Browse entries in the PDBbind-CN Database
HEADER 4JOF_COMPLEX COMPND 4JOF_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 87 GLY PRO ILE ARG LYS VAL LEU LEU LEU LYS GLU ASP HIS SEQRES 2 A 87 GLU GLY LEU GLY ILE SER ILE THR GLY GLY LYS GLU HIS SEQRES 3 A 87 GLY VAL PRO ILE LEU ILE SER GLU ILE HIS PRO GLY GLN SEQRES 4 A 87 PRO ALA ASP ARG CYS GLY GLY LEU HIS VAL GLY ASP ALA SEQRES 5 A 87 ILE LEU ALA VAL ASN GLY VAL ASN LEU ARG ASP THR LYS SEQRES 6 A 87 HIS LYS GLU ALA VAL THR ILE LEU SER GLN GLN ARG GLY SEQRES 7 A 87 GLU ILE GLU PHE GLU VAL VAL TYR VAL HET ARG A 210 123 ATOM 1 N GLY A 284 7.343 18.893 -1.891 1.00 11.37 N ATOM 2 CA GLY A 284 6.353 17.888 -2.227 1.00 10.97 C ATOM 3 C GLY A 284 4.954 18.455 -2.107 1.00 9.59 C ATOM 4 O GLY A 284 4.791 19.661 -1.902 1.00 8.51 O ATOM 5 HN3 GLY A 284 7.192 19.213 -0.913 1.00 0.00 H ATOM 6 HN2 GLY A 284 7.250 19.700 -2.540 1.00 0.00 H ATOM 7 HN1 GLY A 284 8.295 18.483 -1.980 1.00 0.00 H ATOM 8 N PRO A 285 3.936 17.593 -2.224 1.00 8.37 N ATOM 9 CA PRO A 285 2.558 18.065 -2.097 1.00 9.08 C ATOM 10 C PRO A 285 2.234 18.383 -0.654 1.00 9.48 C ATOM 11 O PRO A 285 2.755 17.754 0.274 1.00 9.01 O ATOM 12 CB PRO A 285 1.735 16.855 -2.541 1.00 11.08 C ATOM 13 CG PRO A 285 2.587 15.678 -2.183 1.00 12.25 C ATOM 14 CD PRO A 285 4.010 16.131 -2.416 1.00 11.03 C ATOM 15 N ILE A 286 1.365 19.359 -0.456 1.00 8.21 N ATOM 16 CA ILE A 286 0.836 19.607 0.872 1.00 8.69 C ATOM 17 C ILE A 286 -0.066 18.430 1.240 1.00 8.71 C ATOM 18 O ILE A 286 -0.868 17.966 0.417 1.00 10.34 O ATOM 19 CB ILE A 286 0.075 20.941 0.925 1.00 9.96 C ATOM 20 CG1 ILE A 286 1.030 22.087 0.567 1.00 10.80 C ATOM 21 CG2 ILE A 286 -0.562 21.148 2.295 1.00 10.38 C ATOM 22 CD1 ILE A 286 0.388 23.454 0.525 1.00 12.22 C ATOM 23 H ILE A 286 1.059 19.951 -1.255 1.00 0.00 H ATOM 24 N ARG A 287 0.081 17.938 2.472 1.00 7.71 N ATOM 25 CA ARG A 287 -0.691 16.800 2.979 1.00 7.68 C ATOM 26 C ARG A 287 -1.462 17.195 4.230 1.00 7.28 C ATOM 27 O ARG A 287 -0.991 18.002 5.036 1.00 8.81 O ATOM 28 CB ARG A 287 0.233 15.639 3.372 1.00 9.19 C ATOM 29 CG ARG A 287 0.914 14.952 2.212 1.00 17.47 C ATOM 30 CD ARG A 287 2.402 14.844 2.456 1.00 13.73 C ATOM 31 NE ARG A 287 2.723 14.233 3.748 1.00 8.68 N ATOM 32 CZ ARG A 287 3.824 14.523 4.434 1.00 8.39 C ATOM 33 NH1 ARG A 287 4.668 15.432 3.966 1.00 9.14 N ATOM 34 NH2 ARG A 287 4.064 13.945 5.607 1.00 7.68 N ATOM 35 HE ARG A 287 2.058 13.540 4.147 1.00 0.00 H ATOM 36 HH12 ARG A 287 5.531 15.663 4.498 1.00 0.00 H ATOM 37 HH11 ARG A 287 4.467 15.914 3.067 1.00 0.00 H ATOM 38 HH22 ARG A 287 4.929 14.180 6.135 1.00 0.00 H ATOM 39 HH21 ARG A 287 3.387 13.258 5.997 1.00 0.00 H ATOM 40 H ARG A 287 0.777 18.384 3.103 1.00 0.00 H ATOM 41 N LYS A 288 -2.640 16.604 4.409 1.00 7.38 N ATOM 42 CA LYS A 288 -3.340 16.668 5.684 1.00 7.52 C ATOM 43 C LYS A 288 -3.202 15.310 6.357 1.00 6.55 C ATOM 44 O LYS A 288 -3.441 14.271 5.729 1.00 9.10 O ATOM 45 CB LYS A 288 -4.806 17.052 5.500 1.00 11.95 C ATOM 46 CG LYS A 288 -4.993 18.459 4.952 1.00 21.30 C ATOM 47 CD LYS A 288 -6.445 18.899 5.004 1.00 28.71 C ATOM 48 CE LYS A 288 -6.576 20.381 4.689 1.00 36.89 C ATOM 49 NZ LYS A 288 -7.988 20.843 4.780 1.00 41.45 N ATOM 50 HZ1 LYS A 288 -8.570 20.312 4.101 1.00 0.00 H ATOM 51 HZ2 LYS A 288 -8.343 20.681 5.744 1.00 0.00 H ATOM 52 HZ3 LYS A 288 -8.034 21.858 4.558 1.00 0.00 H ATOM 53 H LYS A 288 -3.072 16.083 3.619 1.00 0.00 H ATOM 54 N VAL A 289 -2.823 15.314 7.628 1.00 5.14 N ATOM 55 CA VAL A 289 -2.504 14.092 8.365 1.00 5.45 C ATOM 56 C VAL A 289 -3.216 14.122 9.711 1.00 4.71 C ATOM 57 O VAL A 289 -3.182 15.149 10.411 1.00 6.36 O ATOM 58 CB VAL A 289 -0.978 14.001 8.607 1.00 5.84 C ATOM 59 CG1 VAL A 289 -0.626 12.824 9.514 1.00 7.90 C ATOM 60 CG2 VAL A 289 -0.214 13.917 7.284 1.00 8.39 C ATOM 61 H VAL A 289 -2.749 16.226 8.122 1.00 0.00 H ATOM 62 N LEU A 290 -3.856 13.021 10.088 1.00 4.41 N ATOM 63 CA LEU A 290 -4.541 12.933 11.369 1.00 4.55 C ATOM 64 C LEU A 290 -3.660 12.249 12.403 1.00 4.95 C ATOM 65 O LEU A 290 -3.071 11.198 12.128 1.00 4.99 O ATOM 66 CB LEU A 290 -5.827 12.131 11.206 1.00 5.52 C ATOM 67 CG LEU A 290 -6.684 11.953 12.456 1.00 6.13 C ATOM 68 CD1 LEU A 290 -7.205 13.301 12.953 1.00 9.15 C ATOM 69 CD2 LEU A 290 -7.836 11.008 12.142 1.00 7.44 C ATOM 70 H LEU A 290 -3.868 12.199 9.450 1.00 0.00 H ATOM 71 N LEU A 291 -3.607 12.811 13.602 1.00 4.83 N ATOM 72 CA LEU A 291 -2.865 12.240 14.721 1.00 4.81 C ATOM 73 C LEU A 291 -3.814 12.066 15.900 1.00 5.01 C ATOM 74 O LEU A 291 -4.620 12.960 16.179 1.00 5.62 O ATOM 75 CB LEU A 291 -1.698 13.166 15.077 1.00 5.10 C ATOM 76 CG LEU A 291 -0.797 12.798 16.259 1.00 5.00 C ATOM 77 CD1 LEU A 291 0.609 13.328 16.039 1.00 6.53 C ATOM 78 CD2 LEU A 291 -1.372 13.299 17.576 1.00 5.87 C ATOM 79 H LEU A 291 -4.120 13.703 13.753 1.00 0.00 H ATOM 80 N LEU A 292 -3.740 10.909 16.560 1.00 4.40 N ATOM 81 CA LEU A 292 -4.529 10.641 17.754 1.00 4.89 C ATOM 82 C LEU A 292 -3.607 10.586 18.955 1.00 6.09 C ATOM 83 O LEU A 292 -2.677 9.792 18.991 1.00 6.25 O ATOM 84 CB LEU A 292 -5.309 9.331 17.626 1.00 5.91 C ATOM 85 CG LEU A 292 -6.729 9.428 17.057 1.00 6.84 C ATOM 86 CD1 LEU A 292 -6.773 10.140 15.719 1.00 7.42 C ATOM 87 CD2 LEU A 292 -7.353 8.041 16.941 1.00 7.53 C ATOM 88 H LEU A 292 -3.096 10.172 16.209 1.00 0.00 H ATOM 89 N LYS A 293 -3.883 11.442 19.933 1.00 7.94 N ATOM 90 CA LYS A 293 -3.048 11.619 21.122 1.00 15.95 C ATOM 91 C LYS A 293 -3.913 11.361 22.346 1.00 11.11 C ATOM 92 O LYS A 293 -5.058 11.816 22.406 1.00 9.85 O ATOM 93 CB LYS A 293 -2.496 13.064 21.188 1.00 17.89 C ATOM 94 CG LYS A 293 -1.382 13.275 22.234 1.00 18.20 C ATOM 95 CD LYS A 293 -0.822 14.699 22.269 1.00 13.35 C ATOM 96 CE LYS A 293 -1.685 15.638 23.084 1.00 10.99 C ATOM 97 NZ LYS A 293 -1.857 15.083 24.435 1.00 11.08 N ATOM 98 HZ1 LYS A 293 -2.316 14.152 24.370 1.00 0.00 H ATOM 99 HZ2 LYS A 293 -0.926 14.981 24.888 1.00 0.00 H ATOM 100 HZ3 LYS A 293 -2.450 15.725 24.999 1.00 0.00 H ATOM 101 H LYS A 293 -4.743 12.020 19.849 1.00 0.00 H ATOM 102 N GLU A 294 -3.366 10.648 23.326 1.00 11.23 N ATOM 103 CA GLU A 294 -4.016 10.536 24.610 1.00 11.63 C ATOM 104 C GLU A 294 -3.540 11.687 25.516 1.00 8.53 C ATOM 105 O GLU A 294 -2.509 12.319 25.276 1.00 6.78 O ATOM 106 CB GLU A 294 -3.751 9.154 25.224 1.00 10.46 C ATOM 107 CG GLU A 294 -4.080 7.955 24.308 1.00 14.54 C ATOM 108 CD GLU A 294 -5.534 7.908 23.831 1.00 14.07 C ATOM 109 OE1 GLU A 294 -6.391 8.635 24.388 1.00 14.07 O ATOM 110 OE2 GLU A 294 -5.818 7.129 22.887 1.00 14.48 O ATOM 111 H GLU A 294 -2.459 10.165 23.166 1.00 0.00 H ATOM 112 N ASP A 295 -4.290 11.971 26.567 1.00 11.02 N ATOM 113 CA ASP A 295 -4.022 13.172 27.346 1.00 10.27 C ATOM 114 C ASP A 295 -2.730 13.140 28.194 1.00 9.14 C ATOM 115 O ASP A 295 -2.214 14.181 28.605 1.00 10.60 O ATOM 116 CB ASP A 295 -5.235 13.487 28.221 1.00 15.19 C ATOM 117 CG ASP A 295 -6.282 14.317 27.495 1.00 25.19 C ATOM 118 OD1 ASP A 295 -6.314 14.296 26.241 1.00 16.33 O ATOM 119 OD2 ASP A 295 -7.070 15.002 28.185 1.00 30.72 O ATOM 120 H ASP A 295 -5.070 11.338 26.837 1.00 0.00 H ATOM 121 N HIS A 296 -2.213 11.944 28.432 1.00 6.89 N ATOM 122 CA HIS A 296 -1.030 11.755 29.253 1.00 5.14 C ATOM 123 C HIS A 296 0.247 11.820 28.435 1.00 5.03 C ATOM 124 O HIS A 296 1.338 11.665 28.975 1.00 6.69 O ATOM 125 CB HIS A 296 -1.100 10.391 29.937 1.00 6.44 C ATOM 126 CG HIS A 296 -0.921 9.247 28.991 1.00 6.65 C ATOM 127 ND1 HIS A 296 -1.838 8.953 28.005 1.00 9.25 N ATOM 128 CD2 HIS A 296 0.088 8.355 28.851 1.00 7.97 C ATOM 129 CE1 HIS A 296 -1.405 7.916 27.308 1.00 10.09 C ATOM 130 NE2 HIS A 296 -0.242 7.534 27.802 1.00 9.05 N ATOM 131 H HIS A 296 -2.671 11.109 28.015 1.00 0.00 H ATOM 132 N GLU A 297 0.135 12.016 27.129 1.00 5.28 N ATOM 133 CA GLU A 297 1.328 11.967 26.276 1.00 6.39 C ATOM 134 C GLU A 297 1.530 13.288 25.542 1.00 5.68 C ATOM 135 O GLU A 297 0.634 14.140 25.497 1.00 6.08 O ATOM 136 CB GLU A 297 1.325 10.749 25.336 1.00 17.90 C ATOM 137 CG GLU A 297 0.143 10.678 24.415 1.00 17.99 C ATOM 138 CD GLU A 297 -0.136 9.256 23.870 1.00 13.37 C ATOM 139 OE1 GLU A 297 0.727 8.354 23.930 1.00 11.58 O ATOM 140 OE2 GLU A 297 -1.245 9.094 23.382 1.00 11.67 O ATOM 141 H GLU A 297 -0.798 12.204 26.709 1.00 0.00 H ATOM 142 N GLY A 298 2.742 13.471 25.036 1.00 5.60 N ATOM 143 CA GLY A 298 3.028 14.565 24.133 1.00 5.68 C ATOM 144 C GLY A 298 2.784 14.132 22.696 1.00 4.30 C ATOM 145 O GLY A 298 2.247 13.036 22.442 1.00 5.65 O ATOM 146 H GLY A 298 3.505 12.813 25.294 1.00 0.00 H ATOM 147 N LEU A 299 3.178 14.980 21.755 1.00 4.59 N ATOM 148 CA LEU A 299 3.020 14.652 20.348 1.00 4.70 C ATOM 149 C LEU A 299 4.018 13.603 19.888 1.00 4.10 C ATOM 150 O LEU A 299 3.727 12.864 18.941 1.00 6.05 O ATOM 151 CB LEU A 299 3.163 15.909 19.491 1.00 4.74 C ATOM 152 CG LEU A 299 2.031 16.930 19.619 1.00 5.77 C ATOM 153 CD1 LEU A 299 2.427 18.283 19.023 1.00 7.31 C ATOM 154 CD2 LEU A 299 0.746 16.413 19.012 1.00 7.07 C ATOM 155 H LEU A 299 3.604 15.889 22.027 1.00 0.00 H ATOM 156 N GLY A 300 5.202 13.561 20.493 1.00 4.18 N ATOM 157 CA GLY A 300 6.239 12.642 20.060 1.00 5.91 C ATOM 158 C GLY A 300 7.057 13.158 18.894 1.00 5.42 C ATOM 159 O GLY A 300 7.502 12.373 18.048 1.00 5.77 O ATOM 160 H GLY A 300 5.389 14.200 21.292 1.00 0.00 H ATOM 161 N ILE A 301 7.263 14.470 18.843 1.00 4.83 N ATOM 162 CA ILE A 301 8.149 15.049 17.838 1.00 6.05 C ATOM 163 C ILE A 301 9.122 16.019 18.467 1.00 4.91 C ATOM 164 O ILE A 301 8.891 16.524 19.568 1.00 6.35 O ATOM 165 CB ILE A 301 7.394 15.760 16.705 1.00 7.41 C ATOM 166 CG1 ILE A 301 6.638 16.980 17.209 1.00 8.04 C ATOM 167 CG2 ILE A 301 6.450 14.793 16.019 1.00 8.65 C ATOM 168 CD1 ILE A 301 5.861 17.691 16.114 1.00 8.23 C ATOM 169 H ILE A 301 6.787 15.092 19.528 1.00 0.00 H ATOM 170 N SER A 302 10.233 16.248 17.785 1.00 5.53 N ATOM 171 CA SER A 302 11.042 17.426 18.044 1.00 5.39 C ATOM 172 C SER A 302 10.865 18.378 16.881 1.00 4.92 C ATOM 173 O SER A 302 10.810 17.951 15.718 1.00 5.41 O ATOM 174 CB SER A 302 12.511 17.061 18.222 1.00 8.51 C ATOM 175 OG SER A 302 12.673 16.213 19.344 1.00 8.78 O ATOM 176 HG SER A 302 12.147 15.385 19.209 1.00 0.00 H ATOM 177 H SER A 302 10.531 15.573 17.052 1.00 0.00 H ATOM 178 N ILE A 303 10.780 19.673 17.196 1.00 4.37 N ATOM 179 CA ILE A 303 10.704 20.703 16.169 1.00 6.04 C ATOM 180 C ILE A 303 11.875 21.661 16.256 1.00 5.35 C ATOM 181 O ILE A 303 12.411 21.933 17.342 1.00 6.01 O ATOM 182 CB ILE A 303 9.372 21.500 16.202 1.00 6.99 C ATOM 183 CG1 ILE A 303 9.147 22.168 17.562 1.00 6.50 C ATOM 184 CG2 ILE A 303 8.203 20.599 15.808 1.00 6.76 C ATOM 185 CD1 ILE A 303 8.078 23.255 17.532 1.00 7.56 C ATOM 186 H ILE A 303 10.768 19.952 18.198 1.00 0.00 H ATOM 187 N THR A 304 12.289 22.128 15.080 1.00 4.95 N ATOM 188 CA THR A 304 13.289 23.180 14.929 1.00 7.40 C ATOM 189 C THR A 304 12.677 24.366 14.195 1.00 4.04 C ATOM 190 O THR A 304 11.557 24.293 13.693 1.00 5.49 O ATOM 191 CB THR A 304 14.532 22.692 14.126 1.00 7.73 C ATOM 192 OG1 THR A 304 14.140 22.247 12.819 1.00 11.18 O ATOM 193 CG2 THR A 304 15.237 21.556 14.849 1.00 8.70 C ATOM 194 HG1 THR A 304 13.714 22.995 12.331 1.00 0.00 H ATOM 195 H THR A 304 11.875 21.719 14.218 1.00 0.00 H ATOM 196 N GLY A 305 13.419 25.464 14.142 1.00 6.62 N ATOM 197 CA GLY A 305 13.069 26.556 13.263 1.00 7.91 C ATOM 198 C GLY A 305 12.100 27.546 13.863 1.00 5.67 C ATOM 199 O GLY A 305 11.903 27.599 15.076 1.00 7.43 O ATOM 200 H GLY A 305 14.265 25.540 14.742 1.00 0.00 H ATOM 201 N GLY A 306 11.511 28.356 12.998 1.00 6.23 N ATOM 202 CA GLY A 306 10.648 29.442 13.427 1.00 8.43 C ATOM 203 C GLY A 306 10.978 30.730 12.694 1.00 6.38 C ATOM 204 O GLY A 306 12.093 30.920 12.193 1.00 6.82 O ATOM 205 H GLY A 306 11.671 28.210 11.981 1.00 0.00 H ATOM 206 N LYS A 307 10.008 31.635 12.651 1.00 7.71 N ATOM 207 CA LYS A 307 10.119 32.843 11.847 1.00 8.75 C ATOM 208 C LYS A 307 11.332 33.694 12.204 1.00 8.53 C ATOM 209 O LYS A 307 11.937 34.317 11.323 1.00 9.52 O ATOM 210 CB LYS A 307 8.836 33.672 11.942 1.00 13.23 C ATOM 211 CG LYS A 307 8.867 34.920 11.068 1.00 13.96 C ATOM 212 CD LYS A 307 7.488 35.536 10.900 1.00 21.49 C ATOM 213 CE LYS A 307 7.546 36.806 10.057 1.00 21.16 C ATOM 214 NZ LYS A 307 8.423 37.840 10.674 1.00 23.17 N ATOM 215 HZ1 LYS A 307 8.055 38.088 11.615 1.00 0.00 H ATOM 216 HZ2 LYS A 307 9.388 37.464 10.766 1.00 0.00 H ATOM 217 HZ3 LYS A 307 8.436 38.687 10.071 1.00 0.00 H ATOM 218 H LYS A 307 9.144 31.476 13.208 1.00 0.00 H ATOM 219 N GLU A 308 11.687 33.725 13.485 1.00 8.18 N ATOM 220 CA GLU A 308 12.821 34.536 13.915 1.00 10.17 C ATOM 221 C GLU A 308 14.138 34.011 13.334 1.00 10.23 C ATOM 222 O GLU A 308 15.145 34.735 13.326 1.00 12.31 O ATOM 223 CB GLU A 308 12.892 34.631 15.443 1.00 11.58 C ATOM 224 CG GLU A 308 13.357 33.346 16.153 1.00 10.08 C ATOM 225 CD GLU A 308 12.232 32.386 16.536 1.00 10.13 C ATOM 226 OE1 GLU A 308 11.319 32.127 15.725 1.00 8.57 O ATOM 227 OE2 GLU A 308 12.278 31.868 17.673 1.00 12.56 O ATOM 228 H GLU A 308 11.154 33.169 14.184 1.00 0.00 H ATOM 229 N HIS A 309 14.122 32.777 12.830 1.00 8.49 N ATOM 230 CA HIS A 309 15.293 32.165 12.191 1.00 9.11 C ATOM 231 C HIS A 309 15.177 32.105 10.673 1.00 10.70 C ATOM 232 O HIS A 309 16.059 31.571 9.998 1.00 12.24 O ATOM 233 CB HIS A 309 15.502 30.753 12.731 1.00 10.16 C ATOM 234 CG HIS A 309 15.614 30.707 14.216 1.00 8.96 C ATOM 235 ND1 HIS A 309 16.676 31.263 14.890 1.00 11.27 N ATOM 236 CD2 HIS A 309 14.783 30.211 15.162 1.00 11.85 C ATOM 237 CE1 HIS A 309 16.504 31.102 16.189 1.00 11.75 C ATOM 238 NE2 HIS A 309 15.360 30.469 16.381 1.00 13.11 N ATOM 239 H HIS A 309 13.243 32.225 12.892 1.00 0.00 H ATOM 240 N GLY A 310 14.075 32.621 10.147 1.00 9.26 N ATOM 241 CA GLY A 310 13.844 32.617 8.714 1.00 12.78 C ATOM 242 C GLY A 310 13.621 31.233 8.126 1.00 13.36 C ATOM 243 O GLY A 310 13.821 31.020 6.930 1.00 16.45 O ATOM 244 H GLY A 310 13.359 33.038 10.776 1.00 0.00 H ATOM 245 N VAL A 311 13.190 30.287 8.951 1.00 11.75 N ATOM 246 CA VAL A 311 12.888 28.944 8.458 1.00 14.81 C ATOM 247 C VAL A 311 11.592 28.428 9.079 1.00 11.71 C ATOM 248 O VAL A 311 11.198 28.875 10.148 1.00 10.37 O ATOM 249 CB VAL A 311 14.049 27.965 8.708 1.00 20.42 C ATOM 250 CG1 VAL A 311 15.270 28.362 7.884 1.00 26.56 C ATOM 251 CG2 VAL A 311 14.391 27.929 10.171 1.00 16.05 C ATOM 252 H VAL A 311 13.066 30.504 9.961 1.00 0.00 H ATOM 253 N PRO A 312 10.912 27.492 8.400 1.00 8.96 N ATOM 254 CA PRO A 312 9.633 27.000 8.923 1.00 10.68 C ATOM 255 C PRO A 312 9.809 26.167 10.182 1.00 7.08 C ATOM 256 O PRO A 312 10.922 25.789 10.543 1.00 9.41 O ATOM 257 CB PRO A 312 9.096 26.131 7.776 1.00 9.90 C ATOM 258 CG PRO A 312 10.309 25.747 6.996 1.00 14.32 C ATOM 259 CD PRO A 312 11.234 26.917 7.081 1.00 11.74 C ATOM 260 N ILE A 313 8.694 25.901 10.842 1.00 9.11 N ATOM 261 CA ILE A 313 8.669 24.920 11.905 1.00 6.51 C ATOM 262 C ILE A 313 8.866 23.565 11.222 1.00 7.76 C ATOM 263 O ILE A 313 8.031 23.136 10.410 1.00 9.61 O ATOM 264 CB ILE A 313 7.327 24.968 12.649 1.00 8.38 C ATOM 265 CG1 ILE A 313 7.099 26.363 13.255 1.00 8.17 C ATOM 266 CG2 ILE A 313 7.255 23.867 13.708 1.00 8.34 C ATOM 267 CD1 ILE A 313 8.181 26.805 14.235 1.00 9.09 C ATOM 268 H ILE A 313 7.820 26.406 10.592 1.00 0.00 H ATOM 269 N LEU A 314 9.992 22.918 11.507 1.00 7.81 N ATOM 270 CA LEU A 314 10.338 21.649 10.886 1.00 7.58 C ATOM 271 C LEU A 314 10.371 20.522 11.897 1.00 5.83 C ATOM 272 O LEU A 314 10.868 20.679 13.012 1.00 6.51 O ATOM 273 CB LEU A 314 11.719 21.742 10.246 1.00 10.65 C ATOM 274 CG LEU A 314 11.865 22.563 8.970 1.00 12.79 C ATOM 275 CD1 LEU A 314 13.331 22.640 8.598 1.00 20.52 C ATOM 276 CD2 LEU A 314 11.065 21.932 7.844 1.00 12.53 C ATOM 277 H LEU A 314 10.648 23.334 12.198 1.00 0.00 H ATOM 278 N ILE A 315 9.867 19.362 11.500 1.00 6.31 N ATOM 279 CA ILE A 315 10.011 18.176 12.331 1.00 6.45 C ATOM 280 C ILE A 315 11.429 17.656 12.189 1.00 6.20 C ATOM 281 O ILE A 315 11.853 17.276 11.094 1.00 8.50 O ATOM 282 CB ILE A 315 9.014 17.078 11.929 1.00 5.75 C ATOM 283 CG1 ILE A 315 7.577 17.577 12.115 1.00 7.99 C ATOM 284 CG2 ILE A 315 9.290 15.788 12.704 1.00 7.30 C ATOM 285 CD1 ILE A 315 6.525 16.545 11.783 1.00 6.46 C ATOM 286 H ILE A 315 9.366 19.299 10.591 1.00 0.00 H ATOM 287 N SER A 316 12.171 17.653 13.285 1.00 6.52 N ATOM 288 CA SER A 316 13.541 17.154 13.254 1.00 8.16 C ATOM 289 C SER A 316 13.682 15.753 13.853 1.00 6.92 C ATOM 290 O SER A 316 14.680 15.083 13.599 1.00 8.94 O ATOM 291 CB SER A 316 14.485 18.125 13.958 1.00 9.41 C ATOM 292 OG SER A 316 14.143 18.223 15.323 1.00 9.31 O ATOM 293 HG SER A 316 14.760 18.854 15.772 1.00 0.00 H ATOM 294 H SER A 316 11.773 18.010 14.177 1.00 0.00 H ATOM 295 N GLU A 317 12.694 15.335 14.643 1.00 6.32 N ATOM 296 CA GLU A 317 12.656 13.990 15.211 1.00 7.54 C ATOM 297 C GLU A 317 11.235 13.462 15.210 1.00 6.54 C ATOM 298 O GLU A 317 10.278 14.214 15.415 1.00 7.36 O ATOM 299 CB GLU A 317 13.145 13.973 16.663 1.00 7.55 C ATOM 300 CG GLU A 317 14.485 14.610 16.902 1.00 9.46 C ATOM 301 CD GLU A 317 15.602 13.892 16.193 1.00 13.04 C ATOM 302 OE1 GLU A 317 15.457 12.681 15.904 1.00 13.93 O ATOM 303 OE2 GLU A 317 16.624 14.553 15.925 1.00 17.42 O ATOM 304 H GLU A 317 11.919 15.993 14.864 1.00 0.00 H ATOM 305 N ILE A 318 11.110 12.160 14.989 1.00 6.52 N ATOM 306 CA ILE A 318 9.873 11.452 15.278 1.00 7.21 C ATOM 307 C ILE A 318 10.246 10.401 16.322 1.00 7.87 C ATOM 308 O ILE A 318 11.013 9.477 16.034 1.00 8.90 O ATOM 309 CB ILE A 318 9.301 10.750 14.029 1.00 7.48 C ATOM 310 CG1 ILE A 318 8.850 11.778 12.971 1.00 9.71 C ATOM 311 CG2 ILE A 318 8.162 9.805 14.424 1.00 9.22 C ATOM 312 CD1 ILE A 318 7.566 12.520 13.314 1.00 9.89 C ATOM 313 H ILE A 318 11.917 11.632 14.599 1.00 0.00 H ATOM 314 N HIS A 319 9.736 10.538 17.535 1.00 5.64 N ATOM 315 CA HIS A 319 10.140 9.646 18.608 1.00 7.59 C ATOM 316 C HIS A 319 9.418 8.306 18.531 1.00 5.46 C ATOM 317 O HIS A 319 8.195 8.249 18.406 1.00 6.31 O ATOM 318 CB HIS A 319 9.989 10.356 19.944 1.00 8.07 C ATOM 319 CG HIS A 319 10.738 11.652 19.985 1.00 10.64 C ATOM 320 ND1 HIS A 319 12.110 11.721 19.863 1.00 13.92 N ATOM 321 CD2 HIS A 319 10.303 12.932 20.070 1.00 11.26 C ATOM 322 CE1 HIS A 319 12.489 12.987 19.907 1.00 12.25 C ATOM 323 NE2 HIS A 319 11.411 13.740 20.032 1.00 12.58 N ATOM 324 H HIS A 319 9.041 11.289 17.722 1.00 0.00 H ATOM 325 N PRO A 320 10.186 7.210 18.577 1.00 7.23 N ATOM 326 CA PRO A 320 9.582 5.894 18.328 1.00 7.28 C ATOM 327 C PRO A 320 8.468 5.549 19.309 1.00 5.98 C ATOM 328 O PRO A 320 8.640 5.707 20.520 1.00 6.87 O ATOM 329 CB PRO A 320 10.768 4.926 18.466 1.00 8.96 C ATOM 330 CG PRO A 320 11.816 5.680 19.225 1.00 9.59 C ATOM 331 CD PRO A 320 11.636 7.121 18.832 1.00 8.24 C ATOM 332 N GLY A 321 7.332 5.094 18.785 1.00 6.38 N ATOM 333 CA GLY A 321 6.240 4.614 19.613 1.00 7.20 C ATOM 334 C GLY A 321 5.298 5.675 20.168 1.00 7.35 C ATOM 335 O GLY A 321 4.275 5.330 20.763 1.00 7.58 O ATOM 336 H GLY A 321 7.223 5.082 17.751 1.00 0.00 H ATOM 337 N GLN A 322 5.639 6.953 19.990 1.00 5.78 N ATOM 338 CA GLN A 322 4.809 8.057 20.482 1.00 4.78 C ATOM 339 C GLN A 322 3.769 8.434 19.402 1.00 4.06 C ATOM 340 O GLN A 322 3.767 7.840 18.326 1.00 3.85 O ATOM 341 CB GLN A 322 5.692 9.229 20.955 1.00 7.02 C ATOM 342 CG GLN A 322 6.573 8.871 22.172 1.00 8.51 C ATOM 343 CD GLN A 322 7.332 10.061 22.761 1.00 7.39 C ATOM 344 OE1 GLN A 322 8.558 10.037 22.862 1.00 9.10 O ATOM 345 NE2 GLN A 322 6.605 11.087 23.175 1.00 7.49 N ATOM 346 HE22 GLN A 322 5.570 11.067 23.071 1.00 0.00 H ATOM 347 HE21 GLN A 322 7.068 11.913 23.604 1.00 0.00 H ATOM 348 H GLN A 322 6.522 7.173 19.486 1.00 0.00 H ATOM 349 N PRO A 323 2.858 9.383 19.690 1.00 4.50 N ATOM 350 CA PRO A 323 1.719 9.557 18.770 1.00 4.35 C ATOM 351 C PRO A 323 2.044 9.897 17.319 1.00 5.44 C ATOM 352 O PRO A 323 1.364 9.395 16.414 1.00 4.81 O ATOM 353 CB PRO A 323 0.900 10.659 19.444 1.00 5.32 C ATOM 354 CG PRO A 323 1.162 10.430 20.905 1.00 6.12 C ATOM 355 CD PRO A 323 2.617 10.040 20.990 1.00 4.35 C ATOM 356 N ALA A 324 3.051 10.722 17.073 1.00 4.30 N ATOM 357 CA ALA A 324 3.368 11.072 15.699 1.00 4.71 C ATOM 358 C ALA A 324 3.864 9.864 14.919 1.00 4.12 C ATOM 359 O ALA A 324 3.503 9.689 13.753 1.00 5.23 O ATOM 360 CB ALA A 324 4.389 12.186 15.660 1.00 5.63 C ATOM 361 H ALA A 324 3.610 11.116 17.857 1.00 0.00 H ATOM 362 N ASP A 325 4.702 9.041 15.536 1.00 4.65 N ATOM 363 CA ASP A 325 5.155 7.812 14.911 1.00 5.40 C ATOM 364 C ASP A 325 3.944 6.920 14.621 1.00 4.70 C ATOM 365 O ASP A 325 3.790 6.389 13.513 1.00 5.49 O ATOM 366 CB ASP A 325 6.139 7.105 15.850 1.00 5.89 C ATOM 367 CG ASP A 325 6.777 5.870 15.237 1.00 6.98 C ATOM 368 OD1 ASP A 325 6.948 5.824 13.997 1.00 8.29 O ATOM 369 OD2 ASP A 325 7.118 4.949 16.013 1.00 8.17 O ATOM 370 H ASP A 325 5.042 9.282 16.489 1.00 0.00 H ATOM 371 N ARG A 326 3.075 6.767 15.613 1.00 5.22 N ATOM 372 CA ARG A 326 1.940 5.861 15.476 1.00 5.32 C ATOM 373 C ARG A 326 0.977 6.292 14.378 1.00 5.53 C ATOM 374 O ARG A 326 0.352 5.439 13.733 1.00 6.02 O ATOM 375 CB ARG A 326 1.194 5.709 16.801 1.00 5.65 C ATOM 376 CG ARG A 326 2.068 5.195 17.929 1.00 6.50 C ATOM 377 CD ARG A 326 1.287 4.715 19.139 1.00 7.32 C ATOM 378 NE ARG A 326 0.324 5.675 19.694 1.00 7.99 N ATOM 379 CZ ARG A 326 0.490 6.366 20.826 1.00 7.95 C ATOM 380 NH1 ARG A 326 1.636 6.318 21.495 1.00 8.62 N ATOM 381 NH2 ARG A 326 -0.501 7.136 21.257 1.00 8.85 N ATOM 382 HE ARG A 326 -0.557 5.829 19.164 1.00 0.00 H ATOM 383 HH12 ARG A 326 1.748 6.862 22.374 1.00 0.00 H ATOM 384 HH11 ARG A 326 2.422 5.736 21.140 1.00 0.00 H ATOM 385 HH22 ARG A 326 -0.391 7.682 22.136 1.00 0.00 H ATOM 386 HH21 ARG A 326 -1.387 7.194 20.716 1.00 0.00 H ATOM 387 H ARG A 326 3.205 7.299 16.497 1.00 0.00 H ATOM 388 N CYS A 327 0.840 7.597 14.149 1.00 5.56 N ATOM 389 CA CYS A 327 -0.153 8.034 13.171 1.00 5.58 C ATOM 390 C CYS A 327 0.263 7.692 11.745 1.00 5.76 C ATOM 391 O CYS A 327 -0.577 7.612 10.855 1.00 6.67 O ATOM 392 CB CYS A 327 -0.483 9.526 13.318 1.00 6.32 C ATOM 393 SG CYS A 327 0.592 10.707 12.435 1.00 6.11 S ATOM 394 H CYS A 327 1.427 8.290 14.656 1.00 0.00 H ATOM 395 N GLY A 328 1.563 7.510 11.522 1.00 5.60 N ATOM 396 CA GLY A 328 2.076 7.030 10.245 1.00 7.53 C ATOM 397 C GLY A 328 2.353 8.063 9.166 1.00 5.99 C ATOM 398 O GLY A 328 3.082 7.784 8.221 1.00 7.71 O ATOM 399 H GLY A 328 2.237 7.718 12.287 1.00 0.00 H ATOM 400 N GLY A 329 1.778 9.251 9.302 1.00 7.07 N ATOM 401 CA GLY A 329 1.842 10.236 8.238 1.00 7.69 C ATOM 402 C GLY A 329 2.762 11.421 8.448 1.00 7.20 C ATOM 403 O GLY A 329 2.807 12.300 7.589 1.00 7.99 O ATOM 404 H GLY A 329 1.275 9.479 10.183 1.00 0.00 H ATOM 405 N LEU A 330 3.488 11.463 9.563 1.00 7.19 N ATOM 406 CA LEU A 330 4.405 12.572 9.856 1.00 8.08 C ATOM 407 C LEU A 330 5.840 12.075 9.840 1.00 7.95 C ATOM 408 O LEU A 330 6.137 11.002 10.388 1.00 9.09 O ATOM 409 CB LEU A 330 4.112 13.180 11.222 1.00 7.38 C ATOM 410 CG LEU A 330 2.751 13.835 11.395 1.00 5.51 C ATOM 411 CD1 LEU A 330 2.601 14.299 12.834 1.00 8.72 C ATOM 412 CD2 LEU A 330 2.590 14.996 10.439 1.00 7.56 C ATOM 413 H LEU A 330 3.403 10.686 10.249 1.00 0.00 H ATOM 414 N HIS A 331 6.739 12.857 9.249 1.00 7.36 N ATOM 415 CA HIS A 331 8.112 12.398 9.052 1.00 9.21 C ATOM 416 C HIS A 331 9.140 13.497 9.257 1.00 7.52 C ATOM 417 O HIS A 331 8.848 14.687 9.087 1.00 6.94 O ATOM 418 CB HIS A 331 8.257 11.801 7.658 1.00 9.03 C ATOM 419 CG HIS A 331 7.196 10.800 7.337 1.00 10.09 C ATOM 420 ND1 HIS A 331 7.151 9.551 7.920 1.00 11.44 N ATOM 421 CD2 HIS A 331 6.118 10.876 6.522 1.00 8.65 C ATOM 422 CE1 HIS A 331 6.098 8.896 7.466 1.00 11.92 C ATOM 423 NE2 HIS A 331 5.454 9.676 6.616 1.00 11.79 N ATOM 424 H HIS A 331 6.462 13.805 8.924 1.00 0.00 H ATOM 425 N VAL A 332 10.356 13.094 9.612 1.00 7.28 N ATOM 426 CA VAL A 332 11.460 14.039 9.718 1.00 8.27 C ATOM 427 C VAL A 332 11.625 14.788 8.403 1.00 8.08 C ATOM 428 O VAL A 332 11.602 14.198 7.326 1.00 8.84 O ATOM 429 CB VAL A 332 12.773 13.336 10.113 1.00 8.96 C ATOM 430 CG1 VAL A 332 13.954 14.291 9.997 1.00 11.97 C ATOM 431 CG2 VAL A 332 12.661 12.785 11.527 1.00 10.66 C ATOM 432 H VAL A 332 10.522 12.088 9.817 1.00 0.00 H ATOM 433 N GLY A 333 11.757 16.102 8.496 1.00 7.71 N ATOM 434 CA GLY A 333 11.883 16.931 7.314 1.00 10.48 C ATOM 435 C GLY A 333 10.583 17.595 6.908 1.00 7.98 C ATOM 436 O GLY A 333 10.598 18.529 6.104 1.00 9.93 O ATOM 437 H GLY A 333 11.771 16.548 9.435 1.00 0.00 H ATOM 438 N ASP A 334 9.455 17.137 7.444 1.00 7.84 N ATOM 439 CA ASP A 334 8.185 17.804 7.184 1.00 7.59 C ATOM 440 C ASP A 334 8.168 19.193 7.814 1.00 7.03 C ATOM 441 O ASP A 334 8.571 19.367 8.974 1.00 8.19 O ATOM 442 CB ASP A 334 7.005 17.020 7.758 1.00 6.82 C ATOM 443 CG ASP A 334 6.596 15.833 6.906 1.00 7.88 C ATOM 444 OD1 ASP A 334 6.917 15.793 5.697 1.00 8.27 O ATOM 445 OD2 ASP A 334 5.923 14.932 7.462 1.00 7.15 O ATOM 446 H ASP A 334 9.479 16.295 8.054 1.00 0.00 H ATOM 447 N ALA A 335 7.692 20.172 7.054 1.00 6.98 N ATOM 448 CA ALA A 335 7.374 21.492 7.594 1.00 7.15 C ATOM 449 C ALA A 335 5.924 21.468 8.050 1.00 7.55 C ATOM 450 O ALA A 335 5.044 20.967 7.338 1.00 7.54 O ATOM 451 CB ALA A 335 7.590 22.581 6.541 1.00 8.08 C ATOM 452 H ALA A 335 7.540 19.993 6.041 1.00 0.00 H ATOM 453 N ILE A 336 5.679 21.956 9.260 1.00 7.32 N ATOM 454 CA ILE A 336 4.313 22.049 9.765 1.00 7.26 C ATOM 455 C ILE A 336 3.718 23.392 9.371 1.00 7.28 C ATOM 456 O ILE A 336 4.127 24.447 9.872 1.00 8.35 O ATOM 457 CB ILE A 336 4.203 21.851 11.293 1.00 6.18 C ATOM 458 CG1 ILE A 336 4.951 20.587 11.715 1.00 7.18 C ATOM 459 CG2 ILE A 336 2.726 21.792 11.675 1.00 7.24 C ATOM 460 CD1 ILE A 336 5.000 20.362 13.227 1.00 7.78 C ATOM 461 H ILE A 336 6.470 22.276 9.855 1.00 0.00 H ATOM 462 N LEU A 337 2.768 23.347 8.445 1.00 7.28 N ATOM 463 CA LEU A 337 2.150 24.552 7.913 1.00 8.55 C ATOM 464 C LEU A 337 0.994 25.020 8.792 1.00 7.08 C ATOM 465 O LEU A 337 0.743 26.225 8.922 1.00 9.08 O ATOM 466 CB LEU A 337 1.684 24.319 6.465 1.00 9.06 C ATOM 467 CG LEU A 337 2.726 23.778 5.479 1.00 9.77 C ATOM 468 CD1 LEU A 337 2.101 23.548 4.111 1.00 12.64 C ATOM 469 CD2 LEU A 337 3.920 24.714 5.361 1.00 13.28 C ATOM 470 H LEU A 337 2.456 22.421 8.089 1.00 0.00 H ATOM 471 N ALA A 338 0.298 24.065 9.412 1.00 7.91 N ATOM 472 CA ALA A 338 -0.846 24.372 10.266 1.00 7.60 C ATOM 473 C ALA A 338 -1.195 23.185 11.161 1.00 6.32 C ATOM 474 O ALA A 338 -0.898 22.035 10.823 1.00 6.71 O ATOM 475 CB ALA A 338 -2.058 24.763 9.413 1.00 8.70 C ATOM 476 H ALA A 338 0.579 23.072 9.283 1.00 0.00 H ATOM 477 N VAL A 339 -1.852 23.455 12.285 1.00 6.97 N ATOM 478 CA VAL A 339 -2.361 22.394 13.147 1.00 6.53 C ATOM 479 C VAL A 339 -3.772 22.773 13.587 1.00 6.31 C ATOM 480 O VAL A 339 -3.985 23.882 14.090 1.00 8.42 O ATOM 481 CB VAL A 339 -1.412 22.123 14.364 1.00 5.63 C ATOM 482 CG1 VAL A 339 -1.339 23.309 15.325 1.00 7.93 C ATOM 483 CG2 VAL A 339 -1.846 20.864 15.093 1.00 7.08 C ATOM 484 H VAL A 339 -2.007 24.447 12.556 1.00 0.00 H ATOM 485 N ASN A 340 -4.743 21.887 13.389 1.00 7.48 N ATOM 486 CA ASN A 340 -6.141 22.191 13.690 1.00 7.45 C ATOM 487 C ASN A 340 -6.571 23.550 13.150 1.00 9.66 C ATOM 488 O ASN A 340 -7.296 24.298 13.812 1.00 12.28 O ATOM 489 CB ASN A 340 -6.410 22.084 15.191 1.00 8.80 C ATOM 490 CG ASN A 340 -6.505 20.650 15.656 1.00 7.69 C ATOM 491 OD1 ASN A 340 -6.838 19.750 14.879 1.00 8.83 O ATOM 492 ND2 ASN A 340 -6.236 20.429 16.929 1.00 9.47 N ATOM 493 HD22 ASN A 340 -5.959 21.219 17.547 1.00 0.00 H ATOM 494 HD21 ASN A 340 -6.301 19.465 17.314 1.00 0.00 H ATOM 495 H ASN A 340 -4.501 20.950 13.009 1.00 0.00 H ATOM 496 N GLY A 341 -6.113 23.866 11.944 1.00 9.53 N ATOM 497 CA GLY A 341 -6.483 25.109 11.285 1.00 12.50 C ATOM 498 C GLY A 341 -5.685 26.349 11.673 1.00 11.46 C ATOM 499 O GLY A 341 -5.940 27.430 11.141 1.00 15.84 O ATOM 500 H GLY A 341 -5.472 23.207 11.458 1.00 0.00 H ATOM 501 N VAL A 342 -4.739 26.220 12.598 1.00 10.73 N ATOM 502 CA VAL A 342 -3.883 27.347 12.995 1.00 7.95 C ATOM 503 C VAL A 342 -2.622 27.391 12.151 1.00 11.31 C ATOM 504 O VAL A 342 -1.815 26.460 12.217 1.00 11.58 O ATOM 505 CB VAL A 342 -3.448 27.217 14.450 1.00 11.01 C ATOM 506 CG1 VAL A 342 -2.696 28.461 14.904 1.00 12.77 C ATOM 507 CG2 VAL A 342 -4.640 26.937 15.346 1.00 9.87 C ATOM 508 H VAL A 342 -4.601 25.295 13.054 1.00 0.00 H ATOM 509 N ASN A 343 -2.437 28.481 11.402 1.00 10.47 N ATOM 510 CA ASN A 343 -1.289 28.620 10.519 1.00 10.95 C ATOM 511 C ASN A 343 -0.032 28.738 11.359 1.00 14.13 C ATOM 512 O ASN A 343 0.009 29.501 12.327 1.00 18.86 O ATOM 513 CB ASN A 343 -1.441 29.857 9.623 1.00 14.85 C ATOM 514 CG ASN A 343 -0.512 29.832 8.427 1.00 17.24 C ATOM 515 OD1 ASN A 343 0.626 29.382 8.512 1.00 24.29 O ATOM 516 ND2 ASN A 343 -1.006 30.312 7.289 1.00 29.84 N ATOM 517 HD22 ASN A 343 -1.977 30.685 7.260 1.00 0.00 H ATOM 518 HD21 ASN A 343 -0.422 30.315 6.429 1.00 0.00 H ATOM 519 H ASN A 343 -3.133 29.252 11.451 1.00 0.00 H ATOM 520 N LEU A 344 0.987 27.975 10.997 1.00 10.15 N ATOM 521 CA LEU A 344 2.256 28.037 11.697 1.00 10.02 C ATOM 522 C LEU A 344 3.382 28.537 10.797 1.00 9.70 C ATOM 523 O LEU A 344 4.540 28.513 11.189 1.00 11.71 O ATOM 524 CB LEU A 344 2.615 26.662 12.272 1.00 8.83 C ATOM 525 CG LEU A 344 1.706 26.111 13.379 1.00 8.96 C ATOM 526 CD1 LEU A 344 2.070 24.666 13.738 1.00 13.69 C ATOM 527 CD2 LEU A 344 1.708 26.999 14.620 1.00 13.62 C ATOM 528 H LEU A 344 0.876 27.320 10.197 1.00 0.00 H ATOM 529 N ARG A 345 3.049 28.992 9.586 1.00 12.91 N ATOM 530 CA ARG A 345 4.085 29.364 8.619 1.00 14.03 C ATOM 531 C ARG A 345 4.828 30.638 9.000 1.00 10.89 C ATOM 532 O ARG A 345 5.928 30.886 8.511 1.00 16.02 O ATOM 533 CB ARG A 345 3.517 29.479 7.197 1.00 12.72 C ATOM 534 CG ARG A 345 2.943 28.179 6.660 1.00 14.35 C ATOM 535 CD ARG A 345 2.533 28.311 5.207 1.00 14.93 C ATOM 536 NE ARG A 345 3.681 28.488 4.319 1.00 16.72 N ATOM 537 CZ ARG A 345 3.580 28.676 3.008 1.00 23.77 C ATOM 538 NH1 ARG A 345 2.383 28.715 2.438 1.00 25.44 N ATOM 539 NH2 ARG A 345 4.671 28.825 2.268 1.00 22.30 N ATOM 540 HE ARG A 345 4.632 28.465 4.738 1.00 0.00 H ATOM 541 HH12 ARG A 345 2.300 28.862 1.412 1.00 0.00 H ATOM 542 HH11 ARG A 345 1.527 28.599 3.017 1.00 0.00 H ATOM 543 HH22 ARG A 345 4.587 28.972 1.242 1.00 0.00 H ATOM 544 HH21 ARG A 345 5.610 28.795 2.714 1.00 0.00 H ATOM 545 H ARG A 345 2.046 29.083 9.327 1.00 0.00 H ATOM 546 N ASP A 346 4.228 31.445 9.867 1.00 10.04 N ATOM 547 CA ASP A 346 4.875 32.681 10.288 1.00 11.00 C ATOM 548 C ASP A 346 5.088 32.754 11.794 1.00 10.58 C ATOM 549 O ASP A 346 5.355 33.829 12.322 1.00 13.67 O ATOM 550 CB ASP A 346 4.075 33.895 9.816 1.00 18.98 C ATOM 551 CG ASP A 346 4.006 33.992 8.308 1.00 27.24 C ATOM 552 OD1 ASP A 346 5.049 33.777 7.650 1.00 28.70 O ATOM 553 OD2 ASP A 346 2.908 34.274 7.784 1.00 28.91 O ATOM 554 H ASP A 346 3.293 31.194 10.247 1.00 0.00 H ATOM 555 N THR A 347 4.972 31.624 12.483 1.00 10.70 N ATOM 556 CA THR A 347 5.133 31.620 13.930 1.00 7.65 C ATOM 557 C THR A 347 6.592 31.536 14.345 1.00 7.33 C ATOM 558 O THR A 347 7.406 30.852 13.708 1.00 7.08 O ATOM 559 CB THR A 347 4.343 30.453 14.613 1.00 10.65 C ATOM 560 OG1 THR A 347 4.763 29.177 14.096 1.00 11.83 O ATOM 561 CG2 THR A 347 2.842 30.629 14.417 1.00 18.98 C ATOM 562 HG1 THR A 347 4.597 29.147 13.121 1.00 0.00 H ATOM 563 H THR A 347 4.765 30.735 11.985 1.00 0.00 H ATOM 564 N LYS A 348 6.915 32.209 15.440 1.00 6.80 N ATOM 565 CA LYS A 348 8.201 32.030 16.080 1.00 6.06 C ATOM 566 C LYS A 348 8.244 30.682 16.789 1.00 5.23 C ATOM 567 O LYS A 348 7.211 30.064 17.078 1.00 6.04 O ATOM 568 CB LYS A 348 8.447 33.161 17.069 1.00 7.07 C ATOM 569 CG LYS A 348 8.497 34.543 16.429 1.00 9.45 C ATOM 570 CD LYS A 348 8.574 35.629 17.512 1.00 13.24 C ATOM 571 CE LYS A 348 8.646 37.020 16.921 1.00 20.57 C ATOM 572 NZ LYS A 348 8.853 38.020 18.002 1.00 27.22 N ATOM 573 HZ1 LYS A 348 8.060 37.973 18.673 1.00 0.00 H ATOM 574 HZ2 LYS A 348 9.742 37.812 18.499 1.00 0.00 H ATOM 575 HZ3 LYS A 348 8.901 38.972 17.587 1.00 0.00 H ATOM 576 H LYS A 348 6.231 32.879 15.847 1.00 0.00 H ATOM 577 N HIS A 349 9.453 30.223 17.080 1.00 5.27 N ATOM 578 CA HIS A 349 9.647 28.911 17.676 1.00 6.33 C ATOM 579 C HIS A 349 8.750 28.659 18.884 1.00 4.63 C ATOM 580 O HIS A 349 8.028 27.660 18.938 1.00 5.08 O ATOM 581 CB HIS A 349 11.104 28.716 18.105 1.00 5.62 C ATOM 582 CG HIS A 349 11.430 27.294 18.427 1.00 5.13 C ATOM 583 ND1 HIS A 349 11.404 26.749 19.696 1.00 7.44 N ATOM 584 CD2 HIS A 349 11.738 26.282 17.592 1.00 4.46 C ATOM 585 CE1 HIS A 349 11.701 25.457 19.625 1.00 3.98 C ATOM 586 NE2 HIS A 349 11.912 25.156 18.354 1.00 8.50 N ATOM 587 H HIS A 349 10.283 30.816 16.877 1.00 0.00 H ATOM 588 N LYS A 350 8.813 29.548 19.873 1.00 4.77 N ATOM 589 CA LYS A 350 8.090 29.308 21.117 1.00 5.71 C ATOM 590 C LYS A 350 6.591 29.512 20.961 1.00 5.15 C ATOM 591 O LYS A 350 5.803 28.885 21.666 1.00 5.89 O ATOM 592 CB LYS A 350 8.651 30.149 22.269 1.00 7.05 C ATOM 593 CG LYS A 350 10.075 29.778 22.650 1.00 6.37 C ATOM 594 CD LYS A 350 10.579 30.588 23.848 1.00 8.75 C ATOM 595 CE LYS A 350 9.983 30.100 25.161 1.00 8.78 C ATOM 596 NZ LYS A 350 10.347 30.989 26.310 1.00 11.20 N ATOM 597 HZ1 LYS A 350 11.382 31.014 26.413 1.00 0.00 H ATOM 598 HZ2 LYS A 350 9.992 31.950 26.130 1.00 0.00 H ATOM 599 HZ3 LYS A 350 9.920 30.618 27.183 1.00 0.00 H ATOM 600 H LYS A 350 9.378 30.414 19.759 1.00 0.00 H ATOM 601 N GLU A 351 6.175 30.357 20.024 1.00 5.98 N ATOM 602 CA GLU A 351 4.757 30.443 19.691 1.00 5.27 C ATOM 603 C GLU A 351 4.264 29.082 19.210 1.00 4.72 C ATOM 604 O GLU A 351 3.218 28.588 19.647 1.00 5.96 O ATOM 605 CB GLU A 351 4.517 31.509 18.617 1.00 5.84 C ATOM 606 CG GLU A 351 4.901 32.898 19.084 1.00 6.18 C ATOM 607 CD GLU A 351 4.836 33.933 17.983 1.00 6.49 C ATOM 608 OE1 GLU A 351 4.803 33.570 16.784 1.00 8.00 O ATOM 609 OE2 GLU A 351 4.814 35.130 18.323 1.00 8.86 O ATOM 610 H GLU A 351 6.862 30.959 19.526 1.00 0.00 H ATOM 611 N ALA A 352 5.015 28.472 18.293 1.00 5.16 N ATOM 612 CA ALA A 352 4.641 27.160 17.766 1.00 5.65 C ATOM 613 C ALA A 352 4.574 26.099 18.862 1.00 5.14 C ATOM 614 O ALA A 352 3.683 25.260 18.854 1.00 5.00 O ATOM 615 CB ALA A 352 5.616 26.719 16.678 1.00 6.56 C ATOM 616 H ALA A 352 5.879 28.936 17.947 1.00 0.00 H ATOM 617 N VAL A 353 5.520 26.124 19.798 1.00 4.95 N ATOM 618 CA VAL A 353 5.507 25.154 20.889 1.00 5.17 C ATOM 619 C VAL A 353 4.212 25.292 21.681 1.00 4.61 C ATOM 620 O VAL A 353 3.537 24.296 21.956 1.00 5.03 O ATOM 621 CB VAL A 353 6.725 25.315 21.824 1.00 5.30 C ATOM 622 CG1 VAL A 353 6.543 24.472 23.086 1.00 7.13 C ATOM 623 CG2 VAL A 353 8.023 24.940 21.100 1.00 6.37 C ATOM 624 H VAL A 353 6.273 26.839 19.752 1.00 0.00 H ATOM 625 N THR A 354 3.856 26.520 22.045 1.00 4.79 N ATOM 626 CA THR A 354 2.626 26.728 22.808 1.00 5.29 C ATOM 627 C THR A 354 1.399 26.230 22.044 1.00 5.08 C ATOM 628 O THR A 354 0.564 25.501 22.593 1.00 5.44 O ATOM 629 CB THR A 354 2.463 28.213 23.186 1.00 6.34 C ATOM 630 OG1 THR A 354 3.422 28.543 24.197 1.00 8.18 O ATOM 631 CG2 THR A 354 1.051 28.511 23.701 1.00 7.30 C ATOM 632 HG1 THR A 354 3.268 27.976 24.994 1.00 0.00 H ATOM 633 H THR A 354 4.452 27.332 21.787 1.00 0.00 H ATOM 634 N ILE A 355 1.299 26.600 20.772 1.00 5.33 N ATOM 635 CA ILE A 355 0.147 26.211 19.982 1.00 5.99 C ATOM 636 C ILE A 355 0.075 24.687 19.843 1.00 5.09 C ATOM 637 O ILE A 355 -0.970 24.078 20.055 1.00 5.45 O ATOM 638 CB ILE A 355 0.185 26.882 18.595 1.00 5.51 C ATOM 639 CG1 ILE A 355 0.027 28.400 18.741 1.00 6.62 C ATOM 640 CG2 ILE A 355 -0.892 26.308 17.673 1.00 6.63 C ATOM 641 CD1 ILE A 355 0.496 29.171 17.512 1.00 6.53 C ATOM 642 H ILE A 355 2.052 27.173 20.340 1.00 0.00 H ATOM 643 N LEU A 356 1.191 24.067 19.473 1.00 3.97 N ATOM 644 CA LEU A 356 1.240 22.626 19.260 1.00 4.91 C ATOM 645 C LEU A 356 0.907 21.850 20.535 1.00 4.82 C ATOM 646 O LEU A 356 0.132 20.891 20.503 1.00 4.48 O ATOM 647 CB LEU A 356 2.602 22.224 18.699 1.00 4.66 C ATOM 648 CG LEU A 356 2.732 22.530 17.200 1.00 4.78 C ATOM 649 CD1 LEU A 356 4.189 22.657 16.773 1.00 6.27 C ATOM 650 CD2 LEU A 356 1.990 21.507 16.317 1.00 6.41 C ATOM 651 H LEU A 356 2.056 24.627 19.331 1.00 0.00 H ATOM 652 N SER A 357 1.472 22.278 21.659 1.00 4.23 N ATOM 653 CA SER A 357 1.288 21.566 22.922 1.00 5.39 C ATOM 654 C SER A 357 -0.117 21.719 23.484 1.00 4.83 C ATOM 655 O SER A 357 -0.521 20.909 24.318 1.00 7.38 O ATOM 656 CB SER A 357 2.333 22.000 23.958 1.00 6.06 C ATOM 657 OG SER A 357 3.635 21.571 23.592 1.00 5.81 O ATOM 658 HG SER A 357 3.649 20.583 23.526 1.00 0.00 H ATOM 659 H SER A 357 2.057 23.137 21.640 1.00 0.00 H ATOM 660 N GLN A 358 -0.862 22.729 23.038 1.00 5.32 N ATOM 661 CA GLN A 358 -2.245 22.927 23.470 1.00 6.19 C ATOM 662 C GLN A 358 -3.212 21.940 22.823 1.00 5.55 C ATOM 663 O GLN A 358 -4.326 21.752 23.327 1.00 6.96 O ATOM 664 CB GLN A 358 -2.724 24.351 23.154 1.00 6.66 C ATOM 665 CG GLN A 358 -2.259 25.398 24.138 1.00 8.80 C ATOM 666 CD GLN A 358 -2.745 26.786 23.783 1.00 10.28 C ATOM 667 OE1 GLN A 358 -3.499 26.967 22.828 1.00 19.78 O ATOM 668 NE2 GLN A 358 -2.318 27.773 24.554 1.00 10.89 N ATOM 669 HE22 GLN A 358 -1.681 27.572 25.351 1.00 0.00 H ATOM 670 HE21 GLN A 358 -2.620 28.750 24.363 1.00 0.00 H ATOM 671 H GLN A 358 -0.446 23.399 22.360 1.00 0.00 H ATOM 672 N GLN A 359 -2.841 21.351 21.689 1.00 4.97 N ATOM 673 CA GLN A 359 -3.805 20.524 20.961 1.00 5.71 C ATOM 674 C GLN A 359 -4.031 19.182 21.669 1.00 5.05 C ATOM 675 O GLN A 359 -3.094 18.589 22.205 1.00 6.58 O ATOM 676 CB GLN A 359 -3.370 20.343 19.501 1.00 5.24 C ATOM 677 CG GLN A 359 -2.976 21.654 18.810 1.00 5.85 C ATOM 678 CD GLN A 359 -4.061 22.718 18.895 1.00 5.92 C ATOM 679 OE1 GLN A 359 -5.244 22.448 18.643 1.00 8.48 O ATOM 680 NE2 GLN A 359 -3.666 23.937 19.238 1.00 7.21 N ATOM 681 HE22 GLN A 359 -2.663 24.121 19.441 1.00 0.00 H ATOM 682 HE21 GLN A 359 -4.360 24.709 19.304 1.00 0.00 H ATOM 683 H GLN A 359 -1.876 21.477 21.323 1.00 0.00 H ATOM 684 N ARG A 360 -5.277 18.717 21.677 1.00 5.22 N ATOM 685 CA ARG A 360 -5.627 17.462 22.342 1.00 5.51 C ATOM 686 C ARG A 360 -6.431 16.534 21.437 1.00 5.86 C ATOM 687 O ARG A 360 -7.178 16.987 20.570 1.00 6.99 O ATOM 688 CB ARG A 360 -6.461 17.736 23.594 1.00 8.32 C ATOM 689 CG ARG A 360 -5.792 18.610 24.642 1.00 12.13 C ATOM 690 CD ARG A 360 -6.804 19.067 25.693 1.00 15.56 C ATOM 691 NE ARG A 360 -7.434 17.931 26.359 1.00 17.54 N ATOM 692 CZ ARG A 360 -8.437 18.031 27.226 1.00 29.10 C ATOM 693 NH1 ARG A 360 -8.948 16.939 27.778 1.00 26.38 N ATOM 694 NH2 ARG A 360 -8.929 19.223 27.542 1.00 35.07 N ATOM 695 HE ARG A 360 -7.074 16.980 26.141 1.00 0.00 H ATOM 696 HH12 ARG A 360 -9.733 17.018 28.456 1.00 0.00 H ATOM 697 HH11 ARG A 360 -8.564 16.004 27.533 1.00 0.00 H ATOM 698 HH22 ARG A 360 -9.714 19.298 28.220 1.00 0.00 H ATOM 699 HH21 ARG A 360 -8.530 20.081 27.111 1.00 0.00 H ATOM 700 H ARG A 360 -6.023 19.260 21.197 1.00 0.00 H ATOM 701 N GLY A 361 -6.303 15.233 21.673 1.00 6.11 N ATOM 702 CA GLY A 361 -7.200 14.258 21.075 1.00 6.52 C ATOM 703 C GLY A 361 -6.902 13.961 19.622 1.00 5.26 C ATOM 704 O GLY A 361 -5.825 13.460 19.287 1.00 7.24 O ATOM 705 H GLY A 361 -5.542 14.904 22.301 1.00 0.00 H ATOM 706 N GLU A 362 -7.874 14.255 18.765 1.00 5.10 N ATOM 707 CA GLU A 362 -7.748 14.036 17.326 1.00 5.96 C ATOM 708 C GLU A 362 -7.291 15.332 16.695 1.00 6.27 C ATOM 709 O GLU A 362 -8.038 16.316 16.671 1.00 8.97 O ATOM 710 CB GLU A 362 -9.092 13.618 16.738 1.00 6.92 C ATOM 711 CG GLU A 362 -9.624 12.331 17.329 1.00 8.11 C ATOM 712 CD GLU A 362 -10.954 11.915 16.731 1.00 9.41 C ATOM 713 OE1 GLU A 362 -11.267 10.712 16.778 1.00 9.69 O ATOM 714 OE2 GLU A 362 -11.685 12.790 16.217 1.00 11.30 O ATOM 715 H GLU A 362 -8.760 14.657 19.133 1.00 0.00 H ATOM 716 N ILE A 363 -6.060 15.344 16.212 1.00 4.61 N ATOM 717 CA ILE A 363 -5.377 16.569 15.824 1.00 5.65 C ATOM 718 C ILE A 363 -5.019 16.498 14.347 1.00 5.98 C ATOM 719 O ILE A 363 -4.366 15.546 13.906 1.00 6.22 O ATOM 720 CB ILE A 363 -4.105 16.746 16.670 1.00 5.51 C ATOM 721 CG1 ILE A 363 -4.466 16.756 18.162 1.00 5.89 C ATOM 722 CG2 ILE A 363 -3.369 18.018 16.281 1.00 7.27 C ATOM 723 CD1 ILE A 363 -3.280 16.647 19.087 1.00 7.42 C ATOM 724 H ILE A 363 -5.559 14.439 16.105 1.00 0.00 H ATOM 725 N GLU A 364 -5.453 17.480 13.571 1.00 5.74 N ATOM 726 CA GLU A 364 -5.150 17.498 12.152 1.00 6.32 C ATOM 727 C GLU A 364 -3.935 18.366 11.862 1.00 5.80 C ATOM 728 O GLU A 364 -3.884 19.535 12.265 1.00 9.51 O ATOM 729 CB GLU A 364 -6.338 18.039 11.365 1.00 10.30 C ATOM 730 CG GLU A 364 -6.072 18.097 9.868 1.00 18.99 C ATOM 731 CD GLU A 364 -7.342 18.247 9.051 1.00 35.31 C ATOM 732 OE1 GLU A 364 -8.287 18.906 9.531 1.00 40.75 O ATOM 733 OE2 GLU A 364 -7.391 17.695 7.934 1.00 41.17 O ATOM 734 H GLU A 364 -6.019 18.249 13.984 1.00 0.00 H ATOM 735 N PHE A 365 -2.970 17.820 11.141 1.00 5.84 N ATOM 736 CA PHE A 365 -1.782 18.546 10.718 1.00 6.85 C ATOM 737 C PHE A 365 -1.832 18.827 9.231 1.00 6.61 C ATOM 738 O PHE A 365 -2.264 17.982 8.446 1.00 8.38 O ATOM 739 CB PHE A 365 -0.532 17.721 11.016 1.00 7.41 C ATOM 740 CG PHE A 365 -0.156 17.697 12.463 1.00 6.05 C ATOM 741 CD1 PHE A 365 -0.809 16.875 13.369 1.00 6.57 C ATOM 742 CD2 PHE A 365 0.870 18.507 12.926 1.00 9.88 C ATOM 743 CE1 PHE A 365 -0.465 16.879 14.705 1.00 7.06 C ATOM 744 CE2 PHE A 365 1.225 18.505 14.268 1.00 10.13 C ATOM 745 CZ PHE A 365 0.552 17.683 15.154 1.00 7.67 C ATOM 746 H PHE A 365 -3.065 16.822 10.863 1.00 0.00 H ATOM 747 N GLU A 366 -1.374 20.009 8.843 1.00 6.81 N ATOM 748 CA GLU A 366 -1.123 20.295 7.443 1.00 7.01 C ATOM 749 C GLU A 366 0.391 20.408 7.297 1.00 5.66 C ATOM 750 O GLU A 366 1.013 21.254 7.940 1.00 6.85 O ATOM 751 CB GLU A 366 -1.820 21.590 7.028 1.00 9.01 C ATOM 752 CG GLU A 366 -1.799 21.843 5.539 1.00 13.17 C ATOM 753 CD GLU A 366 -2.582 23.087 5.127 1.00 23.47 C ATOM 754 OE1 GLU A 366 -3.226 23.715 5.995 1.00 24.14 O ATOM 755 OE2 GLU A 366 -2.550 23.438 3.928 1.00 28.68 O ATOM 756 H GLU A 366 -1.191 20.745 9.555 1.00 0.00 H ATOM 757 N VAL A 367 0.989 19.550 6.478 1.00 6.39 N ATOM 758 CA VAL A 367 2.438 19.454 6.409 1.00 6.21 C ATOM 759 C VAL A 367 2.922 19.341 4.970 1.00 6.86 C ATOM 760 O VAL A 367 2.157 19.004 4.058 1.00 8.10 O ATOM 761 CB VAL A 367 2.963 18.218 7.201 1.00 6.03 C ATOM 762 CG1 VAL A 367 2.755 18.385 8.701 1.00 7.19 C ATOM 763 CG2 VAL A 367 2.316 16.922 6.707 1.00 9.11 C ATOM 764 H VAL A 367 0.409 18.934 5.874 1.00 0.00 H ATOM 765 N VAL A 368 4.204 19.613 4.765 1.00 6.89 N ATOM 766 CA VAL A 368 4.792 19.443 3.451 1.00 7.53 C ATOM 767 C VAL A 368 6.255 19.064 3.589 1.00 7.56 C ATOM 768 O VAL A 368 6.978 19.631 4.395 1.00 8.07 O ATOM 769 CB VAL A 368 4.644 20.713 2.577 1.00 6.53 C ATOM 770 CG1 VAL A 368 5.438 21.878 3.150 1.00 8.80 C ATOM 771 CG2 VAL A 368 5.078 20.426 1.146 1.00 8.72 C ATOM 772 H VAL A 368 4.792 19.951 5.553 1.00 0.00 H ATOM 773 N TYR A 369 6.678 18.088 2.801 1.00 8.63 N ATOM 774 CA TYR A 369 8.070 17.698 2.769 1.00 11.21 C ATOM 775 C TYR A 369 8.752 18.373 1.593 1.00 15.48 C ATOM 776 O TYR A 369 8.415 18.110 0.441 1.00 14.33 O ATOM 777 CB TYR A 369 8.211 16.189 2.609 1.00 9.44 C ATOM 778 CG TYR A 369 9.642 15.730 2.697 1.00 10.90 C ATOM 779 CD1 TYR A 369 10.195 15.370 3.917 1.00 11.11 C ATOM 780 CD2 TYR A 369 10.443 15.658 1.564 1.00 16.58 C ATOM 781 CE1 TYR A 369 11.508 14.962 4.011 1.00 13.37 C ATOM 782 CE2 TYR A 369 11.756 15.247 1.648 1.00 18.62 C ATOM 783 CZ TYR A 369 12.284 14.894 2.872 1.00 17.46 C ATOM 784 OH TYR A 369 13.596 14.482 2.952 1.00 22.93 O ATOM 785 HH TYR A 369 13.816 14.267 3.893 1.00 0.00 H ATOM 786 H TYR A 369 5.996 17.592 2.193 1.00 0.00 H ATOM 787 N VAL A 370 9.720 19.232 1.890 1.00 18.36 N ATOM 788 CA VAL A 370 10.488 19.910 0.852 1.00 25.08 C ATOM 789 C VAL A 370 11.911 19.365 0.790 1.00 25.44 C ATOM 790 O VAL A 370 12.534 19.119 1.824 1.00 28.35 O ATOM 791 CB VAL A 370 10.544 21.431 1.092 1.00 28.71 C ATOM 792 CG1 VAL A 370 11.466 22.095 0.075 1.00 30.26 C ATOM 793 CG2 VAL A 370 9.146 22.033 1.039 1.00 26.93 C ATOM 794 H VAL A 370 9.936 19.426 2.889 1.00 0.00 H TER 795 VAL A 370 HETATM 796 O HOH 1 -0.310 18.421 21.773 1.00 5.28 O HETATM 797 O HOH 2 6.181 9.960 17.782 1.00 4.51 O HETATM 798 O HOH 3 4.494 9.035 11.271 1.00 6.35 O HETATM 799 O HOH 4 -1.470 8.865 16.460 1.00 6.95 O HETATM 800 O HOH 5 0.817 24.760 25.287 1.00 6.83 O HETATM 801 O HOH 6 4.608 11.257 24.810 1.00 8.68 O HETATM 802 O HOH 7 -10.580 8.955 18.683 1.00 8.70 O HETATM 803 O HOH 8 10.592 31.838 19.846 1.00 8.50 O HETATM 804 O HOH 9 6.206 28.564 24.343 1.00 9.05 O HETATM 805 O HOH 10 4.930 16.554 1.210 1.00 8.67 O HETATM 806 O HOH 11 -13.856 9.890 16.821 1.00 13.78 O HETATM 807 O HOH 12 -4.771 14.392 24.007 1.00 9.87 O HETATM 808 O HOH 13 -7.843 18.424 18.307 1.00 11.58 O HETATM 809 O HOH 14 -8.364 9.090 20.139 1.00 10.32 O HETATM 810 O HOH 15 3.257 24.628 26.539 1.00 13.08 O HETATM 811 O HOH 16 6.047 26.523 9.696 1.00 11.40 O HETATM 812 O HOH 17 7.167 29.540 11.291 1.00 11.13 O HETATM 813 O HOH 18 13.606 10.844 14.264 1.00 12.11 O HETATM 814 O HOH 19 -2.519 6.904 19.281 1.00 13.49 O HETATM 815 O HOH 20 7.279 13.270 4.509 1.00 11.90 O HETATM 816 O HOH 21 10.820 10.223 10.004 1.00 12.65 O HETATM 817 O HOH 22 -7.451 20.496 20.991 1.00 14.32 O HETATM 818 O HOH 23 -7.616 6.742 20.951 1.00 12.38 O HETATM 819 O HOH 24 12.570 9.222 12.032 1.00 15.30 O HETATM 820 O HOH 25 1.780 5.904 26.882 1.00 15.11 O HETATM 821 O HOH 26 9.083 30.547 9.623 1.00 14.56 O HETATM 822 O HOH 27 -4.739 21.998 10.094 1.00 16.54 O HETATM 823 O HOH 28 3.318 27.282 26.476 1.00 11.92 O HETATM 824 O HOH 29 6.391 35.789 14.177 1.00 14.66 O HETATM 825 O HOH 30 1.684 15.608 -6.031 1.00 14.19 O HETATM 826 O HOH 31 -8.565 9.286 22.989 1.00 12.22 O HETATM 827 O HOH 32 -3.567 15.017 2.191 1.00 17.34 O HETATM 828 O HOH 33 11.656 11.812 6.114 1.00 16.28 O HETATM 829 O HOH 34 5.434 14.134 0.159 1.00 15.93 O HETATM 830 O HOH 35 3.404 8.915 4.990 1.00 18.03 O HETATM 831 O HOH 36 6.106 6.812 11.398 1.00 17.55 O HETATM 832 O HOH 37 1.397 11.889 4.816 1.00 15.25 O HETATM 833 O HOH 38 4.800 5.669 8.352 1.00 18.64 O HETATM 834 O HOH 39 -4.238 5.891 20.896 1.00 15.65 O HETATM 835 O HOH 40 14.340 18.479 9.872 1.00 19.95 O HETATM 836 O HOH 41 11.311 7.582 13.978 1.00 16.03 O HETATM 837 O HOH 42 -10.303 15.717 19.506 1.00 18.31 O HETATM 838 O HOH 43 14.141 30.950 18.929 1.00 23.23 O HETATM 839 O HOH 44 -2.888 25.486 27.930 1.00 19.04 O HETATM 840 O HOH 45 10.003 7.662 22.167 1.00 17.55 O HETATM 841 O HOH 46 15.795 12.505 13.424 1.00 24.50 O HETATM 842 O HOH 47 -14.054 12.267 15.208 1.00 18.54 O HETATM 843 O HOH 48 -2.430 19.332 25.048 1.00 19.08 O HETATM 844 O HOH 49 5.700 12.413 2.419 1.00 18.53 O HETATM 845 O HOH 50 13.917 24.445 10.950 1.00 18.05 O HETATM 846 O HOH 51 8.643 8.494 9.981 1.00 16.99 O HETATM 847 O HOH 52 1.655 31.845 11.153 1.00 18.72 O HETATM 848 O HOH 53 9.308 3.277 15.733 1.00 23.90 O HETATM 849 O HOH 54 -1.506 18.935 -2.302 1.00 21.37 O HETATM 850 O HOH 55 8.095 37.660 13.467 1.00 19.61 O HETATM 851 O HOH 56 9.532 11.627 4.287 1.00 18.52 O HETATM 852 O HOH 57 15.750 20.411 11.213 1.00 22.91 O HETATM 853 O HOH 58 9.518 5.726 12.932 1.00 26.36 O HETATM 854 O HOH 59 16.935 15.816 12.031 1.00 24.40 O HETATM 855 O HOH 60 -11.786 14.923 14.367 1.00 28.20 O HETATM 856 O HOH 61 6.747 28.351 7.559 1.00 27.04 O HETATM 857 O HOH 62 13.936 10.138 16.826 1.00 24.42 O HETATM 858 O HOH 63 10.722 37.128 13.899 1.00 27.34 O HETATM 859 O HOH 64 -5.235 22.335 25.960 1.00 29.33 O HETATM 860 O HOH 65 12.898 18.997 4.643 1.00 24.80 O HETATM 861 O HOH 66 3.201 10.683 3.106 1.00 28.90 O HETATM 862 O HOH 67 1.361 13.380 -4.640 1.00 26.31 O HETATM 863 O HOH 68 7.442 14.782 -1.771 1.00 36.46 O HETATM 864 O HOH 69 -8.862 26.782 13.917 1.00 37.02 O HETATM 865 O HOH 70 12.169 38.134 15.980 1.00 27.67 O HETATM 866 O HOH 71 -9.312 19.359 13.686 1.00 32.61 O HETATM 867 O HOH 72 17.137 16.604 17.520 1.00 37.12 O HETATM 868 O HOH 73 5.210 5.372 26.158 1.00 23.37 O HETATM 869 O HOH 74 15.448 13.449 21.344 1.00 38.16 O HETATM 870 O HOH 75 9.738 20.394 4.358 1.00 15.05 O HETATM 871 O HOH 76 6.285 27.591 4.987 1.00 20.19 O HETATM 872 O HOH 77 10.497 23.163 4.394 1.00 19.90 O HETATM 873 O HOH 78 -2.419 22.766 27.823 1.00 21.49 O HETATM 874 O HOH 79 -0.091 22.701 26.921 1.00 20.88 O HETATM 875 O HOH 80 3.439 12.513 -0.919 1.00 29.47 O HETATM 876 O HOH 81 7.915 5.053 23.030 1.00 25.26 O HETATM 877 O HOH 82 13.211 23.519 4.199 1.00 29.85 O HETATM 878 O HOH 83 -3.803 20.585 26.939 1.00 33.09 O HETATM 879 O HOH 84 15.059 17.832 1.938 1.00 34.99 O HETATM 880 O HOH 85 -8.346 14.321 24.465 1.00 30.28 O HETATM 881 O HOH 86 14.666 21.168 3.924 1.00 31.86 O HETATM 882 O HOH 87 -10.080 16.199 23.405 1.00 35.08 O HETATM 883 O HOH 88 16.077 24.435 9.035 1.00 30.81 O HETATM 884 O HOH 89 17.155 22.071 9.497 1.00 41.87 O HETATM 885 O HOH 90 14.375 32.749 5.324 1.00 37.29 O HETATM 886 O HOH 91 8.478 8.865 4.601 1.00 35.02 O HETATM 887 O HOH 92 10.045 5.857 24.640 1.00 39.53 O HETATM 888 O HOH 93 -9.682 27.510 16.512 1.00 45.68 O HETATM 889 O HOH 94 -0.876 14.592 -3.452 1.00 36.71 O HETATM 890 O HOH 95 -12.578 14.752 18.276 1.00 39.01 O HETATM 891 O HOH 96 15.565 17.329 7.492 1.00 43.85 O HETATM 892 O HOH 97 11.402 9.594 7.291 1.00 28.23 O HETATM 893 O HOH 98 -0.723 27.166 6.400 1.00 29.80 O HETATM 894 O HOH 99 17.452 20.387 7.378 1.00 33.69 O HETATM 895 O HOH 100 16.538 11.688 11.231 1.00 43.86 O HETATM 896 O HOH 101 -7.991 28.123 9.380 1.00 35.31 O HETATM 897 O HOH 102 18.352 26.083 8.897 1.00 35.10 O HETATM 898 O HOH 103 14.883 16.646 5.205 1.00 39.89 O HETATM 899 O HOH 104 10.523 14.477 -2.233 1.00 40.42 O HETATM 900 O HOH 105 6.925 3.393 12.618 1.00 24.37 O HETATM 901 O HOH 106 -1.321 15.225 -0.648 1.00 30.30 O HETATM 902 O HOH 107 11.070 38.226 9.571 1.00 31.10 O HETATM 903 O HOH 108 0.807 12.691 -0.382 1.00 31.88 O HETATM 904 O HOH 109 -9.568 19.487 6.927 1.00 37.40 O HETATM 905 O HOH 110 -8.690 21.111 11.315 1.00 37.62 O HETATM 906 O HOH 111 2.716 9.166 30.297 1.00 34.08 O HETATM 907 O HOH 112 3.794 18.886 24.158 1.00 5.43 O HETATM 908 O HOH 113 12.638 20.652 24.849 1.00 5.57 O HETATM 909 O HOH 114 10.536 26.093 23.535 1.00 6.53 O HETATM 910 O HOH 115 14.116 19.820 27.108 1.00 18.77 O HETATM 911 O HOH 116 16.638 19.060 16.142 1.00 19.89 O HETATM 912 O HOH 117 19.047 22.345 18.075 1.00 27.95 O HETATM 913 O HOH 118 16.618 17.935 21.937 1.00 28.85 O HETATM 914 O HOH 119 17.772 23.980 21.410 1.00 27.38 O HETATM 915 O HOH 120 15.483 19.975 23.268 1.00 28.87 O HETATM 916 O HOH 121 18.114 19.966 13.943 1.00 31.00 O HETATM 917 O HOH 122 16.500 19.891 25.744 1.00 38.70 O HETATM 918 N ARG A 123 22.696 27.332 16.249 1.00 0.24 N HETATM 919 CA ARG A 123 22.011 28.507 15.728 1.00 0.07 C HETATM 920 C ARG A 123 20.494 28.334 15.838 1.00 0.23 C HETATM 921 O ARG A 123 19.763 29.294 16.110 1.00 -0.39 O HETATM 922 N ARG A 123 20.025 27.103 15.645 1.00 -0.26 N HETATM 923 CA ARG A 123 18.592 26.829 15.681 1.00 0.13 C HETATM 924 C ARG A 123 18.186 26.070 16.938 1.00 0.21 C HETATM 925 O ARG A 123 18.825 25.088 17.306 1.00 -0.39 O HETATM 926 N ARG A 123 17.113 26.530 17.594 1.00 -0.25 N HETATM 927 CA ARG A 123 16.568 25.853 18.772 1.00 0.13 C HETATM 928 C ARG A 123 15.847 24.563 18.389 1.00 0.20 C HETATM 929 O ARG A 123 15.327 24.456 17.279 1.00 -0.39 O HETATM 930 N ARG A 123 15.824 23.609 19.312 1.00 -0.26 N HETATM 931 CA ARG A 123 15.024 22.408 19.151 1.00 0.16 C HETATM 932 C ARG A 123 14.200 22.251 20.407 1.00 0.21 C HETATM 933 O ARG A 123 14.708 22.437 21.517 1.00 -0.39 O HETATM 934 N ARG A 123 12.926 21.918 20.240 1.00 -0.26 N HETATM 935 CA ARG A 123 12.073 21.603 21.372 1.00 0.15 C HETATM 936 C ARG A 123 11.460 20.235 21.179 1.00 0.21 C HETATM 937 O ARG A 123 10.999 19.900 20.078 1.00 -0.39 O HETATM 938 N ARG A 123 11.445 19.455 22.251 1.00 -0.26 N HETATM 939 CA ARG A 123 10.765 18.168 22.251 1.00 0.13 C HETATM 940 C ARG A 123 9.353 18.414 22.748 1.00 0.20 C HETATM 941 O ARG A 123 9.171 19.012 23.819 1.00 -0.39 O HETATM 942 N ARG A 123 8.360 17.948 22.000 1.00 -0.27 N HETATM 943 CA ARG A 123 6.956 18.232 22.302 1.00 0.10 C HETATM 944 C ARG A 123 6.050 17.034 22.052 1.00 0.06 C HETATM 945 O ARG A 123 6.475 15.990 21.520 1.00 -0.57 O HETATM 946 OXT ARG A 123 4.865 17.124 22.394 1.00 -0.57 O HETATM 947 CB ARG A 123 6.416 19.423 21.477 1.00 -0.01 C HETATM 948 CG1 ARG A 123 6.474 19.133 19.975 1.00 -0.05 C HETATM 949 CD1 ARG A 123 5.845 20.235 19.117 1.00 -0.06 C HETATM 950 H ARG A 123 5.922 19.961 18.054 1.00 0.02 H HETATM 951 H ARG A 123 6.376 21.183 19.291 1.00 0.02 H HETATM 952 H ARG A 123 4.786 20.352 19.390 1.00 0.02 H HETATM 953 H ARG A 123 5.939 18.192 19.781 1.00 0.03 H HETATM 954 H ARG A 123 7.528 19.022 19.682 1.00 0.03 H HETATM 955 CG2 ARG A 123 7.178 20.702 21.800 1.00 -0.06 C HETATM 956 H ARG A 123 7.127 20.896 22.881 1.00 0.02 H HETATM 957 H ARG A 123 6.728 21.545 21.255 1.00 0.02 H HETATM 958 H ARG A 123 8.229 20.589 21.497 1.00 0.02 H HETATM 959 H ARG A 123 5.362 19.575 21.753 1.00 0.03 H HETATM 960 H ARG A 123 6.894 18.493 23.369 1.00 0.07 H HETATM 961 H ARG A 123 8.579 17.384 21.204 1.00 0.19 H HETATM 962 CB ARG A 123 11.471 17.182 23.209 1.00 -0.00 C HETATM 963 CG1 ARG A 123 12.936 16.982 22.808 1.00 -0.05 C HETATM 964 CD1 ARG A 123 13.802 16.430 23.928 1.00 -0.06 C HETATM 965 H ARG A 123 14.835 16.313 23.569 1.00 0.02 H HETATM 966 H ARG A 123 13.412 15.452 24.245 1.00 0.02 H HETATM 967 H ARG A 123 13.786 17.125 24.780 1.00 0.02 H HETATM 968 H ARG A 123 13.347 17.953 22.497 1.00 0.03 H HETATM 969 H ARG A 123 12.973 16.280 21.962 1.00 0.03 H HETATM 970 CG2 ARG A 123 10.738 15.869 23.263 1.00 -0.06 C HETATM 971 H ARG A 123 9.692 16.045 23.553 1.00 0.02 H HETATM 972 H ARG A 123 11.218 15.211 24.003 1.00 0.02 H HETATM 973 H ARG A 123 10.769 15.391 22.273 1.00 0.02 H HETATM 974 H ARG A 123 11.454 17.620 24.218 1.00 0.03 H HETATM 975 H ARG A 123 10.747 17.749 21.234 1.00 0.08 H HETATM 976 H ARG A 123 11.913 19.759 23.081 1.00 0.19 H HETATM 977 CB ARG A 123 10.952 22.630 21.531 1.00 0.08 C HETATM 978 OG ARG A 123 11.457 23.915 21.846 1.00 -0.39 O HETATM 979 H ARG A 123 10.734 24.525 21.937 1.00 0.21 H HETATM 980 H ARG A 123 10.281 22.303 22.339 1.00 0.06 H HETATM 981 H ARG A 123 10.388 22.690 20.588 1.00 0.06 H HETATM 982 H ARG A 123 12.685 21.600 22.286 1.00 0.08 H HETATM 983 H ARG A 123 12.546 21.883 19.316 1.00 0.19 H HETATM 984 CB ARG A 123 15.899 21.163 18.972 1.00 0.09 C HETATM 985 OG1 ARG A 123 16.653 21.279 17.762 1.00 -0.39 O HETATM 986 H ARG A 123 17.205 22.051 17.807 1.00 0.21 H HETATM 987 CG2 ARG A 123 15.050 19.902 18.894 1.00 -0.03 C HETATM 988 H ARG A 123 15.704 19.027 18.766 1.00 0.03 H HETATM 989 H ARG A 123 14.363 19.975 18.038 1.00 0.03 H HETATM 990 H ARG A 123 14.469 19.793 19.822 1.00 0.03 H HETATM 991 H ARG A 123 16.587 21.083 19.827 1.00 0.06 H HETATM 992 H ARG A 123 14.366 22.517 18.276 1.00 0.08 H HETATM 993 H ARG A 123 16.373 23.721 20.141 1.00 0.19 H HETATM 994 CB ARG A 123 15.555 26.866 19.308 1.00 -0.01 C HETATM 995 CG ARG A 123 15.099 27.599 18.097 1.00 -0.03 C HETATM 996 CD ARG A 123 16.332 27.729 17.240 1.00 0.04 C HETATM 997 H ARG A 123 16.072 27.730 16.171 1.00 0.05 H HETATM 998 H ARG A 123 16.887 28.647 17.483 1.00 0.05 H HETATM 999 H ARG A 123 14.709 28.591 18.368 1.00 0.03 H HETATM 1000 H ARG A 123 14.319 27.030 17.570 1.00 0.03 H HETATM 1001 H ARG A 123 16.031 27.552 20.024 1.00 0.03 H HETATM 1002 H ARG A 123 14.712 26.355 19.795 1.00 0.03 H HETATM 1003 H ARG A 123 17.356 25.638 19.509 1.00 0.08 H HETATM 1004 CB ARG A 123 18.176 26.029 14.452 1.00 -0.01 C HETATM 1005 CG ARG A 123 18.261 26.738 13.102 1.00 -0.04 C HETATM 1006 CD1 ARG A 123 18.121 25.736 11.968 1.00 -0.06 C HETATM 1007 H ARG A 123 18.184 26.262 11.004 1.00 0.02 H HETATM 1008 H ARG A 123 17.148 25.228 12.045 1.00 0.02 H HETATM 1009 H ARG A 123 18.929 24.993 12.034 1.00 0.02 H HETATM 1010 CD2 ARG A 123 17.200 27.813 13.002 1.00 -0.06 C HETATM 1011 H ARG A 123 17.321 28.526 13.831 1.00 0.02 H HETATM 1012 H ARG A 123 16.203 27.351 13.058 1.00 0.02 H HETATM 1013 H ARG A 123 17.305 28.344 12.044 1.00 0.02 H HETATM 1014 H ARG A 123 19.248 27.217 13.022 1.00 0.03 H HETATM 1015 H ARG A 123 17.131 25.716 14.597 1.00 0.03 H HETATM 1016 H ARG A 123 18.821 25.140 14.401 1.00 0.03 H HETATM 1017 H ARG A 123 18.059 27.791 15.671 1.00 0.08 H HETATM 1018 H ARG A 123 20.665 26.354 15.473 1.00 0.19 H HETATM 1019 CB ARG A 123 22.423 28.763 14.278 1.00 0.01 C HETATM 1020 CG ARG A 123 22.302 30.212 13.851 1.00 -0.01 C HETATM 1021 CD ARG A 123 23.514 30.654 13.039 1.00 0.06 C HETATM 1022 NE ARG A 123 24.737 30.670 13.840 1.00 -0.27 N HETATM 1023 CZ ARG A 123 25.489 31.746 14.058 1.00 0.29 C HETATM 1024 NH1 ARG A 123 26.585 31.654 14.805 1.00 -0.28 N HETATM 1025 H ARG A 123 27.166 32.488 14.973 1.00 0.26 H HETATM 1026 H ARG A 123 26.854 30.749 15.216 1.00 0.26 H HETATM 1027 NH2 ARG A 123 25.152 32.912 13.525 1.00 -0.28 N HETATM 1028 H ARG A 123 24.304 32.987 12.946 1.00 0.26 H HETATM 1029 H ARG A 123 25.738 33.742 13.690 1.00 0.26 H HETATM 1030 H ARG A 123 25.039 29.783 14.267 1.00 0.26 H HETATM 1031 H ARG A 123 23.331 31.667 12.651 1.00 0.07 H HETATM 1032 H ARG A 123 23.650 29.958 12.198 1.00 0.07 H HETATM 1033 H ARG A 123 22.222 30.844 14.748 1.00 0.03 H HETATM 1034 H ARG A 123 21.397 30.330 13.237 1.00 0.03 H HETATM 1035 H ARG A 123 21.782 28.154 13.623 1.00 0.03 H HETATM 1036 H ARG A 123 23.471 28.453 14.156 1.00 0.03 H HETATM 1037 H ARG A 123 22.305 29.378 16.332 1.00 0.11 H HETATM 1038 H ARG A 123 23.692 27.461 16.170 1.00 0.20 H HETATM 1039 H ARG A 123 22.419 26.520 15.720 1.00 0.20 H HETATM 1040 H ARG A 123 22.450 27.202 17.218 1.00 0.20 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 918 919 1038 1039 1040 CONECT 919 918 920 1019 1037 CONECT 920 919 921 922 CONECT 921 920 CONECT 922 920 923 1018 CONECT 923 922 924 1004 1017 CONECT 924 923 925 926 CONECT 925 924 CONECT 926 924 927 996 CONECT 927 926 928 994 1003 CONECT 928 927 929 930 CONECT 929 928 CONECT 930 928 931 993 CONECT 931 930 932 984 992 CONECT 932 931 933 934 CONECT 933 932 CONECT 934 932 935 983 CONECT 935 934 936 977 982 CONECT 936 935 937 938 CONECT 937 936 CONECT 938 936 939 976 CONECT 939 938 940 962 975 CONECT 940 939 941 942 CONECT 941 940 CONECT 942 940 943 961 CONECT 943 942 944 947 960 CONECT 944 943 945 946 CONECT 945 944 CONECT 946 944 CONECT 947 943 948 955 959 CONECT 948 947 949 953 954 CONECT 949 948 950 951 952 CONECT 950 949 CONECT 951 949 CONECT 952 949 CONECT 953 948 CONECT 954 948 CONECT 955 947 956 957 958 CONECT 956 955 CONECT 957 955 CONECT 958 955 CONECT 959 947 CONECT 960 943 CONECT 961 942 CONECT 962 939 963 970 974 CONECT 963 962 964 968 969 CONECT 964 963 965 966 967 CONECT 965 964 CONECT 966 964 CONECT 967 964 CONECT 968 963 CONECT 969 963 CONECT 970 962 971 972 973 CONECT 971 970 CONECT 972 970 CONECT 973 970 CONECT 974 962 CONECT 975 939 CONECT 976 938 CONECT 977 935 978 980 981 CONECT 978 977 979 CONECT 979 978 CONECT 980 977 CONECT 981 977 CONECT 982 935 CONECT 983 934 CONECT 984 931 985 987 991 CONECT 985 984 986 CONECT 986 985 CONECT 987 984 988 989 990 CONECT 988 987 CONECT 989 987 CONECT 990 987 CONECT 991 984 CONECT 992 931 CONECT 993 930 CONECT 994 927 995 1001 1002 CONECT 995 994 996 999 1000 CONECT 996 926 995 997 998 CONECT 997 996 CONECT 998 996 CONECT 999 995 CONECT 1000 995 CONECT 1001 994 CONECT 1002 994 CONECT 1003 927 CONECT 1004 923 1005 1015 1016 CONECT 1005 1004 1006 1010 1014 CONECT 1006 1005 1007 1008 1009 CONECT 1007 1006 CONECT 1008 1006 CONECT 1009 1006 CONECT 1010 1005 1011 1012 1013 CONECT 1011 1010 CONECT 1012 1010 CONECT 1013 1010 CONECT 1014 1005 CONECT 1015 1004 CONECT 1016 1004 CONECT 1017 923 CONECT 1018 922 CONECT 1019 919 1020 1035 1036 CONECT 1020 1019 1021 1033 1034 CONECT 1021 1020 1022 1031 1032 CONECT 1022 1021 1023 1030 CONECT 1023 1022 1024 1027 CONECT 1024 1023 1025 1026 CONECT 1025 1024 CONECT 1026 1024 CONECT 1027 1023 1028 1029 CONECT 1028 1027 CONECT 1029 1027 CONECT 1030 1022 CONECT 1031 1021 CONECT 1032 1021 CONECT 1033 1020 CONECT 1034 1020 CONECT 1035 1019 CONECT 1036 1019 CONECT 1037 919 CONECT 1038 918 CONECT 1039 918 CONECT 1040 918 MASTER 0 0 0 0 0 0 0 0 1039 1 127 7 END
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Related entries of code: 4jof
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%
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%
4k75
RCSB PDB
PDBbind
87aa, >4K75_1|Chain... 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
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
4k75
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
4jof
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
1.2(Å)
Affinity (Kd/Ki/IC50)
Ki=68uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Structure Vol. 22: pp. 82-93
Ligand Properties
Formula
C
3
6
H
6
8
N
1
0
O
1
0
Molecular Weight
800.986
Exact Mass
800.512
No. of atoms
124
No. of bonds
124
Polar Surface Area
337.22
LOGP Value
-0.13 (
Computed with XLOGP3
)
-1.96 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 8
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 31
No. of Nitrogen and Oxygen Atoms: 20
No. of Rings: 1
Canonical SMILES
OC[C@@H](C(=O)N[C@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)O)[C@H](CC)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC[NH+]=C(N)N)[NH3+])CC(C)C
InChI String
InChI=1S/C36H66N10O10/c1-8-19(5)26(32(52)44-27(35(55)56)20(6)9-2)43-30(50)24(17-47)42-33(53)28(21(7)48)45-31(51)25-13-11-15-46(25)34(54)23(16-18(3)4)41-29(49)22(37)12-10-14-40-36(38)39/h18-28,47-48H,8-17,37H2,1-7H3,(H,41,49)(H,42,53)(H,43,50)(H,44,52)(H,45,51)(H,55,56)(H4,38,39,40)/p+2/t19-,20-,21+,22-,23-,24-,25-,26-,27-,28-/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):
Q9HD26
Entrez Gene ID
NCBI Entrez Gene ID:
57120
ASD
Information of known allosteric effects of PDB entries
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