Browse entries in the PDBbind-CN Database
HEADER 2QIC_COMPLEX COMPND 2QIC_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 51 GLU PRO THR TYR CYS LEU CYS ASN GLN VAL SER TYR GLY SEQRES 2 A 51 GLU MET ILE GLY CYS ASP ASN ASP GLU CYS PRO ILE GLU SEQRES 3 A 51 TRP PHE HIS PHE SER CYS VAL GLY LEU ASN HIS LYS PRO SEQRES 4 A 51 LYS GLY LYS TRP TYR CYS PRO LYS CYS ARG GLY GLU HET ZN A 1 1 HET ZN A 2 1 HET ALA A 95 148 ATOM 1 N GLU A 209 16.847 36.123 8.390 1.00 58.74 N ATOM 2 CA GLU A 209 17.451 37.449 8.716 1.00 59.67 C ATOM 3 C GLU A 209 16.518 38.323 9.563 1.00 56.58 C ATOM 4 O GLU A 209 16.886 38.754 10.653 1.00 57.65 O ATOM 5 CB GLU A 209 17.826 38.202 7.431 1.00 90.62 C ATOM 6 CG GLU A 209 19.008 37.624 6.665 1.00 96.77 C ATOM 7 CD GLU A 209 20.326 37.788 7.401 1.00100.00 C ATOM 8 OE1 GLU A 209 20.690 38.938 7.726 1.00103.09 O ATOM 9 OE2 GLU A 209 21.000 36.767 7.653 1.00102.45 O ATOM 10 HA GLU A 209 18.348 37.248 9.302 1.00 0.00 H ATOM 11 HB2 GLU A 209 16.959 38.195 6.770 1.00 0.00 H ATOM 12 HB3 GLU A 209 18.068 39.230 7.700 1.00 0.00 H ATOM 13 HG2 GLU A 209 18.831 36.561 6.501 1.00 0.00 H ATOM 14 HG3 GLU A 209 19.081 38.131 5.703 1.00 0.00 H ATOM 15 HN3 GLU A 209 15.967 36.266 7.855 1.00 0.00 H ATOM 16 HN2 GLU A 209 16.639 35.612 9.272 1.00 0.00 H ATOM 17 HN1 GLU A 209 17.516 35.570 7.817 1.00 0.00 H ATOM 18 N PRO A 210 15.297 38.598 9.072 1.00 52.22 N ATOM 19 CA PRO A 210 14.394 39.433 9.869 1.00 49.71 C ATOM 20 C PRO A 210 13.950 38.764 11.172 1.00 47.99 C ATOM 21 O PRO A 210 13.793 37.546 11.236 1.00 47.65 O ATOM 22 CB PRO A 210 13.233 39.696 8.911 1.00 60.04 C ATOM 23 CG PRO A 210 13.198 38.452 8.090 1.00 60.62 C ATOM 24 CD PRO A 210 14.657 38.194 7.807 1.00 61.25 C ATOM 25 HA PRO A 210 14.870 40.349 10.219 1.00 0.00 H ATOM 26 HD3 PRO A 210 14.838 37.141 7.591 1.00 0.00 H ATOM 27 HD2 PRO A 210 15.011 38.800 6.973 1.00 0.00 H ATOM 28 HG3 PRO A 210 12.640 38.607 7.166 1.00 0.00 H ATOM 29 HG2 PRO A 210 12.754 37.627 8.647 1.00 0.00 H ATOM 30 HB2 PRO A 210 12.298 39.835 9.454 1.00 0.00 H ATOM 31 HB3 PRO A 210 13.425 40.571 8.291 1.00 0.00 H ATOM 32 N THR A 211 13.769 39.578 12.206 1.00 51.36 N ATOM 33 CA THR A 211 13.346 39.099 13.521 1.00 50.20 C ATOM 34 C THR A 211 12.006 39.747 13.845 1.00 49.24 C ATOM 35 O THR A 211 11.654 40.778 13.269 1.00 48.90 O ATOM 36 CB THR A 211 14.355 39.494 14.603 1.00 47.44 C ATOM 37 OG1 THR A 211 14.654 40.890 14.479 1.00 48.69 O ATOM 38 CG2 THR A 211 15.634 38.682 14.460 1.00 47.77 C ATOM 39 HA THR A 211 13.272 38.012 13.500 1.00 0.00 H ATOM 40 HB THR A 211 13.924 39.292 15.583 1.00 0.00 H ATOM 41 HG1 THR A 211 13.823 41.416 14.591 1.00 0.00 H ATOM 42 HG23 THR A 211 15.402 37.621 14.555 1.00 0.00 H ATOM 43 HG21 THR A 211 16.076 38.872 13.482 1.00 0.00 H ATOM 44 HG22 THR A 211 16.337 38.973 15.241 1.00 0.00 H ATOM 45 H THR A 211 13.935 40.596 12.075 1.00 0.00 H ATOM 46 N TYR A 212 11.267 39.150 14.776 1.00 43.33 N ATOM 47 CA TYR A 212 9.954 39.677 15.138 1.00 41.01 C ATOM 48 C TYR A 212 9.674 39.416 16.614 1.00 41.14 C ATOM 49 O TYR A 212 10.553 39.024 17.387 1.00 39.38 O ATOM 50 CB TYR A 212 8.858 38.978 14.318 1.00 41.32 C ATOM 51 CG TYR A 212 9.065 38.985 12.819 1.00 40.62 C ATOM 52 CD1 TYR A 212 9.917 38.062 12.201 1.00 41.99 C ATOM 53 CD2 TYR A 212 8.412 39.918 12.012 1.00 40.21 C ATOM 54 CE1 TYR A 212 10.110 38.070 10.812 1.00 40.35 C ATOM 55 CE2 TYR A 212 8.600 39.936 10.628 1.00 40.68 C ATOM 56 CZ TYR A 212 9.445 39.012 10.035 1.00 41.60 C ATOM 57 OH TYR A 212 9.617 39.026 8.666 1.00 41.53 O ATOM 58 HA TYR A 212 9.951 40.748 14.936 1.00 0.00 H ATOM 59 HB3 TYR A 212 7.911 39.475 14.529 1.00 0.00 H ATOM 60 HB2 TYR A 212 8.803 37.940 14.645 1.00 0.00 H ATOM 61 HD2 TYR A 212 7.743 40.646 12.470 1.00 0.00 H ATOM 62 HE2 TYR A 212 8.083 40.675 10.016 1.00 0.00 H ATOM 63 HE1 TYR A 212 10.776 37.344 10.345 1.00 0.00 H ATOM 64 HD1 TYR A 212 10.439 37.324 12.810 1.00 0.00 H ATOM 65 HH TYR A 212 10.247 38.308 8.406 1.00 0.00 H ATOM 66 H TYR A 212 11.628 38.298 15.251 1.00 0.00 H ATOM 67 N CYS A 213 8.421 39.654 16.982 1.00 40.93 N ATOM 68 CA CYS A 213 7.920 39.401 18.329 1.00 41.85 C ATOM 69 C CYS A 213 8.625 40.265 19.373 1.00 42.29 C ATOM 70 O CYS A 213 9.506 41.065 19.062 1.00 42.91 O ATOM 71 CB CYS A 213 8.095 37.915 18.663 1.00 43.32 C ATOM 72 SG CYS A 213 7.098 37.337 20.039 1.00 36.47 S ATOM 73 HA CYS A 213 6.863 39.666 18.354 1.00 0.00 H ATOM 74 HB2 CYS A 213 9.143 37.742 18.906 1.00 0.00 H ATOM 75 HB3 CYS A 213 7.827 37.334 17.781 1.00 0.00 H ATOM 76 HG CYS A 213 7.337 35.994 20.246 1.00 0.00 H ATOM 77 H CYS A 213 7.763 40.040 16.275 1.00 0.00 H ATOM 78 N LEU A 214 8.211 40.089 20.620 1.00 43.54 N ATOM 79 CA LEU A 214 8.776 40.838 21.728 1.00 45.99 C ATOM 80 C LEU A 214 10.099 40.190 22.154 1.00 46.42 C ATOM 81 O LEU A 214 10.797 40.712 23.016 1.00 47.43 O ATOM 82 CB LEU A 214 7.779 40.869 22.893 1.00 53.82 C ATOM 83 CG LEU A 214 7.137 39.547 23.325 1.00 55.87 C ATOM 84 CD1 LEU A 214 8.114 38.742 24.159 1.00 56.58 C ATOM 85 CD2 LEU A 214 5.880 39.832 24.129 1.00 55.71 C ATOM 86 HA LEU A 214 8.973 41.865 21.421 1.00 0.00 H ATOM 87 HB2 LEU A 214 8.304 41.273 23.759 1.00 0.00 H ATOM 88 HB3 LEU A 214 6.972 41.545 22.611 1.00 0.00 H ATOM 89 HG LEU A 214 6.875 38.969 22.439 1.00 0.00 H ATOM 90 HD21 LEU A 214 6.140 40.416 25.012 1.00 0.00 H ATOM 91 HD22 LEU A 214 5.177 40.394 23.514 1.00 0.00 H ATOM 92 HD23 LEU A 214 5.425 38.890 24.435 1.00 0.00 H ATOM 93 HD11 LEU A 214 9.006 38.531 23.569 1.00 0.00 H ATOM 94 HD12 LEU A 214 8.390 39.313 25.045 1.00 0.00 H ATOM 95 HD13 LEU A 214 7.646 37.805 24.460 1.00 0.00 H ATOM 96 H LEU A 214 7.460 39.395 20.810 1.00 0.00 H ATOM 97 N CYS A 215 10.448 39.069 21.529 1.00 47.94 N ATOM 98 CA CYS A 215 11.691 38.362 21.874 1.00 48.02 C ATOM 99 C CYS A 215 12.785 38.704 20.853 1.00 50.80 C ATOM 100 O CYS A 215 13.959 38.417 21.072 1.00 49.57 O ATOM 101 CB CYS A 215 11.447 36.850 21.888 1.00 48.14 C ATOM 102 SG CYS A 215 10.929 36.181 20.286 1.00 41.77 S ATOM 103 HA CYS A 215 12.016 38.678 22.865 1.00 0.00 H ATOM 104 HB2 CYS A 215 10.669 36.634 22.620 1.00 0.00 H ATOM 105 HB3 CYS A 215 12.371 36.355 22.185 1.00 0.00 H ATOM 106 HG CYS A 215 10.735 34.819 20.399 1.00 0.00 H ATOM 107 H CYS A 215 9.832 38.686 20.784 1.00 0.00 H ATOM 108 N ASN A 216 12.387 39.314 19.741 1.00 49.16 N ATOM 109 CA ASN A 216 13.322 39.700 18.677 1.00 51.98 C ATOM 110 C ASN A 216 14.032 38.470 18.117 1.00 50.36 C ATOM 111 O ASN A 216 15.228 38.503 17.842 1.00 51.40 O ATOM 112 CB ASN A 216 14.348 40.709 19.201 1.00 87.49 C ATOM 113 CG ASN A 216 13.724 42.049 19.532 1.00 91.83 C ATOM 114 OD1 ASN A 216 12.839 42.142 20.379 1.00 96.03 O ATOM 115 ND2 ASN A 216 14.181 43.096 18.856 1.00 95.85 N ATOM 116 HA ASN A 216 12.752 40.169 17.875 1.00 0.00 H ATOM 117 HB2 ASN A 216 14.808 40.305 20.103 1.00 0.00 H ATOM 118 HB3 ASN A 216 15.114 40.858 18.439 1.00 0.00 H ATOM 119 HD22 ASN A 216 14.932 42.970 18.148 1.00 0.00 H ATOM 120 HD21 ASN A 216 13.788 44.042 19.035 1.00 0.00 H ATOM 121 H ASN A 216 11.376 39.526 19.620 1.00 0.00 H ATOM 122 N GLN A 217 13.285 37.387 17.942 1.00 47.65 N ATOM 123 CA GLN A 217 13.847 36.157 17.390 1.00 46.70 C ATOM 124 C GLN A 217 13.312 35.996 15.971 1.00 45.02 C ATOM 125 O GLN A 217 12.329 36.638 15.591 1.00 42.62 O ATOM 126 CB GLN A 217 13.433 34.949 18.231 1.00 52.34 C ATOM 127 CG GLN A 217 14.067 34.902 19.609 1.00 52.50 C ATOM 128 CD GLN A 217 15.581 34.854 19.544 1.00 52.36 C ATOM 129 OE1 GLN A 217 16.159 33.999 18.868 1.00 51.53 O ATOM 130 NE2 GLN A 217 16.234 35.773 20.250 1.00 52.79 N ATOM 131 HA GLN A 217 14.935 36.215 17.393 1.00 0.00 H ATOM 132 HB2 GLN A 217 12.350 34.973 18.354 1.00 0.00 H ATOM 133 HB3 GLN A 217 13.717 34.044 17.693 1.00 0.00 H ATOM 134 HG2 GLN A 217 13.768 35.791 20.164 1.00 0.00 H ATOM 135 HG3 GLN A 217 13.710 34.013 20.130 1.00 0.00 H ATOM 136 HE22 GLN A 217 15.705 36.475 20.806 1.00 0.00 H ATOM 137 HE21 GLN A 217 17.274 35.790 20.246 1.00 0.00 H ATOM 138 H GLN A 217 12.279 37.415 18.203 1.00 0.00 H ATOM 139 N VAL A 218 13.968 35.142 15.191 1.00 37.83 N ATOM 140 CA VAL A 218 13.551 34.879 13.819 1.00 37.61 C ATOM 141 C VAL A 218 12.167 34.220 13.875 1.00 35.94 C ATOM 142 O VAL A 218 11.724 33.762 14.931 1.00 34.86 O ATOM 143 CB VAL A 218 14.563 33.945 13.104 1.00 43.13 C ATOM 144 CG1 VAL A 218 14.053 33.554 11.730 1.00 44.25 C ATOM 145 CG2 VAL A 218 15.907 34.659 12.962 1.00 43.93 C ATOM 146 HA VAL A 218 13.512 35.810 13.254 1.00 0.00 H ATOM 147 HB VAL A 218 14.684 33.042 13.703 1.00 0.00 H ATOM 148 HG11 VAL A 218 13.102 33.032 11.832 1.00 0.00 H ATOM 149 HG12 VAL A 218 13.914 34.451 11.127 1.00 0.00 H ATOM 150 HG13 VAL A 218 14.779 32.899 11.247 1.00 0.00 H ATOM 151 HG21 VAL A 218 15.774 35.568 12.375 1.00 0.00 H ATOM 152 HG22 VAL A 218 16.287 34.916 13.951 1.00 0.00 H ATOM 153 HG23 VAL A 218 16.616 34.000 12.460 1.00 0.00 H ATOM 154 H VAL A 218 14.801 34.648 15.570 1.00 0.00 H ATOM 155 N SER A 219 11.493 34.185 12.733 1.00 45.78 N ATOM 156 CA SER A 219 10.164 33.604 12.630 1.00 43.50 C ATOM 157 C SER A 219 10.248 32.074 12.747 1.00 43.17 C ATOM 158 O SER A 219 11.115 31.441 12.149 1.00 43.10 O ATOM 159 CB SER A 219 9.546 33.986 11.284 1.00 40.49 C ATOM 160 OG SER A 219 8.321 33.318 11.079 1.00 40.62 O ATOM 161 HA SER A 219 9.541 33.986 13.439 1.00 0.00 H ATOM 162 HB2 SER A 219 10.237 33.716 10.485 1.00 0.00 H ATOM 163 HB3 SER A 219 9.373 35.062 11.264 1.00 0.00 H ATOM 164 HG SER A 219 8.474 32.340 11.091 1.00 0.00 H ATOM 165 H SER A 219 11.931 34.588 11.880 1.00 0.00 H ATOM 166 N TYR A 220 9.344 31.490 13.525 1.00 41.44 N ATOM 167 CA TYR A 220 9.303 30.038 13.684 1.00 40.74 C ATOM 168 C TYR A 220 7.887 29.654 14.094 1.00 38.95 C ATOM 169 O TYR A 220 7.188 30.435 14.738 1.00 38.03 O ATOM 170 CB TYR A 220 10.330 29.572 14.726 1.00 40.99 C ATOM 171 CG TYR A 220 10.091 30.038 16.145 1.00 40.33 C ATOM 172 CD1 TYR A 220 9.042 29.518 16.911 1.00 39.60 C ATOM 173 CD2 TYR A 220 10.950 30.955 16.745 1.00 40.11 C ATOM 174 CE1 TYR A 220 8.863 29.897 18.241 1.00 36.66 C ATOM 175 CE2 TYR A 220 10.782 31.341 18.072 1.00 38.07 C ATOM 176 CZ TYR A 220 9.741 30.808 18.812 1.00 38.05 C ATOM 177 OH TYR A 220 9.589 31.185 20.121 1.00 38.39 O ATOM 178 HA TYR A 220 9.563 29.548 12.746 1.00 0.00 H ATOM 179 HB3 TYR A 220 11.310 29.936 14.415 1.00 0.00 H ATOM 180 HB2 TYR A 220 10.333 28.482 14.728 1.00 0.00 H ATOM 181 HD2 TYR A 220 11.770 31.379 16.165 1.00 0.00 H ATOM 182 HE2 TYR A 220 11.466 32.058 18.525 1.00 0.00 H ATOM 183 HE1 TYR A 220 8.042 29.482 18.826 1.00 0.00 H ATOM 184 HD1 TYR A 220 8.353 28.804 16.460 1.00 0.00 H ATOM 185 HH TYR A 220 9.449 32.164 20.167 1.00 0.00 H ATOM 186 H TYR A 220 8.651 32.078 14.031 1.00 0.00 H ATOM 187 N GLY A 221 7.455 28.464 13.696 1.00 33.33 N ATOM 188 CA GLY A 221 6.115 28.019 14.035 1.00 34.12 C ATOM 189 C GLY A 221 5.024 28.930 13.494 1.00 33.44 C ATOM 190 O GLY A 221 5.181 29.563 12.428 1.00 33.92 O ATOM 191 HA3 GLY A 221 6.027 27.980 15.121 1.00 0.00 H ATOM 192 HA2 GLY A 221 5.967 27.020 13.624 1.00 0.00 H ATOM 193 H GLY A 221 8.079 27.847 13.138 1.00 0.00 H ATOM 194 N GLU A 222 3.911 29.005 14.215 1.00 35.73 N ATOM 195 CA GLU A 222 2.810 29.851 13.783 1.00 36.51 C ATOM 196 C GLU A 222 2.988 31.236 14.410 1.00 34.04 C ATOM 197 O GLU A 222 3.266 31.363 15.609 1.00 32.88 O ATOM 198 CB GLU A 222 1.466 29.233 14.180 1.00 73.41 C ATOM 199 CG GLU A 222 0.298 29.779 13.375 1.00 82.29 C ATOM 200 CD GLU A 222 -0.845 28.788 13.244 1.00 86.61 C ATOM 201 OE1 GLU A 222 -0.597 27.655 12.779 1.00 91.93 O ATOM 202 OE2 GLU A 222 -1.991 29.143 13.595 1.00 92.36 O ATOM 203 HA GLU A 222 2.815 29.941 12.697 1.00 0.00 H ATOM 204 HB2 GLU A 222 1.520 28.155 14.026 1.00 0.00 H ATOM 205 HB3 GLU A 222 1.287 29.439 15.235 1.00 0.00 H ATOM 206 HG2 GLU A 222 -0.075 30.677 13.868 1.00 0.00 H ATOM 207 HG3 GLU A 222 0.653 30.035 12.377 1.00 0.00 H ATOM 208 H GLU A 222 3.826 28.455 15.094 1.00 0.00 H ATOM 209 N MET A 223 2.856 32.264 13.578 1.00 33.81 N ATOM 210 CA MET A 223 3.001 33.666 14.012 1.00 33.57 C ATOM 211 C MET A 223 1.616 34.323 13.946 1.00 31.47 C ATOM 212 O MET A 223 0.836 34.017 13.061 1.00 30.62 O ATOM 213 CB MET A 223 3.938 34.417 13.061 1.00 32.20 C ATOM 214 CG MET A 223 5.283 33.753 12.814 1.00 35.66 C ATOM 215 SD MET A 223 6.336 33.808 14.258 1.00 38.53 S ATOM 216 CE MET A 223 6.791 35.576 14.274 1.00 34.00 C ATOM 217 HA MET A 223 3.411 33.700 15.021 1.00 0.00 H ATOM 218 HB2 MET A 223 3.432 34.520 12.101 1.00 0.00 H ATOM 219 HB3 MET A 223 4.123 35.406 13.481 1.00 0.00 H ATOM 220 HG2 MET A 223 5.784 34.267 11.994 1.00 0.00 H ATOM 221 HG3 MET A 223 5.116 32.711 12.540 1.00 0.00 H ATOM 222 HE1 MET A 223 7.305 35.826 13.346 1.00 0.00 H ATOM 223 HE2 MET A 223 5.889 36.181 14.365 1.00 0.00 H ATOM 224 HE3 MET A 223 7.449 35.773 15.120 1.00 0.00 H ATOM 225 H MET A 223 2.641 32.072 12.579 1.00 0.00 H ATOM 226 N ILE A 224 1.320 35.221 14.879 1.00 29.39 N ATOM 227 CA ILE A 224 0.026 35.922 14.875 1.00 28.11 C ATOM 228 C ILE A 224 0.331 37.426 14.725 1.00 28.11 C ATOM 229 O ILE A 224 1.305 37.931 15.302 1.00 27.83 O ATOM 230 CB ILE A 224 -0.777 35.621 16.182 1.00 36.77 C ATOM 231 CG1 ILE A 224 -2.169 36.259 16.104 1.00 35.90 C ATOM 232 CG2 ILE A 224 -0.002 36.093 17.402 1.00 35.84 C ATOM 233 CD1 ILE A 224 -3.114 35.800 17.210 1.00 38.42 C ATOM 234 HA ILE A 224 -0.600 35.581 14.051 1.00 0.00 H ATOM 235 HB ILE A 224 -0.912 34.544 16.281 1.00 0.00 H ATOM 236 HG12 ILE A 224 -2.057 37.341 16.173 1.00 0.00 H ATOM 237 HG13 ILE A 224 -2.613 36.002 15.142 1.00 0.00 H ATOM 238 HD11 ILE A 224 -3.246 34.720 17.148 1.00 0.00 H ATOM 239 HD12 ILE A 224 -2.690 36.060 18.180 1.00 0.00 H ATOM 240 HD13 ILE A 224 -4.079 36.293 17.090 1.00 0.00 H ATOM 241 HG21 ILE A 224 0.955 35.574 17.446 1.00 0.00 H ATOM 242 HG22 ILE A 224 0.169 37.167 17.329 1.00 0.00 H ATOM 243 HG23 ILE A 224 -0.576 35.875 18.302 1.00 0.00 H ATOM 244 H ILE A 224 2.014 35.432 15.624 1.00 0.00 H ATOM 245 N GLY A 225 -0.476 38.122 13.924 1.00 29.20 N ATOM 246 CA GLY A 225 -0.248 39.538 13.693 1.00 29.38 C ATOM 247 C GLY A 225 -1.206 40.476 14.405 1.00 28.72 C ATOM 248 O GLY A 225 -2.428 40.343 14.284 1.00 30.44 O ATOM 249 HA3 GLY A 225 -0.331 39.722 12.622 1.00 0.00 H ATOM 250 HA2 GLY A 225 0.763 39.775 14.024 1.00 0.00 H ATOM 251 H GLY A 225 -1.276 37.647 13.460 1.00 0.00 H ATOM 252 N CYS A 226 -0.648 41.442 15.133 1.00 26.47 N ATOM 253 CA CYS A 226 -1.461 42.403 15.883 1.00 27.80 C ATOM 254 C CYS A 226 -2.374 43.164 14.910 1.00 29.65 C ATOM 255 O CYS A 226 -1.933 43.638 13.849 1.00 29.34 O ATOM 256 CB CYS A 226 -0.558 43.370 16.648 1.00 29.17 C ATOM 257 SG CYS A 226 -1.478 44.572 17.660 1.00 30.15 S ATOM 258 HA CYS A 226 -2.080 41.873 16.607 1.00 0.00 H ATOM 259 HB2 CYS A 226 0.050 43.918 15.928 1.00 0.00 H ATOM 260 HB3 CYS A 226 0.091 42.791 17.304 1.00 0.00 H ATOM 261 HG CYS A 226 -0.587 45.400 18.312 1.00 0.00 H ATOM 262 H CYS A 226 0.389 41.516 15.170 1.00 0.00 H ATOM 263 N ASP A 227 -3.641 43.298 15.279 1.00 35.61 N ATOM 264 CA ASP A 227 -4.595 43.963 14.406 1.00 36.77 C ATOM 265 C ASP A 227 -4.531 45.494 14.480 1.00 37.22 C ATOM 266 O ASP A 227 -5.389 46.180 13.923 1.00 38.26 O ATOM 267 CB ASP A 227 -5.993 43.418 14.668 1.00 38.20 C ATOM 268 CG ASP A 227 -6.231 42.123 13.926 1.00 36.68 C ATOM 269 OD1 ASP A 227 -6.943 41.242 14.439 1.00 42.05 O ATOM 270 OD2 ASP A 227 -5.690 42.000 12.805 1.00 38.38 O ATOM 271 HA ASP A 227 -4.319 43.734 13.377 1.00 0.00 H ATOM 272 HB2 ASP A 227 -6.110 43.241 15.737 1.00 0.00 H ATOM 273 HB3 ASP A 227 -6.727 44.154 14.341 1.00 0.00 H ATOM 274 H ASP A 227 -3.954 42.925 16.198 1.00 0.00 H ATOM 275 N ASN A 228 -3.524 46.025 15.165 1.00 32.31 N ATOM 276 CA ASN A 228 -3.311 47.478 15.192 1.00 30.47 C ATOM 277 C ASN A 228 -2.339 47.688 14.027 1.00 30.82 C ATOM 278 O ASN A 228 -1.191 47.279 14.105 1.00 32.16 O ATOM 279 CB ASN A 228 -2.659 47.921 16.502 1.00 30.19 C ATOM 280 CG ASN A 228 -2.242 49.391 16.486 1.00 30.92 C ATOM 281 OD1 ASN A 228 -2.585 50.144 15.573 1.00 31.57 O ATOM 282 ND2 ASN A 228 -1.498 49.801 17.509 1.00 30.62 N ATOM 283 HA ASN A 228 -4.237 48.047 15.113 1.00 0.00 H ATOM 284 HB2 ASN A 228 -3.370 47.769 17.314 1.00 0.00 H ATOM 285 HB3 ASN A 228 -1.774 47.309 16.676 1.00 0.00 H ATOM 286 HD22 ASN A 228 -1.231 49.132 18.259 1.00 0.00 H ATOM 287 HD21 ASN A 228 -1.183 50.791 17.559 1.00 0.00 H ATOM 288 H ASN A 228 -2.877 45.403 15.690 1.00 0.00 H ATOM 289 N ASP A 229 -2.807 48.296 12.941 1.00 30.79 N ATOM 290 CA ASP A 229 -1.967 48.484 11.748 1.00 31.69 C ATOM 291 C ASP A 229 -0.696 49.256 12.075 1.00 32.36 C ATOM 292 O ASP A 229 0.270 49.185 11.331 1.00 31.10 O ATOM 293 CB ASP A 229 -2.735 49.220 10.644 1.00 38.15 C ATOM 294 CG ASP A 229 -4.020 48.519 10.255 1.00 40.99 C ATOM 295 OD1 ASP A 229 -4.094 47.280 10.371 1.00 43.77 O ATOM 296 OD2 ASP A 229 -4.958 49.213 9.812 1.00 46.32 O ATOM 297 HA ASP A 229 -1.693 47.490 11.395 1.00 0.00 H ATOM 298 HB2 ASP A 229 -2.978 50.222 10.997 1.00 0.00 H ATOM 299 HB3 ASP A 229 -2.097 49.291 9.763 1.00 0.00 H ATOM 300 H ASP A 229 -3.786 48.646 12.935 1.00 0.00 H ATOM 301 N GLU A 230 -0.694 49.978 13.191 1.00 25.82 N ATOM 302 CA GLU A 230 0.461 50.784 13.597 1.00 30.21 C ATOM 303 C GLU A 230 1.344 50.025 14.579 1.00 29.89 C ATOM 304 O GLU A 230 2.311 50.583 15.092 1.00 33.36 O ATOM 305 CB GLU A 230 -0.009 52.077 14.260 1.00 49.84 C ATOM 306 CG GLU A 230 -0.513 53.111 13.292 1.00 62.38 C ATOM 307 CD GLU A 230 0.611 53.695 12.470 1.00 68.76 C ATOM 308 OE1 GLU A 230 1.587 54.178 13.083 1.00 72.82 O ATOM 309 OE2 GLU A 230 0.523 53.677 11.223 1.00 73.96 O ATOM 310 HA GLU A 230 1.038 51.009 12.700 1.00 0.00 H ATOM 311 HB2 GLU A 230 -0.814 51.834 14.953 1.00 0.00 H ATOM 312 HB3 GLU A 230 0.828 52.503 14.813 1.00 0.00 H ATOM 313 HG2 GLU A 230 -1.237 52.647 12.623 1.00 0.00 H ATOM 314 HG3 GLU A 230 -0.997 53.912 13.850 1.00 0.00 H ATOM 315 H GLU A 230 -1.540 49.971 13.796 1.00 0.00 H ATOM 316 N CYS A 231 1.024 48.767 14.857 1.00 31.78 N ATOM 317 CA CYS A 231 1.859 48.015 15.803 1.00 30.51 C ATOM 318 C CYS A 231 3.296 47.958 15.258 1.00 30.41 C ATOM 319 O CYS A 231 3.524 47.541 14.135 1.00 31.24 O ATOM 320 CB CYS A 231 1.335 46.595 15.988 1.00 31.30 C ATOM 321 SG CYS A 231 2.302 45.680 17.211 1.00 30.65 S ATOM 322 HA CYS A 231 1.834 48.518 16.770 1.00 0.00 H ATOM 323 HB2 CYS A 231 1.387 46.072 15.033 1.00 0.00 H ATOM 324 HB3 CYS A 231 0.298 46.641 16.320 1.00 0.00 H ATOM 325 HG CYS A 231 1.789 44.406 17.341 1.00 0.00 H ATOM 326 H CYS A 231 0.196 48.321 14.413 1.00 0.00 H ATOM 327 N PRO A 232 4.275 48.386 16.063 1.00 37.66 N ATOM 328 CA PRO A 232 5.683 48.381 15.657 1.00 37.71 C ATOM 329 C PRO A 232 6.229 46.966 15.406 1.00 37.74 C ATOM 330 O PRO A 232 7.009 46.748 14.481 1.00 39.93 O ATOM 331 CB PRO A 232 6.389 49.045 16.840 1.00 46.03 C ATOM 332 CG PRO A 232 5.314 49.879 17.473 1.00 46.40 C ATOM 333 CD PRO A 232 4.119 48.984 17.398 1.00 44.78 C ATOM 334 HA PRO A 232 5.837 48.897 14.709 1.00 0.00 H ATOM 335 HD3 PRO A 232 4.142 48.224 18.179 1.00 0.00 H ATOM 336 HD2 PRO A 232 3.192 49.552 17.473 1.00 0.00 H ATOM 337 HG3 PRO A 232 5.151 50.801 16.915 1.00 0.00 H ATOM 338 HG2 PRO A 232 5.561 50.121 18.507 1.00 0.00 H ATOM 339 HB2 PRO A 232 6.764 48.297 17.539 1.00 0.00 H ATOM 340 HB3 PRO A 232 7.216 49.669 16.500 1.00 0.00 H ATOM 341 N ILE A 233 5.800 46.016 16.231 1.00 33.32 N ATOM 342 CA ILE A 233 6.270 44.625 16.136 1.00 32.16 C ATOM 343 C ILE A 233 5.423 43.823 15.143 1.00 28.65 C ATOM 344 O ILE A 233 5.958 43.125 14.294 1.00 28.82 O ATOM 345 CB ILE A 233 6.215 43.958 17.520 1.00 31.82 C ATOM 346 CG1 ILE A 233 7.087 44.749 18.498 1.00 35.46 C ATOM 347 CG2 ILE A 233 6.662 42.517 17.423 1.00 30.64 C ATOM 348 CD1 ILE A 233 7.026 44.255 19.928 1.00 39.47 C ATOM 349 HA ILE A 233 7.299 44.639 15.777 1.00 0.00 H ATOM 350 HB ILE A 233 5.190 43.961 17.890 1.00 0.00 H ATOM 351 HG12 ILE A 233 8.121 44.688 18.159 1.00 0.00 H ATOM 352 HG13 ILE A 233 6.761 45.789 18.482 1.00 0.00 H ATOM 353 HD11 ILE A 233 6.000 44.320 20.290 1.00 0.00 H ATOM 354 HD12 ILE A 233 7.361 43.219 19.968 1.00 0.00 H ATOM 355 HD13 ILE A 233 7.673 44.872 20.552 1.00 0.00 H ATOM 356 HG21 ILE A 233 6.004 41.979 16.740 1.00 0.00 H ATOM 357 HG22 ILE A 233 7.685 42.480 17.049 1.00 0.00 H ATOM 358 HG23 ILE A 233 6.618 42.057 18.410 1.00 0.00 H ATOM 359 H ILE A 233 5.109 46.264 16.968 1.00 0.00 H ATOM 360 N GLU A 234 4.107 43.919 15.289 1.00 28.35 N ATOM 361 CA GLU A 234 3.122 43.239 14.440 1.00 26.98 C ATOM 362 C GLU A 234 3.061 41.715 14.631 1.00 25.54 C ATOM 363 O GLU A 234 2.012 41.191 15.001 1.00 27.79 O ATOM 364 CB GLU A 234 3.345 43.520 12.940 1.00 28.90 C ATOM 365 CG GLU A 234 2.359 42.698 12.092 1.00 29.71 C ATOM 366 CD GLU A 234 2.391 42.993 10.601 1.00 28.72 C ATOM 367 OE1 GLU A 234 3.420 43.512 10.104 1.00 30.11 O ATOM 368 OE2 GLU A 234 1.381 42.681 9.923 1.00 30.37 O ATOM 369 HA GLU A 234 2.173 43.662 14.770 1.00 0.00 H ATOM 370 HB2 GLU A 234 3.190 44.581 12.745 1.00 0.00 H ATOM 371 HB3 GLU A 234 4.366 43.248 12.670 1.00 0.00 H ATOM 372 HG2 GLU A 234 2.590 41.642 12.233 1.00 0.00 H ATOM 373 HG3 GLU A 234 1.351 42.899 12.455 1.00 0.00 H ATOM 374 H GLU A 234 3.749 44.519 16.060 1.00 0.00 H ATOM 375 N TRP A 235 4.156 41.003 14.359 1.00 26.97 N ATOM 376 CA TRP A 235 4.141 39.524 14.439 1.00 26.39 C ATOM 377 C TRP A 235 4.780 38.979 15.710 1.00 27.06 C ATOM 378 O TRP A 235 5.886 39.368 16.096 1.00 29.08 O ATOM 379 CB TRP A 235 4.852 38.922 13.230 1.00 27.20 C ATOM 380 CG TRP A 235 4.176 39.230 11.945 1.00 25.37 C ATOM 381 CD1 TRP A 235 4.524 40.195 11.047 1.00 27.98 C ATOM 382 CD2 TRP A 235 3.016 38.581 11.414 1.00 27.65 C ATOM 383 NE1 TRP A 235 3.651 40.188 9.985 1.00 27.04 N ATOM 384 CE2 TRP A 235 2.716 39.207 10.186 1.00 27.07 C ATOM 385 CE3 TRP A 235 2.203 37.529 11.856 1.00 26.49 C ATOM 386 CZ2 TRP A 235 1.631 38.816 9.391 1.00 24.74 C ATOM 387 CZ3 TRP A 235 1.125 37.139 11.066 1.00 28.43 C ATOM 388 CH2 TRP A 235 0.850 37.783 9.848 1.00 30.65 C ATOM 389 HA TRP A 235 3.090 39.235 14.453 1.00 0.00 H ATOM 390 HB2 TRP A 235 5.867 39.317 13.192 1.00 0.00 H ATOM 391 HB3 TRP A 235 4.889 37.840 13.352 1.00 0.00 H ATOM 392 HE1 TRP A 235 3.693 40.824 9.163 1.00 0.00 H ATOM 393 HD1 TRP A 235 5.371 40.873 11.155 1.00 0.00 H ATOM 394 HZ2 TRP A 235 1.415 39.313 8.445 1.00 0.00 H ATOM 395 HH2 TRP A 235 -0.002 37.455 9.253 1.00 0.00 H ATOM 396 HZ3 TRP A 235 0.485 36.322 11.397 1.00 0.00 H ATOM 397 HE3 TRP A 235 2.411 37.026 12.800 1.00 0.00 H ATOM 398 H TRP A 235 5.032 41.493 14.087 1.00 0.00 H ATOM 399 N PHE A 236 4.087 38.020 16.315 1.00 30.84 N ATOM 400 CA PHE A 236 4.535 37.401 17.553 1.00 32.69 C ATOM 401 C PHE A 236 4.456 35.874 17.421 1.00 31.78 C ATOM 402 O PHE A 236 3.556 35.343 16.769 1.00 32.89 O ATOM 403 CB PHE A 236 3.625 37.844 18.706 1.00 30.83 C ATOM 404 CG PHE A 236 3.657 39.327 18.973 1.00 31.51 C ATOM 405 CD1 PHE A 236 3.058 40.225 18.090 1.00 30.08 C ATOM 406 CD2 PHE A 236 4.323 39.825 20.084 1.00 31.77 C ATOM 407 CE1 PHE A 236 3.131 41.606 18.311 1.00 31.49 C ATOM 408 CE2 PHE A 236 4.404 41.201 20.317 1.00 33.46 C ATOM 409 CZ PHE A 236 3.806 42.092 19.427 1.00 31.28 C ATOM 410 HA PHE A 236 5.563 37.704 17.753 1.00 0.00 H ATOM 411 HB2 PHE A 236 2.601 37.560 18.464 1.00 0.00 H ATOM 412 HB3 PHE A 236 3.940 37.325 19.611 1.00 0.00 H ATOM 413 HD2 PHE A 236 4.790 39.133 20.785 1.00 0.00 H ATOM 414 HE2 PHE A 236 4.934 41.576 21.193 1.00 0.00 H ATOM 415 HZ PHE A 236 3.867 43.166 19.605 1.00 0.00 H ATOM 416 HE1 PHE A 236 2.661 42.298 17.612 1.00 0.00 H ATOM 417 HD1 PHE A 236 2.526 39.847 17.217 1.00 0.00 H ATOM 418 H PHE A 236 3.194 37.701 15.889 1.00 0.00 H ATOM 419 N HIS A 237 5.404 35.170 18.034 1.00 30.98 N ATOM 420 CA HIS A 237 5.338 33.708 18.010 1.00 30.66 C ATOM 421 C HIS A 237 4.175 33.356 18.928 1.00 32.04 C ATOM 422 O HIS A 237 3.986 34.014 19.955 1.00 31.51 O ATOM 423 CB HIS A 237 6.619 33.084 18.554 1.00 30.00 C ATOM 424 CG HIS A 237 7.853 33.543 17.848 1.00 30.76 C ATOM 425 ND1 HIS A 237 8.645 34.563 18.328 1.00 30.97 N ATOM 426 CD2 HIS A 237 8.389 33.176 16.661 1.00 31.91 C ATOM 427 CE1 HIS A 237 9.615 34.809 17.464 1.00 28.53 C ATOM 428 NE2 HIS A 237 9.481 33.981 16.442 1.00 31.18 N ATOM 429 HA HIS A 237 5.212 33.335 16.994 1.00 0.00 H ATOM 430 HB2 HIS A 237 6.708 33.343 19.609 1.00 0.00 H ATOM 431 HB3 HIS A 237 6.546 32.001 18.452 1.00 0.00 H ATOM 432 HD2 HIS A 237 8.023 32.389 16.002 1.00 0.00 H ATOM 433 HE1 HIS A 237 10.392 35.565 17.575 1.00 0.00 H ATOM 434 H HIS A 237 6.183 35.653 18.525 1.00 0.00 H ATOM 435 N PHE A 238 3.399 32.341 18.556 1.00 34.54 N ATOM 436 CA PHE A 238 2.238 31.909 19.353 1.00 35.05 C ATOM 437 C PHE A 238 2.655 31.733 20.814 1.00 35.61 C ATOM 438 O PHE A 238 1.972 32.200 21.728 1.00 36.88 O ATOM 439 CB PHE A 238 1.698 30.561 18.865 1.00 34.44 C ATOM 440 CG PHE A 238 0.558 30.664 17.886 1.00 33.54 C ATOM 441 CD1 PHE A 238 -0.346 29.613 17.759 1.00 34.42 C ATOM 442 CD2 PHE A 238 0.399 31.793 17.078 1.00 33.82 C ATOM 443 CE1 PHE A 238 -1.393 29.680 16.849 1.00 36.08 C ATOM 444 CE2 PHE A 238 -0.638 31.873 16.169 1.00 35.70 C ATOM 445 CZ PHE A 238 -1.541 30.816 16.048 1.00 36.72 C ATOM 446 HA PHE A 238 1.467 32.673 19.249 1.00 0.00 H ATOM 447 HB2 PHE A 238 2.513 30.021 18.383 1.00 0.00 H ATOM 448 HB3 PHE A 238 1.353 29.998 19.732 1.00 0.00 H ATOM 449 HD2 PHE A 238 1.102 32.621 17.166 1.00 0.00 H ATOM 450 HE2 PHE A 238 -0.751 32.761 15.547 1.00 0.00 H ATOM 451 HZ PHE A 238 -2.360 30.876 15.331 1.00 0.00 H ATOM 452 HE1 PHE A 238 -2.095 28.851 16.760 1.00 0.00 H ATOM 453 HD1 PHE A 238 -0.231 28.726 18.382 1.00 0.00 H ATOM 454 H PHE A 238 3.619 31.836 17.674 1.00 0.00 H ATOM 455 N SER A 239 3.778 31.048 21.000 1.00 38.65 N ATOM 456 CA SER A 239 4.322 30.724 22.317 1.00 39.89 C ATOM 457 C SER A 239 4.590 31.970 23.167 1.00 39.22 C ATOM 458 O SER A 239 4.270 31.985 24.351 1.00 41.10 O ATOM 459 CB SER A 239 5.613 29.921 22.157 1.00 54.55 C ATOM 460 OG SER A 239 6.149 29.584 23.419 1.00 60.90 O ATOM 461 HA SER A 239 3.571 30.132 22.840 1.00 0.00 H ATOM 462 HB2 SER A 239 6.340 30.518 21.606 1.00 0.00 H ATOM 463 HB3 SER A 239 5.400 29.007 21.602 1.00 0.00 H ATOM 464 HG SER A 239 6.347 30.412 23.924 1.00 0.00 H ATOM 465 H SER A 239 4.300 30.724 20.161 1.00 0.00 H ATOM 466 N CYS A 240 5.169 33.007 22.577 1.00 36.95 N ATOM 467 CA CYS A 240 5.492 34.225 23.341 1.00 36.85 C ATOM 468 C CYS A 240 4.240 34.983 23.806 1.00 37.47 C ATOM 469 O CYS A 240 4.326 35.810 24.713 1.00 39.29 O ATOM 470 CB CYS A 240 6.376 35.143 22.509 1.00 35.70 C ATOM 471 SG CYS A 240 7.939 34.363 22.095 1.00 39.44 S ATOM 472 HA CYS A 240 6.025 33.907 24.237 1.00 0.00 H ATOM 473 HB2 CYS A 240 6.574 36.053 23.076 1.00 0.00 H ATOM 474 HB3 CYS A 240 5.853 35.398 21.587 1.00 0.00 H ATOM 475 HG CYS A 240 8.701 35.234 21.343 1.00 0.00 H ATOM 476 H CYS A 240 5.398 32.960 21.564 1.00 0.00 H ATOM 477 N VAL A 241 3.086 34.725 23.198 1.00 37.50 N ATOM 478 CA VAL A 241 1.876 35.433 23.636 1.00 37.83 C ATOM 479 C VAL A 241 0.866 34.447 24.230 1.00 38.49 C ATOM 480 O VAL A 241 -0.335 34.735 24.302 1.00 39.54 O ATOM 481 CB VAL A 241 1.233 36.234 22.485 1.00 31.87 C ATOM 482 CG1 VAL A 241 2.163 37.365 22.070 1.00 33.40 C ATOM 483 CG2 VAL A 241 0.929 35.327 21.302 1.00 31.50 C ATOM 484 HA VAL A 241 2.172 36.145 24.406 1.00 0.00 H ATOM 485 HB VAL A 241 0.290 36.658 22.831 1.00 0.00 H ATOM 486 HG11 VAL A 241 2.333 38.025 22.921 1.00 0.00 H ATOM 487 HG12 VAL A 241 3.113 36.948 21.736 1.00 0.00 H ATOM 488 HG13 VAL A 241 1.706 37.929 21.257 1.00 0.00 H ATOM 489 HG21 VAL A 241 1.855 34.876 20.944 1.00 0.00 H ATOM 490 HG22 VAL A 241 0.239 34.543 21.615 1.00 0.00 H ATOM 491 HG23 VAL A 241 0.476 35.914 20.503 1.00 0.00 H ATOM 492 H VAL A 241 3.041 34.032 22.424 1.00 0.00 H ATOM 493 N GLY A 242 1.365 33.288 24.654 1.00 39.22 N ATOM 494 CA GLY A 242 0.519 32.278 25.269 1.00 41.90 C ATOM 495 C GLY A 242 -0.610 31.707 24.435 1.00 42.36 C ATOM 496 O GLY A 242 -1.715 31.518 24.933 1.00 42.45 O ATOM 497 HA3 GLY A 242 0.075 32.722 26.160 1.00 0.00 H ATOM 498 HA2 GLY A 242 1.162 31.447 25.561 1.00 0.00 H ATOM 499 H GLY A 242 2.382 33.101 24.543 1.00 0.00 H ATOM 500 N LEU A 243 -0.339 31.407 23.172 1.00 40.05 N ATOM 501 CA LEU A 243 -1.372 30.847 22.296 1.00 41.32 C ATOM 502 C LEU A 243 -0.917 29.481 21.800 1.00 43.70 C ATOM 503 O LEU A 243 0.281 29.197 21.745 1.00 43.12 O ATOM 504 CB LEU A 243 -1.612 31.776 21.101 1.00 45.88 C ATOM 505 CG LEU A 243 -2.236 33.131 21.446 1.00 45.69 C ATOM 506 CD1 LEU A 243 -2.278 34.017 20.209 1.00 45.06 C ATOM 507 CD2 LEU A 243 -3.642 32.908 21.996 1.00 45.71 C ATOM 508 HA LEU A 243 -2.303 30.747 22.854 1.00 0.00 H ATOM 509 HB2 LEU A 243 -0.652 31.959 20.617 1.00 0.00 H ATOM 510 HB3 LEU A 243 -2.277 31.265 20.404 1.00 0.00 H ATOM 511 HG LEU A 243 -1.632 33.632 22.202 1.00 0.00 H ATOM 512 HD21 LEU A 243 -4.249 32.405 21.244 1.00 0.00 H ATOM 513 HD22 LEU A 243 -3.586 32.290 22.892 1.00 0.00 H ATOM 514 HD23 LEU A 243 -4.091 33.870 22.243 1.00 0.00 H ATOM 515 HD11 LEU A 243 -1.264 34.173 19.840 1.00 0.00 H ATOM 516 HD12 LEU A 243 -2.876 33.533 19.437 1.00 0.00 H ATOM 517 HD13 LEU A 243 -2.724 34.978 20.467 1.00 0.00 H ATOM 518 H LEU A 243 0.618 31.571 22.799 1.00 0.00 H ATOM 519 N ASN A 244 -1.880 28.636 21.452 1.00 46.09 N ATOM 520 CA ASN A 244 -1.579 27.303 20.933 1.00 50.31 C ATOM 521 C ASN A 244 -2.449 27.082 19.699 1.00 50.56 C ATOM 522 O ASN A 244 -2.230 26.145 18.935 1.00 52.57 O ATOM 523 CB ASN A 244 -1.875 26.229 21.987 1.00 73.83 C ATOM 524 CG ASN A 244 -3.351 26.113 22.306 1.00 77.03 C ATOM 525 OD1 ASN A 244 -4.009 27.101 22.625 1.00 82.63 O ATOM 526 ND2 ASN A 244 -3.877 24.897 22.230 1.00 80.59 N ATOM 527 HA ASN A 244 -0.522 27.230 20.678 1.00 0.00 H ATOM 528 HB2 ASN A 244 -1.522 25.268 21.614 1.00 0.00 H ATOM 529 HB3 ASN A 244 -1.339 26.481 22.902 1.00 0.00 H ATOM 530 HD22 ASN A 244 -3.282 24.089 21.956 1.00 0.00 H ATOM 531 HD21 ASN A 244 -4.884 24.752 22.445 1.00 0.00 H ATOM 532 H ASN A 244 -2.873 28.930 21.551 1.00 0.00 H ATOM 533 N HIS A 245 -3.435 27.959 19.517 1.00 49.26 N ATOM 534 CA HIS A 245 -4.343 27.879 18.370 1.00 50.19 C ATOM 535 C HIS A 245 -4.748 29.302 17.957 1.00 49.16 C ATOM 536 O HIS A 245 -4.785 30.221 18.775 1.00 48.34 O ATOM 537 CB HIS A 245 -5.591 27.056 18.720 1.00104.23 C ATOM 538 CG HIS A 245 -6.580 27.779 19.583 1.00108.47 C ATOM 539 ND1 HIS A 245 -6.257 28.292 20.820 1.00111.12 N ATOM 540 CD2 HIS A 245 -7.890 28.064 19.387 1.00110.88 C ATOM 541 CE1 HIS A 245 -7.325 28.862 21.351 1.00114.02 C ATOM 542 NE2 HIS A 245 -8.329 28.738 20.502 1.00114.23 N ATOM 543 HA HIS A 245 -3.834 27.383 17.543 1.00 0.00 H ATOM 544 HB2 HIS A 245 -6.088 26.776 17.791 1.00 0.00 H ATOM 545 HB3 HIS A 245 -5.271 26.156 19.246 1.00 0.00 H ATOM 546 HD2 HIS A 245 -8.484 27.807 18.510 1.00 0.00 H ATOM 547 HE1 HIS A 245 -7.369 29.351 22.324 1.00 0.00 H ATOM 548 H HIS A 245 -3.564 28.724 20.210 1.00 0.00 H ATOM 549 N LYS A 246 -5.046 29.469 16.676 1.00 47.33 N ATOM 550 CA LYS A 246 -5.454 30.763 16.137 1.00 46.98 C ATOM 551 C LYS A 246 -6.783 31.165 16.787 1.00 45.85 C ATOM 552 O LYS A 246 -7.754 30.418 16.735 1.00 46.91 O ATOM 553 CB LYS A 246 -5.612 30.645 14.620 1.00 57.83 C ATOM 554 CG LYS A 246 -6.278 31.818 13.929 1.00 60.08 C ATOM 555 CD LYS A 246 -6.415 31.516 12.445 1.00 61.82 C ATOM 556 CE LYS A 246 -7.155 32.610 11.709 1.00 65.13 C ATOM 557 NZ LYS A 246 -7.294 32.275 10.266 1.00 67.41 N ATOM 558 HA LYS A 246 -4.704 31.524 16.352 1.00 0.00 H ATOM 559 HB2 LYS A 246 -4.618 30.524 14.189 1.00 0.00 H ATOM 560 HB3 LYS A 246 -6.207 29.755 14.414 1.00 0.00 H ATOM 561 HG2 LYS A 246 -7.266 31.982 14.360 1.00 0.00 H ATOM 562 HG3 LYS A 246 -5.671 32.713 14.064 1.00 0.00 H ATOM 563 HD2 LYS A 246 -5.419 31.413 12.013 1.00 0.00 H ATOM 564 HD3 LYS A 246 -6.960 30.580 12.325 1.00 0.00 H ATOM 565 HE2 LYS A 246 -6.603 33.544 11.808 1.00 0.00 H ATOM 566 HE3 LYS A 246 -8.147 32.728 12.146 1.00 0.00 H ATOM 567 HZ1 LYS A 246 -6.350 32.166 9.844 1.00 0.00 H ATOM 568 HZ2 LYS A 246 -7.824 31.386 10.167 1.00 0.00 H ATOM 569 HZ3 LYS A 246 -7.805 33.040 9.781 1.00 0.00 H ATOM 570 H LYS A 246 -4.987 28.652 16.035 1.00 0.00 H ATOM 571 N PRO A 247 -6.827 32.342 17.436 1.00 46.37 N ATOM 572 CA PRO A 247 -8.057 32.807 18.079 1.00 46.99 C ATOM 573 C PRO A 247 -8.951 33.460 17.027 1.00 47.50 C ATOM 574 O PRO A 247 -8.459 34.037 16.066 1.00 48.38 O ATOM 575 CB PRO A 247 -7.544 33.806 19.108 1.00 54.88 C ATOM 576 CG PRO A 247 -6.394 34.431 18.390 1.00 52.78 C ATOM 577 CD PRO A 247 -5.698 33.234 17.765 1.00 53.51 C ATOM 578 HA PRO A 247 -8.661 32.026 18.541 1.00 0.00 H ATOM 579 HD3 PRO A 247 -5.149 33.521 16.868 1.00 0.00 H ATOM 580 HD2 PRO A 247 -5.016 32.762 18.472 1.00 0.00 H ATOM 581 HG3 PRO A 247 -5.734 34.952 19.083 1.00 0.00 H ATOM 582 HG2 PRO A 247 -6.739 35.128 17.626 1.00 0.00 H ATOM 583 HB2 PRO A 247 -8.305 34.546 19.356 1.00 0.00 H ATOM 584 HB3 PRO A 247 -7.217 33.304 20.019 1.00 0.00 H ATOM 585 N LYS A 248 -10.262 33.359 17.201 1.00 50.23 N ATOM 586 CA LYS A 248 -11.188 33.949 16.241 1.00 51.30 C ATOM 587 C LYS A 248 -11.314 35.446 16.533 1.00 49.85 C ATOM 588 O LYS A 248 -11.113 35.885 17.660 1.00 49.84 O ATOM 589 CB LYS A 248 -12.555 33.268 16.341 1.00 83.22 C ATOM 590 CG LYS A 248 -13.144 33.250 17.742 1.00 86.77 C ATOM 591 CD LYS A 248 -14.461 32.490 17.776 1.00 91.72 C ATOM 592 CE LYS A 248 -15.038 32.438 19.183 1.00 95.40 C ATOM 593 NZ LYS A 248 -16.324 31.686 19.231 1.00 97.01 N ATOM 594 HA LYS A 248 -10.811 33.806 15.228 1.00 0.00 H ATOM 595 HB2 LYS A 248 -13.248 33.795 15.686 1.00 0.00 H ATOM 596 HB3 LYS A 248 -12.449 32.238 16.002 1.00 0.00 H ATOM 597 HG2 LYS A 248 -12.438 32.769 18.419 1.00 0.00 H ATOM 598 HG3 LYS A 248 -13.317 34.276 18.069 1.00 0.00 H ATOM 599 HD2 LYS A 248 -15.174 32.987 17.118 1.00 0.00 H ATOM 600 HD3 LYS A 248 -14.292 31.472 17.424 1.00 0.00 H ATOM 601 HE2 LYS A 248 -15.212 33.456 19.530 1.00 0.00 H ATOM 602 HE3 LYS A 248 -14.319 31.949 19.841 1.00 0.00 H ATOM 603 HZ1 LYS A 248 -17.019 32.150 18.611 1.00 0.00 H ATOM 604 HZ2 LYS A 248 -16.166 30.710 18.908 1.00 0.00 H ATOM 605 HZ3 LYS A 248 -16.682 31.675 20.208 1.00 0.00 H ATOM 606 H LYS A 248 -10.634 32.854 18.031 1.00 0.00 H ATOM 607 N GLY A 249 -11.641 36.223 15.506 1.00 55.84 N ATOM 608 CA GLY A 249 -11.788 37.654 15.689 1.00 54.52 C ATOM 609 C GLY A 249 -10.479 38.420 15.702 1.00 53.41 C ATOM 610 O GLY A 249 -9.413 37.867 15.440 1.00 53.98 O ATOM 611 HA3 GLY A 249 -12.294 37.827 16.639 1.00 0.00 H ATOM 612 HA2 GLY A 249 -12.402 38.041 14.876 1.00 0.00 H ATOM 613 H GLY A 249 -11.792 35.803 14.567 1.00 0.00 H ATOM 614 N LYS A 250 -10.572 39.708 16.010 1.00 43.62 N ATOM 615 CA LYS A 250 -9.413 40.593 16.067 1.00 41.82 C ATOM 616 C LYS A 250 -8.545 40.184 17.252 1.00 40.14 C ATOM 617 O LYS A 250 -9.051 39.750 18.281 1.00 39.81 O ATOM 618 CB LYS A 250 -9.867 42.044 16.261 1.00 48.28 C ATOM 619 CG LYS A 250 -10.675 42.636 15.117 1.00 51.55 C ATOM 620 CD LYS A 250 -9.782 43.035 13.954 1.00 55.37 C ATOM 621 CE LYS A 250 -10.532 43.905 12.955 1.00 58.37 C ATOM 622 NZ LYS A 250 -9.631 44.439 11.891 1.00 60.20 N ATOM 623 HA LYS A 250 -8.852 40.515 15.136 1.00 0.00 H ATOM 624 HB2 LYS A 250 -10.479 42.087 17.162 1.00 0.00 H ATOM 625 HB3 LYS A 250 -8.978 42.659 16.398 1.00 0.00 H ATOM 626 HG2 LYS A 250 -11.397 41.896 14.772 1.00 0.00 H ATOM 627 HG3 LYS A 250 -11.205 43.518 15.476 1.00 0.00 H ATOM 628 HD2 LYS A 250 -8.926 43.591 14.337 1.00 0.00 H ATOM 629 HD3 LYS A 250 -9.432 42.135 13.449 1.00 0.00 H ATOM 630 HE2 LYS A 250 -10.984 44.742 13.487 1.00 0.00 H ATOM 631 HE3 LYS A 250 -11.315 43.309 12.487 1.00 0.00 H ATOM 632 HZ1 LYS A 250 -8.884 45.016 12.328 1.00 0.00 H ATOM 633 HZ2 LYS A 250 -9.200 43.647 11.373 1.00 0.00 H ATOM 634 HZ3 LYS A 250 -10.183 45.025 11.233 1.00 0.00 H ATOM 635 H LYS A 250 -11.511 40.103 16.220 1.00 0.00 H ATOM 636 N TRP A 251 -7.234 40.327 17.098 1.00 34.62 N ATOM 637 CA TRP A 251 -6.298 39.997 18.173 1.00 31.89 C ATOM 638 C TRP A 251 -5.302 41.137 18.260 1.00 30.83 C ATOM 639 O TRP A 251 -4.813 41.614 17.230 1.00 29.91 O ATOM 640 CB TRP A 251 -5.538 38.698 17.874 1.00 37.38 C ATOM 641 CG TRP A 251 -4.506 38.368 18.921 1.00 37.09 C ATOM 642 CD1 TRP A 251 -4.715 37.719 20.109 1.00 36.68 C ATOM 643 CD2 TRP A 251 -3.115 38.726 18.902 1.00 33.86 C ATOM 644 NE1 TRP A 251 -3.545 37.653 20.826 1.00 36.54 N ATOM 645 CE2 TRP A 251 -2.547 38.263 20.111 1.00 34.70 C ATOM 646 CE3 TRP A 251 -2.293 39.394 17.980 1.00 31.89 C ATOM 647 CZ2 TRP A 251 -1.195 38.448 20.425 1.00 34.70 C ATOM 648 CZ3 TRP A 251 -0.938 39.576 18.295 1.00 29.59 C ATOM 649 CH2 TRP A 251 -0.410 39.104 19.507 1.00 32.87 C ATOM 650 HA TRP A 251 -6.846 39.857 19.105 1.00 0.00 H ATOM 651 HB2 TRP A 251 -6.255 37.879 17.822 1.00 0.00 H ATOM 652 HB3 TRP A 251 -5.037 38.802 16.912 1.00 0.00 H ATOM 653 HE1 TRP A 251 -3.434 37.211 21.761 1.00 0.00 H ATOM 654 HD1 TRP A 251 -5.672 37.313 20.438 1.00 0.00 H ATOM 655 HZ2 TRP A 251 -0.779 38.084 21.365 1.00 0.00 H ATOM 656 HH2 TRP A 251 0.646 39.261 19.725 1.00 0.00 H ATOM 657 HZ3 TRP A 251 -0.286 40.091 17.589 1.00 0.00 H ATOM 658 HE3 TRP A 251 -2.699 39.764 17.039 1.00 0.00 H ATOM 659 H TRP A 251 -6.864 40.682 16.193 1.00 0.00 H ATOM 660 N TYR A 252 -4.998 41.567 19.482 1.00 35.30 N ATOM 661 CA TYR A 252 -4.037 42.653 19.697 1.00 34.31 C ATOM 662 C TYR A 252 -2.939 42.137 20.625 1.00 33.02 C ATOM 663 O TYR A 252 -3.209 41.365 21.539 1.00 34.99 O ATOM 664 CB TYR A 252 -4.734 43.879 20.311 1.00 34.07 C ATOM 665 CG TYR A 252 -5.900 44.365 19.480 1.00 33.56 C ATOM 666 CD1 TYR A 252 -7.190 43.903 19.718 1.00 35.59 C ATOM 667 CD2 TYR A 252 -5.697 45.220 18.395 1.00 34.04 C ATOM 668 CE1 TYR A 252 -8.252 44.275 18.892 1.00 35.89 C ATOM 669 CE2 TYR A 252 -6.746 45.591 17.562 1.00 33.53 C ATOM 670 CZ TYR A 252 -8.023 45.112 17.815 1.00 35.94 C ATOM 671 OH TYR A 252 -9.059 45.448 16.975 1.00 37.22 O ATOM 672 HA TYR A 252 -3.606 42.964 18.746 1.00 0.00 H ATOM 673 HB3 TYR A 252 -4.007 44.686 20.398 1.00 0.00 H ATOM 674 HB2 TYR A 252 -5.099 43.612 21.303 1.00 0.00 H ATOM 675 HD2 TYR A 252 -4.696 45.604 18.197 1.00 0.00 H ATOM 676 HE2 TYR A 252 -6.566 46.254 16.716 1.00 0.00 H ATOM 677 HE1 TYR A 252 -9.258 43.907 19.095 1.00 0.00 H ATOM 678 HD1 TYR A 252 -7.375 43.240 20.563 1.00 0.00 H ATOM 679 HH TYR A 252 -8.858 45.127 16.060 1.00 0.00 H ATOM 680 H TYR A 252 -5.453 41.122 20.304 1.00 0.00 H ATOM 681 N CYS A 253 -1.705 42.565 20.382 1.00 35.87 N ATOM 682 CA CYS A 253 -0.577 42.125 21.193 1.00 35.57 C ATOM 683 C CYS A 253 -0.716 42.687 22.625 1.00 38.31 C ATOM 684 O CYS A 253 -1.510 43.598 22.880 1.00 37.69 O ATOM 685 CB CYS A 253 0.745 42.579 20.563 1.00 33.24 C ATOM 686 SG CYS A 253 1.153 44.332 20.760 1.00 32.06 S ATOM 687 HA CYS A 253 -0.575 41.036 21.239 1.00 0.00 H ATOM 688 HB2 CYS A 253 0.698 42.365 19.495 1.00 0.00 H ATOM 689 HB3 CYS A 253 1.548 41.996 21.014 1.00 0.00 H ATOM 690 HG CYS A 253 0.165 45.101 20.179 1.00 0.00 H ATOM 691 H CYS A 253 -1.541 43.227 19.597 1.00 0.00 H ATOM 692 N PRO A 254 0.051 42.136 23.578 1.00 40.99 N ATOM 693 CA PRO A 254 -0.005 42.591 24.970 1.00 43.49 C ATOM 694 C PRO A 254 0.129 44.115 25.161 1.00 44.38 C ATOM 695 O PRO A 254 -0.679 44.735 25.852 1.00 45.30 O ATOM 696 CB PRO A 254 1.143 41.824 25.624 1.00 38.91 C ATOM 697 CG PRO A 254 1.122 40.527 24.887 1.00 38.41 C ATOM 698 CD PRO A 254 0.955 40.979 23.443 1.00 37.34 C ATOM 699 HA PRO A 254 -0.981 42.395 25.413 1.00 0.00 H ATOM 700 HD3 PRO A 254 1.910 41.273 23.008 1.00 0.00 H ATOM 701 HD2 PRO A 254 0.505 40.195 22.833 1.00 0.00 H ATOM 702 HG3 PRO A 254 0.286 39.905 25.206 1.00 0.00 H ATOM 703 HG2 PRO A 254 2.054 39.979 25.024 1.00 0.00 H ATOM 704 HB2 PRO A 254 2.093 42.341 25.486 1.00 0.00 H ATOM 705 HB3 PRO A 254 0.963 41.676 26.689 1.00 0.00 H ATOM 706 N LYS A 255 1.146 44.708 24.547 1.00 42.63 N ATOM 707 CA LYS A 255 1.376 46.148 24.685 1.00 44.90 C ATOM 708 C LYS A 255 0.197 46.937 24.104 1.00 43.88 C ATOM 709 O LYS A 255 -0.311 47.844 24.744 1.00 43.69 O ATOM 710 CB LYS A 255 2.668 46.560 23.983 1.00 61.04 C ATOM 711 CG LYS A 255 3.021 48.025 24.192 1.00 65.87 C ATOM 712 CD LYS A 255 4.403 48.352 23.656 1.00 69.25 C ATOM 713 CE LYS A 255 4.768 49.804 23.932 1.00 72.24 C ATOM 714 NZ LYS A 255 6.152 50.133 23.483 1.00 75.46 N ATOM 715 HA LYS A 255 1.467 46.374 25.747 1.00 0.00 H ATOM 716 HB2 LYS A 255 3.483 45.948 24.369 1.00 0.00 H ATOM 717 HB3 LYS A 255 2.555 46.379 22.914 1.00 0.00 H ATOM 718 HG2 LYS A 255 2.286 48.643 23.676 1.00 0.00 H ATOM 719 HG3 LYS A 255 2.994 48.246 25.259 1.00 0.00 H ATOM 720 HD2 LYS A 255 5.135 47.703 24.137 1.00 0.00 H ATOM 721 HD3 LYS A 255 4.418 48.179 22.580 1.00 0.00 H ATOM 722 HE2 LYS A 255 4.694 49.987 25.004 1.00 0.00 H ATOM 723 HE3 LYS A 255 4.065 50.449 23.405 1.00 0.00 H ATOM 724 HZ1 LYS A 255 6.832 49.527 23.986 1.00 0.00 H ATOM 725 HZ2 LYS A 255 6.231 49.969 22.459 1.00 0.00 H ATOM 726 HZ3 LYS A 255 6.355 51.131 23.692 1.00 0.00 H ATOM 727 H LYS A 255 1.790 44.141 23.959 1.00 0.00 H ATOM 728 N CYS A 256 -0.236 46.585 22.898 1.00 39.79 N ATOM 729 CA CYS A 256 -1.346 47.295 22.261 1.00 39.22 C ATOM 730 C CYS A 256 -2.644 47.054 23.025 1.00 42.10 C ATOM 731 O CYS A 256 -3.555 47.873 22.962 1.00 42.22 O ATOM 732 CB CYS A 256 -1.502 46.859 20.800 1.00 37.33 C ATOM 733 SG CYS A 256 -0.241 47.549 19.700 1.00 31.09 S ATOM 734 HA CYS A 256 -1.123 48.362 22.281 1.00 0.00 H ATOM 735 HB2 CYS A 256 -2.482 47.181 20.447 1.00 0.00 H ATOM 736 HB3 CYS A 256 -1.441 45.772 20.756 1.00 0.00 H ATOM 737 HG CYS A 256 -0.462 47.103 18.413 1.00 0.00 H ATOM 738 H CYS A 256 0.220 45.794 22.400 1.00 0.00 H ATOM 739 N ARG A 257 -2.740 45.938 23.743 1.00 44.77 N ATOM 740 CA ARG A 257 -3.965 45.654 24.500 1.00 49.38 C ATOM 741 C ARG A 257 -3.856 46.340 25.859 1.00 50.96 C ATOM 742 O ARG A 257 -4.817 46.386 26.615 1.00 50.76 O ATOM 743 CB ARG A 257 -4.159 44.145 24.697 1.00 66.58 C ATOM 744 CG ARG A 257 -3.305 43.546 25.802 1.00 71.68 C ATOM 745 CD ARG A 257 -3.502 42.040 25.918 1.00 76.44 C ATOM 746 NE ARG A 257 -3.104 41.345 24.697 1.00 80.69 N ATOM 747 CZ ARG A 257 -3.059 40.024 24.570 1.00 83.60 C ATOM 748 NH1 ARG A 257 -3.387 39.246 25.592 1.00 85.42 N ATOM 749 NH2 ARG A 257 -2.683 39.480 23.420 1.00 85.13 N ATOM 750 HA ARG A 257 -4.825 46.030 23.945 1.00 0.00 H ATOM 751 HB2 ARG A 257 -5.206 43.963 24.938 1.00 0.00 H ATOM 752 HB3 ARG A 257 -3.910 43.643 23.762 1.00 0.00 H ATOM 753 HG2 ARG A 257 -2.256 43.749 25.587 1.00 0.00 H ATOM 754 HG3 ARG A 257 -3.577 44.011 26.749 1.00 0.00 H ATOM 755 HD2 ARG A 257 -4.555 41.836 26.113 1.00 0.00 H ATOM 756 HD3 ARG A 257 -2.901 41.668 26.748 1.00 0.00 H ATOM 757 HE ARG A 257 -2.839 41.922 23.873 1.00 0.00 H ATOM 758 HH12 ARG A 257 -3.351 38.212 25.491 1.00 0.00 H ATOM 759 HH11 ARG A 257 -3.680 39.670 26.495 1.00 0.00 H ATOM 760 HH22 ARG A 257 -2.648 38.445 23.321 1.00 0.00 H ATOM 761 HH21 ARG A 257 -2.423 40.088 22.617 1.00 0.00 H ATOM 762 H ARG A 257 -1.946 45.266 23.768 1.00 0.00 H ATOM 763 N GLY A 258 -2.676 46.873 26.158 1.00 61.00 N ATOM 764 CA GLY A 258 -2.468 47.548 27.427 1.00 65.83 C ATOM 765 C GLY A 258 -2.090 46.595 28.546 1.00 69.07 C ATOM 766 O GLY A 258 -2.750 46.549 29.585 1.00 68.79 O ATOM 767 HA3 GLY A 258 -3.389 48.062 27.703 1.00 0.00 H ATOM 768 HA2 GLY A 258 -1.668 48.278 27.306 1.00 0.00 H ATOM 769 H GLY A 258 -1.893 46.806 25.476 1.00 0.00 H ATOM 770 N GLU A 259 -1.021 45.835 28.333 1.00 80.04 N ATOM 771 CA GLU A 259 -0.546 44.872 29.324 1.00 83.84 C ATOM 772 C GLU A 259 0.545 45.538 30.156 1.00 86.25 C ATOM 773 O GLU A 259 0.410 45.569 31.398 1.00 89.67 O ATOM 774 CB GLU A 259 0.021 43.635 28.625 1.00124.29 C ATOM 775 CG GLU A 259 0.345 42.484 29.557 1.00125.68 C ATOM 776 CD GLU A 259 -0.892 41.924 30.230 1.00130.66 C ATOM 777 OE1 GLU A 259 -1.819 41.502 29.506 1.00134.03 O ATOM 778 OE2 GLU A 259 -0.936 41.906 31.479 1.00134.10 O ATOM 779 HA GLU A 259 -1.372 44.560 29.964 1.00 0.00 H ATOM 780 HB2 GLU A 259 -0.712 43.288 27.896 1.00 0.00 H ATOM 781 HB3 GLU A 259 0.936 43.924 28.108 1.00 0.00 H ATOM 782 HG2 GLU A 259 0.821 41.690 28.982 1.00 0.00 H ATOM 783 HG3 GLU A 259 1.033 42.837 30.325 1.00 0.00 H ATOM 784 H GLU A 259 -0.507 45.928 27.434 1.00 0.00 H TER 785 GLU A 259 HETATM 786 ZN ZN A 1 8.679 35.505 20.303 1.00 35.39 ZN HETATM 787 ZN ZN A 2 0.448 45.405 18.739 1.00 36.25 ZN HETATM 788 O HOH 3 -0.126 44.918 12.250 1.00 38.17 O HETATM 789 O HOH 4 5.024 29.315 19.117 1.00 36.71 O HETATM 790 O HOH 5 -5.493 49.179 12.886 1.00 38.57 O HETATM 791 O HOH 6 -4.822 39.123 14.354 1.00 36.83 O HETATM 792 O HOH 7 11.125 33.102 21.006 1.00 38.35 O HETATM 793 O HOH 8 5.604 30.725 16.708 1.00 34.54 O HETATM 794 O HOH 9 1.706 47.065 12.014 1.00 36.75 O HETATM 795 O HOH 10 -7.269 48.125 8.946 1.00 49.85 O HETATM 796 O HOH 11 5.983 43.207 10.357 1.00 46.43 O HETATM 797 O HOH 12 -1.235 52.461 18.341 1.00 41.63 O HETATM 798 O HOH 13 8.004 31.633 24.048 1.00 42.79 O HETATM 799 O HOH 14 -6.572 40.515 21.762 1.00 46.32 O HETATM 800 O HOH 15 12.411 35.502 9.997 1.00 53.72 O HETATM 801 O HOH 16 10.146 42.681 16.792 1.00 45.72 O HETATM 802 O HOH 17 -5.706 44.069 10.881 1.00 46.17 O HETATM 803 O HOH 18 11.143 42.748 11.126 1.00 55.28 O HETATM 804 O HOH 19 8.783 42.703 14.107 1.00 42.10 O HETATM 805 O HOH 20 13.197 42.228 16.400 1.00 52.34 O HETATM 806 O HOH 21 14.268 42.372 11.489 1.00 54.18 O HETATM 807 O HOH 22 -8.267 39.766 12.436 1.00 46.77 O HETATM 808 O HOH 23 -1.348 50.306 24.773 1.00 47.25 O HETATM 809 O HOH 24 8.729 48.781 13.344 1.00 49.58 O HETATM 810 O HOH 25 -1.772 31.612 28.158 1.00 59.17 O HETATM 811 O HOH 26 -2.432 36.538 23.213 1.00 50.41 O HETATM 812 O HOH 27 -0.286 26.399 15.021 1.00 52.75 O HETATM 813 O HOH 28 9.861 36.324 7.220 1.00 55.61 O HETATM 814 O HOH 29 -2.887 25.369 16.425 1.00 60.57 O HETATM 815 O HOH 30 7.680 45.267 11.980 1.00 45.30 O HETATM 816 O HOH 31 1.645 26.044 17.502 1.00 58.47 O HETATM 817 O HOH 32 3.985 53.484 12.407 1.00 53.88 O HETATM 818 O HOH 33 6.685 51.116 13.160 1.00 57.52 O HETATM 819 O HOH 34 -9.011 46.394 14.368 1.00 57.71 O HETATM 820 O HOH 35 11.333 32.725 24.111 1.00 61.29 O HETATM 821 O HOH 36 7.090 36.949 26.537 1.00 59.45 O HETATM 822 O HOH 37 -4.626 51.560 8.479 1.00 53.40 O HETATM 823 O HOH 38 -8.771 37.214 18.968 1.00 56.52 O HETATM 824 O HOH 39 18.708 36.645 11.899 1.00 51.85 O HETATM 825 O HOH 40 -2.578 23.513 18.952 1.00 54.31 O HETATM 826 O HOH 41 -2.343 39.727 7.280 1.00 47.89 O HETATM 827 O HOH 42 7.912 32.645 6.946 1.00 47.87 O HETATM 828 O HOH 43 10.962 33.232 7.423 1.00 55.97 O HETATM 829 N ALA A 44 -8.416 35.991 13.641 1.00 0.24 N HETATM 830 CA ALA A 44 -7.125 36.728 13.718 1.00 0.06 C HETATM 831 C ALA A 44 -6.287 36.453 12.472 1.00 0.23 C HETATM 832 O ALA A 44 -6.654 35.627 11.639 1.00 -0.39 O HETATM 833 N ALA A 44 -5.170 37.162 12.344 1.00 -0.26 N HETATM 834 CA ALA A 44 -4.275 36.977 11.201 1.00 0.13 C HETATM 835 C ALA A 44 -3.078 36.157 11.684 1.00 0.20 C HETATM 836 O ALA A 44 -2.406 36.536 12.636 1.00 -0.39 O HETATM 837 N ALA A 44 -2.830 35.026 11.032 1.00 -0.26 N HETATM 838 CA ALA A 44 -1.703 34.173 11.397 1.00 0.16 C HETATM 839 C ALA A 44 -1.081 33.639 10.120 1.00 0.21 C HETATM 840 O ALA A 44 -1.725 33.592 9.076 1.00 -0.39 O HETATM 841 N ALA A 44 0.180 33.233 10.218 1.00 -0.26 N HETATM 842 CA ALA A 44 0.886 32.663 9.085 1.00 0.13 C HETATM 843 CB ALA A 44 1.590 33.724 8.218 1.00 -0.01 C HETATM 844 CG ALA A 44 2.797 34.408 8.880 1.00 -0.04 C HETATM 845 CD ALA A 44 3.464 35.445 7.967 1.00 -0.01 C HETATM 846 CE ALA A 44 4.541 36.272 8.689 1.00 -0.03 C HETATM 847 NZ ALA A 44 5.364 37.161 7.763 1.00 0.24 N HETATM 848 CM1 ALA A 44 4.525 38.250 7.184 1.00 -0.04 C HETATM 849 H38 ALA A 44 5.142 38.875 6.521 1.00 0.08 H HETATM 850 H39 ALA A 44 4.116 38.869 7.996 1.00 0.08 H HETATM 851 H40 ALA A 44 3.699 37.809 6.607 1.00 0.08 H HETATM 852 CM2 ALA A 44 5.988 36.522 6.557 1.00 -0.04 C HETATM 853 H41 ALA A 44 6.637 35.693 6.876 1.00 0.08 H HETATM 854 H42 ALA A 44 6.587 37.269 6.015 1.00 0.08 H HETATM 855 H43 ALA A 44 5.198 36.136 5.896 1.00 0.08 H HETATM 856 CM3 ALA A 44 6.458 37.812 8.543 1.00 -0.04 C HETATM 857 H44 ALA A 44 6.035 38.292 9.438 1.00 0.08 H HETATM 858 H45 ALA A 44 6.952 38.571 7.918 1.00 0.08 H HETATM 859 H46 ALA A 44 7.193 37.053 8.848 1.00 0.08 H HETATM 860 H36 ALA A 44 5.225 35.578 9.200 1.00 0.08 H HETATM 861 H37 ALA A 44 4.045 36.913 9.433 1.00 0.08 H HETATM 862 H34 ALA A 44 2.690 36.130 7.589 1.00 0.03 H HETATM 863 H35 ALA A 44 3.933 34.919 7.122 1.00 0.03 H HETATM 864 H32 ALA A 44 3.539 33.639 9.139 1.00 0.03 H HETATM 865 H33 ALA A 44 2.457 34.913 9.796 1.00 0.03 H HETATM 866 H30 ALA A 44 0.854 34.501 7.965 1.00 0.03 H HETATM 867 H31 ALA A 44 1.938 33.235 7.296 1.00 0.03 H HETATM 868 C ALA A 44 1.885 31.642 9.614 1.00 0.20 C HETATM 869 O ALA A 44 2.383 31.770 10.736 1.00 -0.39 O HETATM 870 N ALA A 44 2.149 30.622 8.806 1.00 -0.26 N HETATM 871 CA ALA A 44 3.094 29.566 9.166 1.00 0.13 C HETATM 872 C ALA A 44 4.459 29.979 8.645 1.00 0.20 C HETATM 873 O ALA A 44 4.572 30.532 7.558 1.00 -0.39 O HETATM 874 N ALA A 44 5.500 29.719 9.422 1.00 -0.26 N HETATM 875 CA ALA A 44 6.847 30.069 8.990 1.00 0.16 C HETATM 876 C ALA A 44 7.166 29.243 7.733 1.00 0.21 C HETATM 877 O ALA A 44 6.845 28.056 7.667 1.00 -0.39 O HETATM 878 N ALA A 44 7.780 29.881 6.740 1.00 -0.26 N HETATM 879 CA ALA A 44 8.147 29.205 5.484 1.00 0.13 C HETATM 880 C ALA A 44 9.623 29.494 5.207 1.00 0.20 C HETATM 881 O ALA A 44 10.102 30.600 5.461 1.00 -0.39 O HETATM 882 N ALA A 44 10.340 28.504 4.685 1.00 -0.26 N HETATM 883 CA ALA A 44 11.768 28.669 4.395 1.00 0.14 C HETATM 884 C ALA A 44 11.940 29.762 3.339 1.00 0.26 C HETATM 885 O ALA A 44 10.915 30.217 2.788 1.00 -0.37 O HETATM 886 O ALA A 44 13.148 30.216 3.016 1.00 -0.29 O HETATM 887 H80 ALA A 44 13.306 30.063 2.092 1.00 0.25 H HETATM 888 CB ALA A 44 12.365 27.353 3.883 1.00 -0.01 C HETATM 889 CG ALA A 44 12.154 27.085 2.397 1.00 -0.02 C HETATM 890 CD ALA A 44 10.685 27.087 2.007 1.00 0.06 C HETATM 891 NE ALA A 44 10.505 26.870 0.573 1.00 -0.27 N HETATM 892 CZ ALA A 44 10.979 27.675 -0.375 1.00 0.29 C HETATM 893 NH1 ALA A 44 11.668 28.761 -0.049 1.00 -0.28 N HETATM 894 H76 ALA A 44 12.033 29.380 -0.787 1.00 0.26 H HETATM 895 H77 ALA A 44 11.838 28.985 0.942 1.00 0.26 H HETATM 896 NH2 ALA A 44 10.765 27.392 -1.653 1.00 -0.28 N HETATM 897 H78 ALA A 44 10.231 26.550 -1.912 1.00 0.26 H HETATM 898 H79 ALA A 44 11.133 28.014 -2.387 1.00 0.26 H HETATM 899 H75 ALA A 44 9.976 26.038 0.276 1.00 0.26 H HETATM 900 H73 ALA A 44 10.246 28.058 2.278 1.00 0.07 H HETATM 901 H74 ALA A 44 10.169 26.285 2.556 1.00 0.07 H HETATM 902 H71 ALA A 44 12.582 26.102 2.152 1.00 0.03 H HETATM 903 H72 ALA A 44 12.673 27.865 1.821 1.00 0.03 H HETATM 904 H69 ALA A 44 11.906 26.528 4.447 1.00 0.03 H HETATM 905 H70 ALA A 44 13.448 27.372 4.076 1.00 0.03 H HETATM 906 H68 ALA A 44 12.292 28.967 5.315 1.00 0.08 H HETATM 907 H67 ALA A 44 9.897 27.630 4.486 1.00 0.19 H HETATM 908 CB ALA A 44 7.282 29.722 4.336 1.00 -0.02 C HETATM 909 H64 ALA A 44 7.565 29.210 3.404 1.00 0.03 H HETATM 910 H65 ALA A 44 7.435 30.805 4.221 1.00 0.03 H HETATM 911 H66 ALA A 44 6.223 29.523 4.556 1.00 0.03 H HETATM 912 H63 ALA A 44 7.997 28.120 5.590 1.00 0.08 H HETATM 913 H62 ALA A 44 7.999 30.850 6.850 1.00 0.19 H HETATM 914 CB ALA A 44 7.872 29.766 10.100 1.00 0.09 C HETATM 915 OG1 ALA A 44 7.615 30.618 11.223 1.00 -0.39 O HETATM 916 H58 ALA A 44 7.694 31.526 10.955 1.00 0.21 H HETATM 917 CG2 ALA A 44 9.288 30.002 9.607 1.00 -0.03 C HETATM 918 H59 ALA A 44 10.000 29.779 10.416 1.00 0.03 H HETATM 919 H60 ALA A 44 9.399 31.052 9.300 1.00 0.03 H HETATM 920 H61 ALA A 44 9.492 29.345 8.748 1.00 0.03 H HETATM 921 H57 ALA A 44 7.769 28.715 10.408 1.00 0.06 H HETATM 922 H56 ALA A 44 6.888 31.141 8.747 1.00 0.08 H HETATM 923 H55 ALA A 44 5.361 29.280 10.310 1.00 0.19 H HETATM 924 CB ALA A 44 2.683 28.241 8.520 1.00 0.00 C HETATM 925 CG ALA A 44 1.476 27.575 9.152 1.00 0.04 C HETATM 926 CD ALA A 44 1.785 26.982 10.515 1.00 0.17 C HETATM 927 OE1 ALA A 44 2.176 27.690 11.441 1.00 -0.40 O HETATM 928 NE2 ALA A 44 1.611 25.671 10.641 1.00 -0.30 N HETATM 929 H53 ALA A 44 1.798 25.224 11.515 1.00 0.18 H HETATM 930 H54 ALA A 44 1.293 25.132 9.861 1.00 0.18 H HETATM 931 H51 ALA A 44 1.129 26.770 8.488 1.00 0.05 H HETATM 932 H52 ALA A 44 0.679 28.325 9.266 1.00 0.05 H HETATM 933 H49 ALA A 44 3.533 27.547 8.591 1.00 0.03 H HETATM 934 H50 ALA A 44 2.453 28.433 7.462 1.00 0.03 H HETATM 935 H48 ALA A 44 3.126 29.448 10.259 1.00 0.08 H HETATM 936 H47 ALA A 44 1.686 30.574 7.921 1.00 0.19 H HETATM 937 H29 ALA A 44 0.154 32.143 8.449 1.00 0.08 H HETATM 938 H28 ALA A 44 0.654 33.322 11.094 1.00 0.19 H HETATM 939 CB ALA A 44 -2.142 32.956 12.240 1.00 0.09 C HETATM 940 OG1 ALA A 44 -3.010 32.125 11.461 1.00 -0.39 O HETATM 941 H24 ALA A 44 -2.549 31.825 10.687 1.00 0.21 H HETATM 942 CG2 ALA A 44 -2.868 33.410 13.497 1.00 -0.03 C HETATM 943 H25 ALA A 44 -3.172 32.530 14.083 1.00 0.03 H HETATM 944 H26 ALA A 44 -3.760 33.989 13.216 1.00 0.03 H HETATM 945 H27 ALA A 44 -2.197 34.039 14.101 1.00 0.03 H HETATM 946 H23 ALA A 44 -1.251 32.380 12.529 1.00 0.06 H HETATM 947 H22 ALA A 44 -0.967 34.764 11.962 1.00 0.08 H HETATM 948 H21 ALA A 44 -3.427 34.754 10.277 1.00 0.19 H HETATM 949 CB ALA A 44 -3.784 38.328 10.667 1.00 -0.01 C HETATM 950 CG ALA A 44 -4.888 39.263 10.164 1.00 -0.02 C HETATM 951 CD ALA A 44 -4.300 40.564 9.598 1.00 0.06 C HETATM 952 NE ALA A 44 -3.458 41.263 10.569 1.00 -0.27 N HETATM 953 CZ ALA A 44 -2.139 41.407 10.463 1.00 0.29 C HETATM 954 NH1 ALA A 44 -1.490 40.903 9.424 1.00 -0.28 N HETATM 955 H17 ALA A 44 -0.469 41.019 9.349 1.00 0.26 H HETATM 956 H18 ALA A 44 -2.006 40.396 8.691 1.00 0.26 H HETATM 957 NH2 ALA A 44 -1.462 42.052 11.403 1.00 -0.28 N HETATM 958 H19 ALA A 44 -1.957 42.447 12.215 1.00 0.26 H HETATM 959 H20 ALA A 44 -0.441 42.157 11.321 1.00 0.26 H HETATM 960 H16 ALA A 44 -3.919 41.673 11.394 1.00 0.26 H HETATM 961 H14 ALA A 44 -5.127 41.227 9.305 1.00 0.07 H HETATM 962 H15 ALA A 44 -3.693 40.322 8.713 1.00 0.07 H HETATM 963 H12 ALA A 44 -5.560 39.507 11.000 1.00 0.03 H HETATM 964 H13 ALA A 44 -5.457 38.753 9.373 1.00 0.03 H HETATM 965 H10 ALA A 44 -3.094 38.135 9.833 1.00 0.03 H HETATM 966 H11 ALA A 44 -3.245 38.840 11.478 1.00 0.03 H HETATM 967 H9 ALA A 44 -4.802 36.438 10.400 1.00 0.08 H HETATM 968 H8 ALA A 44 -4.936 37.837 13.044 1.00 0.19 H HETATM 969 CB ALA A 44 -6.358 36.304 14.971 1.00 -0.00 C HETATM 970 H5 ALA A 44 -5.406 36.852 15.021 1.00 0.03 H HETATM 971 H6 ALA A 44 -6.157 35.223 14.930 1.00 0.03 H HETATM 972 H7 ALA A 44 -6.959 36.531 15.864 1.00 0.03 H HETATM 973 H4 ALA A 44 -7.333 37.807 13.775 1.00 0.11 H HETATM 974 H1 ALA A 44 -8.960 36.180 14.468 1.00 0.20 H HETATM 975 H2 ALA A 44 -8.235 35.002 13.577 1.00 0.20 H HETATM 976 H3 ALA A 44 -8.927 36.293 12.826 1.00 0.20 H CONECT 1 2 15 16 17 CONECT 15 1 CONECT 16 1 CONECT 17 1 CONECT 72 71 76 786 CONECT 102 101 106 786 CONECT 257 256 261 787 CONECT 321 320 325 787 CONECT 425 424 427 786 CONECT 471 470 475 786 CONECT 686 685 690 787 CONECT 733 732 737 787 CONECT 786 72 102 425 471 CONECT 787 257 321 686 733 CONECT 829 830 974 975 976 CONECT 830 829 831 969 973 CONECT 831 830 832 833 CONECT 832 831 CONECT 833 831 834 968 CONECT 834 833 835 949 967 CONECT 835 834 836 837 CONECT 836 835 CONECT 837 835 838 948 CONECT 838 837 839 939 947 CONECT 839 838 840 841 CONECT 840 839 CONECT 841 839 842 938 CONECT 842 841 843 868 937 CONECT 843 842 844 866 867 CONECT 844 843 845 864 865 CONECT 845 844 846 862 863 CONECT 846 845 847 860 861 CONECT 847 846 848 852 856 CONECT 848 847 849 850 851 CONECT 849 848 CONECT 850 848 CONECT 851 848 CONECT 852 847 853 854 855 CONECT 853 852 CONECT 854 852 CONECT 855 852 CONECT 856 847 857 858 859 CONECT 857 856 CONECT 858 856 CONECT 859 856 CONECT 860 846 CONECT 861 846 CONECT 862 845 CONECT 863 845 CONECT 864 844 CONECT 865 844 CONECT 866 843 CONECT 867 843 CONECT 868 842 869 870 CONECT 869 868 CONECT 870 868 871 936 CONECT 871 870 872 924 935 CONECT 872 871 873 874 CONECT 873 872 CONECT 874 872 875 923 CONECT 875 874 876 914 922 CONECT 876 875 877 878 CONECT 877 876 CONECT 878 876 879 913 CONECT 879 878 880 908 912 CONECT 880 879 881 882 CONECT 881 880 CONECT 882 880 883 907 CONECT 883 882 884 888 906 CONECT 884 883 885 886 CONECT 885 884 CONECT 886 884 887 CONECT 887 886 CONECT 888 883 889 904 905 CONECT 889 888 890 902 903 CONECT 890 889 891 900 901 CONECT 891 890 892 899 CONECT 892 891 893 896 CONECT 893 892 894 895 CONECT 894 893 CONECT 895 893 CONECT 896 892 897 898 CONECT 897 896 CONECT 898 896 CONECT 899 891 CONECT 900 890 CONECT 901 890 CONECT 902 889 CONECT 903 889 CONECT 904 888 CONECT 905 888 CONECT 906 883 CONECT 907 882 CONECT 908 879 909 910 911 CONECT 909 908 CONECT 910 908 CONECT 911 908 CONECT 912 879 CONECT 913 878 CONECT 914 875 915 917 921 CONECT 915 914 916 CONECT 916 915 CONECT 917 914 918 919 920 CONECT 918 917 CONECT 919 917 CONECT 920 917 CONECT 921 914 CONECT 922 875 CONECT 923 874 CONECT 924 871 925 933 934 CONECT 925 924 926 931 932 CONECT 926 925 927 928 CONECT 927 926 CONECT 928 926 929 930 CONECT 929 928 CONECT 930 928 CONECT 931 925 CONECT 932 925 CONECT 933 924 CONECT 934 924 CONECT 935 871 CONECT 936 870 CONECT 937 842 CONECT 938 841 CONECT 939 838 940 942 946 CONECT 940 939 941 CONECT 941 940 CONECT 942 939 943 944 945 CONECT 943 942 CONECT 944 942 CONECT 945 942 CONECT 946 939 CONECT 947 838 CONECT 948 837 CONECT 949 834 950 965 966 CONECT 950 949 951 963 964 CONECT 951 950 952 961 962 CONECT 952 951 953 960 CONECT 953 952 954 957 CONECT 954 953 955 956 CONECT 955 954 CONECT 956 954 CONECT 957 953 958 959 CONECT 958 957 CONECT 959 957 CONECT 960 952 CONECT 961 951 CONECT 962 951 CONECT 963 950 CONECT 964 950 CONECT 965 949 CONECT 966 949 CONECT 967 834 CONECT 968 833 CONECT 969 830 970 971 972 CONECT 970 969 CONECT 971 969 CONECT 972 969 CONECT 973 830 CONECT 974 829 CONECT 975 829 CONECT 976 829 MASTER 0 0 0 0 0 0 0 0 975 1 162 4 END
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12-mer
4qh7
RCSB PDB
PDBbind
12-mer
4rxz
RCSB PDB
PDBbind
12-mer
4twt
RCSB PDB
PDBbind
12-mer
4u7t
RCSB PDB
PDBbind
12-mer
4ux9
RCSB PDB
PDBbind
12-mer
4w50
RCSB PDB
PDBbind
12-mer
4wht
RCSB PDB
PDBbind
12-mer
4why
RCSB PDB
PDBbind
12-mer
4x8p
RCSB PDB
PDBbind
12-mer
4yhz
RCSB PDB
PDBbind
12-mer
4ym4
RCSB PDB
PDBbind
12-mer
4z2o
RCSB PDB
PDBbind
12-mer
4z2p
RCSB PDB
PDBbind
12-mer
4z68
RCSB PDB
PDBbind
12-mer
4znx
RCSB PDB
PDBbind
12-mer
5b56
RCSB PDB
PDBbind
12-mer
5d2a
RCSB PDB
PDBbind
12-mer
5eeq
RCSB PDB
PDBbind
12-mer
5esq
RCSB PDB
PDBbind
12-mer
5etu
RCSB PDB
PDBbind
12-mer
5euk
RCSB PDB
PDBbind
12-mer
5f88
RCSB PDB
PDBbind
12-mer
5ff6
RCSB PDB
PDBbind
12-mer
5ggp
RCSB PDB
PDBbind
12-mer
5gr9
RCSB PDB
PDBbind
12-mer
5huw
RCSB PDB
PDBbind
12-mer
5huy
RCSB PDB
PDBbind
12-mer
5hyq
RCSB PDB
PDBbind
12-mer
5i2i
RCSB PDB
PDBbind
12-mer
5icy
RCSB PDB
PDBbind
12-mer
5icz
RCSB PDB
PDBbind
12-mer
5id1
RCSB PDB
PDBbind
12-mer
5ih2
RCSB PDB
PDBbind
12-mer
5iop
RCSB PDB
PDBbind
12-mer
5ir1
RCSB PDB
PDBbind
12-mer
5itf
RCSB PDB
PDBbind
12-mer
5iv2
RCSB PDB
PDBbind
12-mer
5ivn
RCSB PDB
PDBbind
12-mer
5ivz
RCSB PDB
PDBbind
12-mer
5ixq
RCSB PDB
PDBbind
12-mer
5iyv
RCSB PDB
PDBbind
12-mer
5lgr
RCSB PDB
PDBbind
12-mer
5moc
RCSB PDB
PDBbind
12-mer
5n7x
RCSB PDB
PDBbind
12-mer
5n8j
RCSB PDB
PDBbind
12-mer
5t1k
RCSB PDB
PDBbind
12-mer
5t1l
RCSB PDB
PDBbind
12-mer
5t1m
RCSB PDB
PDBbind
12-mer
5tbn
RCSB PDB
PDBbind
12-mer
5th2
RCSB PDB
PDBbind
12-mer
5v1d
RCSB PDB
PDBbind
12-mer
5w4s
RCSB PDB
PDBbind
12-mer
5w5s
RCSB PDB
PDBbind
12-mer
5w5u
RCSB PDB
PDBbind
12-mer
5w6i
RCSB PDB
PDBbind
12-mer
5w6r
RCSB PDB
PDBbind
12-mer
5w6t
RCSB PDB
PDBbind
12-mer
5w6u
RCSB PDB
PDBbind
12-mer
5wle
RCSB PDB
PDBbind
12-mer
5wxf
RCSB PDB
PDBbind
12-mer
5wxo
RCSB PDB
PDBbind
12-mer
5xup
RCSB PDB
PDBbind
12-mer
5xwr
RCSB PDB
PDBbind
12-mer
5xxk
RCSB PDB
PDBbind
12-mer
5y1u
RCSB PDB
PDBbind
12-mer
5y59
RCSB PDB
PDBbind
12-mer
6bgg
RCSB PDB
PDBbind
12-mer
6e83
RCSB PDB
PDBbind
12-mer
6f7t
RCSB PDB
PDBbind
12-mer
6f8g
RCSB PDB
PDBbind
12-mer
6rr0
RCSB PDB
PDBbind
12-mer
6qtr
RCSB PDB
PDBbind
12-mer
6qto
RCSB PDB
PDBbind
12-mer
6pit
RCSB PDB
PDBbind
12-mer
6peu
RCSB PDB
PDBbind
12-mer
6o3x
RCSB PDB
PDBbind
12-mer
6nk0
RCSB PDB
PDBbind
12-mer
6mm5
RCSB PDB
PDBbind
12-mer
6k5t
RCSB PDB
PDBbind
12-mer
6k5r
RCSB PDB
PDBbind
12-mer
6iam
RCSB PDB
PDBbind
12-mer
6hy2
RCSB PDB
PDBbind
12-mer
6byk
RCSB PDB
PDBbind
12-mer
6bw4
RCSB PDB
PDBbind
12-mer
6bw3
RCSB PDB
PDBbind
12-mer
6a8g
RCSB PDB
PDBbind
12-mer
5zop
RCSB PDB
PDBbind
12-mer
Entry Information
PDB ID
2qic
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Inhibitor of growth protein 1
Ligand Name
12-mer
EC.Number
E.C.-.-.-.-
Resolution
2.1(Å)
Affinity (Kd/Ki/IC50)
Kd=3.3uM
Release Year
2008
Protein/NA Sequence
Check fasta file
Primary Reference
(2008) J.Mol.Biol. Vol. 380: pp. 303-312
Ligand Properties
Formula
C
4
0
H
8
0
N
1
6
O
1
2
Molecular Weight
977.163
Exact Mass
976.614
No. of atoms
148
No. of bonds
147
Polar Surface Area
484.21
LOGP Value
-4.60 (
Computed with XLOGP3
)
-5.48 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 12
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 43
No. of Nitrogen and Oxygen Atoms: 28
No. of Rings: 0
Canonical SMILES
NC(=O)CC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC[NH+]=C(N)N)C)[C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C)CCC[NH+]=C(N)N)CCCC[N+](C)(C)C
InChI String
InChI=1S/C40H76N16O12/c1-20(41)31(60)50-25(13-10-17-47-39(43)44)34(63)55-30(23(4)58)37(66)52-24(12-8-9-19-56(5,6)7)33(62)51-26(15-16-28(42)59)35(64)54-29(22(3)57)36(65)49-21(2)32(61)53-27(38(67)68)14-11-18-48-40(45)46/h20-27,29-30,57-58H,8-19,41H2,1-7H3,(H17-,42,43,44,45,46,47,48,49,50,51,52,53,54,55,59,60,61,62,63,64,65,66,67,68)/p+4/t20-,21-,22+,23+,24-,25-,26-,27-,29-,30-/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):
Q9UK53
Entrez Gene ID
NCBI Entrez Gene ID:
3621
ASD
Information of known allosteric effects of PDB entries
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