Browse entries in the PDBbind-CN Database
HEADER 5KH7_COMPLEX COMPND 5KH7_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 101 SER PRO LEU PRO TRP CYS PRO HIS LEU VAL ALA VAL CYS SEQRES 2 A 101 PRO ILE PRO ALA ALA GLY LEU ASP VAL THR GLN PRO CYS SEQRES 3 A 101 GLY ASP CYS GLY THR ILE GLN GLU ASN TRP VAL CYS LEU SEQRES 4 A 101 SER CYS TYR GLN VAL TYR CYS GLY ARG TYR ILE ASN GLY SEQRES 5 A 101 HIS MET LEU GLN HIS HIS GLY ASN SER GLY HIS PRO LEU SEQRES 6 A 101 VAL LEU SER TYR ILE ASP LEU SER ALA TRP CYS TYR TYR SEQRES 7 A 101 CYS GLN ALA TYR VAL HIS HIS GLN ALA LEU LEU ASP VAL SEQRES 8 A 101 LYS ASN ILE ALA HIS GLN ASN LYS PHE GLY HET ZN A 1 1 HET ZN A 2 1 HET ZN A 3 1 HET UNN A 220 28 ATOM 1 C SER A1108 -9.855 -5.978 6.739 1.00 24.07 C ATOM 2 O SER A1108 -9.862 -6.106 5.507 1.00 26.62 O ATOM 3 N PRO A1109 -8.957 -6.592 7.522 1.00 21.60 N ATOM 4 CA PRO A1109 -7.645 -6.978 6.975 1.00 18.47 C ATOM 5 C PRO A1109 -7.699 -8.126 5.971 1.00 16.65 C ATOM 6 O PRO A1109 -8.458 -9.099 6.148 1.00 16.80 O ATOM 7 CB PRO A1109 -6.910 -7.522 8.173 1.00 20.15 C ATOM 8 CG PRO A1109 -7.984 -8.074 9.032 1.00 21.93 C ATOM 9 CD PRO A1109 -9.193 -7.185 8.838 1.00 21.97 C ATOM 10 N LEU A1110 -6.832 -8.058 4.974 1.00 11.70 N ATOM 11 CA LEU A1110 -6.889 -9.014 3.851 1.00 10.94 C ATOM 12 C LEU A1110 -6.288 -10.346 4.229 1.00 10.40 C ATOM 13 O LEU A1110 -5.273 -10.385 4.906 1.00 10.16 O ATOM 14 CB LEU A1110 -6.137 -8.422 2.660 1.00 10.82 C ATOM 15 CG LEU A1110 -6.618 -7.105 2.054 1.00 11.25 C ATOM 16 CD1 LEU A1110 -5.567 -6.510 1.116 1.00 11.27 C ATOM 17 CD2 LEU A1110 -7.933 -7.334 1.342 1.00 12.49 C ATOM 18 H LEU A1110 -6.099 -7.320 4.982 1.00 0.00 H ATOM 19 N PRO A1111 -6.863 -11.467 3.726 1.00 9.12 N ATOM 20 CA PRO A1111 -6.280 -12.773 3.982 1.00 9.38 C ATOM 21 C PRO A1111 -5.175 -13.158 3.011 1.00 8.69 C ATOM 22 O PRO A1111 -4.610 -14.263 3.117 1.00 9.43 O ATOM 23 CB PRO A1111 -7.492 -13.722 3.781 1.00 9.52 C ATOM 24 CG PRO A1111 -8.263 -13.031 2.724 1.00 9.11 C ATOM 25 CD PRO A1111 -8.154 -11.562 3.012 1.00 9.67 C ATOM 26 N TRP A1112 -4.856 -12.258 2.079 1.00 7.88 N ATOM 27 CA TRP A1112 -3.774 -12.456 1.097 1.00 7.62 C ATOM 28 C TRP A1112 -3.544 -11.121 0.434 1.00 7.37 C ATOM 29 O TRP A1112 -4.440 -10.275 0.356 1.00 7.94 O ATOM 30 CB TRP A1112 -4.211 -13.458 0.027 1.00 7.60 C ATOM 31 CG TRP A1112 -3.165 -13.865 -0.969 1.00 7.36 C ATOM 32 CD1 TRP A1112 -2.222 -14.868 -0.848 1.00 7.70 C ATOM 33 CD2 TRP A1112 -3.003 -13.326 -2.264 1.00 7.46 C ATOM 34 NE1 TRP A1112 -1.435 -14.905 -1.975 1.00 8.00 N ATOM 35 CE2 TRP A1112 -1.945 -14.019 -2.886 1.00 7.69 C ATOM 36 CE3 TRP A1112 -3.703 -12.350 -2.998 1.00 7.36 C ATOM 37 CZ2 TRP A1112 -1.529 -13.729 -4.192 1.00 7.44 C ATOM 38 CZ3 TRP A1112 -3.265 -12.040 -4.268 1.00 7.74 C ATOM 39 CH2 TRP A1112 -2.204 -12.755 -4.865 1.00 7.47 C ATOM 40 HE1 TRP A1112 -0.596 -15.504 -2.112 1.00 0.00 H ATOM 41 H TRP A1112 -5.398 -11.371 2.043 1.00 0.00 H ATOM 42 N CYS A1113 -2.360 -10.920 -0.113 1.00 6.90 N ATOM 43 CA CYS A1113 -2.182 -9.848 -1.085 1.00 6.72 C ATOM 44 C CYS A1113 -1.091 -10.265 -2.070 1.00 6.56 C ATOM 45 O CYS A1113 -0.300 -11.173 -1.790 1.00 6.44 O ATOM 46 CB CYS A1113 -1.910 -8.487 -0.425 1.00 6.56 C ATOM 47 SG CYS A1113 -0.151 -7.983 -0.336 1.00 6.47 S ATOM 48 H CYS A1113 -1.556 -11.525 0.149 1.00 0.00 H ATOM 49 N PRO A1114 -1.093 -9.643 -3.258 1.00 6.88 N ATOM 50 CA PRO A1114 -0.201 -10.037 -4.347 1.00 7.02 C ATOM 51 C PRO A1114 1.267 -9.605 -4.142 1.00 6.97 C ATOM 52 O PRO A1114 2.123 -9.921 -4.959 1.00 7.33 O ATOM 53 CB PRO A1114 -0.850 -9.410 -5.578 1.00 7.33 C ATOM 54 CG PRO A1114 -1.613 -8.219 -5.059 1.00 7.30 C ATOM 55 CD PRO A1114 -2.061 -8.608 -3.674 1.00 7.12 C ATOM 56 N HIS A1115 1.543 -8.975 -3.000 1.00 6.28 N ATOM 57 CA HIS A1115 2.908 -8.623 -2.619 1.00 6.51 C ATOM 58 C HIS A1115 3.558 -9.523 -1.613 1.00 6.54 C ATOM 59 O HIS A1115 4.722 -9.303 -1.295 1.00 6.63 O ATOM 60 CB HIS A1115 2.938 -7.164 -2.161 1.00 6.19 C ATOM 61 CG HIS A1115 2.318 -6.267 -3.178 1.00 6.25 C ATOM 62 ND1 HIS A1115 0.995 -5.879 -3.132 1.00 6.20 N ATOM 63 CD2 HIS A1115 2.799 -5.793 -4.354 1.00 6.29 C ATOM 64 CE1 HIS A1115 0.702 -5.167 -4.202 1.00 6.13 C ATOM 65 NE2 HIS A1115 1.783 -5.094 -4.957 1.00 6.30 N ATOM 66 H HIS A1115 0.762 -8.726 -2.360 1.00 0.00 H ATOM 67 N LEU A1116 2.857 -10.533 -1.117 1.00 6.69 N ATOM 68 CA LEU A1116 3.434 -11.539 -0.185 1.00 7.65 C ATOM 69 C LEU A1116 4.634 -12.232 -0.749 1.00 7.94 C ATOM 70 O LEU A1116 5.542 -12.562 0.008 1.00 7.78 O ATOM 71 CB LEU A1116 2.376 -12.526 0.317 1.00 7.38 C ATOM 72 CG LEU A1116 1.323 -11.922 1.234 1.00 7.51 C ATOM 73 CD1 LEU A1116 0.180 -12.912 1.447 1.00 7.46 C ATOM 74 CD2 LEU A1116 1.910 -11.511 2.580 1.00 7.38 C ATOM 75 H LEU A1116 1.858 -10.626 -1.392 1.00 0.00 H ATOM 76 N VAL A1117 4.694 -12.332 -2.076 1.00 9.06 N ATOM 77 CA VAL A1117 5.854 -12.917 -2.729 1.00 10.10 C ATOM 78 C VAL A1117 7.153 -12.140 -2.482 1.00 10.70 C ATOM 79 O VAL A1117 8.221 -12.672 -2.718 1.00 11.08 O ATOM 80 CB VAL A1117 5.655 -13.045 -4.249 1.00 11.01 C ATOM 81 CG1 VAL A1117 4.652 -14.142 -4.559 1.00 11.79 C ATOM 82 CG2 VAL A1117 5.223 -11.728 -4.891 1.00 12.00 C ATOM 83 H VAL A1117 3.900 -11.987 -2.653 1.00 0.00 H ATOM 84 N ALA A1118 7.047 -10.892 -2.031 1.00 9.78 N ATOM 85 CA ALA A1118 8.226 -10.045 -1.779 1.00 9.55 C ATOM 86 C ALA A1118 8.713 -10.150 -0.347 1.00 8.88 C ATOM 87 O ALA A1118 9.744 -9.505 0.013 1.00 9.31 O ATOM 88 CB ALA A1118 7.910 -8.585 -2.153 1.00 9.71 C ATOM 89 H ALA A1118 6.100 -10.502 -1.850 1.00 0.00 H ATOM 90 N VAL A1119 8.025 -10.915 0.499 1.00 8.61 N ATOM 91 CA VAL A1119 8.484 -11.160 1.887 1.00 8.79 C ATOM 92 C VAL A1119 9.699 -12.071 1.815 1.00 9.07 C ATOM 93 O VAL A1119 9.628 -13.164 1.199 1.00 10.37 O ATOM 94 CB VAL A1119 7.370 -11.784 2.768 1.00 9.24 C ATOM 95 CG1 VAL A1119 7.872 -12.223 4.139 1.00 9.54 C ATOM 96 CG2 VAL A1119 6.208 -10.787 2.884 1.00 9.32 C ATOM 97 H VAL A1119 7.139 -11.354 0.176 1.00 0.00 H ATOM 98 N CYS A1120 10.790 -11.639 2.453 1.00 8.38 N ATOM 99 CA CYS A1120 12.075 -12.363 2.339 1.00 8.58 C ATOM 100 C CYS A1120 12.436 -13.100 3.628 1.00 8.87 C ATOM 101 O CYS A1120 11.839 -12.906 4.688 1.00 9.07 O ATOM 102 CB CYS A1120 13.161 -11.381 1.893 1.00 8.64 C ATOM 103 SG CYS A1120 12.895 -10.731 0.253 1.00 9.21 S ATOM 104 H CYS A1120 10.735 -10.781 3.038 1.00 0.00 H ATOM 105 N PRO A1121 13.439 -13.984 3.552 1.00 8.69 N ATOM 106 CA PRO A1121 13.742 -14.751 4.740 1.00 8.84 C ATOM 107 C PRO A1121 14.238 -13.888 5.876 1.00 9.21 C ATOM 108 O PRO A1121 14.943 -12.912 5.642 1.00 9.56 O ATOM 109 CB PRO A1121 14.864 -15.688 4.247 1.00 8.67 C ATOM 110 CG PRO A1121 14.536 -15.881 2.830 1.00 8.44 C ATOM 111 CD PRO A1121 14.122 -14.525 2.360 1.00 8.68 C ATOM 112 N ILE A1122 13.871 -14.280 7.087 1.00 9.57 N ATOM 113 CA ILE A1122 14.238 -13.544 8.265 1.00 10.81 C ATOM 114 C ILE A1122 15.739 -13.705 8.472 1.00 10.63 C ATOM 115 O ILE A1122 16.225 -14.869 8.429 1.00 12.35 O ATOM 116 CB ILE A1122 13.499 -14.030 9.533 1.00 11.92 C ATOM 117 CG1 ILE A1122 11.968 -13.978 9.388 1.00 13.50 C ATOM 118 CG2 ILE A1122 13.891 -13.185 10.726 1.00 12.31 C ATOM 119 CD1 ILE A1122 11.251 -15.109 10.137 1.00 14.44 C ATOM 120 H ILE A1122 13.302 -15.144 7.188 1.00 0.00 H ATOM 121 N PRO A1123 16.464 -12.587 8.730 1.00 10.04 N ATOM 122 CA PRO A1123 17.886 -12.663 9.039 1.00 9.74 C ATOM 123 C PRO A1123 18.169 -13.572 10.241 1.00 9.55 C ATOM 124 O PRO A1123 17.414 -13.580 11.191 1.00 9.07 O ATOM 125 CB PRO A1123 18.287 -11.204 9.334 1.00 10.21 C ATOM 126 CG PRO A1123 17.217 -10.371 8.683 1.00 10.05 C ATOM 127 CD PRO A1123 15.980 -11.194 8.728 1.00 10.55 C ATOM 128 N ALA A1124 19.263 -14.326 10.178 1.00 9.88 N ATOM 129 CA ALA A1124 19.645 -15.244 11.248 1.00 9.80 C ATOM 130 C ALA A1124 19.927 -14.492 12.536 1.00 10.75 C ATOM 131 O ALA A1124 19.783 -15.055 13.605 1.00 11.63 O ATOM 132 CB ALA A1124 20.861 -16.056 10.843 1.00 9.99 C ATOM 133 H ALA A1124 19.869 -14.259 9.335 1.00 0.00 H ATOM 134 N ALA A1125 20.244 -13.204 12.441 1.00 10.55 N ATOM 135 CA ALA A1125 20.360 -12.367 13.637 1.00 11.47 C ATOM 136 C ALA A1125 19.026 -12.143 14.359 1.00 12.84 C ATOM 137 O ALA A1125 19.002 -11.732 15.537 1.00 15.49 O ATOM 138 CB ALA A1125 20.991 -11.036 13.302 1.00 11.40 C ATOM 139 H ALA A1125 20.412 -12.785 11.504 1.00 0.00 H ATOM 140 N GLY A1126 17.920 -12.410 13.689 1.00 11.13 N ATOM 141 CA GLY A1126 16.594 -12.241 14.276 1.00 10.95 C ATOM 142 C GLY A1126 16.190 -10.771 14.219 1.00 10.66 C ATOM 143 O GLY A1126 16.783 -9.967 13.517 1.00 10.57 O ATOM 144 H GLY A1126 17.996 -12.752 12.710 1.00 0.00 H ATOM 145 N LEU A1127 15.145 -10.447 14.952 1.00 9.51 N ATOM 146 CA LEU A1127 14.587 -9.090 14.958 1.00 9.63 C ATOM 147 C LEU A1127 14.804 -8.499 16.321 1.00 9.39 C ATOM 148 O LEU A1127 14.717 -9.208 17.313 1.00 9.61 O ATOM 149 CB LEU A1127 13.086 -9.134 14.663 1.00 10.15 C ATOM 150 CG LEU A1127 12.686 -9.782 13.349 1.00 10.72 C ATOM 151 CD1 LEU A1127 11.184 -9.906 13.183 1.00 11.12 C ATOM 152 CD2 LEU A1127 13.313 -9.030 12.199 1.00 10.78 C ATOM 153 H LEU A1127 14.701 -11.176 15.546 1.00 0.00 H ATOM 154 N ASP A1128 14.955 -7.166 16.357 1.00 8.56 N ATOM 155 CA ASP A1128 15.037 -6.387 17.586 1.00 8.47 C ATOM 156 C ASP A1128 13.922 -5.328 17.523 1.00 7.62 C ATOM 157 O ASP A1128 14.032 -4.310 16.845 1.00 7.50 O ATOM 158 CB ASP A1128 16.407 -5.747 17.704 1.00 9.19 C ATOM 159 CG ASP A1128 16.533 -4.837 18.898 1.00 10.50 C ATOM 160 OD1 ASP A1128 15.607 -4.749 19.732 1.00 9.99 O ATOM 161 OD2 ASP A1128 17.621 -4.261 19.012 1.00 13.16 O ATOM 162 H ASP A1128 15.017 -6.657 15.452 1.00 0.00 H ATOM 163 N VAL A1129 12.860 -5.592 18.270 1.00 6.84 N ATOM 164 CA VAL A1129 11.704 -4.720 18.245 1.00 6.91 C ATOM 165 C VAL A1129 11.978 -3.363 18.893 1.00 6.64 C ATOM 166 O VAL A1129 11.179 -2.456 18.736 1.00 6.24 O ATOM 167 CB VAL A1129 10.443 -5.351 18.881 1.00 7.15 C ATOM 168 CG1 VAL A1129 10.117 -6.672 18.191 1.00 7.20 C ATOM 169 CG2 VAL A1129 10.584 -5.517 20.389 1.00 7.59 C ATOM 170 H VAL A1129 12.857 -6.434 18.880 1.00 0.00 H ATOM 171 N THR A1130 13.105 -3.228 19.612 1.00 6.79 N ATOM 172 CA THR A1130 13.527 -1.919 20.156 1.00 7.11 C ATOM 173 C THR A1130 14.504 -1.177 19.256 1.00 7.26 C ATOM 174 O THR A1130 15.049 -0.133 19.635 1.00 7.96 O ATOM 175 CB THR A1130 14.116 -2.050 21.565 1.00 7.08 C ATOM 176 OG1 THR A1130 15.374 -2.736 21.518 1.00 7.26 O ATOM 177 CG2 THR A1130 13.184 -2.834 22.447 1.00 7.55 C ATOM 178 HG1 THR A1130 15.241 -3.640 21.138 1.00 0.00 H ATOM 179 H THR A1130 13.696 -4.065 19.791 1.00 0.00 H ATOM 180 N GLN A1131 14.745 -1.688 18.052 1.00 6.84 N ATOM 181 CA GLN A1131 15.683 -1.060 17.135 1.00 6.77 C ATOM 182 C GLN A1131 15.169 0.319 16.736 1.00 6.90 C ATOM 183 O GLN A1131 13.977 0.473 16.419 1.00 6.61 O ATOM 184 CB GLN A1131 15.859 -1.935 15.902 1.00 7.01 C ATOM 185 CG GLN A1131 16.896 -1.451 14.929 1.00 7.05 C ATOM 186 CD GLN A1131 17.268 -2.474 13.888 1.00 7.15 C ATOM 187 OE1 GLN A1131 17.178 -3.694 14.101 1.00 7.84 O ATOM 188 NE2 GLN A1131 17.733 -1.992 12.764 1.00 7.32 N ATOM 189 HE22 GLN A1131 17.792 -0.963 12.624 1.00 0.00 H ATOM 190 HE21 GLN A1131 18.043 -2.638 12.010 1.00 0.00 H ATOM 191 H GLN A1131 14.252 -2.556 17.760 1.00 0.00 H ATOM 192 N PRO A1132 16.036 1.339 16.770 1.00 6.78 N ATOM 193 CA PRO A1132 15.567 2.696 16.409 1.00 6.68 C ATOM 194 C PRO A1132 15.453 2.899 14.910 1.00 6.39 C ATOM 195 O PRO A1132 15.968 2.080 14.114 1.00 6.35 O ATOM 196 CB PRO A1132 16.659 3.600 16.978 1.00 6.98 C ATOM 197 CG PRO A1132 17.859 2.746 16.920 1.00 7.19 C ATOM 198 CD PRO A1132 17.430 1.340 17.225 1.00 7.06 C ATOM 199 N CYS A1133 14.794 3.984 14.524 1.00 6.18 N ATOM 200 CA CYS A1133 14.681 4.331 13.107 1.00 6.17 C ATOM 201 C CYS A1133 16.067 4.510 12.504 1.00 6.56 C ATOM 202 O CYS A1133 16.892 5.278 13.033 1.00 6.34 O ATOM 203 CB CYS A1133 13.906 5.616 12.901 1.00 6.23 C ATOM 204 SG CYS A1133 13.767 6.126 11.176 1.00 6.03 S ATOM 205 H CYS A1133 14.352 4.596 15.239 1.00 0.00 H ATOM 206 N GLY A1134 16.300 3.870 11.373 1.00 6.74 N ATOM 207 CA GLY A1134 17.567 3.975 10.668 1.00 7.69 C ATOM 208 C GLY A1134 17.925 5.340 10.125 1.00 8.31 C ATOM 209 O GLY A1134 19.127 5.595 9.833 1.00 9.60 O ATOM 210 H GLY A1134 15.551 3.270 10.972 1.00 0.00 H ATOM 211 N ASP A1135 16.956 6.220 10.002 1.00 8.98 N ATOM 212 CA ASP A1135 17.188 7.577 9.545 1.00 9.57 C ATOM 213 C ASP A1135 17.325 8.496 10.754 1.00 8.80 C ATOM 214 O ASP A1135 18.442 8.998 11.035 1.00 9.05 O ATOM 215 CB ASP A1135 16.060 8.008 8.604 1.00 10.86 C ATOM 216 CG ASP A1135 16.381 9.266 7.835 1.00 13.21 C ATOM 217 OD1 ASP A1135 16.781 10.273 8.441 1.00 15.73 O ATOM 218 OD2 ASP A1135 16.169 9.259 6.613 1.00 16.89 O ATOM 219 H ASP A1135 15.986 5.932 10.242 1.00 0.00 H ATOM 220 N CYS A1136 16.251 8.668 11.524 1.00 7.79 N ATOM 221 CA CYS A1136 16.211 9.725 12.588 1.00 7.61 C ATOM 222 C CYS A1136 16.513 9.224 13.996 1.00 7.59 C ATOM 223 O CYS A1136 16.607 10.036 14.921 1.00 7.88 O ATOM 224 CB CYS A1136 14.864 10.423 12.626 1.00 7.68 C ATOM 225 SG CYS A1136 13.467 9.403 13.104 1.00 6.78 S ATOM 226 H CYS A1136 15.422 8.056 11.384 1.00 0.00 H ATOM 227 N GLY A1137 16.652 7.913 14.166 1.00 7.50 N ATOM 228 CA GLY A1137 17.025 7.331 15.453 1.00 7.18 C ATOM 229 C GLY A1137 15.937 7.292 16.497 1.00 7.52 C ATOM 230 O GLY A1137 16.191 6.949 17.648 1.00 7.48 O ATOM 231 H GLY A1137 16.490 7.281 13.356 1.00 0.00 H ATOM 232 N THR A1138 14.703 7.614 16.121 1.00 7.46 N ATOM 233 CA THR A1138 13.658 7.658 17.105 1.00 8.19 C ATOM 234 C THR A1138 13.389 6.244 17.569 1.00 8.39 C ATOM 235 O THR A1138 13.557 5.289 16.807 1.00 7.43 O ATOM 236 CB THR A1138 12.348 8.301 16.582 1.00 8.99 C ATOM 237 OG1 THR A1138 11.392 8.345 17.633 1.00 10.44 O ATOM 238 CG2 THR A1138 11.736 7.510 15.457 1.00 8.67 C ATOM 239 HG1 THR A1138 10.555 8.756 17.299 1.00 0.00 H ATOM 240 H THR A1138 14.497 7.832 15.125 1.00 0.00 H ATOM 241 N ILE A1139 12.969 6.113 18.812 1.00 9.20 N ATOM 242 CA ILE A1139 12.542 4.809 19.307 1.00 11.08 C ATOM 243 C ILE A1139 11.033 4.615 19.253 1.00 11.32 C ATOM 244 O ILE A1139 10.588 3.556 19.613 1.00 12.52 O ATOM 245 CB ILE A1139 13.156 4.473 20.666 1.00 13.58 C ATOM 246 CG1 ILE A1139 12.728 5.475 21.718 1.00 15.67 C ATOM 247 CG2 ILE A1139 14.686 4.408 20.532 1.00 15.42 C ATOM 248 CD1 ILE A1139 13.260 5.147 23.123 1.00 17.00 C ATOM 249 H ILE A1139 12.942 6.941 19.441 1.00 0.00 H ATOM 250 N GLN A1140 10.294 5.578 18.700 1.00 11.30 N ATOM 251 CA GLN A1140 8.851 5.565 18.695 1.00 11.62 C ATOM 252 C GLN A1140 8.269 5.020 17.367 1.00 10.57 C ATOM 253 O GLN A1140 8.678 5.444 16.302 1.00 11.51 O ATOM 254 CB GLN A1140 8.363 7.006 18.871 1.00 13.20 C ATOM 255 CG GLN A1140 8.977 7.677 20.087 1.00 15.95 C ATOM 256 CD GLN A1140 8.226 8.923 20.469 1.00 17.76 C ATOM 257 OE1 GLN A1140 7.018 8.901 20.507 1.00 21.70 O ATOM 258 NE2 GLN A1140 8.930 9.996 20.780 1.00 20.42 N ATOM 259 HE22 GLN A1140 9.969 9.968 20.733 1.00 0.00 H ATOM 260 HE21 GLN A1140 8.446 10.869 21.072 1.00 0.00 H ATOM 261 H GLN A1140 10.782 6.378 18.250 1.00 0.00 H ATOM 262 N GLU A1141 7.286 4.163 17.468 1.00 9.75 N ATOM 263 CA GLU A1141 6.494 3.748 16.355 1.00 8.87 C ATOM 264 C GLU A1141 7.302 3.299 15.142 1.00 8.02 C ATOM 265 O GLU A1141 7.048 3.731 14.023 1.00 7.25 O ATOM 266 CB GLU A1141 5.484 4.830 15.992 1.00 9.41 C ATOM 267 CG GLU A1141 4.492 5.046 17.119 1.00 11.13 C ATOM 268 H GLU A1141 7.071 3.765 18.404 1.00 0.00 H ATOM 269 N ASN A1142 8.235 2.384 15.343 1.00 6.83 N ATOM 270 CA ASN A1142 8.985 1.851 14.210 1.00 6.25 C ATOM 271 C ASN A1142 8.357 0.599 13.618 1.00 5.77 C ATOM 272 O ASN A1142 7.539 -0.082 14.238 1.00 5.22 O ATOM 273 CB ASN A1142 10.437 1.571 14.661 1.00 6.62 C ATOM 274 CG ASN A1142 11.200 2.854 14.938 1.00 6.93 C ATOM 275 OD1 ASN A1142 11.176 3.748 14.118 1.00 8.11 O ATOM 276 ND2 ASN A1142 11.817 2.980 16.114 1.00 6.94 N ATOM 277 HD22 ASN A1142 11.815 2.190 16.790 1.00 0.00 H ATOM 278 HD21 ASN A1142 12.300 3.869 16.355 1.00 0.00 H ATOM 279 H ASN A1142 8.434 2.045 16.306 1.00 0.00 H ATOM 280 N TRP A1143 8.734 0.382 12.381 1.00 5.52 N ATOM 281 CA TRP A1143 8.292 -0.717 11.545 1.00 5.31 C ATOM 282 C TRP A1143 9.542 -1.374 10.968 1.00 4.85 C ATOM 283 O TRP A1143 10.563 -0.723 10.816 1.00 4.79 O ATOM 284 CB TRP A1143 7.448 -0.184 10.388 1.00 5.96 C ATOM 285 CG TRP A1143 6.158 0.437 10.831 1.00 6.55 C ATOM 286 CD1 TRP A1143 5.999 1.599 11.534 1.00 6.97 C ATOM 287 CD2 TRP A1143 4.856 -0.117 10.687 1.00 6.86 C ATOM 288 NE1 TRP A1143 4.674 1.826 11.787 1.00 8.06 N ATOM 289 CE2 TRP A1143 3.955 0.776 11.291 1.00 7.12 C ATOM 290 CE3 TRP A1143 4.367 -1.288 10.124 1.00 6.78 C ATOM 291 CZ2 TRP A1143 2.584 0.548 11.309 1.00 7.31 C ATOM 292 CZ3 TRP A1143 3.016 -1.543 10.151 1.00 6.93 C ATOM 293 CH2 TRP A1143 2.124 -0.600 10.711 1.00 7.21 C ATOM 294 HE1 TRP A1143 4.281 2.657 12.274 1.00 0.00 H ATOM 295 H TRP A1143 9.408 1.056 11.964 1.00 0.00 H ATOM 296 N VAL A1144 9.445 -2.654 10.644 1.00 4.42 N ATOM 297 CA VAL A1144 10.526 -3.364 9.973 1.00 4.33 C ATOM 298 C VAL A1144 10.059 -3.762 8.567 1.00 4.15 C ATOM 299 O VAL A1144 8.929 -4.228 8.379 1.00 4.39 O ATOM 300 CB VAL A1144 11.038 -4.587 10.754 1.00 4.22 C ATOM 301 CG1 VAL A1144 9.963 -5.666 11.013 1.00 4.20 C ATOM 302 CG2 VAL A1144 12.279 -5.164 10.091 1.00 4.18 C ATOM 303 H VAL A1144 8.571 -3.168 10.875 1.00 0.00 H ATOM 304 N CYS A1145 10.933 -3.552 7.578 1.00 4.31 N ATOM 305 CA CYS A1145 10.624 -3.912 6.208 1.00 4.48 C ATOM 306 C CYS A1145 10.729 -5.427 6.026 1.00 4.54 C ATOM 307 O CYS A1145 11.767 -6.013 6.301 1.00 3.95 O ATOM 308 CB CYS A1145 11.570 -3.198 5.235 1.00 4.75 C ATOM 309 SG CYS A1145 11.134 -3.584 3.534 1.00 5.19 S ATOM 310 H CYS A1145 11.854 -3.121 7.796 1.00 0.00 H ATOM 311 N LEU A1146 9.696 -6.061 5.478 1.00 4.45 N ATOM 312 CA LEU A1146 9.698 -7.511 5.334 1.00 4.68 C ATOM 313 C LEU A1146 10.410 -7.961 4.075 1.00 4.96 C ATOM 314 O LEU A1146 10.461 -9.154 3.859 1.00 5.08 O ATOM 315 CB LEU A1146 8.279 -8.068 5.425 1.00 4.63 C ATOM 316 CG LEU A1146 7.602 -7.871 6.781 1.00 4.48 C ATOM 317 CD1 LEU A1146 6.201 -8.462 6.791 1.00 4.63 C ATOM 318 CD2 LEU A1146 8.425 -8.391 7.926 1.00 4.46 C ATOM 319 H LEU A1146 8.875 -5.514 5.148 1.00 0.00 H ATOM 320 N SER A1147 10.970 -7.023 3.299 1.00 4.98 N ATOM 321 CA SER A1147 11.854 -7.421 2.184 1.00 5.24 C ATOM 322 C SER A1147 13.313 -7.351 2.646 1.00 5.76 C ATOM 323 O SER A1147 14.027 -8.338 2.564 1.00 7.00 O ATOM 324 CB SER A1147 11.582 -6.621 0.934 1.00 5.07 C ATOM 325 OG SER A1147 10.271 -6.888 0.426 1.00 4.97 O ATOM 326 HG SER A1147 10.192 -7.851 0.210 1.00 0.00 H ATOM 327 H SER A1147 10.783 -6.016 3.481 1.00 0.00 H ATOM 328 N CYS A1148 13.745 -6.219 3.188 1.00 5.55 N ATOM 329 CA CYS A1148 15.188 -5.989 3.494 1.00 5.79 C ATOM 330 C CYS A1148 15.511 -5.850 4.980 1.00 5.50 C ATOM 331 O CYS A1148 16.691 -5.713 5.342 1.00 5.53 O ATOM 332 CB CYS A1148 15.706 -4.768 2.710 1.00 6.15 C ATOM 333 SG CYS A1148 15.109 -3.174 3.333 1.00 7.43 S ATOM 334 H CYS A1148 13.058 -5.470 3.406 1.00 0.00 H ATOM 335 N TYR A1149 14.482 -5.800 5.837 1.00 5.14 N ATOM 336 CA TYR A1149 14.648 -5.845 7.287 1.00 5.15 C ATOM 337 C TYR A1149 15.343 -4.633 7.890 1.00 5.22 C ATOM 338 O TYR A1149 15.826 -4.684 9.024 1.00 5.04 O ATOM 339 CB TYR A1149 15.258 -7.202 7.697 1.00 5.33 C ATOM 340 CG TYR A1149 14.266 -8.294 7.496 1.00 5.26 C ATOM 341 CD1 TYR A1149 13.330 -8.620 8.494 1.00 5.63 C ATOM 342 CD2 TYR A1149 14.176 -8.967 6.272 1.00 5.43 C ATOM 343 CE1 TYR A1149 12.371 -9.595 8.281 1.00 5.75 C ATOM 344 CE2 TYR A1149 13.224 -9.947 6.060 1.00 5.65 C ATOM 345 CZ TYR A1149 12.328 -10.273 7.038 1.00 5.87 C ATOM 346 OH TYR A1149 11.382 -11.236 6.787 1.00 6.14 O ATOM 347 HH TYR A1149 11.832 -12.091 6.570 1.00 0.00 H ATOM 348 H TYR A1149 13.519 -5.726 5.451 1.00 0.00 H ATOM 349 N GLN A1150 15.351 -3.539 7.129 1.00 5.42 N ATOM 350 CA GLN A1150 15.653 -2.230 7.677 1.00 5.92 C ATOM 351 C GLN A1150 14.470 -1.727 8.517 1.00 5.32 C ATOM 352 O GLN A1150 13.313 -2.163 8.320 1.00 5.06 O ATOM 353 CB GLN A1150 16.055 -1.242 6.609 1.00 7.29 C ATOM 354 CG GLN A1150 17.346 -1.649 5.969 1.00 8.56 C ATOM 355 CD GLN A1150 17.629 -0.932 4.684 1.00 11.32 C ATOM 356 OE1 GLN A1150 17.082 0.115 4.417 1.00 14.49 O ATOM 357 NE2 GLN A1150 18.489 -1.530 3.850 1.00 14.45 N ATOM 358 HE22 GLN A1150 18.936 -2.429 4.121 1.00 0.00 H ATOM 359 HE21 GLN A1150 18.710 -1.095 2.931 1.00 0.00 H ATOM 360 H GLN A1150 15.135 -3.626 6.115 1.00 0.00 H ATOM 361 N VAL A1151 14.793 -0.909 9.503 1.00 4.74 N ATOM 362 CA VAL A1151 13.828 -0.413 10.487 1.00 4.73 C ATOM 363 C VAL A1151 13.715 1.103 10.330 1.00 4.79 C ATOM 364 O VAL A1151 14.717 1.796 10.388 1.00 4.90 O ATOM 365 CB VAL A1151 14.272 -0.800 11.930 1.00 4.81 C ATOM 366 CG1 VAL A1151 13.328 -0.198 12.958 1.00 4.90 C ATOM 367 CG2 VAL A1151 14.281 -2.324 12.089 1.00 4.68 C ATOM 368 H VAL A1151 15.783 -0.602 9.585 1.00 0.00 H ATOM 369 N TYR A1152 12.484 1.578 10.189 1.00 4.77 N ATOM 370 CA TYR A1152 12.169 2.974 9.980 1.00 4.80 C ATOM 371 C TYR A1152 10.854 3.379 10.676 1.00 4.73 C ATOM 372 O TYR A1152 9.957 2.557 10.848 1.00 4.75 O ATOM 373 CB TYR A1152 12.081 3.301 8.498 1.00 4.94 C ATOM 374 CG TYR A1152 13.383 3.115 7.739 1.00 5.19 C ATOM 375 CD1 TYR A1152 14.462 3.979 7.973 1.00 5.38 C ATOM 376 CD2 TYR A1152 13.514 2.111 6.790 1.00 5.44 C ATOM 377 CE1 TYR A1152 15.648 3.818 7.282 1.00 5.88 C ATOM 378 CE2 TYR A1152 14.682 1.948 6.086 1.00 5.66 C ATOM 379 CZ TYR A1152 15.741 2.811 6.326 1.00 6.30 C ATOM 380 OH TYR A1152 16.967 2.666 5.644 1.00 7.26 O ATOM 381 HH TYR A1152 17.348 1.774 5.839 1.00 0.00 H ATOM 382 H TYR A1152 11.694 0.903 10.232 1.00 0.00 H ATOM 383 N CYS A1153 10.726 4.671 11.001 1.00 4.80 N ATOM 384 CA CYS A1153 9.599 5.138 11.804 1.00 4.94 C ATOM 385 C CYS A1153 8.313 5.287 10.996 1.00 5.00 C ATOM 386 O CYS A1153 8.323 5.463 9.754 1.00 4.70 O ATOM 387 CB CYS A1153 9.942 6.442 12.545 1.00 5.21 C ATOM 388 SG CYS A1153 10.265 7.849 11.498 1.00 5.87 S ATOM 389 H CYS A1153 11.441 5.353 10.677 1.00 0.00 H ATOM 390 N GLY A1154 7.208 5.193 11.725 1.00 5.04 N ATOM 391 CA GLY A1154 5.889 5.317 11.121 1.00 5.66 C ATOM 392 C GLY A1154 5.440 6.723 10.735 1.00 5.96 C ATOM 393 O GLY A1154 6.100 7.749 10.981 1.00 5.68 O ATOM 394 H GLY A1154 7.286 5.027 12.749 1.00 0.00 H ATOM 395 N ARG A1155 4.255 6.770 10.149 1.00 7.00 N ATOM 396 CA ARG A1155 3.746 7.953 9.493 1.00 7.95 C ATOM 397 C ARG A1155 3.488 9.079 10.478 1.00 7.83 C ATOM 398 O ARG A1155 3.536 10.263 10.091 1.00 9.01 O ATOM 399 CB ARG A1155 2.463 7.639 8.689 1.00 8.86 C ATOM 400 CG ARG A1155 1.308 7.149 9.536 1.00 9.82 C ATOM 401 CD ARG A1155 0.370 6.187 8.784 1.00 10.79 C ATOM 402 NE ARG A1155 -0.637 5.558 9.655 1.00 11.47 N ATOM 403 CZ ARG A1155 -0.414 4.581 10.533 1.00 12.16 C ATOM 404 NH1 ARG A1155 -1.420 4.084 11.239 1.00 12.86 N ATOM 405 NH2 ARG A1155 0.801 4.046 10.693 1.00 13.23 N ATOM 406 HE ARG A1155 -1.613 5.909 9.578 1.00 0.00 H ATOM 407 HH12 ARG A1155 -1.247 3.321 11.925 1.00 0.00 H ATOM 408 HH11 ARG A1155 -2.382 4.457 11.107 1.00 0.00 H ATOM 409 HH22 ARG A1155 0.947 3.284 11.386 1.00 0.00 H ATOM 410 HH21 ARG A1155 1.600 4.392 10.125 1.00 0.00 H ATOM 411 H ARG A1155 3.662 5.916 10.161 1.00 0.00 H ATOM 412 N TYR A1156 3.220 8.740 11.736 1.00 8.06 N ATOM 413 CA TYR A1156 2.932 9.757 12.732 1.00 8.57 C ATOM 414 C TYR A1156 4.172 10.303 13.398 1.00 8.78 C ATOM 415 O TYR A1156 4.070 11.284 14.149 1.00 9.26 O ATOM 416 CB TYR A1156 1.945 9.260 13.749 1.00 9.22 C ATOM 417 CG TYR A1156 0.612 8.905 13.138 1.00 9.62 C ATOM 418 CD1 TYR A1156 -0.072 9.815 12.338 1.00 9.93 C ATOM 419 CD2 TYR A1156 0.040 7.689 13.349 1.00 9.56 C ATOM 420 CE1 TYR A1156 -1.289 9.484 11.749 1.00 10.00 C ATOM 421 CE2 TYR A1156 -1.190 7.349 12.768 1.00 9.68 C ATOM 422 CZ TYR A1156 -1.839 8.247 11.971 1.00 9.98 C ATOM 423 OH TYR A1156 -3.051 7.897 11.410 1.00 10.86 O ATOM 424 HH TYR A1156 -2.930 7.100 10.836 1.00 0.00 H ATOM 425 H TYR A1156 3.217 7.737 12.009 1.00 0.00 H ATOM 426 N ILE A1157 5.337 9.720 13.148 1.00 7.80 N ATOM 427 CA ILE A1157 6.583 10.259 13.672 1.00 7.84 C ATOM 428 C ILE A1157 7.219 11.080 12.543 1.00 7.72 C ATOM 429 O ILE A1157 6.740 12.195 12.291 1.00 8.30 O ATOM 430 CB ILE A1157 7.485 9.161 14.249 1.00 7.92 C ATOM 431 CG1 ILE A1157 6.674 8.250 15.177 1.00 8.53 C ATOM 432 CG2 ILE A1157 8.689 9.801 14.946 1.00 7.84 C ATOM 433 CD1 ILE A1157 6.122 8.918 16.399 1.00 8.86 C ATOM 434 H ILE A1157 5.360 8.859 12.565 1.00 0.00 H ATOM 435 N ASN A1158 8.213 10.573 11.818 1.00 7.57 N ATOM 436 CA ASN A1158 8.842 11.302 10.727 1.00 7.71 C ATOM 437 C ASN A1158 8.678 10.639 9.357 1.00 7.47 C ATOM 438 O ASN A1158 9.223 11.123 8.357 1.00 7.37 O ATOM 439 CB ASN A1158 10.306 11.515 11.054 1.00 8.33 C ATOM 440 CG ASN A1158 10.494 12.411 12.291 1.00 8.99 C ATOM 441 OD1 ASN A1158 9.840 13.469 12.384 1.00 11.17 O ATOM 442 ND2 ASN A1158 11.342 12.014 13.220 1.00 8.85 N ATOM 443 HD22 ASN A1158 11.866 11.124 13.100 1.00 0.00 H ATOM 444 HD21 ASN A1158 11.487 12.591 14.073 1.00 0.00 H ATOM 445 H ASN A1158 8.554 9.616 12.040 1.00 0.00 H ATOM 446 N GLY A1159 7.870 9.586 9.300 1.00 6.76 N ATOM 447 CA GLY A1159 7.455 9.006 8.022 1.00 6.29 C ATOM 448 C GLY A1159 8.574 8.340 7.249 1.00 5.95 C ATOM 449 O GLY A1159 8.499 8.230 6.007 1.00 6.11 O ATOM 450 H GLY A1159 7.524 9.164 10.185 1.00 0.00 H ATOM 451 N HIS A1160 9.608 7.844 7.938 1.00 5.87 N ATOM 452 CA HIS A1160 10.733 7.257 7.222 1.00 5.80 C ATOM 453 C HIS A1160 10.426 5.896 6.595 1.00 5.55 C ATOM 454 O HIS A1160 10.983 5.599 5.536 1.00 5.64 O ATOM 455 CB HIS A1160 11.993 7.231 8.065 1.00 6.00 C ATOM 456 CG HIS A1160 12.516 8.597 8.293 1.00 6.16 C ATOM 457 ND1 HIS A1160 12.718 9.132 9.537 1.00 6.70 N ATOM 458 CD2 HIS A1160 12.788 9.585 7.407 1.00 6.81 C ATOM 459 CE1 HIS A1160 13.115 10.389 9.421 1.00 6.71 C ATOM 460 NE2 HIS A1160 13.172 10.690 8.135 1.00 6.79 N ATOM 461 H HIS A1160 9.609 7.877 8.977 1.00 0.00 H ATOM 462 N MET A1161 9.528 5.102 7.170 1.00 5.30 N ATOM 463 CA MET A1161 9.189 3.842 6.464 1.00 5.33 C ATOM 464 C MET A1161 8.409 4.126 5.147 1.00 5.39 C ATOM 465 O MET A1161 8.643 3.483 4.125 1.00 5.11 O ATOM 466 CB MET A1161 8.355 2.858 7.309 1.00 4.95 C ATOM 467 CG MET A1161 8.246 1.480 6.669 1.00 4.82 C ATOM 468 SD MET A1161 9.847 0.753 6.225 1.00 4.69 S ATOM 469 CE MET A1161 10.265 -0.118 7.729 1.00 4.75 C ATOM 470 H MET A1161 9.082 5.353 8.076 1.00 0.00 H ATOM 471 N LEU A1162 7.524 5.115 5.164 1.00 6.51 N ATOM 472 CA LEU A1162 6.849 5.534 3.955 1.00 7.69 C ATOM 473 C LEU A1162 7.872 6.020 2.909 1.00 7.62 C ATOM 474 O LEU A1162 7.805 5.668 1.734 1.00 7.22 O ATOM 475 CB LEU A1162 5.851 6.681 4.246 1.00 9.31 C ATOM 476 CG LEU A1162 5.062 7.196 3.042 1.00 11.46 C ATOM 477 CD1 LEU A1162 4.270 6.101 2.302 1.00 11.68 C ATOM 478 CD2 LEU A1162 4.159 8.339 3.509 1.00 12.91 C ATOM 479 H LEU A1162 7.312 5.597 6.061 1.00 0.00 H ATOM 480 N GLN A1163 8.855 6.812 3.325 1.00 7.58 N ATOM 481 CA GLN A1163 9.948 7.173 2.441 1.00 8.21 C ATOM 482 C GLN A1163 10.701 5.949 1.912 1.00 7.31 C ATOM 483 O GLN A1163 11.063 5.894 0.737 1.00 7.01 O ATOM 484 CB GLN A1163 10.897 8.113 3.176 1.00 10.46 C ATOM 485 CG GLN A1163 12.098 8.585 2.405 1.00 13.73 C ATOM 486 CD GLN A1163 12.961 9.465 3.282 1.00 17.97 C ATOM 487 OE1 GLN A1163 14.028 9.053 3.767 1.00 26.09 O ATOM 488 NE2 GLN A1163 12.460 10.613 3.573 1.00 19.84 N ATOM 489 HE22 GLN A1163 11.563 10.914 3.141 1.00 0.00 H ATOM 490 HE21 GLN A1163 12.952 11.241 4.241 1.00 0.00 H ATOM 491 H GLN A1163 8.841 7.178 4.298 1.00 0.00 H ATOM 492 N HIS A1164 10.977 4.978 2.768 1.00 6.28 N ATOM 493 CA HIS A1164 11.635 3.757 2.322 1.00 6.16 C ATOM 494 C HIS A1164 10.809 3.038 1.286 1.00 6.07 C ATOM 495 O HIS A1164 11.359 2.539 0.278 1.00 6.58 O ATOM 496 CB HIS A1164 11.899 2.845 3.510 1.00 5.89 C ATOM 497 CG HIS A1164 12.501 1.530 3.137 1.00 6.00 C ATOM 498 ND1 HIS A1164 13.770 1.410 2.607 1.00 6.10 N ATOM 499 CD2 HIS A1164 11.973 0.292 3.150 1.00 5.94 C ATOM 500 CE1 HIS A1164 14.025 0.129 2.380 1.00 6.08 C ATOM 501 NE2 HIS A1164 12.949 -0.568 2.691 1.00 6.05 N ATOM 502 H HIS A1164 10.721 5.088 3.770 1.00 0.00 H ATOM 503 N HIS A1165 9.505 2.915 1.537 1.00 5.93 N ATOM 504 CA HIS A1165 8.619 2.320 0.527 1.00 5.99 C ATOM 505 C HIS A1165 8.780 3.048 -0.840 1.00 6.49 C ATOM 506 O HIS A1165 8.898 2.409 -1.920 1.00 6.59 O ATOM 507 CB HIS A1165 7.155 2.343 0.949 1.00 6.18 C ATOM 508 CG HIS A1165 6.263 2.042 -0.180 1.00 6.22 C ATOM 509 ND1 HIS A1165 6.211 0.792 -0.745 1.00 6.67 N ATOM 510 CD2 HIS A1165 5.482 2.849 -0.942 1.00 6.83 C ATOM 511 CE1 HIS A1165 5.409 0.829 -1.795 1.00 7.17 C ATOM 512 NE2 HIS A1165 4.949 2.055 -1.929 1.00 6.53 N ATOM 513 H HIS A1165 9.116 3.239 2.445 1.00 0.00 H ATOM 514 N GLY A1166 8.842 4.363 -0.778 1.00 6.65 N ATOM 515 CA GLY A1166 8.952 5.160 -2.006 1.00 6.91 C ATOM 516 C GLY A1166 10.241 4.940 -2.741 1.00 7.41 C ATOM 517 O GLY A1166 10.240 4.874 -3.963 1.00 7.31 O ATOM 518 H GLY A1166 8.813 4.839 0.146 1.00 0.00 H ATOM 519 N ASN A1167 11.347 4.848 -2.001 1.00 8.31 N ATOM 520 CA ASN A1167 12.670 4.788 -2.630 1.00 9.06 C ATOM 521 C ASN A1167 13.163 3.391 -2.955 1.00 8.62 C ATOM 522 O ASN A1167 14.177 3.239 -3.681 1.00 9.07 O ATOM 523 CB ASN A1167 13.710 5.646 -1.889 1.00 10.91 C ATOM 524 CG ASN A1167 14.126 5.081 -0.540 1.00 11.98 C ATOM 525 OD1 ASN A1167 14.308 3.901 -0.397 1.00 13.64 O ATOM 526 ND2 ASN A1167 14.300 5.969 0.449 1.00 13.38 N ATOM 527 HD22 ASN A1167 14.130 6.980 0.276 1.00 0.00 H ATOM 528 HD21 ASN A1167 14.605 5.647 1.389 1.00 0.00 H ATOM 529 H ASN A1167 11.270 4.818 -0.964 1.00 0.00 H ATOM 530 N SER A1168 12.476 2.369 -2.420 1.00 7.56 N ATOM 531 CA SER A1168 12.802 0.983 -2.655 1.00 7.64 C ATOM 532 C SER A1168 11.716 0.185 -3.403 1.00 7.49 C ATOM 533 O SER A1168 12.027 -0.850 -4.049 1.00 7.60 O ATOM 534 CB SER A1168 13.062 0.267 -1.327 1.00 7.40 C ATOM 535 OG SER A1168 11.817 0.028 -0.670 1.00 7.35 O ATOM 536 HG SER A1168 11.364 0.892 -0.499 1.00 0.00 H ATOM 537 H SER A1168 11.667 2.588 -1.804 1.00 0.00 H ATOM 538 N GLY A1169 10.458 0.614 -3.248 1.00 6.90 N ATOM 539 CA GLY A1169 9.295 -0.117 -3.727 1.00 6.85 C ATOM 540 C GLY A1169 8.891 -1.293 -2.854 1.00 6.53 C ATOM 541 O GLY A1169 7.927 -2.030 -3.180 1.00 6.78 O ATOM 542 H GLY A1169 10.303 1.519 -2.759 1.00 0.00 H ATOM 543 N HIS A1170 9.617 -1.513 -1.746 1.00 6.00 N ATOM 544 CA HIS A1170 9.316 -2.673 -0.917 1.00 5.64 C ATOM 545 C HIS A1170 7.897 -2.535 -0.345 1.00 5.26 C ATOM 546 O HIS A1170 7.521 -1.448 0.108 1.00 5.20 O ATOM 547 CB HIS A1170 10.348 -2.862 0.195 1.00 5.52 C ATOM 548 CG HIS A1170 11.706 -3.215 -0.334 1.00 5.68 C ATOM 549 ND1 HIS A1170 12.860 -3.128 0.398 1.00 5.73 N ATOM 550 CD2 HIS A1170 12.095 -3.578 -1.583 1.00 5.76 C ATOM 551 CE1 HIS A1170 13.897 -3.459 -0.344 1.00 5.83 C ATOM 552 NE2 HIS A1170 13.457 -3.782 -1.544 1.00 5.94 N ATOM 553 H HIS A1170 10.385 -0.863 -1.483 1.00 0.00 H ATOM 554 N PRO A1171 7.088 -3.605 -0.445 1.00 5.01 N ATOM 555 CA PRO A1171 5.643 -3.460 -0.218 1.00 4.87 C ATOM 556 C PRO A1171 5.143 -3.528 1.235 1.00 4.64 C ATOM 557 O PRO A1171 4.250 -2.770 1.593 1.00 4.38 O ATOM 558 CB PRO A1171 5.056 -4.667 -0.989 1.00 4.94 C ATOM 559 CG PRO A1171 6.132 -5.694 -0.991 1.00 5.10 C ATOM 560 CD PRO A1171 7.400 -4.906 -1.082 1.00 5.08 C ATOM 561 N LEU A1172 5.669 -4.499 1.985 1.00 4.64 N ATOM 562 CA LEU A1172 5.107 -4.944 3.259 1.00 4.65 C ATOM 563 C LEU A1172 6.021 -4.659 4.427 1.00 4.54 C ATOM 564 O LEU A1172 7.216 -4.947 4.377 1.00 4.35 O ATOM 565 CB LEU A1172 4.803 -6.445 3.185 1.00 4.69 C ATOM 566 CG LEU A1172 3.503 -6.822 2.462 1.00 4.92 C ATOM 567 CD1 LEU A1172 3.662 -8.140 1.736 1.00 5.12 C ATOM 568 CD2 LEU A1172 2.339 -6.850 3.443 1.00 5.08 C ATOM 569 H LEU A1172 6.532 -4.968 1.642 1.00 0.00 H ATOM 570 N VAL A1173 5.436 -4.101 5.484 1.00 4.47 N ATOM 571 CA VAL A1173 6.178 -3.703 6.673 1.00 4.56 C ATOM 572 C VAL A1173 5.431 -4.178 7.928 1.00 4.84 C ATOM 573 O VAL A1173 4.191 -4.235 7.932 1.00 4.88 O ATOM 574 CB VAL A1173 6.387 -2.163 6.668 1.00 4.44 C ATOM 575 CG1 VAL A1173 7.270 -1.782 5.500 1.00 4.56 C ATOM 576 CG2 VAL A1173 5.061 -1.373 6.624 1.00 4.43 C ATOM 577 H VAL A1173 4.408 -3.943 5.460 1.00 0.00 H ATOM 578 N LEU A1174 6.178 -4.469 8.991 1.00 4.96 N ATOM 579 CA LEU A1174 5.658 -5.045 10.237 1.00 5.29 C ATOM 580 C LEU A1174 5.828 -4.053 11.372 1.00 5.26 C ATOM 581 O LEU A1174 6.923 -3.480 11.548 1.00 5.12 O ATOM 582 CB LEU A1174 6.370 -6.344 10.536 1.00 5.82 C ATOM 583 CG LEU A1174 5.988 -7.024 11.842 1.00 6.37 C ATOM 584 CD1 LEU A1174 4.580 -7.605 11.770 1.00 6.86 C ATOM 585 CD2 LEU A1174 7.022 -8.072 12.177 1.00 6.84 C ATOM 586 H LEU A1174 7.198 -4.275 8.935 1.00 0.00 H ATOM 587 N SER A1175 4.740 -3.789 12.095 1.00 5.36 N ATOM 588 CA SER A1175 4.781 -2.828 13.206 1.00 5.34 C ATOM 589 C SER A1175 5.405 -3.423 14.453 1.00 5.46 C ATOM 590 O SER A1175 4.983 -4.484 14.923 1.00 5.09 O ATOM 591 CB SER A1175 3.365 -2.401 13.598 1.00 5.40 C ATOM 592 OG SER A1175 3.388 -1.583 14.776 1.00 5.53 O ATOM 593 HG SER A1175 3.930 -0.773 14.603 1.00 0.00 H ATOM 594 H SER A1175 3.847 -4.271 11.869 1.00 0.00 H ATOM 595 N TYR A1176 6.351 -2.684 15.040 1.00 5.62 N ATOM 596 CA TYR A1176 6.928 -3.096 16.296 1.00 6.13 C ATOM 597 C TYR A1176 6.093 -2.697 17.510 1.00 7.61 C ATOM 598 O TYR A1176 6.433 -3.145 18.610 1.00 8.13 O ATOM 599 CB TYR A1176 8.362 -2.619 16.407 1.00 5.63 C ATOM 600 CG TYR A1176 9.382 -3.393 15.626 1.00 5.46 C ATOM 601 CD1 TYR A1176 9.166 -4.732 15.245 1.00 5.25 C ATOM 602 CD2 TYR A1176 10.615 -2.831 15.308 1.00 5.15 C ATOM 603 CE1 TYR A1176 10.128 -5.474 14.598 1.00 5.26 C ATOM 604 CE2 TYR A1176 11.591 -3.590 14.652 1.00 5.33 C ATOM 605 CZ TYR A1176 11.351 -4.919 14.337 1.00 5.32 C ATOM 606 OH TYR A1176 12.289 -5.727 13.702 1.00 5.89 O ATOM 607 HH TYR A1176 13.105 -5.784 14.260 1.00 0.00 H ATOM 608 H TYR A1176 6.674 -1.805 14.588 1.00 0.00 H ATOM 609 N ILE A1177 5.009 -1.931 17.290 1.00 8.91 N ATOM 610 CA ILE A1177 4.033 -1.630 18.331 1.00 10.60 C ATOM 611 C ILE A1177 3.005 -2.730 18.489 1.00 10.95 C ATOM 612 O ILE A1177 2.752 -3.164 19.618 1.00 11.31 O ATOM 613 CB ILE A1177 3.275 -0.319 18.063 1.00 13.21 C ATOM 614 CG1 ILE A1177 4.241 0.863 18.017 1.00 15.92 C ATOM 615 CG2 ILE A1177 2.192 -0.096 19.128 1.00 14.16 C ATOM 616 CD1 ILE A1177 4.816 1.242 19.356 1.00 18.72 C ATOM 617 H ILE A1177 4.861 -1.537 16.339 1.00 0.00 H ATOM 618 N ASP A1178 2.385 -3.171 17.387 1.00 10.14 N ATOM 619 CA ASP A1178 1.272 -4.130 17.504 1.00 11.29 C ATOM 620 C ASP A1178 1.362 -5.332 16.594 1.00 10.01 C ATOM 621 O ASP A1178 0.399 -6.087 16.523 1.00 10.26 O ATOM 622 CB ASP A1178 -0.074 -3.396 17.282 1.00 12.74 C ATOM 623 CG ASP A1178 -0.350 -3.112 15.838 1.00 15.45 C ATOM 624 OD1 ASP A1178 0.596 -3.184 15.027 1.00 13.06 O ATOM 625 OD2 ASP A1178 -1.541 -2.852 15.496 1.00 19.83 O ATOM 626 H ASP A1178 2.688 -2.837 16.450 1.00 0.00 H ATOM 627 N LEU A1179 2.496 -5.535 15.909 1.00 8.57 N ATOM 628 CA LEU A1179 2.751 -6.652 15.012 1.00 8.99 C ATOM 629 C LEU A1179 1.742 -6.802 13.885 1.00 8.57 C ATOM 630 O LEU A1179 1.599 -7.924 13.352 1.00 9.76 O ATOM 631 CB LEU A1179 2.912 -7.999 15.749 1.00 9.36 C ATOM 632 CG LEU A1179 3.803 -7.991 16.987 1.00 9.89 C ATOM 633 CD1 LEU A1179 3.875 -9.367 17.668 1.00 10.13 C ATOM 634 CD2 LEU A1179 5.183 -7.499 16.664 1.00 10.35 C ATOM 635 H LEU A1179 3.257 -4.836 16.029 1.00 0.00 H ATOM 636 N SER A1180 1.108 -5.724 13.499 1.00 8.79 N ATOM 637 CA SER A1180 0.341 -5.685 12.233 1.00 8.24 C ATOM 638 C SER A1180 1.292 -5.577 11.053 1.00 7.55 C ATOM 639 O SER A1180 2.385 -5.010 11.186 1.00 7.70 O ATOM 640 CB SER A1180 -0.672 -4.573 12.215 1.00 9.21 C ATOM 641 OG SER A1180 -0.123 -3.297 12.342 1.00 10.45 O ATOM 642 HG SER A1180 0.364 -3.233 13.201 1.00 0.00 H ATOM 643 H SER A1180 1.144 -4.873 14.096 1.00 0.00 H ATOM 644 N ALA A1181 0.836 -6.071 9.910 1.00 6.56 N ATOM 645 CA ALA A1181 1.557 -5.941 8.649 1.00 6.10 C ATOM 646 C ALA A1181 0.746 -5.132 7.671 1.00 5.66 C ATOM 647 O ALA A1181 -0.411 -5.476 7.382 1.00 5.49 O ATOM 648 CB ALA A1181 1.847 -7.279 8.044 1.00 6.24 C ATOM 649 H ALA A1181 -0.075 -6.573 9.913 1.00 0.00 H ATOM 650 N TRP A1182 1.341 -4.073 7.134 1.00 5.05 N ATOM 651 CA TRP A1182 0.704 -3.153 6.207 1.00 5.07 C ATOM 652 C TRP A1182 1.359 -3.288 4.864 1.00 4.94 C ATOM 653 O TRP A1182 2.601 -3.369 4.781 1.00 4.80 O ATOM 654 CB TRP A1182 0.921 -1.706 6.683 1.00 4.90 C ATOM 655 CG TRP A1182 0.377 -0.617 5.794 1.00 5.02 C ATOM 656 CD1 TRP A1182 1.067 0.124 4.922 1.00 5.16 C ATOM 657 CD2 TRP A1182 -0.991 -0.207 5.683 1.00 5.20 C ATOM 658 NE1 TRP A1182 0.243 1.002 4.260 1.00 5.19 N ATOM 659 CE2 TRP A1182 -1.034 0.818 4.717 1.00 5.35 C ATOM 660 CE3 TRP A1182 -2.167 -0.583 6.332 1.00 5.31 C ATOM 661 CZ2 TRP A1182 -2.209 1.469 4.395 1.00 5.56 C ATOM 662 CZ3 TRP A1182 -3.331 0.049 6.008 1.00 5.50 C ATOM 663 CH2 TRP A1182 -3.333 1.085 5.053 1.00 5.66 C ATOM 664 HE1 TRP A1182 0.539 1.688 3.536 1.00 0.00 H ATOM 665 H TRP A1182 2.331 -3.890 7.395 1.00 0.00 H ATOM 666 N CYS A1183 0.537 -3.313 3.816 1.00 4.71 N ATOM 667 CA CYS A1183 1.029 -3.286 2.457 1.00 4.77 C ATOM 668 C CYS A1183 0.761 -1.904 1.892 1.00 4.79 C ATOM 669 O CYS A1183 -0.402 -1.493 1.755 1.00 4.67 O ATOM 670 CB CYS A1183 0.357 -4.311 1.555 1.00 4.83 C ATOM 671 SG CYS A1183 0.940 -4.203 -0.167 1.00 4.84 S ATOM 672 H CYS A1183 -0.489 -3.353 3.980 1.00 0.00 H ATOM 673 N TYR A1184 1.813 -1.208 1.500 1.00 4.80 N ATOM 674 CA TYR A1184 1.671 0.143 0.974 1.00 5.10 C ATOM 675 C TYR A1184 0.986 0.205 -0.400 1.00 5.65 C ATOM 676 O TYR A1184 0.357 1.225 -0.717 1.00 6.35 O ATOM 677 CB TYR A1184 3.030 0.834 0.844 1.00 5.37 C ATOM 678 CG TYR A1184 3.631 1.252 2.135 1.00 5.42 C ATOM 679 CD1 TYR A1184 3.210 2.410 2.788 1.00 5.60 C ATOM 680 CD2 TYR A1184 4.673 0.516 2.708 1.00 5.61 C ATOM 681 CE1 TYR A1184 3.804 2.802 3.990 1.00 5.70 C ATOM 682 CE2 TYR A1184 5.265 0.898 3.886 1.00 5.71 C ATOM 683 CZ TYR A1184 4.819 2.042 4.525 1.00 5.89 C ATOM 684 OH TYR A1184 5.371 2.471 5.679 1.00 6.30 O ATOM 685 HH TYR A1184 4.916 3.299 5.973 1.00 0.00 H ATOM 686 H TYR A1184 2.760 -1.632 1.568 1.00 0.00 H ATOM 687 N TYR A1185 1.093 -0.860 -1.203 1.00 5.62 N ATOM 688 CA TYR A1185 0.412 -0.893 -2.513 1.00 6.16 C ATOM 689 C TYR A1185 -1.070 -1.169 -2.352 1.00 6.55 C ATOM 690 O TYR A1185 -1.896 -0.473 -2.932 1.00 7.11 O ATOM 691 CB TYR A1185 0.993 -1.972 -3.380 1.00 6.35 C ATOM 692 CG TYR A1185 2.413 -1.759 -3.847 1.00 6.75 C ATOM 693 CD1 TYR A1185 2.691 -0.985 -4.954 1.00 7.65 C ATOM 694 CD2 TYR A1185 3.467 -2.378 -3.219 1.00 7.10 C ATOM 695 CE1 TYR A1185 4.001 -0.803 -5.399 1.00 7.94 C ATOM 696 CE2 TYR A1185 4.768 -2.222 -3.651 1.00 7.36 C ATOM 697 CZ TYR A1185 5.045 -1.409 -4.726 1.00 8.22 C ATOM 698 OH TYR A1185 6.349 -1.261 -5.177 1.00 8.71 O ATOM 699 HH TYR A1185 6.908 -0.890 -4.450 1.00 0.00 H ATOM 700 H TYR A1185 1.663 -1.675 -0.901 1.00 0.00 H ATOM 701 N CYS A1186 -1.409 -2.188 -1.571 1.00 6.76 N ATOM 702 CA CYS A1186 -2.802 -2.529 -1.330 1.00 6.68 C ATOM 703 C CYS A1186 -3.506 -1.560 -0.365 1.00 7.25 C ATOM 704 O CYS A1186 -4.743 -1.546 -0.304 1.00 7.29 O ATOM 705 CB CYS A1186 -2.889 -3.972 -0.818 1.00 6.58 C ATOM 706 SG CYS A1186 -2.329 -5.213 -2.028 1.00 6.25 S ATOM 707 H CYS A1186 -0.662 -2.755 -1.122 1.00 0.00 H ATOM 708 N GLN A1187 -2.741 -0.759 0.372 1.00 7.79 N ATOM 709 CA GLN A1187 -3.273 0.176 1.340 1.00 9.02 C ATOM 710 C GLN A1187 -4.185 -0.561 2.313 1.00 8.10 C ATOM 711 O GLN A1187 -5.336 -0.161 2.584 1.00 8.43 O ATOM 712 CB GLN A1187 -3.987 1.341 0.652 1.00 11.10 C ATOM 713 CG GLN A1187 -3.153 2.051 -0.387 1.00 14.33 C ATOM 714 CD GLN A1187 -3.942 3.175 -1.044 1.00 19.03 C ATOM 715 OE1 GLN A1187 -4.084 4.260 -0.478 1.00 24.85 O ATOM 716 NE2 GLN A1187 -4.532 2.885 -2.192 1.00 22.99 N ATOM 717 HE22 GLN A1187 -4.383 1.955 -2.633 1.00 0.00 H ATOM 718 HE21 GLN A1187 -5.145 3.587 -2.653 1.00 0.00 H ATOM 719 H GLN A1187 -1.710 -0.807 0.246 1.00 0.00 H ATOM 720 N ALA A1188 -3.652 -1.641 2.858 1.00 7.21 N ATOM 721 CA ALA A1188 -4.372 -2.496 3.774 1.00 7.28 C ATOM 722 C ALA A1188 -3.461 -3.298 4.657 1.00 7.13 C ATOM 723 O ALA A1188 -2.268 -3.544 4.320 1.00 6.63 O ATOM 724 CB ALA A1188 -5.249 -3.463 3.001 1.00 7.41 C ATOM 725 H ALA A1188 -2.671 -1.886 2.617 1.00 0.00 H ATOM 726 N TYR A1189 -4.000 -3.716 5.804 1.00 7.19 N ATOM 727 CA TYR A1189 -3.342 -4.741 6.600 1.00 7.63 C ATOM 728 C TYR A1189 -3.593 -6.120 6.004 1.00 7.51 C ATOM 729 O TYR A1189 -4.635 -6.387 5.401 1.00 7.03 O ATOM 730 CB TYR A1189 -3.823 -4.749 8.042 1.00 8.43 C ATOM 731 CG TYR A1189 -3.544 -3.424 8.744 1.00 9.06 C ATOM 732 CD1 TYR A1189 -2.275 -3.123 9.206 1.00 10.56 C ATOM 733 CD2 TYR A1189 -4.550 -2.469 8.870 1.00 10.60 C ATOM 734 CE1 TYR A1189 -2.028 -1.909 9.858 1.00 10.82 C ATOM 735 CE2 TYR A1189 -4.306 -1.231 9.471 1.00 11.70 C ATOM 736 CZ TYR A1189 -3.051 -0.973 9.947 1.00 11.35 C ATOM 737 OH TYR A1189 -2.818 0.244 10.547 1.00 15.05 O ATOM 738 HH TYR A1189 -1.874 0.290 10.841 1.00 0.00 H ATOM 739 H TYR A1189 -4.898 -3.306 6.132 1.00 0.00 H ATOM 740 N VAL A1190 -2.625 -7.007 6.188 1.00 7.53 N ATOM 741 CA VAL A1190 -2.669 -8.337 5.585 1.00 7.86 C ATOM 742 C VAL A1190 -2.407 -9.355 6.687 1.00 8.85 C ATOM 743 O VAL A1190 -1.551 -9.132 7.544 1.00 7.83 O ATOM 744 CB VAL A1190 -1.626 -8.475 4.443 1.00 7.81 C ATOM 745 CG1 VAL A1190 -1.645 -9.879 3.823 1.00 7.80 C ATOM 746 CG2 VAL A1190 -1.863 -7.398 3.392 1.00 7.77 C ATOM 747 H VAL A1190 -1.810 -6.748 6.779 1.00 0.00 H ATOM 748 N HIS A1191 -3.136 -10.476 6.627 1.00 9.66 N ATOM 749 CA HIS A1191 -2.932 -11.637 7.518 1.00 11.06 C ATOM 750 C HIS A1191 -2.776 -12.844 6.621 1.00 10.81 C ATOM 751 O HIS A1191 -3.684 -13.124 5.843 1.00 11.54 O ATOM 752 CB HIS A1191 -4.166 -11.920 8.378 1.00 12.27 C ATOM 753 CG HIS A1191 -4.384 -10.938 9.464 1.00 13.62 C ATOM 754 ND1 HIS A1191 -3.455 -10.693 10.443 1.00 14.54 N ATOM 755 CD2 HIS A1191 -5.447 -10.150 9.741 1.00 14.72 C ATOM 756 CE1 HIS A1191 -3.915 -9.757 11.257 1.00 14.90 C ATOM 757 NE2 HIS A1191 -5.128 -9.424 10.861 1.00 15.01 N ATOM 758 H HIS A1191 -3.889 -10.533 5.912 1.00 0.00 H ATOM 759 N HIS A1192 -1.651 -13.533 6.711 1.00 9.96 N ATOM 760 CA HIS A1192 -1.458 -14.757 5.936 1.00 10.33 C ATOM 761 C HIS A1192 -0.460 -15.681 6.636 1.00 11.13 C ATOM 762 O HIS A1192 0.459 -15.215 7.329 1.00 11.30 O ATOM 763 CB HIS A1192 -1.012 -14.394 4.494 1.00 10.00 C ATOM 764 CG HIS A1192 -1.041 -15.557 3.556 1.00 9.58 C ATOM 765 ND1 HIS A1192 -0.043 -16.497 3.532 1.00 9.50 N ATOM 766 CD2 HIS A1192 -1.954 -15.957 2.634 1.00 9.76 C ATOM 767 CE1 HIS A1192 -0.329 -17.435 2.654 1.00 9.54 C ATOM 768 NE2 HIS A1192 -1.497 -17.143 2.101 1.00 9.77 N ATOM 769 H HIS A1192 -0.894 -13.200 7.341 1.00 0.00 H ATOM 770 N GLN A1193 -0.622 -17.001 6.442 1.00 11.95 N ATOM 771 CA GLN A1193 0.302 -18.000 6.986 1.00 13.34 C ATOM 772 C GLN A1193 1.776 -17.628 6.722 1.00 12.86 C ATOM 773 O GLN A1193 2.605 -17.822 7.564 1.00 14.27 O ATOM 774 CB GLN A1193 -0.013 -19.397 6.390 1.00 15.43 C ATOM 775 CG GLN A1193 0.752 -20.524 7.071 1.00 17.52 C ATOM 776 CD GLN A1193 0.373 -21.901 6.548 1.00 19.32 C ATOM 777 OE1 GLN A1193 -0.361 -22.033 5.554 1.00 22.82 O ATOM 778 NE2 GLN A1193 0.871 -22.938 7.223 1.00 20.89 N ATOM 779 HE22 GLN A1193 1.481 -22.776 8.049 1.00 0.00 H ATOM 780 HE21 GLN A1193 0.649 -23.909 6.923 1.00 0.00 H ATOM 781 H GLN A1193 -1.436 -17.327 5.883 1.00 0.00 H ATOM 782 N ALA A1194 2.094 -17.098 5.539 1.00 12.98 N ATOM 783 CA ALA A1194 3.426 -16.558 5.171 1.00 12.53 C ATOM 784 C ALA A1194 4.035 -15.515 6.083 1.00 11.96 C ATOM 785 O ALA A1194 5.235 -15.321 6.054 1.00 12.89 O ATOM 786 CB ALA A1194 3.475 -16.056 3.740 1.00 13.52 C ATOM 787 H ALA A1194 1.347 -17.060 4.816 1.00 0.00 H ATOM 788 N LEU A1195 3.211 -14.849 6.851 1.00 11.06 N ATOM 789 CA LEU A1195 3.671 -13.833 7.815 1.00 10.17 C ATOM 790 C LEU A1195 3.787 -14.377 9.229 1.00 10.40 C ATOM 791 O LEU A1195 4.309 -13.685 10.118 1.00 10.20 O ATOM 792 CB LEU A1195 2.696 -12.667 7.821 1.00 10.41 C ATOM 793 CG LEU A1195 2.527 -11.969 6.480 1.00 10.10 C ATOM 794 CD1 LEU A1195 1.550 -10.821 6.609 1.00 10.24 C ATOM 795 CD2 LEU A1195 3.858 -11.504 5.967 1.00 10.72 C ATOM 796 H LEU A1195 2.192 -15.044 6.778 1.00 0.00 H ATOM 797 N LEU A1196 3.391 -15.630 9.459 1.00 10.95 N ATOM 798 CA LEU A1196 3.416 -16.142 10.849 1.00 11.74 C ATOM 799 C LEU A1196 4.808 -16.268 11.421 1.00 12.53 C ATOM 800 O LEU A1196 5.030 -15.912 12.566 1.00 12.29 O ATOM 801 CB LEU A1196 2.620 -17.459 11.031 1.00 12.84 C ATOM 802 CG LEU A1196 1.096 -17.255 10.927 1.00 13.83 C ATOM 803 CD1 LEU A1196 0.373 -18.593 10.727 1.00 14.43 C ATOM 804 CD2 LEU A1196 0.498 -16.578 12.153 1.00 13.83 C ATOM 805 H LEU A1196 3.071 -16.236 8.677 1.00 0.00 H ATOM 806 N ASP A1197 5.755 -16.775 10.648 1.00 12.59 N ATOM 807 CA ASP A1197 7.109 -16.948 11.172 1.00 13.57 C ATOM 808 C ASP A1197 7.690 -15.606 11.642 1.00 11.97 C ATOM 809 O ASP A1197 8.221 -15.507 12.751 1.00 11.39 O ATOM 810 CB ASP A1197 8.023 -17.584 10.128 1.00 16.83 C ATOM 811 CG ASP A1197 7.821 -19.084 9.975 1.00 20.98 C ATOM 812 OD1 ASP A1197 7.222 -19.705 10.861 1.00 24.90 O ATOM 813 OD2 ASP A1197 8.299 -19.649 8.965 1.00 25.82 O ATOM 814 H ASP A1197 5.536 -17.050 9.669 1.00 0.00 H ATOM 815 N VAL A1198 7.590 -14.570 10.821 1.00 10.14 N ATOM 816 CA VAL A1198 8.189 -13.327 11.199 1.00 9.75 C ATOM 817 C VAL A1198 7.441 -12.673 12.378 1.00 8.96 C ATOM 818 O VAL A1198 8.044 -12.062 13.243 1.00 9.16 O ATOM 819 CB VAL A1198 8.311 -12.377 9.985 1.00 10.09 C ATOM 820 CG1 VAL A1198 6.965 -11.838 9.549 1.00 9.99 C ATOM 821 CG2 VAL A1198 9.253 -11.234 10.342 1.00 10.19 C ATOM 822 H VAL A1198 7.084 -14.659 9.917 1.00 0.00 H ATOM 823 N LYS A1199 6.105 -12.748 12.394 1.00 8.09 N ATOM 824 CA LYS A1199 5.348 -12.193 13.539 1.00 8.06 C ATOM 825 C LYS A1199 5.714 -12.917 14.812 1.00 7.77 C ATOM 826 O LYS A1199 5.911 -12.301 15.868 1.00 7.70 O ATOM 827 CB LYS A1199 3.846 -12.250 13.314 1.00 8.08 C ATOM 828 CG LYS A1199 3.381 -11.252 12.258 1.00 8.74 C ATOM 829 CD LYS A1199 1.887 -11.214 12.095 1.00 9.01 C ATOM 830 CE LYS A1199 1.442 -10.188 11.085 1.00 10.08 C ATOM 831 NZ LYS A1199 -0.057 -10.125 11.132 1.00 10.67 N ATOM 832 HZ1 LYS A1199 -0.450 -11.059 10.898 1.00 0.00 H ATOM 833 HZ2 LYS A1199 -0.361 -9.850 12.088 1.00 0.00 H ATOM 834 HZ3 LYS A1199 -0.395 -9.423 10.443 1.00 0.00 H ATOM 835 H LYS A1199 5.599 -13.196 11.603 1.00 0.00 H ATOM 836 N ASN A1200 5.893 -14.234 14.708 1.00 7.61 N ATOM 837 CA ASN A1200 6.275 -15.000 15.891 1.00 8.32 C ATOM 838 C ASN A1200 7.658 -14.624 16.455 1.00 8.50 C ATOM 839 O ASN A1200 7.809 -14.511 17.683 1.00 8.90 O ATOM 840 CB ASN A1200 6.228 -16.493 15.613 1.00 8.58 C ATOM 841 CG ASN A1200 4.815 -17.031 15.513 1.00 9.15 C ATOM 842 OD1 ASN A1200 3.842 -16.473 16.041 1.00 10.07 O ATOM 843 ND2 ASN A1200 4.698 -18.198 14.869 1.00 10.45 N ATOM 844 HD22 ASN A1200 5.535 -18.640 14.437 1.00 0.00 H ATOM 845 HD21 ASN A1200 3.770 -18.663 14.801 1.00 0.00 H ATOM 846 H ASN A1200 5.762 -14.711 13.793 1.00 0.00 H ATOM 847 N ILE A1201 8.641 -14.429 15.577 1.00 8.27 N ATOM 848 CA ILE A1201 9.979 -14.004 16.006 1.00 8.87 C ATOM 849 C ILE A1201 9.908 -12.636 16.667 1.00 8.67 C ATOM 850 O ILE A1201 10.486 -12.405 17.741 1.00 8.65 O ATOM 851 CB ILE A1201 10.970 -14.010 14.821 1.00 9.89 C ATOM 852 CG1 ILE A1201 11.274 -15.453 14.390 1.00 11.60 C ATOM 853 CG2 ILE A1201 12.242 -13.245 15.138 1.00 10.34 C ATOM 854 CD1 ILE A1201 11.780 -16.400 15.460 1.00 13.14 C ATOM 855 H ILE A1201 8.456 -14.581 14.565 1.00 0.00 H ATOM 856 N ALA A1202 9.171 -11.717 16.034 1.00 7.82 N ATOM 857 CA ALA A1202 8.995 -10.386 16.624 1.00 7.96 C ATOM 858 C ALA A1202 8.257 -10.459 17.972 1.00 8.48 C ATOM 859 O ALA A1202 8.665 -9.843 18.957 1.00 8.05 O ATOM 860 CB ALA A1202 8.242 -9.487 15.667 1.00 8.18 C ATOM 861 H ALA A1202 8.723 -11.946 15.124 1.00 0.00 H ATOM 862 N HIS A1203 7.158 -11.224 18.022 1.00 8.39 N ATOM 863 CA HIS A1203 6.423 -11.427 19.282 1.00 9.41 C ATOM 864 C HIS A1203 7.297 -11.990 20.409 1.00 9.63 C ATOM 865 O HIS A1203 7.198 -11.583 21.580 1.00 8.92 O ATOM 866 CB HIS A1203 5.312 -12.446 19.033 1.00 9.60 C ATOM 867 CG HIS A1203 4.321 -12.513 20.138 1.00 10.89 C ATOM 868 ND1 HIS A1203 3.145 -11.796 20.124 1.00 12.99 N ATOM 869 CD2 HIS A1203 4.362 -13.170 21.316 1.00 11.75 C ATOM 870 CE1 HIS A1203 2.491 -12.030 21.243 1.00 13.91 C ATOM 871 NE2 HIS A1203 3.201 -12.876 21.963 1.00 13.20 N ATOM 872 H HIS A1203 6.817 -11.684 17.154 1.00 0.00 H ATOM 873 N GLN A1204 8.120 -12.976 20.063 1.00 10.26 N ATOM 874 CA GLN A1204 9.056 -13.579 21.058 1.00 11.03 C ATOM 875 C GLN A1204 10.056 -12.532 21.586 1.00 10.98 C ATOM 876 O GLN A1204 10.345 -12.466 22.787 1.00 11.50 O ATOM 877 CB GLN A1204 9.758 -14.767 20.435 1.00 12.84 C ATOM 878 CG GLN A1204 8.834 -15.980 20.259 1.00 14.94 C ATOM 879 CD GLN A1204 9.220 -16.942 19.125 1.00 17.29 C ATOM 880 OE1 GLN A1204 10.355 -16.971 18.657 1.00 19.33 O ATOM 881 NE2 GLN A1204 8.248 -17.755 18.685 1.00 18.24 N ATOM 882 HE22 GLN A1204 7.298 -17.704 19.104 1.00 0.00 H ATOM 883 HE21 GLN A1204 8.445 -18.437 17.925 1.00 0.00 H ATOM 884 H GLN A1204 8.111 -13.332 19.086 1.00 0.00 H ATOM 885 N ASN A1205 10.568 -11.703 20.684 1.00 10.29 N ATOM 886 CA ASN A1205 11.518 -10.668 21.065 1.00 9.82 C ATOM 887 C ASN A1205 10.835 -9.605 21.911 1.00 9.73 C ATOM 888 O ASN A1205 11.404 -9.139 22.901 1.00 10.44 O ATOM 889 CB ASN A1205 12.202 -10.040 19.837 1.00 9.64 C ATOM 890 CG ASN A1205 13.246 -9.011 20.223 1.00 10.14 C ATOM 891 OD1 ASN A1205 13.046 -7.822 20.071 1.00 10.27 O ATOM 892 ND2 ASN A1205 14.366 -9.481 20.773 1.00 10.60 N ATOM 893 HD22 ASN A1205 14.499 -10.506 20.886 1.00 0.00 H ATOM 894 HD21 ASN A1205 15.106 -8.822 21.089 1.00 0.00 H ATOM 895 H ASN A1205 10.285 -11.795 19.687 1.00 0.00 H ATOM 896 N LYS A1206 9.619 -9.246 21.533 1.00 9.42 N ATOM 897 CA LYS A1206 8.897 -8.146 22.182 1.00 9.35 C ATOM 898 C LYS A1206 8.464 -8.528 23.599 1.00 10.72 C ATOM 899 O LYS A1206 8.617 -7.745 24.548 1.00 10.24 O ATOM 900 CB LYS A1206 7.672 -7.737 21.379 1.00 8.48 C ATOM 901 CG LYS A1206 7.001 -6.428 21.877 1.00 8.11 C ATOM 902 CD LYS A1206 5.996 -5.888 20.892 1.00 8.26 C ATOM 903 CE LYS A1206 5.236 -4.659 21.408 1.00 8.15 C ATOM 904 NZ LYS A1206 5.971 -3.363 21.322 1.00 8.47 N ATOM 905 HZ1 LYS A1206 6.845 -3.424 21.882 1.00 0.00 H ATOM 906 HZ2 LYS A1206 6.208 -3.165 20.329 1.00 0.00 H ATOM 907 HZ3 LYS A1206 5.371 -2.600 21.695 1.00 0.00 H ATOM 908 H LYS A1206 9.161 -9.759 20.753 1.00 0.00 H ATOM 909 N PHE A1207 7.859 -9.697 23.716 1.00 12.48 N ATOM 910 CA PHE A1207 7.230 -10.135 24.983 1.00 14.82 C ATOM 911 C PHE A1207 8.073 -11.086 25.837 1.00 18.34 C ATOM 912 O PHE A1207 7.630 -11.472 26.941 1.00 21.43 O ATOM 913 CB PHE A1207 5.825 -10.668 24.665 1.00 14.55 C ATOM 914 CG PHE A1207 4.915 -9.615 24.058 1.00 14.57 C ATOM 915 CD1 PHE A1207 4.437 -8.556 24.825 1.00 15.18 C ATOM 916 CD2 PHE A1207 4.560 -9.650 22.706 1.00 15.33 C ATOM 917 CE1 PHE A1207 3.626 -7.584 24.261 1.00 14.63 C ATOM 918 CE2 PHE A1207 3.762 -8.675 22.137 1.00 15.73 C ATOM 919 CZ PHE A1207 3.311 -7.620 22.905 1.00 15.55 C ATOM 920 H PHE A1207 7.823 -10.330 22.892 1.00 0.00 H ATOM 921 N GLY A1208 9.293 -11.411 25.388 1.00 20.49 N ATOM 922 CA GLY A1208 10.304 -12.101 26.215 1.00 20.05 C ATOM 923 H GLY A1208 9.540 -11.165 24.408 1.00 0.00 H TER 924 GLY A1208 HETATM 925 ZN ZN A 1 12.936 -2.622 2.464 1.00 6.14 ZN HETATM 926 ZN ZN A 2 12.560 8.172 11.391 1.00 6.17 ZN HETATM 927 ZN ZN A 3 -0.199 -5.871 -1.317 1.00 6.06 ZN HETATM 928 O HOH 4 15.555 11.081 5.274 1.00 30.14 O HETATM 929 O HOH 5 12.732 -16.045 19.136 1.00 20.46 O HETATM 930 O HOH 6 -8.734 -4.044 4.391 1.00 26.66 O HETATM 931 O HOH 7 4.829 0.593 14.747 1.00 16.11 O HETATM 932 O HOH 8 17.396 6.508 19.932 1.00 11.41 O HETATM 933 O HOH 9 -6.822 -3.045 -0.943 1.00 26.29 O HETATM 934 O HOH 10 4.600 -1.271 22.190 1.00 17.81 O HETATM 935 O HOH 11 -3.021 6.316 8.747 1.00 16.39 O HETATM 936 O HOH 12 6.388 5.959 7.654 1.00 6.23 O HETATM 937 O HOH 13 18.934 -4.511 4.489 1.00 13.17 O HETATM 938 O HOH 14 7.151 -16.275 4.434 1.00 23.17 O HETATM 939 O HOH 15 19.422 4.662 13.701 1.00 17.66 O HETATM 940 O HOH 16 -1.447 -7.879 9.921 1.00 5.05 O HETATM 941 O HOH 17 3.577 2.841 -4.116 1.00 10.54 O HETATM 942 O HOH 18 13.130 -10.241 24.662 1.00 22.62 O HETATM 943 O HOH 19 11.626 0.023 17.672 1.00 8.68 O HETATM 944 O HOH 20 17.655 -8.322 11.555 1.00 16.18 O HETATM 945 O HOH 21 -2.571 4.411 1.770 1.00 28.96 O HETATM 946 O HOH 22 14.855 -6.231 21.884 1.00 27.42 O HETATM 947 O HOH 23 14.632 -1.412 -4.593 1.00 25.34 O HETATM 948 O HOH 24 9.630 -8.169 27.041 1.00 10.07 O HETATM 949 O HOH 25 16.876 12.740 14.712 1.00 18.07 O HETATM 950 O HOH 26 1.116 -4.487 21.364 1.00 33.64 O HETATM 951 O HOH 27 5.012 11.297 8.024 1.00 27.36 O HETATM 952 O HOH 28 8.436 15.279 10.867 1.00 22.19 O HETATM 953 O HOH 29 16.028 12.574 9.762 1.00 32.42 O HETATM 954 O HOH 30 15.064 -5.457 13.891 1.00 6.55 O HETATM 955 O HOH 31 18.662 -15.164 16.137 1.00 23.19 O HETATM 956 O HOH 32 7.528 -14.752 0.333 1.00 25.37 O HETATM 957 O HOH 33 8.100 -5.998 1.962 1.00 7.80 O HETATM 958 O HOH 34 12.864 -13.514 18.664 1.00 11.34 O HETATM 959 O HOH 35 17.803 0.960 12.344 1.00 8.90 O HETATM 960 O HOH 36 16.936 3.286 -3.244 1.00 33.37 O HETATM 961 O HOH 37 7.325 10.115 4.307 1.00 20.58 O HETATM 962 O HOH 38 17.046 -9.284 18.866 1.00 21.84 O HETATM 963 O HOH 39 15.721 -6.265 11.336 1.00 11.98 O HETATM 964 O HOH 40 9.947 -1.079 20.848 1.00 10.46 O HETATM 965 O HOH 41 1.629 -12.730 -3.123 1.00 7.51 O HETATM 966 O HOH 42 14.828 -4.995 -3.683 1.00 20.65 O HETATM 967 O HOH 43 2.300 -3.846 -7.428 1.00 16.85 O HETATM 968 O HOH 44 7.288 -14.939 7.949 1.00 12.67 O HETATM 969 O HOH 45 9.877 13.836 7.931 1.00 26.72 O HETATM 970 O HOH 46 6.311 7.015 -0.251 1.00 20.23 O HETATM 971 O HOH 47 20.558 -14.801 7.706 1.00 16.36 O HETATM 972 O HOH 48 6.550 3.463 20.113 1.00 22.69 O HETATM 973 O HOH 49 18.109 -3.780 10.443 1.00 19.65 O HETATM 974 O HOH 50 5.324 -18.302 8.222 1.00 14.95 O HETATM 975 O HOH 51 8.624 -3.108 22.319 1.00 9.62 O HETATM 976 O HOH 52 3.626 12.993 10.901 1.00 17.54 O HETATM 977 O HOH 53 10.671 -3.143 -5.062 1.00 17.01 O HETATM 978 O HOH 54 9.149 -12.214 -5.385 1.00 18.61 O HETATM 979 O HOH 55 3.562 6.348 13.271 1.00 11.44 O HETATM 980 O HOH 56 9.219 -18.044 13.632 1.00 24.06 O HETATM 981 O HOH 57 -0.873 -8.662 16.475 1.00 24.94 O HETATM 982 O HOH 58 -4.555 0.350 -3.655 1.00 29.97 O HETATM 983 O HOH 59 -1.321 -9.314 13.585 1.00 15.70 O HETATM 984 O HOH 60 12.528 -6.503 23.183 1.00 10.34 O HETATM 985 O HOH 61 4.117 -8.324 -6.290 1.00 10.35 O HETATM 986 O HOH 62 3.010 3.729 13.172 1.00 25.59 O HETATM 987 O HOH 63 17.826 -1.649 20.237 1.00 16.91 O HETATM 988 O HOH 64 10.851 -15.626 2.107 1.00 17.85 O HETATM 989 O HOH 65 -3.029 -18.613 0.126 1.00 17.96 O HETATM 990 O HOH 66 11.709 1.214 20.913 1.00 15.00 O HETATM 991 O HOH 67 2.271 -22.438 9.738 1.00 22.64 O HETATM 992 O HOH 68 1.722 -12.615 -6.033 1.00 19.42 O HETATM 993 O HOH 69 17.580 -0.012 9.692 1.00 7.80 O HETATM 994 O HOH 70 -7.180 -0.175 4.874 1.00 34.22 O HETATM 995 O HOH 71 7.107 -19.586 13.802 1.00 24.50 O HETATM 996 O HOH 72 18.464 -16.388 7.263 1.00 16.65 O HETATM 997 O HOH 73 9.243 1.488 17.995 1.00 9.35 O HETATM 998 O HOH 74 -2.992 -18.196 5.141 1.00 15.75 O HETATM 999 O HOH 75 -4.963 2.189 9.930 1.00 22.94 O HETATM 1000 O HOH 76 -6.876 -3.057 6.107 1.00 14.03 O HETATM 1001 O HOH 77 -0.179 2.991 1.607 1.00 21.18 O HETATM 1002 O HOH 78 8.675 -0.495 2.674 1.00 26.86 O HETATM 1003 O HOH 79 14.321 8.928 0.148 1.00 24.48 O HETATM 1004 O HOH 80 18.818 -6.068 7.395 1.00 19.99 O HETATM 1005 O HOH 81 11.396 9.366 22.371 1.00 22.46 O HETATM 1006 O HOH 82 12.728 -17.058 7.281 1.00 24.45 O HETATM 1007 O HOH 83 14.976 -12.586 17.084 1.00 14.53 O HETATM 1008 O HOH 84 18.743 1.757 7.923 1.00 20.67 O HETATM 1009 O HOH 85 14.362 -12.534 21.066 1.00 21.04 O HETATM 1010 O HOH 86 11.298 13.124 16.091 1.00 29.09 O HETATM 1011 O HOH 87 0.978 0.341 14.639 1.00 22.27 O HETATM 1012 O HOH 88 15.769 -15.528 12.947 1.00 30.99 O HETATM 1013 O HOH 89 7.069 -18.968 6.190 1.00 27.41 O HETATM 1014 O HOH 90 19.386 -3.688 1.749 1.00 31.59 O HETATM 1015 O HOH 91 13.549 8.722 20.547 1.00 14.35 O HETATM 1016 O HOH 92 17.565 -11.947 18.400 1.00 28.61 O HETATM 1017 O HOH 93 9.800 -15.632 4.759 1.00 15.61 O HETATM 1018 O HOH 94 7.538 -0.127 19.777 1.00 26.50 O HETATM 1019 O HOH 95 0.578 -9.804 19.045 1.00 21.48 O HETATM 1020 O HOH 96 5.850 15.542 11.790 1.00 21.66 O HETATM 1021 O HOH 97 13.638 13.352 10.896 1.00 18.87 O HETATM 1022 O HOH 98 -1.192 -1.880 -6.096 1.00 23.36 O HETATM 1023 O HOH 99 18.050 12.859 11.705 1.00 32.39 O HETATM 1024 O HOH 100 -8.215 -3.256 8.514 1.00 23.61 O HETATM 1025 O HOH 101 3.121 14.724 14.025 1.00 20.37 O HETATM 1026 O HOH 102 19.540 -1.726 9.505 1.00 22.23 O HETATM 1027 O HOH 103 6.594 -20.456 20.751 1.00 34.33 O HETATM 1028 O HOH 104 -2.642 -3.839 -4.976 1.00 11.95 O HETATM 1029 O HOH 105 15.775 -15.063 15.746 1.00 20.25 O HETATM 1030 O HOH 106 12.194 -9.082 27.177 1.00 25.72 O HETATM 1031 O HOH 107 16.382 -0.963 -2.291 1.00 26.44 O HETATM 1032 O HOH 108 4.818 14.850 9.586 1.00 24.21 O HETATM 1033 O HOH 109 7.574 4.918 22.300 1.00 27.32 O HETATM 1034 O HOH 110 20.153 1.894 13.231 1.00 19.05 O HETATM 1035 O HOH 111 19.468 -2.427 22.798 1.00 21.55 O HETATM 1036 O HOH 112 9.339 16.664 15.499 1.00 31.70 O HETATM 1037 O HOH 113 5.177 -17.377 21.948 1.00 13.24 O HETATM 1038 O HOH 114 -7.273 -4.038 10.967 1.00 27.35 O HETATM 1039 O HOH 115 -8.915 -3.296 1.809 1.00 28.36 O HETATM 1040 O HOH 116 20.326 -8.796 10.565 1.00 25.29 O HETATM 1041 O HOH 117 11.498 -17.581 0.738 1.00 30.09 O HETATM 1042 O HOH 118 20.009 -8.297 7.695 1.00 23.10 O HETATM 1043 C4 UNN A 119 -0.466 6.704 3.390 1.00 0.01 C HETATM 1044 N UNN A 119 -1.495 6.672 4.248 1.00 -0.30 N HETATM 1045 C3 UNN A 119 -1.460 5.763 5.227 1.00 0.02 C HETATM 1046 C2 UNN A 119 -0.437 4.834 5.373 1.00 0.02 C HETATM 1047 C5 UNN A 119 -0.494 3.795 6.419 1.00 0.10 C HETATM 1048 N1 UNN A 119 0.661 3.299 6.809 1.00 -0.14 N HETATM 1049 N2 UNN A 119 0.607 2.355 7.836 1.00 -0.13 N HETATM 1050 C6 UNN A 119 -0.581 1.905 8.483 1.00 0.23 C HETATM 1051 C7 UNN A 119 -1.766 2.499 8.006 1.00 0.01 C HETATM 1052 C8 UNN A 119 -1.743 3.396 7.015 1.00 -0.03 C HETATM 1053 H3 UNN A 119 -2.676 3.828 6.656 1.00 0.07 H HETATM 1054 H2 UNN A 119 -2.720 2.222 8.453 1.00 0.06 H HETATM 1055 O UNN A 119 -0.513 1.086 9.371 1.00 -0.41 O HETATM 1056 C9 UNN A 119 1.885 1.847 8.348 1.00 0.10 C HETATM 1057 C10 UNN A 119 3.102 2.326 7.592 1.00 0.03 C HETATM 1058 C11 UNN A 119 3.589 3.700 7.966 1.00 0.04 C HETATM 1059 O1 UNN A 119 4.329 4.291 7.236 1.00 -0.57 O HETATM 1060 O2 UNN A 119 3.127 4.201 9.077 1.00 -0.57 O HETATM 1061 H6 UNN A 119 2.856 2.332 6.520 1.00 0.05 H HETATM 1062 H7 UNN A 119 3.919 1.613 7.776 1.00 0.05 H HETATM 1063 H4 UNN A 119 1.862 0.748 8.299 1.00 0.07 H HETATM 1064 H5 UNN A 119 1.985 2.165 9.396 1.00 0.07 H HETATM 1065 C1 UNN A 119 0.604 4.884 4.457 1.00 -0.04 C HETATM 1066 C UNN A 119 0.604 5.845 3.464 1.00 -0.04 C HETATM 1067 H10 UNN A 119 1.427 5.919 2.762 1.00 0.07 H HETATM 1068 H8 UNN A 119 1.417 4.170 4.520 1.00 0.07 H HETATM 1069 H9 UNN A 119 -2.272 5.750 5.945 1.00 0.08 H HETATM 1070 H1 UNN A 119 -0.478 7.444 2.598 1.00 0.08 H CONECT 47 46 927 CONECT 62 61 64 927 CONECT 204 203 926 CONECT 225 224 926 CONECT 309 308 925 CONECT 333 332 925 CONECT 388 387 926 CONECT 457 456 459 926 CONECT 501 499 500 925 CONECT 549 548 551 925 CONECT 671 670 927 CONECT 706 705 927 CONECT 925 309 333 501 549 CONECT 926 204 225 388 457 CONECT 927 47 62 671 706 CONECT 1043 1044 1066 1070 CONECT 1044 1043 1045 CONECT 1045 1044 1046 1069 CONECT 1046 1045 1047 1065 CONECT 1047 1046 1048 1052 CONECT 1048 1047 1049 CONECT 1049 1048 1050 1056 CONECT 1050 1049 1051 1055 CONECT 1051 1050 1052 1054 CONECT 1052 1047 1051 1053 CONECT 1053 1052 CONECT 1054 1051 CONECT 1055 1050 CONECT 1056 1049 1057 1063 1064 CONECT 1057 1056 1058 1061 1062 CONECT 1058 1057 1059 1060 CONECT 1059 1058 CONECT 1060 1058 CONECT 1061 1057 CONECT 1062 1057 CONECT 1063 1056 CONECT 1064 1056 CONECT 1065 1046 1066 1068 CONECT 1066 1043 1065 1067 CONECT 1067 1066 CONECT 1068 1065 CONECT 1069 1045 CONECT 1070 1043 MASTER 0 0 0 0 0 0 0 0 1069 1 43 8 END
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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
5kh7
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Histone deacetylase 6
Ligand Name
6T7
EC.Number
E.C.3.5.1.98
Resolution
1.7(Å)
Affinity (Kd/Ki/IC50)
Kd=220uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) J. Med. Chem. Vol. 60: pp. 9090-9096
Ligand Properties
Formula
C
1
2
H
1
1
N
3
O
3
Molecular Weight
245.234
Exact Mass
245.080
No. of atoms
29
No. of bonds
30
Polar Surface Area
85.08
LOGP Value
1.31 (
Computed with XLOGP3
)
0.78 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 2
Canonical SMILES
OC(=O)CCn1nc(ccc1=O)c1cccnc1
InChI String
InChI=1S/C12H11N3O3/c16-11-4-3-10(9-2-1-6-13-8-9)14-15(11)7-5-12(17)18/h1-4,6,8H,5,7H2,(H,17,18)
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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