Browse entries in the PDBbind-CN Database
HEADER 4HXJ_COMPLEX COMPND 4HXJ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 60 GLY SER THR THR PHE VAL ALA LEU TYR ASP TYR GLU SER SEQRES 2 A 60 ARG THR GLU THR ASP LEU SER PHE LYS LYS GLY GLU ARG SEQRES 3 A 60 LEU GLN ILE VAL ASN ASN THR GLU GLY ASP TRP TRP LEU SEQRES 4 A 60 ALA HIS SER LEU SER THR GLY GLN THR GLY TYR ILE PRO SEQRES 5 A 60 SER ASN TYR VAL ALA PRO SER ASP HET ARG A 105 48 ATOM 1 C GLY A 82 18.722 -1.442 27.279 1.00 34.95 C ATOM 2 O GLY A 82 19.123 -1.652 28.425 1.00 43.09 O ATOM 3 N SER A 83 17.472 -1.683 26.900 1.00 19.08 N ATOM 4 CA SER A 83 16.380 -1.671 27.862 1.00 13.03 C ATOM 5 C SER A 83 16.151 -3.059 28.429 1.00 15.92 C ATOM 6 O SER A 83 16.474 -4.061 27.785 1.00 11.29 O ATOM 7 CB SER A 83 15.083 -1.161 27.214 1.00 10.85 C ATOM 8 OG SER A 83 15.239 0.170 26.767 1.00 20.55 O ATOM 9 HA SER A 83 16.659 -0.996 28.671 1.00 0.00 H ATOM 10 HB2 SER A 83 14.277 -1.201 27.947 1.00 0.00 H ATOM 11 HB3 SER A 83 14.832 -1.797 26.365 1.00 0.00 H ATOM 12 HG SER A 83 15.463 0.751 27.536 1.00 0.00 H ATOM 13 H SER A 83 17.270 -1.884 25.900 1.00 0.00 H ATOM 14 N THR A 84 15.589 -3.115 29.634 1.00 5.93 N ATOM 15 CA THR A 84 15.106 -4.383 30.168 1.00 5.71 C ATOM 16 C THR A 84 13.616 -4.326 30.473 1.00 8.94 C ATOM 17 O THR A 84 13.012 -5.343 30.772 1.00 8.73 O ATOM 18 CB THR A 84 15.873 -4.804 31.436 1.00 6.38 C ATOM 19 OG1 THR A 84 16.003 -3.675 32.304 1.00 8.38 O ATOM 20 CG2 THR A 84 17.262 -5.302 31.059 1.00 8.18 C ATOM 21 HA THR A 84 15.283 -5.130 29.394 1.00 0.00 H ATOM 22 HB THR A 84 15.326 -5.601 31.938 1.00 0.00 H ATOM 23 HG1 THR A 84 15.103 -3.347 32.553 1.00 0.00 H ATOM 24 HG23 THR A 84 17.171 -6.163 30.397 1.00 0.00 H ATOM 25 HG21 THR A 84 17.806 -4.507 30.550 1.00 0.00 H ATOM 26 HG22 THR A 84 17.800 -5.592 31.962 1.00 0.00 H ATOM 27 H THR A 84 15.494 -2.247 30.199 1.00 0.00 H ATOM 28 N THR A 85 13.021 -3.137 30.411 1.00 7.56 N ATOM 29 CA THR A 85 11.568 -3.048 30.509 1.00 7.65 C ATOM 30 C THR A 85 11.012 -2.427 29.229 1.00 6.91 C ATOM 31 O THR A 85 11.591 -1.488 28.693 1.00 3.66 O ATOM 32 CB THR A 85 11.104 -2.290 31.783 1.00 19.19 C ATOM 33 OG1 THR A 85 11.616 -2.957 32.946 1.00 22.78 O ATOM 34 CG2 THR A 85 9.583 -2.263 31.870 1.00 13.31 C ATOM 35 HA THR A 85 11.165 -4.056 30.612 1.00 0.00 H ATOM 36 HB THR A 85 11.479 -1.268 31.731 1.00 0.00 H ATOM 37 HG1 THR A 85 11.321 -2.475 33.758 1.00 0.00 H ATOM 38 HG23 THR A 85 9.179 -1.759 30.992 1.00 0.00 H ATOM 39 HG21 THR A 85 9.204 -3.284 31.910 1.00 0.00 H ATOM 40 HG22 THR A 85 9.281 -1.727 32.770 1.00 0.00 H ATOM 41 H THR A 85 13.590 -2.274 30.293 1.00 0.00 H ATOM 42 N PHE A 86 9.919 -3.006 28.733 1.00 5.69 N ATOM 43 CA PHE A 86 9.327 -2.650 27.443 1.00 1.92 C ATOM 44 C PHE A 86 7.829 -2.420 27.567 1.00 1.96 C ATOM 45 O PHE A 86 7.215 -2.780 28.573 1.00 7.31 O ATOM 46 CB PHE A 86 9.588 -3.761 26.424 1.00 3.69 C ATOM 47 CG PHE A 86 11.034 -3.920 26.068 1.00 4.06 C ATOM 48 CD1 PHE A 86 11.531 -3.411 24.878 1.00 8.15 C ATOM 49 CD2 PHE A 86 11.906 -4.567 26.934 1.00 4.56 C ATOM 50 CE1 PHE A 86 12.865 -3.539 24.559 1.00 6.90 C ATOM 51 CE2 PHE A 86 13.242 -4.696 26.625 1.00 1.90 C ATOM 52 CZ PHE A 86 13.726 -4.188 25.442 1.00 6.78 C ATOM 53 HA PHE A 86 9.791 -1.723 27.106 1.00 0.00 H ATOM 54 HB2 PHE A 86 9.230 -4.702 26.841 1.00 0.00 H ATOM 55 HB3 PHE A 86 9.032 -3.533 25.515 1.00 0.00 H ATOM 56 HD2 PHE A 86 11.528 -4.978 27.870 1.00 0.00 H ATOM 57 HE2 PHE A 86 13.916 -5.201 27.318 1.00 0.00 H ATOM 58 HZ PHE A 86 14.782 -4.293 25.195 1.00 0.00 H ATOM 59 HE1 PHE A 86 13.245 -3.135 23.621 1.00 0.00 H ATOM 60 HD1 PHE A 86 10.858 -2.904 24.187 1.00 0.00 H ATOM 61 H PHE A 86 9.461 -3.753 29.294 1.00 0.00 H ATOM 62 N VAL A 87 7.234 -1.816 26.542 1.00 7.29 N ATOM 63 CA VAL A 87 5.788 -1.622 26.517 1.00 2.01 C ATOM 64 C VAL A 87 5.224 -2.162 25.193 1.00 1.99 C ATOM 65 O VAL A 87 5.820 -1.969 24.141 1.00 1.94 O ATOM 66 CB VAL A 87 5.393 -0.137 26.764 1.00 4.32 C ATOM 67 CG1 VAL A 87 5.921 0.761 25.658 1.00 2.47 C ATOM 68 CG2 VAL A 87 3.890 0.005 26.861 1.00 6.24 C ATOM 69 HA VAL A 87 5.344 -2.185 27.338 1.00 0.00 H ATOM 70 HB VAL A 87 5.843 0.172 27.708 1.00 0.00 H ATOM 71 HG11 VAL A 87 7.008 0.690 25.622 1.00 0.00 H ATOM 72 HG12 VAL A 87 5.503 0.443 24.703 1.00 0.00 H ATOM 73 HG13 VAL A 87 5.629 1.792 25.858 1.00 0.00 H ATOM 74 HG21 VAL A 87 3.434 -0.332 25.930 1.00 0.00 H ATOM 75 HG22 VAL A 87 3.522 -0.601 27.688 1.00 0.00 H ATOM 76 HG23 VAL A 87 3.636 1.051 27.034 1.00 0.00 H ATOM 77 H VAL A 87 7.809 -1.476 25.745 1.00 0.00 H ATOM 78 N ALA A 88 4.099 -2.863 25.257 1.00 5.16 N ATOM 79 CA ALA A 88 3.471 -3.405 24.052 1.00 7.26 C ATOM 80 C ALA A 88 2.854 -2.313 23.183 1.00 5.81 C ATOM 81 O ALA A 88 2.102 -1.455 23.667 1.00 5.13 O ATOM 82 CB ALA A 88 2.409 -4.419 24.425 1.00 2.16 C ATOM 83 HA ALA A 88 4.256 -3.889 23.471 1.00 0.00 H ATOM 84 HB1 ALA A 88 2.867 -5.234 24.986 1.00 0.00 H ATOM 85 HB2 ALA A 88 1.648 -3.937 25.038 1.00 0.00 H ATOM 86 HB3 ALA A 88 1.951 -4.813 23.518 1.00 0.00 H ATOM 87 H ALA A 88 3.655 -3.030 26.182 1.00 0.00 H ATOM 88 N LEU A 89 3.151 -2.370 21.892 1.00 6.92 N ATOM 89 CA LEU A 89 2.583 -1.441 20.923 1.00 10.76 C ATOM 90 C LEU A 89 1.268 -1.952 20.311 1.00 12.72 C ATOM 91 O LEU A 89 0.504 -1.166 19.768 1.00 8.82 O ATOM 92 CB LEU A 89 3.601 -1.173 19.813 1.00 13.10 C ATOM 93 CG LEU A 89 4.954 -0.585 20.214 1.00 7.96 C ATOM 94 CD1 LEU A 89 5.991 -0.847 19.122 1.00 5.32 C ATOM 95 CD2 LEU A 89 4.798 0.911 20.491 1.00 6.03 C ATOM 96 HA LEU A 89 2.351 -0.519 21.456 1.00 0.00 H ATOM 97 HB2 LEU A 89 3.794 -2.122 19.312 1.00 0.00 H ATOM 98 HB3 LEU A 89 3.140 -0.479 19.109 1.00 0.00 H ATOM 99 HG LEU A 89 5.307 -1.068 21.125 1.00 0.00 H ATOM 100 HD21 LEU A 89 4.436 1.410 19.592 1.00 0.00 H ATOM 101 HD22 LEU A 89 4.083 1.057 21.301 1.00 0.00 H ATOM 102 HD23 LEU A 89 5.763 1.329 20.777 1.00 0.00 H ATOM 103 HD11 LEU A 89 6.099 -1.922 18.975 1.00 0.00 H ATOM 104 HD12 LEU A 89 5.662 -0.383 18.192 1.00 0.00 H ATOM 105 HD13 LEU A 89 6.949 -0.422 19.423 1.00 0.00 H ATOM 106 H LEU A 89 3.811 -3.102 21.560 1.00 0.00 H ATOM 107 N TYR A 90 1.026 -3.263 20.391 1.00 7.14 N ATOM 108 CA TYR A 90 -0.184 -3.904 19.848 1.00 2.44 C ATOM 109 C TYR A 90 -0.640 -5.028 20.764 1.00 10.09 C ATOM 110 O TYR A 90 0.137 -5.494 21.603 1.00 8.90 O ATOM 111 CB TYR A 90 0.097 -4.524 18.471 1.00 6.47 C ATOM 112 CG TYR A 90 1.103 -3.775 17.636 1.00 10.76 C ATOM 113 CD1 TYR A 90 0.706 -2.764 16.772 1.00 14.60 C ATOM 114 CD2 TYR A 90 2.460 -4.076 17.716 1.00 13.92 C ATOM 115 CE1 TYR A 90 1.638 -2.071 16.005 1.00 12.63 C ATOM 116 CE2 TYR A 90 3.390 -3.396 16.955 1.00 9.46 C ATOM 117 CZ TYR A 90 2.974 -2.393 16.102 1.00 14.90 C ATOM 118 OH TYR A 90 3.906 -1.699 15.359 1.00 18.07 O ATOM 119 HA TYR A 90 -0.951 -3.133 19.767 1.00 0.00 H ATOM 120 HB3 TYR A 90 -0.842 -4.563 17.918 1.00 0.00 H ATOM 121 HB2 TYR A 90 0.469 -5.537 18.624 1.00 0.00 H ATOM 122 HD2 TYR A 90 2.794 -4.863 18.392 1.00 0.00 H ATOM 123 HE2 TYR A 90 4.448 -3.650 17.027 1.00 0.00 H ATOM 124 HE1 TYR A 90 1.313 -1.278 15.331 1.00 0.00 H ATOM 125 HD1 TYR A 90 -0.351 -2.509 16.693 1.00 0.00 H ATOM 126 HH TYR A 90 3.445 -1.021 14.804 1.00 0.00 H ATOM 127 H TYR A 90 1.731 -3.865 20.863 1.00 0.00 H ATOM 128 N ASP A 91 -1.885 -5.481 20.595 1.00 10.40 N ATOM 129 CA ASP A 91 -2.362 -6.687 21.288 1.00 10.32 C ATOM 130 C ASP A 91 -1.754 -7.911 20.627 1.00 8.53 C ATOM 131 O ASP A 91 -1.490 -7.907 19.426 1.00 8.09 O ATOM 132 CB ASP A 91 -3.887 -6.850 21.206 1.00 16.14 C ATOM 133 CG ASP A 91 -4.642 -5.620 21.646 1.00 28.57 C ATOM 134 OD1 ASP A 91 -4.269 -5.013 22.676 1.00 22.65 O ATOM 135 OD2 ASP A 91 -5.629 -5.274 20.961 1.00 38.15 O ATOM 136 HA ASP A 91 -2.070 -6.587 22.333 1.00 0.00 H ATOM 137 HB2 ASP A 91 -4.157 -7.071 20.173 1.00 0.00 H ATOM 138 HB3 ASP A 91 -4.181 -7.684 21.844 1.00 0.00 H ATOM 139 H ASP A 91 -2.531 -4.970 19.960 1.00 0.00 H ATOM 140 N TYR A 92 -1.533 -8.955 21.422 1.00 10.02 N ATOM 141 CA TYR A 92 -1.112 -10.250 20.900 1.00 10.02 C ATOM 142 C TYR A 92 -1.841 -11.323 21.687 1.00 10.59 C ATOM 143 O TYR A 92 -1.856 -11.290 22.919 1.00 5.41 O ATOM 144 CB TYR A 92 0.413 -10.449 21.019 1.00 7.05 C ATOM 145 CG TYR A 92 0.838 -11.818 20.514 1.00 7.37 C ATOM 146 CD1 TYR A 92 0.792 -12.112 19.162 1.00 10.42 C ATOM 147 CD2 TYR A 92 1.231 -12.825 21.394 1.00 5.91 C ATOM 148 CE1 TYR A 92 1.143 -13.360 18.689 1.00 11.56 C ATOM 149 CE2 TYR A 92 1.590 -14.071 20.931 1.00 6.13 C ATOM 150 CZ TYR A 92 1.536 -14.337 19.575 1.00 9.06 C ATOM 151 OH TYR A 92 1.877 -15.583 19.086 1.00 7.12 O ATOM 152 HA TYR A 92 -1.356 -10.308 19.839 1.00 0.00 H ATOM 153 HB3 TYR A 92 0.702 -10.352 22.065 1.00 0.00 H ATOM 154 HB2 TYR A 92 0.917 -9.682 20.431 1.00 0.00 H ATOM 155 HD2 TYR A 92 1.254 -12.623 22.465 1.00 0.00 H ATOM 156 HE2 TYR A 92 1.915 -14.843 21.629 1.00 0.00 H ATOM 157 HE1 TYR A 92 1.109 -13.571 17.620 1.00 0.00 H ATOM 158 HD1 TYR A 92 0.473 -11.344 18.458 1.00 0.00 H ATOM 159 HH TYR A 92 1.280 -16.266 19.482 1.00 0.00 H ATOM 160 H TYR A 92 -1.665 -8.844 22.448 1.00 0.00 H ATOM 161 N GLU A 93 -2.460 -12.260 20.979 1.00 10.64 N ATOM 162 CA GLU A 93 -3.111 -13.404 21.607 1.00 10.05 C ATOM 163 C GLU A 93 -2.280 -14.664 21.370 1.00 10.53 C ATOM 164 O GLU A 93 -1.957 -14.984 20.227 1.00 9.75 O ATOM 165 CB GLU A 93 -4.516 -13.581 21.024 1.00 17.68 C ATOM 166 CG GLU A 93 -5.310 -14.729 21.626 1.00 21.77 C ATOM 167 HA GLU A 93 -3.192 -13.231 22.680 1.00 0.00 H ATOM 168 HB2 GLU A 93 -5.072 -12.658 21.190 1.00 0.00 H ATOM 169 HB3 GLU A 93 -4.420 -13.758 19.953 1.00 0.00 H ATOM 170 HG2 GLU A 93 -4.777 -15.665 21.458 1.00 0.00 H ATOM 171 HG3 GLU A 93 -5.430 -14.564 22.697 1.00 0.00 H ATOM 172 H GLU A 93 -2.481 -12.175 19.943 1.00 0.00 H ATOM 173 N SER A 94 -1.934 -15.380 22.440 1.00 13.11 N ATOM 174 CA SER A 94 -1.074 -16.554 22.314 1.00 14.28 C ATOM 175 C SER A 94 -1.735 -17.653 21.488 1.00 11.86 C ATOM 176 O SER A 94 -2.944 -17.832 21.542 1.00 11.64 O ATOM 177 CB SER A 94 -0.667 -17.097 23.679 1.00 17.06 C ATOM 178 OG SER A 94 -1.796 -17.525 24.413 1.00 25.33 O ATOM 179 HA SER A 94 -0.175 -16.229 21.790 1.00 0.00 H ATOM 180 HB2 SER A 94 -0.156 -16.312 24.237 1.00 0.00 H ATOM 181 HB3 SER A 94 0.009 -17.941 23.540 1.00 0.00 H ATOM 182 HG SER A 94 -2.411 -16.761 24.546 1.00 0.00 H ATOM 183 H SER A 94 -2.282 -15.098 23.379 1.00 0.00 H ATOM 184 N ARG A 95 -0.932 -18.385 20.727 1.00 11.44 N ATOM 185 CA ARG A 95 -1.452 -19.433 19.850 1.00 8.57 C ATOM 186 C ARG A 95 -0.931 -20.817 20.220 1.00 16.43 C ATOM 187 O ARG A 95 -1.384 -21.822 19.674 1.00 14.48 O ATOM 188 CB ARG A 95 -1.093 -19.150 18.392 1.00 4.93 C ATOM 189 CG ARG A 95 -1.741 -17.894 17.828 1.00 11.55 C ATOM 190 CD ARG A 95 -0.680 -16.888 17.467 1.00 22.32 C ATOM 191 NE ARG A 95 -0.227 -17.123 16.109 1.00 23.54 N ATOM 192 CZ ARG A 95 0.901 -16.656 15.591 1.00 25.00 C ATOM 193 NH1 ARG A 95 1.739 -15.919 16.325 1.00 16.80 N ATOM 194 NH2 ARG A 95 1.193 -16.944 14.330 1.00 20.77 N ATOM 195 HA ARG A 95 -2.534 -19.426 19.980 1.00 0.00 H ATOM 196 HB2 ARG A 95 -0.011 -19.040 18.320 1.00 0.00 H ATOM 197 HB3 ARG A 95 -1.411 -20.001 17.789 1.00 0.00 H ATOM 198 HG2 ARG A 95 -2.314 -18.151 16.937 1.00 0.00 H ATOM 199 HG3 ARG A 95 -2.408 -17.464 18.575 1.00 0.00 H ATOM 200 HD2 ARG A 95 0.162 -16.987 18.152 1.00 0.00 H ATOM 201 HD3 ARG A 95 -1.093 -15.882 17.543 1.00 0.00 H ATOM 202 HE ARG A 95 -0.834 -17.702 15.494 1.00 0.00 H ATOM 203 HH12 ARG A 95 2.620 -15.560 15.905 1.00 0.00 H ATOM 204 HH11 ARG A 95 1.511 -15.704 17.317 1.00 0.00 H ATOM 205 HH22 ARG A 95 2.073 -16.587 13.905 1.00 0.00 H ATOM 206 HH21 ARG A 95 0.542 -17.527 13.766 1.00 0.00 H ATOM 207 H ARG A 95 0.093 -18.209 20.755 1.00 0.00 H ATOM 208 N THR A 96 0.035 -20.879 21.126 1.00 9.74 N ATOM 209 CA THR A 96 0.575 -22.175 21.507 1.00 13.49 C ATOM 210 C THR A 96 0.925 -22.235 23.002 1.00 13.08 C ATOM 211 O THR A 96 0.379 -21.477 23.796 1.00 14.31 O ATOM 212 CB THR A 96 1.766 -22.571 20.604 1.00 21.33 C ATOM 213 OG1 THR A 96 2.135 -23.938 20.846 1.00 24.78 O ATOM 214 CG2 THR A 96 2.961 -21.648 20.843 1.00 17.54 C ATOM 215 HA THR A 96 -0.207 -22.918 21.349 1.00 0.00 H ATOM 216 HB THR A 96 1.459 -22.466 19.563 1.00 0.00 H ATOM 217 HG1 THR A 96 2.898 -24.181 20.263 1.00 0.00 H ATOM 218 HG23 THR A 96 2.665 -20.616 20.655 1.00 0.00 H ATOM 219 HG21 THR A 96 3.296 -21.749 21.875 1.00 0.00 H ATOM 220 HG22 THR A 96 3.772 -21.923 20.168 1.00 0.00 H ATOM 221 H THR A 96 0.403 -20.009 21.560 1.00 0.00 H ATOM 222 N GLU A 97 1.828 -23.134 23.377 1.00 12.18 N ATOM 223 CA GLU A 97 2.121 -23.381 24.787 1.00 21.62 C ATOM 224 C GLU A 97 3.175 -22.446 25.388 1.00 18.52 C ATOM 225 O GLU A 97 3.292 -22.325 26.606 1.00 19.78 O ATOM 226 CB GLU A 97 2.564 -24.836 24.987 1.00 25.81 C ATOM 227 HA GLU A 97 1.190 -23.178 25.317 1.00 0.00 H ATOM 228 HB2 GLU A 97 1.766 -25.505 24.665 1.00 0.00 H ATOM 229 HB3 GLU A 97 3.460 -25.026 24.396 1.00 0.00 H ATOM 230 H GLU A 97 2.338 -23.675 22.650 1.00 0.00 H ATOM 231 N THR A 98 3.944 -21.789 24.537 1.00 11.62 N ATOM 232 CA THR A 98 5.136 -21.096 24.999 1.00 9.51 C ATOM 233 C THR A 98 5.028 -19.575 24.860 1.00 7.00 C ATOM 234 O THR A 98 5.875 -18.843 25.369 1.00 7.15 O ATOM 235 CB THR A 98 6.342 -21.548 24.179 1.00 8.53 C ATOM 236 OG1 THR A 98 6.063 -21.297 22.794 1.00 9.19 O ATOM 237 CG2 THR A 98 6.592 -23.053 24.378 1.00 7.12 C ATOM 238 HA THR A 98 5.248 -21.343 26.055 1.00 0.00 H ATOM 239 HB THR A 98 7.228 -21.001 24.501 1.00 0.00 H ATOM 240 HG1 THR A 98 6.836 -21.584 22.246 1.00 0.00 H ATOM 241 HG23 THR A 98 6.804 -23.249 25.429 1.00 0.00 H ATOM 242 HG21 THR A 98 5.706 -23.610 24.075 1.00 0.00 H ATOM 243 HG22 THR A 98 7.442 -23.362 23.770 1.00 0.00 H ATOM 244 H THR A 98 3.694 -21.768 23.528 1.00 0.00 H ATOM 245 N ASP A 99 4.006 -19.097 24.162 1.00 5.57 N ATOM 246 CA ASP A 99 3.908 -17.652 23.940 1.00 5.68 C ATOM 247 C ASP A 99 2.962 -16.963 24.916 1.00 7.33 C ATOM 248 O ASP A 99 2.058 -17.585 25.471 1.00 14.97 O ATOM 249 CB ASP A 99 3.593 -17.299 22.473 1.00 8.01 C ATOM 250 CG ASP A 99 2.327 -17.971 21.947 1.00 10.75 C ATOM 251 OD1 ASP A 99 1.907 -19.001 22.512 1.00 15.94 O ATOM 252 OD2 ASP A 99 1.757 -17.465 20.943 1.00 9.45 O ATOM 253 HA ASP A 99 4.900 -17.253 24.149 1.00 0.00 H ATOM 254 HB2 ASP A 99 3.469 -16.219 22.396 1.00 0.00 H ATOM 255 HB3 ASP A 99 4.434 -17.612 21.854 1.00 0.00 H ATOM 256 H ASP A 99 3.284 -19.739 23.778 1.00 0.00 H ATOM 257 N LEU A 100 3.181 -15.667 25.115 1.00 6.37 N ATOM 258 CA LEU A 100 2.457 -14.893 26.118 1.00 6.23 C ATOM 259 C LEU A 100 1.404 -13.992 25.462 1.00 8.27 C ATOM 260 O LEU A 100 1.714 -13.300 24.506 1.00 7.85 O ATOM 261 CB LEU A 100 3.464 -14.021 26.874 1.00 6.10 C ATOM 262 CG LEU A 100 2.913 -12.996 27.869 1.00 6.37 C ATOM 263 CD1 LEU A 100 2.253 -13.715 29.035 1.00 6.86 C ATOM 264 CD2 LEU A 100 4.010 -12.085 28.362 1.00 6.45 C ATOM 265 HA LEU A 100 1.947 -15.577 26.797 1.00 0.00 H ATOM 266 HB2 LEU A 100 4.123 -14.690 27.427 1.00 0.00 H ATOM 267 HB3 LEU A 100 4.044 -13.474 26.131 1.00 0.00 H ATOM 268 HG LEU A 100 2.168 -12.382 27.363 1.00 0.00 H ATOM 269 HD21 LEU A 100 4.778 -12.679 28.857 1.00 0.00 H ATOM 270 HD22 LEU A 100 4.448 -11.555 27.516 1.00 0.00 H ATOM 271 HD23 LEU A 100 3.594 -11.366 29.067 1.00 0.00 H ATOM 272 HD11 LEU A 100 1.436 -14.333 28.663 1.00 0.00 H ATOM 273 HD12 LEU A 100 2.989 -14.345 29.535 1.00 0.00 H ATOM 274 HD13 LEU A 100 1.863 -12.980 29.739 1.00 0.00 H ATOM 275 H LEU A 100 3.896 -15.186 24.533 1.00 0.00 H ATOM 276 N SER A 101 0.170 -13.992 25.973 1.00 2.55 N ATOM 277 CA SER A 101 -0.835 -13.026 25.549 1.00 3.92 C ATOM 278 C SER A 101 -0.637 -11.683 26.274 1.00 9.19 C ATOM 279 O SER A 101 -0.321 -11.661 27.465 1.00 10.08 O ATOM 280 CB SER A 101 -2.238 -13.550 25.859 1.00 10.38 C ATOM 281 OG SER A 101 -2.518 -14.745 25.158 1.00 15.93 O ATOM 282 HA SER A 101 -0.725 -12.878 24.475 1.00 0.00 H ATOM 283 HB2 SER A 101 -2.969 -12.793 25.573 1.00 0.00 H ATOM 284 HB3 SER A 101 -2.315 -13.742 26.929 1.00 0.00 H ATOM 285 HG SER A 101 -1.862 -15.440 25.417 1.00 0.00 H ATOM 286 H SER A 101 -0.080 -14.700 26.692 1.00 0.00 H ATOM 287 N PHE A 102 -0.840 -10.569 25.576 1.00 9.84 N ATOM 288 CA PHE A 102 -0.755 -9.251 26.229 1.00 7.96 C ATOM 289 C PHE A 102 -1.569 -8.208 25.462 1.00 11.23 C ATOM 290 O PHE A 102 -1.938 -8.424 24.314 1.00 10.20 O ATOM 291 CB PHE A 102 0.704 -8.793 26.376 1.00 5.06 C ATOM 292 CG PHE A 102 1.474 -8.802 25.090 1.00 2.29 C ATOM 293 CD1 PHE A 102 1.425 -7.715 24.231 1.00 9.13 C ATOM 294 CD2 PHE A 102 2.206 -9.917 24.714 1.00 3.11 C ATOM 295 CE1 PHE A 102 2.113 -7.720 23.044 1.00 3.11 C ATOM 296 CE2 PHE A 102 2.900 -9.932 23.521 1.00 10.82 C ATOM 297 CZ PHE A 102 2.854 -8.834 22.680 1.00 7.20 C ATOM 298 HA PHE A 102 -1.178 -9.352 27.228 1.00 0.00 H ATOM 299 HB2 PHE A 102 0.707 -7.777 26.772 1.00 0.00 H ATOM 300 HB3 PHE A 102 1.204 -9.458 27.081 1.00 0.00 H ATOM 301 HD2 PHE A 102 2.234 -10.790 25.366 1.00 0.00 H ATOM 302 HE2 PHE A 102 3.484 -10.809 23.241 1.00 0.00 H ATOM 303 HZ PHE A 102 3.398 -8.845 21.735 1.00 0.00 H ATOM 304 HE1 PHE A 102 2.077 -6.850 22.388 1.00 0.00 H ATOM 305 HD1 PHE A 102 0.831 -6.843 24.503 1.00 0.00 H ATOM 306 H PHE A 102 -1.060 -10.629 24.561 1.00 0.00 H ATOM 307 N LYS A 103 -1.855 -7.084 26.109 1.00 6.87 N ATOM 308 CA LYS A 103 -2.636 -6.027 25.477 1.00 13.86 C ATOM 309 C LYS A 103 -1.757 -4.812 25.190 1.00 12.99 C ATOM 310 O LYS A 103 -0.748 -4.598 25.855 1.00 9.11 O ATOM 311 CB LYS A 103 -3.807 -5.637 26.385 1.00 10.12 C ATOM 312 CG LYS A 103 -4.760 -6.799 26.689 1.00 10.76 C ATOM 313 HA LYS A 103 -3.029 -6.395 24.529 1.00 0.00 H ATOM 314 HB2 LYS A 103 -3.404 -5.265 27.327 1.00 0.00 H ATOM 315 HB3 LYS A 103 -4.374 -4.845 25.896 1.00 0.00 H ATOM 316 HG2 LYS A 103 -5.181 -7.175 25.757 1.00 0.00 H ATOM 317 HG3 LYS A 103 -4.211 -7.597 27.189 1.00 0.00 H ATOM 318 H LYS A 103 -1.516 -6.955 27.084 1.00 0.00 H ATOM 319 N LYS A 104 -2.140 -4.014 24.199 1.00 8.07 N ATOM 320 CA LYS A 104 -1.428 -2.778 23.925 1.00 5.69 C ATOM 321 C LYS A 104 -1.267 -1.980 25.225 1.00 11.68 C ATOM 322 O LYS A 104 -2.183 -1.924 26.041 1.00 11.16 O ATOM 323 CB LYS A 104 -2.171 -1.952 22.865 1.00 7.47 C ATOM 324 CG LYS A 104 -1.418 -0.706 22.418 1.00 16.51 C ATOM 325 CD LYS A 104 -2.093 -0.040 21.233 1.00 21.61 C ATOM 326 CE LYS A 104 -3.486 0.417 21.595 1.00 23.99 C ATOM 327 HA LYS A 104 -0.439 -3.014 23.531 1.00 0.00 H ATOM 328 HB2 LYS A 104 -2.340 -2.584 21.993 1.00 0.00 H ATOM 329 HB3 LYS A 104 -3.131 -1.644 23.280 1.00 0.00 H ATOM 330 HG2 LYS A 104 -1.380 0.001 23.247 1.00 0.00 H ATOM 331 HG3 LYS A 104 -0.404 -0.988 22.135 1.00 0.00 H ATOM 332 HD2 LYS A 104 -1.503 0.823 20.924 1.00 0.00 H ATOM 333 HD3 LYS A 104 -2.153 -0.752 20.409 1.00 0.00 H ATOM 334 HE2 LYS A 104 -4.081 -0.443 21.901 1.00 0.00 H ATOM 335 HE3 LYS A 104 -3.431 1.132 22.416 1.00 0.00 H ATOM 336 H LYS A 104 -2.958 -4.277 23.613 1.00 0.00 H ATOM 337 N GLY A 105 -0.101 -1.373 25.417 1.00 7.05 N ATOM 338 CA GLY A 105 0.169 -0.597 26.623 1.00 10.37 C ATOM 339 C GLY A 105 0.628 -1.403 27.827 1.00 11.75 C ATOM 340 O GLY A 105 1.032 -0.840 28.847 1.00 7.48 O ATOM 341 HA3 GLY A 105 -0.746 -0.073 26.898 1.00 0.00 H ATOM 342 HA2 GLY A 105 0.946 0.130 26.388 1.00 0.00 H ATOM 343 H GLY A 105 0.638 -1.453 24.690 1.00 0.00 H ATOM 344 N GLU A 106 0.561 -2.725 27.719 1.00 5.04 N ATOM 345 CA GLU A 106 1.032 -3.595 28.786 1.00 10.41 C ATOM 346 C GLU A 106 2.555 -3.500 28.899 1.00 12.04 C ATOM 347 O GLU A 106 3.253 -3.477 27.889 1.00 10.46 O ATOM 348 CB GLU A 106 0.573 -5.054 28.543 1.00 14.62 C ATOM 349 CG GLU A 106 0.802 -6.000 29.725 1.00 14.34 C ATOM 350 CD GLU A 106 -0.043 -7.286 29.667 1.00 19.92 C ATOM 351 OE1 GLU A 106 -1.158 -7.263 29.080 1.00 13.97 O ATOM 352 OE2 GLU A 106 0.410 -8.321 30.225 1.00 13.41 O ATOM 353 HA GLU A 106 0.598 -3.268 29.731 1.00 0.00 H ATOM 354 HB2 GLU A 106 -0.494 -5.042 28.318 1.00 0.00 H ATOM 355 HB3 GLU A 106 1.119 -5.444 27.684 1.00 0.00 H ATOM 356 HG2 GLU A 106 1.855 -6.281 29.741 1.00 0.00 H ATOM 357 HG3 GLU A 106 0.555 -5.468 30.644 1.00 0.00 H ATOM 358 H GLU A 106 0.164 -3.147 26.855 1.00 0.00 H ATOM 359 N ARG A 107 3.067 -3.436 30.127 1.00 6.68 N ATOM 360 CA ARG A 107 4.500 -3.308 30.341 1.00 6.14 C ATOM 361 C ARG A 107 5.167 -4.640 30.717 1.00 9.22 C ATOM 362 O ARG A 107 4.671 -5.399 31.564 1.00 6.99 O ATOM 363 CB ARG A 107 4.806 -2.205 31.355 1.00 7.53 C ATOM 364 CG ARG A 107 4.308 -0.833 30.891 1.00 8.69 C ATOM 365 CD ARG A 107 4.636 0.231 31.909 1.00 15.77 C ATOM 366 NE ARG A 107 6.051 0.567 31.867 1.00 16.70 N ATOM 367 CZ ARG A 107 6.700 1.193 32.837 1.00 20.41 C ATOM 368 NH1 ARG A 107 6.056 1.548 33.942 1.00 19.74 N ATOM 369 NH2 ARG A 107 7.990 1.461 32.702 1.00 22.18 N ATOM 370 HA ARG A 107 4.940 -3.015 29.388 1.00 0.00 H ATOM 371 HB2 ARG A 107 4.322 -2.453 32.300 1.00 0.00 H ATOM 372 HB3 ARG A 107 5.885 -2.155 31.504 1.00 0.00 H ATOM 373 HG2 ARG A 107 4.786 -0.581 29.944 1.00 0.00 H ATOM 374 HG3 ARG A 107 3.228 -0.873 30.752 1.00 0.00 H ATOM 375 HD2 ARG A 107 4.385 -0.136 32.904 1.00 0.00 H ATOM 376 HD3 ARG A 107 4.050 1.124 31.694 1.00 0.00 H ATOM 377 HE ARG A 107 6.589 0.298 31.019 1.00 0.00 H ATOM 378 HH12 ARG A 107 6.564 2.040 34.705 1.00 0.00 H ATOM 379 HH11 ARG A 107 5.043 1.335 34.045 1.00 0.00 H ATOM 380 HH22 ARG A 107 8.501 1.953 33.463 1.00 0.00 H ATOM 381 HH21 ARG A 107 8.492 1.180 31.835 1.00 0.00 H ATOM 382 H ARG A 107 2.430 -3.478 30.948 1.00 0.00 H ATOM 383 N LEU A 108 6.294 -4.908 30.065 1.00 3.84 N ATOM 384 CA LEU A 108 6.917 -6.228 30.105 1.00 5.94 C ATOM 385 C LEU A 108 8.375 -6.138 30.489 1.00 7.60 C ATOM 386 O LEU A 108 9.113 -5.289 29.978 1.00 8.30 O ATOM 387 CB LEU A 108 6.813 -6.887 28.727 1.00 5.90 C ATOM 388 CG LEU A 108 5.420 -6.888 28.108 1.00 7.92 C ATOM 389 CD1 LEU A 108 5.465 -7.330 26.644 1.00 17.63 C ATOM 390 CD2 LEU A 108 4.493 -7.774 28.924 1.00 12.21 C ATOM 391 HA LEU A 108 6.393 -6.821 30.854 1.00 0.00 H ATOM 392 HB2 LEU A 108 7.483 -6.358 28.049 1.00 0.00 H ATOM 393 HB3 LEU A 108 7.140 -7.922 28.823 1.00 0.00 H ATOM 394 HG LEU A 108 5.030 -5.870 28.124 1.00 0.00 H ATOM 395 HD21 LEU A 108 4.883 -8.792 28.936 1.00 0.00 H ATOM 396 HD22 LEU A 108 4.434 -7.394 29.944 1.00 0.00 H ATOM 397 HD23 LEU A 108 3.500 -7.769 28.475 1.00 0.00 H ATOM 398 HD11 LEU A 108 6.097 -6.645 26.078 1.00 0.00 H ATOM 399 HD12 LEU A 108 5.874 -8.338 26.583 1.00 0.00 H ATOM 400 HD13 LEU A 108 4.456 -7.320 26.232 1.00 0.00 H ATOM 401 H LEU A 108 6.746 -4.154 29.509 1.00 0.00 H ATOM 402 N GLN A 109 8.791 -7.025 31.385 1.00 3.72 N ATOM 403 CA GLN A 109 10.199 -7.168 31.717 1.00 3.07 C ATOM 404 C GLN A 109 10.863 -8.170 30.781 1.00 3.21 C ATOM 405 O GLN A 109 10.457 -9.332 30.707 1.00 6.65 O ATOM 406 CB GLN A 109 10.356 -7.621 33.159 1.00 4.59 C ATOM 407 CG GLN A 109 11.789 -7.975 33.539 1.00 11.09 C ATOM 408 CD GLN A 109 11.894 -8.441 34.976 1.00 16.47 C ATOM 409 OE1 GLN A 109 11.585 -7.690 35.904 1.00 15.66 O ATOM 410 NE2 GLN A 109 12.334 -9.683 35.170 1.00 20.17 N ATOM 411 HA GLN A 109 10.684 -6.199 31.597 1.00 0.00 H ATOM 412 HB2 GLN A 109 10.016 -6.817 33.811 1.00 0.00 H ATOM 413 HB3 GLN A 109 9.732 -8.501 33.313 1.00 0.00 H ATOM 414 HG2 GLN A 109 12.141 -8.771 32.883 1.00 0.00 H ATOM 415 HG3 GLN A 109 12.417 -7.094 33.407 1.00 0.00 H ATOM 416 HE22 GLN A 109 12.583 -10.280 34.355 1.00 0.00 H ATOM 417 HE21 GLN A 109 12.429 -10.056 36.136 1.00 0.00 H ATOM 418 H GLN A 109 8.093 -7.632 31.861 1.00 0.00 H ATOM 419 N ILE A 110 11.895 -7.733 30.071 1.00 2.84 N ATOM 420 CA ILE A 110 12.559 -8.614 29.110 1.00 2.04 C ATOM 421 C ILE A 110 14.068 -8.500 29.270 1.00 8.86 C ATOM 422 O ILE A 110 14.690 -7.634 28.672 1.00 7.36 O ATOM 423 CB ILE A 110 12.174 -8.262 27.648 1.00 4.95 C ATOM 424 CG1 ILE A 110 10.661 -8.127 27.500 1.00 6.60 C ATOM 425 CG2 ILE A 110 12.702 -9.313 26.690 1.00 5.87 C ATOM 426 CD1 ILE A 110 10.182 -7.975 26.023 1.00 4.72 C ATOM 427 HA ILE A 110 12.232 -9.634 29.313 1.00 0.00 H ATOM 428 HB ILE A 110 12.630 -7.303 27.402 1.00 0.00 H ATOM 429 HG12 ILE A 110 10.194 -9.016 27.923 1.00 0.00 H ATOM 430 HG13 ILE A 110 10.338 -7.248 28.058 1.00 0.00 H ATOM 431 HD11 ILE A 110 10.631 -7.082 25.587 1.00 0.00 H ATOM 432 HD12 ILE A 110 10.486 -8.852 25.452 1.00 0.00 H ATOM 433 HD13 ILE A 110 9.096 -7.885 26.002 1.00 0.00 H ATOM 434 HG21 ILE A 110 13.788 -9.361 26.768 1.00 0.00 H ATOM 435 HG22 ILE A 110 12.275 -10.283 26.945 1.00 0.00 H ATOM 436 HG23 ILE A 110 12.421 -9.048 25.671 1.00 0.00 H ATOM 437 H ILE A 110 12.234 -6.758 30.198 1.00 0.00 H ATOM 438 N VAL A 111 14.663 -9.377 30.072 1.00 7.78 N ATOM 439 CA VAL A 111 16.079 -9.220 30.408 1.00 10.56 C ATOM 440 C VAL A 111 17.040 -9.662 29.305 1.00 14.90 C ATOM 441 O VAL A 111 18.163 -9.167 29.226 1.00 11.18 O ATOM 442 CB VAL A 111 16.432 -9.916 31.737 1.00 17.10 C ATOM 443 CG1 VAL A 111 15.529 -9.399 32.844 1.00 21.49 C ATOM 444 CG2 VAL A 111 16.312 -11.430 31.596 1.00 14.24 C ATOM 445 HA VAL A 111 16.218 -8.145 30.521 1.00 0.00 H ATOM 446 HB VAL A 111 17.465 -9.686 31.996 1.00 0.00 H ATOM 447 HG11 VAL A 111 15.668 -8.323 32.952 1.00 0.00 H ATOM 448 HG12 VAL A 111 14.490 -9.609 32.591 1.00 0.00 H ATOM 449 HG13 VAL A 111 15.784 -9.895 33.781 1.00 0.00 H ATOM 450 HG21 VAL A 111 15.289 -11.688 31.321 1.00 0.00 H ATOM 451 HG22 VAL A 111 16.996 -11.777 30.822 1.00 0.00 H ATOM 452 HG23 VAL A 111 16.565 -11.903 32.545 1.00 0.00 H ATOM 453 H VAL A 111 14.122 -10.175 30.461 1.00 0.00 H ATOM 454 N ASN A 112 16.603 -10.592 28.459 1.00 17.81 N ATOM 455 CA ASN A 112 17.404 -11.046 27.319 1.00 18.83 C ATOM 456 C ASN A 112 16.704 -10.773 25.981 1.00 16.23 C ATOM 457 O ASN A 112 15.758 -11.471 25.609 1.00 19.39 O ATOM 458 CB ASN A 112 17.724 -12.539 27.455 1.00 22.61 C ATOM 459 CG ASN A 112 18.556 -12.844 28.695 1.00 32.58 C ATOM 460 OD1 ASN A 112 18.210 -13.723 29.491 1.00 29.42 O ATOM 461 ND2 ASN A 112 19.655 -12.106 28.871 1.00 31.83 N ATOM 462 HA ASN A 112 18.334 -10.477 27.325 1.00 0.00 H ATOM 463 HB2 ASN A 112 16.788 -13.094 27.516 1.00 0.00 H ATOM 464 HB3 ASN A 112 18.278 -12.860 26.573 1.00 0.00 H ATOM 465 HD22 ASN A 112 19.908 -11.376 28.175 1.00 0.00 H ATOM 466 HD21 ASN A 112 20.258 -12.261 29.704 1.00 0.00 H ATOM 467 H ASN A 112 15.663 -11.010 28.612 1.00 0.00 H ATOM 468 N ASN A 113 17.172 -9.755 25.263 1.00 18.84 N ATOM 469 CA ASN A 113 16.517 -9.316 24.030 1.00 17.47 C ATOM 470 C ASN A 113 17.502 -9.017 22.901 1.00 23.62 C ATOM 471 O ASN A 113 17.282 -8.105 22.102 1.00 24.67 O ATOM 472 CB ASN A 113 15.677 -8.067 24.309 1.00 16.48 C ATOM 473 CG ASN A 113 16.484 -6.962 24.988 1.00 23.89 C ATOM 474 OD1 ASN A 113 17.275 -6.268 24.339 1.00 23.38 O ATOM 475 ND2 ASN A 113 16.284 -6.794 26.302 1.00 16.02 N ATOM 476 HA ASN A 113 15.887 -10.141 23.699 1.00 0.00 H ATOM 477 HB2 ASN A 113 15.289 -7.687 23.364 1.00 0.00 H ATOM 478 HB3 ASN A 113 14.845 -8.342 24.957 1.00 0.00 H ATOM 479 HD22 ASN A 113 15.608 -7.402 26.807 1.00 0.00 H ATOM 480 HD21 ASN A 113 16.805 -6.056 26.817 1.00 0.00 H ATOM 481 H ASN A 113 18.026 -9.258 25.587 1.00 0.00 H ATOM 482 N THR A 114 18.591 -9.774 22.839 1.00 31.34 N ATOM 483 CA THR A 114 19.626 -9.507 21.845 1.00 38.60 C ATOM 484 C THR A 114 19.246 -10.057 20.470 1.00 48.17 C ATOM 485 O THR A 114 19.249 -9.323 19.480 1.00 57.82 O ATOM 486 CB THR A 114 21.016 -10.055 22.278 1.00 31.89 C ATOM 487 OG1 THR A 114 21.526 -9.285 23.382 1.00 23.72 O ATOM 488 CG2 THR A 114 22.008 -9.981 21.115 1.00 30.58 C ATOM 489 HA THR A 114 19.704 -8.422 21.772 1.00 0.00 H ATOM 490 HB THR A 114 20.895 -11.095 22.580 1.00 0.00 H ATOM 491 HG1 THR A 114 22.410 -9.641 23.650 1.00 0.00 H ATOM 492 HG23 THR A 114 21.626 -10.563 20.276 1.00 0.00 H ATOM 493 HG21 THR A 114 22.133 -8.942 20.811 1.00 0.00 H ATOM 494 HG22 THR A 114 22.969 -10.386 21.432 1.00 0.00 H ATOM 495 H THR A 114 18.708 -10.564 23.505 1.00 0.00 H ATOM 496 N GLU A 115 18.905 -11.340 20.409 1.00 40.52 N ATOM 497 CA GLU A 115 18.631 -11.978 19.127 1.00 41.53 C ATOM 498 C GLU A 115 17.327 -12.775 19.136 1.00 37.28 C ATOM 499 O GLU A 115 16.770 -13.060 20.201 1.00 34.43 O ATOM 500 CB GLU A 115 19.798 -12.885 18.721 1.00 45.83 C ATOM 501 HA GLU A 115 18.517 -11.179 18.394 1.00 0.00 H ATOM 502 HB2 GLU A 115 20.707 -12.289 18.635 1.00 0.00 H ATOM 503 HB3 GLU A 115 19.938 -13.656 19.479 1.00 0.00 H ATOM 504 H GLU A 115 18.833 -11.895 21.285 1.00 0.00 H ATOM 505 N GLY A 116 16.850 -13.118 17.940 1.00 23.69 N ATOM 506 CA GLY A 116 15.669 -13.948 17.778 1.00 17.60 C ATOM 507 C GLY A 116 14.404 -13.173 17.462 1.00 14.64 C ATOM 508 O GLY A 116 14.324 -11.978 17.727 1.00 15.18 O ATOM 509 HA3 GLY A 116 15.509 -14.501 18.704 1.00 0.00 H ATOM 510 HA2 GLY A 116 15.853 -14.650 16.964 1.00 0.00 H ATOM 511 H GLY A 116 17.342 -12.778 17.089 1.00 0.00 H ATOM 512 N ASP A 117 13.411 -13.866 16.900 1.00 11.47 N ATOM 513 CA ASP A 117 12.096 -13.285 16.644 1.00 12.33 C ATOM 514 C ASP A 117 11.222 -13.317 17.889 1.00 12.27 C ATOM 515 O ASP A 117 10.203 -12.638 17.957 1.00 12.02 O ATOM 516 CB ASP A 117 11.386 -14.044 15.517 1.00 8.41 C ATOM 517 CG ASP A 117 12.090 -13.894 14.183 1.00 19.40 C ATOM 518 OD1 ASP A 117 12.989 -13.036 14.095 1.00 21.81 O ATOM 519 OD2 ASP A 117 11.746 -14.633 13.229 1.00 28.99 O ATOM 520 HA ASP A 117 12.252 -12.247 16.350 1.00 0.00 H ATOM 521 HB2 ASP A 117 11.350 -15.102 15.776 1.00 0.00 H ATOM 522 HB3 ASP A 117 10.371 -13.660 15.422 1.00 0.00 H ATOM 523 H ASP A 117 13.580 -14.857 16.634 1.00 0.00 H ATOM 524 N TRP A 118 11.606 -14.142 18.855 1.00 7.00 N ATOM 525 CA TRP A 118 10.829 -14.311 20.079 1.00 2.10 C ATOM 526 C TRP A 118 11.697 -14.034 21.305 1.00 3.92 C ATOM 527 O TRP A 118 12.804 -14.534 21.398 1.00 5.09 O ATOM 528 CB TRP A 118 10.279 -15.744 20.131 1.00 7.76 C ATOM 529 CG TRP A 118 9.272 -15.984 19.039 1.00 9.13 C ATOM 530 CD1 TRP A 118 9.510 -16.454 17.769 1.00 8.83 C ATOM 531 CD2 TRP A 118 7.873 -15.720 19.114 1.00 10.33 C ATOM 532 NE1 TRP A 118 8.328 -16.510 17.054 1.00 7.99 N ATOM 533 CE2 TRP A 118 7.309 -16.066 17.860 1.00 10.92 C ATOM 534 CE3 TRP A 118 7.036 -15.235 20.124 1.00 4.72 C ATOM 535 CZ2 TRP A 118 5.952 -15.936 17.598 1.00 8.30 C ATOM 536 CZ3 TRP A 118 5.699 -15.116 19.870 1.00 2.71 C ATOM 537 CH2 TRP A 118 5.161 -15.457 18.612 1.00 7.33 C ATOM 538 HA TRP A 118 10.001 -13.602 20.081 1.00 0.00 H ATOM 539 HB2 TRP A 118 11.105 -16.446 20.013 1.00 0.00 H ATOM 540 HB3 TRP A 118 9.801 -15.906 21.097 1.00 0.00 H ATOM 541 HE1 TRP A 118 8.228 -16.834 16.071 1.00 0.00 H ATOM 542 HD1 TRP A 118 10.488 -16.741 17.382 1.00 0.00 H ATOM 543 HZ2 TRP A 118 5.533 -16.203 16.628 1.00 0.00 H ATOM 544 HH2 TRP A 118 4.091 -15.337 18.441 1.00 0.00 H ATOM 545 HZ3 TRP A 118 5.036 -14.751 20.654 1.00 0.00 H ATOM 546 HE3 TRP A 118 7.443 -14.957 21.096 1.00 0.00 H ATOM 547 H TRP A 118 12.486 -14.684 18.736 1.00 0.00 H ATOM 548 N TRP A 119 11.176 -13.258 22.250 1.00 3.46 N ATOM 549 CA TRP A 119 11.900 -12.908 23.474 1.00 3.26 C ATOM 550 C TRP A 119 11.098 -13.335 24.691 1.00 2.03 C ATOM 551 O TRP A 119 9.882 -13.171 24.709 1.00 4.10 O ATOM 552 CB TRP A 119 12.080 -11.383 23.563 1.00 5.42 C ATOM 553 CG TRP A 119 12.977 -10.781 22.532 1.00 4.70 C ATOM 554 CD1 TRP A 119 13.876 -11.431 21.738 1.00 9.77 C ATOM 555 CD2 TRP A 119 13.092 -9.385 22.215 1.00 7.46 C ATOM 556 NE1 TRP A 119 14.530 -10.520 20.925 1.00 9.04 N ATOM 557 CE2 TRP A 119 14.069 -9.262 21.208 1.00 5.52 C ATOM 558 CE3 TRP A 119 12.454 -8.230 22.681 1.00 12.10 C ATOM 559 CZ2 TRP A 119 14.427 -8.029 20.658 1.00 11.81 C ATOM 560 CZ3 TRP A 119 12.809 -7.007 22.130 1.00 11.03 C ATOM 561 CH2 TRP A 119 13.787 -6.918 21.130 1.00 8.60 C ATOM 562 HA TRP A 119 12.867 -13.411 23.449 1.00 0.00 H ATOM 563 HB2 TRP A 119 11.097 -10.922 23.464 1.00 0.00 H ATOM 564 HB3 TRP A 119 12.492 -11.150 24.545 1.00 0.00 H ATOM 565 HE1 TRP A 119 15.253 -10.753 20.215 1.00 0.00 H ATOM 566 HD1 TRP A 119 14.053 -12.506 21.743 1.00 0.00 H ATOM 567 HZ2 TRP A 119 15.188 -7.956 19.881 1.00 0.00 H ATOM 568 HH2 TRP A 119 14.043 -5.941 20.720 1.00 0.00 H ATOM 569 HZ3 TRP A 119 12.318 -6.099 22.481 1.00 0.00 H ATOM 570 HE3 TRP A 119 11.694 -8.290 23.460 1.00 0.00 H ATOM 571 H TRP A 119 10.215 -12.884 22.115 1.00 0.00 H ATOM 572 N LEU A 120 11.763 -13.866 25.714 1.00 2.07 N ATOM 573 CA LEU A 120 11.057 -14.249 26.932 1.00 6.51 C ATOM 574 C LEU A 120 10.661 -13.000 27.718 1.00 3.55 C ATOM 575 O LEU A 120 11.498 -12.172 28.063 1.00 4.91 O ATOM 576 CB LEU A 120 11.904 -15.187 27.802 1.00 5.36 C ATOM 577 CG LEU A 120 11.138 -15.675 29.036 1.00 8.31 C ATOM 578 CD1 LEU A 120 10.108 -16.711 28.616 1.00 6.76 C ATOM 579 CD2 LEU A 120 12.093 -16.249 30.090 1.00 2.32 C ATOM 580 HA LEU A 120 10.156 -14.792 26.646 1.00 0.00 H ATOM 581 HB2 LEU A 120 12.198 -16.051 27.206 1.00 0.00 H ATOM 582 HB3 LEU A 120 12.796 -14.653 28.130 1.00 0.00 H ATOM 583 HG LEU A 120 10.626 -14.827 29.490 1.00 0.00 H ATOM 584 HD21 LEU A 120 12.639 -17.090 29.664 1.00 0.00 H ATOM 585 HD22 LEU A 120 12.797 -15.477 30.400 1.00 0.00 H ATOM 586 HD23 LEU A 120 11.519 -16.587 30.953 1.00 0.00 H ATOM 587 HD11 LEU A 120 9.411 -16.262 27.909 1.00 0.00 H ATOM 588 HD12 LEU A 120 10.614 -17.554 28.145 1.00 0.00 H ATOM 589 HD13 LEU A 120 9.564 -17.057 29.495 1.00 0.00 H ATOM 590 H LEU A 120 12.791 -14.009 25.645 1.00 0.00 H ATOM 591 N ALA A 121 9.379 -12.881 28.010 1.00 7.32 N ATOM 592 CA ALA A 121 8.842 -11.668 28.604 1.00 8.37 C ATOM 593 C ALA A 121 8.036 -11.983 29.854 1.00 8.91 C ATOM 594 O ALA A 121 7.304 -12.970 29.897 1.00 4.56 O ATOM 595 CB ALA A 121 7.964 -10.950 27.586 1.00 2.03 C ATOM 596 HA ALA A 121 9.673 -11.024 28.891 1.00 0.00 H ATOM 597 HB1 ALA A 121 8.560 -10.694 26.710 1.00 0.00 H ATOM 598 HB2 ALA A 121 7.144 -11.604 27.290 1.00 0.00 H ATOM 599 HB3 ALA A 121 7.562 -10.041 28.032 1.00 0.00 H ATOM 600 H ALA A 121 8.738 -13.675 27.810 1.00 0.00 H ATOM 601 N HIS A 122 8.167 -11.132 30.867 1.00 5.80 N ATOM 602 CA HIS A 122 7.395 -11.280 32.085 1.00 4.46 C ATOM 603 C HIS A 122 6.503 -10.061 32.235 1.00 5.95 C ATOM 604 O HIS A 122 6.993 -8.937 32.241 1.00 3.79 O ATOM 605 CB HIS A 122 8.339 -11.397 33.279 1.00 2.72 C ATOM 606 CG HIS A 122 7.635 -11.513 34.592 1.00 10.52 C ATOM 607 ND1 HIS A 122 6.844 -12.590 34.910 1.00 7.17 N ATOM 608 CD2 HIS A 122 7.618 -10.697 35.674 1.00 9.29 C ATOM 609 CE1 HIS A 122 6.360 -12.434 36.131 1.00 14.74 C ATOM 610 NE2 HIS A 122 6.813 -11.295 36.616 1.00 10.55 N ATOM 611 HA HIS A 122 6.783 -12.181 32.041 1.00 0.00 H ATOM 612 HB2 HIS A 122 8.960 -12.282 33.142 1.00 0.00 H ATOM 613 HB3 HIS A 122 8.973 -10.511 33.305 1.00 0.00 H ATOM 614 HD2 HIS A 122 8.143 -9.747 35.778 1.00 0.00 H ATOM 615 HE1 HIS A 122 5.699 -13.129 36.648 1.00 0.00 H ATOM 616 H HIS A 122 8.839 -10.342 30.784 1.00 0.00 H ATOM 617 N SER A 123 5.195 -10.270 32.348 1.00 2.39 N ATOM 618 CA SER A 123 4.271 -9.131 32.426 1.00 11.15 C ATOM 619 C SER A 123 4.210 -8.530 33.821 1.00 10.06 C ATOM 620 O SER A 123 3.913 -9.219 34.787 1.00 8.89 O ATOM 621 CB SER A 123 2.861 -9.518 31.978 1.00 4.24 C ATOM 622 OG SER A 123 1.949 -8.478 32.277 1.00 9.66 O ATOM 623 HA SER A 123 4.667 -8.377 31.746 1.00 0.00 H ATOM 624 HB2 SER A 123 2.555 -10.426 32.497 1.00 0.00 H ATOM 625 HB3 SER A 123 2.862 -9.698 30.903 1.00 0.00 H ATOM 626 HG SER A 123 1.041 -8.742 31.982 1.00 0.00 H ATOM 627 H SER A 123 4.825 -11.242 32.381 1.00 0.00 H ATOM 628 N LEU A 124 4.458 -7.230 33.910 1.00 11.10 N ATOM 629 CA LEU A 124 4.449 -6.538 35.196 1.00 14.37 C ATOM 630 C LEU A 124 3.023 -6.316 35.695 1.00 24.28 C ATOM 631 O LEU A 124 2.814 -5.930 36.847 1.00 32.95 O ATOM 632 CB LEU A 124 5.192 -5.205 35.077 1.00 16.68 C ATOM 633 CG LEU A 124 6.660 -5.363 34.691 1.00 13.95 C ATOM 634 CD1 LEU A 124 7.286 -4.008 34.400 1.00 15.09 C ATOM 635 CD2 LEU A 124 7.413 -6.090 35.802 1.00 14.15 C ATOM 636 HA LEU A 124 4.960 -7.165 35.926 1.00 0.00 H ATOM 637 HB2 LEU A 124 4.698 -4.600 34.317 1.00 0.00 H ATOM 638 HB3 LEU A 124 5.140 -4.693 36.038 1.00 0.00 H ATOM 639 HG LEU A 124 6.726 -5.960 33.781 1.00 0.00 H ATOM 640 HD21 LEU A 124 7.343 -5.513 36.724 1.00 0.00 H ATOM 641 HD22 LEU A 124 6.972 -7.075 35.954 1.00 0.00 H ATOM 642 HD23 LEU A 124 8.460 -6.199 35.519 1.00 0.00 H ATOM 643 HD11 LEU A 124 6.753 -3.532 33.577 1.00 0.00 H ATOM 644 HD12 LEU A 124 7.220 -3.380 35.289 1.00 0.00 H ATOM 645 HD13 LEU A 124 8.332 -4.144 34.127 1.00 0.00 H ATOM 646 H LEU A 124 4.663 -6.691 33.044 1.00 0.00 H ATOM 647 N SER A 125 2.043 -6.561 34.828 1.00 19.34 N ATOM 648 CA SER A 125 0.641 -6.523 35.234 1.00 20.80 C ATOM 649 C SER A 125 0.141 -7.883 35.728 1.00 16.97 C ATOM 650 O SER A 125 -0.223 -8.048 36.893 1.00 17.78 O ATOM 651 CB SER A 125 -0.246 -6.056 34.079 1.00 21.72 C ATOM 652 OG SER A 125 -0.242 -4.644 33.985 1.00 34.10 O ATOM 653 HA SER A 125 0.579 -5.815 36.060 1.00 0.00 H ATOM 654 HB2 SER A 125 -1.266 -6.401 34.249 1.00 0.00 H ATOM 655 HB3 SER A 125 0.128 -6.478 33.146 1.00 0.00 H ATOM 656 HG SER A 125 0.683 -4.328 33.827 1.00 0.00 H ATOM 657 H SER A 125 2.281 -6.784 33.841 1.00 0.00 H ATOM 658 N THR A 126 0.113 -8.851 34.822 1.00 13.41 N ATOM 659 CA THR A 126 -0.539 -10.120 35.088 1.00 12.86 C ATOM 660 C THR A 126 0.353 -11.120 35.824 1.00 14.49 C ATOM 661 O THR A 126 -0.153 -12.057 36.450 1.00 10.70 O ATOM 662 CB THR A 126 -1.015 -10.766 33.790 1.00 13.41 C ATOM 663 OG1 THR A 126 0.133 -11.166 33.032 1.00 11.37 O ATOM 664 CG2 THR A 126 -1.871 -9.770 32.962 1.00 5.97 C ATOM 665 HA THR A 126 -1.383 -9.882 35.735 1.00 0.00 H ATOM 666 HB THR A 126 -1.634 -11.632 34.023 1.00 0.00 H ATOM 667 HG1 THR A 126 -0.162 -11.587 32.186 1.00 0.00 H ATOM 668 HG23 THR A 126 -2.742 -9.470 33.544 1.00 0.00 H ATOM 669 HG21 THR A 126 -1.273 -8.891 32.722 1.00 0.00 H ATOM 670 HG22 THR A 126 -2.197 -10.252 32.040 1.00 0.00 H ATOM 671 H THR A 126 0.569 -8.697 33.900 1.00 0.00 H ATOM 672 N GLY A 127 1.670 -10.931 35.741 1.00 12.47 N ATOM 673 CA GLY A 127 2.609 -11.871 36.349 1.00 13.55 C ATOM 674 C GLY A 127 2.821 -13.095 35.468 1.00 11.71 C ATOM 675 O GLY A 127 3.496 -14.058 35.835 1.00 8.69 O ATOM 676 HA3 GLY A 127 2.215 -12.192 37.313 1.00 0.00 H ATOM 677 HA2 GLY A 127 3.566 -11.371 36.497 1.00 0.00 H ATOM 678 H GLY A 127 2.036 -10.100 35.234 1.00 0.00 H ATOM 679 N GLN A 128 2.244 -13.054 34.277 1.00 9.61 N ATOM 680 CA GLN A 128 2.401 -14.153 33.331 1.00 10.09 C ATOM 681 C GLN A 128 3.691 -14.005 32.537 1.00 5.26 C ATOM 682 O GLN A 128 4.206 -12.900 32.366 1.00 8.12 O ATOM 683 CB GLN A 128 1.187 -14.227 32.402 1.00 15.33 C ATOM 684 CG GLN A 128 -0.103 -14.573 33.150 1.00 18.76 C ATOM 685 CD GLN A 128 -1.292 -14.744 32.227 1.00 35.23 C ATOM 686 OE1 GLN A 128 -1.137 -14.878 31.012 1.00 38.57 O ATOM 687 NE2 GLN A 128 -2.493 -14.739 32.802 1.00 43.90 N ATOM 688 HA GLN A 128 2.463 -15.087 33.890 1.00 0.00 H ATOM 689 HB2 GLN A 128 1.060 -13.260 31.914 1.00 0.00 H ATOM 690 HB3 GLN A 128 1.370 -14.992 31.647 1.00 0.00 H ATOM 691 HG2 GLN A 128 0.050 -15.504 33.696 1.00 0.00 H ATOM 692 HG3 GLN A 128 -0.322 -13.771 33.855 1.00 0.00 H ATOM 693 HE22 GLN A 128 -2.576 -14.623 33.832 1.00 0.00 H ATOM 694 HE21 GLN A 128 -3.348 -14.851 32.221 1.00 0.00 H ATOM 695 H GLN A 128 1.671 -12.227 34.013 1.00 0.00 H ATOM 696 N THR A 129 4.217 -15.125 32.054 1.00 3.73 N ATOM 697 CA THR A 129 5.535 -15.141 31.445 1.00 2.38 C ATOM 698 C THR A 129 5.520 -16.023 30.213 1.00 5.44 C ATOM 699 O THR A 129 4.947 -17.106 30.231 1.00 5.63 O ATOM 700 CB THR A 129 6.554 -15.714 32.459 1.00 10.85 C ATOM 701 OG1 THR A 129 6.398 -15.032 33.705 1.00 7.66 O ATOM 702 CG2 THR A 129 7.977 -15.540 31.967 1.00 4.78 C ATOM 703 HA THR A 129 5.814 -14.126 31.163 1.00 0.00 H ATOM 704 HB THR A 129 6.364 -16.781 32.579 1.00 0.00 H ATOM 705 HG1 THR A 129 5.477 -15.168 34.041 1.00 0.00 H ATOM 706 HG23 THR A 129 8.098 -16.060 31.017 1.00 0.00 H ATOM 707 HG21 THR A 129 8.186 -14.479 31.831 1.00 0.00 H ATOM 708 HG22 THR A 129 8.667 -15.957 32.701 1.00 0.00 H ATOM 709 H THR A 129 3.673 -16.009 32.113 1.00 0.00 H ATOM 710 N GLY A 130 6.166 -15.579 29.144 1.00 2.75 N ATOM 711 CA GLY A 130 6.204 -16.370 27.928 1.00 2.61 C ATOM 712 C GLY A 130 6.891 -15.610 26.823 1.00 5.28 C ATOM 713 O GLY A 130 7.298 -14.465 27.020 1.00 3.32 O ATOM 714 HA3 GLY A 130 5.185 -16.606 27.621 1.00 0.00 H ATOM 715 HA2 GLY A 130 6.748 -17.295 28.119 1.00 0.00 H ATOM 716 H GLY A 130 6.648 -14.658 29.177 1.00 0.00 H ATOM 717 N TYR A 131 7.037 -16.243 25.670 1.00 2.22 N ATOM 718 CA TYR A 131 7.701 -15.591 24.555 1.00 8.10 C ATOM 719 C TYR A 131 6.753 -14.639 23.843 1.00 4.23 C ATOM 720 O TYR A 131 5.560 -14.905 23.736 1.00 2.20 O ATOM 721 CB TYR A 131 8.275 -16.629 23.591 1.00 2.20 C ATOM 722 CG TYR A 131 9.470 -17.352 24.175 1.00 7.49 C ATOM 723 CD1 TYR A 131 10.757 -16.886 23.975 1.00 5.71 C ATOM 724 CD2 TYR A 131 9.301 -18.508 24.935 1.00 9.93 C ATOM 725 CE1 TYR A 131 11.847 -17.540 24.524 1.00 3.77 C ATOM 726 CE2 TYR A 131 10.373 -19.171 25.471 1.00 4.77 C ATOM 727 CZ TYR A 131 11.643 -18.690 25.267 1.00 7.62 C ATOM 728 OH TYR A 131 12.712 -19.373 25.809 1.00 13.48 O ATOM 729 HA TYR A 131 8.530 -15.001 24.945 1.00 0.00 H ATOM 730 HB3 TYR A 131 8.582 -16.125 22.675 1.00 0.00 H ATOM 731 HB2 TYR A 131 7.500 -17.360 23.360 1.00 0.00 H ATOM 732 HD2 TYR A 131 8.295 -18.892 25.106 1.00 0.00 H ATOM 733 HE2 TYR A 131 10.219 -20.077 26.057 1.00 0.00 H ATOM 734 HE1 TYR A 131 12.855 -17.153 24.373 1.00 0.00 H ATOM 735 HD1 TYR A 131 10.916 -15.990 23.376 1.00 0.00 H ATOM 736 HH TYR A 131 13.553 -18.906 25.576 1.00 0.00 H ATOM 737 H TYR A 131 6.675 -17.212 25.562 1.00 0.00 H ATOM 738 N ILE A 132 7.298 -13.526 23.370 1.00 5.77 N ATOM 739 CA ILE A 132 6.527 -12.512 22.673 1.00 3.69 C ATOM 740 C ILE A 132 7.308 -12.143 21.425 1.00 5.35 C ATOM 741 O ILE A 132 8.526 -12.316 21.395 1.00 6.20 O ATOM 742 CB ILE A 132 6.343 -11.257 23.550 1.00 6.25 C ATOM 743 CG1 ILE A 132 7.699 -10.625 23.899 1.00 12.79 C ATOM 744 CG2 ILE A 132 5.643 -11.626 24.854 1.00 7.12 C ATOM 745 CD1 ILE A 132 8.188 -9.560 22.917 1.00 15.80 C ATOM 746 HA ILE A 132 5.536 -12.896 22.431 1.00 0.00 H ATOM 747 HB ILE A 132 5.743 -10.545 22.983 1.00 0.00 H ATOM 748 HG12 ILE A 132 7.614 -10.164 24.883 1.00 0.00 H ATOM 749 HG13 ILE A 132 8.444 -11.420 23.934 1.00 0.00 H ATOM 750 HD11 ILE A 132 8.295 -10.003 21.927 1.00 0.00 H ATOM 751 HD12 ILE A 132 7.465 -8.746 22.876 1.00 0.00 H ATOM 752 HD13 ILE A 132 9.152 -9.175 23.250 1.00 0.00 H ATOM 753 HG21 ILE A 132 4.665 -12.054 24.632 1.00 0.00 H ATOM 754 HG22 ILE A 132 6.246 -12.355 25.395 1.00 0.00 H ATOM 755 HG23 ILE A 132 5.519 -10.731 25.464 1.00 0.00 H ATOM 756 H ILE A 132 8.318 -13.374 23.504 1.00 0.00 H ATOM 757 N PRO A 133 6.612 -11.637 20.389 1.00 6.87 N ATOM 758 CA PRO A 133 7.284 -11.246 19.144 1.00 7.40 C ATOM 759 C PRO A 133 8.144 -10.004 19.373 1.00 12.70 C ATOM 760 O PRO A 133 7.663 -9.009 19.926 1.00 13.29 O ATOM 761 CB PRO A 133 6.115 -10.918 18.193 1.00 6.24 C ATOM 762 CG PRO A 133 4.868 -11.346 18.904 1.00 7.64 C ATOM 763 CD PRO A 133 5.165 -11.352 20.351 1.00 7.46 C ATOM 764 HA PRO A 133 7.948 -12.018 18.756 1.00 0.00 H ATOM 765 HD3 PRO A 133 4.944 -10.384 20.801 1.00 0.00 H ATOM 766 HD2 PRO A 133 4.598 -12.129 20.865 1.00 0.00 H ATOM 767 HG3 PRO A 133 4.577 -12.345 18.579 1.00 0.00 H ATOM 768 HG2 PRO A 133 4.059 -10.647 18.692 1.00 0.00 H ATOM 769 HB2 PRO A 133 6.084 -9.848 17.986 1.00 0.00 H ATOM 770 HB3 PRO A 133 6.224 -11.465 17.257 1.00 0.00 H ATOM 771 N SER A 134 9.402 -10.061 18.948 1.00 7.47 N ATOM 772 CA SER A 134 10.359 -8.994 19.227 1.00 6.01 C ATOM 773 C SER A 134 9.894 -7.650 18.675 1.00 9.87 C ATOM 774 O SER A 134 10.193 -6.597 19.245 1.00 11.19 O ATOM 775 CB SER A 134 11.732 -9.349 18.644 1.00 9.86 C ATOM 776 OG SER A 134 11.664 -9.494 17.232 1.00 20.41 O ATOM 777 HA SER A 134 10.434 -8.900 20.310 1.00 0.00 H ATOM 778 HB2 SER A 134 12.074 -10.286 19.083 1.00 0.00 H ATOM 779 HB3 SER A 134 12.439 -8.556 18.887 1.00 0.00 H ATOM 780 HG SER A 134 11.357 -8.644 16.828 1.00 0.00 H ATOM 781 H SER A 134 9.714 -10.889 18.401 1.00 0.00 H ATOM 782 N ASN A 135 9.159 -7.680 17.566 1.00 2.99 N ATOM 783 CA ASN A 135 8.729 -6.432 16.932 1.00 12.90 C ATOM 784 C ASN A 135 7.407 -5.835 17.433 1.00 8.88 C ATOM 785 O ASN A 135 6.900 -4.907 16.835 1.00 6.26 O ATOM 786 CB ASN A 135 8.744 -6.547 15.390 1.00 10.79 C ATOM 787 CG ASN A 135 7.877 -7.673 14.867 1.00 17.41 C ATOM 788 OD1 ASN A 135 7.326 -8.465 15.630 1.00 19.67 O ATOM 789 ND2 ASN A 135 7.759 -7.755 13.537 1.00 26.36 N ATOM 790 HA ASN A 135 9.479 -5.709 17.252 1.00 0.00 H ATOM 791 HB2 ASN A 135 8.384 -5.608 14.969 1.00 0.00 H ATOM 792 HB3 ASN A 135 9.770 -6.720 15.065 1.00 0.00 H ATOM 793 HD22 ASN A 135 8.242 -7.064 12.928 1.00 0.00 H ATOM 794 HD21 ASN A 135 7.184 -8.510 13.112 1.00 0.00 H ATOM 795 H ASN A 135 8.889 -8.593 17.148 1.00 0.00 H ATOM 796 N TYR A 136 6.863 -6.357 18.529 1.00 8.31 N ATOM 797 CA TYR A 136 5.621 -5.839 19.102 1.00 4.54 C ATOM 798 C TYR A 136 5.841 -4.880 20.294 1.00 1.93 C ATOM 799 O TYR A 136 4.882 -4.390 20.874 1.00 6.79 O ATOM 800 CB TYR A 136 4.711 -6.990 19.573 1.00 2.97 C ATOM 801 CG TYR A 136 3.799 -7.619 18.520 1.00 5.59 C ATOM 802 CD1 TYR A 136 4.284 -7.989 17.272 1.00 4.39 C ATOM 803 CD2 TYR A 136 2.464 -7.885 18.809 1.00 9.69 C ATOM 804 CE1 TYR A 136 3.451 -8.566 16.326 1.00 2.29 C ATOM 805 CE2 TYR A 136 1.631 -8.477 17.878 1.00 8.63 C ATOM 806 CZ TYR A 136 2.126 -8.811 16.641 1.00 6.82 C ATOM 807 OH TYR A 136 1.294 -9.399 15.716 1.00 13.65 O ATOM 808 HA TYR A 136 5.150 -5.274 18.297 1.00 0.00 H ATOM 809 HB3 TYR A 136 4.077 -6.605 20.372 1.00 0.00 H ATOM 810 HB2 TYR A 136 5.352 -7.778 19.968 1.00 0.00 H ATOM 811 HD2 TYR A 136 2.067 -7.621 19.789 1.00 0.00 H ATOM 812 HE2 TYR A 136 0.588 -8.677 18.124 1.00 0.00 H ATOM 813 HE1 TYR A 136 3.837 -8.825 15.340 1.00 0.00 H ATOM 814 HD1 TYR A 136 5.335 -7.823 17.033 1.00 0.00 H ATOM 815 HH TYR A 136 1.800 -9.575 14.884 1.00 0.00 H ATOM 816 H TYR A 136 7.336 -7.159 18.993 1.00 0.00 H ATOM 817 N VAL A 137 7.087 -4.625 20.675 1.00 4.17 N ATOM 818 CA VAL A 137 7.330 -3.811 21.873 1.00 4.21 C ATOM 819 C VAL A 137 8.266 -2.630 21.613 1.00 3.87 C ATOM 820 O VAL A 137 9.049 -2.645 20.663 1.00 5.39 O ATOM 821 CB VAL A 137 7.904 -4.663 23.045 1.00 6.99 C ATOM 822 CG1 VAL A 137 6.901 -5.746 23.479 1.00 5.77 C ATOM 823 CG2 VAL A 137 9.258 -5.266 22.674 1.00 6.80 C ATOM 824 HA VAL A 137 6.353 -3.417 22.153 1.00 0.00 H ATOM 825 HB VAL A 137 8.064 -4.003 23.897 1.00 0.00 H ATOM 826 HG11 VAL A 137 5.977 -5.272 23.809 1.00 0.00 H ATOM 827 HG12 VAL A 137 6.692 -6.404 22.636 1.00 0.00 H ATOM 828 HG13 VAL A 137 7.326 -6.326 24.298 1.00 0.00 H ATOM 829 HG21 VAL A 137 9.142 -5.907 21.800 1.00 0.00 H ATOM 830 HG22 VAL A 137 9.961 -4.465 22.447 1.00 0.00 H ATOM 831 HG23 VAL A 137 9.634 -5.855 23.511 1.00 0.00 H ATOM 832 H VAL A 137 7.888 -5.000 20.127 1.00 0.00 H ATOM 833 N ALA A 138 8.154 -1.601 22.455 1.00 3.53 N ATOM 834 CA ALA A 138 9.077 -0.468 22.442 1.00 1.80 C ATOM 835 C ALA A 138 9.646 -0.335 23.848 1.00 2.99 C ATOM 836 O ALA A 138 9.049 -0.848 24.798 1.00 7.61 O ATOM 837 CB ALA A 138 8.346 0.821 22.053 1.00 4.25 C ATOM 838 HA ALA A 138 9.869 -0.633 21.711 1.00 0.00 H ATOM 839 HB1 ALA A 138 7.914 0.706 21.059 1.00 0.00 H ATOM 840 HB2 ALA A 138 7.553 1.020 22.774 1.00 0.00 H ATOM 841 HB3 ALA A 138 9.052 1.651 22.050 1.00 0.00 H ATOM 842 H ALA A 138 7.379 -1.605 23.148 1.00 0.00 H ATOM 843 N PRO A 139 10.799 0.346 23.991 1.00 9.94 N ATOM 844 CA PRO A 139 11.441 0.512 25.302 1.00 8.58 C ATOM 845 C PRO A 139 10.522 1.222 26.293 1.00 8.34 C ATOM 846 O PRO A 139 9.660 1.989 25.888 1.00 8.94 O ATOM 847 CB PRO A 139 12.662 1.384 24.988 1.00 12.89 C ATOM 848 CG PRO A 139 12.941 1.142 23.549 1.00 14.94 C ATOM 849 CD PRO A 139 11.587 0.980 22.917 1.00 12.77 C ATOM 850 HA PRO A 139 11.692 -0.442 25.766 1.00 0.00 H ATOM 851 HD3 PRO A 139 11.165 1.946 22.638 1.00 0.00 H ATOM 852 HD2 PRO A 139 11.638 0.339 22.037 1.00 0.00 H ATOM 853 HG3 PRO A 139 13.536 0.238 23.420 1.00 0.00 H ATOM 854 HG2 PRO A 139 13.470 1.989 23.112 1.00 0.00 H ATOM 855 HB2 PRO A 139 12.439 2.436 25.165 1.00 0.00 H ATOM 856 HB3 PRO A 139 13.514 1.087 25.600 1.00 0.00 H ATOM 857 N SER A 140 10.694 0.945 27.579 1.00 4.07 N ATOM 858 CA SER A 140 9.847 1.549 28.608 1.00 5.43 C ATOM 859 C SER A 140 10.589 1.631 29.936 1.00 10.33 C ATOM 860 O SER A 140 10.064 1.235 30.984 1.00 7.25 O ATOM 861 CB SER A 140 8.540 0.765 28.778 1.00 7.69 C ATOM 862 OG SER A 140 7.594 1.516 29.537 1.00 5.49 O ATOM 863 HA SER A 140 9.599 2.560 28.284 1.00 0.00 H ATOM 864 HB2 SER A 140 8.749 -0.172 29.294 1.00 0.00 H ATOM 865 HB3 SER A 140 8.121 0.551 27.795 1.00 0.00 H ATOM 866 HG SER A 140 7.398 2.366 29.070 1.00 0.00 H ATOM 867 H SER A 140 11.446 0.285 27.862 1.00 0.00 H ATOM 868 N ASP A 141 11.815 2.139 29.874 1.00 9.65 N ATOM 869 CA ASP A 141 12.660 2.319 31.053 1.00 16.48 C ATOM 870 C ASP A 141 13.787 3.313 30.752 1.00 22.05 C ATOM 871 O ASP A 141 14.684 3.526 31.582 1.00 20.82 O ATOM 872 CB ASP A 141 13.235 0.974 31.546 1.00 20.52 C ATOM 873 CG ASP A 141 14.228 0.356 30.569 1.00 26.73 C ATOM 874 OD1 ASP A 141 14.293 0.812 29.406 1.00 30.08 O ATOM 875 OD2 ASP A 141 14.954 -0.590 30.966 1.00 26.76 O ATOM 876 HA ASP A 141 12.040 2.724 31.853 1.00 0.00 H ATOM 877 HB2 ASP A 141 13.741 1.140 32.497 1.00 0.00 H ATOM 878 HB3 ASP A 141 12.410 0.276 31.691 1.00 0.00 H ATOM 879 H ASP A 141 12.190 2.421 28.946 1.00 0.00 H TER 880 ASP A 141 HETATM 881 O HOH 1 15.494 -14.186 29.660 1.00 12.25 O HETATM 882 O HOH 2 6.754 3.682 27.888 1.00 14.42 O HETATM 883 O HOH 3 14.623 -13.913 25.400 1.00 16.10 O HETATM 884 O HOH 4 14.215 -12.108 28.432 1.00 17.68 O HETATM 885 O HOH 5 4.506 -24.597 21.640 1.00 12.72 O HETATM 886 O HOH 6 -2.363 -14.406 17.657 1.00 19.78 O HETATM 887 O HOH 7 4.102 -0.497 13.204 1.00 20.07 O HETATM 888 O HOH 8 5.054 -16.584 35.193 1.00 18.61 O HETATM 889 O HOH 9 5.160 -14.864 37.891 1.00 18.02 O HETATM 890 O HOH 10 1.495 -3.084 32.776 1.00 22.46 O HETATM 891 O HOH 11 18.213 -2.642 33.129 1.00 24.83 O HETATM 892 O HOH 12 23.589 -10.499 24.354 1.00 19.34 O HETATM 893 O HOH 13 8.127 -12.891 15.785 1.00 22.77 O HETATM 894 O HOH 14 14.201 -1.983 33.114 1.00 14.99 O HETATM 895 O HOH 15 -2.795 -11.589 17.861 1.00 25.10 O HETATM 896 O HOH 16 -4.987 -1.928 25.707 1.00 22.83 O HETATM 897 O HOH 17 -3.136 -9.177 29.105 1.00 28.45 O HETATM 898 O HOH 18 2.614 -17.749 32.664 1.00 25.07 O HETATM 899 O HOH 19 2.671 -10.875 13.755 1.00 32.65 O HETATM 900 O HOH 20 1.725 -17.831 29.450 1.00 38.82 O HETATM 901 O HOH 21 0.727 -19.821 26.153 1.00 24.75 O HETATM 902 O HOH 22 -4.572 -10.658 27.086 1.00 22.07 O HETATM 903 O HOH 23 -0.287 -10.678 30.047 1.00 19.50 O HETATM 904 O HOH 24 12.468 -7.366 16.143 1.00 33.59 O HETATM 905 O HOH 25 -1.557 -23.190 17.203 1.00 32.32 O HETATM 906 O HOH 26 6.678 -2.562 15.609 1.00 22.99 O HETATM 907 O HOH 27 6.545 -11.114 14.229 1.00 24.12 O HETATM 908 O HOH 28 10.656 1.125 33.981 1.00 25.06 O HETATM 909 O HOH 29 -2.997 -1.902 29.084 1.00 41.05 O HETATM 910 O HOH 30 -0.674 -15.948 28.469 1.00 25.64 O HETATM 911 O HOH 31 2.384 -2.181 35.170 1.00 35.09 O HETATM 912 O HOH 32 14.908 -12.916 12.185 1.00 39.82 O HETATM 913 O HOH 33 0.449 -0.962 31.793 1.00 28.27 O HETATM 914 O HOH 34 4.078 -19.335 28.427 1.00 31.17 O HETATM 915 O HOH 35 3.953 -8.837 37.710 1.00 41.57 O HETATM 916 O HOH 36 17.724 -0.460 31.307 1.00 40.88 O HETATM 917 O HOH 37 10.850 -1.274 35.018 1.00 30.76 O HETATM 918 O HOH 38 -5.993 -3.233 23.718 1.00 33.89 O HETATM 919 O HOH 39 -5.145 -8.750 31.302 1.00 40.96 O HETATM 920 O HOH 40 18.458 -6.346 20.004 1.00 38.48 O HETATM 921 O HOH 41 -5.897 -6.179 18.255 1.00 34.25 O HETATM 922 O HOH 42 16.006 -9.388 17.735 1.00 37.46 O HETATM 923 O HOH 43 13.921 -10.728 15.082 1.00 27.03 O HETATM 924 O HOH 44 14.448 -18.653 12.159 1.00 20.26 O HETATM 925 N ARG A 45 12.953 -17.097 14.146 1.00 0.24 N HETATM 926 CA ARG A 45 14.187 -17.160 14.927 1.00 0.07 C HETATM 927 C ARG A 45 13.856 -17.205 16.419 1.00 0.23 C HETATM 928 O ARG A 45 12.919 -16.553 16.869 1.00 -0.39 O HETATM 929 N ARG A 45 14.631 -17.972 17.180 1.00 -0.26 N HETATM 930 CA ARG A 45 14.226 -18.377 18.516 1.00 0.12 C HETATM 931 C ARG A 45 14.548 -17.510 19.724 1.00 0.20 C HETATM 932 O ARG A 45 13.871 -16.516 19.986 1.00 -0.39 O HETATM 933 N ARG A 45 15.597 -17.903 20.445 1.00 -0.27 N HETATM 934 CA ARG A 45 15.822 -17.544 21.850 1.00 0.12 C HETATM 935 C ARG A 45 15.177 -18.627 22.710 1.00 0.06 C HETATM 936 O ARG A 45 15.538 -18.857 23.865 1.00 -0.57 O HETATM 937 OXT ARG A 45 14.265 -19.311 22.250 1.00 -0.57 O HETATM 938 CB ARG A 45 15.240 -16.172 22.258 1.00 0.09 C HETATM 939 OG1 ARG A 45 15.929 -15.123 21.569 1.00 -0.39 O HETATM 940 H22 ARG A 45 15.826 -15.240 20.632 1.00 0.21 H HETATM 941 CG2 ARG A 45 15.395 -15.961 23.754 1.00 -0.04 C HETATM 942 H23 ARG A 45 14.977 -14.982 24.031 1.00 0.03 H HETATM 943 H24 ARG A 45 16.462 -15.993 24.020 1.00 0.03 H HETATM 944 H25 ARG A 45 14.858 -16.755 24.294 1.00 0.03 H HETATM 945 H21 ARG A 45 14.172 -16.141 21.995 1.00 0.06 H HETATM 946 H20 ARG A 45 16.906 -17.525 22.034 1.00 0.08 H HETATM 947 H19 ARG A 45 16.278 -18.483 19.998 1.00 0.19 H HETATM 948 H17 ARG A 45 14.690 -19.357 18.701 1.00 0.08 H HETATM 949 H18 ARG A 45 13.132 -18.488 18.492 1.00 0.08 H HETATM 950 H16 ARG A 45 15.514 -18.278 16.825 1.00 0.19 H HETATM 951 CB ARG A 45 15.090 -15.973 14.592 1.00 0.01 C HETATM 952 CG ARG A 45 16.572 -16.286 14.636 1.00 -0.01 C HETATM 953 CD ARG A 45 17.390 -15.131 14.082 1.00 0.06 C HETATM 954 NE ARG A 45 18.765 -15.163 14.572 1.00 -0.27 N HETATM 955 CZ ARG A 45 19.783 -15.716 13.920 1.00 0.29 C HETATM 956 NH1 ARG A 45 19.592 -16.284 12.736 1.00 -0.28 N HETATM 957 H12 ARG A 45 20.385 -16.711 12.236 1.00 0.26 H HETATM 958 H13 ARG A 45 18.651 -16.298 12.317 1.00 0.26 H HETATM 959 NH2 ARG A 45 20.997 -15.696 14.451 1.00 -0.28 N HETATM 960 H14 ARG A 45 21.150 -15.256 15.370 1.00 0.26 H HETATM 961 H15 ARG A 45 21.788 -16.120 13.945 1.00 0.26 H HETATM 962 H11 ARG A 45 18.959 -14.727 15.485 1.00 0.26 H HETATM 963 H9 ARG A 45 16.924 -14.183 14.389 1.00 0.07 H HETATM 964 H10 ARG A 45 17.401 -15.195 12.984 1.00 0.07 H HETATM 965 H7 ARG A 45 16.767 -17.186 14.035 1.00 0.03 H HETATM 966 H8 ARG A 45 16.870 -16.470 15.679 1.00 0.03 H HETATM 967 H5 ARG A 45 14.886 -15.170 15.315 1.00 0.03 H HETATM 968 H6 ARG A 45 14.841 -15.626 13.578 1.00 0.03 H HETATM 969 H4 ARG A 45 14.721 -18.084 14.663 1.00 0.11 H HETATM 970 H1 ARG A 45 13.178 -17.068 13.164 1.00 0.20 H HETATM 971 H2 ARG A 45 12.438 -16.268 14.398 1.00 0.20 H HETATM 972 H3 ARG A 45 12.392 -17.912 14.338 1.00 0.20 H CONECT 925 926 970 971 972 CONECT 926 925 927 951 969 CONECT 927 926 928 929 CONECT 928 927 CONECT 929 927 930 950 CONECT 930 929 931 948 949 CONECT 931 930 932 933 CONECT 932 931 CONECT 933 931 934 947 CONECT 934 933 935 938 946 CONECT 935 934 936 937 CONECT 936 935 CONECT 937 935 CONECT 938 934 939 941 945 CONECT 939 938 940 CONECT 940 939 CONECT 941 938 942 943 944 CONECT 942 941 CONECT 943 941 CONECT 944 941 CONECT 945 938 CONECT 946 934 CONECT 947 933 CONECT 948 930 CONECT 949 930 CONECT 950 929 CONECT 951 926 952 967 968 CONECT 952 951 953 965 966 CONECT 953 952 954 963 964 CONECT 954 953 955 962 CONECT 955 954 956 959 CONECT 956 955 957 958 CONECT 957 956 CONECT 958 956 CONECT 959 955 960 961 CONECT 960 959 CONECT 961 959 CONECT 962 954 CONECT 963 953 CONECT 964 953 CONECT 965 952 CONECT 966 952 CONECT 967 951 CONECT 968 951 CONECT 969 926 CONECT 970 925 CONECT 971 925 CONECT 972 925 MASTER 0 0 0 0 0 0 0 0 971 1 48 5 END
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Structure:
Ligand 2D
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Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 4hxj
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1a07
RCSB PDB
PDBbind
107aa, >1A07_1|Chains... at 99%
1a08
RCSB PDB
PDBbind
107aa, >1A08_1|Chains... at 99%
1a09
RCSB PDB
PDBbind
107aa, >1A09_1|Chains... at 99%
1a1b
RCSB PDB
PDBbind
107aa, >1A1B_1|Chains... at 99%
1a1c
RCSB PDB
PDBbind
107aa, >1A1C_1|Chains... at 99%
1a1e
RCSB PDB
PDBbind
107aa, >1A1E_1|Chains... at 99%
1is0
RCSB PDB
PDBbind
106aa, >1IS0_1|Chains... at 97%
1nlp
RCSB PDB
PDBbind
64aa, >1NLP_1|Chain... at 93%
1nzl
RCSB PDB
PDBbind
103aa, >1NZL_1|Chains... at 97%
1nzv
RCSB PDB
PDBbind
103aa, >1NZV_1|Chains... at 97%
1o41
RCSB PDB
PDBbind
108aa, >1O41_1|Chain... at 100%
1o42
RCSB PDB
PDBbind
108aa, >1O42_1|Chain... at 100%
1o43
RCSB PDB
PDBbind
108aa, >1O43_1|Chain... at 100%
1o44
RCSB PDB
PDBbind
108aa, >1O44_1|Chain... at 100%
1o45
RCSB PDB
PDBbind
108aa, >1O45_1|Chain... at 100%
1o46
RCSB PDB
PDBbind
108aa, >1O46_1|Chain... at 100%
1o47
RCSB PDB
PDBbind
108aa, >1O47_1|Chain... at 100%
1o48
RCSB PDB
PDBbind
108aa, >1O48_1|Chain... at 100%
1o49
RCSB PDB
PDBbind
108aa, >1O49_1|Chain... at 100%
1o4a
RCSB PDB
PDBbind
108aa, >1O4A_1|Chain... at 100%
1o4b
RCSB PDB
PDBbind
108aa, >1O4B_1|Chain... at 100%
1o4d
RCSB PDB
PDBbind
108aa, >1O4D_1|Chain... at 100%
1o4e
RCSB PDB
PDBbind
108aa, >1O4E_1|Chain... at 100%
1o4f
RCSB PDB
PDBbind
108aa, >1O4F_1|Chain... at 100%
1o4g
RCSB PDB
PDBbind
108aa, >1O4G_1|Chain... at 100%
1o4h
RCSB PDB
PDBbind
108aa, >1O4H_1|Chain... at 100%
1o4i
RCSB PDB
PDBbind
108aa, >1O4I_1|Chain... at 100%
1o4j
RCSB PDB
PDBbind
108aa, >1O4J_1|Chain... at 100%
1o4k
RCSB PDB
PDBbind
108aa, >1O4K_1|Chain... at 100%
1o4l
RCSB PDB
PDBbind
108aa, >1O4L_1|Chain... at 100%
1o4m
RCSB PDB
PDBbind
108aa, >1O4M_1|Chain... at 100%
1o4n
RCSB PDB
PDBbind
108aa, >1O4N_1|Chain... at 100%
1o4o
RCSB PDB
PDBbind
108aa, >1O4O_1|Chain... at 100%
1o4p
RCSB PDB
PDBbind
108aa, >1O4P_1|Chain... at 100%
1o4q
RCSB PDB
PDBbind
108aa, >1O4Q_1|Chain... at 100%
1o4r
RCSB PDB
PDBbind
108aa, >1O4R_1|Chain... at 100%
1prl
RCSB PDB
PDBbind
64aa, >1PRL_1|Chain... at 96%
1prm
RCSB PDB
PDBbind
64aa, >1PRM_1|Chain... at 96%
1rlp
RCSB PDB
PDBbind
64aa, >1RLP_1|Chain... at 96%
1rlq
RCSB PDB
PDBbind
64aa, >1RLQ_1|Chain... at 96%
1shd
RCSB PDB
PDBbind
107aa, >1SHD_1|Chain... at 99%
1skj
RCSB PDB
PDBbind
113aa, >1SKJ_1|Chain... at 90%
1y57
RCSB PDB
PDBbind
452aa, >1Y57_1|Chain... at 99%
2bdf
RCSB PDB
PDBbind
279aa, >2BDF_1|Chains... at 100%
2bdj
RCSB PDB
PDBbind
279aa, >2BDJ_1|Chain... at 100%
2h8h
RCSB PDB
PDBbind
535aa, >2H8H_1|Chain... *
2hwo
RCSB PDB
PDBbind
286aa, >2HWO_1|Chains... at 97%
2hwp
RCSB PDB
PDBbind
286aa, >2HWP_1|Chains... at 97%
2oiq
RCSB PDB
PDBbind
286aa, >2OIQ_1|Chains... at 98%
2qlq
RCSB PDB
PDBbind
286aa, >2QLQ_1|Chains... at 97%
2qq7
RCSB PDB
PDBbind
286aa, >2QQ7_1|Chains... at 97%
3el7
RCSB PDB
PDBbind
286aa, >3EL7_1|Chain... at 98%
3el8
RCSB PDB
PDBbind
286aa, >3EL8_1|Chains... at 98%
3f3t
RCSB PDB
PDBbind
286aa, >3F3T_1|Chains... at 97%
3f3u
RCSB PDB
PDBbind
286aa, >3F3U_1|Chains... at 97%
3f3v
RCSB PDB
PDBbind
286aa, >3F3V_1|Chains... at 97%
3f3w
RCSB PDB
PDBbind
286aa, >3F3W_1|Chains... at 97%
3g5d
RCSB PDB
PDBbind
286aa, >3G5D_1|Chains... at 97%
3g6g
RCSB PDB
PDBbind
286aa, >3G6G_1|Chains... at 98%
3g6h
RCSB PDB
PDBbind
286aa, >3G6H_1|Chains... at 97%
3lok
RCSB PDB
PDBbind
286aa, >3LOK_1|Chains... at 97%
3svv
RCSB PDB
PDBbind
286aa, >3SVV_1|Chains... at 97%
3u4w
RCSB PDB
PDBbind
275aa, >3U4W_1|Chain... at 99%
3u51
RCSB PDB
PDBbind
275aa, >3U51_1|Chains... at 99%
3uqf
RCSB PDB
PDBbind
286aa, >3UQF_1|Chains... at 98%
3uqg
RCSB PDB
PDBbind
286aa, >3UQG_1|Chains... at 98%
4dgg
RCSB PDB
PDBbind
286aa, >4DGG_1|Chains... at 98%
4fic
RCSB PDB
PDBbind
286aa, >4FIC_1|Chains... at 98%
4lgg
RCSB PDB
PDBbind
270aa, >4LGG_1|Chains... at 98%
4lgh
RCSB PDB
PDBbind
277aa, >4LGH_1|Chains... at 98%
4mcv
RCSB PDB
PDBbind
278aa, >4MCV_1|Chains... at 98%
4o2p
RCSB PDB
PDBbind
286aa, >4O2P_1|Chains... at 98%
4u5j
RCSB PDB
PDBbind
286aa, >4U5J_1|Chains... at 98%
4ybj
RCSB PDB
PDBbind
286aa, >4YBJ_1|Chains... at 98%
4ybk
RCSB PDB
PDBbind
286aa, >4YBK_1|Chain... at 98%
5bmm
RCSB PDB
PDBbind
286aa, >5BMM_1|Chains... at 98%
5d10
RCSB PDB
PDBbind
286aa, >5D10_1|Chains... at 97%
5d11
RCSB PDB
PDBbind
286aa, >5D11_1|Chains... at 97%
5d12
RCSB PDB
PDBbind
286aa, >5D12_1|Chains... at 97%
6f3f
RCSB PDB
PDBbind
455aa, >6F3F_1|Chain... at 98%
5xp7
RCSB PDB
PDBbind
286aa, >5XP7_1|Chains... at 98%
5teh
RCSB PDB
PDBbind
286aa, >5TEH_1|Chains... at 97%
5sys
RCSB PDB
PDBbind
286aa, >5SYS_1|Chains... at 97%
5swh
RCSB PDB
PDBbind
286aa, >5SWH_1|Chains... at 97%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1a1b
RCSB PDB
PDBbind
3-mer
1a1c
RCSB PDB
PDBbind
3-mer
1a30
RCSB PDB
PDBbind
3-mer
1at5
RCSB PDB
PDBbind
3-mer
1at6
RCSB PDB
PDBbind
3-mer
1b05
RCSB PDB
PDBbind
3-mer
1b0h
RCSB PDB
PDBbind
3-mer
1b1h
RCSB PDB
PDBbind
3-mer
1b2h
RCSB PDB
PDBbind
3-mer
1b32
RCSB PDB
PDBbind
3-mer
1b3f
RCSB PDB
PDBbind
3-mer
1b3g
RCSB PDB
PDBbind
3-mer
1b3h
RCSB PDB
PDBbind
3-mer
1b3l
RCSB PDB
PDBbind
3-mer
1b40
RCSB PDB
PDBbind
3-mer
1b46
RCSB PDB
PDBbind
3-mer
1b4h
RCSB PDB
PDBbind
3-mer
1b4z
RCSB PDB
PDBbind
3-mer
1b51
RCSB PDB
PDBbind
3-mer
1b52
RCSB PDB
PDBbind
3-mer
1b58
RCSB PDB
PDBbind
3-mer
1b5h
RCSB PDB
PDBbind
3-mer
1b5i
RCSB PDB
PDBbind
3-mer
1b5j
RCSB PDB
PDBbind
3-mer
1b6h
RCSB PDB
PDBbind
3-mer
1b7h
RCSB PDB
PDBbind
3-mer
1b9j
RCSB PDB
PDBbind
3-mer
1bm6
RCSB PDB
PDBbind
3-mer
1eub
RCSB PDB
PDBbind
3-mer
1fwu
RCSB PDB
PDBbind
3-mer
1fwv
RCSB PDB
PDBbind
3-mer
1gmy
RCSB PDB
PDBbind
3-mer
1hkj
RCSB PDB
PDBbind
3-mer
1hkk
RCSB PDB
PDBbind
3-mer
1hkm
RCSB PDB
PDBbind
3-mer
1jet
RCSB PDB
PDBbind
3-mer
1jeu
RCSB PDB
PDBbind
3-mer
1jev
RCSB PDB
PDBbind
3-mer
1jlx
RCSB PDB
PDBbind
3-mer
1jrs
RCSB PDB
PDBbind
3-mer
1kjr
RCSB PDB
PDBbind
3-mer
1kug
RCSB PDB
PDBbind
3-mer
1kui
RCSB PDB
PDBbind
3-mer
1kuk
RCSB PDB
PDBbind
3-mer
1ll4
RCSB PDB
PDBbind
3-mer
1m7d
RCSB PDB
PDBbind
3-mer
1mfa
RCSB PDB
PDBbind
3-mer
1mfd
RCSB PDB
PDBbind
3-mer
1nu8
RCSB PDB
PDBbind
3-mer
1ogg
RCSB PDB
PDBbind
3-mer
1qka
RCSB PDB
PDBbind
3-mer
1qkb
RCSB PDB
PDBbind
3-mer
1ule
RCSB PDB
PDBbind
3-mer
1ur9
RCSB PDB
PDBbind
3-mer
1ux7
RCSB PDB
PDBbind
3-mer
1uz8
RCSB PDB
PDBbind
3-mer
1w3l
RCSB PDB
PDBbind
3-mer
1y3g
RCSB PDB
PDBbind
3-mer
2euk
RCSB PDB
PDBbind
3-mer
2eum
RCSB PDB
PDBbind
3-mer
2evl
RCSB PDB
PDBbind
3-mer
2jdh
RCSB PDB
PDBbind
3-mer
2jdk
RCSB PDB
PDBbind
3-mer
2liq
RCSB PDB
PDBbind
3-mer
2olb
RCSB PDB
PDBbind
3-mer
2r2b
RCSB PDB
PDBbind
3-mer
2vxj
RCSB PDB
PDBbind
3-mer
2w68
RCSB PDB
PDBbind
3-mer
2w7y
RCSB PDB
PDBbind
3-mer
2wk2
RCSB PDB
PDBbind
3-mer
2wm0
RCSB PDB
PDBbind
3-mer
2xdw
RCSB PDB
PDBbind
3-mer
2xg3
RCSB PDB
PDBbind
3-mer
2yjq
RCSB PDB
PDBbind
3-mer
3afk
RCSB PDB
PDBbind
3-mer
3ap7
RCSB PDB
PDBbind
3-mer
3aya
RCSB PDB
PDBbind
3-mer
3ayd
RCSB PDB
PDBbind
3-mer
3g19
RCSB PDB
PDBbind
3-mer
3gxy
RCSB PDB
PDBbind
3-mer
3m3c
RCSB PDB
PDBbind
3-mer
3m3e
RCSB PDB
PDBbind
3-mer
3m3o
RCSB PDB
PDBbind
3-mer
3mbp
RCSB PDB
PDBbind
3-mer
3rse
RCSB PDB
PDBbind
3-mer
3tcg
RCSB PDB
PDBbind
3-mer
4bgy
RCSB PDB
PDBbind
3-mer
4bh3
RCSB PDB
PDBbind
3-mer
4bh4
RCSB PDB
PDBbind
3-mer
4c1u
RCSB PDB
PDBbind
3-mer
4d2d
RCSB PDB
PDBbind
3-mer
4dj7
RCSB PDB
PDBbind
3-mer
4g0a
RCSB PDB
PDBbind
3-mer
4g68
RCSB PDB
PDBbind
3-mer
4gzw
RCSB PDB
PDBbind
3-mer
4hpi
RCSB PDB
PDBbind
3-mer
4igq
RCSB PDB
PDBbind
3-mer
4je8
RCSB PDB
PDBbind
3-mer
4k64
RCSB PDB
PDBbind
3-mer
4k67
RCSB PDB
PDBbind
3-mer
4lbl
RCSB PDB
PDBbind
3-mer
4lbo
RCSB PDB
PDBbind
3-mer
4lkg
RCSB PDB
PDBbind
3-mer
4lkj
RCSB PDB
PDBbind
3-mer
4m7j
RCSB PDB
PDBbind
3-mer
5glu
RCSB PDB
PDBbind
3-mer
5mxo
RCSB PDB
PDBbind
3-mer
5t54
RCSB PDB
PDBbind
3-mer
5tpb
RCSB PDB
PDBbind
3-mer
5ufc
RCSB PDB
PDBbind
3-mer
5xhs
RCSB PDB
PDBbind
3-mer
6df1
RCSB PDB
PDBbind
3-mer
6df2
RCSB PDB
PDBbind
3-mer
6fhu
RCSB PDB
PDBbind
3-mer
6m9c
RCSB PDB
PDBbind
3-mer
6m9d
RCSB PDB
PDBbind
3-mer
6phx
RCSB PDB
PDBbind
3-mer
6p7p
RCSB PDB
PDBbind
3-mer
6k2n
RCSB PDB
PDBbind
3-mer
6iht
RCSB PDB
PDBbind
3-mer
6idz
RCSB PDB
PDBbind
3-mer
6idb
RCSB PDB
PDBbind
3-mer
Entry Information
PDB ID
4hxj
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Proto-oncogene tyrosine-protein kinase Src
Ligand Name
3-mer
EC.Number
E.C.2.7.10.2
Resolution
2(Å)
Affinity (Kd/Ki/IC50)
Kd~74.3uM
Release Year
2012
Protein/NA Sequence
Check fasta file
Primary Reference
(2013) Blood Vol. 121: pp. 700-706
Ligand Properties
Formula
C
1
2
H
2
6
N
6
O
5
Molecular Weight
334.372
Exact Mass
334.196
No. of atoms
49
No. of bonds
48
Polar Surface Area
209.38
LOGP Value
-2.73 (
Computed with XLOGP3
)
-4.02 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 0
Canonical SMILES
O=C(N[C@H](C(=O)O)[C@H](O)C)CNC(=O)[C@H](CCC[NH+]=C(N)N)[NH3+]
InChI String
InChI=1S/C12H24N6O5/c1-6(19)9(11(22)23)18-8(20)5-17-10(21)7(13)3-2-4-16-12(14)15/h6-7,9,19H,2-5,13H2,1H3,(H,17,21)(H,18,20)(H,22,23)(H4,14,15,16)/p+2/t6-,7+,9+/m1/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):
P12931
Entrez Gene ID
NCBI Entrez Gene ID:
6714
ASD
Information of known allosteric effects of PDB entries
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