Browse entries in the PDBbind-CN Database
HEADER 4QC1_COMPLEX COMPND 4QC1_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 106 SER MET ASP SER LYS ASP LEU ALA LEU CYS SER MET ILE SEQRES 2 A 106 LEU THR GLU MET GLU THR HIS GLU ASP ALA TRP PRO PHE SEQRES 3 A 106 LEU LEU PRO VAL ASN LEU LYS LEU VAL PRO GLY TYR LYS SEQRES 4 A 106 LYS VAL ILE LYS LYS PRO MET ASP PHE SER THR ILE ARG SEQRES 5 A 106 GLU LYS LEU SER SER GLY GLN TYR PRO ASN LEU GLU THR SEQRES 6 A 106 PHE ALA LEU ASP VAL ARG LEU VAL PHE ASP ASN CYS GLU SEQRES 7 A 106 THR PHE ASN GLU ASP ASP SER ASP ILE GLY ARG ALA GLY SEQRES 8 A 106 HIS ASN MET ARG LYS TYR PHE GLU LYS LYS TRP THR ASP SEQRES 9 A 106 THR PHE HET ZN A 1 1 HET ZN A 2 1 HET GLY A 154 130 ATOM 1 N SER A2060 -7.581 0.226 14.880 1.00 73.01 N ATOM 2 CA SER A2060 -7.690 -1.090 15.590 1.00 70.11 C ATOM 3 C SER A2060 -6.404 -1.965 15.474 1.00 63.90 C ATOM 4 O SER A2060 -6.436 -3.176 15.693 1.00 62.57 O ATOM 5 CB SER A2060 -8.919 -1.848 15.088 1.00 66.63 C ATOM 6 OG SER A2060 -9.099 -3.042 15.811 1.00 60.81 O ATOM 7 HG SER A2060 -8.301 -3.617 15.700 1.00 0.00 H ATOM 8 HN3 SER A2060 -7.406 0.059 13.868 1.00 0.00 H ATOM 9 HN2 SER A2060 -6.793 0.772 15.284 1.00 0.00 H ATOM 10 HN1 SER A2060 -8.468 0.756 14.997 1.00 0.00 H ATOM 11 N MET A2061 -5.286 -1.353 15.095 1.00 64.66 N ATOM 12 CA MET A2061 -3.968 -1.888 15.424 1.00 55.38 C ATOM 13 C MET A2061 -3.758 -1.609 16.904 1.00 48.71 C ATOM 14 O MET A2061 -3.933 -0.481 17.342 1.00 45.49 O ATOM 15 CB MET A2061 -2.873 -1.160 14.642 1.00 57.87 C ATOM 16 CG MET A2061 -2.303 -1.901 13.464 1.00 58.89 C ATOM 17 SD MET A2061 -0.774 -1.058 12.970 1.00 63.43 S ATOM 18 CE MET A2061 -1.401 0.425 12.198 1.00 63.24 C ATOM 19 H MET A2061 -5.352 -0.470 14.550 1.00 0.00 H ATOM 20 N ASP A2062 -3.372 -2.617 17.674 1.00 45.94 N ATOM 21 CA ASP A2062 -2.946 -2.390 19.046 1.00 44.64 C ATOM 22 C ASP A2062 -1.660 -1.512 19.158 1.00 44.42 C ATOM 23 O ASP A2062 -0.889 -1.320 18.205 1.00 41.39 O ATOM 24 CB ASP A2062 -2.815 -3.730 19.814 1.00 45.83 C ATOM 25 CG ASP A2062 -1.613 -4.574 19.392 1.00 47.11 C ATOM 26 OD1 ASP A2062 -0.704 -4.129 18.646 1.00 51.65 O ATOM 27 OD2 ASP A2062 -1.547 -5.721 19.853 1.00 52.05 O ATOM 28 H ASP A2062 -3.374 -3.584 17.291 1.00 0.00 H ATOM 29 N SER A2063 -1.484 -0.972 20.354 1.00 40.79 N ATOM 30 CA SER A2063 -0.337 -0.186 20.786 1.00 41.96 C ATOM 31 C SER A2063 1.058 -0.653 20.242 1.00 38.84 C ATOM 32 O SER A2063 1.912 0.163 19.846 1.00 36.50 O ATOM 33 CB SER A2063 -0.343 -0.231 22.335 1.00 43.93 C ATOM 34 OG SER A2063 0.084 0.978 22.930 1.00 56.67 O ATOM 35 HG SER A2063 0.058 0.887 23.915 1.00 0.00 H ATOM 36 H SER A2063 -2.239 -1.124 21.053 1.00 0.00 H ATOM 37 N LYS A2064 1.268 -1.966 20.257 1.00 36.49 N ATOM 38 CA LYS A2064 2.563 -2.564 19.911 1.00 42.55 C ATOM 39 C LYS A2064 2.792 -2.544 18.383 1.00 38.56 C ATOM 40 O LYS A2064 3.894 -2.272 17.897 1.00 36.88 O ATOM 41 CB LYS A2064 2.665 -4.013 20.440 1.00 41.47 C ATOM 42 CG LYS A2064 3.869 -4.737 19.906 1.00 45.63 C ATOM 43 CD LYS A2064 4.217 -6.013 20.670 1.00 49.90 C ATOM 44 CE LYS A2064 4.830 -7.007 19.704 1.00 54.20 C ATOM 45 NZ LYS A2064 5.549 -8.133 20.357 1.00 59.26 N ATOM 46 HZ1 LYS A2064 6.324 -7.757 20.939 1.00 0.00 H ATOM 47 HZ2 LYS A2064 4.887 -8.663 20.959 1.00 0.00 H ATOM 48 HZ3 LYS A2064 5.937 -8.765 19.627 1.00 0.00 H ATOM 49 H LYS A2064 0.483 -2.594 20.525 1.00 0.00 H ATOM 50 N ASP A2065 1.731 -2.813 17.653 1.00 38.82 N ATOM 51 CA ASP A2065 1.788 -2.794 16.189 1.00 37.24 C ATOM 52 C ASP A2065 1.923 -1.358 15.687 1.00 33.40 C ATOM 53 O ASP A2065 2.735 -1.046 14.794 1.00 27.56 O ATOM 54 CB ASP A2065 0.527 -3.433 15.639 1.00 41.61 C ATOM 55 CG ASP A2065 0.535 -4.972 15.758 1.00 47.46 C ATOM 56 OD1 ASP A2065 1.553 -5.585 16.163 1.00 48.51 O ATOM 57 OD2 ASP A2065 -0.501 -5.576 15.401 1.00 53.45 O ATOM 58 H ASP A2065 0.833 -3.044 18.125 1.00 0.00 H ATOM 59 N LEU A2066 1.118 -0.483 16.276 1.00 31.06 N ATOM 60 CA LEU A2066 1.211 0.924 15.959 1.00 33.86 C ATOM 61 C LEU A2066 2.638 1.424 16.152 1.00 31.71 C ATOM 62 O LEU A2066 3.189 2.115 15.322 1.00 31.95 O ATOM 63 CB LEU A2066 0.254 1.680 16.863 1.00 39.62 C ATOM 64 CG LEU A2066 0.276 3.185 16.711 1.00 44.72 C ATOM 65 CD1 LEU A2066 0.225 3.597 15.240 1.00 47.89 C ATOM 66 CD2 LEU A2066 -0.937 3.728 17.460 1.00 49.89 C ATOM 67 H LEU A2066 0.416 -0.811 16.970 1.00 0.00 H ATOM 68 N ALA A2067 3.219 1.077 17.295 1.00 31.72 N ATOM 69 CA ALA A2067 4.593 1.393 17.617 1.00 29.38 C ATOM 70 C ALA A2067 5.652 0.886 16.658 1.00 28.27 C ATOM 71 O ALA A2067 6.579 1.608 16.287 1.00 27.41 O ATOM 72 CB ALA A2067 4.881 0.974 19.057 1.00 31.38 C ATOM 73 H ALA A2067 2.657 0.551 17.994 1.00 0.00 H ATOM 74 N LEU A2068 5.513 -0.347 16.211 1.00 28.89 N ATOM 75 CA LEU A2068 6.454 -0.935 15.297 1.00 27.19 C ATOM 76 C LEU A2068 6.287 -0.402 13.927 1.00 25.54 C ATOM 77 O LEU A2068 7.277 -0.168 13.289 1.00 28.05 O ATOM 78 CB LEU A2068 6.383 -2.468 15.342 1.00 27.04 C ATOM 79 CG LEU A2068 6.854 -2.963 16.737 1.00 28.50 C ATOM 80 CD1 LEU A2068 6.627 -4.440 16.935 1.00 31.15 C ATOM 81 CD2 LEU A2068 8.323 -2.659 16.969 1.00 27.85 C ATOM 82 H LEU A2068 4.699 -0.910 16.529 1.00 0.00 H ATOM 83 N CYS A2069 5.072 -0.198 13.443 1.00 28.31 N ATOM 84 CA CYS A2069 4.913 0.436 12.119 1.00 29.77 C ATOM 85 C CYS A2069 5.454 1.870 12.142 1.00 28.94 C ATOM 86 O CYS A2069 6.043 2.356 11.157 1.00 25.60 O ATOM 87 CB CYS A2069 3.426 0.509 11.679 1.00 30.75 C ATOM 88 SG CYS A2069 2.735 -1.101 11.333 1.00 33.60 S ATOM 89 H CYS A2069 4.235 -0.482 13.991 1.00 0.00 H ATOM 90 N SER A2070 5.205 2.566 13.247 1.00 28.19 N ATOM 91 CA SER A2070 5.695 3.955 13.353 1.00 28.66 C ATOM 92 C SER A2070 7.215 3.997 13.319 1.00 27.47 C ATOM 93 O SER A2070 7.791 4.918 12.766 1.00 28.70 O ATOM 94 CB SER A2070 5.165 4.607 14.619 1.00 31.92 C ATOM 95 OG SER A2070 5.701 5.915 14.750 1.00 33.58 O ATOM 96 HG SER A2070 6.688 5.862 14.798 1.00 0.00 H ATOM 97 H SER A2070 4.670 2.137 14.029 1.00 0.00 H ATOM 98 N MET A2071 7.862 3.009 13.924 1.00 28.38 N ATOM 99 CA MET A2071 9.334 2.953 13.920 1.00 30.63 C ATOM 100 C MET A2071 9.863 2.653 12.504 1.00 29.02 C ATOM 101 O MET A2071 10.871 3.211 12.063 1.00 30.82 O ATOM 102 CB MET A2071 9.883 1.915 14.907 1.00 34.89 C ATOM 103 CG MET A2071 11.256 1.309 14.513 1.00 41.66 C ATOM 104 SD MET A2071 11.504 -0.439 14.941 1.00 63.44 S ATOM 105 CE MET A2071 11.099 -1.319 13.442 1.00 55.73 C ATOM 106 H MET A2071 7.322 2.263 14.408 1.00 0.00 H ATOM 107 N ILE A2072 9.228 1.726 11.811 1.00 31.12 N ATOM 108 CA ILE A2072 9.645 1.417 10.435 1.00 29.27 C ATOM 109 C ILE A2072 9.475 2.648 9.570 1.00 28.18 C ATOM 110 O ILE A2072 10.389 2.972 8.786 1.00 28.19 O ATOM 111 CB ILE A2072 8.910 0.223 9.835 1.00 30.32 C ATOM 112 CG1 ILE A2072 9.273 -1.045 10.606 1.00 32.01 C ATOM 113 CG2 ILE A2072 9.234 0.104 8.344 1.00 31.76 C ATOM 114 CD1 ILE A2072 8.318 -2.202 10.348 1.00 33.10 C ATOM 115 H ILE A2072 8.431 1.213 12.239 1.00 0.00 H ATOM 116 N LEU A2073 8.355 3.361 9.712 1.00 24.65 N ATOM 117 CA LEU A2073 8.190 4.569 8.949 1.00 27.70 C ATOM 118 C LEU A2073 9.289 5.632 9.243 1.00 28.76 C ATOM 119 O LEU A2073 9.819 6.237 8.320 1.00 27.48 O ATOM 120 CB LEU A2073 6.795 5.123 9.142 1.00 30.86 C ATOM 121 CG LEU A2073 6.356 6.307 8.312 1.00 33.52 C ATOM 122 CD1 LEU A2073 6.529 5.984 6.815 1.00 34.32 C ATOM 123 CD2 LEU A2073 4.923 6.621 8.707 1.00 32.13 C ATOM 124 H LEU A2073 7.611 3.047 10.367 1.00 0.00 H ATOM 125 N THR A2074 9.643 5.830 10.516 1.00 27.85 N ATOM 126 CA THR A2074 10.744 6.746 10.873 1.00 28.46 C ATOM 127 C THR A2074 12.108 6.321 10.340 1.00 28.20 C ATOM 128 O THR A2074 12.883 7.126 9.821 1.00 30.07 O ATOM 129 CB THR A2074 10.814 6.891 12.403 1.00 27.05 C ATOM 130 OG1 THR A2074 9.619 7.449 12.813 1.00 25.08 O ATOM 131 CG2 THR A2074 11.958 7.821 12.821 1.00 29.29 C ATOM 132 HG1 THR A2074 8.872 6.854 12.552 1.00 0.00 H ATOM 133 H THR A2074 9.132 5.329 11.271 1.00 0.00 H ATOM 134 N GLU A2075 12.370 5.018 10.400 1.00 29.31 N ATOM 135 CA GLU A2075 13.593 4.449 9.830 1.00 30.99 C ATOM 136 C GLU A2075 13.643 4.719 8.320 1.00 29.52 C ATOM 137 O GLU A2075 14.672 5.136 7.766 1.00 29.79 O ATOM 138 CB GLU A2075 13.564 2.969 10.091 1.00 35.70 C ATOM 139 CG GLU A2075 13.673 2.644 11.570 1.00 41.37 C ATOM 140 CD GLU A2075 15.100 2.358 11.957 1.00 51.23 C ATOM 141 OE1 GLU A2075 15.409 1.174 12.253 1.00 56.57 O ATOM 142 OE2 GLU A2075 15.913 3.317 11.914 1.00 60.16 O ATOM 143 H GLU A2075 11.687 4.386 10.865 1.00 0.00 H ATOM 144 N MET A2076 12.513 4.545 7.644 1.00 27.78 N ATOM 145 CA MET A2076 12.468 4.754 6.181 1.00 29.04 C ATOM 146 C MET A2076 12.647 6.216 5.878 1.00 30.86 C ATOM 147 O MET A2076 13.464 6.563 5.001 1.00 31.50 O ATOM 148 CB MET A2076 11.178 4.216 5.561 1.00 29.16 C ATOM 149 CG MET A2076 11.142 2.684 5.529 1.00 31.59 C ATOM 150 SD MET A2076 9.832 2.091 4.444 1.00 32.90 S ATOM 151 CE MET A2076 8.389 2.969 5.089 1.00 33.52 C ATOM 152 H MET A2076 11.650 4.259 8.149 1.00 0.00 H ATOM 153 N GLU A2077 11.958 7.062 6.645 1.00 29.86 N ATOM 154 CA GLU A2077 12.136 8.519 6.531 1.00 32.76 C ATOM 155 C GLU A2077 13.578 9.014 6.688 1.00 32.71 C ATOM 156 O GLU A2077 13.966 9.925 6.000 1.00 31.84 O ATOM 157 CB GLU A2077 11.218 9.272 7.485 1.00 33.15 C ATOM 158 CG GLU A2077 9.815 9.344 6.934 1.00 35.36 C ATOM 159 CD GLU A2077 8.781 9.768 7.948 1.00 40.10 C ATOM 160 OE1 GLU A2077 9.024 9.672 9.185 1.00 39.54 O ATOM 161 OE2 GLU A2077 7.674 10.130 7.476 1.00 44.23 O ATOM 162 H GLU A2077 11.281 6.685 7.338 1.00 0.00 H ATOM 163 N THR A2078 14.347 8.355 7.536 1.00 32.98 N ATOM 164 CA THR A2078 15.759 8.667 7.773 1.00 36.37 C ATOM 165 C THR A2078 16.753 8.183 6.721 1.00 36.84 C ATOM 166 O THR A2078 17.870 8.708 6.660 1.00 38.61 O ATOM 167 CB THR A2078 16.202 8.012 9.091 1.00 34.34 C ATOM 168 OG1 THR A2078 15.246 8.329 10.052 1.00 33.55 O ATOM 169 CG2 THR A2078 17.594 8.521 9.561 1.00 39.54 C ATOM 170 HG1 THR A2078 14.365 7.978 9.768 1.00 0.00 H ATOM 171 H THR A2078 13.925 7.567 8.068 1.00 0.00 H ATOM 172 N HIS A2079 16.369 7.153 5.969 1.00 33.27 N ATOM 173 CA HIS A2079 17.249 6.447 5.025 1.00 34.51 C ATOM 174 C HIS A2079 17.712 7.409 3.914 1.00 35.56 C ATOM 175 O HIS A2079 16.960 8.247 3.420 1.00 33.43 O ATOM 176 CB HIS A2079 16.474 5.245 4.410 1.00 34.30 C ATOM 177 CG HIS A2079 17.314 4.294 3.599 1.00 33.27 C ATOM 178 ND1 HIS A2079 17.543 2.992 3.986 1.00 36.18 N ATOM 179 CD2 HIS A2079 17.944 4.436 2.412 1.00 34.14 C ATOM 180 CE1 HIS A2079 18.298 2.379 3.092 1.00 33.23 C ATOM 181 NE2 HIS A2079 18.558 3.238 2.123 1.00 37.90 N ATOM 182 H HIS A2079 15.385 6.827 6.055 1.00 0.00 H ATOM 183 N GLU A2080 18.958 7.280 3.504 1.00 35.22 N ATOM 184 CA GLU A2080 19.458 8.170 2.489 1.00 37.32 C ATOM 185 C GLU A2080 18.687 8.124 1.135 1.00 34.76 C ATOM 186 O GLU A2080 18.729 9.095 0.409 1.00 33.27 O ATOM 187 CB GLU A2080 20.960 7.946 2.276 1.00 40.77 C ATOM 188 CG GLU A2080 21.365 6.626 1.602 1.00 43.60 C ATOM 189 CD GLU A2080 22.900 6.485 1.458 1.00 44.86 C ATOM 190 OE1 GLU A2080 23.666 7.186 2.103 1.00 52.10 O ATOM 191 OE2 GLU A2080 23.379 5.659 0.685 1.00 51.06 O ATOM 192 H GLU A2080 19.572 6.545 3.909 1.00 0.00 H ATOM 193 N ASP A2081 17.982 7.031 0.827 1.00 32.00 N ATOM 194 CA ASP A2081 17.296 6.833 -0.478 1.00 31.85 C ATOM 195 C ASP A2081 15.843 7.218 -0.346 1.00 31.67 C ATOM 196 O ASP A2081 15.073 6.967 -1.273 1.00 27.17 O ATOM 197 CB ASP A2081 17.340 5.344 -0.942 1.00 32.97 C ATOM 198 CG ASP A2081 18.767 4.855 -1.220 1.00 35.89 C ATOM 199 OD1 ASP A2081 19.516 5.594 -1.855 1.00 31.40 O ATOM 200 OD2 ASP A2081 19.136 3.752 -0.764 1.00 40.27 O ATOM 201 H ASP A2081 17.909 6.277 1.539 1.00 0.00 H ATOM 202 N ALA A2082 15.465 7.821 0.799 1.00 31.96 N ATOM 203 CA ALA A2082 14.093 8.224 1.062 1.00 30.64 C ATOM 204 C ALA A2082 13.663 9.532 0.402 1.00 31.85 C ATOM 205 O ALA A2082 12.457 9.820 0.335 1.00 30.85 O ATOM 206 CB ALA A2082 13.880 8.340 2.545 1.00 33.77 C ATOM 207 H ALA A2082 16.186 8.006 1.525 1.00 0.00 H ATOM 208 N TRP A2083 14.615 10.321 -0.092 1.00 31.35 N ATOM 209 CA TRP A2083 14.310 11.675 -0.612 1.00 31.88 C ATOM 210 C TRP A2083 13.144 11.793 -1.622 1.00 31.57 C ATOM 211 O TRP A2083 12.395 12.773 -1.601 1.00 36.40 O ATOM 212 CB TRP A2083 15.568 12.340 -1.195 1.00 32.90 C ATOM 213 CG TRP A2083 16.235 11.549 -2.275 1.00 34.64 C ATOM 214 CD1 TRP A2083 17.190 10.574 -2.120 1.00 33.61 C ATOM 215 CD2 TRP A2083 15.987 11.642 -3.695 1.00 36.01 C ATOM 216 NE1 TRP A2083 17.538 10.058 -3.351 1.00 34.21 N ATOM 217 CE2 TRP A2083 16.842 10.700 -4.332 1.00 32.53 C ATOM 218 CE3 TRP A2083 15.127 12.423 -4.485 1.00 34.59 C ATOM 219 CZ2 TRP A2083 16.844 10.503 -5.698 1.00 34.38 C ATOM 220 CZ3 TRP A2083 15.139 12.235 -5.862 1.00 33.85 C ATOM 221 CH2 TRP A2083 16.008 11.294 -6.455 1.00 35.25 C ATOM 222 HE1 TRP A2083 18.227 9.295 -3.507 1.00 0.00 H ATOM 223 H TRP A2083 15.597 9.979 -0.114 1.00 0.00 H ATOM 224 N PRO A2084 12.928 10.800 -2.489 1.00 30.68 N ATOM 225 CA PRO A2084 11.757 11.034 -3.391 1.00 29.34 C ATOM 226 C PRO A2084 10.389 10.850 -2.729 1.00 30.14 C ATOM 227 O PRO A2084 9.372 11.167 -3.368 1.00 30.76 O ATOM 228 CB PRO A2084 11.925 9.967 -4.467 1.00 28.83 C ATOM 229 CG PRO A2084 13.301 9.349 -4.233 1.00 29.63 C ATOM 230 CD PRO A2084 13.559 9.502 -2.755 1.00 30.52 C ATOM 231 N PHE A2085 10.336 10.260 -1.524 1.00 29.50 N ATOM 232 CA PHE A2085 9.088 9.708 -0.981 1.00 28.39 C ATOM 233 C PHE A2085 8.577 10.401 0.266 1.00 31.04 C ATOM 234 O PHE A2085 7.547 10.022 0.833 1.00 29.46 O ATOM 235 CB PHE A2085 9.279 8.214 -0.655 1.00 29.45 C ATOM 236 CG PHE A2085 9.867 7.454 -1.780 1.00 27.86 C ATOM 237 CD1 PHE A2085 9.206 7.400 -2.997 1.00 28.02 C ATOM 238 CD2 PHE A2085 11.122 6.892 -1.685 1.00 28.33 C ATOM 239 CE1 PHE A2085 9.749 6.733 -4.075 1.00 25.48 C ATOM 240 CE2 PHE A2085 11.704 6.266 -2.776 1.00 26.37 C ATOM 241 CZ PHE A2085 11.000 6.185 -3.984 1.00 26.30 C ATOM 242 H PHE A2085 11.206 10.192 -0.958 1.00 0.00 H ATOM 243 N LEU A2086 9.256 11.453 0.677 1.00 32.38 N ATOM 244 CA LEU A2086 8.949 12.097 1.943 1.00 33.70 C ATOM 245 C LEU A2086 7.607 12.830 1.909 1.00 34.89 C ATOM 246 O LEU A2086 6.880 12.874 2.915 1.00 34.70 O ATOM 247 CB LEU A2086 10.063 13.096 2.266 1.00 36.06 C ATOM 248 CG LEU A2086 11.452 12.484 2.479 1.00 37.72 C ATOM 249 CD1 LEU A2086 12.408 13.609 2.905 1.00 39.40 C ATOM 250 CD2 LEU A2086 11.416 11.355 3.514 1.00 37.70 C ATOM 251 H LEU A2086 10.024 11.829 0.085 1.00 0.00 H ATOM 252 N LEU A2087 7.277 13.417 0.754 1.00 33.73 N ATOM 253 CA LEU A2087 6.090 14.265 0.632 1.00 35.17 C ATOM 254 C LEU A2087 5.312 13.913 -0.638 1.00 36.54 C ATOM 255 O LEU A2087 5.864 13.278 -1.535 1.00 34.21 O ATOM 256 CB LEU A2087 6.498 15.741 0.574 1.00 38.15 C ATOM 257 CG LEU A2087 7.093 16.296 1.873 1.00 39.36 C ATOM 258 CD1 LEU A2087 7.751 17.643 1.636 1.00 40.22 C ATOM 259 CD2 LEU A2087 6.046 16.388 2.977 1.00 40.20 C ATOM 260 H LEU A2087 7.880 13.267 -0.080 1.00 0.00 H ATOM 261 N PRO A2088 4.044 14.325 -0.724 1.00 38.04 N ATOM 262 CA PRO A2088 3.304 13.909 -1.906 1.00 37.87 C ATOM 263 C PRO A2088 3.913 14.417 -3.190 1.00 38.65 C ATOM 264 O PRO A2088 4.460 15.509 -3.186 1.00 33.65 O ATOM 265 CB PRO A2088 1.922 14.530 -1.681 1.00 39.02 C ATOM 266 CG PRO A2088 1.760 14.514 -0.204 1.00 40.24 C ATOM 267 CD PRO A2088 3.141 14.804 0.346 1.00 40.32 C ATOM 268 N VAL A2089 3.834 13.646 -4.283 1.00 34.75 N ATOM 269 CA VAL A2089 4.255 14.188 -5.566 1.00 37.05 C ATOM 270 C VAL A2089 3.348 15.399 -5.853 1.00 38.77 C ATOM 271 O VAL A2089 2.131 15.355 -5.622 1.00 39.83 O ATOM 272 CB VAL A2089 4.183 13.157 -6.723 1.00 36.35 C ATOM 273 CG1 VAL A2089 4.513 13.808 -8.074 1.00 38.01 C ATOM 274 CG2 VAL A2089 5.154 12.024 -6.464 1.00 36.28 C ATOM 275 H VAL A2089 3.476 12.672 -4.215 1.00 0.00 H ATOM 276 N ASN A2090 3.933 16.475 -6.350 1.00 39.38 N ATOM 277 CA ASN A2090 3.146 17.653 -6.644 1.00 42.03 C ATOM 278 C ASN A2090 2.518 17.538 -7.992 1.00 39.60 C ATOM 279 O ASN A2090 3.178 17.717 -9.004 1.00 37.82 O ATOM 280 CB ASN A2090 3.963 18.915 -6.565 1.00 44.90 C ATOM 281 CG ASN A2090 3.090 20.152 -6.654 1.00 47.83 C ATOM 282 OD1 ASN A2090 2.126 20.205 -7.429 1.00 47.52 O ATOM 283 ND2 ASN A2090 3.424 21.148 -5.866 1.00 46.63 N ATOM 284 HD22 ASN A2090 4.243 21.057 -5.231 1.00 0.00 H ATOM 285 HD21 ASN A2090 2.870 22.028 -5.877 1.00 0.00 H ATOM 286 H ASN A2090 4.957 16.475 -6.529 1.00 0.00 H ATOM 287 N LEU A2091 1.216 17.254 -7.993 1.00 42.03 N ATOM 288 CA LEU A2091 0.505 16.891 -9.228 1.00 46.89 C ATOM 289 C LEU A2091 0.564 17.991 -10.265 1.00 48.63 C ATOM 290 O LEU A2091 0.566 17.709 -11.459 1.00 46.59 O ATOM 291 CB LEU A2091 -0.954 16.478 -8.932 1.00 50.35 C ATOM 292 CG LEU A2091 -1.183 15.006 -8.511 1.00 52.82 C ATOM 293 CD1 LEU A2091 -0.040 14.410 -7.707 1.00 54.72 C ATOM 294 CD2 LEU A2091 -2.494 14.782 -7.755 1.00 53.56 C ATOM 295 H LEU A2091 0.689 17.290 -7.097 1.00 0.00 H ATOM 296 N LYS A2092 0.668 19.246 -9.818 1.00 53.62 N ATOM 297 CA LYS A2092 0.758 20.369 -10.762 1.00 55.89 C ATOM 298 C LYS A2092 2.123 20.485 -11.470 1.00 55.77 C ATOM 299 O LYS A2092 2.158 20.818 -12.646 1.00 58.75 O ATOM 300 CB LYS A2092 0.329 21.701 -10.099 1.00 61.93 C ATOM 301 CG LYS A2092 -1.175 21.814 -9.857 1.00 63.02 C ATOM 302 CD LYS A2092 -1.942 21.576 -11.152 1.00 66.79 C ATOM 303 CE LYS A2092 -3.272 22.304 -11.187 1.00 70.77 C ATOM 304 NZ LYS A2092 -4.187 21.806 -10.136 1.00 73.05 N ATOM 305 HZ1 LYS A2092 -4.361 20.791 -10.282 1.00 0.00 H ATOM 306 HZ2 LYS A2092 -3.753 21.954 -9.202 1.00 0.00 H ATOM 307 HZ3 LYS A2092 -5.087 22.325 -10.188 1.00 0.00 H ATOM 308 H LYS A2092 0.685 19.430 -8.794 1.00 0.00 H ATOM 309 N LEU A2093 3.237 20.201 -10.814 1.00 53.29 N ATOM 310 CA LEU A2093 4.507 20.353 -11.519 1.00 58.67 C ATOM 311 C LEU A2093 5.049 19.038 -12.118 1.00 61.05 C ATOM 312 O LEU A2093 6.113 19.008 -12.758 1.00 63.12 O ATOM 313 CB LEU A2093 5.525 21.082 -10.643 1.00 64.56 C ATOM 314 CG LEU A2093 5.938 20.423 -9.341 1.00 65.64 C ATOM 315 CD1 LEU A2093 7.390 19.951 -9.427 1.00 69.67 C ATOM 316 CD2 LEU A2093 5.740 21.386 -8.175 1.00 65.43 C ATOM 317 H LEU A2093 3.209 19.879 -9.825 1.00 0.00 H ATOM 318 N VAL A2094 4.311 17.949 -11.933 1.00 56.33 N ATOM 319 CA VAL A2094 4.624 16.710 -12.629 1.00 52.14 C ATOM 320 C VAL A2094 3.383 16.405 -13.450 1.00 56.49 C ATOM 321 O VAL A2094 2.626 15.453 -13.160 1.00 48.52 O ATOM 322 CB VAL A2094 4.969 15.564 -11.664 1.00 45.78 C ATOM 323 CG1 VAL A2094 5.457 14.339 -12.433 1.00 44.95 C ATOM 324 CG2 VAL A2094 6.005 16.018 -10.658 1.00 44.72 C ATOM 325 H VAL A2094 3.500 17.982 -11.283 1.00 0.00 H ATOM 326 N PRO A2095 3.143 17.243 -14.469 1.00 65.30 N ATOM 327 CA PRO A2095 1.986 16.965 -15.276 1.00 65.22 C ATOM 328 C PRO A2095 2.239 15.612 -15.914 1.00 58.91 C ATOM 329 O PRO A2095 3.390 15.289 -16.251 1.00 62.99 O ATOM 330 CB PRO A2095 2.002 18.093 -16.313 1.00 70.42 C ATOM 331 CG PRO A2095 3.458 18.379 -16.496 1.00 71.94 C ATOM 332 CD PRO A2095 4.042 18.220 -15.115 1.00 70.52 C ATOM 333 N GLY A2096 1.182 14.823 -16.029 1.00 51.54 N ATOM 334 CA GLY A2096 1.288 13.458 -16.494 1.00 45.79 C ATOM 335 C GLY A2096 1.283 12.471 -15.349 1.00 41.95 C ATOM 336 O GLY A2096 1.004 11.282 -15.571 1.00 41.60 O ATOM 337 H GLY A2096 0.245 15.197 -15.777 1.00 0.00 H ATOM 338 N TYR A2097 1.580 12.917 -14.120 1.00 38.37 N ATOM 339 CA TYR A2097 1.736 11.942 -13.036 1.00 35.51 C ATOM 340 C TYR A2097 0.418 11.214 -12.828 1.00 37.48 C ATOM 341 O TYR A2097 0.347 9.971 -12.853 1.00 33.29 O ATOM 342 CB TYR A2097 2.220 12.575 -11.727 1.00 35.58 C ATOM 343 CG TYR A2097 2.588 11.544 -10.671 1.00 31.74 C ATOM 344 CD1 TYR A2097 3.812 10.887 -10.705 1.00 32.14 C ATOM 345 CD2 TYR A2097 1.707 11.214 -9.666 1.00 32.21 C ATOM 346 CE1 TYR A2097 4.152 9.947 -9.740 1.00 31.03 C ATOM 347 CE2 TYR A2097 2.041 10.275 -8.682 1.00 32.57 C ATOM 348 CZ TYR A2097 3.257 9.643 -8.738 1.00 30.59 C ATOM 349 OH TYR A2097 3.557 8.715 -7.780 1.00 32.33 O ATOM 350 HH TYR A2097 4.460 8.347 -7.950 1.00 0.00 H ATOM 351 H TYR A2097 1.697 13.934 -13.939 1.00 0.00 H ATOM 352 N LYS A2098 -0.643 11.994 -12.688 1.00 39.01 N ATOM 353 CA LYS A2098 -1.900 11.460 -12.237 1.00 45.55 C ATOM 354 C LYS A2098 -2.577 10.608 -13.283 1.00 45.57 C ATOM 355 O LYS A2098 -3.361 9.756 -12.917 1.00 46.65 O ATOM 356 CB LYS A2098 -2.826 12.579 -11.718 1.00 48.09 C ATOM 357 CG LYS A2098 -4.034 12.076 -10.917 1.00 53.72 C ATOM 358 CD LYS A2098 -3.655 11.298 -9.647 1.00 53.15 C ATOM 359 CE LYS A2098 -4.861 10.669 -8.947 1.00 56.93 C ATOM 360 NZ LYS A2098 -5.396 9.429 -9.605 1.00 55.63 N ATOM 361 HZ1 LYS A2098 -5.696 9.655 -10.575 1.00 0.00 H ATOM 362 HZ2 LYS A2098 -4.652 8.703 -9.631 1.00 0.00 H ATOM 363 HZ3 LYS A2098 -6.210 9.074 -9.063 1.00 0.00 H ATOM 364 H LYS A2098 -0.566 13.008 -12.907 1.00 0.00 H ATOM 365 N LYS A2099 -2.254 10.795 -14.569 1.00 47.43 N ATOM 366 CA LYS A2099 -2.813 9.938 -15.605 1.00 49.02 C ATOM 367 C LYS A2099 -2.157 8.571 -15.657 1.00 47.65 C ATOM 368 O LYS A2099 -2.738 7.647 -16.216 1.00 47.93 O ATOM 369 CB LYS A2099 -2.839 10.597 -17.009 1.00 55.07 C ATOM 370 CG LYS A2099 -1.533 11.025 -17.666 1.00 60.66 C ATOM 371 CD LYS A2099 -1.830 12.081 -18.752 1.00 73.65 C ATOM 372 CE LYS A2099 -0.708 12.297 -19.777 1.00 76.74 C ATOM 373 NZ LYS A2099 -0.509 11.147 -20.717 1.00 79.45 N ATOM 374 HZ1 LYS A2099 -0.268 10.294 -20.173 1.00 0.00 H ATOM 375 HZ2 LYS A2099 -1.386 10.982 -21.252 1.00 0.00 H ATOM 376 HZ3 LYS A2099 0.264 11.369 -21.376 1.00 0.00 H ATOM 377 H LYS A2099 -1.598 11.559 -14.830 1.00 0.00 H ATOM 378 N VAL A2100 -0.960 8.440 -15.090 1.00 39.85 N ATOM 379 CA VAL A2100 -0.281 7.159 -15.022 1.00 37.07 C ATOM 380 C VAL A2100 -0.602 6.489 -13.656 1.00 37.34 C ATOM 381 O VAL A2100 -0.749 5.267 -13.572 1.00 35.39 O ATOM 382 CB VAL A2100 1.259 7.361 -15.176 1.00 38.74 C ATOM 383 CG1 VAL A2100 2.014 6.115 -14.771 1.00 37.65 C ATOM 384 CG2 VAL A2100 1.655 7.775 -16.603 1.00 42.32 C ATOM 385 H VAL A2100 -0.498 9.279 -14.684 1.00 0.00 H ATOM 386 N ILE A2101 -0.658 7.290 -12.583 1.00 33.19 N ATOM 387 CA ILE A2101 -0.765 6.785 -11.209 1.00 33.01 C ATOM 388 C ILE A2101 -2.159 6.971 -10.620 1.00 33.10 C ATOM 389 O ILE A2101 -2.578 8.089 -10.368 1.00 37.69 O ATOM 390 CB ILE A2101 0.267 7.477 -10.300 1.00 32.11 C ATOM 391 CG1 ILE A2101 1.658 7.366 -10.901 1.00 30.57 C ATOM 392 CG2 ILE A2101 0.235 6.873 -8.903 1.00 32.96 C ATOM 393 CD1 ILE A2101 2.135 5.913 -11.005 1.00 30.50 C ATOM 394 H ILE A2101 -0.624 8.319 -12.731 1.00 0.00 H ATOM 395 N LYS A2102 -2.871 5.871 -10.410 1.00 32.38 N ATOM 396 CA LYS A2102 -4.274 5.897 -9.901 1.00 37.37 C ATOM 397 C LYS A2102 -4.394 6.370 -8.479 1.00 34.95 C ATOM 398 O LYS A2102 -5.367 7.040 -8.146 1.00 31.47 O ATOM 399 CB LYS A2102 -4.865 4.489 -9.910 1.00 42.16 C ATOM 400 CG LYS A2102 -5.261 4.002 -11.304 1.00 45.87 C ATOM 401 CD LYS A2102 -4.603 2.684 -11.637 1.00 52.40 C ATOM 402 CE LYS A2102 -4.918 1.591 -10.629 1.00 55.21 C ATOM 403 NZ LYS A2102 -6.047 0.815 -11.168 1.00 59.46 N ATOM 404 HZ1 LYS A2102 -6.867 1.442 -11.297 1.00 0.00 H ATOM 405 HZ2 LYS A2102 -5.777 0.403 -12.084 1.00 0.00 H ATOM 406 HZ3 LYS A2102 -6.292 0.054 -10.503 1.00 0.00 H ATOM 407 H LYS A2102 -2.432 4.950 -10.609 1.00 0.00 H ATOM 408 N LYS A2103 -3.463 5.939 -7.627 1.00 30.52 N ATOM 409 CA LYS A2103 -3.454 6.340 -6.217 1.00 31.02 C ATOM 410 C LYS A2103 -2.065 6.749 -5.733 1.00 31.01 C ATOM 411 O LYS A2103 -1.254 5.891 -5.311 1.00 27.15 O ATOM 412 CB LYS A2103 -3.989 5.228 -5.342 1.00 35.27 C ATOM 413 CG LYS A2103 -4.279 5.713 -3.948 1.00 42.34 C ATOM 414 CD LYS A2103 -4.897 4.637 -3.077 1.00 48.87 C ATOM 415 CE LYS A2103 -4.762 5.033 -1.633 1.00 50.97 C ATOM 416 NZ LYS A2103 -5.399 6.370 -1.410 1.00 52.52 N ATOM 417 HZ1 LYS A2103 -4.929 7.080 -2.007 1.00 0.00 H ATOM 418 HZ2 LYS A2103 -6.407 6.318 -1.659 1.00 0.00 H ATOM 419 HZ3 LYS A2103 -5.301 6.637 -0.409 1.00 0.00 H ATOM 420 H LYS A2103 -2.720 5.299 -7.974 1.00 0.00 H ATOM 421 N PRO A2104 -1.792 8.044 -5.763 1.00 30.10 N ATOM 422 CA PRO A2104 -0.550 8.524 -5.226 1.00 31.54 C ATOM 423 C PRO A2104 -0.434 8.191 -3.740 1.00 31.03 C ATOM 424 O PRO A2104 -1.440 8.073 -3.044 1.00 31.14 O ATOM 425 CB PRO A2104 -0.638 10.044 -5.453 1.00 31.45 C ATOM 426 CG PRO A2104 -1.606 10.215 -6.575 1.00 33.36 C ATOM 427 CD PRO A2104 -2.631 9.151 -6.263 1.00 34.38 C ATOM 428 N MET A2105 0.792 8.000 -3.271 1.00 28.23 N ATOM 429 CA MET A2105 1.022 7.701 -1.889 1.00 27.54 C ATOM 430 C MET A2105 2.460 8.118 -1.577 1.00 27.89 C ATOM 431 O MET A2105 3.321 7.965 -2.423 1.00 28.86 O ATOM 432 CB MET A2105 0.835 6.195 -1.642 1.00 28.57 C ATOM 433 CG MET A2105 0.910 5.803 -0.179 1.00 30.45 C ATOM 434 SD MET A2105 -0.119 6.766 0.937 1.00 33.13 S ATOM 435 CE MET A2105 -1.770 6.497 0.251 1.00 33.31 C ATOM 436 H MET A2105 1.602 8.069 -3.919 1.00 0.00 H ATOM 437 N ASP A2106 2.695 8.578 -0.341 1.00 27.93 N ATOM 438 CA ASP A2106 4.024 8.974 0.126 1.00 28.76 C ATOM 439 C ASP A2106 4.046 8.828 1.638 1.00 27.42 C ATOM 440 O ASP A2106 3.006 8.652 2.270 1.00 30.45 O ATOM 441 CB ASP A2106 4.225 10.426 -0.230 1.00 28.99 C ATOM 442 CG ASP A2106 3.405 11.281 0.641 1.00 32.25 C ATOM 443 OD1 ASP A2106 2.192 11.414 0.360 1.00 35.24 O ATOM 444 OD2 ASP A2106 3.938 11.681 1.703 1.00 33.90 O ATOM 445 H ASP A2106 1.895 8.657 0.318 1.00 0.00 H ATOM 446 N PHE A2107 5.231 8.936 2.218 1.00 29.71 N ATOM 447 CA PHE A2107 5.473 8.578 3.626 1.00 29.64 C ATOM 448 C PHE A2107 4.734 9.523 4.586 1.00 30.75 C ATOM 449 O PHE A2107 4.168 9.054 5.602 1.00 30.12 O ATOM 450 CB PHE A2107 6.986 8.604 3.986 1.00 29.80 C ATOM 451 CG PHE A2107 7.828 7.569 3.298 1.00 29.90 C ATOM 452 CD1 PHE A2107 7.290 6.449 2.725 1.00 31.12 C ATOM 453 CD2 PHE A2107 9.213 7.670 3.333 1.00 32.80 C ATOM 454 CE1 PHE A2107 8.100 5.490 2.140 1.00 33.27 C ATOM 455 CE2 PHE A2107 10.033 6.716 2.746 1.00 32.43 C ATOM 456 CZ PHE A2107 9.471 5.620 2.133 1.00 31.59 C ATOM 457 H PHE A2107 6.029 9.290 1.653 1.00 0.00 H ATOM 458 N SER A2108 4.733 10.826 4.310 1.00 31.20 N ATOM 459 CA SER A2108 3.955 11.742 5.172 1.00 34.71 C ATOM 460 C SER A2108 2.425 11.440 5.195 1.00 33.63 C ATOM 461 O SER A2108 1.810 11.553 6.237 1.00 31.81 O ATOM 462 CB SER A2108 4.198 13.221 4.846 1.00 36.50 C ATOM 463 OG SER A2108 3.609 13.580 3.605 1.00 39.17 O ATOM 464 HG SER A2108 4.003 13.029 2.883 1.00 0.00 H ATOM 465 H SER A2108 5.272 11.194 3.500 1.00 0.00 H ATOM 466 N THR A2109 1.821 11.056 4.067 1.00 33.35 N ATOM 467 CA THR A2109 0.433 10.548 4.062 1.00 31.33 C ATOM 468 C THR A2109 0.274 9.263 4.871 1.00 31.01 C ATOM 469 O THR A2109 -0.686 9.120 5.692 1.00 29.72 O ATOM 470 CB THR A2109 -0.045 10.289 2.638 1.00 33.08 C ATOM 471 OG1 THR A2109 0.045 11.517 1.916 1.00 33.45 O ATOM 472 CG2 THR A2109 -1.509 9.738 2.619 1.00 33.58 C ATOM 473 HG1 THR A2109 0.985 11.828 1.912 1.00 0.00 H ATOM 474 H THR A2109 2.341 11.116 3.168 1.00 0.00 H ATOM 475 N ILE A2110 1.232 8.347 4.709 1.00 28.72 N ATOM 476 CA ILE A2110 1.252 7.147 5.554 1.00 28.38 C ATOM 477 C ILE A2110 1.336 7.553 7.033 1.00 29.78 C ATOM 478 O ILE A2110 0.629 7.021 7.886 1.00 28.22 O ATOM 479 CB ILE A2110 2.356 6.128 5.136 1.00 26.24 C ATOM 480 CG1 ILE A2110 2.061 5.641 3.708 1.00 24.77 C ATOM 481 CG2 ILE A2110 2.375 4.941 6.092 1.00 26.88 C ATOM 482 CD1 ILE A2110 3.162 4.964 2.957 1.00 24.04 C ATOM 483 H ILE A2110 1.965 8.484 3.984 1.00 0.00 H ATOM 484 N ARG A2111 2.168 8.529 7.338 1.00 31.01 N ATOM 485 CA ARG A2111 2.296 8.951 8.743 1.00 33.33 C ATOM 486 C ARG A2111 0.947 9.451 9.303 1.00 34.71 C ATOM 487 O ARG A2111 0.542 9.099 10.424 1.00 36.53 O ATOM 488 CB ARG A2111 3.337 10.062 8.857 1.00 31.68 C ATOM 489 CG ARG A2111 3.401 10.676 10.242 1.00 34.03 C ATOM 490 CD ARG A2111 4.043 9.735 11.223 1.00 33.89 C ATOM 491 NE ARG A2111 5.467 9.521 10.932 1.00 32.84 N ATOM 492 CZ ARG A2111 6.189 8.555 11.497 1.00 35.80 C ATOM 493 NH1 ARG A2111 5.621 7.689 12.350 1.00 35.14 N ATOM 494 NH2 ARG A2111 7.470 8.424 11.187 1.00 40.22 N ATOM 495 HE ARG A2111 5.934 10.154 10.252 1.00 0.00 H ATOM 496 HH12 ARG A2111 6.193 6.938 12.786 1.00 0.00 H ATOM 497 HH11 ARG A2111 4.609 7.769 12.575 1.00 0.00 H ATOM 498 HH22 ARG A2111 8.037 7.671 11.626 1.00 0.00 H ATOM 499 HH21 ARG A2111 7.909 9.074 10.504 1.00 0.00 H ATOM 500 H ARG A2111 2.727 8.995 6.595 1.00 0.00 H ATOM 501 N GLU A2112 0.287 10.277 8.512 1.00 37.56 N ATOM 502 CA GLU A2112 -1.022 10.813 8.853 1.00 42.53 C ATOM 503 C GLU A2112 -2.093 9.737 9.080 1.00 40.49 C ATOM 504 O GLU A2112 -2.901 9.804 10.040 1.00 38.08 O ATOM 505 CB GLU A2112 -1.498 11.749 7.743 1.00 48.27 C ATOM 506 CG GLU A2112 -0.969 13.149 7.876 1.00 55.06 C ATOM 507 CD GLU A2112 -1.197 13.664 9.278 1.00 61.56 C ATOM 508 OE1 GLU A2112 -0.200 13.959 9.987 1.00 66.89 O ATOM 509 OE2 GLU A2112 -2.386 13.707 9.682 1.00 70.70 O ATOM 510 H GLU A2112 0.720 10.556 7.609 1.00 0.00 H ATOM 511 N LYS A2113 -2.105 8.771 8.170 1.00 34.59 N ATOM 512 CA LYS A2113 -3.059 7.671 8.213 1.00 34.69 C ATOM 513 C LYS A2113 -2.738 6.782 9.390 1.00 34.37 C ATOM 514 O LYS A2113 -3.652 6.350 10.105 1.00 33.41 O ATOM 515 CB LYS A2113 -3.043 6.885 6.918 1.00 33.88 C ATOM 516 CG LYS A2113 -3.631 7.617 5.722 1.00 33.69 C ATOM 517 CD LYS A2113 -3.617 6.743 4.455 1.00 33.02 C ATOM 518 CE LYS A2113 -4.528 5.504 4.562 1.00 31.82 C ATOM 519 NZ LYS A2113 -4.556 4.687 3.309 1.00 30.47 N ATOM 520 HZ1 LYS A2113 -4.908 5.271 2.524 1.00 0.00 H ATOM 521 HZ2 LYS A2113 -3.595 4.355 3.092 1.00 0.00 H ATOM 522 HZ3 LYS A2113 -5.185 3.870 3.444 1.00 0.00 H ATOM 523 H LYS A2113 -1.408 8.800 7.398 1.00 0.00 H ATOM 524 N LEU A2114 -1.450 6.574 9.674 1.00 33.63 N ATOM 525 CA LEU A2114 -1.078 5.794 10.867 1.00 34.53 C ATOM 526 C LEU A2114 -1.508 6.460 12.193 1.00 37.55 C ATOM 527 O LEU A2114 -2.085 5.798 13.043 1.00 38.02 O ATOM 528 CB LEU A2114 0.453 5.537 10.912 1.00 36.53 C ATOM 529 CG LEU A2114 0.966 4.502 11.915 1.00 37.92 C ATOM 530 CD1 LEU A2114 0.366 3.135 11.656 1.00 40.63 C ATOM 531 CD2 LEU A2114 2.509 4.412 11.865 1.00 42.11 C ATOM 532 H LEU A2114 -0.711 6.962 9.054 1.00 0.00 H ATOM 533 N SER A2115 -1.204 7.757 12.332 1.00 37.01 N ATOM 534 CA SER A2115 -1.459 8.551 13.520 1.00 37.33 C ATOM 535 C SER A2115 -2.953 8.745 13.745 1.00 39.52 C ATOM 536 O SER A2115 -3.379 8.907 14.875 1.00 43.38 O ATOM 537 CB SER A2115 -0.816 9.953 13.373 1.00 40.02 C ATOM 538 OG SER A2115 0.629 9.914 13.268 1.00 42.04 O ATOM 539 HG SER A2115 0.887 9.383 12.473 1.00 0.00 H ATOM 540 H SER A2115 -0.750 8.232 11.526 1.00 0.00 H ATOM 541 N SER A2116 -3.753 8.728 12.682 1.00 38.71 N ATOM 542 CA SER A2116 -5.187 8.947 12.798 1.00 39.35 C ATOM 543 C SER A2116 -5.993 7.655 12.847 1.00 40.99 C ATOM 544 O SER A2116 -7.190 7.687 12.695 1.00 45.48 O ATOM 545 CB SER A2116 -5.655 9.843 11.648 1.00 42.15 C ATOM 546 OG SER A2116 -5.528 9.216 10.361 1.00 43.26 O ATOM 547 HG SER A2116 -4.578 8.988 10.198 1.00 0.00 H ATOM 548 H SER A2116 -3.342 8.553 11.743 1.00 0.00 H ATOM 549 N GLY A2117 -5.360 6.508 13.056 1.00 38.21 N ATOM 550 CA GLY A2117 -6.095 5.261 13.108 1.00 38.52 C ATOM 551 C GLY A2117 -6.688 4.761 11.813 1.00 39.74 C ATOM 552 O GLY A2117 -7.663 4.023 11.853 1.00 45.36 O ATOM 553 H GLY A2117 -4.328 6.504 13.184 1.00 0.00 H ATOM 554 N GLN A2118 -6.125 5.101 10.650 1.00 38.10 N ATOM 555 CA GLN A2118 -6.750 4.652 9.399 1.00 38.59 C ATOM 556 C GLN A2118 -6.316 3.253 8.955 1.00 37.44 C ATOM 557 O GLN A2118 -6.857 2.687 8.019 1.00 34.97 O ATOM 558 CB GLN A2118 -6.535 5.653 8.297 1.00 36.68 C ATOM 559 CG GLN A2118 -7.288 6.934 8.565 1.00 38.15 C ATOM 560 CD GLN A2118 -7.165 7.915 7.419 1.00 39.30 C ATOM 561 OE1 GLN A2118 -7.527 7.618 6.263 1.00 40.86 O ATOM 562 NE2 GLN A2118 -6.663 9.087 7.719 1.00 40.28 N ATOM 563 HE22 GLN A2118 -6.373 9.294 8.696 1.00 0.00 H ATOM 564 HE21 GLN A2118 -6.554 9.811 6.980 1.00 0.00 H ATOM 565 H GLN A2118 -5.258 5.675 10.631 1.00 0.00 H ATOM 566 N TYR A2119 -5.345 2.689 9.630 1.00 37.11 N ATOM 567 CA TYR A2119 -4.898 1.350 9.281 1.00 36.97 C ATOM 568 C TYR A2119 -5.443 0.419 10.336 1.00 40.65 C ATOM 569 O TYR A2119 -5.014 0.483 11.489 1.00 43.85 O ATOM 570 CB TYR A2119 -3.386 1.256 9.261 1.00 33.72 C ATOM 571 CG TYR A2119 -2.764 2.068 8.164 1.00 31.30 C ATOM 572 CD1 TYR A2119 -3.090 1.840 6.835 1.00 31.79 C ATOM 573 CD2 TYR A2119 -1.849 3.070 8.452 1.00 30.59 C ATOM 574 CE1 TYR A2119 -2.526 2.614 5.830 1.00 29.58 C ATOM 575 CE2 TYR A2119 -1.246 3.812 7.462 1.00 27.99 C ATOM 576 CZ TYR A2119 -1.587 3.580 6.151 1.00 29.03 C ATOM 577 OH TYR A2119 -1.010 4.314 5.165 1.00 29.55 O ATOM 578 HH TYR A2119 -1.364 4.022 4.288 1.00 0.00 H ATOM 579 H TYR A2119 -4.894 3.199 10.416 1.00 0.00 H ATOM 580 N PRO A2120 -6.362 -0.457 9.944 1.00 41.87 N ATOM 581 CA PRO A2120 -6.965 -1.337 10.941 1.00 44.76 C ATOM 582 C PRO A2120 -6.054 -2.472 11.314 1.00 44.16 C ATOM 583 O PRO A2120 -6.208 -3.026 12.381 1.00 45.15 O ATOM 584 CB PRO A2120 -8.199 -1.888 10.223 1.00 46.18 C ATOM 585 CG PRO A2120 -7.834 -1.834 8.766 1.00 45.84 C ATOM 586 CD PRO A2120 -6.979 -0.605 8.621 1.00 43.37 C ATOM 587 N ASN A2121 -5.094 -2.809 10.453 1.00 43.59 N ATOM 588 CA ASN A2121 -4.172 -3.902 10.732 1.00 42.47 C ATOM 589 C ASN A2121 -2.830 -3.712 10.026 1.00 41.55 C ATOM 590 O ASN A2121 -2.627 -2.720 9.322 1.00 37.52 O ATOM 591 CB ASN A2121 -4.827 -5.236 10.346 1.00 43.59 C ATOM 592 CG ASN A2121 -5.074 -5.368 8.859 1.00 44.73 C ATOM 593 OD1 ASN A2121 -4.331 -4.876 8.043 1.00 42.44 O ATOM 594 ND2 ASN A2121 -6.110 -6.083 8.509 1.00 48.62 N ATOM 595 HD22 ASN A2121 -6.729 -6.492 9.237 1.00 0.00 H ATOM 596 HD21 ASN A2121 -6.315 -6.243 7.502 1.00 0.00 H ATOM 597 H ASN A2121 -5.001 -2.280 9.562 1.00 0.00 H ATOM 598 N LEU A2122 -1.930 -4.673 10.217 1.00 40.13 N ATOM 599 CA LEU A2122 -0.551 -4.549 9.727 1.00 38.82 C ATOM 600 C LEU A2122 -0.497 -4.565 8.194 1.00 40.96 C ATOM 601 O LEU A2122 0.206 -3.752 7.576 1.00 35.81 O ATOM 602 CB LEU A2122 0.360 -5.662 10.298 1.00 39.48 C ATOM 603 CG LEU A2122 0.865 -5.541 11.751 1.00 39.94 C ATOM 604 CD1 LEU A2122 1.661 -6.786 12.119 1.00 41.73 C ATOM 605 CD2 LEU A2122 1.710 -4.298 12.014 1.00 38.59 C ATOM 606 H LEU A2122 -2.210 -5.535 10.727 1.00 0.00 H ATOM 607 N GLU A2123 -1.250 -5.480 7.594 1.00 37.79 N ATOM 608 CA GLU A2123 -1.310 -5.626 6.156 1.00 40.95 C ATOM 609 C GLU A2123 -1.690 -4.323 5.461 1.00 35.55 C ATOM 610 O GLU A2123 -1.145 -4.005 4.427 1.00 36.89 O ATOM 611 CB GLU A2123 -2.303 -6.761 5.785 1.00 46.83 C ATOM 612 CG GLU A2123 -2.727 -6.830 4.314 1.00 57.49 C ATOM 613 CD GLU A2123 -4.107 -7.493 4.046 1.00 67.60 C ATOM 614 OE1 GLU A2123 -4.291 -7.978 2.901 1.00 74.56 O ATOM 615 OE2 GLU A2123 -5.019 -7.514 4.927 1.00 69.57 O ATOM 616 H GLU A2123 -1.821 -6.119 8.183 1.00 0.00 H ATOM 617 N THR A2124 -2.636 -3.563 5.996 1.00 34.29 N ATOM 618 CA THR A2124 -3.094 -2.387 5.273 1.00 32.14 C ATOM 619 C THR A2124 -1.956 -1.387 5.178 1.00 31.09 C ATOM 620 O THR A2124 -1.773 -0.776 4.144 1.00 30.83 O ATOM 621 CB THR A2124 -4.382 -1.828 5.869 1.00 34.25 C ATOM 622 OG1 THR A2124 -4.282 -1.663 7.298 1.00 38.25 O ATOM 623 CG2 THR A2124 -5.472 -2.807 5.598 1.00 34.88 C ATOM 624 HG1 THR A2124 -4.099 -2.540 7.718 1.00 0.00 H ATOM 625 H THR A2124 -3.045 -3.805 6.921 1.00 0.00 H ATOM 626 N PHE A2125 -1.194 -1.258 6.264 1.00 30.43 N ATOM 627 CA PHE A2125 -0.016 -0.379 6.339 1.00 30.16 C ATOM 628 C PHE A2125 1.052 -0.783 5.344 1.00 29.60 C ATOM 629 O PHE A2125 1.573 0.069 4.632 1.00 26.44 O ATOM 630 CB PHE A2125 0.585 -0.401 7.753 1.00 30.82 C ATOM 631 CG PHE A2125 1.934 0.305 7.892 1.00 28.48 C ATOM 632 CD1 PHE A2125 1.989 1.674 8.129 1.00 28.45 C ATOM 633 CD2 PHE A2125 3.108 -0.408 7.869 1.00 28.96 C ATOM 634 CE1 PHE A2125 3.212 2.318 8.276 1.00 28.75 C ATOM 635 CE2 PHE A2125 4.322 0.213 8.026 1.00 29.67 C ATOM 636 CZ PHE A2125 4.378 1.589 8.214 1.00 27.19 C ATOM 637 H PHE A2125 -1.447 -1.811 7.108 1.00 0.00 H ATOM 638 N ALA A2126 1.393 -2.081 5.322 1.00 30.35 N ATOM 639 CA ALA A2126 2.321 -2.588 4.357 1.00 31.86 C ATOM 640 C ALA A2126 1.839 -2.375 2.963 1.00 30.38 C ATOM 641 O ALA A2126 2.665 -2.050 2.077 1.00 29.97 O ATOM 642 CB ALA A2126 2.644 -4.078 4.556 1.00 34.32 C ATOM 643 H ALA A2126 0.975 -2.730 6.019 1.00 0.00 H ATOM 644 N LEU A2127 0.553 -2.567 2.714 1.00 27.51 N ATOM 645 CA LEU A2127 0.014 -2.242 1.375 1.00 28.02 C ATOM 646 C LEU A2127 0.290 -0.800 0.879 1.00 26.09 C ATOM 647 O LEU A2127 0.601 -0.595 -0.313 1.00 24.91 O ATOM 648 CB LEU A2127 -1.476 -2.568 1.241 1.00 31.39 C ATOM 649 CG LEU A2127 -1.715 -4.097 1.210 1.00 34.98 C ATOM 650 CD1 LEU A2127 -3.164 -4.448 1.479 1.00 36.51 C ATOM 651 CD2 LEU A2127 -1.274 -4.693 -0.130 1.00 35.85 C ATOM 652 H LEU A2127 -0.074 -2.943 3.454 1.00 0.00 H ATOM 653 N ASP A2128 0.092 0.192 1.742 1.00 24.68 N ATOM 654 CA ASP A2128 0.370 1.600 1.356 1.00 24.29 C ATOM 655 C ASP A2128 1.896 1.834 1.152 1.00 24.41 C ATOM 656 O ASP A2128 2.297 2.575 0.239 1.00 23.52 O ATOM 657 CB ASP A2128 -0.153 2.577 2.404 1.00 25.89 C ATOM 658 CG ASP A2128 -1.541 3.118 2.062 1.00 30.11 C ATOM 659 OD1 ASP A2128 -2.019 2.748 0.959 1.00 29.13 O ATOM 660 OD2 ASP A2128 -2.086 3.937 2.846 1.00 28.65 O ATOM 661 H ASP A2128 -0.261 -0.020 2.697 1.00 0.00 H ATOM 662 N VAL A2129 2.719 1.186 1.976 1.00 24.58 N ATOM 663 CA VAL A2129 4.203 1.307 1.835 1.00 25.17 C ATOM 664 C VAL A2129 4.621 0.756 0.455 1.00 26.28 C ATOM 665 O VAL A2129 5.288 1.437 -0.311 1.00 25.76 O ATOM 666 CB VAL A2129 5.014 0.653 2.969 1.00 26.23 C ATOM 667 CG1 VAL A2129 6.535 0.746 2.696 1.00 27.34 C ATOM 668 CG2 VAL A2129 4.736 1.360 4.309 1.00 25.77 C ATOM 669 H VAL A2129 2.323 0.587 2.729 1.00 0.00 H ATOM 670 N ARG A2130 4.231 -0.473 0.125 1.00 26.17 N ATOM 671 CA ARG A2130 4.442 -0.994 -1.233 1.00 26.15 C ATOM 672 C ARG A2130 3.927 -0.080 -2.389 1.00 24.45 C ATOM 673 O ARG A2130 4.569 0.000 -3.424 1.00 27.70 O ATOM 674 CB ARG A2130 3.903 -2.451 -1.363 1.00 26.80 C ATOM 675 CG ARG A2130 4.380 -3.332 -0.243 1.00 28.39 C ATOM 676 CD ARG A2130 4.049 -4.800 -0.393 1.00 32.46 C ATOM 677 NE ARG A2130 4.835 -5.552 0.600 1.00 33.42 N ATOM 678 CZ ARG A2130 4.357 -6.415 1.474 1.00 32.92 C ATOM 679 NH1 ARG A2130 3.063 -6.715 1.522 1.00 36.93 N ATOM 680 NH2 ARG A2130 5.162 -6.953 2.331 1.00 34.43 N ATOM 681 HE ARG A2130 5.862 -5.387 0.613 1.00 0.00 H ATOM 682 HH12 ARG A2130 2.714 -7.400 2.222 1.00 0.00 H ATOM 683 HH11 ARG A2130 2.400 -6.265 0.859 1.00 0.00 H ATOM 684 HH22 ARG A2130 4.800 -7.636 3.027 1.00 0.00 H ATOM 685 HH21 ARG A2130 6.171 -6.703 2.324 1.00 0.00 H ATOM 686 H ARG A2130 3.770 -1.073 0.838 1.00 0.00 H ATOM 687 N LEU A2131 2.772 0.574 -2.232 1.00 24.55 N ATOM 688 CA LEU A2131 2.192 1.429 -3.249 1.00 23.84 C ATOM 689 C LEU A2131 3.124 2.600 -3.512 1.00 23.67 C ATOM 690 O LEU A2131 3.257 3.058 -4.632 1.00 20.69 O ATOM 691 CB LEU A2131 0.856 1.953 -2.761 1.00 24.63 C ATOM 692 CG LEU A2131 0.067 2.793 -3.721 1.00 26.73 C ATOM 693 CD1 LEU A2131 -0.333 1.956 -4.923 1.00 27.25 C ATOM 694 CD2 LEU A2131 -1.162 3.314 -2.940 1.00 28.31 C ATOM 695 H LEU A2131 2.262 0.464 -1.332 1.00 0.00 H ATOM 696 N VAL A2132 3.844 3.030 -2.491 1.00 21.93 N ATOM 697 CA VAL A2132 4.807 4.097 -2.721 1.00 23.82 C ATOM 698 C VAL A2132 5.830 3.604 -3.733 1.00 24.30 C ATOM 699 O VAL A2132 6.138 4.290 -4.715 1.00 24.70 O ATOM 700 CB VAL A2132 5.521 4.538 -1.406 1.00 25.11 C ATOM 701 CG1 VAL A2132 6.624 5.553 -1.669 1.00 26.84 C ATOM 702 CG2 VAL A2132 4.536 5.123 -0.406 1.00 24.61 C ATOM 703 H VAL A2132 3.725 2.616 -1.545 1.00 0.00 H ATOM 704 N PHE A2133 6.354 2.388 -3.541 1.00 22.87 N ATOM 705 CA PHE A2133 7.403 1.974 -4.414 1.00 23.00 C ATOM 706 C PHE A2133 6.887 1.403 -5.749 1.00 24.56 C ATOM 707 O PHE A2133 7.606 1.480 -6.784 1.00 24.30 O ATOM 708 CB PHE A2133 8.285 0.955 -3.732 1.00 25.12 C ATOM 709 CG PHE A2133 8.718 1.370 -2.373 1.00 24.90 C ATOM 710 CD1 PHE A2133 9.212 2.631 -2.171 1.00 25.71 C ATOM 711 CD2 PHE A2133 8.614 0.492 -1.307 1.00 25.74 C ATOM 712 CE1 PHE A2133 9.589 3.037 -0.890 1.00 27.96 C ATOM 713 CE2 PHE A2133 9.016 0.875 -0.031 1.00 28.44 C ATOM 714 CZ PHE A2133 9.479 2.179 0.168 1.00 26.92 C ATOM 715 H PHE A2133 6.009 1.767 -2.782 1.00 0.00 H ATOM 716 N ASP A2134 5.692 0.808 -5.750 1.00 23.54 N ATOM 717 CA ASP A2134 5.057 0.434 -7.051 1.00 25.78 C ATOM 718 C ASP A2134 4.770 1.671 -7.959 1.00 25.86 C ATOM 719 O ASP A2134 5.006 1.689 -9.202 1.00 24.34 O ATOM 720 CB ASP A2134 3.750 -0.349 -6.801 1.00 25.55 C ATOM 721 CG ASP A2134 4.009 -1.763 -6.183 1.00 27.44 C ATOM 722 OD1 ASP A2134 5.184 -2.248 -6.092 1.00 25.15 O ATOM 723 OD2 ASP A2134 3.032 -2.368 -5.699 1.00 28.02 O ATOM 724 H ASP A2134 5.206 0.606 -4.853 1.00 0.00 H ATOM 725 N ASN A2135 4.248 2.723 -7.337 1.00 25.20 N ATOM 726 CA ASN A2135 4.066 3.976 -8.084 1.00 23.87 C ATOM 727 C ASN A2135 5.372 4.463 -8.697 1.00 24.85 C ATOM 728 O ASN A2135 5.400 4.847 -9.878 1.00 26.20 O ATOM 729 CB ASN A2135 3.466 5.062 -7.207 1.00 24.65 C ATOM 730 CG ASN A2135 1.999 4.830 -6.859 1.00 25.14 C ATOM 731 OD1 ASN A2135 1.278 3.989 -7.442 1.00 25.07 O ATOM 732 ND2 ASN A2135 1.527 5.639 -5.969 1.00 25.49 N ATOM 733 HD22 ASN A2135 2.155 6.325 -5.505 1.00 0.00 H ATOM 734 HD21 ASN A2135 0.519 5.604 -5.717 1.00 0.00 H ATOM 735 H ASN A2135 3.972 2.661 -6.336 1.00 0.00 H ATOM 736 N CYS A2136 6.441 4.472 -7.914 1.00 23.78 N ATOM 737 CA CYS A2136 7.754 4.980 -8.373 1.00 22.81 C ATOM 738 C CYS A2136 8.278 4.138 -9.534 1.00 20.83 C ATOM 739 O CYS A2136 8.863 4.635 -10.467 1.00 21.66 O ATOM 740 CB CYS A2136 8.758 5.017 -7.172 1.00 23.06 C ATOM 741 SG CYS A2136 10.435 5.501 -7.629 1.00 27.09 S ATOM 742 H CYS A2136 6.355 4.110 -6.943 1.00 0.00 H ATOM 743 N GLU A2137 8.106 2.820 -9.449 1.00 22.55 N ATOM 744 CA GLU A2137 8.550 1.909 -10.501 1.00 22.02 C ATOM 745 C GLU A2137 7.692 1.988 -11.775 1.00 21.62 C ATOM 746 O GLU A2137 8.195 1.832 -12.872 1.00 24.81 O ATOM 747 CB GLU A2137 8.568 0.473 -9.948 1.00 23.74 C ATOM 748 CG GLU A2137 9.397 -0.493 -10.818 1.00 25.00 C ATOM 749 CD GLU A2137 9.862 -1.737 -10.095 1.00 27.78 C ATOM 750 OE1 GLU A2137 9.649 -1.837 -8.843 1.00 28.40 O ATOM 751 OE2 GLU A2137 10.457 -2.602 -10.790 1.00 29.35 O ATOM 752 H GLU A2137 7.640 2.427 -8.606 1.00 0.00 H ATOM 753 N THR A2138 6.393 2.230 -11.637 1.00 21.90 N ATOM 754 CA THR A2138 5.536 2.422 -12.773 1.00 22.76 C ATOM 755 C THR A2138 5.930 3.728 -13.481 1.00 22.62 C ATOM 756 O THR A2138 6.102 3.780 -14.688 1.00 22.57 O ATOM 757 CB THR A2138 4.079 2.542 -12.312 1.00 25.42 C ATOM 758 OG1 THR A2138 3.762 1.357 -11.612 1.00 26.32 O ATOM 759 CG2 THR A2138 3.133 2.698 -13.480 1.00 28.35 C ATOM 760 HG1 THR A2138 4.367 1.263 -10.834 1.00 0.00 H ATOM 761 H THR A2138 5.986 2.282 -10.681 1.00 0.00 H ATOM 762 N PHE A2139 6.148 4.765 -12.706 1.00 24.07 N ATOM 763 CA PHE A2139 6.347 6.092 -13.314 1.00 25.66 C ATOM 764 C PHE A2139 7.726 6.353 -13.891 1.00 24.15 C ATOM 765 O PHE A2139 7.852 6.960 -14.962 1.00 23.70 O ATOM 766 CB PHE A2139 6.063 7.215 -12.331 1.00 26.53 C ATOM 767 CG PHE A2139 5.887 8.569 -13.040 1.00 28.57 C ATOM 768 CD1 PHE A2139 4.790 8.796 -13.856 1.00 28.75 C ATOM 769 CD2 PHE A2139 6.850 9.552 -12.960 1.00 33.06 C ATOM 770 CE1 PHE A2139 4.631 10.001 -14.532 1.00 32.56 C ATOM 771 CE2 PHE A2139 6.686 10.781 -13.627 1.00 33.18 C ATOM 772 CZ PHE A2139 5.570 10.995 -14.407 1.00 31.19 C ATOM 773 H PHE A2139 6.180 4.651 -11.673 1.00 0.00 H ATOM 774 N ASN A2140 8.761 5.891 -13.185 1.00 25.40 N ATOM 775 CA ASN A2140 10.155 6.217 -13.497 1.00 24.59 C ATOM 776 C ASN A2140 10.978 5.083 -14.062 1.00 26.85 C ATOM 777 O ASN A2140 10.795 3.920 -13.703 1.00 26.02 O ATOM 778 CB ASN A2140 10.831 6.709 -12.203 1.00 25.60 C ATOM 779 CG ASN A2140 10.139 7.963 -11.622 1.00 26.33 C ATOM 780 OD1 ASN A2140 10.299 9.083 -12.156 1.00 26.46 O ATOM 781 ND2 ASN A2140 9.388 7.784 -10.522 1.00 24.63 N ATOM 782 HD22 ASN A2140 9.284 6.834 -10.113 1.00 0.00 H ATOM 783 HD21 ASN A2140 8.911 8.596 -10.080 1.00 0.00 H ATOM 784 H ASN A2140 8.568 5.269 -12.374 1.00 0.00 H ATOM 785 N GLU A2141 11.948 5.449 -14.907 1.00 27.69 N ATOM 786 CA GLU A2141 12.969 4.518 -15.403 1.00 27.42 C ATOM 787 C GLU A2141 13.763 3.932 -14.273 1.00 27.86 C ATOM 788 O GLU A2141 14.113 4.636 -13.333 1.00 27.30 O ATOM 789 CB GLU A2141 13.924 5.238 -16.370 1.00 26.75 C ATOM 790 CG GLU A2141 13.257 5.677 -17.690 1.00 25.63 C ATOM 791 CD GLU A2141 12.786 4.521 -18.601 1.00 27.45 C ATOM 792 OE1 GLU A2141 13.169 3.352 -18.378 1.00 30.73 O ATOM 793 OE2 GLU A2141 12.026 4.754 -19.560 1.00 28.53 O ATOM 794 H GLU A2141 11.980 6.438 -15.227 1.00 0.00 H ATOM 795 N ASP A2142 14.061 2.638 -14.350 1.00 26.45 N ATOM 796 CA ASP A2142 14.832 2.030 -13.289 1.00 29.43 C ATOM 797 C ASP A2142 16.237 2.652 -13.277 1.00 29.25 C ATOM 798 O ASP A2142 16.832 2.865 -12.210 1.00 29.20 O ATOM 799 CB ASP A2142 14.992 0.524 -13.491 1.00 31.02 C ATOM 800 CG ASP A2142 13.662 -0.254 -13.430 1.00 34.36 C ATOM 801 OD1 ASP A2142 12.672 0.291 -12.861 1.00 32.84 O ATOM 802 OD2 ASP A2142 13.668 -1.444 -13.925 1.00 32.88 O ATOM 803 H ASP A2142 13.744 2.071 -15.162 1.00 0.00 H ATOM 804 N ASP A2143 16.780 2.903 -14.464 1.00 27.62 N ATOM 805 CA ASP A2143 18.158 3.467 -14.556 1.00 30.84 C ATOM 806 C ASP A2143 18.104 5.001 -14.353 1.00 30.89 C ATOM 807 O ASP A2143 18.135 5.772 -15.306 1.00 32.72 O ATOM 808 CB ASP A2143 18.805 3.126 -15.879 1.00 30.17 C ATOM 809 CG ASP A2143 20.242 3.558 -15.925 1.00 32.75 C ATOM 810 OD1 ASP A2143 20.852 3.884 -14.872 1.00 30.84 O ATOM 811 OD2 ASP A2143 20.737 3.568 -17.039 1.00 35.10 O ATOM 812 H ASP A2143 16.242 2.705 -15.332 1.00 0.00 H ATOM 813 N SER A2144 17.912 5.408 -13.103 1.00 30.39 N ATOM 814 CA SER A2144 17.878 6.813 -12.733 1.00 29.24 C ATOM 815 C SER A2144 18.154 6.762 -11.242 1.00 31.64 C ATOM 816 O SER A2144 18.062 5.689 -10.613 1.00 33.65 O ATOM 817 CB SER A2144 16.510 7.429 -12.979 1.00 30.07 C ATOM 818 OG SER A2144 15.507 6.661 -12.308 1.00 27.42 O ATOM 819 HG SER A2144 15.517 5.734 -12.654 1.00 0.00 H ATOM 820 H SER A2144 17.781 4.693 -12.360 1.00 0.00 H ATOM 821 N ASP A2145 18.471 7.908 -10.668 1.00 32.11 N ATOM 822 CA ASP A2145 18.691 7.997 -9.239 1.00 31.65 C ATOM 823 C ASP A2145 17.367 7.700 -8.531 1.00 29.35 C ATOM 824 O ASP A2145 17.319 6.960 -7.558 1.00 27.87 O ATOM 825 CB ASP A2145 19.140 9.403 -8.888 1.00 34.10 C ATOM 826 CG ASP A2145 20.596 9.722 -9.356 1.00 40.27 C ATOM 827 OD1 ASP A2145 21.364 8.815 -9.699 1.00 37.33 O ATOM 828 OD2 ASP A2145 20.955 10.906 -9.350 1.00 42.81 O ATOM 829 H ASP A2145 18.565 8.763 -11.253 1.00 0.00 H ATOM 830 N ILE A2146 16.275 8.293 -9.008 1.00 29.06 N ATOM 831 CA ILE A2146 14.985 8.034 -8.396 1.00 26.58 C ATOM 832 C ILE A2146 14.568 6.549 -8.540 1.00 27.42 C ATOM 833 O ILE A2146 14.076 5.966 -7.584 1.00 26.89 O ATOM 834 CB ILE A2146 13.890 9.008 -8.896 1.00 28.51 C ATOM 835 CG1 ILE A2146 12.664 8.881 -7.995 1.00 30.44 C ATOM 836 CG2 ILE A2146 13.499 8.780 -10.361 1.00 28.66 C ATOM 837 CD1 ILE A2146 11.552 9.880 -8.226 1.00 32.21 C ATOM 838 H ILE A2146 16.346 8.941 -9.818 1.00 0.00 H ATOM 839 N GLY A2147 14.745 5.930 -9.715 1.00 26.93 N ATOM 840 CA GLY A2147 14.416 4.507 -9.877 1.00 25.00 C ATOM 841 C GLY A2147 15.204 3.593 -8.938 1.00 28.06 C ATOM 842 O GLY A2147 14.653 2.654 -8.334 1.00 28.62 O ATOM 843 H GLY A2147 15.121 6.464 -10.524 1.00 0.00 H ATOM 844 N ARG A2148 16.515 3.825 -8.831 1.00 27.16 N ATOM 845 CA ARG A2148 17.361 3.058 -7.917 1.00 26.74 C ATOM 846 C ARG A2148 16.936 3.309 -6.453 1.00 27.30 C ATOM 847 O ARG A2148 16.886 2.370 -5.641 1.00 26.76 O ATOM 848 CB ARG A2148 18.857 3.403 -8.141 1.00 30.15 C ATOM 849 CG ARG A2148 19.479 2.752 -9.400 1.00 31.14 C ATOM 850 CD ARG A2148 20.971 3.115 -9.600 1.00 32.67 C ATOM 851 NE ARG A2148 21.135 4.539 -9.938 1.00 32.71 N ATOM 852 CZ ARG A2148 21.121 5.044 -11.174 1.00 32.97 C ATOM 853 NH1 ARG A2148 20.939 4.259 -12.237 1.00 32.45 N ATOM 854 NH2 ARG A2148 21.231 6.357 -11.349 1.00 33.59 N ATOM 855 HE ARG A2148 21.273 5.205 -9.151 1.00 0.00 H ATOM 856 HH12 ARG A2148 20.931 4.671 -13.192 1.00 0.00 H ATOM 857 HH11 ARG A2148 20.805 3.235 -12.111 1.00 0.00 H ATOM 858 HH22 ARG A2148 21.221 6.756 -12.309 1.00 0.00 H ATOM 859 HH21 ARG A2148 21.327 6.985 -10.526 1.00 0.00 H ATOM 860 H ARG A2148 16.946 4.571 -9.413 1.00 0.00 H ATOM 861 N ALA A2149 16.610 4.563 -6.139 1.00 26.09 N ATOM 862 CA ALA A2149 16.163 4.923 -4.815 1.00 27.78 C ATOM 863 C ALA A2149 14.931 4.116 -4.380 1.00 27.79 C ATOM 864 O ALA A2149 14.908 3.565 -3.246 1.00 28.98 O ATOM 865 CB ALA A2149 15.901 6.414 -4.732 1.00 28.70 C ATOM 866 H ALA A2149 16.680 5.302 -6.868 1.00 0.00 H ATOM 867 N GLY A2150 13.942 4.005 -5.289 1.00 26.24 N ATOM 868 CA GLY A2150 12.754 3.199 -5.085 1.00 25.62 C ATOM 869 C GLY A2150 13.104 1.747 -4.853 1.00 24.30 C ATOM 870 O GLY A2150 12.633 1.162 -3.895 1.00 23.50 O ATOM 871 H GLY A2150 14.036 4.525 -6.185 1.00 0.00 H ATOM 872 N HIS A2151 13.994 1.182 -5.657 1.00 25.35 N ATOM 873 CA HIS A2151 14.331 -0.293 -5.533 1.00 24.89 C ATOM 874 C HIS A2151 15.066 -0.552 -4.229 1.00 26.77 C ATOM 875 O HIS A2151 14.880 -1.588 -3.576 1.00 28.55 O ATOM 876 CB HIS A2151 15.160 -0.736 -6.684 1.00 27.80 C ATOM 877 CG HIS A2151 14.365 -1.317 -7.806 1.00 29.78 C ATOM 878 ND1 HIS A2151 14.401 -0.811 -9.076 1.00 30.64 N ATOM 879 CD2 HIS A2151 13.572 -2.412 -7.857 1.00 29.37 C ATOM 880 CE1 HIS A2151 13.618 -1.535 -9.861 1.00 31.72 C ATOM 881 NE2 HIS A2151 13.099 -2.507 -9.148 1.00 30.46 N ATOM 882 H HIS A2151 14.468 1.757 -6.383 1.00 0.00 H ATOM 883 N ASN A2152 15.892 0.398 -3.822 1.00 27.77 N ATOM 884 CA ASN A2152 16.687 0.259 -2.563 1.00 27.90 C ATOM 885 C ASN A2152 15.790 0.362 -1.341 1.00 27.12 C ATOM 886 O ASN A2152 15.920 -0.414 -0.434 1.00 28.01 O ATOM 887 CB ASN A2152 17.746 1.355 -2.453 1.00 32.10 C ATOM 888 CG ASN A2152 18.864 1.172 -3.444 1.00 38.90 C ATOM 889 OD1 ASN A2152 19.152 0.055 -3.861 1.00 39.67 O ATOM 890 ND2 ASN A2152 19.524 2.278 -3.825 1.00 41.58 N ATOM 891 HD22 ASN A2152 19.246 3.206 -3.446 1.00 0.00 H ATOM 892 HD21 ASN A2152 20.313 2.207 -4.499 1.00 0.00 H ATOM 893 H ASN A2152 15.991 1.263 -4.392 1.00 0.00 H ATOM 894 N MET A2153 14.836 1.295 -1.357 1.00 27.86 N ATOM 895 CA MET A2153 13.874 1.462 -0.264 1.00 28.69 C ATOM 896 C MET A2153 12.906 0.261 -0.171 1.00 28.56 C ATOM 897 O MET A2153 12.564 -0.185 0.897 1.00 25.00 O ATOM 898 CB MET A2153 13.078 2.773 -0.390 1.00 29.06 C ATOM 899 CG MET A2153 13.904 4.040 -0.264 1.00 31.35 C ATOM 900 SD MET A2153 14.692 4.218 1.333 1.00 34.34 S ATOM 901 CE MET A2153 13.329 3.964 2.445 1.00 35.34 C ATOM 902 H MET A2153 14.773 1.929 -2.179 1.00 0.00 H ATOM 903 N ARG A2154 12.461 -0.258 -1.300 1.00 27.09 N ATOM 904 CA ARG A2154 11.671 -1.482 -1.265 1.00 27.36 C ATOM 905 C ARG A2154 12.424 -2.650 -0.546 1.00 27.16 C ATOM 906 O ARG A2154 11.898 -3.314 0.373 1.00 29.57 O ATOM 907 CB ARG A2154 11.250 -1.853 -2.698 1.00 27.14 C ATOM 908 CG ARG A2154 10.302 -3.013 -2.779 1.00 27.90 C ATOM 909 CD ARG A2154 10.252 -3.537 -4.204 1.00 30.08 C ATOM 910 NE ARG A2154 9.685 -2.661 -5.225 1.00 29.32 N ATOM 911 CZ ARG A2154 8.377 -2.418 -5.365 1.00 29.56 C ATOM 912 NH1 ARG A2154 7.490 -2.882 -4.501 1.00 29.62 N ATOM 913 NH2 ARG A2154 7.954 -1.693 -6.381 1.00 30.07 N ATOM 914 HE ARG A2154 10.340 -2.196 -5.886 1.00 0.00 H ATOM 915 HH12 ARG A2154 6.479 -2.678 -4.634 1.00 0.00 H ATOM 916 HH11 ARG A2154 7.804 -3.451 -3.689 1.00 0.00 H ATOM 917 HH22 ARG A2154 6.938 -1.501 -6.495 1.00 0.00 H ATOM 918 HH21 ARG A2154 8.636 -1.313 -7.068 1.00 0.00 H ATOM 919 H ARG A2154 12.673 0.203 -2.208 1.00 0.00 H ATOM 920 N LYS A2155 13.653 -2.891 -0.964 1.00 28.14 N ATOM 921 CA LYS A2155 14.521 -3.903 -0.361 1.00 33.18 C ATOM 922 C LYS A2155 14.712 -3.688 1.143 1.00 31.61 C ATOM 923 O LYS A2155 14.574 -4.633 1.922 1.00 29.44 O ATOM 924 CB LYS A2155 15.865 -3.842 -1.071 1.00 36.73 C ATOM 925 CG LYS A2155 16.875 -4.843 -0.690 1.00 43.64 C ATOM 926 CD LYS A2155 18.110 -4.549 -1.544 1.00 46.35 C ATOM 927 CE LYS A2155 19.288 -5.415 -1.160 1.00 53.86 C ATOM 928 NZ LYS A2155 19.712 -6.317 -2.263 1.00 55.21 N ATOM 929 HZ1 LYS A2155 18.923 -6.943 -2.520 1.00 0.00 H ATOM 930 HZ2 LYS A2155 19.987 -5.747 -3.089 1.00 0.00 H ATOM 931 HZ3 LYS A2155 20.522 -6.889 -1.949 1.00 0.00 H ATOM 932 H LYS A2155 14.022 -2.334 -1.761 1.00 0.00 H ATOM 933 N TYR A2156 15.011 -2.441 1.532 1.00 28.05 N ATOM 934 CA TYR A2156 15.141 -2.084 2.925 1.00 27.75 C ATOM 935 C TYR A2156 13.835 -2.359 3.681 1.00 25.92 C ATOM 936 O TYR A2156 13.848 -2.913 4.797 1.00 28.40 O ATOM 937 CB TYR A2156 15.535 -0.595 3.050 1.00 28.18 C ATOM 938 CG TYR A2156 15.624 -0.148 4.504 1.00 29.80 C ATOM 939 CD1 TYR A2156 16.776 -0.393 5.264 1.00 31.00 C ATOM 940 CD2 TYR A2156 14.534 0.445 5.142 1.00 30.20 C ATOM 941 CE1 TYR A2156 16.860 -0.012 6.602 1.00 29.93 C ATOM 942 CE2 TYR A2156 14.616 0.846 6.465 1.00 29.92 C ATOM 943 CZ TYR A2156 15.782 0.603 7.175 1.00 32.14 C ATOM 944 OH TYR A2156 15.822 0.973 8.506 1.00 39.51 O ATOM 945 HH TYR A2156 16.707 0.742 8.885 1.00 0.00 H ATOM 946 H TYR A2156 15.154 -1.708 0.808 1.00 0.00 H ATOM 947 N PHE A2157 12.713 -1.911 3.114 1.00 26.35 N ATOM 948 CA PHE A2157 11.422 -2.088 3.774 1.00 25.46 C ATOM 949 C PHE A2157 11.110 -3.586 3.978 1.00 27.16 C ATOM 950 O PHE A2157 10.759 -4.047 5.100 1.00 25.37 O ATOM 951 CB PHE A2157 10.299 -1.447 2.974 1.00 28.48 C ATOM 952 CG PHE A2157 8.923 -1.841 3.492 1.00 30.55 C ATOM 953 CD1 PHE A2157 8.525 -1.432 4.753 1.00 31.60 C ATOM 954 CD2 PHE A2157 8.061 -2.659 2.751 1.00 29.70 C ATOM 955 CE1 PHE A2157 7.299 -1.770 5.251 1.00 30.02 C ATOM 956 CE2 PHE A2157 6.829 -3.046 3.270 1.00 29.17 C ATOM 957 CZ PHE A2157 6.443 -2.575 4.518 1.00 31.01 C ATOM 958 H PHE A2157 12.758 -1.431 2.193 1.00 0.00 H ATOM 959 N GLU A2158 11.244 -4.373 2.923 1.00 28.07 N ATOM 960 CA GLU A2158 10.838 -5.790 3.019 1.00 31.00 C ATOM 961 C GLU A2158 11.692 -6.550 4.021 1.00 33.18 C ATOM 962 O GLU A2158 11.160 -7.384 4.760 1.00 35.86 O ATOM 963 CB GLU A2158 10.808 -6.486 1.665 1.00 31.62 C ATOM 964 CG GLU A2158 9.825 -5.877 0.671 1.00 33.46 C ATOM 965 CD GLU A2158 8.357 -6.004 1.057 1.00 35.67 C ATOM 966 OE1 GLU A2158 8.012 -6.677 2.046 1.00 38.04 O ATOM 967 OE2 GLU A2158 7.529 -5.359 0.382 1.00 36.96 O ATOM 968 H GLU A2158 11.632 -3.997 2.034 1.00 0.00 H ATOM 969 N LYS A2159 12.987 -6.227 4.092 1.00 34.33 N ATOM 970 CA LYS A2159 13.863 -6.857 5.084 1.00 35.43 C ATOM 971 C LYS A2159 13.478 -6.387 6.498 1.00 36.51 C ATOM 972 O LYS A2159 13.296 -7.197 7.405 1.00 31.76 O ATOM 973 CB LYS A2159 15.334 -6.568 4.779 1.00 37.15 C ATOM 974 CG LYS A2159 16.291 -7.176 5.785 1.00 39.24 C ATOM 975 CD LYS A2159 16.617 -8.599 5.358 1.00 44.16 C ATOM 976 CE LYS A2159 17.277 -9.467 6.451 1.00 47.55 C ATOM 977 NZ LYS A2159 18.166 -8.727 7.395 1.00 46.66 N ATOM 978 HZ1 LYS A2159 18.939 -8.280 6.862 1.00 0.00 H ATOM 979 HZ2 LYS A2159 17.614 -7.996 7.888 1.00 0.00 H ATOM 980 HZ3 LYS A2159 18.562 -9.392 8.090 1.00 0.00 H ATOM 981 H LYS A2159 13.377 -5.521 3.436 1.00 0.00 H ATOM 982 N LYS A2160 13.339 -5.076 6.661 1.00 34.91 N ATOM 983 CA LYS A2160 12.915 -4.478 7.949 1.00 38.37 C ATOM 984 C LYS A2160 11.526 -5.015 8.416 1.00 37.34 C ATOM 985 O LYS A2160 11.344 -5.296 9.592 1.00 37.81 O ATOM 986 CB LYS A2160 12.912 -2.930 7.832 1.00 41.50 C ATOM 987 CG LYS A2160 12.862 -2.127 9.134 1.00 46.53 C ATOM 988 CD LYS A2160 14.244 -2.090 9.793 1.00 47.13 C ATOM 989 CE LYS A2160 14.179 -1.868 11.302 1.00 54.68 C ATOM 990 NZ LYS A2160 13.704 -0.504 11.629 1.00 54.95 N ATOM 991 HZ1 LYS A2160 14.356 0.196 11.220 1.00 0.00 H ATOM 992 HZ2 LYS A2160 12.752 -0.366 11.234 1.00 0.00 H ATOM 993 HZ3 LYS A2160 13.672 -0.388 12.662 1.00 0.00 H ATOM 994 H LYS A2160 13.535 -4.447 5.856 1.00 0.00 H ATOM 995 N TRP A2161 10.570 -5.171 7.501 1.00 36.23 N ATOM 996 CA TRP A2161 9.274 -5.800 7.771 1.00 35.98 C ATOM 997 C TRP A2161 9.446 -7.264 8.231 1.00 41.07 C ATOM 998 O TRP A2161 8.997 -7.633 9.324 1.00 43.31 O ATOM 999 CB TRP A2161 8.393 -5.706 6.529 1.00 39.60 C ATOM 1000 CG TRP A2161 6.971 -6.035 6.704 1.00 39.00 C ATOM 1001 CD1 TRP A2161 6.323 -7.160 6.263 1.00 43.67 C ATOM 1002 CD2 TRP A2161 5.976 -5.231 7.355 1.00 40.93 C ATOM 1003 NE1 TRP A2161 4.977 -7.099 6.579 1.00 40.74 N ATOM 1004 CE2 TRP A2161 4.744 -5.926 7.262 1.00 42.14 C ATOM 1005 CE3 TRP A2161 5.994 -3.975 7.977 1.00 38.08 C ATOM 1006 CZ2 TRP A2161 3.561 -5.411 7.811 1.00 39.79 C ATOM 1007 CZ3 TRP A2161 4.836 -3.471 8.496 1.00 35.35 C ATOM 1008 CH2 TRP A2161 3.632 -4.184 8.422 1.00 37.00 C ATOM 1009 HE1 TRP A2161 4.263 -7.817 6.341 1.00 0.00 H ATOM 1010 H TRP A2161 10.755 -4.826 6.537 1.00 0.00 H ATOM 1011 N THR A2162 10.118 -8.088 7.434 1.00 42.48 N ATOM 1012 CA THR A2162 10.385 -9.479 7.835 1.00 45.96 C ATOM 1013 C THR A2162 11.081 -9.536 9.216 1.00 47.33 C ATOM 1014 O THR A2162 10.641 -10.268 10.104 1.00 49.07 O ATOM 1015 CB THR A2162 11.216 -10.206 6.755 1.00 46.73 C ATOM 1016 OG1 THR A2162 10.513 -10.184 5.503 1.00 44.15 O ATOM 1017 CG2 THR A2162 11.509 -11.655 7.145 1.00 49.70 C ATOM 1018 HG1 THR A2162 10.365 -9.245 5.226 1.00 0.00 H ATOM 1019 H THR A2162 10.460 -7.745 6.514 1.00 0.00 H ATOM 1020 N ASP A2163 12.129 -8.735 9.421 1.00 46.89 N ATOM 1021 CA ASP A2163 12.878 -8.808 10.689 1.00 48.38 C ATOM 1022 C ASP A2163 12.076 -8.317 11.896 1.00 49.17 C ATOM 1023 O ASP A2163 12.311 -8.769 13.013 1.00 44.10 O ATOM 1024 CB ASP A2163 14.170 -7.999 10.639 1.00 47.81 C ATOM 1025 CG ASP A2163 15.188 -8.581 9.691 1.00 50.53 C ATOM 1026 OD1 ASP A2163 15.029 -9.715 9.176 1.00 52.23 O ATOM 1027 OD2 ASP A2163 16.163 -7.867 9.439 1.00 52.17 O ATOM 1028 H ASP A2163 12.418 -8.059 8.686 1.00 0.00 H ATOM 1029 N THR A2164 11.169 -7.369 11.679 1.00 45.07 N ATOM 1030 CA THR A2164 10.328 -6.883 12.746 1.00 46.11 C ATOM 1031 C THR A2164 9.206 -7.886 13.047 1.00 47.57 C ATOM 1032 O THR A2164 8.913 -8.118 14.190 1.00 52.46 O ATOM 1033 CB THR A2164 9.743 -5.482 12.427 1.00 41.98 C ATOM 1034 OG1 THR A2164 10.798 -4.570 12.148 1.00 39.08 O ATOM 1035 CG2 THR A2164 8.969 -4.918 13.583 1.00 45.01 C ATOM 1036 HG1 THR A2164 11.315 -4.894 11.369 1.00 0.00 H ATOM 1037 H THR A2164 11.064 -6.971 10.724 1.00 0.00 H ATOM 1038 N PHE A2165 8.607 -8.514 12.041 1.00 53.84 N ATOM 1039 CA PHE A2165 7.381 -9.324 12.259 1.00 51.13 C ATOM 1040 C PHE A2165 7.549 -10.805 11.896 1.00 55.63 C ATOM 1041 O PHE A2165 8.361 -11.493 12.507 1.00 59.18 O ATOM 1042 CB PHE A2165 6.213 -8.720 11.475 1.00 47.41 C ATOM 1043 CG PHE A2165 5.809 -7.334 11.942 1.00 41.89 C ATOM 1044 CD1 PHE A2165 5.225 -7.143 13.189 1.00 41.42 C ATOM 1045 CD2 PHE A2165 5.989 -6.216 11.124 1.00 38.45 C ATOM 1046 CE1 PHE A2165 4.834 -5.872 13.624 1.00 38.76 C ATOM 1047 CE2 PHE A2165 5.609 -4.940 11.565 1.00 40.26 C ATOM 1048 CZ PHE A2165 5.022 -4.777 12.816 1.00 36.28 C ATOM 1049 H PHE A2165 9.004 -8.437 11.083 1.00 0.00 H TER 1050 PHE A2165 HETATM 1051 ZN ZN A 1 11.754 2.819 -20.249 1.00 17.56 ZN HETATM 1052 ZN ZN A 2 11.829 -3.626 -10.039 1.00 18.06 ZN HETATM 1053 O HOH 3 15.753 2.211 -17.154 1.00 31.31 O HETATM 1054 O HOH 4 20.614 5.558 5.186 1.00 30.29 O HETATM 1055 O HOH 5 -1.386 3.685 -8.045 1.00 26.86 O HETATM 1056 O HOH 6 6.278 6.864 -5.257 1.00 24.59 O HETATM 1057 O HOH 7 0.141 -2.215 -2.459 1.00 29.94 O HETATM 1058 O HOH 8 4.018 -9.773 4.146 1.00 51.10 O HETATM 1059 O HOH 9 8.770 -8.733 3.951 1.00 44.00 O HETATM 1060 O HOH 10 -1.503 3.292 -11.041 1.00 36.90 O HETATM 1061 O HOH 11 3.003 8.569 -5.215 1.00 28.35 O HETATM 1062 O HOH 12 11.899 2.495 -11.551 1.00 22.37 O HETATM 1063 O HOH 13 11.809 2.455 -8.733 1.00 27.87 O HETATM 1064 O HOH 14 10.370 1.592 -6.699 1.00 28.31 O HETATM 1065 O HOH 15 10.956 3.878 -22.451 1.00 25.74 O HETATM 1066 O HOH 16 11.046 -0.741 -6.584 1.00 25.41 O HETATM 1067 O HOH 17 10.812 -4.714 -7.750 1.00 35.21 O HETATM 1068 O HOH 18 12.528 -6.171 -2.864 1.00 35.28 O HETATM 1069 O HOH 19 14.467 -7.324 1.080 1.00 33.74 O HETATM 1070 O HOH 20 7.596 -5.008 -2.296 1.00 31.73 O HETATM 1071 O HOH 21 5.396 -6.349 -3.794 1.00 47.56 O HETATM 1072 O HOH 22 -0.632 -0.422 -7.140 1.00 42.58 O HETATM 1073 O HOH 23 0.742 -1.387 -4.981 1.00 34.61 O HETATM 1074 O HOH 24 1.202 1.503 -8.226 1.00 33.76 O HETATM 1075 O HOH 25 7.461 3.804 17.442 1.00 32.78 O HETATM 1076 O HOH 26 6.031 7.585 -17.038 1.00 33.68 O HETATM 1077 O HOH 27 5.423 8.865 -3.691 1.00 26.33 O HETATM 1078 O HOH 28 6.627 11.261 -3.328 1.00 30.17 O HETATM 1079 O HOH 29 4.748 5.527 -17.252 1.00 34.77 O HETATM 1080 O HOH 30 1.444 -6.511 -0.975 1.00 39.90 O HETATM 1081 O HOH 31 1.187 -4.682 -2.599 1.00 34.51 O HETATM 1082 O HOH 32 12.124 7.280 -20.800 1.00 40.69 O HETATM 1083 O HOH 33 16.597 0.815 -10.250 1.00 33.86 O HETATM 1084 O HOH 34 17.699 -1.330 -11.920 1.00 30.10 O HETATM 1085 O HOH 35 20.917 1.327 -12.467 1.00 33.06 O HETATM 1086 O HOH 36 18.773 0.091 -13.827 1.00 30.17 O HETATM 1087 O HOH 37 0.794 10.802 -1.827 1.00 39.03 O HETATM 1088 O HOH 38 13.659 -9.714 3.362 1.00 55.61 O HETATM 1089 O HOH 39 13.376 -7.923 -1.162 1.00 46.71 O HETATM 1090 O HOH 40 -3.728 0.005 2.637 1.00 35.50 O HETATM 1091 O HOH 41 -3.625 3.418 12.106 1.00 40.78 O HETATM 1092 O HOH 42 -3.216 0.250 -0.129 1.00 41.00 O HETATM 1093 O HOH 43 -5.680 1.907 3.622 1.00 43.65 O HETATM 1094 O HOH 44 9.484 14.130 -1.175 1.00 44.17 O HETATM 1095 O HOH 45 16.295 10.479 -10.872 1.00 35.94 O HETATM 1096 O HOH 46 5.958 7.585 -7.992 1.00 21.61 O HETATM 1097 O HOH 47 12.856 10.175 -18.308 1.00 45.85 O HETATM 1098 N GLY A 48 10.682 16.672 -10.788 1.00 0.24 N HETATM 1099 CA GLY A 48 11.632 16.985 -9.676 1.00 0.05 C HETATM 1100 C GLY A 48 12.352 15.768 -9.123 1.00 0.22 C HETATM 1101 O GLY A 48 11.882 15.132 -8.189 1.00 -0.39 O HETATM 1102 N GLY A 48 13.506 15.440 -9.699 1.00 -0.26 N HETATM 1103 CA GLY A 48 14.102 14.112 -9.520 1.00 0.12 C HETATM 1104 C GLY A 48 13.494 13.005 -10.413 1.00 0.20 C HETATM 1105 O GLY A 48 14.070 11.916 -10.509 1.00 -0.39 O HETATM 1106 N GLY A 48 12.372 13.287 -11.093 1.00 -0.26 N HETATM 1107 CA GLY A 48 11.673 12.307 -11.913 1.00 0.13 C HETATM 1108 CB GLY A 48 10.285 12.818 -12.276 1.00 -0.01 C HETATM 1109 CG GLY A 48 9.417 13.163 -11.055 1.00 -0.05 C HETATM 1110 CD GLY A 48 9.416 12.096 -9.965 1.00 -0.03 C HETATM 1111 CE GLY A 48 8.107 12.103 -9.211 1.00 0.03 C HETATM 1112 NZ GLY A 48 8.276 11.490 -7.917 1.00 -0.29 N HETATM 1113 CH GLY A 48 8.074 10.181 -7.708 1.00 0.17 C HETATM 1114 OH GLY A 48 7.681 9.413 -8.600 1.00 -0.40 O HETATM 1115 CH3 GLY A 48 8.305 9.737 -6.296 1.00 0.03 C HETATM 1116 H9 GLY A 48 8.649 10.591 -5.695 1.00 0.05 H HETATM 1117 H10 GLY A 48 9.069 8.946 -6.281 1.00 0.05 H HETATM 1118 H11 GLY A 48 7.366 9.348 -5.876 1.00 0.05 H HETATM 1119 H12 GLY A 48 8.554 12.063 -7.146 1.00 0.18 H HETATM 1120 H13 GLY A 48 7.768 13.141 -9.080 1.00 0.05 H HETATM 1121 H14 GLY A 48 7.354 11.541 -9.784 1.00 0.05 H HETATM 1122 H15 GLY A 48 9.561 11.108 -10.427 1.00 0.03 H HETATM 1123 H16 GLY A 48 10.238 12.297 -9.262 1.00 0.03 H HETATM 1124 H17 GLY A 48 9.792 14.101 -10.619 1.00 0.03 H HETATM 1125 H18 GLY A 48 8.382 13.307 -11.398 1.00 0.03 H HETATM 1126 H19 GLY A 48 10.398 13.724 -12.890 1.00 0.03 H HETATM 1127 H20 GLY A 48 9.770 12.041 -12.860 1.00 0.03 H HETATM 1128 C GLY A 48 12.398 11.939 -13.182 1.00 0.20 C HETATM 1129 O GLY A 48 13.102 12.740 -13.779 1.00 -0.39 O HETATM 1130 N GLY A 48 12.199 10.701 -13.624 1.00 -0.26 N HETATM 1131 CA GLY A 48 12.795 10.193 -14.861 1.00 0.13 C HETATM 1132 C GLY A 48 11.697 9.376 -15.555 1.00 0.21 C HETATM 1133 O GLY A 48 11.723 8.161 -15.570 1.00 -0.39 O HETATM 1134 N GLY A 48 10.686 10.058 -16.056 1.00 -0.25 N HETATM 1135 CA GLY A 48 9.494 9.357 -16.501 1.00 0.13 C HETATM 1136 C GLY A 48 9.803 8.405 -17.616 1.00 0.20 C HETATM 1137 O GLY A 48 10.613 8.715 -18.526 1.00 -0.39 O HETATM 1138 N GLY A 48 9.151 7.252 -17.557 1.00 -0.26 N HETATM 1139 CA GLY A 48 9.255 6.308 -18.671 1.00 0.13 C HETATM 1140 C GLY A 48 8.554 6.878 -19.911 1.00 0.20 C HETATM 1141 O GLY A 48 8.963 6.613 -21.021 1.00 -0.39 O HETATM 1142 N GLY A 48 7.471 7.612 -19.695 1.00 -0.26 N HETATM 1143 CA GLY A 48 6.676 8.175 -20.794 1.00 0.13 C HETATM 1144 C GLY A 48 7.011 9.678 -20.872 1.00 0.20 C HETATM 1145 O GLY A 48 6.816 10.401 -19.913 1.00 -0.39 O HETATM 1146 N GLY A 48 7.552 10.139 -21.997 1.00 -0.27 N HETATM 1147 CA GLY A 48 7.872 11.563 -22.170 1.00 0.10 C HETATM 1148 C GLY A 48 9.184 11.920 -21.472 1.00 0.06 C HETATM 1149 O GLY A 48 10.142 11.151 -21.520 1.00 -0.57 O HETATM 1150 OXT GLY A 48 9.292 12.979 -20.857 1.00 -0.57 O HETATM 1151 CB GLY A 48 6.733 12.451 -21.634 1.00 -0.00 C HETATM 1152 CG GLY A 48 6.692 13.841 -22.233 1.00 0.04 C HETATM 1153 CD GLY A 48 6.408 13.816 -23.724 1.00 0.17 C HETATM 1154 OE1 GLY A 48 6.114 12.762 -24.297 1.00 -0.40 O HETATM 1155 NE2 GLY A 48 6.489 14.984 -24.362 1.00 -0.30 N HETATM 1156 H67 GLY A 48 6.312 15.030 -25.345 1.00 0.18 H HETATM 1157 H68 GLY A 48 6.726 15.814 -23.857 1.00 0.18 H HETATM 1158 H65 GLY A 48 7.664 14.327 -22.066 1.00 0.05 H HETATM 1159 H66 GLY A 48 5.902 14.419 -21.732 1.00 0.05 H HETATM 1160 H63 GLY A 48 6.856 12.549 -20.545 1.00 0.03 H HETATM 1161 H64 GLY A 48 5.777 11.954 -21.852 1.00 0.03 H HETATM 1162 H62 GLY A 48 7.988 11.760 -23.246 1.00 0.07 H HETATM 1163 H61 GLY A 48 7.745 9.501 -22.743 1.00 0.19 H HETATM 1164 CB GLY A 48 5.177 7.925 -20.530 1.00 -0.01 C HETATM 1165 CG GLY A 48 4.258 8.253 -21.709 1.00 -0.04 C HETATM 1166 CD GLY A 48 2.826 8.499 -21.250 1.00 -0.01 C HETATM 1167 CE GLY A 48 1.932 9.036 -22.365 1.00 -0.04 C HETATM 1168 NZ GLY A 48 2.278 10.418 -22.802 1.00 0.22 N HETATM 1169 H58 GLY A 48 1.650 10.705 -23.536 1.00 0.20 H HETATM 1170 H59 GLY A 48 3.226 10.435 -23.145 1.00 0.20 H HETATM 1171 H60 GLY A 48 2.192 11.049 -22.020 1.00 0.20 H HETATM 1172 H56 GLY A 48 0.892 9.036 -22.006 1.00 0.08 H HETATM 1173 H57 GLY A 48 2.020 8.366 -23.233 1.00 0.08 H HETATM 1174 H54 GLY A 48 2.841 9.230 -20.428 1.00 0.03 H HETATM 1175 H55 GLY A 48 2.405 7.550 -20.888 1.00 0.03 H HETATM 1176 H52 GLY A 48 4.267 7.409 -22.415 1.00 0.03 H HETATM 1177 H53 GLY A 48 4.632 9.156 -22.213 1.00 0.03 H HETATM 1178 H50 GLY A 48 4.871 8.545 -19.674 1.00 0.03 H HETATM 1179 H51 GLY A 48 5.046 6.862 -20.278 1.00 0.03 H HETATM 1180 H49 GLY A 48 6.954 7.691 -21.742 1.00 0.08 H HETATM 1181 H48 GLY A 48 7.186 7.788 -18.753 1.00 0.19 H HETATM 1182 CB GLY A 48 8.619 4.964 -18.334 1.00 -0.01 C HETATM 1183 CG GLY A 48 9.133 4.267 -17.099 1.00 -0.02 C HETATM 1184 CD GLY A 48 8.442 2.911 -16.914 1.00 0.06 C HETATM 1185 NE GLY A 48 8.895 2.291 -15.677 1.00 -0.27 N HETATM 1186 CZ GLY A 48 10.062 1.658 -15.528 1.00 0.29 C HETATM 1187 NH1 GLY A 48 10.896 1.520 -16.590 1.00 -0.28 N HETATM 1188 H44 GLY A 48 11.796 1.032 -16.478 1.00 0.26 H HETATM 1189 H45 GLY A 48 10.629 1.903 -17.508 1.00 0.26 H HETATM 1190 NH2 GLY A 48 10.369 1.108 -14.318 1.00 -0.28 N HETATM 1191 H46 GLY A 48 9.725 1.222 -13.522 1.00 0.26 H HETATM 1192 H47 GLY A 48 11.245 0.579 -14.200 1.00 0.26 H HETATM 1193 H43 GLY A 48 8.272 2.344 -14.859 1.00 0.26 H HETATM 1194 H41 GLY A 48 8.690 2.256 -17.762 1.00 0.07 H HETATM 1195 H42 GLY A 48 7.353 3.059 -16.871 1.00 0.07 H HETATM 1196 H39 GLY A 48 8.933 4.897 -16.220 1.00 0.03 H HETATM 1197 H40 GLY A 48 10.217 4.109 -17.198 1.00 0.03 H HETATM 1198 H37 GLY A 48 8.784 4.293 -19.190 1.00 0.03 H HETATM 1199 H38 GLY A 48 7.540 5.129 -18.200 1.00 0.03 H HETATM 1200 H36 GLY A 48 10.320 6.151 -18.898 1.00 0.08 H HETATM 1201 H35 GLY A 48 8.593 7.029 -16.758 1.00 0.19 H HETATM 1202 CB GLY A 48 8.566 10.477 -17.040 1.00 -0.01 C HETATM 1203 CG GLY A 48 9.430 11.675 -17.180 1.00 -0.03 C HETATM 1204 CD GLY A 48 10.616 11.513 -16.279 1.00 0.04 C HETATM 1205 H33 GLY A 48 11.532 11.880 -16.765 1.00 0.05 H HETATM 1206 H34 GLY A 48 10.464 12.049 -15.330 1.00 0.05 H HETATM 1207 H31 GLY A 48 8.866 12.575 -16.893 1.00 0.03 H HETATM 1208 H32 GLY A 48 9.767 11.770 -18.223 1.00 0.03 H HETATM 1209 H29 GLY A 48 7.749 10.674 -16.331 1.00 0.03 H HETATM 1210 H30 GLY A 48 8.145 10.191 -18.015 1.00 0.03 H HETATM 1211 H28 GLY A 48 9.025 8.816 -15.666 1.00 0.08 H HETATM 1212 CB GLY A 48 14.004 9.316 -14.532 1.00 -0.02 C HETATM 1213 H25 GLY A 48 14.447 8.938 -15.465 1.00 0.03 H HETATM 1214 H26 GLY A 48 13.683 8.469 -13.908 1.00 0.03 H HETATM 1215 H27 GLY A 48 14.751 9.911 -13.986 1.00 0.03 H HETATM 1216 H24 GLY A 48 13.112 11.027 -15.505 1.00 0.08 H HETATM 1217 H23 GLY A 48 11.617 10.090 -13.088 1.00 0.19 H HETATM 1218 H21 GLY A 48 11.563 11.392 -11.312 1.00 0.08 H HETATM 1219 H22 GLY A 48 11.999 14.213 -11.034 1.00 0.19 H HETATM 1220 H7 GLY A 48 13.969 13.816 -8.469 1.00 0.08 H HETATM 1221 H8 GLY A 48 15.176 14.185 -9.748 1.00 0.08 H HETATM 1222 H6 GLY A 48 13.978 16.115 -10.267 1.00 0.19 H HETATM 1223 H4 GLY A 48 11.066 17.454 -8.858 1.00 0.11 H HETATM 1224 H5 GLY A 48 12.386 17.692 -10.053 1.00 0.11 H HETATM 1225 H1 GLY A 48 10.243 17.522 -11.104 1.00 0.20 H HETATM 1226 H2 GLY A 48 9.977 16.032 -10.457 1.00 0.20 H HETATM 1227 H3 GLY A 48 11.186 16.250 -11.552 1.00 0.20 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 751 749 1052 CONECT 792 791 1051 CONECT 793 791 1051 CONECT 881 879 880 1052 CONECT 1051 792 793 CONECT 1052 751 881 CONECT 1098 1099 1225 1226 1227 CONECT 1099 1098 1100 1223 1224 CONECT 1100 1099 1101 1102 CONECT 1101 1100 CONECT 1102 1100 1103 1222 CONECT 1103 1102 1104 1220 1221 CONECT 1104 1103 1105 1106 CONECT 1105 1104 CONECT 1106 1104 1107 1219 CONECT 1107 1106 1108 1128 1218 CONECT 1108 1107 1109 1126 1127 CONECT 1109 1108 1110 1124 1125 CONECT 1110 1109 1111 1122 1123 CONECT 1111 1110 1112 1120 1121 CONECT 1112 1111 1113 1119 CONECT 1113 1112 1114 1115 CONECT 1114 1113 CONECT 1115 1113 1116 1117 1118 CONECT 1116 1115 CONECT 1117 1115 CONECT 1118 1115 CONECT 1119 1112 CONECT 1120 1111 CONECT 1121 1111 CONECT 1122 1110 CONECT 1123 1110 CONECT 1124 1109 CONECT 1125 1109 CONECT 1126 1108 CONECT 1127 1108 CONECT 1128 1107 1129 1130 CONECT 1129 1128 CONECT 1130 1128 1131 1217 CONECT 1131 1130 1132 1212 1216 CONECT 1132 1131 1133 1134 CONECT 1133 1132 CONECT 1134 1132 1135 1204 CONECT 1135 1134 1136 1202 1211 CONECT 1136 1135 1137 1138 CONECT 1137 1136 CONECT 1138 1136 1139 1201 CONECT 1139 1138 1140 1182 1200 CONECT 1140 1139 1141 1142 CONECT 1141 1140 CONECT 1142 1140 1143 1181 CONECT 1143 1142 1144 1164 1180 CONECT 1144 1143 1145 1146 CONECT 1145 1144 CONECT 1146 1144 1147 1163 CONECT 1147 1146 1148 1151 1162 CONECT 1148 1147 1149 1150 CONECT 1149 1148 CONECT 1150 1148 CONECT 1151 1147 1152 1160 1161 CONECT 1152 1151 1153 1158 1159 CONECT 1153 1152 1154 1155 CONECT 1154 1153 CONECT 1155 1153 1156 1157 CONECT 1156 1155 CONECT 1157 1155 CONECT 1158 1152 CONECT 1159 1152 CONECT 1160 1151 CONECT 1161 1151 CONECT 1162 1147 CONECT 1163 1146 CONECT 1164 1143 1165 1178 1179 CONECT 1165 1164 1166 1176 1177 CONECT 1166 1165 1167 1174 1175 CONECT 1167 1166 1168 1172 1173 CONECT 1168 1167 1169 1170 1171 CONECT 1169 1168 CONECT 1170 1168 CONECT 1171 1168 CONECT 1172 1167 CONECT 1173 1167 CONECT 1174 1166 CONECT 1175 1166 CONECT 1176 1165 CONECT 1177 1165 CONECT 1178 1164 CONECT 1179 1164 CONECT 1180 1143 CONECT 1181 1142 CONECT 1182 1139 1183 1198 1199 CONECT 1183 1182 1184 1196 1197 CONECT 1184 1183 1185 1194 1195 CONECT 1185 1184 1186 1193 CONECT 1186 1185 1187 1190 CONECT 1187 1186 1188 1189 CONECT 1188 1187 CONECT 1189 1187 CONECT 1190 1186 1191 1192 CONECT 1191 1190 CONECT 1192 1190 CONECT 1193 1185 CONECT 1194 1184 CONECT 1195 1184 CONECT 1196 1183 CONECT 1197 1183 CONECT 1198 1182 CONECT 1199 1182 CONECT 1200 1139 CONECT 1201 1138 CONECT 1202 1135 1203 1209 1210 CONECT 1203 1202 1204 1207 1208 CONECT 1204 1134 1203 1205 1206 CONECT 1205 1204 CONECT 1206 1204 CONECT 1207 1203 CONECT 1208 1203 CONECT 1209 1202 CONECT 1210 1202 CONECT 1211 1135 CONECT 1212 1131 1213 1214 1215 CONECT 1213 1212 CONECT 1214 1212 CONECT 1215 1212 CONECT 1216 1131 CONECT 1217 1130 CONECT 1218 1107 CONECT 1219 1106 CONECT 1220 1103 CONECT 1221 1103 CONECT 1222 1102 CONECT 1223 1099 CONECT 1224 1099 CONECT 1225 1098 CONECT 1226 1098 CONECT 1227 1098 MASTER 0 0 0 0 0 0 0 0 1226 1 140 9 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 4qc1
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4ir5
RCSB PDB
PDBbind
117aa, >4IR5_1|Chain... *
4ir6
RCSB PDB
PDBbind
117aa, >4IR6_1|Chain... at 100%
4nra
RCSB PDB
PDBbind
117aa, >4NRA_1|Chain... at 100%
4nrb
RCSB PDB
PDBbind
117aa, >4NRB_1|Chain... at 100%
4nrc
RCSB PDB
PDBbind
117aa, >4NRC_1|Chain... at 100%
4rvr
RCSB PDB
PDBbind
117aa, >4RVR_1|Chain... at 100%
4xua
RCSB PDB
PDBbind
117aa, >4XUA_1|Chain... at 100%
4xub
RCSB PDB
PDBbind
117aa, >4XUB_1|Chain... at 100%
5e73
RCSB PDB
PDBbind
116aa, >5E73_1|Chain... at 100%
5e74
RCSB PDB
PDBbind
116aa, >5E74_1|Chain... at 100%
5l8t
RCSB PDB
PDBbind
116aa, >5L8T_1|Chain... at 100%
5l96
RCSB PDB
PDBbind
116aa, >5L96_1|Chain... at 100%
5l97
RCSB PDB
PDBbind
116aa, >5L97_1|Chain... at 100%
5l98
RCSB PDB
PDBbind
116aa, >5L98_1|Chain... at 100%
5l99
RCSB PDB
PDBbind
116aa, >5L99_1|Chain... at 100%
5mge
RCSB PDB
PDBbind
116aa, >5MGE_1|Chain... at 100%
5mgf
RCSB PDB
PDBbind
116aa, >5MGF_1|Chain... at 100%
5mgg
RCSB PDB
PDBbind
116aa, >5MGG_1|Chain... at 100%
5or9
RCSB PDB
PDBbind
117aa, >5OR9_1|Chain... at 100%
5orb
RCSB PDB
PDBbind
117aa, >5ORB_1|Chain... at 100%
6fh6
RCSB PDB
PDBbind
117aa, >6FH6_1|Chain... at 100%
6fh7
RCSB PDB
PDBbind
117aa, >6FH7_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1avp
RCSB PDB
PDBbind
11-mer
1bbz
RCSB PDB
PDBbind
11-mer
1c5f
RCSB PDB
PDBbind
11-mer
1cwb
RCSB PDB
PDBbind
11-mer
1cwc
RCSB PDB
PDBbind
11-mer
1cyn
RCSB PDB
PDBbind
11-mer
1d4t
RCSB PDB
PDBbind
11-mer
1d4w
RCSB PDB
PDBbind
11-mer
1d8e
RCSB PDB
PDBbind
11-mer
1ddm
RCSB PDB
PDBbind
11-mer
1ff1
RCSB PDB
PDBbind
11-mer
1h25
RCSB PDB
PDBbind
11-mer
1h26
RCSB PDB
PDBbind
11-mer
1h27
RCSB PDB
PDBbind
11-mer
1h28
RCSB PDB
PDBbind
11-mer
1h3h
RCSB PDB
PDBbind
11-mer
1h6e
RCSB PDB
PDBbind
11-mer
1iq1
RCSB PDB
PDBbind
11-mer
1irs
RCSB PDB
PDBbind
11-mer
1jm4
RCSB PDB
PDBbind
11-mer
1l2z
RCSB PDB
PDBbind
11-mer
1lcj
RCSB PDB
PDBbind
11-mer
1mik
RCSB PDB
PDBbind
11-mer
1om2
RCSB PDB
PDBbind
11-mer
1ox9
RCSB PDB
PDBbind
11-mer
1qng
RCSB PDB
PDBbind
11-mer
1qnh
RCSB PDB
PDBbind
11-mer
1s9v
RCSB PDB
PDBbind
11-mer
1sps
RCSB PDB
PDBbind
11-mer
1ths
RCSB PDB
PDBbind
11-mer
1uj0
RCSB PDB
PDBbind
11-mer
1ukh
RCSB PDB
PDBbind
11-mer
1xn2
RCSB PDB
PDBbind
11-mer
1zh7
RCSB PDB
PDBbind
11-mer
1zub
RCSB PDB
PDBbind
11-mer
2aof
RCSB PDB
PDBbind
11-mer
2aoi
RCSB PDB
PDBbind
11-mer
2bj4
RCSB PDB
PDBbind
11-mer
2bz8
RCSB PDB
PDBbind
11-mer
2cia
RCSB PDB
PDBbind
11-mer
2cv3
RCSB PDB
PDBbind
11-mer
2eh8
RCSB PDB
PDBbind
11-mer
2ez5
RCSB PDB
PDBbind
11-mer
2h2g
RCSB PDB
PDBbind
11-mer
2h2h
RCSB PDB
PDBbind
11-mer
2h9m
RCSB PDB
PDBbind
11-mer
2h9n
RCSB PDB
PDBbind
11-mer
2h9p
RCSB PDB
PDBbind
11-mer
2hdx
RCSB PDB
PDBbind
11-mer
2hmh
RCSB PDB
PDBbind
11-mer
2jdl
RCSB PDB
PDBbind
11-mer
2jkr
RCSB PDB
PDBbind
11-mer
2jkt
RCSB PDB
PDBbind
11-mer
2kpl
RCSB PDB
PDBbind
11-mer
2ks9
RCSB PDB
PDBbind
11-mer
2ksa
RCSB PDB
PDBbind
11-mer
2ksb
RCSB PDB
PDBbind
11-mer
2l3r
RCSB PDB
PDBbind
11-mer
2m0o
RCSB PDB
PDBbind
11-mer
2m3m
RCSB PDB
PDBbind
11-mer
2m3o
RCSB PDB
PDBbind
11-mer
2o9k
RCSB PDB
PDBbind
11-mer
2or9
RCSB PDB
PDBbind
11-mer
2qhr
RCSB PDB
PDBbind
11-mer
2r02
RCSB PDB
PDBbind
11-mer
2r05
RCSB PDB
PDBbind
11-mer
2w9r
RCSB PDB
PDBbind
11-mer
2wfj
RCSB PDB
PDBbind
11-mer
2x2c
RCSB PDB
PDBbind
11-mer
2z6w
RCSB PDB
PDBbind
11-mer
3asl
RCSB PDB
PDBbind
11-mer
3ax5
RCSB PDB
PDBbind
11-mer
3dpo
RCSB PDB
PDBbind
11-mer
3e8u
RCSB PDB
PDBbind
11-mer
3eov
RCSB PDB
PDBbind
11-mer
3eyf
RCSB PDB
PDBbind
11-mer
3gxz
RCSB PDB
PDBbind
11-mer
3i90
RCSB PDB
PDBbind
11-mer
3iiw
RCSB PDB
PDBbind
11-mer
3iiy
RCSB PDB
PDBbind
11-mer
3ij0
RCSB PDB
PDBbind
11-mer
3ij1
RCSB PDB
PDBbind
11-mer
3lgl
RCSB PDB
PDBbind
11-mer
3ll8
RCSB PDB
PDBbind
11-mer
3m53
RCSB PDB
PDBbind
11-mer
3m54
RCSB PDB
PDBbind
11-mer
3m55
RCSB PDB
PDBbind
11-mer
3m56
RCSB PDB
PDBbind
11-mer
3m57
RCSB PDB
PDBbind
11-mer
3m58
RCSB PDB
PDBbind
11-mer
3m59
RCSB PDB
PDBbind
11-mer
3m5a
RCSB PDB
PDBbind
11-mer
3me9
RCSB PDB
PDBbind
11-mer
3mea
RCSB PDB
PDBbind
11-mer
3met
RCSB PDB
PDBbind
11-mer
3oap
RCSB PDB
PDBbind
11-mer
3odi
RCSB PDB
PDBbind
11-mer
3odl
RCSB PDB
PDBbind
11-mer
3p4f
RCSB PDB
PDBbind
11-mer
3p9h
RCSB PDB
PDBbind
11-mer
3pqz
RCSB PDB
PDBbind
11-mer
3qzv
RCSB PDB
PDBbind
11-mer
3rbq
RCSB PDB
PDBbind
11-mer
3rl7
RCSB PDB
PDBbind
11-mer
3rl8
RCSB PDB
PDBbind
11-mer
3rwd
RCSB PDB
PDBbind
11-mer
3tg5
RCSB PDB
PDBbind
11-mer
3u0t
RCSB PDB
PDBbind
11-mer
3uvk
RCSB PDB
PDBbind
11-mer
3uvl
RCSB PDB
PDBbind
11-mer
3uvn
RCSB PDB
PDBbind
11-mer
3uvo
RCSB PDB
PDBbind
11-mer
3uvx
RCSB PDB
PDBbind
11-mer
3uw9
RCSB PDB
PDBbind
11-mer
3v2x
RCSB PDB
PDBbind
11-mer
3va4
RCSB PDB
PDBbind
11-mer
3zke
RCSB PDB
PDBbind
11-mer
3zkf
RCSB PDB
PDBbind
11-mer
4aa2
RCSB PDB
PDBbind
11-mer
4b8o
RCSB PDB
PDBbind
11-mer
4bd3
RCSB PDB
PDBbind
11-mer
4ds1
RCSB PDB
PDBbind
11-mer
4e9c
RCSB PDB
PDBbind
11-mer
4fgy
RCSB PDB
PDBbind
11-mer
4g69
RCSB PDB
PDBbind
11-mer
4ht6
RCSB PDB
PDBbind
11-mer
4htp
RCSB PDB
PDBbind
11-mer
4hyb
RCSB PDB
PDBbind
11-mer
4j7i
RCSB PDB
PDBbind
11-mer
4j8g
RCSB PDB
PDBbind
11-mer
4jjm
RCSB PDB
PDBbind
11-mer
4ln2
RCSB PDB
PDBbind
11-mer
4n7g
RCSB PDB
PDBbind
11-mer
4n7y
RCSB PDB
PDBbind
11-mer
4o3t
RCSB PDB
PDBbind
11-mer
4o62
RCSB PDB
PDBbind
11-mer
4pl6
RCSB PDB
PDBbind
11-mer
4pli
RCSB PDB
PDBbind
11-mer
4pr5
RCSB PDB
PDBbind
11-mer
4pra
RCSB PDB
PDBbind
11-mer
4prb
RCSB PDB
PDBbind
11-mer
4prd
RCSB PDB
PDBbind
11-mer
4pre
RCSB PDB
PDBbind
11-mer
4prh
RCSB PDB
PDBbind
11-mer
4pri
RCSB PDB
PDBbind
11-mer
4prn
RCSB PDB
PDBbind
11-mer
4prp
RCSB PDB
PDBbind
11-mer
4pxf
RCSB PDB
PDBbind
11-mer
4qyo
RCSB PDB
PDBbind
11-mer
4tk1
RCSB PDB
PDBbind
11-mer
4tk2
RCSB PDB
PDBbind
11-mer
4tk3
RCSB PDB
PDBbind
11-mer
4tk4
RCSB PDB
PDBbind
11-mer
4tmp
RCSB PDB
PDBbind
11-mer
4u68
RCSB PDB
PDBbind
11-mer
4u91
RCSB PDB
PDBbind
11-mer
4w5a
RCSB PDB
PDBbind
11-mer
4wph
RCSB PDB
PDBbind
11-mer
4x6s
RCSB PDB
PDBbind
11-mer
4xc2
RCSB PDB
PDBbind
11-mer
4yje
RCSB PDB
PDBbind
11-mer
4yk6
RCSB PDB
PDBbind
11-mer
4yv9
RCSB PDB
PDBbind
11-mer
4yy6
RCSB PDB
PDBbind
11-mer
4yyi
RCSB PDB
PDBbind
11-mer
4yym
RCSB PDB
PDBbind
11-mer
4yyn
RCSB PDB
PDBbind
11-mer
5a0e
RCSB PDB
PDBbind
11-mer
5agu
RCSB PDB
PDBbind
11-mer
5agv
RCSB PDB
PDBbind
11-mer
5ah2
RCSB PDB
PDBbind
11-mer
5awt
RCSB PDB
PDBbind
11-mer
5awu
RCSB PDB
PDBbind
11-mer
5b6c
RCSB PDB
PDBbind
11-mer
5c6v
RCSB PDB
PDBbind
11-mer
5c7e
RCSB PDB
PDBbind
11-mer
5c7f
RCSB PDB
PDBbind
11-mer
5csz
RCSB PDB
PDBbind
11-mer
5dah
RCSB PDB
PDBbind
11-mer
5ewz
RCSB PDB
PDBbind
11-mer
5ez0
RCSB PDB
PDBbind
11-mer
5hpm
RCSB PDB
PDBbind
11-mer
5ick
RCSB PDB
PDBbind
11-mer
5id0
RCSB PDB
PDBbind
11-mer
5igq
RCSB PDB
PDBbind
11-mer
5jin
RCSB PDB
PDBbind
11-mer
5jiy
RCSB PDB
PDBbind
11-mer
5jm4
RCSB PDB
PDBbind
11-mer
5kez
RCSB PDB
PDBbind
11-mer
5l3f
RCSB PDB
PDBbind
11-mer
5l3g
RCSB PDB
PDBbind
11-mer
5lgq
RCSB PDB
PDBbind
11-mer
5mlw
RCSB PDB
PDBbind
11-mer
5nne
RCSB PDB
PDBbind
11-mer
5svx
RCSB PDB
PDBbind
11-mer
5svy
RCSB PDB
PDBbind
11-mer
5tdr
RCSB PDB
PDBbind
11-mer
5tdw
RCSB PDB
PDBbind
11-mer
5tq1
RCSB PDB
PDBbind
11-mer
5tqs
RCSB PDB
PDBbind
11-mer
5vlk
RCSB PDB
PDBbind
11-mer
5xhz
RCSB PDB
PDBbind
11-mer
5ygd
RCSB PDB
PDBbind
11-mer
6au5
RCSB PDB
PDBbind
11-mer
6axj
RCSB PDB
PDBbind
11-mer
6axp
RCSB PDB
PDBbind
11-mer
6ayn
RCSB PDB
PDBbind
11-mer
6azk
RCSB PDB
PDBbind
11-mer
6azl
RCSB PDB
PDBbind
11-mer
6ct7
RCSB PDB
PDBbind
11-mer
6g0q
RCSB PDB
PDBbind
11-mer
6qzr
RCSB PDB
PDBbind
11-mer
6qtw
RCSB PDB
PDBbind
11-mer
6qs1
RCSB PDB
PDBbind
11-mer
6om2
RCSB PDB
PDBbind
11-mer
6i5n
RCSB PDB
PDBbind
11-mer
6i5j
RCSB PDB
PDBbind
11-mer
6i4x
RCSB PDB
PDBbind
11-mer
6hks
RCSB PDB
PDBbind
11-mer
6gy5
RCSB PDB
PDBbind
11-mer
6g8q
RCSB PDB
PDBbind
11-mer
6g8p
RCSB PDB
PDBbind
11-mer
6g8l
RCSB PDB
PDBbind
11-mer
6g8k
RCSB PDB
PDBbind
11-mer
6g8j
RCSB PDB
PDBbind
11-mer
6g8i
RCSB PDB
PDBbind
11-mer
6g6x
RCSB PDB
PDBbind
11-mer
Entry Information
PDB ID
4qc1
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
human BAZ2A PHD zinc finger, BAZ2B BRD
Ligand Name
11-mer
EC.Number
E.C.-.-.-.-
Resolution
1.99(Å)
Affinity (Kd/Ki/IC50)
Kd=10.35uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Structure Vol. 23: pp. 80-92
Ligand Properties
Formula
C
3
7
H
6
9
N
1
4
O
1
1
Molecular Weight
886.031
Exact Mass
885.527
No. of atoms
131
No. of bonds
131
Polar Surface Area
425.69
LOGP Value
-4.86 (
Computed with XLOGP3
)
-4.24 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 10
No. of Hydrogen Bond Acceptors: 11
No. of Rotatable Bonds: 37
No. of Nitrogen and Oxygen Atoms: 25
No. of Rings: 1
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)O)CCC(=O)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)C[NH3+])CCCCNC(=O)C)C)CCC[NH+]=C(N)N
InChI String
InChI=1S/C37H66N14O11/c1-21(46-31(56)23(10-4-6-16-43-22(2)52)47-30(55)20-45-29(54)19-39)35(60)51-18-8-12-27(51)34(59)49-25(11-7-17-44-37(41)42)32(57)48-24(9-3-5-15-38)33(58)50-26(36(61)62)13-14-28(40)53/h21,23-27H,3-20,38-39H2,1-2H3,(H2,40,53)(H,43,52)(H,45,54)(H,46,56)(H,47,55)(H,48,57)(H,49,59)(H,50,58)(H,61,62)(H4,41,42,44)/p+3/t21-,23-,24-,25-,26-,27-/m0/s1
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):
Q9UIF8
Entrez Gene ID
NCBI Entrez Gene ID:
29994
ASD
Information of known allosteric effects of PDB entries
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