Browse entries in the PDBbind-CN Database
HEADER 4K75_COMPLEX COMPND 4K75_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 43 GLY PRO ILE ARG LYS VAL LEU LEU LEU LYS GLU ASP HIS SEQRES 2 A 43 GLU GLY LEU GLY ILE SER ILE THR GLY GLY LYS GLU HIS SEQRES 3 A 43 GLY VAL PRO ILE LEU ILE SER GLU ILE HIS PRO GLY GLN SEQRES 4 A 43 PRO ALA ASP ARG SEQRES 1 A 43 GLY GLY LEU HIS VAL GLY ASP ALA ILE LEU ALA VAL ASN SEQRES 2 A 43 GLY VAL ASN LEU ARG ASP THR LYS HIS LYS GLU ALA VAL SEQRES 3 A 43 THR ILE LEU SER GLN GLN ARG GLY GLU ILE GLU PHE GLU SEQRES 4 A 43 VAL VAL TYR VAL HET ARG A 156 137 ATOM 1 N GLY A 284 10.502 40.364 32.197 1.00 12.65 N ATOM 2 CA GLY A 284 9.446 39.678 31.472 1.00 11.54 C ATOM 3 C GLY A 284 8.363 39.170 32.396 1.00 10.88 C ATOM 4 O GLY A 284 8.503 39.256 33.616 1.00 10.06 O ATOM 5 HN3 GLY A 284 10.936 39.708 32.878 1.00 0.00 H ATOM 6 HN2 GLY A 284 10.100 41.177 32.705 1.00 0.00 H ATOM 7 HN1 GLY A 284 11.223 40.696 31.525 1.00 0.00 H ATOM 8 N PRO A 285 7.275 38.634 31.834 1.00 9.84 N ATOM 9 CA PRO A 285 6.161 38.183 32.678 1.00 9.04 C ATOM 10 C PRO A 285 6.471 36.889 33.417 1.00 8.77 C ATOM 11 O PRO A 285 7.003 35.938 32.843 1.00 10.70 O ATOM 12 CB PRO A 285 5.004 37.995 31.688 1.00 11.04 C ATOM 13 CG PRO A 285 5.674 37.779 30.365 1.00 12.26 C ATOM 14 CD PRO A 285 6.986 38.506 30.393 1.00 9.95 C ATOM 15 N ILE A 286 6.155 36.880 34.708 1.00 8.15 N ATOM 16 CA ILE A 286 6.268 35.684 35.517 1.00 8.64 C ATOM 17 C ILE A 286 4.954 34.939 35.403 1.00 8.72 C ATOM 18 O ILE A 286 3.898 35.442 35.823 1.00 10.92 O ATOM 19 CB ILE A 286 6.515 36.032 36.981 1.00 10.13 C ATOM 20 CG1 ILE A 286 7.824 36.813 37.121 1.00 9.73 C ATOM 21 CG2 ILE A 286 6.545 34.754 37.803 1.00 11.80 C ATOM 22 CD1 ILE A 286 8.059 37.326 38.525 1.00 12.53 C ATOM 23 H ILE A 286 5.816 37.758 35.151 1.00 0.00 H ATOM 24 N ARG A 287 4.998 33.756 34.802 1.00 8.70 N ATOM 25 CA ARG A 287 3.786 32.964 34.627 1.00 9.40 C ATOM 26 C ARG A 287 3.689 31.910 35.709 1.00 10.12 C ATOM 27 O ARG A 287 4.707 31.331 36.126 1.00 10.91 O ATOM 28 CB ARG A 287 3.755 32.280 33.253 1.00 9.08 C ATOM 29 CG ARG A 287 3.827 33.242 32.076 1.00 11.34 C ATOM 30 CD ARG A 287 5.112 33.083 31.303 1.00 12.79 C ATOM 31 NE ARG A 287 5.266 31.703 30.827 1.00 10.03 N ATOM 32 CZ ARG A 287 6.437 31.146 30.537 1.00 8.07 C ATOM 33 NH1 ARG A 287 7.567 31.845 30.628 1.00 8.29 N ATOM 34 NH2 ARG A 287 6.477 29.869 30.162 1.00 8.89 N ATOM 35 HE ARG A 287 4.408 31.127 30.710 1.00 0.00 H ATOM 36 HH12 ARG A 287 8.476 31.396 30.398 1.00 0.00 H ATOM 37 HH11 ARG A 287 7.540 32.840 30.929 1.00 0.00 H ATOM 38 HH22 ARG A 287 7.388 29.423 29.933 1.00 0.00 H ATOM 39 HH21 ARG A 287 5.597 29.318 30.098 1.00 0.00 H ATOM 40 H ARG A 287 5.907 33.390 34.452 1.00 0.00 H ATOM 41 N LYS A 288 2.475 31.669 36.189 1.00 8.39 N ATOM 42 CA LYS A 288 2.216 30.584 37.118 1.00 9.42 C ATOM 43 C LYS A 288 1.653 29.463 36.272 1.00 10.74 C ATOM 44 O LYS A 288 0.635 29.653 35.592 1.00 14.36 O ATOM 45 CB LYS A 288 1.196 31.008 38.167 1.00 12.03 C ATOM 46 CG LYS A 288 0.927 29.937 39.208 1.00 14.32 C ATOM 47 CD LYS A 288 -0.082 30.410 40.254 1.00 19.27 C ATOM 48 CE LYS A 288 0.434 31.604 41.021 1.00 25.84 C ATOM 49 NZ LYS A 288 -0.538 31.992 42.089 1.00 27.49 N ATOM 50 HZ1 LYS A 288 -1.451 32.235 41.654 1.00 0.00 H ATOM 51 HZ2 LYS A 288 -0.667 31.195 42.745 1.00 0.00 H ATOM 52 HZ3 LYS A 288 -0.170 32.814 42.609 1.00 0.00 H ATOM 53 H LYS A 288 1.685 32.276 35.890 1.00 0.00 H ATOM 54 N VAL A 289 2.329 28.318 36.265 1.00 8.92 N ATOM 55 CA VAL A 289 1.978 27.234 35.345 1.00 7.92 C ATOM 56 C VAL A 289 1.665 25.956 36.096 1.00 9.18 C ATOM 57 O VAL A 289 2.447 25.503 36.930 1.00 11.00 O ATOM 58 CB VAL A 289 3.113 26.964 34.335 1.00 8.73 C ATOM 59 CG1 VAL A 289 2.745 25.810 33.396 1.00 10.60 C ATOM 60 CG2 VAL A 289 3.412 28.217 33.524 1.00 10.78 C ATOM 61 H VAL A 289 3.122 28.190 36.925 1.00 0.00 H ATOM 62 N LEU A 290 0.505 25.386 35.809 1.00 10.09 N ATOM 63 CA LEU A 290 0.023 24.190 36.480 1.00 8.78 C ATOM 64 C LEU A 290 0.405 22.942 35.691 1.00 10.65 C ATOM 65 O LEU A 290 0.343 22.926 34.451 1.00 11.29 O ATOM 66 CB LEU A 290 -1.501 24.267 36.605 1.00 14.18 C ATOM 67 CG LEU A 290 -2.223 23.088 37.241 1.00 15.99 C ATOM 68 CD1 LEU A 290 -1.801 22.941 38.698 1.00 16.52 C ATOM 69 CD2 LEU A 290 -3.729 23.279 37.133 1.00 17.43 C ATOM 70 H LEU A 290 -0.088 25.813 35.070 1.00 0.00 H ATOM 71 N LEU A 291 0.793 21.902 36.421 1.00 12.80 N ATOM 72 CA LEU A 291 1.124 20.607 35.846 1.00 13.19 C ATOM 73 C LEU A 291 0.527 19.565 36.790 1.00 14.92 C ATOM 74 O LEU A 291 0.634 19.701 38.010 1.00 15.88 O ATOM 75 CB LEU A 291 2.651 20.482 35.793 1.00 16.66 C ATOM 76 CG LEU A 291 3.352 19.216 35.319 1.00 20.03 C ATOM 77 CD1 LEU A 291 4.720 19.577 34.794 1.00 15.09 C ATOM 78 CD2 LEU A 291 3.444 18.214 36.457 1.00 17.35 C ATOM 79 H LEU A 291 0.863 22.019 37.452 1.00 0.00 H ATOM 80 N LEU A 292 -0.116 18.541 36.246 1.00 12.93 N ATOM 81 CA LEU A 292 -0.652 17.471 37.087 1.00 18.00 C ATOM 82 C LEU A 292 0.103 16.198 36.768 1.00 19.80 C ATOM 83 O LEU A 292 0.301 15.852 35.595 1.00 21.87 O ATOM 84 CB LEU A 292 -2.157 17.288 36.864 1.00 20.60 C ATOM 85 CG LEU A 292 -3.002 18.562 37.015 1.00 26.32 C ATOM 86 CD1 LEU A 292 -4.472 18.267 36.744 1.00 34.78 C ATOM 87 CD2 LEU A 292 -2.833 19.166 38.386 1.00 30.70 C ATOM 88 H LEU A 292 -0.240 18.498 35.214 1.00 0.00 H ATOM 89 N LYS A 293 0.538 15.515 37.823 1.00 24.45 N ATOM 90 CA LYS A 293 1.441 14.382 37.704 1.00 29.75 C ATOM 91 C LYS A 293 0.957 13.223 38.572 1.00 28.82 C ATOM 92 O LYS A 293 0.591 13.423 39.736 1.00 28.93 O ATOM 93 CB LYS A 293 2.840 14.810 38.164 1.00 31.53 C ATOM 94 CG LYS A 293 3.947 13.844 37.806 1.00 39.50 C ATOM 95 CD LYS A 293 5.304 14.385 38.183 1.00 33.84 C ATOM 96 CE LYS A 293 5.576 14.231 39.659 1.00 28.68 C ATOM 97 NZ LYS A 293 5.539 12.805 40.106 1.00 33.98 N ATOM 98 HZ1 LYS A 293 4.598 12.406 39.911 1.00 0.00 H ATOM 99 HZ2 LYS A 293 6.261 12.262 39.590 1.00 0.00 H ATOM 100 HZ3 LYS A 293 5.732 12.758 41.127 1.00 0.00 H ATOM 101 H LYS A 293 0.220 15.803 38.770 1.00 0.00 H ATOM 102 N GLU A 294 0.951 12.019 38.006 1.00 26.89 N ATOM 103 CA GLU A 294 0.780 10.811 38.810 1.00 28.44 C ATOM 104 C GLU A 294 2.126 10.462 39.433 1.00 27.78 C ATOM 105 O GLU A 294 3.168 10.874 38.928 1.00 25.70 O ATOM 106 CB GLU A 294 0.276 9.651 37.948 1.00 32.25 C ATOM 107 CG GLU A 294 -1.113 9.870 37.371 1.00 44.87 C ATOM 108 CD GLU A 294 -2.176 10.019 38.445 1.00 54.05 C ATOM 109 OE1 GLU A 294 -2.057 9.357 39.497 1.00 55.76 O ATOM 110 OE2 GLU A 294 -3.130 10.800 38.240 1.00 58.20 O ATOM 111 H GLU A 294 1.070 11.936 36.976 1.00 0.00 H ATOM 112 N ASP A 295 2.106 9.704 40.528 1.00 27.29 N ATOM 113 CA ASP A 295 3.336 9.371 41.245 1.00 31.46 C ATOM 114 C ASP A 295 4.326 8.550 40.415 1.00 26.49 C ATOM 115 O ASP A 295 5.533 8.643 40.616 1.00 37.45 O ATOM 116 CB ASP A 295 3.019 8.652 42.561 1.00 38.01 C ATOM 117 CG ASP A 295 2.486 9.590 43.625 1.00 47.14 C ATOM 118 OD1 ASP A 295 2.877 10.774 43.617 1.00 45.78 O ATOM 119 OD2 ASP A 295 1.681 9.137 44.466 1.00 49.44 O ATOM 120 H ASP A 295 1.197 9.342 40.880 1.00 0.00 H ATOM 121 N HIS A 296 3.818 7.760 39.477 1.00 28.15 N ATOM 122 CA HIS A 296 4.681 6.930 38.644 1.00 36.73 C ATOM 123 C HIS A 296 5.279 7.698 37.467 1.00 37.15 C ATOM 124 O HIS A 296 6.066 7.147 36.696 1.00 38.02 O ATOM 125 CB HIS A 296 3.918 5.708 38.130 1.00 39.06 C ATOM 126 CG HIS A 296 2.734 6.051 37.282 1.00 37.42 C ATOM 127 ND1 HIS A 296 1.487 6.303 37.813 1.00 41.09 N ATOM 128 CD2 HIS A 296 2.609 6.197 35.942 1.00 41.31 C ATOM 129 CE1 HIS A 296 0.644 6.583 36.836 1.00 41.43 C ATOM 130 NE2 HIS A 296 1.299 6.528 35.691 1.00 43.69 N ATOM 131 H HIS A 296 2.788 7.732 39.334 1.00 0.00 H ATOM 132 N GLU A 297 4.905 8.968 37.332 1.00 28.22 N ATOM 133 CA GLU A 297 5.405 9.801 36.241 1.00 27.91 C ATOM 134 C GLU A 297 6.471 10.773 36.712 1.00 21.81 C ATOM 135 O GLU A 297 6.507 11.155 37.878 1.00 22.28 O ATOM 136 CB GLU A 297 4.281 10.642 35.645 1.00 28.96 C ATOM 137 CG GLU A 297 3.055 9.897 35.226 1.00 34.33 C ATOM 138 CD GLU A 297 2.080 10.828 34.551 1.00 31.02 C ATOM 139 OE1 GLU A 297 1.348 11.543 35.264 1.00 30.70 O ATOM 140 OE2 GLU A 297 2.073 10.863 33.307 1.00 28.28 O ATOM 141 H GLU A 297 4.241 9.377 38.020 1.00 0.00 H ATOM 142 N GLY A 298 7.329 11.188 35.791 1.00 25.21 N ATOM 143 CA GLY A 298 8.222 12.297 36.062 1.00 24.12 C ATOM 144 C GLY A 298 7.544 13.586 35.636 1.00 17.50 C ATOM 145 O GLY A 298 6.428 13.565 35.109 1.00 19.07 O ATOM 146 H GLY A 298 7.362 10.714 34.866 1.00 0.00 H ATOM 147 N LEU A 299 8.208 14.712 35.871 1.00 14.75 N ATOM 148 CA LEU A 299 7.705 15.995 35.389 1.00 13.62 C ATOM 149 C LEU A 299 7.724 16.074 33.877 1.00 13.63 C ATOM 150 O LEU A 299 6.855 16.707 33.282 1.00 15.65 O ATOM 151 CB LEU A 299 8.556 17.145 35.929 1.00 14.61 C ATOM 152 CG LEU A 299 8.511 17.304 37.441 1.00 14.83 C ATOM 153 CD1 LEU A 299 9.511 18.363 37.880 1.00 15.91 C ATOM 154 CD2 LEU A 299 7.097 17.658 37.878 1.00 16.21 C ATOM 155 H LEU A 299 9.099 14.679 36.406 1.00 0.00 H ATOM 156 N GLY A 300 8.727 15.456 33.259 1.00 13.48 N ATOM 157 CA GLY A 300 8.873 15.545 31.815 1.00 15.49 C ATOM 158 C GLY A 300 9.611 16.790 31.372 1.00 12.82 C ATOM 159 O GLY A 300 9.338 17.330 30.294 1.00 13.00 O ATOM 160 H GLY A 300 9.413 14.904 33.813 1.00 0.00 H ATOM 161 N ILE A 301 10.535 17.264 32.201 1.00 14.08 N ATOM 162 CA ILE A 301 11.402 18.373 31.825 1.00 13.51 C ATOM 163 C ILE A 301 12.827 18.028 32.159 1.00 14.67 C ATOM 164 O ILE A 301 13.083 17.208 33.050 1.00 16.25 O ATOM 165 CB ILE A 301 11.038 19.705 32.545 1.00 13.93 C ATOM 166 CG1 ILE A 301 11.337 19.640 34.051 1.00 14.60 C ATOM 167 CG2 ILE A 301 9.594 20.102 32.252 1.00 15.74 C ATOM 168 CD1 ILE A 301 11.124 20.982 34.770 1.00 15.63 C ATOM 169 H ILE A 301 10.642 16.833 33.141 1.00 0.00 H ATOM 170 N SER A 302 13.762 18.634 31.438 1.00 12.10 N ATOM 171 CA SER A 302 15.145 18.631 31.879 1.00 14.08 C ATOM 172 C SER A 302 15.512 20.039 32.302 1.00 12.51 C ATOM 173 O SER A 302 15.023 21.018 31.723 1.00 13.85 O ATOM 174 CB SER A 302 16.084 18.171 30.767 1.00 14.43 C ATOM 175 OG SER A 302 15.849 16.815 30.427 1.00 18.74 O ATOM 176 HG SER A 302 14.915 16.711 30.116 1.00 0.00 H ATOM 177 H SER A 302 13.502 19.114 30.552 1.00 0.00 H ATOM 178 N ILE A 303 16.374 20.140 33.305 1.00 13.03 N ATOM 179 CA ILE A 303 16.849 21.432 33.779 1.00 12.70 C ATOM 180 C ILE A 303 18.361 21.537 33.719 1.00 12.05 C ATOM 181 O ILE A 303 19.085 20.528 33.782 1.00 15.22 O ATOM 182 CB ILE A 303 16.387 21.766 35.216 1.00 11.27 C ATOM 183 CG1 ILE A 303 16.895 20.715 36.212 1.00 13.57 C ATOM 184 CG2 ILE A 303 14.856 21.927 35.289 1.00 13.79 C ATOM 185 CD1 ILE A 303 16.959 21.226 37.667 1.00 14.59 C ATOM 186 H ILE A 303 16.720 19.274 33.765 1.00 0.00 H ATOM 187 N THR A 304 18.832 22.768 33.585 1.00 13.72 N ATOM 188 CA THR A 304 20.252 23.061 33.578 1.00 13.60 C ATOM 189 C THR A 304 20.460 24.337 34.385 1.00 15.80 C ATOM 190 O THR A 304 19.502 24.894 34.915 1.00 16.47 O ATOM 191 CB THR A 304 20.779 23.197 32.135 1.00 13.46 C ATOM 192 OG1 THR A 304 22.210 23.196 32.151 1.00 17.92 O ATOM 193 CG2 THR A 304 20.271 24.470 31.479 1.00 14.95 C ATOM 194 HG1 THR A 304 22.534 22.347 32.544 1.00 0.00 H ATOM 195 H THR A 304 18.158 23.553 33.481 1.00 0.00 H ATOM 196 N GLY A 305 21.700 24.788 34.515 1.00 16.40 N ATOM 197 CA GLY A 305 21.971 26.010 35.248 1.00 18.04 C ATOM 198 C GLY A 305 22.008 25.829 36.754 1.00 16.74 C ATOM 199 O GLY A 305 22.191 24.723 37.261 1.00 17.73 O ATOM 200 H GLY A 305 22.487 24.260 34.087 1.00 0.00 H ATOM 201 N GLY A 306 21.850 26.930 37.473 1.00 14.37 N ATOM 202 CA GLY A 306 21.960 26.902 38.918 1.00 16.20 C ATOM 203 C GLY A 306 23.030 27.827 39.462 1.00 18.53 C ATOM 204 O GLY A 306 23.874 28.337 38.718 1.00 18.78 O ATOM 205 H GLY A 306 21.644 27.829 36.993 1.00 0.00 H ATOM 206 N LYS A 307 22.990 28.036 40.773 1.00 17.10 N ATOM 207 CA LYS A 307 23.830 29.020 41.440 1.00 19.63 C ATOM 208 C LYS A 307 25.322 28.857 41.145 1.00 20.75 C ATOM 209 O LYS A 307 26.021 29.846 40.932 1.00 22.78 O ATOM 210 CB LYS A 307 23.576 28.995 42.952 1.00 20.05 C ATOM 211 CG LYS A 307 24.442 29.971 43.735 1.00 25.03 C ATOM 212 CD LYS A 307 24.161 29.877 45.228 1.00 32.60 C ATOM 213 CE LYS A 307 24.884 30.973 45.997 1.00 43.88 C ATOM 214 NZ LYS A 307 24.487 31.003 47.434 1.00 50.58 N ATOM 215 HZ1 LYS A 307 23.464 31.176 47.506 1.00 0.00 H ATOM 216 HZ2 LYS A 307 24.718 30.090 47.875 1.00 0.00 H ATOM 217 HZ3 LYS A 307 25.003 31.764 47.919 1.00 0.00 H ATOM 218 H LYS A 307 22.331 27.473 41.347 1.00 0.00 H ATOM 219 N GLU A 308 25.811 27.622 41.127 1.00 21.64 N ATOM 220 CA GLU A 308 27.233 27.393 40.862 1.00 23.37 C ATOM 221 C GLU A 308 27.651 27.855 39.463 1.00 28.33 C ATOM 222 O GLU A 308 28.843 28.021 39.188 1.00 30.26 O ATOM 223 CB GLU A 308 27.619 25.925 41.090 1.00 26.64 C ATOM 224 CG GLU A 308 26.991 24.929 40.131 1.00 27.65 C ATOM 225 CD GLU A 308 25.694 24.336 40.658 1.00 28.42 C ATOM 226 OE1 GLU A 308 24.753 25.102 40.945 1.00 24.57 O ATOM 227 OE2 GLU A 308 25.625 23.100 40.794 1.00 31.61 O ATOM 228 H GLU A 308 25.181 26.813 41.302 1.00 0.00 H ATOM 229 N HIS A 309 26.672 28.069 38.586 1.00 25.18 N ATOM 230 CA HIS A 309 26.934 28.546 37.229 1.00 22.55 C ATOM 231 C HIS A 309 26.566 30.012 37.033 1.00 21.77 C ATOM 232 O HIS A 309 26.684 30.544 35.931 1.00 27.64 O ATOM 233 CB HIS A 309 26.176 27.700 36.207 1.00 24.55 C ATOM 234 CG HIS A 309 26.539 26.251 36.236 1.00 27.22 C ATOM 235 ND1 HIS A 309 27.815 25.799 35.978 1.00 32.23 N ATOM 236 CD2 HIS A 309 25.795 25.151 36.495 1.00 28.91 C ATOM 237 CE1 HIS A 309 27.841 24.483 36.078 1.00 32.55 C ATOM 238 NE2 HIS A 309 26.628 24.065 36.389 1.00 32.44 N ATOM 239 H HIS A 309 25.689 27.891 38.876 1.00 0.00 H ATOM 240 N GLY A 310 26.094 30.653 38.096 1.00 22.22 N ATOM 241 CA GLY A 310 25.767 32.066 38.054 1.00 24.67 C ATOM 242 C GLY A 310 24.508 32.381 37.270 1.00 24.81 C ATOM 243 O GLY A 310 24.291 33.524 36.870 1.00 26.34 O ATOM 244 H GLY A 310 25.955 30.128 38.983 1.00 0.00 H ATOM 245 N VAL A 311 23.671 31.371 37.057 1.00 21.72 N ATOM 246 CA VAL A 311 22.435 31.561 36.303 1.00 21.59 C ATOM 247 C VAL A 311 21.276 30.874 37.025 1.00 17.65 C ATOM 248 O VAL A 311 21.496 30.045 37.904 1.00 18.22 O ATOM 249 CB VAL A 311 22.548 30.993 34.876 1.00 21.05 C ATOM 250 CG1 VAL A 311 23.573 31.780 34.060 1.00 26.81 C ATOM 251 CG2 VAL A 311 22.902 29.517 34.916 1.00 23.13 C ATOM 252 H VAL A 311 23.900 30.429 37.434 1.00 0.00 H ATOM 253 N PRO A 312 20.034 31.228 36.666 1.00 17.59 N ATOM 254 CA PRO A 312 18.914 30.512 37.283 1.00 15.30 C ATOM 255 C PRO A 312 18.849 29.050 36.861 1.00 12.70 C ATOM 256 O PRO A 312 19.614 28.581 36.003 1.00 14.01 O ATOM 257 CB PRO A 312 17.671 31.259 36.772 1.00 19.11 C ATOM 258 CG PRO A 312 18.134 32.092 35.637 1.00 25.72 C ATOM 259 CD PRO A 312 19.597 32.338 35.801 1.00 20.93 C ATOM 260 N ILE A 313 17.939 28.326 37.501 1.00 11.42 N ATOM 261 CA ILE A 313 17.548 27.010 37.037 1.00 10.71 C ATOM 262 C ILE A 313 16.756 27.217 35.751 1.00 11.69 C ATOM 263 O ILE A 313 15.758 27.936 35.750 1.00 11.67 O ATOM 264 CB ILE A 313 16.681 26.300 38.089 1.00 10.65 C ATOM 265 CG1 ILE A 313 17.470 26.124 39.404 1.00 11.11 C ATOM 266 CG2 ILE A 313 16.194 24.966 37.550 1.00 14.58 C ATOM 267 CD1 ILE A 313 18.729 25.266 39.250 1.00 13.29 C ATOM 268 H ILE A 313 17.495 28.713 38.358 1.00 0.00 H ATOM 269 N LEU A 314 17.227 26.625 34.653 1.00 9.73 N ATOM 270 CA LEU A 314 16.629 26.860 33.338 1.00 8.50 C ATOM 271 C LEU A 314 16.123 25.567 32.743 1.00 10.23 C ATOM 272 O LEU A 314 16.770 24.529 32.861 1.00 12.02 O ATOM 273 CB LEU A 314 17.683 27.443 32.395 1.00 12.35 C ATOM 274 CG LEU A 314 18.219 28.816 32.790 1.00 13.35 C ATOM 275 CD1 LEU A 314 19.540 29.090 32.090 1.00 19.51 C ATOM 276 CD2 LEU A 314 17.196 29.890 32.450 1.00 18.48 C ATOM 277 H LEU A 314 18.039 25.980 34.733 1.00 0.00 H ATOM 278 N ILE A 315 14.975 25.627 32.080 1.00 9.19 N ATOM 279 CA ILE A 315 14.454 24.462 31.370 1.00 10.85 C ATOM 280 C ILE A 315 15.218 24.244 30.070 1.00 11.12 C ATOM 281 O ILE A 315 15.275 25.136 29.212 1.00 10.79 O ATOM 282 CB ILE A 315 12.940 24.574 31.111 1.00 10.66 C ATOM 283 CG1 ILE A 315 12.204 24.704 32.444 1.00 10.62 C ATOM 284 CG2 ILE A 315 12.443 23.374 30.294 1.00 13.40 C ATOM 285 CD1 ILE A 315 10.696 24.769 32.308 1.00 12.50 C ATOM 286 H ILE A 315 14.438 26.518 32.066 1.00 0.00 H ATOM 287 N SER A 316 15.825 23.070 29.931 1.00 11.27 N ATOM 288 CA SER A 316 16.589 22.753 28.722 1.00 12.16 C ATOM 289 C SER A 316 15.841 21.870 27.732 1.00 12.44 C ATOM 290 O SER A 316 16.182 21.841 26.543 1.00 16.30 O ATOM 291 CB SER A 316 17.913 22.094 29.097 1.00 15.35 C ATOM 292 OG SER A 316 17.684 20.938 29.877 1.00 18.68 O ATOM 293 HG SER A 316 18.551 20.523 30.112 1.00 0.00 H ATOM 294 H SER A 316 15.757 22.365 30.693 1.00 0.00 H ATOM 295 N GLU A 317 14.818 21.160 28.195 1.00 12.21 N ATOM 296 CA GLU A 317 14.048 20.293 27.310 1.00 14.66 C ATOM 297 C GLU A 317 12.681 19.961 27.896 1.00 13.18 C ATOM 298 O GLU A 317 12.544 19.770 29.107 1.00 14.50 O ATOM 299 CB GLU A 317 14.818 18.999 27.017 1.00 17.40 C ATOM 300 CG GLU A 317 14.181 18.123 25.940 1.00 15.58 C ATOM 301 CD GLU A 317 15.045 16.935 25.548 1.00 28.24 C ATOM 302 OE1 GLU A 317 14.643 16.191 24.629 1.00 33.59 O ATOM 303 OE2 GLU A 317 16.122 16.744 26.155 1.00 31.47 O ATOM 304 H GLU A 317 14.563 21.223 29.201 1.00 0.00 H ATOM 305 N ILE A 318 11.676 19.916 27.028 1.00 12.82 N ATOM 306 CA ILE A 318 10.364 19.402 27.379 1.00 12.68 C ATOM 307 C ILE A 318 10.223 18.052 26.701 1.00 15.08 C ATOM 308 O ILE A 318 10.412 17.937 25.484 1.00 14.05 O ATOM 309 CB ILE A 318 9.238 20.334 26.898 1.00 14.63 C ATOM 310 CG1 ILE A 318 9.401 21.731 27.501 1.00 14.49 C ATOM 311 CG2 ILE A 318 7.878 19.751 27.242 1.00 16.60 C ATOM 312 CD1 ILE A 318 9.323 21.755 28.998 1.00 10.73 C ATOM 313 H ILE A 318 11.835 20.262 26.060 1.00 0.00 H ATOM 314 N HIS A 319 9.912 17.020 27.476 1.00 15.51 N ATOM 315 CA HIS A 319 9.843 15.683 26.886 1.00 16.04 C ATOM 316 C HIS A 319 8.473 15.318 26.333 1.00 16.24 C ATOM 317 O HIS A 319 7.463 15.432 27.011 1.00 18.01 O ATOM 318 CB HIS A 319 10.385 14.662 27.879 1.00 18.80 C ATOM 319 CG HIS A 319 11.787 14.965 28.300 1.00 20.92 C ATOM 320 ND1 HIS A 319 12.875 14.707 27.493 1.00 25.42 N ATOM 321 CD2 HIS A 319 12.274 15.573 29.404 1.00 21.26 C ATOM 322 CE1 HIS A 319 13.977 15.105 28.106 1.00 25.28 C ATOM 323 NE2 HIS A 319 13.637 15.640 29.264 1.00 22.66 N ATOM 324 H HIS A 319 9.720 17.160 28.489 1.00 0.00 H ATOM 325 N PRO A 320 8.436 14.902 25.056 1.00 19.49 N ATOM 326 CA PRO A 320 7.166 14.628 24.385 1.00 21.22 C ATOM 327 C PRO A 320 6.298 13.631 25.136 1.00 18.61 C ATOM 328 O PRO A 320 6.771 12.570 25.552 1.00 20.96 O ATOM 329 CB PRO A 320 7.606 14.018 23.046 1.00 22.76 C ATOM 330 CG PRO A 320 8.958 14.572 22.807 1.00 26.06 C ATOM 331 CD PRO A 320 9.594 14.710 24.170 1.00 20.16 C ATOM 332 N GLY A 321 5.031 13.986 25.313 1.00 19.77 N ATOM 333 CA GLY A 321 4.050 13.069 25.865 1.00 21.85 C ATOM 334 C GLY A 321 4.051 12.942 27.376 1.00 21.23 C ATOM 335 O GLY A 321 3.193 12.269 27.936 1.00 23.80 O ATOM 336 H GLY A 321 4.733 14.947 25.049 1.00 0.00 H ATOM 337 N GLN A 322 5.005 13.588 28.042 1.00 20.61 N ATOM 338 CA GLN A 322 5.063 13.559 29.502 1.00 17.05 C ATOM 339 C GLN A 322 4.285 14.749 30.093 1.00 15.37 C ATOM 340 O GLN A 322 3.755 15.564 29.342 1.00 16.17 O ATOM 341 CB GLN A 322 6.519 13.493 29.973 1.00 16.20 C ATOM 342 CG GLN A 322 7.202 12.192 29.553 1.00 22.63 C ATOM 343 CD GLN A 322 8.594 12.038 30.129 1.00 29.58 C ATOM 344 OE1 GLN A 322 9.580 12.046 29.396 1.00 41.79 O ATOM 345 NE2 GLN A 322 8.680 11.881 31.444 1.00 32.38 N ATOM 346 HE22 GLN A 322 7.818 11.881 32.025 1.00 0.00 H ATOM 347 HE21 GLN A 322 9.610 11.758 31.893 1.00 0.00 H ATOM 348 H GLN A 322 5.723 14.124 27.513 1.00 0.00 H ATOM 349 N PRO A 323 4.185 14.841 31.431 1.00 15.50 N ATOM 350 CA PRO A 323 3.231 15.818 31.975 1.00 14.91 C ATOM 351 C PRO A 323 3.447 17.281 31.564 1.00 12.51 C ATOM 352 O PRO A 323 2.454 17.976 31.279 1.00 14.04 O ATOM 353 CB PRO A 323 3.378 15.636 33.487 1.00 15.34 C ATOM 354 CG PRO A 323 3.699 14.180 33.624 1.00 18.71 C ATOM 355 CD PRO A 323 4.641 13.895 32.469 1.00 14.53 C ATOM 356 N ALA A 324 4.684 17.762 31.519 1.00 14.15 N ATOM 357 CA ALA A 324 4.880 19.170 31.134 1.00 13.64 C ATOM 358 C ALA A 324 4.388 19.442 29.710 1.00 14.07 C ATOM 359 O ALA A 324 3.754 20.475 29.438 1.00 12.31 O ATOM 360 CB ALA A 324 6.335 19.588 31.294 1.00 12.75 C ATOM 361 H ALA A 324 5.498 17.157 31.751 1.00 0.00 H ATOM 362 N ASP A 325 4.685 18.515 28.805 1.00 13.45 N ATOM 363 CA ASP A 325 4.221 18.629 27.423 1.00 13.01 C ATOM 364 C ASP A 325 2.698 18.553 27.338 1.00 15.64 C ATOM 365 O ASP A 325 2.067 19.377 26.675 1.00 14.71 O ATOM 366 CB ASP A 325 4.844 17.530 26.562 1.00 13.33 C ATOM 367 CG ASP A 325 4.482 17.658 25.092 1.00 16.26 C ATOM 368 OD1 ASP A 325 4.381 18.799 24.589 1.00 20.53 O ATOM 369 OD2 ASP A 325 4.298 16.617 24.442 1.00 24.20 O ATOM 370 H ASP A 325 5.258 17.693 29.085 1.00 0.00 H ATOM 371 N ARG A 326 2.108 17.577 28.023 1.00 14.02 N ATOM 372 CA ARG A 326 0.659 17.376 27.962 1.00 16.24 C ATOM 373 C ARG A 326 -0.107 18.559 28.558 1.00 13.73 C ATOM 374 O ARG A 326 -1.113 19.020 28.008 1.00 16.73 O ATOM 375 CB ARG A 326 0.262 16.082 28.686 1.00 19.76 C ATOM 376 CG ARG A 326 0.838 14.826 28.056 1.00 24.78 C ATOM 377 CD ARG A 326 0.070 13.594 28.502 1.00 26.00 C ATOM 378 NE ARG A 326 -0.095 13.533 29.953 1.00 25.98 N ATOM 379 CZ ARG A 326 0.704 12.853 30.770 1.00 27.14 C ATOM 380 NH1 ARG A 326 1.736 12.175 30.285 1.00 26.58 N ATOM 381 NH2 ARG A 326 0.464 12.845 32.070 1.00 26.45 N ATOM 382 HE ARG A 326 -0.889 14.056 30.374 1.00 0.00 H ATOM 383 HH12 ARG A 326 2.358 11.645 30.928 1.00 0.00 H ATOM 384 HH11 ARG A 326 1.923 12.174 29.262 1.00 0.00 H ATOM 385 HH22 ARG A 326 1.088 12.314 32.711 1.00 0.00 H ATOM 386 HH21 ARG A 326 -0.348 13.370 32.452 1.00 0.00 H ATOM 387 H ARG A 326 2.687 16.945 28.613 1.00 0.00 H TER 388 ARG A 326 ATOM 389 N GLY A 328 1.128 21.699 29.233 1.00 10.37 N ATOM 390 CA GLY A 328 1.472 22.956 28.593 1.00 11.30 C ATOM 391 C GLY A 328 1.896 24.077 29.518 1.00 10.50 C ATOM 392 O GLY A 328 1.745 23.994 30.742 1.00 11.14 O ATOM 393 HN3 GLY A 328 0.334 21.850 29.887 1.00 0.00 H ATOM 394 HN2 GLY A 328 1.951 21.344 29.761 1.00 0.00 H ATOM 395 HN1 GLY A 328 0.854 21.006 28.508 1.00 0.00 H ATOM 396 N GLY A 329 2.445 25.125 28.917 1.00 11.28 N ATOM 397 CA GLY A 329 2.754 26.340 29.654 1.00 10.12 C ATOM 398 C GLY A 329 4.211 26.556 29.962 1.00 11.72 C ATOM 399 O GLY A 329 4.587 27.691 30.268 1.00 13.15 O ATOM 400 H GLY A 329 2.658 25.077 27.900 1.00 0.00 H ATOM 401 N LEU A 330 5.020 25.501 29.888 1.00 11.01 N ATOM 402 CA LEU A 330 6.453 25.622 30.156 1.00 11.71 C ATOM 403 C LEU A 330 7.151 25.673 28.815 1.00 20.87 C ATOM 404 O LEU A 330 6.625 25.167 27.826 1.00 33.37 O ATOM 405 CB LEU A 330 6.965 24.457 31.001 1.00 12.89 C ATOM 406 CG LEU A 330 6.317 24.321 32.382 1.00 11.23 C ATOM 407 CD1 LEU A 330 6.803 23.053 33.105 1.00 16.78 C ATOM 408 CD2 LEU A 330 6.589 25.547 33.269 1.00 11.76 C ATOM 409 H LEU A 330 4.625 24.573 29.635 1.00 0.00 H ATOM 410 N HIS A 331 8.355 26.180 28.789 1.00 8.87 N ATOM 411 CA HIS A 331 9.068 26.023 27.561 1.00 9.57 C ATOM 412 C HIS A 331 10.527 26.088 27.850 1.00 6.83 C ATOM 413 O HIS A 331 10.982 26.339 28.964 1.00 10.66 O ATOM 414 CB HIS A 331 8.654 27.093 26.553 1.00 7.11 C ATOM 415 CG HIS A 331 7.203 27.457 26.623 1.00 9.04 C ATOM 416 ND1 HIS A 331 6.201 26.664 26.101 1.00 17.82 N ATOM 417 CD2 HIS A 331 6.585 28.527 27.170 1.00 7.31 C ATOM 418 CE1 HIS A 331 5.029 27.229 26.335 1.00 9.58 C ATOM 419 NE2 HIS A 331 5.236 28.367 26.971 1.00 15.44 N ATOM 420 H HIS A 331 8.768 26.667 29.610 1.00 0.00 H ATOM 421 N VAL A 332 11.269 25.859 26.800 1.00 12.24 N ATOM 422 CA VAL A 332 12.710 25.772 26.915 1.00 12.12 C ATOM 423 C VAL A 332 13.231 27.200 27.033 1.00 10.86 C ATOM 424 O VAL A 332 12.734 28.129 26.367 1.00 11.97 O ATOM 425 CB VAL A 332 13.343 25.023 25.726 1.00 14.12 C ATOM 426 CG1 VAL A 332 14.855 25.210 25.708 1.00 22.14 C ATOM 427 CG2 VAL A 332 12.962 23.538 25.751 1.00 14.23 C ATOM 428 H VAL A 332 10.820 25.738 25.870 1.00 0.00 H ATOM 429 N GLY A 333 14.211 27.390 27.902 1.00 9.83 N ATOM 430 CA GLY A 333 14.742 28.712 28.159 1.00 10.94 C ATOM 431 C GLY A 333 14.047 29.451 29.280 1.00 10.17 C ATOM 432 O GLY A 333 14.502 30.524 29.678 1.00 12.41 O ATOM 433 H GLY A 333 14.607 26.574 28.410 1.00 0.00 H ATOM 434 N ASP A 334 12.961 28.883 29.807 1.00 10.03 N ATOM 435 CA ASP A 334 12.343 29.436 31.007 1.00 9.18 C ATOM 436 C ASP A 334 13.250 29.274 32.214 1.00 9.40 C ATOM 437 O ASP A 334 13.834 28.203 32.429 1.00 10.94 O ATOM 438 CB ASP A 334 11.030 28.722 31.337 1.00 9.06 C ATOM 439 CG ASP A 334 9.857 29.209 30.515 1.00 10.02 C ATOM 440 OD1 ASP A 334 9.903 30.313 29.922 1.00 10.80 O ATOM 441 OD2 ASP A 334 8.866 28.453 30.472 1.00 11.63 O ATOM 442 H ASP A 334 12.552 28.039 29.358 1.00 0.00 H ATOM 443 N ALA A 335 13.360 30.335 33.005 1.00 8.88 N ATOM 444 CA ALA A 335 13.929 30.250 34.347 1.00 8.80 C ATOM 445 C ALA A 335 12.826 29.824 35.300 1.00 9.72 C ATOM 446 O ALA A 335 11.741 30.413 35.308 1.00 10.35 O ATOM 447 CB ALA A 335 14.491 31.594 34.773 1.00 11.10 C ATOM 448 H ALA A 335 13.030 31.258 32.657 1.00 0.00 H ATOM 449 N ILE A 336 13.095 28.800 36.102 1.00 9.01 N ATOM 450 CA ILE A 336 12.131 28.395 37.123 1.00 8.71 C ATOM 451 C ILE A 336 12.441 29.161 38.397 1.00 8.81 C ATOM 452 O ILE A 336 13.450 28.902 39.064 1.00 11.69 O ATOM 453 CB ILE A 336 12.148 26.878 37.400 1.00 9.60 C ATOM 454 CG1 ILE A 336 12.039 26.069 36.102 1.00 13.18 C ATOM 455 CG2 ILE A 336 11.011 26.521 38.381 1.00 9.50 C ATOM 456 CD1 ILE A 336 12.134 24.558 36.310 1.00 11.19 C ATOM 457 H ILE A 336 13.993 28.285 36.003 1.00 0.00 H ATOM 458 N LEU A 337 11.578 30.116 38.729 1.00 8.91 N ATOM 459 CA LEU A 337 11.781 30.969 39.898 1.00 8.51 C ATOM 460 C LEU A 337 11.316 30.281 41.171 1.00 11.29 C ATOM 461 O LEU A 337 11.881 30.505 42.242 1.00 10.07 O ATOM 462 CB LEU A 337 11.018 32.288 39.730 1.00 8.97 C ATOM 463 CG LEU A 337 11.341 33.096 38.470 1.00 9.82 C ATOM 464 CD1 LEU A 337 10.535 34.371 38.514 1.00 13.25 C ATOM 465 CD2 LEU A 337 12.832 33.386 38.440 1.00 14.27 C ATOM 466 H LEU A 337 10.734 30.260 38.139 1.00 0.00 H ATOM 467 N ALA A 338 10.295 29.443 41.062 1.00 9.16 N ATOM 468 CA ALA A 338 9.757 28.743 42.223 1.00 9.83 C ATOM 469 C ALA A 338 8.937 27.554 41.776 1.00 9.18 C ATOM 470 O ALA A 338 8.432 27.528 40.637 1.00 8.79 O ATOM 471 CB ALA A 338 8.897 29.688 43.068 1.00 9.24 C ATOM 472 H ALA A 338 9.868 29.281 40.128 1.00 0.00 H ATOM 473 N VAL A 339 8.791 26.580 42.671 1.00 10.03 N ATOM 474 CA VAL A 339 7.891 25.461 42.449 1.00 10.67 C ATOM 475 C VAL A 339 7.128 25.179 43.732 1.00 9.74 C ATOM 476 O VAL A 339 7.724 25.044 44.808 1.00 10.77 O ATOM 477 CB VAL A 339 8.625 24.215 41.924 1.00 10.12 C ATOM 478 CG1 VAL A 339 9.606 23.656 42.977 1.00 12.21 C ATOM 479 CG2 VAL A 339 7.622 23.143 41.497 1.00 12.82 C ATOM 480 H VAL A 339 9.337 26.621 43.555 1.00 0.00 H ATOM 481 N ASN A 340 5.804 25.146 43.649 1.00 12.09 N ATOM 482 CA ASN A 340 4.969 24.975 44.842 1.00 11.18 C ATOM 483 C ASN A 340 5.349 25.923 45.975 1.00 12.77 C ATOM 484 O ASN A 340 5.351 25.548 47.148 1.00 14.73 O ATOM 485 CB ASN A 340 4.961 23.511 45.298 1.00 12.44 C ATOM 486 CG ASN A 340 4.061 22.644 44.431 1.00 14.95 C ATOM 487 OD1 ASN A 340 3.200 23.163 43.708 1.00 14.57 O ATOM 488 ND2 ASN A 340 4.242 21.327 44.504 1.00 17.53 N ATOM 489 HD22 ASN A 340 4.979 20.937 45.126 1.00 0.00 H ATOM 490 HD21 ASN A 340 3.647 20.688 43.939 1.00 0.00 H ATOM 491 H ASN A 340 5.349 25.243 42.719 1.00 0.00 H ATOM 492 N GLY A 341 5.682 27.153 45.613 1.00 12.90 N ATOM 493 CA GLY A 341 5.987 28.182 46.594 1.00 12.56 C ATOM 494 C GLY A 341 7.418 28.153 47.094 1.00 14.67 C ATOM 495 O GLY A 341 7.830 29.038 47.846 1.00 18.45 O ATOM 496 H GLY A 341 5.726 27.389 44.601 1.00 0.00 H ATOM 497 N VAL A 342 8.180 27.142 46.687 1.00 11.87 N ATOM 498 CA VAL A 342 9.574 27.015 47.119 1.00 12.92 C ATOM 499 C VAL A 342 10.476 27.748 46.113 1.00 14.02 C ATOM 500 O VAL A 342 10.509 27.420 44.920 1.00 12.62 O ATOM 501 CB VAL A 342 10.018 25.543 47.231 1.00 12.24 C ATOM 502 CG1 VAL A 342 11.494 25.456 47.688 1.00 14.37 C ATOM 503 CG2 VAL A 342 9.089 24.746 48.167 1.00 12.63 C ATOM 504 H VAL A 342 7.778 26.426 46.049 1.00 0.00 H ATOM 505 N ASN A 343 11.192 28.749 46.604 1.00 12.22 N ATOM 506 CA ASN A 343 12.053 29.610 45.798 1.00 11.96 C ATOM 507 C ASN A 343 13.259 28.845 45.265 1.00 14.05 C ATOM 508 O ASN A 343 13.990 28.222 46.039 1.00 17.75 O ATOM 509 CB ASN A 343 12.501 30.771 46.705 1.00 15.79 C ATOM 510 CG ASN A 343 13.317 31.836 45.988 1.00 22.31 C ATOM 511 OD1 ASN A 343 13.355 31.905 44.763 1.00 17.43 O ATOM 512 ND2 ASN A 343 13.970 32.691 46.769 1.00 24.76 N ATOM 513 HD22 ASN A 343 13.912 32.599 47.803 1.00 0.00 H ATOM 514 HD21 ASN A 343 14.538 33.452 46.346 1.00 0.00 H ATOM 515 H ASN A 343 11.137 28.933 47.626 1.00 0.00 H ATOM 516 N LEU A 344 13.459 28.875 43.946 1.00 12.01 N ATOM 517 CA LEU A 344 14.621 28.241 43.313 1.00 12.52 C ATOM 518 C LEU A 344 15.639 29.266 42.797 1.00 15.69 C ATOM 519 O LEU A 344 16.632 28.902 42.184 1.00 16.71 O ATOM 520 CB LEU A 344 14.181 27.333 42.147 1.00 10.61 C ATOM 521 CG LEU A 344 13.263 26.154 42.486 1.00 12.05 C ATOM 522 CD1 LEU A 344 12.985 25.317 41.244 1.00 14.55 C ATOM 523 CD2 LEU A 344 13.865 25.270 43.581 1.00 14.28 C ATOM 524 H LEU A 344 12.766 29.365 43.345 1.00 0.00 H ATOM 525 N ARG A 345 15.387 30.549 43.026 1.00 17.25 N ATOM 526 CA ARG A 345 16.238 31.592 42.449 1.00 19.28 C ATOM 527 C ARG A 345 17.733 31.492 42.772 1.00 25.97 C ATOM 528 O ARG A 345 18.569 31.815 41.923 1.00 26.75 O ATOM 529 CB ARG A 345 15.734 32.979 42.841 1.00 18.37 C ATOM 530 CG ARG A 345 14.449 33.417 42.140 1.00 18.09 C ATOM 531 CD ARG A 345 13.885 34.611 42.895 1.00 20.44 C ATOM 532 NE ARG A 345 12.627 35.108 42.346 1.00 20.53 N ATOM 533 CZ ARG A 345 11.432 34.603 42.632 1.00 19.52 C ATOM 534 NH1 ARG A 345 11.317 33.558 43.452 1.00 21.74 N ATOM 535 NH2 ARG A 345 10.346 35.145 42.099 1.00 22.92 N ATOM 536 HE ARG A 345 12.669 35.911 41.687 1.00 0.00 H ATOM 537 HH12 ARG A 345 10.377 33.169 43.670 1.00 0.00 H ATOM 538 HH11 ARG A 345 12.167 33.132 43.873 1.00 0.00 H ATOM 539 HH22 ARG A 345 9.408 34.754 42.319 1.00 0.00 H ATOM 540 HH21 ARG A 345 10.432 35.961 41.460 1.00 0.00 H ATOM 541 H ARG A 345 14.577 30.816 43.621 1.00 0.00 H ATOM 542 N ASP A 346 18.068 31.065 43.988 1.00 19.62 N ATOM 543 CA ASP A 346 19.468 31.005 44.412 1.00 21.12 C ATOM 544 C ASP A 346 19.906 29.577 44.752 1.00 19.31 C ATOM 545 O ASP A 346 20.805 29.372 45.568 1.00 21.58 O ATOM 546 CB ASP A 346 19.700 31.927 45.618 1.00 22.64 C ATOM 547 CG ASP A 346 21.172 32.224 45.859 1.00 27.91 C ATOM 548 OD1 ASP A 346 21.909 32.455 44.876 1.00 31.81 O ATOM 549 OD2 ASP A 346 21.596 32.225 47.033 1.00 30.71 O ATOM 550 H ASP A 346 17.321 30.769 44.649 1.00 0.00 H ATOM 551 N THR A 347 19.264 28.593 44.129 1.00 15.89 N ATOM 552 CA THR A 347 19.594 27.193 44.372 1.00 14.83 C ATOM 553 C THR A 347 20.700 26.683 43.471 1.00 15.51 C ATOM 554 O THR A 347 20.779 27.041 42.298 1.00 17.82 O ATOM 555 CB THR A 347 18.366 26.266 44.199 1.00 15.32 C ATOM 556 OG1 THR A 347 17.851 26.374 42.859 1.00 17.78 O ATOM 557 CG2 THR A 347 17.278 26.639 45.179 1.00 18.19 C ATOM 558 HG1 THR A 347 17.580 27.310 42.685 1.00 0.00 H ATOM 559 H THR A 347 18.509 28.827 43.453 1.00 0.00 H ATOM 560 N LYS A 348 21.558 25.840 44.029 1.00 15.56 N ATOM 561 CA LYS A 348 22.500 25.075 43.233 1.00 15.89 C ATOM 562 C LYS A 348 21.725 24.019 42.450 1.00 15.34 C ATOM 563 O LYS A 348 20.598 23.653 42.817 1.00 16.01 O ATOM 564 CB LYS A 348 23.534 24.419 44.151 1.00 18.76 C ATOM 565 CG LYS A 348 24.271 25.439 45.006 1.00 22.01 C ATOM 566 CD LYS A 348 25.239 24.790 45.984 1.00 33.05 C ATOM 567 CE LYS A 348 26.517 24.353 45.294 1.00 42.08 C ATOM 568 NZ LYS A 348 27.548 23.937 46.288 1.00 48.16 N ATOM 569 HZ1 LYS A 348 27.765 24.737 46.916 1.00 0.00 H ATOM 570 HZ2 LYS A 348 27.184 23.142 46.851 1.00 0.00 H ATOM 571 HZ3 LYS A 348 28.411 23.643 45.788 1.00 0.00 H ATOM 572 H LYS A 348 21.556 25.724 45.063 1.00 0.00 H ATOM 573 N HIS A 349 22.326 23.530 41.373 1.00 16.70 N ATOM 574 CA HIS A 349 21.659 22.563 40.513 1.00 15.39 C ATOM 575 C HIS A 349 21.089 21.364 41.279 1.00 14.06 C ATOM 576 O HIS A 349 19.905 21.035 41.141 1.00 14.91 O ATOM 577 CB HIS A 349 22.605 22.094 39.406 1.00 14.34 C ATOM 578 CG HIS A 349 21.940 21.225 38.387 1.00 15.83 C ATOM 579 ND1 HIS A 349 21.377 21.730 37.235 1.00 16.71 N ATOM 580 CD2 HIS A 349 21.722 19.890 38.362 1.00 16.90 C ATOM 581 CE1 HIS A 349 20.852 20.740 36.536 1.00 17.58 C ATOM 582 NE2 HIS A 349 21.054 19.611 37.194 1.00 18.23 N ATOM 583 H HIS A 349 23.290 23.843 41.139 1.00 0.00 H ATOM 584 N LYS A 350 21.924 20.712 42.091 1.00 15.92 N ATOM 585 CA LYS A 350 21.482 19.495 42.773 1.00 17.13 C ATOM 586 C LYS A 350 20.364 19.758 43.770 1.00 13.26 C ATOM 587 O LYS A 350 19.496 18.911 43.976 1.00 17.07 O ATOM 588 CB LYS A 350 22.643 18.785 43.476 1.00 24.41 C ATOM 589 CG LYS A 350 22.302 17.342 43.832 1.00 40.09 C ATOM 590 CD LYS A 350 22.796 16.942 45.210 1.00 50.35 C ATOM 591 CE LYS A 350 24.309 16.980 45.299 1.00 55.01 C ATOM 592 NZ LYS A 350 24.790 16.344 46.561 1.00 54.28 N ATOM 593 HZ1 LYS A 350 24.396 16.854 47.377 1.00 0.00 H ATOM 594 HZ2 LYS A 350 24.480 15.352 46.588 1.00 0.00 H ATOM 595 HZ3 LYS A 350 25.829 16.385 46.594 1.00 0.00 H ATOM 596 H LYS A 350 22.889 21.069 42.239 1.00 0.00 H ATOM 597 N GLU A 351 20.398 20.933 44.403 1.00 14.04 N ATOM 598 CA GLU A 351 19.354 21.359 45.337 1.00 15.71 C ATOM 599 C GLU A 351 18.011 21.495 44.615 1.00 12.30 C ATOM 600 O GLU A 351 16.960 21.097 45.130 1.00 13.92 O ATOM 601 CB GLU A 351 19.732 22.700 46.002 1.00 19.31 C ATOM 602 CG GLU A 351 21.103 22.702 46.683 1.00 19.73 C ATOM 603 CD GLU A 351 21.552 24.079 47.192 1.00 25.90 C ATOM 604 OE1 GLU A 351 21.003 25.126 46.766 1.00 11.96 O ATOM 605 OE2 GLU A 351 22.480 24.107 48.029 1.00 26.72 O ATOM 606 H GLU A 351 21.199 21.572 44.225 1.00 0.00 H ATOM 607 N ALA A 352 18.048 22.067 43.416 1.00 14.21 N ATOM 608 CA ALA A 352 16.840 22.220 42.617 1.00 13.38 C ATOM 609 C ALA A 352 16.319 20.862 42.164 1.00 12.18 C ATOM 610 O ALA A 352 15.114 20.621 42.157 1.00 13.60 O ATOM 611 CB ALA A 352 17.110 23.124 41.419 1.00 11.94 C ATOM 612 H ALA A 352 18.955 22.411 43.042 1.00 0.00 H ATOM 613 N VAL A 353 17.231 19.959 41.807 1.00 12.72 N ATOM 614 CA VAL A 353 16.835 18.606 41.422 1.00 13.53 C ATOM 615 C VAL A 353 16.097 17.926 42.577 1.00 13.97 C ATOM 616 O VAL A 353 15.043 17.323 42.387 1.00 13.90 O ATOM 617 CB VAL A 353 18.044 17.756 40.968 1.00 15.15 C ATOM 618 CG1 VAL A 353 17.672 16.279 40.933 1.00 17.47 C ATOM 619 CG2 VAL A 353 18.545 18.215 39.597 1.00 13.77 C ATOM 620 H VAL A 353 18.238 20.220 41.802 1.00 0.00 H ATOM 621 N THR A 354 16.631 18.050 43.787 1.00 13.71 N ATOM 622 CA THR A 354 15.971 17.474 44.956 1.00 13.06 C ATOM 623 C THR A 354 14.567 18.051 45.163 1.00 11.99 C ATOM 624 O THR A 354 13.572 17.315 45.238 1.00 15.66 O ATOM 625 CB THR A 354 16.827 17.666 46.220 1.00 15.35 C ATOM 626 OG1 THR A 354 18.088 17.000 46.046 1.00 16.61 O ATOM 627 CG2 THR A 354 16.110 17.091 47.438 1.00 15.85 C ATOM 628 HG1 THR A 354 18.640 17.123 46.859 1.00 0.00 H ATOM 629 H THR A 354 17.528 18.563 43.903 1.00 0.00 H ATOM 630 N ILE A 355 14.470 19.373 45.226 1.00 12.21 N ATOM 631 CA ILE A 355 13.173 20.006 45.450 1.00 13.01 C ATOM 632 C ILE A 355 12.156 19.631 44.366 1.00 10.71 C ATOM 633 O ILE A 355 11.022 19.246 44.658 1.00 13.36 O ATOM 634 CB ILE A 355 13.329 21.538 45.529 1.00 10.09 C ATOM 635 CG1 ILE A 355 14.184 21.920 46.748 1.00 12.22 C ATOM 636 CG2 ILE A 355 11.976 22.223 45.609 1.00 13.52 C ATOM 637 CD1 ILE A 355 14.726 23.337 46.651 1.00 11.78 C ATOM 638 H ILE A 355 15.321 19.961 45.115 1.00 0.00 H ATOM 639 N LEU A 356 12.559 19.768 43.107 1.00 12.92 N ATOM 640 CA LEU A 356 11.659 19.466 42.001 1.00 13.53 C ATOM 641 C LEU A 356 11.206 18.011 42.020 1.00 15.70 C ATOM 642 O LEU A 356 10.025 17.725 41.807 1.00 15.65 O ATOM 643 CB LEU A 356 12.338 19.817 40.672 1.00 11.98 C ATOM 644 CG LEU A 356 12.376 21.321 40.367 1.00 11.91 C ATOM 645 CD1 LEU A 356 13.447 21.633 39.332 1.00 12.39 C ATOM 646 CD2 LEU A 356 11.001 21.853 39.925 1.00 15.02 C ATOM 647 H LEU A 356 13.526 20.094 42.909 1.00 0.00 H ATOM 648 N SER A 357 12.141 17.102 42.306 1.00 14.54 N ATOM 649 CA SER A 357 11.851 15.671 42.285 1.00 15.32 C ATOM 650 C SER A 357 10.904 15.237 43.408 1.00 17.29 C ATOM 651 O SER A 357 10.296 14.163 43.334 1.00 20.18 O ATOM 652 CB SER A 357 13.149 14.856 42.338 1.00 19.92 C ATOM 653 OG SER A 357 13.709 14.874 43.638 1.00 25.57 O ATOM 654 HG SER A 357 13.910 15.808 43.896 1.00 0.00 H ATOM 655 H SER A 357 13.100 17.421 42.550 1.00 0.00 H ATOM 656 N GLN A 358 10.782 16.069 44.439 1.00 16.17 N ATOM 657 CA GLN A 358 9.929 15.751 45.585 1.00 15.82 C ATOM 658 C GLN A 358 8.486 16.263 45.472 1.00 16.77 C ATOM 659 O GLN A 358 7.630 15.928 46.291 1.00 17.78 O ATOM 660 CB GLN A 358 10.594 16.228 46.885 1.00 12.76 C ATOM 661 CG GLN A 358 11.831 15.408 47.224 1.00 15.92 C ATOM 662 CD GLN A 358 12.616 15.950 48.397 1.00 16.95 C ATOM 663 OE1 GLN A 358 12.612 17.148 48.674 1.00 15.09 O ATOM 664 NE2 GLN A 358 13.313 15.059 49.093 1.00 17.78 N ATOM 665 HE22 GLN A 358 13.288 14.055 48.824 1.00 0.00 H ATOM 666 HE21 GLN A 358 13.883 15.366 49.907 1.00 0.00 H ATOM 667 H GLN A 358 11.306 16.967 44.430 1.00 0.00 H ATOM 668 N GLN A 359 8.202 17.062 44.447 1.00 14.68 N ATOM 669 CA GLN A 359 6.844 17.558 44.265 1.00 16.69 C ATOM 670 C GLN A 359 5.954 16.489 43.645 1.00 17.92 C ATOM 671 O GLN A 359 6.403 15.699 42.812 1.00 20.00 O ATOM 672 CB GLN A 359 6.840 18.814 43.393 1.00 14.02 C ATOM 673 CG GLN A 359 7.814 19.886 43.887 1.00 13.44 C ATOM 674 CD GLN A 359 7.680 20.159 45.372 1.00 13.12 C ATOM 675 OE1 GLN A 359 6.589 20.435 45.881 1.00 14.76 O ATOM 676 NE2 GLN A 359 8.800 20.079 46.079 1.00 14.40 N ATOM 677 HE22 GLN A 359 9.697 19.843 45.608 1.00 0.00 H ATOM 678 HE21 GLN A 359 8.781 20.252 47.104 1.00 0.00 H ATOM 679 H GLN A 359 8.949 17.333 43.776 1.00 0.00 H ATOM 680 N ARG A 360 4.693 16.474 44.059 1.00 18.41 N ATOM 681 CA ARG A 360 3.767 15.432 43.644 1.00 21.14 C ATOM 682 C ARG A 360 2.389 15.995 43.334 1.00 18.37 C ATOM 683 O ARG A 360 1.950 16.974 43.944 1.00 20.28 O ATOM 684 CB ARG A 360 3.656 14.376 44.750 1.00 24.65 C ATOM 685 CG ARG A 360 4.937 13.592 44.992 1.00 27.59 C ATOM 686 CD ARG A 360 4.813 12.727 46.231 1.00 38.72 C ATOM 687 NE ARG A 360 3.579 11.950 46.216 1.00 48.27 N ATOM 688 CZ ARG A 360 3.032 11.400 47.295 1.00 62.56 C ATOM 689 NH1 ARG A 360 1.904 10.710 47.190 1.00 68.22 N ATOM 690 NH2 ARG A 360 3.609 11.546 48.481 1.00 63.01 N ATOM 691 HE ARG A 360 3.097 11.818 45.304 1.00 0.00 H ATOM 692 HH12 ARG A 360 1.477 10.280 48.035 1.00 0.00 H ATOM 693 HH11 ARG A 360 1.447 10.599 46.263 1.00 0.00 H ATOM 694 HH22 ARG A 360 3.180 11.115 49.325 1.00 0.00 H ATOM 695 HH21 ARG A 360 4.490 12.091 48.567 1.00 0.00 H ATOM 696 H ARG A 360 4.359 17.226 44.696 1.00 0.00 H ATOM 697 N GLY A 361 1.706 15.374 42.375 1.00 19.38 N ATOM 698 CA GLY A 361 0.313 15.681 42.114 1.00 19.81 C ATOM 699 C GLY A 361 0.104 16.973 41.354 1.00 19.46 C ATOM 700 O GLY A 361 0.570 17.119 40.234 1.00 21.82 O ATOM 701 H GLY A 361 2.183 14.651 41.799 1.00 0.00 H ATOM 702 N GLU A 362 -0.597 17.910 41.979 1.00 19.33 N ATOM 703 CA GLU A 362 -0.874 19.210 41.384 1.00 26.95 C ATOM 704 C GLU A 362 0.273 20.151 41.716 1.00 24.14 C ATOM 705 O GLU A 362 0.447 20.541 42.869 1.00 26.78 O ATOM 706 CB GLU A 362 -2.192 19.751 41.942 1.00 37.88 C ATOM 707 CG GLU A 362 -2.625 21.099 41.400 1.00 46.26 C ATOM 708 CD GLU A 362 -4.079 21.401 41.717 1.00 51.97 C ATOM 709 OE1 GLU A 362 -4.872 20.442 41.829 1.00 54.67 O ATOM 710 OE2 GLU A 362 -4.430 22.592 41.857 1.00 50.84 O ATOM 711 H GLU A 362 -0.963 17.708 42.931 1.00 0.00 H ATOM 712 N ILE A 363 1.051 20.518 40.701 1.00 14.44 N ATOM 713 CA ILE A 363 2.292 21.251 40.905 1.00 12.71 C ATOM 714 C ILE A 363 2.250 22.602 40.191 1.00 13.47 C ATOM 715 O ILE A 363 1.899 22.676 39.010 1.00 15.73 O ATOM 716 CB ILE A 363 3.481 20.432 40.381 1.00 13.39 C ATOM 717 CG1 ILE A 363 3.523 19.069 41.096 1.00 15.87 C ATOM 718 CG2 ILE A 363 4.787 21.200 40.566 1.00 17.03 C ATOM 719 CD1 ILE A 363 4.505 18.097 40.526 1.00 15.93 C ATOM 720 H ILE A 363 0.764 20.274 39.732 1.00 0.00 H ATOM 721 N GLU A 364 2.601 23.669 40.900 1.00 11.99 N ATOM 722 CA GLU A 364 2.591 25.015 40.334 1.00 12.46 C ATOM 723 C GLU A 364 3.997 25.549 40.188 1.00 11.43 C ATOM 724 O GLU A 364 4.719 25.699 41.176 1.00 14.44 O ATOM 725 CB GLU A 364 1.803 25.980 41.226 1.00 14.70 C ATOM 726 CG GLU A 364 0.303 25.816 41.177 1.00 17.36 C ATOM 727 CD GLU A 364 -0.426 26.852 42.016 1.00 24.02 C ATOM 728 OE1 GLU A 364 0.239 27.646 42.725 1.00 26.69 O ATOM 729 OE2 GLU A 364 -1.672 26.866 41.972 1.00 25.10 O ATOM 730 H GLU A 364 2.892 23.542 41.890 1.00 0.00 H ATOM 731 N PHE A 365 4.386 25.856 38.959 1.00 9.26 N ATOM 732 CA PHE A 365 5.670 26.486 38.676 1.00 8.78 C ATOM 733 C PHE A 365 5.467 27.979 38.517 1.00 10.97 C ATOM 734 O PHE A 365 4.415 28.421 38.034 1.00 13.63 O ATOM 735 CB PHE A 365 6.249 25.963 37.357 1.00 10.37 C ATOM 736 CG PHE A 365 6.621 24.513 37.373 1.00 11.47 C ATOM 737 CD1 PHE A 365 5.658 23.526 37.212 1.00 14.14 C ATOM 738 CD2 PHE A 365 7.942 24.134 37.515 1.00 14.76 C ATOM 739 CE1 PHE A 365 6.020 22.187 37.229 1.00 19.08 C ATOM 740 CE2 PHE A 365 8.309 22.791 37.520 1.00 16.45 C ATOM 741 CZ PHE A 365 7.347 21.822 37.376 1.00 18.83 C ATOM 742 H PHE A 365 3.750 25.639 38.165 1.00 0.00 H ATOM 743 N GLU A 366 6.460 28.765 38.905 1.00 7.92 N ATOM 744 CA GLU A 366 6.516 30.170 38.534 1.00 7.42 C ATOM 745 C GLU A 366 7.763 30.329 37.674 1.00 8.99 C ATOM 746 O GLU A 366 8.873 30.015 38.113 1.00 9.81 O ATOM 747 CB GLU A 366 6.558 31.074 39.757 1.00 10.04 C ATOM 748 CG GLU A 366 5.271 30.964 40.568 1.00 13.81 C ATOM 749 CD GLU A 366 5.401 31.600 41.931 1.00 20.53 C ATOM 750 OE1 GLU A 366 5.341 32.841 41.998 1.00 24.60 O ATOM 751 OE2 GLU A 366 5.568 30.866 42.930 1.00 21.22 O ATOM 752 H GLU A 366 7.221 28.366 39.491 1.00 0.00 H ATOM 753 N VAL A 367 7.567 30.754 36.430 1.00 8.23 N ATOM 754 CA VAL A 367 8.635 30.795 35.433 1.00 8.09 C ATOM 755 C VAL A 367 8.672 32.131 34.725 1.00 7.71 C ATOM 756 O VAL A 367 7.652 32.798 34.585 1.00 9.79 O ATOM 757 CB VAL A 367 8.452 29.698 34.369 1.00 8.08 C ATOM 758 CG1 VAL A 367 8.692 28.323 34.972 1.00 11.21 C ATOM 759 CG2 VAL A 367 7.055 29.769 33.749 1.00 10.51 C ATOM 760 H VAL A 367 6.615 31.070 36.155 1.00 0.00 H ATOM 761 N VAL A 368 9.850 32.509 34.250 1.00 7.61 N ATOM 762 CA VAL A 368 9.985 33.668 33.377 1.00 7.44 C ATOM 763 C VAL A 368 10.947 33.289 32.245 1.00 9.30 C ATOM 764 O VAL A 368 12.019 32.723 32.496 1.00 9.35 O ATOM 765 CB VAL A 368 10.444 34.934 34.148 1.00 7.22 C ATOM 766 CG1 VAL A 368 11.777 34.709 34.857 1.00 11.35 C ATOM 767 CG2 VAL A 368 10.508 36.158 33.210 1.00 10.98 C ATOM 768 H VAL A 368 10.699 31.965 34.506 1.00 0.00 H ATOM 769 N TYR A 369 10.548 33.576 31.008 1.00 7.88 N ATOM 770 CA TYR A 369 11.430 33.319 29.880 1.00 7.97 C ATOM 771 C TYR A 369 12.619 34.274 29.893 1.00 10.48 C ATOM 772 O TYR A 369 12.433 35.495 30.034 1.00 11.63 O ATOM 773 CB TYR A 369 10.653 33.417 28.559 1.00 8.93 C ATOM 774 CG TYR A 369 11.564 33.163 27.379 1.00 9.18 C ATOM 775 CD1 TYR A 369 11.973 31.876 27.070 1.00 10.02 C ATOM 776 CD2 TYR A 369 12.076 34.217 26.634 1.00 12.02 C ATOM 777 CE1 TYR A 369 12.846 31.639 26.025 1.00 11.24 C ATOM 778 CE2 TYR A 369 12.949 33.985 25.575 1.00 13.19 C ATOM 779 CZ TYR A 369 13.327 32.695 25.289 1.00 10.30 C ATOM 780 OH TYR A 369 14.202 32.466 24.252 1.00 12.77 O ATOM 781 HH TYR A 369 15.053 32.939 24.429 1.00 0.00 H ATOM 782 H TYR A 369 9.605 33.984 30.848 1.00 0.00 H ATOM 783 N VAL A 370 13.831 33.730 29.727 1.00 11.65 N ATOM 784 CA VAL A 370 15.050 34.544 29.729 1.00 11.70 C ATOM 785 C VAL A 370 15.758 34.568 28.371 1.00 18.48 C ATOM 786 O VAL A 370 16.004 35.647 27.842 1.00 27.76 O ATOM 787 CB VAL A 370 16.037 34.146 30.854 1.00 21.63 C ATOM 788 CG1 VAL A 370 15.384 34.318 32.207 1.00 23.18 C ATOM 789 CG2 VAL A 370 16.495 32.729 30.694 1.00 31.53 C ATOM 790 H VAL A 370 13.910 32.702 29.593 1.00 0.00 H TER 791 VAL A 370 HETATM 792 O HOH 1 7.974 34.885 30.559 1.00 9.71 O HETATM 793 O HOH 2 0.000 35.552 38.272 1.00 12.08 O HETATM 794 O HOH 3 2.015 37.115 34.722 1.00 11.66 O HETATM 795 O HOH 4 6.847 16.727 29.277 1.00 13.53 O HETATM 796 O HOH 5 0.000 35.552 35.645 1.00 12.33 O HETATM 797 O HOH 6 2.994 30.031 30.380 1.00 15.42 O HETATM 798 O HOH 7 16.107 29.649 39.384 1.00 13.58 O HETATM 799 O HOH 8 5.141 28.206 42.924 1.00 15.56 O HETATM 800 O HOH 9 11.402 19.749 48.806 1.00 14.31 O HETATM 801 O HOH 10 2.501 34.960 38.253 1.00 18.18 O HETATM 802 O HOH 11 16.456 33.668 25.075 1.00 19.72 O HETATM 803 O HOH 12 10.391 37.097 29.458 1.00 21.09 O HETATM 804 O HOH 13 1.519 36.523 32.060 1.00 18.80 O HETATM 805 O HOH 14 12.618 39.062 33.248 1.00 19.85 O HETATM 806 O HOH 15 2.722 22.047 32.669 1.00 19.13 O HETATM 807 O HOH 16 19.885 18.130 47.760 1.00 20.70 O HETATM 808 O HOH 17 8.323 15.884 40.678 1.00 20.95 O HETATM 809 O HOH 18 12.081 20.518 24.267 1.00 19.21 O HETATM 810 O HOH 19 7.031 35.435 28.146 1.00 22.83 O HETATM 811 O HOH 20 4.826 22.838 28.770 1.00 23.70 O HETATM 812 O HOH 21 24.723 21.282 42.433 1.00 28.50 O HETATM 813 O HOH 22 -2.796 33.117 40.635 1.00 25.20 O HETATM 814 O HOH 23 16.853 31.114 28.245 1.00 22.13 O HETATM 815 O HOH 24 4.015 18.316 46.221 1.00 25.75 O HETATM 816 O HOH 25 2.959 12.731 41.586 1.00 28.27 O HETATM 817 O HOH 26 -3.008 22.896 28.605 1.00 22.39 O HETATM 818 O HOH 27 16.537 30.008 46.174 1.00 25.71 O HETATM 819 O HOH 28 2.342 25.453 25.946 1.00 31.74 O HETATM 820 O HOH 29 -3.519 25.239 41.101 1.00 30.35 O HETATM 821 O HOH 30 16.726 26.321 49.001 1.00 25.54 O HETATM 822 O HOH 31 5.725 28.980 50.159 1.00 27.37 O HETATM 823 O HOH 32 6.352 31.511 45.326 1.00 30.09 O HETATM 824 O HOH 33 13.812 37.645 31.250 1.00 32.04 O HETATM 825 O HOH 34 20.977 27.735 47.838 1.00 25.64 O HETATM 826 O HOH 35 19.350 28.970 40.953 1.00 24.58 O HETATM 827 O HOH 36 1.961 19.525 44.654 1.00 32.53 O HETATM 828 O HOH 37 -1.140 14.541 33.808 1.00 34.56 O HETATM 829 O HOH 38 7.844 18.454 23.913 1.00 32.92 O HETATM 830 O HOH 39 15.728 34.978 46.035 1.00 31.52 O HETATM 831 O HOH 40 9.303 11.607 26.426 1.00 38.06 O HETATM 832 O HOH 41 15.916 36.587 24.628 1.00 34.89 O HETATM 833 O HOH 42 -2.611 14.870 30.701 1.00 44.45 O HETATM 834 O HOH 43 -1.826 17.476 44.755 1.00 35.90 O HETATM 835 O HOH 44 13.513 37.637 26.909 1.00 39.54 O HETATM 836 O HOH 45 4.526 34.293 44.059 1.00 33.71 O HETATM 837 O HOH 46 15.154 21.359 23.900 1.00 34.11 O HETATM 838 O HOH 47 25.439 32.426 41.467 1.00 46.60 O HETATM 839 O HOH 48 3.871 24.823 23.877 1.00 42.95 O HETATM 840 O HOH 49 -0.306 8.796 41.507 1.00 38.76 O HETATM 841 O HOH 50 6.680 32.332 26.820 1.00 39.64 O HETATM 842 O HOH 51 6.447 31.428 51.640 1.00 48.34 O HETATM 843 O HOH 52 18.281 28.659 47.947 1.00 29.37 O HETATM 844 O HOH 53 22.790 35.534 35.457 1.00 48.38 O HETATM 845 O HOH 54 1.925 37.272 29.526 1.00 31.87 O HETATM 846 O HOH 55 10.302 12.205 41.221 1.00 42.76 O HETATM 847 O HOH 56 6.868 12.966 42.465 1.00 44.10 O HETATM 848 O HOH 57 21.719 34.445 39.049 1.00 50.37 O HETATM 849 O HOH 58 3.550 34.980 28.415 1.00 48.33 O HETATM 850 O HOH 59 -0.331 26.315 27.323 1.00 25.64 O HETATM 851 O HOH 60 30.264 23.097 48.060 1.00 42.96 O HETATM 852 O HOH 61 -1.152 18.943 25.164 1.00 32.11 O HETATM 853 O HOH 62 -0.353 21.800 25.775 1.00 36.46 O HETATM 854 O HOH 63 1.275 15.387 24.067 1.00 45.35 O HETATM 855 O HOH 64 -2.871 29.232 42.265 1.00 34.98 O HETATM 856 O HOH 65 17.167 32.824 48.480 1.00 35.43 O HETATM 857 O HOH 66 6.509 14.965 48.578 1.00 47.49 O HETATM 858 O HOH 67 13.149 13.857 24.721 1.00 43.96 O HETATM 859 O HOH 68 3.916 20.550 22.627 1.00 45.71 O HETATM 860 O HOH 69 10.840 14.113 39.176 1.00 30.59 O HETATM 861 N ARG A 70 29.490 23.932 30.234 1.00 0.24 N HETATM 862 CA ARG A 70 30.022 23.595 31.549 1.00 0.07 C HETATM 863 C ARG A 70 28.922 23.328 32.580 1.00 0.23 C HETATM 864 O ARG A 70 29.198 23.247 33.777 1.00 -0.39 O HETATM 865 N ARG A 70 27.683 23.176 32.115 1.00 -0.26 N HETATM 866 CA ARG A 70 26.538 23.044 33.019 1.00 0.14 C HETATM 867 C ARG A 70 25.988 21.622 33.116 1.00 0.21 C HETATM 868 O ARG A 70 25.878 20.917 32.111 1.00 -0.39 O HETATM 869 N ARG A 70 25.608 21.209 34.306 1.00 -0.26 N HETATM 870 CA ARG A 70 24.909 19.963 34.474 1.00 0.13 C HETATM 871 C ARG A 70 23.540 20.031 33.796 1.00 0.20 C HETATM 872 O ARG A 70 22.976 21.064 33.698 1.00 -0.39 O HETATM 873 N ARG A 70 23.020 18.890 33.423 1.00 -0.26 N HETATM 874 CA ARG A 70 21.686 18.813 32.847 1.00 0.14 C HETATM 875 C ARG A 70 20.986 17.560 33.360 1.00 0.21 C HETATM 876 O ARG A 70 21.504 16.453 33.218 1.00 -0.39 O HETATM 877 N ARG A 70 19.808 17.730 33.955 1.00 -0.26 N HETATM 878 CA ARG A 70 19.134 16.620 34.628 1.00 0.16 C HETATM 879 C ARG A 70 17.684 16.456 34.194 1.00 0.21 C HETATM 880 O ARG A 70 16.910 17.408 34.231 1.00 -0.39 O HETATM 881 N ARG A 70 17.326 15.246 33.778 1.00 -0.26 N HETATM 882 CA ARG A 70 15.945 14.913 33.457 1.00 0.13 C HETATM 883 C ARG A 70 15.123 14.612 34.712 1.00 0.20 C HETATM 884 O ARG A 70 15.543 13.831 35.585 1.00 -0.39 O HETATM 885 N ARG A 70 13.947 15.229 34.800 1.00 -0.27 N HETATM 886 CA ARG A 70 13.072 15.102 35.959 1.00 0.09 C HETATM 887 C ARG A 70 11.681 14.639 35.553 1.00 0.06 C HETATM 888 O ARG A 70 11.325 14.677 34.367 1.00 -0.57 O HETATM 889 OXT ARG A 70 10.881 14.256 36.405 1.00 -0.57 O HETATM 890 CB ARG A 70 12.947 16.449 36.682 1.00 -0.02 C HETATM 891 CG ARG A 70 14.243 17.167 37.057 1.00 -0.04 C HETATM 892 CD1 ARG A 70 13.959 18.603 37.483 1.00 -0.06 C HETATM 893 H ARG A 70 14.904 19.100 37.748 1.00 0.02 H HETATM 894 H ARG A 70 13.288 18.601 38.355 1.00 0.02 H HETATM 895 H ARG A 70 13.480 19.144 36.653 1.00 0.02 H HETATM 896 CD2 ARG A 70 14.976 16.414 38.157 1.00 -0.06 C HETATM 897 H ARG A 70 15.170 15.382 37.828 1.00 0.02 H HETATM 898 H ARG A 70 14.357 16.399 39.066 1.00 0.02 H HETATM 899 H ARG A 70 15.931 16.916 38.372 1.00 0.02 H HETATM 900 H ARG A 70 14.891 17.194 36.168 1.00 0.03 H HETATM 901 H ARG A 70 12.386 16.274 37.612 1.00 0.03 H HETATM 902 H ARG A 70 12.373 17.123 36.028 1.00 0.03 H HETATM 903 H ARG A 70 13.507 14.363 36.647 1.00 0.07 H HETATM 904 H ARG A 70 13.651 15.805 34.038 1.00 0.19 H HETATM 905 CB ARG A 70 15.900 13.726 32.496 1.00 -0.01 C HETATM 906 CG ARG A 70 14.509 13.359 32.036 1.00 -0.02 C HETATM 907 CD ARG A 70 14.589 12.428 30.839 1.00 0.06 C HETATM 908 NE ARG A 70 13.272 12.029 30.355 1.00 -0.27 N HETATM 909 CZ ARG A 70 13.058 11.484 29.160 1.00 0.29 C HETATM 910 NH1 ARG A 70 14.073 11.285 28.331 1.00 -0.28 N HETATM 911 H ARG A 70 13.907 10.863 27.406 1.00 0.26 H HETATM 912 H ARG A 70 15.027 11.552 28.612 1.00 0.26 H HETATM 913 NH2 ARG A 70 11.832 11.144 28.792 1.00 -0.28 N HETATM 914 H ARG A 70 11.041 11.297 29.433 1.00 0.26 H HETATM 915 H ARG A 70 11.670 10.726 27.864 1.00 0.26 H HETATM 916 H ARG A 70 12.462 12.178 30.973 1.00 0.26 H HETATM 917 H ARG A 70 15.146 11.525 31.130 1.00 0.07 H HETATM 918 H ARG A 70 15.123 12.943 30.026 1.00 0.07 H HETATM 919 H ARG A 70 13.966 14.272 31.752 1.00 0.03 H HETATM 920 H ARG A 70 13.975 12.855 32.855 1.00 0.03 H HETATM 921 H ARG A 70 16.338 12.854 33.003 1.00 0.03 H HETATM 922 H ARG A 70 16.503 13.975 31.610 1.00 0.03 H HETATM 923 H ARG A 70 15.493 15.782 32.956 1.00 0.08 H HETATM 924 H ARG A 70 18.028 14.540 33.682 1.00 0.19 H HETATM 925 CB ARG A 70 19.181 16.798 36.149 1.00 0.09 C HETATM 926 OG1 ARG A 70 20.548 16.906 36.565 1.00 -0.39 O HETATM 927 H ARG A 70 20.948 17.657 36.142 1.00 0.21 H HETATM 928 CG2 ARG A 70 18.507 15.625 36.859 1.00 -0.03 C HETATM 929 H ARG A 70 18.555 15.778 37.947 1.00 0.03 H HETATM 930 H ARG A 70 19.026 14.691 36.597 1.00 0.03 H HETATM 931 H ARG A 70 17.455 15.561 36.544 1.00 0.03 H HETATM 932 H ARG A 70 18.650 17.724 36.416 1.00 0.06 H HETATM 933 H ARG A 70 19.673 15.697 34.369 1.00 0.08 H HETATM 934 H ARG A 70 19.376 18.632 33.942 1.00 0.19 H HETATM 935 CB ARG A 70 21.776 18.789 31.324 1.00 0.04 C HETATM 936 CG ARG A 70 20.419 18.794 30.663 1.00 0.04 C HETATM 937 OD1 ARG A 70 19.939 19.892 30.313 1.00 -0.57 O HETATM 938 OD2 ARG A 70 19.837 17.702 30.495 1.00 -0.57 O HETATM 939 H ARG A 70 22.314 17.880 31.017 1.00 0.05 H HETATM 940 H ARG A 70 22.334 19.676 30.990 1.00 0.05 H HETATM 941 H ARG A 70 21.109 19.697 33.155 1.00 0.08 H HETATM 942 H ARG A 70 23.552 18.051 33.536 1.00 0.19 H HETATM 943 CB ARG A 70 24.727 19.683 35.969 1.00 0.00 C HETATM 944 CG ARG A 70 26.011 19.862 36.736 1.00 0.04 C HETATM 945 CD ARG A 70 25.846 20.115 38.209 1.00 0.17 C HETATM 946 OE1 ARG A 70 25.518 19.224 38.988 1.00 -0.40 O HETATM 947 NE2 ARG A 70 26.107 21.322 38.596 1.00 -0.30 N HETATM 948 H ARG A 70 26.020 21.567 39.562 1.00 0.18 H HETATM 949 H ARG A 70 26.396 22.009 37.929 1.00 0.18 H HETATM 950 H ARG A 70 26.550 20.717 36.302 1.00 0.05 H HETATM 951 H ARG A 70 26.611 18.949 36.613 1.00 0.05 H HETATM 952 H ARG A 70 24.378 18.648 36.097 1.00 0.03 H HETATM 953 H ARG A 70 23.973 20.376 36.371 1.00 0.03 H HETATM 954 H ARG A 70 25.498 19.152 34.020 1.00 0.08 H HETATM 955 H ARG A 70 25.809 21.771 35.108 1.00 0.19 H HETATM 956 CB ARG A 70 25.403 23.967 32.573 1.00 0.00 C HETATM 957 CG ARG A 70 25.771 25.408 32.480 1.00 -0.04 C HETATM 958 CD1 ARG A 70 26.981 25.971 32.768 1.00 0.02 C HETATM 959 NE1 ARG A 70 26.930 27.329 32.563 1.00 -0.29 N HETATM 960 CE2 ARG A 70 25.673 27.665 32.131 1.00 0.06 C HETATM 961 CD2 ARG A 70 24.915 26.479 32.072 1.00 -0.02 C HETATM 962 CE3 ARG A 70 23.582 26.549 31.657 1.00 -0.07 C HETATM 963 CZ3 ARG A 70 23.056 27.783 31.318 1.00 -0.08 C HETATM 964 CH2 ARG A 70 23.834 28.945 31.393 1.00 -0.08 C HETATM 965 CZ2 ARG A 70 25.142 28.905 31.797 1.00 -0.04 C HETATM 966 H ARG A 70 25.741 29.807 31.854 1.00 0.05 H HETATM 967 H ARG A 70 23.391 29.898 31.125 1.00 0.05 H HETATM 968 H ARG A 70 22.025 27.851 30.989 1.00 0.05 H HETATM 969 H ARG A 70 22.973 25.654 31.602 1.00 0.05 H HETATM 970 H ARG A 70 27.709 27.987 32.710 1.00 0.22 H HETATM 971 H ARG A 70 27.858 25.424 33.110 1.00 0.08 H HETATM 972 H ARG A 70 24.579 23.870 33.295 1.00 0.04 H HETATM 973 H ARG A 70 25.062 23.636 31.581 1.00 0.04 H HETATM 974 H ARG A 70 26.869 23.350 34.023 1.00 0.08 H HETATM 975 H ARG A 70 27.531 23.151 31.127 1.00 0.19 H HETATM 976 CB ARG A 70 30.954 24.705 32.052 1.00 0.01 C HETATM 977 CG ARG A 70 30.736 26.063 31.391 1.00 -0.01 C HETATM 978 CD ARG A 70 31.487 27.182 32.114 1.00 0.06 C HETATM 979 NE ARG A 70 30.751 27.679 33.275 1.00 -0.27 N HETATM 980 CZ ARG A 70 31.101 28.742 33.996 1.00 0.29 C HETATM 981 NH1 ARG A 70 32.188 29.440 33.688 1.00 -0.28 N HETATM 982 H ARG A 70 32.450 30.261 34.252 1.00 0.26 H HETATM 983 H ARG A 70 32.769 29.160 32.885 1.00 0.26 H HETATM 984 NH2 ARG A 70 30.356 29.111 35.031 1.00 -0.28 N HETATM 985 H ARG A 70 29.512 28.574 35.275 1.00 0.26 H HETATM 986 H ARG A 70 30.622 29.934 35.590 1.00 0.26 H HETATM 987 H ARG A 70 29.901 27.170 33.555 1.00 0.26 H HETATM 988 H ARG A 70 31.645 28.014 31.412 1.00 0.07 H HETATM 989 H ARG A 70 32.461 26.796 32.450 1.00 0.07 H HETATM 990 H ARG A 70 29.660 26.294 31.401 1.00 0.03 H HETATM 991 H ARG A 70 31.091 26.012 30.351 1.00 0.03 H HETATM 992 H ARG A 70 31.992 24.394 31.863 1.00 0.03 H HETATM 993 H ARG A 70 30.797 24.821 33.135 1.00 0.03 H HETATM 994 H ARG A 70 30.613 22.673 31.443 1.00 0.11 H HETATM 995 H ARG A 70 30.252 24.098 29.596 1.00 0.20 H HETATM 996 H ARG A 70 28.924 24.763 30.303 1.00 0.20 H HETATM 997 H ARG A 70 28.927 23.169 29.894 1.00 0.20 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 389 390 393 394 395 CONECT 393 389 CONECT 394 389 CONECT 395 389 CONECT 861 862 995 996 997 CONECT 862 861 863 976 994 CONECT 863 862 864 865 CONECT 864 863 CONECT 865 863 866 975 CONECT 866 865 867 956 974 CONECT 867 866 868 869 CONECT 868 867 CONECT 869 867 870 955 CONECT 870 869 871 943 954 CONECT 871 870 872 873 CONECT 872 871 CONECT 873 871 874 942 CONECT 874 873 875 935 941 CONECT 875 874 876 877 CONECT 876 875 CONECT 877 875 878 934 CONECT 878 877 879 925 933 CONECT 879 878 880 881 CONECT 880 879 CONECT 881 879 882 924 CONECT 882 881 883 905 923 CONECT 883 882 884 885 CONECT 884 883 CONECT 885 883 886 904 CONECT 886 885 887 890 903 CONECT 887 886 888 889 CONECT 888 887 CONECT 889 887 CONECT 890 886 891 901 902 CONECT 891 890 892 896 900 CONECT 892 891 893 894 895 CONECT 893 892 CONECT 894 892 CONECT 895 892 CONECT 896 891 897 898 899 CONECT 897 896 CONECT 898 896 CONECT 899 896 CONECT 900 891 CONECT 901 890 CONECT 902 890 CONECT 903 886 CONECT 904 885 CONECT 905 882 906 921 922 CONECT 906 905 907 919 920 CONECT 907 906 908 917 918 CONECT 908 907 909 916 CONECT 909 908 910 913 CONECT 910 909 911 912 CONECT 911 910 CONECT 912 910 CONECT 913 909 914 915 CONECT 914 913 CONECT 915 913 CONECT 916 908 CONECT 917 907 CONECT 918 907 CONECT 919 906 CONECT 920 906 CONECT 921 905 CONECT 922 905 CONECT 923 882 CONECT 924 881 CONECT 925 878 926 928 932 CONECT 926 925 927 CONECT 927 926 CONECT 928 925 929 930 931 CONECT 929 928 CONECT 930 928 CONECT 931 928 CONECT 932 925 CONECT 933 878 CONECT 934 877 CONECT 935 874 936 939 940 CONECT 936 935 937 938 CONECT 937 936 CONECT 938 936 CONECT 939 935 CONECT 940 935 CONECT 941 874 CONECT 942 873 CONECT 943 870 944 952 953 CONECT 944 943 945 950 951 CONECT 945 944 946 947 CONECT 946 945 CONECT 947 945 948 949 CONECT 948 947 CONECT 949 947 CONECT 950 944 CONECT 951 944 CONECT 952 943 CONECT 953 943 CONECT 954 870 CONECT 955 869 CONECT 956 866 957 972 973 CONECT 957 956 958 961 CONECT 958 957 959 971 CONECT 959 958 960 970 CONECT 960 959 961 965 CONECT 961 957 960 962 CONECT 962 961 963 969 CONECT 963 962 964 968 CONECT 964 963 965 967 CONECT 965 960 964 966 CONECT 966 965 CONECT 967 964 CONECT 968 963 CONECT 969 962 CONECT 970 959 CONECT 971 958 CONECT 972 956 CONECT 973 956 CONECT 974 866 CONECT 975 865 CONECT 976 862 977 992 993 CONECT 977 976 978 990 991 CONECT 978 977 979 988 989 CONECT 979 978 980 987 CONECT 980 979 981 984 CONECT 981 980 982 983 CONECT 982 981 CONECT 983 981 CONECT 984 980 985 986 CONECT 985 984 CONECT 986 984 CONECT 987 979 CONECT 988 978 CONECT 989 978 CONECT 990 977 CONECT 991 977 CONECT 992 976 CONECT 993 976 CONECT 994 862 CONECT 995 861 CONECT 996 861 CONECT 997 861 MASTER 0 0 0 0 0 0 0 0 995 2 145 8 END
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Structure:
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Related entries of code: 4k75
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4e34
RCSB PDB
PDBbind
87aa, >4E34_1|Chains... *
4e35
RCSB PDB
PDBbind
87aa, >4E35_1|Chains... at 100%
4joe
RCSB PDB
PDBbind
87aa, >4JOE_1|Chains... at 100%
4jof
RCSB PDB
PDBbind
87aa, >4JOF_1|Chains... at 100%
4jog
RCSB PDB
PDBbind
87aa, >4JOG_1|Chains... at 100%
4joh
RCSB PDB
PDBbind
87aa, >4JOH_1|Chains... at 100%
4joj
RCSB PDB
PDBbind
87aa, >4JOJ_1|Chains... at 100%
4jok
RCSB PDB
PDBbind
87aa, >4JOK_1|Chains... at 100%
4k6y
RCSB PDB
PDBbind
87aa, >4K6Y_1|Chains... at 100%
4k72
RCSB PDB
PDBbind
87aa, >4K72_1|Chains... at 100%
4k76
RCSB PDB
PDBbind
87aa, >4K76_1|Chains... at 100%
4k78
RCSB PDB
PDBbind
87aa, >4K78_1|Chain... at 98%
4nmo
RCSB PDB
PDBbind
87aa, >4NMO_1|Chains... at 100%
4nmp
RCSB PDB
PDBbind
87aa, >4NMP_1|Chains... at 100%
4nmq
RCSB PDB
PDBbind
87aa, >4NMQ_1|Chains... at 100%
4nmr
RCSB PDB
PDBbind
87aa, >4NMR_1|Chains... at 100%
4nms
RCSB PDB
PDBbind
87aa, >4NMS_1|Chains... at 100%
4nmt
RCSB PDB
PDBbind
87aa, >4NMT_1|Chains... at 100%
4nmv
RCSB PDB
PDBbind
87aa, >4NMV_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1aqc
RCSB PDB
PDBbind
10-mer
1awi
RCSB PDB
PDBbind
10-mer
1aze
RCSB PDB
PDBbind
10-mer
1bjr
RCSB PDB
PDBbind
10-mer
1cka
RCSB PDB
PDBbind
10-mer
1ckb
RCSB PDB
PDBbind
10-mer
1eb1
RCSB PDB
PDBbind
10-mer
1gbq
RCSB PDB
PDBbind
10-mer
1gvu
RCSB PDB
PDBbind
10-mer
1him
RCSB PDB
PDBbind
10-mer
1jd5
RCSB PDB
PDBbind
10-mer
1jd6
RCSB PDB
PDBbind
10-mer
1jmq
RCSB PDB
PDBbind
10-mer
1pyw
RCSB PDB
PDBbind
10-mer
1vj6
RCSB PDB
PDBbind
10-mer
1vr1
RCSB PDB
PDBbind
10-mer
1y2a
RCSB PDB
PDBbind
10-mer
1ywi
RCSB PDB
PDBbind
10-mer
1yy6
RCSB PDB
PDBbind
10-mer
1zkk
RCSB PDB
PDBbind
10-mer
2a0t
RCSB PDB
PDBbind
10-mer
2aoh
RCSB PDB
PDBbind
10-mer
2aoj
RCSB PDB
PDBbind
10-mer
2axi
RCSB PDB
PDBbind
10-mer
2azm
RCSB PDB
PDBbind
10-mer
2b7f
RCSB PDB
PDBbind
10-mer
2c2l
RCSB PDB
PDBbind
10-mer
2gfa
RCSB PDB
PDBbind
10-mer
2h13
RCSB PDB
PDBbind
10-mer
2hrp
RCSB PDB
PDBbind
10-mer
2ig0
RCSB PDB
PDBbind
10-mer
2jmj
RCSB PDB
PDBbind
10-mer
2jqi
RCSB PDB
PDBbind
10-mer
2jql
RCSB PDB
PDBbind
10-mer
2k2r
RCSB PDB
PDBbind
10-mer
2ke1
RCSB PDB
PDBbind
10-mer
2mnz
RCSB PDB
PDBbind
10-mer
2nxd
RCSB PDB
PDBbind
10-mer
2nxl
RCSB PDB
PDBbind
10-mer
2nxm
RCSB PDB
PDBbind
10-mer
2o9v
RCSB PDB
PDBbind
10-mer
2peh
RCSB PDB
PDBbind
10-mer
2pr9
RCSB PDB
PDBbind
10-mer
2puy
RCSB PDB
PDBbind
10-mer
2qqs
RCSB PDB
PDBbind
10-mer
2r3y
RCSB PDB
PDBbind
10-mer
2r7g
RCSB PDB
PDBbind
10-mer
2rr4
RCSB PDB
PDBbind
10-mer
2v7d
RCSB PDB
PDBbind
10-mer
2vnf
RCSB PDB
PDBbind
10-mer
2w6t
RCSB PDB
PDBbind
10-mer
2w77
RCSB PDB
PDBbind
10-mer
2wa8
RCSB PDB
PDBbind
10-mer
2wp1
RCSB PDB
PDBbind
10-mer
2z5o
RCSB PDB
PDBbind
10-mer
3al3
RCSB PDB
PDBbind
10-mer
3bh8
RCSB PDB
PDBbind
10-mer
3bh9
RCSB PDB
PDBbind
10-mer
3bhb
RCSB PDB
PDBbind
10-mer
3c94
RCSB PDB
PDBbind
10-mer
3d1e
RCSB PDB
PDBbind
10-mer
3diw
RCSB PDB
PDBbind
10-mer
3dnj
RCSB PDB
PDBbind
10-mer
3dpc
RCSB PDB
PDBbind
10-mer
3dvp
RCSB PDB
PDBbind
10-mer
3ebb
RCSB PDB
PDBbind
10-mer
3er5
RCSB PDB
PDBbind
10-mer
3f9w
RCSB PDB
PDBbind
10-mer
3f9y
RCSB PDB
PDBbind
10-mer
3fe7
RCSB PDB
PDBbind
10-mer
3fea
RCSB PDB
PDBbind
10-mer
3gbq
RCSB PDB
PDBbind
10-mer
3gds
RCSB PDB
PDBbind
10-mer
3hg1
RCSB PDB
PDBbind
10-mer
3iqj
RCSB PDB
PDBbind
10-mer
3ivv
RCSB PDB
PDBbind
10-mer
3nkx
RCSB PDB
PDBbind
10-mer
3oq5
RCSB PDB
PDBbind
10-mer
3puj
RCSB PDB
PDBbind
10-mer
3puk
RCSB PDB
PDBbind
10-mer
3pxe
RCSB PDB
PDBbind
10-mer
3q8d
RCSB PDB
PDBbind
10-mer
3qzt
RCSB PDB
PDBbind
10-mer
3rwi
RCSB PDB
PDBbind
10-mer
3shv
RCSB PDB
PDBbind
10-mer
3szm
RCSB PDB
PDBbind
10-mer
3tkz
RCSB PDB
PDBbind
10-mer
3tl0
RCSB PDB
PDBbind
10-mer
3uii
RCSB PDB
PDBbind
10-mer
3uik
RCSB PDB
PDBbind
10-mer
3uvm
RCSB PDB
PDBbind
10-mer
3zmp
RCSB PDB
PDBbind
10-mer
3zmq
RCSB PDB
PDBbind
10-mer
4bg6
RCSB PDB
PDBbind
10-mer
4e34
RCSB PDB
PDBbind
10-mer
4e35
RCSB PDB
PDBbind
10-mer
4e3b
RCSB PDB
PDBbind
10-mer
4e81
RCSB PDB
PDBbind
10-mer
4e9d
RCSB PDB
PDBbind
10-mer
4er4
RCSB PDB
PDBbind
10-mer
4h39
RCSB PDB
PDBbind
10-mer
4h3b
RCSB PDB
PDBbind
10-mer
4hcz
RCSB PDB
PDBbind
10-mer
4i2w
RCSB PDB
PDBbind
10-mer
4i2z
RCSB PDB
PDBbind
10-mer
4jfd
RCSB PDB
PDBbind
10-mer
4jfe
RCSB PDB
PDBbind
10-mer
4jff
RCSB PDB
PDBbind
10-mer
4jjq
RCSB PDB
PDBbind
10-mer
4joe
RCSB PDB
PDBbind
10-mer
4jof
RCSB PDB
PDBbind
10-mer
4jog
RCSB PDB
PDBbind
10-mer
4joh
RCSB PDB
PDBbind
10-mer
4joj
RCSB PDB
PDBbind
10-mer
4jok
RCSB PDB
PDBbind
10-mer
4k6y
RCSB PDB
PDBbind
10-mer
4k72
RCSB PDB
PDBbind
10-mer
4k76
RCSB PDB
PDBbind
10-mer
4k78
RCSB PDB
PDBbind
10-mer
4lnp
RCSB PDB
PDBbind
10-mer
4mdr
RCSB PDB
PDBbind
10-mer
4n84
RCSB PDB
PDBbind
10-mer
4nmo
RCSB PDB
PDBbind
10-mer
4nmp
RCSB PDB
PDBbind
10-mer
4nmq
RCSB PDB
PDBbind
10-mer
4nmr
RCSB PDB
PDBbind
10-mer
4nms
RCSB PDB
PDBbind
10-mer
4nmt
RCSB PDB
PDBbind
10-mer
4nmv
RCSB PDB
PDBbind
10-mer
4o2c
RCSB PDB
PDBbind
10-mer
4oz1
RCSB PDB
PDBbind
10-mer
4p0a
RCSB PDB
PDBbind
10-mer
4p0b
RCSB PDB
PDBbind
10-mer
4qok
RCSB PDB
PDBbind
10-mer
4rqz
RCSB PDB
PDBbind
10-mer
4u90
RCSB PDB
PDBbind
10-mer
4v11
RCSB PDB
PDBbind
10-mer
4wj5
RCSB PDB
PDBbind
10-mer
4x1n
RCSB PDB
PDBbind
10-mer
4x1p
RCSB PDB
PDBbind
10-mer
4x1q
RCSB PDB
PDBbind
10-mer
4x1r
RCSB PDB
PDBbind
10-mer
4x1s
RCSB PDB
PDBbind
10-mer
4x34
RCSB PDB
PDBbind
10-mer
4x3s
RCSB PDB
PDBbind
10-mer
4x8n
RCSB PDB
PDBbind
10-mer
4xhv
RCSB PDB
PDBbind
10-mer
4z0u
RCSB PDB
PDBbind
10-mer
4z7i
RCSB PDB
PDBbind
10-mer
4zhl
RCSB PDB
PDBbind
10-mer
4zhm
RCSB PDB
PDBbind
10-mer
5ab0
RCSB PDB
PDBbind
10-mer
5aei
RCSB PDB
PDBbind
10-mer
5azg
RCSB PDB
PDBbind
10-mer
5c0m
RCSB PDB
PDBbind
10-mer
5c11
RCSB PDB
PDBbind
10-mer
5c13
RCSB PDB
PDBbind
10-mer
5d6y
RCSB PDB
PDBbind
10-mer
5gp7
RCSB PDB
PDBbind
10-mer
5gs4
RCSB PDB
PDBbind
10-mer
5gtr
RCSB PDB
PDBbind
10-mer
5iaw
RCSB PDB
PDBbind
10-mer
5j31
RCSB PDB
PDBbind
10-mer
5jzi
RCSB PDB
PDBbind
10-mer
5myo
RCSB PDB
PDBbind
10-mer
5n1y
RCSB PDB
PDBbind
10-mer
5nx2
RCSB PDB
PDBbind
10-mer
5t6z
RCSB PDB
PDBbind
10-mer
5t70
RCSB PDB
PDBbind
10-mer
5t8r
RCSB PDB
PDBbind
10-mer
5vnb
RCSB PDB
PDBbind
10-mer
5w7i
RCSB PDB
PDBbind
10-mer
5w7j
RCSB PDB
PDBbind
10-mer
5wkf
RCSB PDB
PDBbind
10-mer
5wkh
RCSB PDB
PDBbind
10-mer
6ar2
RCSB PDB
PDBbind
10-mer
6buu
RCSB PDB
PDBbind
10-mer
6fkp
RCSB PDB
PDBbind
10-mer
6mim
RCSB PDB
PDBbind
10-mer
6qtx
RCSB PDB
PDBbind
10-mer
6pek
RCSB PDB
PDBbind
10-mer
6iiw
RCSB PDB
PDBbind
10-mer
6hzx
RCSB PDB
PDBbind
10-mer
6hoi
RCSB PDB
PDBbind
10-mer
6dkp
RCSB PDB
PDBbind
10-mer
6a8n
RCSB PDB
PDBbind
10-mer
5zys
RCSB PDB
PDBbind
10-mer
Entry Information
PDB ID
4k75
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
CFTR Associated Ligand (CAL) PDZ domain
Ligand Name
10-mer
EC.Number
E.C.-.-.-.-
Resolution
1.5(Å)
Affinity (Kd/Ki/IC50)
Ki=56.2uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Structure Vol. 22: pp. 82-93
Ligand Properties
Formula
C
4
2
H
7
0
N
1
5
O
1
2
Molecular Weight
977.098
Exact Mass
976.533
No. of atoms
139
No. of bonds
140
Polar Surface Area
487.97
LOGP Value
0.01 (
Computed with XLOGP3
)
-3.40 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 10
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 36
No. of Nitrogen and Oxygen Atoms: 27
No. of Rings: 2
Canonical SMILES
NC(=O)CC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)CCC[NH+]=C(N)N)[C@H](O)C)CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CCC[NH+]=C(N)N)[NH3+]
InChI String
InChI=1S/C42H67N15O12/c1-20(2)16-30(40(68)69)56-35(63)26(11-7-15-50-42(47)48)53-39(67)33(21(3)58)57-38(66)29(18-32(60)61)55-36(64)27(12-13-31(44)59)52-37(65)28(17-22-19-51-25-10-5-4-8-23(22)25)54-34(62)24(43)9-6-14-49-41(45)46/h4-5,8,10,19-21,24,26-30,33,51,58H,6-7,9,11-18,43H2,1-3H3,(H2,44,59)(H,52,65)(H,53,67)(H,54,62)(H,55,64)(H,56,63)(H,57,66)(H,60,61)(H,68,69)(H4,45,46,49)(H4,47,48,50)/p+3/t21-,24+,26+,27+,28+,29+,30+,33+/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):
Q9HD26
Entrez Gene ID
NCBI Entrez Gene ID:
57120
ASD
Information of known allosteric effects of PDB entries
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