00 10.39 C ATOM 712 O GLN A1187 -5.232 -0.307 2.533 1.00 10.46 O ATOM 713 CB GLN A1187 -3.790 1.252 0.738 1.00 13.90 C ATOM 714 CG GLN A1187 -2.826 1.945 -0.113 1.00 16.22 C ATOM 715 CD GLN A1187 -3.382 3.238 -0.624 1.00 22.47 C ATOM 716 OE1 GLN A1187 -3.615 3.368 -1.805 1.00 30.15 O ATOM 717 NE2 GLN A1187 -3.567 4.197 0.260 1.00 27.24 N ATOM 718 HE22 GLN A1187 -3.349 4.029 1.263 1.00 0.00 H ATOM 719 HE21 GLN A1187 -3.931 5.122 -0.045 1.00 0.00 H ATOM 720 H GLN A1187 -1.607 -0.966 0.193 1.00 0.00 H ATOM 721 N ALA A1188 -3.597 -1.859 2.792 1.00 9.51 N ATOM 722 CA ALA A1188 -4.333 -2.729 3.720 1.00 9.94 C ATOM 723 C ALA A1188 -3.424 -3.535 4.591 1.00 9.22 C ATOM 724 O ALA A1188 -2.271 -3.795 4.242 1.00 8.68 O ATOM 725 CB ALA A1188 -5.242 -3.684 2.959 1.00 10.96 C ATOM 726 H ALA A1188 -2.620 -2.117 2.546 1.00 0.00 H ATOM 727 N TYR A1189 -3.950 -3.950 5.738 1.00 9.19 N ATOM 728 CA TYR A1189 -3.298 -4.937 6.593 1.00 9.48 C ATOM 729 C TYR A1189 -3.525 -6.314 6.009 1.00 9.52 C ATOM 730 O TYR A1189 -4.579 -6.552 5.440 1.00 8.10 O ATOM 731 CB TYR A1189 -3.887 -4.925 7.995 1.00 10.98 C ATOM 732 CG TYR A1189 -3.507 -3.637 8.715 1.00 12.18 C ATOM 733 CD1 TYR A1189 -2.219 -3.463 9.183 1.00 14.45 C ATOM 734 CD2 TYR A1189 -4.429 -2.610 8.912 1.00 14.85 C ATOM 735 CE1 TYR A1189 -1.846 -2.285 9.859 1.00 15.74 C ATOM 736 CE2 TYR A1189 -4.025 -1.387 9.550 1.00 16.10 C ATOM 737 CZ TYR A1189 -2.719 -1.291 9.992 1.00 16.72 C ATOM 738 OH TYR A1189 -2.289 -0.136 10.594 1.00 22.63 O ATOM 739 HH TYR A1189 -2.833 0.035 11.404 1.00 0.00 H ATOM 740 H TYR A1189 -4.864 -3.555 6.039 1.00 0.00 H ATOM 741 N VAL A1190 -2.585 -7.201 6.191 1.00 9.34 N ATOM 742 CA VAL A1190 -2.615 -8.530 5.517 1.00 10.11 C ATOM 743 C VAL A1190 -2.297 -9.553 6.620 1.00 12.84 C ATOM 744 O VAL A1190 -1.386 -9.291 7.436 1.00 12.78 O ATOM 745 CB VAL A1190 -1.562 -8.612 4.378 1.00 9.37 C ATOM 746 CG1 VAL A1190 -1.517 -10.007 3.699 1.00 10.10 C ATOM 747 CG2 VAL A1190 -1.832 -7.549 3.324 1.00 9.31 C ATOM 748 H VAL A1190 -1.792 -6.974 6.825 1.00 0.00 H ATOM 749 N HIS A1191 -3.076 -10.622 6.710 1.00 13.90 N ATOM 750 CA HIS A1191 -2.729 -11.789 7.562 1.00 16.94 C ATOM 751 C HIS A1191 -2.575 -13.012 6.640 1.00 14.59 C ATOM 752 O HIS A1191 -3.467 -13.243 5.810 1.00 15.62 O ATOM 753 CB HIS A1191 -3.875 -12.091 8.507 1.00 19.85 C ATOM 754 CG HIS A1191 -4.079 -11.090 9.602 1.00 25.70 C ATOM 755 ND1 HIS A1191 -5.243 -10.342 9.734 1.00 33.23 N ATOM 756 CD2 HIS A1191 -3.309 -10.770 10.661 1.00 27.86 C ATOM 757 CE1 HIS A1191 -5.152 -9.587 10.820 1.00 29.73 C ATOM 758 NE2 HIS A1191 -3.979 -9.801 11.377 1.00 32.61 N ATOM 759 H HIS A1191 -3.961 -10.645 6.165 1.00 0.00 H ATOM 760 N HIS A1192 -1.511 -13.756 6.795 1.00 14.65 N ATOM 761 CA HIS A1192 -1.291 -14.948 5.965 1.00 15.22 C ATOM 762 C HIS A1192 -0.352 -15.838 6.680 1.00 15.60 C ATOM 763 O HIS A1192 0.531 -15.389 7.456 1.00 15.26 O ATOM 764 CB HIS A1192 -0.780 -14.612 4.505 1.00 14.48 C ATOM 765 CG HIS A1192 -0.805 -15.786 3.568 1.00 15.05 C ATOM 766 ND1 HIS A1192 0.269 -16.629 3.380 1.00 16.27 N ATOM 767 CD2 HIS A1192 -1.793 -16.249 2.745 1.00 16.66 C ATOM 768 CE1 HIS A1192 -0.042 -17.560 2.479 1.00 17.71 C ATOM 769 NE2 HIS A1192 -1.292 -17.354 2.071 1.00 16.66 N ATOM 770 H HIS A1192 -0.809 -13.500 7.518 1.00 0.00 H ATOM 771 N GLN A1193 -0.477 -17.159 6.384 1.00 17.31 N ATOM 772 CA GLN A1193 0.455 -18.156 6.902 1.00 18.63 C ATOM 773 C GLN A1193 1.896 -17.732 6.654 1.00 17.15 C ATOM 774 O GLN A1193 2.720 -17.929 7.483 1.00 17.77 O ATOM 775 CB GLN A1193 0.162 -19.592 6.276 1.00 19.88 C ATOM 776 CG GLN A1193 0.758 -20.735 7.076 1.00 24.68 C ATOM 777 CD GLN A1193 0.374 -22.115 6.525 1.00 24.84 C ATOM 778 OE1 GLN A1193 -0.188 -22.215 5.439 1.00 26.96 O ATOM 779 NE2 GLN A1193 0.688 -23.170 7.279 1.00 28.30 N ATOM 780 HE22 GLN A1193 1.165 -23.032 8.193 1.00 0.00 H ATOM 781 HE21 GLN A1193 0.456 -24.130 6.953 1.00 0.00 H ATOM 782 H GLN A1193 -1.259 -17.468 5.771 1.00 0.00 H ATOM 783 N ALA A1194 2.204 -17.102 5.518 1.00 19.21 N ATOM 784 CA ALA A1194 3.525 -16.653 5.137 1.00 17.23 C ATOM 785 C ALA A1194 4.134 -15.552 6.064 1.00 16.43 C ATOM 786 O ALA A1194 5.344 -15.262 6.026 1.00 15.58 O ATOM 787 CB ALA A1194 3.533 -16.177 3.710 1.00 20.00 C ATOM 788 H ALA A1194 1.428 -16.918 4.850 1.00 0.00 H ATOM 789 N LEU A1195 3.308 -14.968 6.875 1.00 13.35 N ATOM 790 CA LEU A1195 3.762 -13.938 7.836 1.00 14.59 C ATOM 791 C LEU A1195 3.910 -14.497 9.252 1.00 15.54 C ATOM 792 O LEU A1195 4.424 -13.796 10.165 1.00 13.94 O ATOM 793 CB LEU A1195 2.722 -12.821 7.851 1.00 12.97 C ATOM 794 CG LEU A1195 2.554 -12.033 6.556 1.00 13.41 C ATOM 795 CD1 LEU A1195 1.433 -11.019 6.683 1.00 12.89 C ATOM 796 CD2 LEU A1195 3.802 -11.368 6.077 1.00 14.85 C ATOM 797 H LEU A1195 2.302 -15.230 6.850 1.00 0.00 H ATOM 798 N LEU A1196 3.495 -15.739 9.488 1.00 16.01 N ATOM 799 CA LEU A1196 3.489 -16.240 10.873 1.00 16.30 C ATOM 800 C LEU A1196 4.891 -16.330 11.464 1.00 16.43 C ATOM 801 O LEU A1196 5.050 -16.037 12.595 1.00 15.19 O ATOM 802 CB LEU A1196 2.727 -17.598 11.040 1.00 17.72 C ATOM 803 CG LEU A1196 1.206 -17.459 10.896 1.00 20.42 C ATOM 804 CD1 LEU A1196 0.562 -18.851 10.831 1.00 21.93 C ATOM 805 CD2 LEU A1196 0.499 -16.622 11.968 1.00 19.59 C ATOM 806 H LEU A1196 3.179 -16.347 8.706 1.00 0.00 H ATOM 807 N ASP A1197 5.864 -16.797 10.708 1.00 17.99 N ATOM 808 CA ASP A1197 7.218 -17.007 11.230 1.00 19.27 C ATOM 809 C ASP A1197 7.826 -15.676 11.698 1.00 16.07 C ATOM 810 O ASP A1197 8.366 -15.580 12.782 1.00 15.72 O ATOM 811 CB ASP A1197 8.131 -17.625 10.163 1.00 22.51 C ATOM 812 CG ASP A1197 7.984 -19.128 10.048 1.00 28.74 C ATOM 813 OD1 ASP A1197 7.613 -19.778 11.035 1.00 34.99 O ATOM 814 OD2 ASP A1197 8.322 -19.678 8.986 1.00 38.02 O ATOM 815 H ASP A1197 5.666 -17.023 9.712 1.00 0.00 H ATOM 816 N VAL A1198 7.716 -14.647 10.861 1.00 14.79 N ATOM 817 CA VAL A1198 8.298 -13.391 11.218 1.00 13.67 C ATOM 818 C VAL A1198 7.508 -12.725 12.374 1.00 12.00 C ATOM 819 O VAL A1198 8.118 -12.078 13.246 1.00 10.91 O ATOM 820 CB VAL A1198 8.396 -12.452 10.003 1.00 13.47 C ATOM 821 CG1 VAL A1198 7.043 -11.933 9.574 1.00 13.49 C ATOM 822 CG2 VAL A1198 9.275 -11.292 10.329 1.00 13.66 C ATOM 823 H VAL A1198 7.212 -14.755 9.958 1.00 0.00 H ATOM 824 N LYS A1199 6.170 -12.876 12.396 1.00 10.82 N ATOM 825 CA LYS A1199 5.383 -12.371 13.538 1.00 10.92 C ATOM 826 C LYS A1199 5.784 -13.028 14.790 1.00 11.21 C ATOM 827 O LYS A1199 5.966 -12.406 15.836 1.00 10.43 O ATOM 828 CB LYS A1199 3.877 -12.456 13.373 1.00 9.92 C ATOM 829 CG LYS A1199 3.426 -11.499 12.235 1.00 10.19 C ATOM 830 CD LYS A1199 1.915 -11.405 12.041 1.00 11.39 C ATOM 831 CE LYS A1199 1.484 -10.257 11.130 1.00 12.02 C ATOM 832 NZ LYS A1199 0.001 -10.251 11.169 1.00 13.59 N ATOM 833 HZ1 LYS A1199 -0.357 -11.164 10.824 1.00 0.00 H ATOM 834 HZ2 LYS A1199 -0.318 -10.099 12.147 1.00 0.00 H ATOM 835 HZ3 LYS A1199 -0.357 -9.485 10.563 1.00 0.00 H ATOM 836 H LYS A1199 5.689 -13.350 11.605 1.00 0.00 H ATOM 837 N ASN A1200 5.994 -14.333 14.676 1.00 10.59 N ATOM 838 CA ASN A1200 6.355 -15.058 15.886 1.00 12.62 C ATOM 839 C ASN A1200 7.716 -14.694 16.472 1.00 11.95 C ATOM 840 O ASN A1200 7.831 -14.631 17.694 1.00 13.46 O ATOM 841 CB ASN A1200 6.347 -16.550 15.612 1.00 14.01 C ATOM 842 CG ASN A1200 4.951 -17.097 15.378 1.00 15.49 C ATOM 843 OD1 ASN A1200 3.955 -16.584 15.925 1.00 18.98 O ATOM 844 ND2 ASN A1200 4.888 -18.242 14.652 1.00 19.27 N ATOM 845 HD22 ASN A1200 5.749 -18.629 14.216 1.00 0.00 H ATOM 846 HD21 ASN A1200 3.979 -18.732 14.532 1.00 0.00 H ATOM 847 H ASN A1200 5.904 -14.818 13.760 1.00 0.00 H ATOM 848 N ILE A1201 8.722 -14.513 15.622 1.00 11.50 N ATOM 849 CA ILE A1201 10.074 -14.118 16.023 1.00 12.60 C ATOM 850 C ILE A1201 9.995 -12.715 16.675 1.00 11.32 C ATOM 851 O ILE A1201 10.588 -12.455 17.722 1.00 10.84 O ATOM 852 CB ILE A1201 11.072 -14.142 14.824 1.00 13.81 C ATOM 853 CG1 ILE A1201 11.456 -15.585 14.343 1.00 18.10 C ATOM 854 CG2 ILE A1201 12.304 -13.332 15.119 1.00 16.19 C ATOM 855 H ILE A1201 8.537 -14.661 14.609 1.00 0.00 H ATOM 856 N ALA A1202 9.260 -11.783 16.050 1.00 11.52 N ATOM 857 CA ALA A1202 9.033 -10.520 16.689 1.00 10.85 C ATOM 858 C ALA A1202 8.330 -10.588 18.064 1.00 11.32 C ATOM 859 O ALA A1202 8.735 -9.934 19.001 1.00 10.74 O ATOM 860 CB ALA A1202 8.251 -9.625 15.739 1.00 11.15 C ATOM 861 H ALA A1202 8.858 -11.975 15.110 1.00 0.00 H ATOM 862 N HIS A1203 7.234 -11.366 18.141 1.00 11.73 N ATOM 863 CA HIS A1203 6.472 -11.594 19.394 1.00 13.44 C ATOM 864 C HIS A1203 7.380 -12.095 20.523 1.00 14.61 C ATOM 865 O HIS A1203 7.312 -11.613 21.656 1.00 14.11 O ATOM 866 CB HIS A1203 5.347 -12.610 19.146 1.00 14.07 C ATOM 867 CG HIS A1203 4.351 -12.622 20.248 1.00 16.77 C ATOM 868 ND1 HIS A1203 4.551 -13.330 21.426 1.00 20.20 N ATOM 869 CD2 HIS A1203 3.202 -11.939 20.400 1.00 20.97 C ATOM 870 CE1 HIS A1203 3.548 -13.079 22.253 1.00 24.14 C ATOM 871 NE2 HIS A1203 2.708 -12.254 21.645 1.00 25.32 N ATOM 872 H HIS A1203 6.903 -11.834 17.273 1.00 0.00 H ATOM 873 N GLN A1204 8.257 -13.020 20.187 1.00 15.91 N ATOM 874 CA GLN A1204 9.230 -13.609 21.160 1.00 15.81 C ATOM 875 C GLN A1204 10.205 -12.527 21.627 1.00 14.60 C ATOM 876 O GLN A1204 10.545 -12.455 22.818 1.00 12.90 O ATOM 877 CB GLN A1204 10.014 -14.787 20.566 1.00 20.04 C ATOM 878 CG GLN A1204 9.142 -15.982 20.299 1.00 28.59 C ATOM 879 CD GLN A1204 9.831 -17.200 19.658 1.00 32.89 C ATOM 880 OE1 GLN A1204 10.459 -17.111 18.589 1.00 38.11 O ATOM 881 NE2 GLN A1204 9.651 -18.375 20.300 1.00 35.66 N ATOM 882 HE22 GLN A1204 9.118 -18.403 21.193 1.00 0.00 H ATOM 883 HE21 GLN A1204 10.045 -19.251 19.901 1.00 0.00 H ATOM 884 H GLN A1204 8.274 -13.355 19.203 1.00 0.00 H ATOM 885 N ASN A1205 10.649 -11.677 20.705 1.00 13.62 N ATOM 886 CA ASN A1205 11.627 -10.649 21.064 1.00 13.40 C ATOM 887 C ASN A1205 10.939 -9.604 21.920 1.00 12.24 C ATOM 888 O ASN A1205 11.551 -9.129 22.924 1.00 13.53 O ATOM 889 CB ASN A1205 12.345 -10.039 19.835 1.00 13.44 C ATOM 890 CG ASN A1205 13.405 -9.039 20.230 1.00 14.78 C ATOM 891 OD1 ASN A1205 13.190 -7.849 20.079 1.00 13.66 O ATOM 892 ND2 ASN A1205 14.537 -9.503 20.822 1.00 13.56 N ATOM 893 HD22 ASN A1205 14.684 -10.527 20.933 1.00 0.00 H ATOM 894 HD21 ASN A1205 15.256 -8.834 21.164 1.00 0.00 H ATOM 895 H ASN A1205 10.301 -11.743 19.727 1.00 0.00 H ATOM 896 N LYS A1206 9.699 -9.285 21.594 1.00 11.34 N ATOM 897 CA LYS A1206 9.012 -8.179 22.254 1.00 11.90 C ATOM 898 C LYS A1206 8.559 -8.548 23.662 1.00 13.78 C ATOM 899 O LYS A1206 8.780 -7.768 24.604 1.00 12.82 O ATOM 900 CB LYS A1206 7.812 -7.692 21.437 1.00 11.19 C ATOM 901 CG LYS A1206 7.159 -6.413 21.952 1.00 10.12 C ATOM 902 CD LYS A1206 6.080 -5.918 21.014 1.00 10.58 C ATOM 903 CE LYS A1206 5.279 -4.691 21.506 1.00 9.71 C ATOM 904 NZ LYS A1206 5.981 -3.423 21.365 1.00 10.42 N ATOM 905 HZ1 LYS A1206 6.863 -3.453 21.916 1.00 0.00 H ATOM 906 HZ2 LYS A1206 6.203 -3.261 20.362 1.00 0.00 H ATOM 907 HZ3 LYS A1206 5.377 -2.653 21.717 1.00 0.00 H ATOM 908 H LYS A1206 9.206 -9.829 20.857 1.00 0.00 H ATOM 909 N PHE A1207 7.977 -9.746 23.781 1.00 16.85 N ATOM 910 CA PHE A1207 7.274 -10.148 25.045 1.00 21.56 C ATOM 911 C PHE A1207 8.026 -11.094 25.943 1.00 29.21 C ATOM 912 O PHE A1207 7.597 -11.301 27.076 1.00 32.84 O ATOM 913 CB PHE A1207 5.850 -10.610 24.749 1.00 19.45 C ATOM 914 CG PHE A1207 4.982 -9.531 24.110 1.00 18.53 C ATOM 915 CD1 PHE A1207 4.437 -8.489 24.871 1.00 19.68 C ATOM 916 CD2 PHE A1207 4.654 -9.597 22.773 1.00 20.56 C ATOM 917 CE1 PHE A1207 3.650 -7.503 24.261 1.00 19.39 C ATOM 918 CE2 PHE A1207 3.884 -8.592 22.161 1.00 21.92 C ATOM 919 CZ PHE A1207 3.361 -7.568 22.916 1.00 19.69 C ATOM 920 H PHE A1207 8.012 -10.412 22.983 1.00 0.00 H ATOM 921 N GLY A1208 9.190 -11.570 25.506 1.00 32.19 N ATOM 922 CA GLY A1208 10.077 -12.363 26.360 1.00 38.43 C ATOM 923 C GLY A1208 9.751 -13.832 26.217 1.00 43.78 C ATOM 924 O GLY A1208 9.979 -14.402 25.152 1.00 51.07 O ATOM 925 H GLY A1208 9.479 -11.372 24.527 1.00 0.00 H TER 926 GLY A1208 HETATM 927 ZN ZN A 1 13.026 -2.655 2.476 1.00 9.71 ZN HETATM 928 ZN ZN A 2 12.475 8.186 11.376 1.00 10.73 ZN HETATM 929 ZN ZN A 3 -0.139 -6.004 -1.366 1.00 9.80 ZN HETATM 930 O HOH 4 5.296 7.161 20.747 1.00 27.41 O HETATM 931 O HOH 5 6.186 -14.957 22.228 1.00 29.60 O HETATM 932 O HOH 6 20.487 9.725 10.174 1.00 28.33 O HETATM 933 O HOH 7 17.463 -8.361 11.581 1.00 21.48 O HETATM 934 O HOH 8 13.081 -9.957 24.853 1.00 26.74 O HETATM 935 O HOH 9 -4.172 0.469 -3.525 1.00 34.82 O HETATM 936 O HOH 10 -2.768 -2.392 13.401 1.00 35.50 O HETATM 937 O HOH 11 7.261 -16.138 4.450 1.00 25.09 O HETATM 938 O HOH 12 3.536 2.759 -4.093 1.00 13.68 O HETATM 939 O HOH 13 8.191 -6.138 1.905 1.00 10.15 O HETATM 940 O HOH 14 4.350 -1.521 22.264 1.00 21.38 O HETATM 941 O HOH 15 17.416 6.704 19.895 1.00 11.76 O HETATM 942 O HOH 16 6.209 5.916 7.659 1.00 8.52 O HETATM 943 O HOH 17 4.952 0.518 14.762 1.00 17.75 O HETATM 944 O HOH 18 7.431 10.054 4.344 1.00 18.19 O HETATM 945 O HOH 19 7.374 -19.669 13.698 1.00 32.62 O HETATM 946 O HOH 20 18.967 -4.457 4.434 1.00 15.61 O HETATM 947 O HOH 21 4.878 11.427 8.127 1.00 30.67 O HETATM 948 O HOH 22 15.027 -6.134 21.974 1.00 27.63 O HETATM 949 O HOH 23 7.767 -14.693 0.054 1.00 23.57 O HETATM 950 O HOH 24 11.639 0.036 17.636 1.00 11.00 O HETATM 951 O HOH 25 19.377 4.798 13.760 1.00 19.31 O HETATM 952 O HOH 26 17.748 1.122 12.309 1.00 10.16 O HETATM 953 O HOH 27 9.679 -8.124 27.149 1.00 15.10 O HETATM 954 O HOH 28 6.090 6.703 -0.125 1.00 27.22 O HETATM 955 O HOH 29 0.780 3.707 0.024 1.00 30.12 O HETATM 956 O HOH 30 11.621 3.135 -5.641 1.00 9.80 O HETATM 957 O HOH 31 12.974 -13.490 18.619 1.00 16.12 O HETATM 958 O HOH 32 9.934 -1.096 20.784 1.00 12.23 O HETATM 959 O HOH 33 15.064 -5.438 13.897 1.00 8.98 O HETATM 960 O HOH 34 -10.927 -9.905 5.414 1.00 20.57 O HETATM 961 O HOH 35 12.571 -6.576 23.235 1.00 14.96 O HETATM 962 O HOH 36 10.902 -15.653 2.047 1.00 20.95 O HETATM 963 O HOH 37 -2.742 4.453 2.902 1.00 28.78 O HETATM 964 O HOH 38 17.846 -1.674 20.331 1.00 20.51 O HETATM 965 O HOH 39 1.698 -12.906 -3.138 1.00 13.65 O HETATM 966 O HOH 40 3.571 12.987 10.973 1.00 20.82 O HETATM 967 O HOH 41 3.552 6.348 13.358 1.00 14.16 O HETATM 968 O HOH 42 -4.530 1.270 11.519 1.00 31.46 O HETATM 969 O HOH 43 11.660 1.224 20.914 1.00 15.00 O HETATM 970 O HOH 44 18.146 -3.751 10.410 1.00 18.19 O HETATM 971 O HOH 45 17.223 -9.249 18.792 1.00 23.15 O HETATM 972 O HOH 46 -1.364 -8.044 9.957 1.00 9.04 O HETATM 973 O HOH 47 14.794 -1.321 -4.465 1.00 30.19 O HETATM 974 O HOH 48 14.975 -4.930 -3.704 1.00 22.54 O HETATM 975 O HOH 49 10.662 -3.113 -5.128 1.00 23.77 O HETATM 976 O HOH 50 10.608 10.987 18.032 1.00 32.92 O HETATM 977 O HOH 51 15.759 -6.233 11.409 1.00 13.30 O HETATM 978 O HOH 52 -2.741 -18.312 5.125 1.00 15.79 O HETATM 979 O HOH 53 9.936 -14.586 6.075 1.00 35.19 O HETATM 980 O HOH 54 1.745 -12.638 -6.069 1.00 20.77 O HETATM 981 O HOH 55 14.143 8.862 0.094 1.00 24.58 O HETATM 982 O HOH 56 -3.048 -18.696 0.272 1.00 20.70 O HETATM 983 O HOH 57 -1.340 -9.430 13.546 1.00 16.90 O HETATM 984 O HOH 58 2.189 -3.979 -7.570 1.00 18.12 O HETATM 985 O HOH 59 5.594 -18.184 8.212 1.00 20.65 O HETATM 986 O HOH 60 7.438 -14.959 7.973 1.00 15.70 O HETATM 987 O HOH 61 4.201 -8.420 -6.297 1.00 11.08 O HETATM 988 O HOH 62 6.418 3.381 20.140 1.00 21.99 O HETATM 989 O HOH 63 20.695 -14.840 7.711 1.00 22.24 O HETATM 990 O HOH 64 18.522 -16.392 7.213 1.00 21.15 O HETATM 991 O HOH 65 -3.477 -6.905 11.227 1.00 14.64 O HETATM 992 O HOH 66 5.923 -16.282 19.246 1.00 20.15 O HETATM 993 O HOH 67 17.559 0.129 9.639 1.00 10.69 O HETATM 994 O HOH 68 14.487 -12.472 21.146 1.00 29.55 O HETATM 995 O HOH 69 12.818 -17.062 7.214 1.00 28.59 O HETATM 996 O HOH 70 9.228 1.433 18.013 1.00 10.07 O HETATM 997 O HOH 71 15.878 -15.420 13.164 1.00 28.42 O HETATM 998 O HOH 72 0.982 0.275 14.612 1.00 24.47 O HETATM 999 O HOH 73 14.924 -12.510 17.197 1.00 20.72 O HETATM 1000 O HOH 74 -6.878 -3.213 6.088 1.00 15.00 O HETATM 1001 O HOH 75 18.759 1.737 7.940 1.00 23.96 O HETATM 1002 O HOH 76 13.424 8.730 20.458 1.00 20.07 O HETATM 1003 O HOH 77 18.866 -6.145 7.575 1.00 22.83 O HETATM 1004 O HOH 78 8.667 13.831 15.218 1.00 22.54 O HETATM 1005 O HOH 79 -0.672 -18.268 -1.741 1.00 38.37 O HETATM 1006 O HOH 80 7.663 -0.449 19.816 1.00 30.38 O HETATM 1007 O HOH 81 -0.023 3.742 2.847 1.00 22.30 O HETATM 1008 O HOH 82 -1.112 -1.920 -6.153 1.00 23.91 O HETATM 1009 O HOH 83 13.552 13.410 10.787 1.00 21.91 O HETATM 1010 O HOH 84 -8.080 -3.455 8.536 1.00 27.80 O HETATM 1011 O HOH 85 19.571 -1.664 9.443 1.00 23.67 O HETATM 1012 O HOH 86 15.905 -15.072 15.730 1.00 26.96 O HETATM 1013 O HOH 87 16.791 -5.535 23.932 1.00 23.64 O HETATM 1014 O HOH 88 -2.647 -4.043 -5.050 1.00 16.06 O HETATM 1015 O HOH 89 0.489 -2.504 -7.860 1.00 26.77 O HETATM 1016 O HOH 90 20.043 2.192 13.230 1.00 24.65 O HETATM 1017 O HOH 91 12.106 -9.069 27.166 1.00 31.93 O HETATM 1018 O HOH 92 16.118 -0.413 -2.575 1.00 36.79 O HETATM 1019 O HOH 93 7.084 -16.892 2.090 1.00 34.73 O HETATM 1020 C1 EYJ A 94 3.351 2.177 8.296 1.00 0.02 C HETATM 1021 C2 EYJ A 94 2.360 1.583 7.379 1.00 0.03 C HETATM 1022 C3 EYJ A 94 0.985 2.156 7.507 1.00 0.10 C HETATM 1023 S EYJ A 94 -0.214 1.334 8.481 1.00 0.01 S HETATM 1024 C9 EYJ A 94 -1.405 2.478 7.906 1.00 0.05 C HETATM 1025 C4 EYJ A 94 -0.799 3.383 7.027 1.00 0.02 C HETATM 1026 N EYJ A 94 0.577 3.183 6.826 1.00 -0.31 N HETATM 1027 C5 EYJ A 94 -1.575 4.383 6.430 1.00 -0.06 C HETATM 1028 C6 EYJ A 94 -2.932 4.475 6.745 1.00 -0.07 C HETATM 1029 C7 EYJ A 94 -3.512 3.578 7.632 1.00 -0.07 C HETATM 1030 C8 EYJ A 94 -2.757 2.577 8.223 1.00 -0.05 C HETATM 1031 H6 EYJ A 94 -3.212 1.883 8.920 1.00 0.06 H HETATM 1032 H7 EYJ A 94 -4.567 3.662 7.865 1.00 0.06 H HETATM 1033 H5 EYJ A 94 -3.537 5.253 6.294 1.00 0.06 H HETATM 1034 H8 EYJ A 94 -1.127 5.079 5.730 1.00 0.06 H HETATM 1035 H3 EYJ A 94 2.304 0.504 7.584 1.00 0.06 H HETATM 1036 H4 EYJ A 94 2.706 1.743 6.347 1.00 0.06 H HETATM 1037 C EYJ A 94 3.532 3.668 8.273 1.00 0.04 C HETATM 1038 O1 EYJ A 94 3.093 4.332 9.218 1.00 -0.57 O HETATM 1039 O EYJ A 94 4.243 4.157 7.275 1.00 -0.57 O HETATM 1040 H1 EYJ A 94 4.326 1.726 8.060 1.00 0.05 H HETATM 1041 H2 EYJ A 94 3.057 1.899 9.319 1.00 0.05 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 47 46 929 CONECT 62 61 64 929 CONECT 203 202 928 CONECT 224 223 928 CONECT 311 310 927 CONECT 335 334 927 CONECT 390 389 928 CONECT 459 458 461 928 CONECT 503 501 502 927 CONECT 551 550 553 927 CONECT 672 671 929 CONECT 707 706 929 CONECT 927 311 335 503 551 CONECT 928 203 224 390 459 CONECT 929 47 62 672 707 CONECT 1020 1021 1037 1040 1041 CONECT 1021 1020 1022 1035 1036 CONECT 1022 1021 1023 1026 CONECT 1023 1022 1024 CONECT 1024 1023 1025 1030 CONECT 1025 1024 1026 1027 CONECT 1026 1022 1025 CONECT 1027 1025 1028 1034 CONECT 1028 1027 1029 1033 CONECT 1029 1028 1030 1032 CONECT 1030 1024 1029 1031 CONECT 1031 1030 CONECT 1032 1029 CONECT 1033 1028 CONECT 1034 1027 CONECT 1035 1021 CONECT 1036 1021 CONECT 1037 1020 1038 1039 CONECT 1038 1037 CONECT 1039 1037 CONECT 1040 1020 CONECT 1041 1020 MASTER 0 0 0 0 0 0 0 0 1040 1 40 8 END
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Pocket-Ligand
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Related entries of code: 6cef
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5kh3
RCSB PDB
PDBbind
107aa, >5KH3_1|Chain... *
5kh7
RCSB PDB
PDBbind
107aa, >5KH7_1|Chain... at 100%
6ce6
RCSB PDB
PDBbind
107aa, >6CE6_1|Chain... at 100%
6ce8
RCSB PDB
PDBbind
107aa, >6CE8_1|Chain... at 100%
6cea
RCSB PDB
PDBbind
107aa, >6CEA_1|Chain... at 100%
6cec
RCSB PDB
PDBbind
107aa, >6CEC_1|Chain... at 100%
6ced
RCSB PDB
PDBbind
107aa, >6CED_1|Chain... at 100%
6cee
RCSB PDB
PDBbind
107aa, >6CEE_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
6cef
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Histone deacetylase 6
Ligand Name
EYJ
EC.Number
E.C.3.5.1.98
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
IC50=180uM
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
0
H
9
NO
2
S
Molecular Weight
207.249
Exact Mass
207.035
No. of atoms
23
No. of bonds
24
Polar Surface Area
78.43
LOGP Value
3.62 (
Computed with XLOGP3
)
2.31 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 2
Canonical SMILES
OC(=O)CCc1nc2c(s1)cccc2
InChI String
InChI=1S/C10H9NO2S/c12-10(13)6-5-9-11-7-3-1-2-4-8(7)14-9/h1-4H,5-6H2,(H,12,13)
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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