Browse entries in the PDBbind-CN Database
HEADER 4GS9_COMPLEX COMPND 4GS9_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 92 PHE LYS GLY LEU ASP SER LYS THR PHE LEU SER GLU HIS SEQRES 2 A 92 SER MET ASP MET LYS PHE THR TYR CYS ASP ASP ARG ILE SEQRES 3 A 92 THR GLU LEU ILE GLY TYR HIS PRO GLU GLU LEU LEU GLY SEQRES 4 A 92 ARG SER ALA TYR GLU PHE TYR HIS ALA LEU ASP SER GLU SEQRES 5 A 92 ASN MET THR LYS SER HIS GLN ASN LEU CYS THR LYS GLY SEQRES 6 A 92 GLN VAL VAL SER GLY GLN TYR ARG MET LEU ALA LYS HIS SEQRES 7 A 92 GLY GLY TYR VAL TRP LEU GLU THR GLN GLY THR VAL ILE SEQRES 8 A 92 TYR SEQRES 1 A 15 PRO GLN CYS ILE MET CYS VAL ASN TYR VAL LEU SER GLU SEQRES 2 A 15 ILE GLU HET MOL A 148 27 ATOM 1 N PHE A 0 29.392 -56.242 -2.007 1.00 58.97 N ATOM 2 CA PHE A 0 27.911 -56.452 -2.032 1.00 55.78 C ATOM 3 C PHE A 0 27.423 -56.850 -0.641 1.00 47.95 C ATOM 4 O PHE A 0 28.041 -57.677 0.024 1.00 67.97 O ATOM 5 CB PHE A 0 27.535 -57.526 -3.082 1.00 56.93 C ATOM 6 CG PHE A 0 26.045 -57.762 -3.214 1.00 53.89 C ATOM 7 CD1 PHE A 0 25.213 -56.783 -3.742 1.00 54.64 C ATOM 8 CD2 PHE A 0 25.478 -58.963 -2.813 1.00 63.34 C ATOM 9 CE1 PHE A 0 23.838 -56.995 -3.861 1.00 52.15 C ATOM 10 CE2 PHE A 0 24.110 -59.179 -2.937 1.00 63.26 C ATOM 11 CZ PHE A 0 23.292 -58.186 -3.457 1.00 50.30 C ATOM 12 HN3 PHE A 0 29.861 -57.123 -1.716 1.00 0.00 H ATOM 13 HN2 PHE A 0 29.622 -55.486 -1.331 1.00 0.00 H ATOM 14 HN1 PHE A 0 29.719 -55.971 -2.957 1.00 0.00 H ATOM 15 N LYS A 1 26.320 -56.251 -0.203 1.00 59.60 N ATOM 16 CA LYS A 1 25.781 -56.507 1.132 1.00 57.31 C ATOM 17 C LYS A 1 24.452 -57.269 1.100 1.00 55.54 C ATOM 18 O LYS A 1 23.575 -56.978 0.287 1.00 46.03 O ATOM 19 CB LYS A 1 25.603 -55.186 1.885 1.00 51.25 C ATOM 20 CG LYS A 1 26.731 -54.868 2.856 1.00 51.18 C ATOM 21 CD LYS A 1 26.510 -53.523 3.540 1.00 55.24 C ATOM 22 CE LYS A 1 27.218 -53.445 4.884 1.00 49.61 C ATOM 23 NZ LYS A 1 28.698 -53.363 4.751 1.00 50.59 N ATOM 24 HZ1 LYS A 1 29.048 -54.208 4.255 1.00 0.00 H ATOM 25 HZ2 LYS A 1 28.949 -52.512 4.208 1.00 0.00 H ATOM 26 HZ3 LYS A 1 29.128 -53.312 5.697 1.00 0.00 H ATOM 27 H LYS A 1 25.827 -55.581 -0.827 1.00 0.00 H ATOM 28 N GLY A 2 24.317 -58.251 1.990 1.00 61.25 N ATOM 29 CA GLY A 2 23.075 -58.994 2.138 1.00 58.01 C ATOM 30 C GLY A 2 21.962 -58.112 2.678 1.00 40.91 C ATOM 31 O GLY A 2 22.228 -57.039 3.207 1.00 45.00 O ATOM 32 H GLY A 2 25.125 -58.494 2.598 1.00 0.00 H ATOM 33 N LEU A 239 20.715 -58.565 2.534 1.00 41.65 N ATOM 34 CA LEU A 239 19.544 -57.778 2.926 1.00 40.01 C ATOM 35 C LEU A 239 19.590 -57.389 4.382 1.00 34.16 C ATOM 36 O LEU A 239 19.455 -56.219 4.731 1.00 35.52 O ATOM 37 CB LEU A 239 18.255 -58.576 2.691 1.00 41.42 C ATOM 38 CG LEU A 239 17.876 -58.907 1.249 1.00 46.54 C ATOM 39 CD1 LEU A 239 16.585 -59.718 1.252 1.00 55.75 C ATOM 40 CD2 LEU A 239 17.722 -57.655 0.399 1.00 42.01 C ATOM 41 H LEU A 239 20.570 -59.512 2.129 1.00 0.00 H ATOM 42 N ASP A 240 19.757 -58.388 5.239 1.00 50.60 N ATOM 43 CA ASP A 240 19.788 -58.134 6.667 1.00 46.73 C ATOM 44 C ASP A 240 20.818 -57.047 6.992 1.00 35.58 C ATOM 45 O ASP A 240 20.600 -56.242 7.887 1.00 38.78 O ATOM 46 CB ASP A 240 20.100 -59.414 7.445 1.00 46.80 C ATOM 47 CG ASP A 240 20.071 -59.196 8.952 1.00 57.85 C ATOM 48 OD1 ASP A 240 18.974 -58.941 9.499 1.00 51.75 O ATOM 49 OD2 ASP A 240 21.145 -59.274 9.587 1.00 65.89 O ATOM 50 H ASP A 240 19.866 -59.360 4.885 1.00 0.00 H ATOM 51 N SER A 241 21.923 -57.018 6.249 1.00 32.21 N ATOM 52 CA SER A 241 23.030 -56.144 6.617 1.00 32.33 C ATOM 53 C SER A 241 22.792 -54.689 6.243 1.00 29.12 C ATOM 54 O SER A 241 23.512 -53.823 6.709 1.00 37.34 O ATOM 55 CB SER A 241 24.355 -56.631 6.016 1.00 37.77 C ATOM 56 OG SER A 241 24.444 -56.361 4.627 1.00 46.73 O ATOM 57 HG SER A 241 23.704 -56.819 4.155 1.00 0.00 H ATOM 58 H SER A 241 21.996 -57.620 5.404 1.00 0.00 H ATOM 59 N LYS A 242 21.799 -54.414 5.400 1.00 29.21 N ATOM 60 CA LYS A 242 21.540 -53.026 5.002 1.00 30.77 C ATOM 61 C LYS A 242 20.332 -52.445 5.710 1.00 37.71 C ATOM 62 O LYS A 242 19.873 -51.360 5.365 1.00 29.66 O ATOM 63 CB LYS A 242 21.350 -52.910 3.487 1.00 33.43 C ATOM 64 CG LYS A 242 22.671 -52.770 2.721 1.00 38.85 C ATOM 65 CD LYS A 242 22.452 -52.544 1.219 1.00 51.03 C ATOM 66 CE LYS A 242 21.637 -53.652 0.577 1.00 41.37 C ATOM 67 NZ LYS A 242 21.796 -53.678 -0.920 1.00 47.79 N ATOM 68 HZ1 LYS A 242 21.479 -52.770 -1.317 1.00 0.00 H ATOM 69 HZ2 LYS A 242 22.797 -53.831 -1.159 1.00 0.00 H ATOM 70 HZ3 LYS A 242 21.222 -54.450 -1.315 1.00 0.00 H ATOM 71 H LYS A 242 21.208 -55.182 5.024 1.00 0.00 H ATOM 72 N THR A 243 19.817 -53.161 6.701 1.00 23.99 N ATOM 73 CA THR A 243 18.648 -52.695 7.416 1.00 22.25 C ATOM 74 C THR A 243 19.018 -52.453 8.860 1.00 23.57 C ATOM 75 O THR A 243 19.798 -53.199 9.426 1.00 25.93 O ATOM 76 CB THR A 243 17.523 -53.740 7.347 1.00 23.46 C ATOM 77 OG1 THR A 243 17.225 -54.035 5.970 1.00 28.29 O ATOM 78 CG2 THR A 243 16.288 -53.240 8.051 1.00 22.79 C ATOM 79 HG1 THR A 243 16.500 -54.708 5.927 1.00 0.00 H ATOM 80 H THR A 243 20.257 -54.065 6.966 1.00 0.00 H ATOM 81 N PHE A 244 18.486 -51.392 9.461 1.00 22.23 N ATOM 82 CA PHE A 244 18.618 -51.212 10.909 1.00 20.54 C ATOM 83 C PHE A 244 17.313 -50.716 11.481 1.00 19.74 C ATOM 84 O PHE A 244 16.571 -50.000 10.818 1.00 19.60 O ATOM 85 CB PHE A 244 19.768 -50.251 11.285 1.00 20.55 C ATOM 86 CG PHE A 244 19.619 -48.845 10.749 1.00 22.85 C ATOM 87 CD1 PHE A 244 19.158 -47.814 11.577 1.00 19.88 C ATOM 88 CD2 PHE A 244 19.964 -48.538 9.437 1.00 23.39 C ATOM 89 CE1 PHE A 244 19.038 -46.520 11.097 1.00 21.77 C ATOM 90 CE2 PHE A 244 19.839 -47.244 8.947 1.00 22.80 C ATOM 91 CZ PHE A 244 19.390 -46.226 9.787 1.00 21.97 C ATOM 92 H PHE A 244 17.972 -50.684 8.898 1.00 0.00 H ATOM 93 N LEU A 245 17.032 -51.124 12.715 1.00 18.85 N ATOM 94 CA LEU A 245 15.824 -50.707 13.402 1.00 18.07 C ATOM 95 C LEU A 245 16.104 -49.500 14.283 1.00 17.22 C ATOM 96 O LEU A 245 17.158 -49.421 14.897 1.00 19.91 O ATOM 97 CB LEU A 245 15.337 -51.838 14.304 1.00 19.92 C ATOM 98 CG LEU A 245 15.148 -53.192 13.618 1.00 23.74 C ATOM 99 CD1 LEU A 245 14.792 -54.254 14.658 1.00 27.72 C ATOM 100 CD2 LEU A 245 14.083 -53.071 12.551 1.00 28.42 C ATOM 101 H LEU A 245 17.696 -51.760 13.201 1.00 0.00 H ATOM 102 N SER A 246 15.159 -48.562 14.342 1.00 16.88 N ATOM 103 CA SER A 246 15.273 -47.483 15.311 1.00 16.39 C ATOM 104 C SER A 246 13.917 -47.224 15.953 1.00 18.67 C ATOM 105 O SER A 246 12.873 -47.588 15.421 1.00 20.20 O ATOM 106 CB SER A 246 15.838 -46.211 14.678 1.00 18.86 C ATOM 107 OG SER A 246 15.025 -45.750 13.619 1.00 16.79 O ATOM 108 HG SER A 246 14.118 -45.552 13.963 1.00 0.00 H ATOM 109 H SER A 246 14.343 -48.601 13.698 1.00 0.00 H ATOM 110 N GLU A 247 13.956 -46.638 17.142 1.00 15.49 N ATOM 111 CA GLU A 247 12.747 -46.256 17.859 1.00 15.28 C ATOM 112 C GLU A 247 12.898 -44.788 18.179 1.00 14.64 C ATOM 113 O GLU A 247 14.023 -44.322 18.419 1.00 17.45 O ATOM 114 CB GLU A 247 12.654 -47.012 19.166 1.00 18.83 C ATOM 115 CG GLU A 247 11.357 -46.856 19.885 1.00 17.78 C ATOM 116 CD GLU A 247 11.438 -47.456 21.278 1.00 20.17 C ATOM 117 OE1 GLU A 247 11.036 -48.625 21.478 1.00 23.59 O ATOM 118 OE2 GLU A 247 11.942 -46.753 22.177 1.00 27.71 O ATOM 119 H GLU A 247 14.881 -46.445 17.577 1.00 0.00 H ATOM 120 N HIS A 248 11.776 -44.083 18.164 1.00 17.65 N ATOM 121 CA HIS A 248 11.760 -42.626 18.331 1.00 14.73 C ATOM 122 C HIS A 248 10.604 -42.228 19.215 1.00 15.33 C ATOM 123 O HIS A 248 9.564 -42.889 19.239 1.00 17.46 O ATOM 124 CB HIS A 248 11.590 -41.920 16.974 1.00 14.24 C ATOM 125 CG HIS A 248 12.632 -42.290 15.961 1.00 14.64 C ATOM 126 ND1 HIS A 248 13.722 -41.498 15.670 1.00 19.07 N ATOM 127 CD2 HIS A 248 12.760 -43.403 15.193 1.00 17.90 C ATOM 128 CE1 HIS A 248 14.473 -42.094 14.757 1.00 16.42 C ATOM 129 NE2 HIS A 248 13.908 -43.249 14.445 1.00 16.89 N ATOM 130 H HIS A 248 10.873 -44.581 18.029 1.00 0.00 H ATOM 131 N SER A 249 10.761 -41.134 19.961 1.00 18.05 N ATOM 132 CA SER A 249 9.594 -40.535 20.572 1.00 24.98 C ATOM 133 C SER A 249 8.789 -39.844 19.460 1.00 19.86 C ATOM 134 O SER A 249 9.210 -39.863 18.295 1.00 20.09 O ATOM 135 CB SER A 249 10.013 -39.586 21.694 1.00 23.50 C ATOM 136 OG SER A 249 11.196 -38.896 21.347 1.00 28.93 O ATOM 137 HG SER A 249 11.040 -38.370 20.523 1.00 0.00 H ATOM 138 H SER A 249 11.704 -40.719 20.101 1.00 0.00 H ATOM 139 N MET A 250 7.632 -39.279 19.799 1.00 21.70 N ATOM 140 CA MET A 250 6.703 -38.800 18.778 1.00 27.99 C ATOM 141 C MET A 250 7.245 -37.552 18.074 1.00 29.70 C ATOM 142 O MET A 250 6.784 -37.194 16.986 1.00 31.22 O ATOM 143 CB MET A 250 5.320 -38.537 19.370 1.00 28.47 C ATOM 144 CG MET A 250 4.606 -39.776 19.901 1.00 29.41 C ATOM 145 SD MET A 250 4.592 -41.145 18.698 1.00 28.14 S ATOM 146 CE MET A 250 3.633 -40.461 17.347 1.00 27.88 C ATOM 147 H MET A 250 7.386 -39.177 20.804 1.00 0.00 H ATOM 148 N ASP A 251 8.253 -36.933 18.682 1.00 24.55 N ATOM 149 CA ASP A 251 8.930 -35.773 18.081 1.00 23.80 C ATOM 150 C ASP A 251 10.143 -36.184 17.243 1.00 26.65 C ATOM 151 O ASP A 251 10.937 -35.331 16.831 1.00 27.05 O ATOM 152 CB ASP A 251 9.368 -34.806 19.179 1.00 31.58 C ATOM 153 CG ASP A 251 10.227 -35.471 20.228 1.00 32.65 C ATOM 154 OD1 ASP A 251 10.694 -36.611 20.003 1.00 30.80 O ATOM 155 OD2 ASP A 251 10.449 -34.852 21.289 1.00 35.96 O ATOM 156 H ASP A 251 8.572 -37.279 19.609 1.00 0.00 H ATOM 157 N MET A 252 10.245 -37.498 17.019 1.00 20.38 N ATOM 158 CA MET A 252 11.277 -38.164 16.216 1.00 19.71 C ATOM 159 C MET A 252 12.685 -38.160 16.822 1.00 17.11 C ATOM 160 O MET A 252 13.663 -38.447 16.135 1.00 16.52 O ATOM 161 CB MET A 252 11.299 -37.661 14.763 1.00 23.33 C ATOM 162 CG MET A 252 10.173 -38.229 13.885 1.00 18.49 C ATOM 163 SD MET A 252 10.119 -40.030 13.711 1.00 17.41 S ATOM 164 CE MET A 252 11.647 -40.335 12.826 1.00 33.02 C ATOM 165 H MET A 252 9.524 -38.107 17.456 1.00 0.00 H ATOM 166 N LYS A 253 12.796 -37.872 18.113 1.00 19.65 N ATOM 167 CA LYS A 253 14.073 -38.060 18.807 1.00 19.19 C ATOM 168 C LYS A 253 14.362 -39.557 18.940 1.00 18.26 C ATOM 169 O LYS A 253 13.467 -40.327 19.287 1.00 19.17 O ATOM 170 CB LYS A 253 14.024 -37.424 20.200 1.00 21.42 C ATOM 171 CG LYS A 253 14.233 -35.961 20.243 1.00 28.14 C ATOM 172 CD LYS A 253 14.006 -35.489 21.675 1.00 37.30 C ATOM 173 CE LYS A 253 14.477 -34.084 21.906 1.00 49.32 C ATOM 174 NZ LYS A 253 14.208 -33.736 23.330 1.00 57.73 N ATOM 175 HZ1 LYS A 253 13.187 -33.808 23.516 1.00 0.00 H ATOM 176 HZ2 LYS A 253 14.722 -34.394 23.950 1.00 0.00 H ATOM 177 HZ3 LYS A 253 14.527 -32.763 23.514 1.00 0.00 H ATOM 178 H LYS A 253 11.972 -37.511 18.635 1.00 0.00 H ATOM 179 N PHE A 254 15.598 -39.980 18.669 1.00 18.00 N ATOM 180 CA PHE A 254 15.950 -41.379 18.853 1.00 18.50 C ATOM 181 C PHE A 254 15.821 -41.763 20.319 1.00 18.52 C ATOM 182 O PHE A 254 16.297 -41.039 21.200 1.00 21.55 O ATOM 183 CB PHE A 254 17.382 -41.673 18.419 1.00 24.19 C ATOM 184 CG PHE A 254 17.590 -41.747 16.924 1.00 18.53 C ATOM 185 CD1 PHE A 254 17.546 -42.975 16.262 1.00 18.08 C ATOM 186 CD2 PHE A 254 17.885 -40.597 16.194 1.00 20.29 C ATOM 187 CE1 PHE A 254 17.761 -43.040 14.903 1.00 19.74 C ATOM 188 CE2 PHE A 254 18.109 -40.660 14.832 1.00 20.64 C ATOM 189 CZ PHE A 254 18.044 -41.894 14.184 1.00 18.94 C ATOM 190 H PHE A 254 16.312 -39.307 18.325 1.00 0.00 H ATOM 191 N THR A 255 15.187 -42.902 20.561 1.00 18.96 N ATOM 192 CA THR A 255 15.162 -43.534 21.878 1.00 23.25 C ATOM 193 C THR A 255 15.860 -44.904 21.857 1.00 24.93 C ATOM 194 O THR A 255 16.189 -45.458 22.901 1.00 23.37 O ATOM 195 CB THR A 255 13.723 -43.676 22.398 1.00 20.45 C ATOM 196 OG1 THR A 255 12.932 -44.388 21.444 1.00 23.47 O ATOM 197 CG2 THR A 255 13.120 -42.306 22.615 1.00 28.68 C ATOM 198 HG1 THR A 255 13.320 -45.288 21.301 1.00 0.00 H ATOM 199 H THR A 255 14.685 -43.367 19.778 1.00 0.00 H ATOM 200 N TYR A 256 16.114 -45.427 20.662 1.00 19.70 N ATOM 201 CA TYR A 256 16.842 -46.676 20.486 1.00 19.38 C ATOM 202 C TYR A 256 17.336 -46.757 19.049 1.00 22.04 C ATOM 203 O TYR A 256 16.658 -46.312 18.138 1.00 18.71 O ATOM 204 CB TYR A 256 15.956 -47.899 20.809 1.00 20.31 C ATOM 205 CG TYR A 256 16.628 -49.189 20.417 1.00 21.21 C ATOM 206 CD1 TYR A 256 16.402 -49.760 19.177 1.00 24.87 C ATOM 207 CD2 TYR A 256 17.540 -49.800 21.268 1.00 24.62 C ATOM 208 CE1 TYR A 256 17.040 -50.905 18.802 1.00 24.19 C ATOM 209 CE2 TYR A 256 18.184 -50.954 20.902 1.00 26.52 C ATOM 210 CZ TYR A 256 17.935 -51.497 19.663 1.00 35.01 C ATOM 211 OH TYR A 256 18.570 -52.645 19.281 1.00 40.37 O ATOM 212 HH TYR A 256 18.278 -52.895 18.369 1.00 0.00 H ATOM 213 H TYR A 256 15.779 -44.923 19.816 1.00 0.00 H ATOM 214 N CYS A 257 18.529 -47.295 18.835 1.00 19.33 N ATOM 215 CA CYS A 257 18.956 -47.634 17.485 1.00 18.01 C ATOM 216 C CYS A 257 19.779 -48.918 17.519 1.00 24.10 C ATOM 217 O CYS A 257 20.577 -49.113 18.425 1.00 24.75 O ATOM 218 CB CYS A 257 19.742 -46.478 16.853 1.00 23.80 C ATOM 219 SG CYS A 257 19.982 -46.686 15.068 1.00 24.27 S ATOM 220 H CYS A 257 19.165 -47.476 19.638 1.00 0.00 H ATOM 221 N ASP A 258 19.567 -49.814 16.561 1.00 20.68 N ATOM 222 CA ASP A 258 20.354 -51.046 16.551 1.00 24.64 C ATOM 223 C ASP A 258 21.744 -50.830 15.927 1.00 23.83 C ATOM 224 O ASP A 258 21.961 -49.905 15.140 1.00 28.69 O ATOM 225 CB ASP A 258 19.532 -52.248 16.005 1.00 41.98 C ATOM 226 CG ASP A 258 19.889 -52.662 14.580 1.00 41.29 C ATOM 227 OD1 ASP A 258 21.080 -52.694 14.230 1.00 53.77 O ATOM 228 OD2 ASP A 258 18.952 -53.019 13.824 1.00 25.44 O ATOM 229 H ASP A 258 18.850 -49.641 15.828 1.00 0.00 H ATOM 230 N ASP A 259 22.694 -51.669 16.325 1.00 33.02 N ATOM 231 CA ASP A 259 24.102 -51.414 16.033 1.00 32.76 C ATOM 232 C ASP A 259 24.465 -51.537 14.556 1.00 32.00 C ATOM 233 O ASP A 259 25.558 -51.140 14.167 1.00 33.46 O ATOM 234 CB ASP A 259 24.995 -52.359 16.841 1.00 42.72 C ATOM 235 CG ASP A 259 24.936 -52.091 18.338 1.00 57.61 C ATOM 236 OD1 ASP A 259 25.415 -51.023 18.771 1.00 58.36 O ATOM 237 OD2 ASP A 259 24.433 -52.960 19.086 1.00 65.58 O ATOM 238 H ASP A 259 22.430 -52.524 16.855 1.00 0.00 H ATOM 239 N ARG A 260 23.576 -52.100 13.740 1.00 31.09 N ATOM 240 CA ARG A 260 23.847 -52.187 12.310 1.00 31.33 C ATOM 241 C ARG A 260 24.086 -50.811 11.700 1.00 36.38 C ATOM 242 O ARG A 260 24.676 -50.713 10.621 1.00 30.24 O ATOM 243 CB ARG A 260 22.722 -52.901 11.556 1.00 30.99 C ATOM 244 CG ARG A 260 22.794 -54.424 11.624 1.00 38.23 C ATOM 245 CD ARG A 260 21.606 -55.086 10.924 1.00 38.13 C ATOM 246 NE ARG A 260 20.342 -54.832 11.618 1.00 37.79 N ATOM 247 CZ ARG A 260 19.156 -55.308 11.233 1.00 38.91 C ATOM 248 NH1 ARG A 260 19.054 -56.072 10.151 1.00 42.81 N ATOM 249 NH2 ARG A 260 18.067 -55.020 11.935 1.00 37.92 N ATOM 250 HE ARG A 260 20.370 -54.239 12.472 1.00 0.00 H ATOM 251 HH12 ARG A 260 18.126 -56.438 9.859 1.00 0.00 H ATOM 252 HH11 ARG A 260 19.903 -56.304 9.596 1.00 0.00 H ATOM 253 HH22 ARG A 260 17.142 -55.390 11.636 1.00 0.00 H ATOM 254 HH21 ARG A 260 18.138 -54.424 12.784 1.00 0.00 H ATOM 255 H ARG A 260 22.686 -52.478 14.124 1.00 0.00 H ATOM 256 N ILE A 261 23.632 -49.748 12.371 1.00 25.32 N ATOM 257 CA ILE A 261 23.752 -48.418 11.789 1.00 26.48 C ATOM 258 C ILE A 261 25.214 -47.992 11.734 1.00 29.23 C ATOM 259 O ILE A 261 25.621 -47.224 10.856 1.00 31.38 O ATOM 260 CB ILE A 261 22.961 -47.360 12.572 1.00 24.20 C ATOM 261 CG1 ILE A 261 22.850 -46.081 11.733 1.00 30.96 C ATOM 262 CG2 ILE A 261 23.597 -47.096 13.913 1.00 27.20 C ATOM 263 CD1 ILE A 261 22.011 -45.022 12.361 1.00 24.85 C ATOM 264 H ILE A 261 23.194 -49.870 13.306 1.00 0.00 H ATOM 265 N THR A 262 26.002 -48.490 12.679 1.00 26.49 N ATOM 266 CA THR A 262 27.422 -48.134 12.734 1.00 28.69 C ATOM 267 C THR A 262 28.142 -48.569 11.460 1.00 35.55 C ATOM 268 O THR A 262 28.895 -47.800 10.861 1.00 33.97 O ATOM 269 CB THR A 262 28.087 -48.777 13.945 1.00 32.43 C ATOM 270 OG1 THR A 262 27.330 -48.451 15.116 1.00 37.23 O ATOM 271 CG2 THR A 262 29.524 -48.279 14.103 1.00 38.25 C ATOM 272 HG1 THR A 262 27.306 -47.468 15.229 1.00 0.00 H ATOM 273 H THR A 262 25.607 -49.140 13.388 1.00 0.00 H ATOM 274 N GLU A 263 27.896 -49.805 11.050 1.00 37.17 N ATOM 275 CA GLU A 263 28.559 -50.399 9.892 1.00 46.93 C ATOM 276 C GLU A 263 28.117 -49.704 8.596 1.00 44.77 C ATOM 277 O GLU A 263 28.818 -49.754 7.588 1.00 51.20 O ATOM 278 CB GLU A 263 28.228 -51.903 9.801 1.00 53.57 C ATOM 279 CG GLU A 263 28.230 -52.657 11.148 1.00 65.28 C ATOM 280 CD GLU A 263 27.518 -54.020 11.097 1.00 65.49 C ATOM 281 OE1 GLU A 263 27.695 -54.819 12.040 1.00 68.58 O ATOM 282 OE2 GLU A 263 26.771 -54.293 10.132 1.00 65.13 O ATOM 283 H GLU A 263 27.202 -50.375 11.574 1.00 0.00 H ATOM 284 N LEU A 264 26.945 -49.075 8.628 1.00 32.19 N ATOM 285 CA LEU A 264 26.340 -48.480 7.436 1.00 30.53 C ATOM 286 C LEU A 264 26.605 -46.983 7.328 1.00 35.33 C ATOM 287 O LEU A 264 26.987 -46.501 6.266 1.00 36.60 O ATOM 288 CB LEU A 264 24.824 -48.708 7.442 1.00 29.01 C ATOM 289 CG LEU A 264 24.417 -50.175 7.285 1.00 35.92 C ATOM 290 CD1 LEU A 264 22.967 -50.400 7.679 1.00 32.23 C ATOM 291 CD2 LEU A 264 24.667 -50.660 5.846 1.00 30.80 C ATOM 292 H LEU A 264 26.440 -49.004 9.534 1.00 0.00 H ATOM 293 N ILE A 265 26.389 -46.264 8.430 1.00 34.49 N ATOM 294 CA ILE A 265 26.384 -44.802 8.424 1.00 36.35 C ATOM 295 C ILE A 265 27.408 -44.180 9.392 1.00 29.82 C ATOM 296 O ILE A 265 27.707 -42.987 9.314 1.00 32.39 O ATOM 297 CB ILE A 265 24.967 -44.281 8.736 1.00 39.94 C ATOM 298 CG1 ILE A 265 23.936 -45.044 7.891 1.00 43.30 C ATOM 299 CG2 ILE A 265 24.875 -42.791 8.474 1.00 44.61 C ATOM 300 CD1 ILE A 265 22.510 -44.601 8.099 1.00 40.89 C ATOM 301 H ILE A 265 26.218 -46.762 9.327 1.00 0.00 H ATOM 302 N GLY A 266 27.953 -44.979 10.300 1.00 35.07 N ATOM 303 CA GLY A 266 29.070 -44.535 11.115 1.00 34.96 C ATOM 304 C GLY A 266 28.725 -44.251 12.564 1.00 32.15 C ATOM 305 O GLY A 266 29.588 -44.312 13.429 1.00 39.58 O ATOM 306 H GLY A 266 27.574 -45.939 10.430 1.00 0.00 H ATOM 307 N TYR A 267 27.466 -43.931 12.837 1.00 28.57 N ATOM 308 CA TYR A 267 27.053 -43.553 14.183 1.00 30.03 C ATOM 309 C TYR A 267 27.036 -44.716 15.143 1.00 32.56 C ATOM 310 O TYR A 267 26.687 -45.834 14.768 1.00 31.96 O ATOM 311 CB TYR A 267 25.656 -42.945 14.161 1.00 25.44 C ATOM 312 CG TYR A 267 25.591 -41.742 13.268 1.00 25.29 C ATOM 313 CD1 TYR A 267 26.243 -40.561 13.619 1.00 29.54 C ATOM 314 CD2 TYR A 267 24.895 -41.782 12.063 1.00 28.69 C ATOM 315 CE1 TYR A 267 26.197 -39.451 12.789 1.00 29.80 C ATOM 316 CE2 TYR A 267 24.849 -40.672 11.229 1.00 24.44 C ATOM 317 CZ TYR A 267 25.493 -39.516 11.600 1.00 25.34 C ATOM 318 OH TYR A 267 25.458 -38.406 10.765 1.00 29.27 O ATOM 319 HH TYR A 267 25.863 -38.638 9.892 1.00 0.00 H ATOM 320 H TYR A 267 26.759 -43.950 12.074 1.00 0.00 H ATOM 321 N HIS A 268 27.399 -44.428 16.391 1.00 31.35 N ATOM 322 CA HIS A 268 27.124 -45.339 17.492 1.00 32.26 C ATOM 323 C HIS A 268 25.742 -44.990 18.012 1.00 30.29 C ATOM 324 O HIS A 268 25.414 -43.821 18.150 1.00 29.39 O ATOM 325 CB HIS A 268 28.171 -45.190 18.591 1.00 35.65 C ATOM 326 CG HIS A 268 29.489 -45.798 18.237 1.00 39.65 C ATOM 327 ND1 HIS A 268 30.533 -45.063 17.722 1.00 48.22 N ATOM 328 CD2 HIS A 268 29.926 -47.078 18.307 1.00 51.04 C ATOM 329 CE1 HIS A 268 31.559 -45.862 17.496 1.00 47.06 C ATOM 330 NE2 HIS A 268 31.220 -47.089 17.846 1.00 58.24 N ATOM 331 H HIS A 268 27.890 -43.532 16.583 1.00 0.00 H ATOM 332 N PRO A 269 24.906 -45.999 18.262 1.00 31.10 N ATOM 333 CA PRO A 269 23.555 -45.690 18.738 1.00 27.56 C ATOM 334 C PRO A 269 23.514 -44.714 19.908 1.00 28.29 C ATOM 335 O PRO A 269 22.631 -43.866 19.952 1.00 30.00 O ATOM 336 CB PRO A 269 23.025 -47.054 19.155 1.00 28.41 C ATOM 337 CG PRO A 269 23.685 -47.995 18.197 1.00 29.30 C ATOM 338 CD PRO A 269 25.072 -47.436 17.970 1.00 38.19 C ATOM 339 N GLU A 270 24.467 -44.810 20.826 1.00 36.44 N ATOM 340 CA GLU A 270 24.415 -43.982 22.025 1.00 37.45 C ATOM 341 C GLU A 270 24.519 -42.503 21.691 1.00 32.86 C ATOM 342 O GLU A 270 24.047 -41.663 22.453 1.00 43.23 O ATOM 343 CB GLU A 270 25.495 -44.364 23.050 1.00 42.50 C ATOM 344 CG GLU A 270 26.707 -45.090 22.500 1.00 54.22 C ATOM 345 CD GLU A 270 26.468 -46.587 22.303 1.00 60.85 C ATOM 346 OE1 GLU A 270 26.390 -47.032 21.136 1.00 48.68 O ATOM 347 OE2 GLU A 270 26.370 -47.318 23.317 1.00 74.05 O ATOM 348 H GLU A 270 25.253 -45.477 20.690 1.00 0.00 H ATOM 349 N GLU A 271 25.128 -42.185 20.554 1.00 31.83 N ATOM 350 CA GLU A 271 25.357 -40.791 20.187 1.00 34.16 C ATOM 351 C GLU A 271 24.167 -40.192 19.440 1.00 33.62 C ATOM 352 O GLU A 271 24.079 -38.990 19.259 1.00 32.98 O ATOM 353 CB GLU A 271 26.647 -40.655 19.370 1.00 39.96 C ATOM 354 CG GLU A 271 26.497 -40.854 17.871 1.00 36.63 C ATOM 355 CD GLU A 271 27.823 -40.706 17.140 1.00 49.57 C ATOM 356 OE1 GLU A 271 28.191 -39.566 16.781 1.00 61.00 O ATOM 357 OE2 GLU A 271 28.502 -41.727 16.928 1.00 34.22 O ATOM 358 H GLU A 271 25.447 -42.941 19.915 1.00 0.00 H ATOM 359 N LEU A 272 23.243 -41.042 19.007 1.00 26.35 N ATOM 360 CA LEU A 272 22.016 -40.584 18.379 1.00 22.52 C ATOM 361 C LEU A 272 20.930 -40.296 19.406 1.00 22.42 C ATOM 362 O LEU A 272 20.020 -39.498 19.161 1.00 25.49 O ATOM 363 CB LEU A 272 21.516 -41.679 17.424 1.00 21.43 C ATOM 364 CG LEU A 272 22.421 -41.965 16.226 1.00 29.13 C ATOM 365 CD1 LEU A 272 21.795 -43.046 15.378 1.00 28.87 C ATOM 366 CD2 LEU A 272 22.668 -40.714 15.407 1.00 33.00 C ATOM 367 H LEU A 272 23.402 -42.063 19.121 1.00 0.00 H ATOM 368 N LEU A 273 20.998 -40.985 20.542 1.00 25.04 N ATOM 369 CA LEU A 273 19.923 -40.928 21.518 1.00 25.27 C ATOM 370 C LEU A 273 19.666 -39.495 21.962 1.00 27.84 C ATOM 371 O LEU A 273 20.590 -38.777 22.360 1.00 30.96 O ATOM 372 CB LEU A 273 20.233 -41.816 22.728 1.00 31.44 C ATOM 373 CG LEU A 273 20.447 -43.295 22.401 1.00 37.06 C ATOM 374 CD1 LEU A 273 20.545 -44.090 23.683 1.00 44.05 C ATOM 375 CD2 LEU A 273 19.340 -43.858 21.499 1.00 37.03 C ATOM 376 H LEU A 273 21.834 -41.574 20.735 1.00 0.00 H ATOM 377 N GLY A 274 18.408 -39.080 21.898 1.00 23.29 N ATOM 378 CA GLY A 274 18.026 -37.731 22.303 1.00 23.71 C ATOM 379 C GLY A 274 18.149 -36.703 21.206 1.00 26.25 C ATOM 380 O GLY A 274 17.763 -35.542 21.393 1.00 26.95 O ATOM 381 H GLY A 274 17.676 -39.732 21.551 1.00 0.00 H ATOM 382 N ARG A 275 18.702 -37.108 20.066 1.00 21.61 N ATOM 383 CA ARG A 275 18.783 -36.225 18.900 1.00 22.89 C ATOM 384 C ARG A 275 17.591 -36.507 17.994 1.00 21.28 C ATOM 385 O ARG A 275 17.184 -37.661 17.804 1.00 18.76 O ATOM 386 CB ARG A 275 20.096 -36.436 18.130 1.00 24.42 C ATOM 387 CG ARG A 275 21.355 -36.077 18.913 1.00 25.67 C ATOM 388 CD ARG A 275 22.623 -36.103 18.052 1.00 26.62 C ATOM 389 NE ARG A 275 22.601 -35.063 17.019 1.00 30.21 N ATOM 390 CZ ARG A 275 23.562 -34.868 16.121 1.00 38.90 C ATOM 391 NH1 ARG A 275 24.651 -35.631 16.118 1.00 40.91 N ATOM 392 NH2 ARG A 275 23.436 -33.900 15.224 1.00 45.30 N ATOM 393 HE ARG A 275 21.775 -34.433 16.986 1.00 0.00 H ATOM 394 HH12 ARG A 275 25.397 -35.470 15.411 1.00 0.00 H ATOM 395 HH11 ARG A 275 24.757 -36.389 16.822 1.00 0.00 H ATOM 396 HH22 ARG A 275 24.185 -33.743 14.519 1.00 0.00 H ATOM 397 HH21 ARG A 275 22.588 -33.297 15.225 1.00 0.00 H ATOM 398 H ARG A 275 19.085 -38.073 20.001 1.00 0.00 H ATOM 399 N SER A 276 17.038 -35.448 17.417 1.00 21.84 N ATOM 400 CA SER A 276 15.956 -35.584 16.456 1.00 23.38 C ATOM 401 C SER A 276 16.469 -36.147 15.139 1.00 19.26 C ATOM 402 O SER A 276 17.507 -35.731 14.637 1.00 21.30 O ATOM 403 CB SER A 276 15.321 -34.221 16.183 1.00 27.59 C ATOM 404 OG SER A 276 14.397 -34.336 15.118 1.00 27.55 O ATOM 405 HG SER A 276 13.986 -33.453 14.942 1.00 0.00 H ATOM 406 H SER A 276 17.387 -34.498 17.658 1.00 0.00 H ATOM 407 N ALA A 277 15.726 -37.074 14.544 1.00 18.19 N ATOM 408 CA ALA A 277 16.126 -37.591 13.247 1.00 19.95 C ATOM 409 C ALA A 277 16.220 -36.454 12.227 1.00 19.85 C ATOM 410 O ALA A 277 16.984 -36.536 11.252 1.00 19.54 O ATOM 411 CB ALA A 277 15.144 -38.633 12.771 1.00 21.49 C ATOM 412 H ALA A 277 14.863 -37.427 15.004 1.00 0.00 H ATOM 413 N TYR A 278 15.426 -35.405 12.439 1.00 18.78 N ATOM 414 CA TYR A 278 15.413 -34.267 11.529 1.00 16.70 C ATOM 415 C TYR A 278 16.792 -33.642 11.381 1.00 21.48 C ATOM 416 O TYR A 278 17.083 -33.015 10.366 1.00 23.13 O ATOM 417 CB TYR A 278 14.467 -33.178 12.036 1.00 17.59 C ATOM 418 CG TYR A 278 13.019 -33.418 11.717 1.00 24.91 C ATOM 419 CD1 TYR A 278 12.168 -33.932 12.678 1.00 29.97 C ATOM 420 CD2 TYR A 278 12.498 -33.111 10.461 1.00 21.68 C ATOM 421 CE1 TYR A 278 10.842 -34.158 12.416 1.00 43.42 C ATOM 422 CE2 TYR A 278 11.158 -33.326 10.189 1.00 31.40 C ATOM 423 CZ TYR A 278 10.332 -33.858 11.178 1.00 38.11 C ATOM 424 OH TYR A 278 8.989 -34.105 10.976 1.00 37.62 O ATOM 425 HH TYR A 278 8.596 -34.480 11.803 1.00 0.00 H ATOM 426 H TYR A 278 14.803 -35.398 13.271 1.00 0.00 H ATOM 427 N GLU A 279 17.630 -33.774 12.407 1.00 19.81 N ATOM 428 CA GLU A 279 18.972 -33.207 12.335 1.00 17.96 C ATOM 429 C GLU A 279 19.824 -33.879 11.250 1.00 19.60 C ATOM 430 O GLU A 279 20.880 -33.372 10.855 1.00 21.99 O ATOM 431 CB GLU A 279 19.679 -33.351 13.678 1.00 19.35 C ATOM 432 CG GLU A 279 19.106 -32.517 14.780 1.00 21.49 C ATOM 433 CD GLU A 279 19.677 -32.892 16.131 1.00 28.91 C ATOM 434 OE1 GLU A 279 18.889 -32.992 17.084 1.00 36.12 O ATOM 435 OE2 GLU A 279 20.907 -33.088 16.250 1.00 27.63 O ATOM 436 H GLU A 279 17.327 -34.283 13.262 1.00 0.00 H ATOM 437 N PHE A 280 19.398 -35.061 10.816 1.00 17.25 N ATOM 438 CA PHE A 280 20.204 -35.881 9.935 1.00 18.55 C ATOM 439 C PHE A 280 19.680 -35.958 8.512 1.00 18.44 C ATOM 440 O PHE A 280 20.338 -36.550 7.678 1.00 25.18 O ATOM 441 CB PHE A 280 20.286 -37.304 10.478 1.00 20.31 C ATOM 442 CG PHE A 280 20.882 -37.367 11.848 1.00 19.20 C ATOM 443 CD1 PHE A 280 22.240 -37.483 12.013 1.00 28.07 C ATOM 444 CD2 PHE A 280 20.067 -37.297 12.968 1.00 24.33 C ATOM 445 CE1 PHE A 280 22.794 -37.522 13.301 1.00 33.65 C ATOM 446 CE2 PHE A 280 20.591 -37.353 14.232 1.00 24.38 C ATOM 447 CZ PHE A 280 21.960 -37.461 14.403 1.00 27.15 C ATOM 448 H PHE A 280 18.464 -35.405 11.116 1.00 0.00 H ATOM 449 N TYR A 281 18.532 -35.346 8.239 1.00 19.86 N ATOM 450 CA TYR A 281 17.983 -35.335 6.891 1.00 19.19 C ATOM 451 C TYR A 281 18.682 -34.281 6.032 1.00 20.48 C ATOM 452 O TYR A 281 18.911 -33.171 6.486 1.00 23.03 O ATOM 453 CB TYR A 281 16.495 -34.986 6.906 1.00 21.53 C ATOM 454 CG TYR A 281 15.606 -35.933 7.663 1.00 20.51 C ATOM 455 CD1 TYR A 281 15.888 -37.292 7.729 1.00 30.89 C ATOM 456 CD2 TYR A 281 14.458 -35.475 8.287 1.00 21.45 C ATOM 457 CE1 TYR A 281 15.051 -38.158 8.420 1.00 29.60 C ATOM 458 CE2 TYR A 281 13.621 -36.332 8.969 1.00 23.53 C ATOM 459 CZ TYR A 281 13.912 -37.668 9.036 1.00 28.76 C ATOM 460 OH TYR A 281 13.034 -38.507 9.728 1.00 24.29 O ATOM 461 HH TYR A 281 13.371 -39.437 9.692 1.00 0.00 H ATOM 462 H TYR A 281 18.016 -34.866 9.004 1.00 0.00 H ATOM 463 N HIS A 282 18.958 -34.626 4.786 1.00 22.65 N ATOM 464 CA HIS A 282 19.464 -33.661 3.814 1.00 24.46 C ATOM 465 C HIS A 282 18.456 -32.511 3.693 1.00 23.42 C ATOM 466 O HIS A 282 17.243 -32.708 3.787 1.00 25.36 O ATOM 467 CB HIS A 282 19.697 -34.381 2.471 1.00 30.49 C ATOM 468 CG HIS A 282 20.507 -33.596 1.487 1.00 24.87 C ATOM 469 ND1 HIS A 282 19.970 -32.580 0.729 1.00 31.07 N ATOM 470 CD2 HIS A 282 21.812 -33.671 1.139 1.00 34.18 C ATOM 471 CE1 HIS A 282 20.908 -32.061 -0.040 1.00 33.30 C ATOM 472 NE2 HIS A 282 22.038 -32.695 0.197 1.00 33.45 N ATOM 473 H HIS A 282 18.811 -35.612 4.490 1.00 0.00 H ATOM 474 N ALA A 283 18.952 -31.296 3.512 1.00 22.75 N ATOM 475 CA ALA A 283 18.082 -30.119 3.469 1.00 27.97 C ATOM 476 C ALA A 283 16.984 -30.280 2.433 1.00 26.50 C ATOM 477 O ALA A 283 15.868 -29.797 2.594 1.00 26.74 O ATOM 478 CB ALA A 283 18.907 -28.865 3.157 1.00 26.22 C ATOM 479 H ALA A 283 19.979 -31.176 3.398 1.00 0.00 H ATOM 480 N LEU A 284 17.338 -30.904 1.322 1.00 25.48 N ATOM 481 CA LEU A 284 16.436 -31.028 0.185 1.00 28.70 C ATOM 482 C LEU A 284 15.345 -32.047 0.419 1.00 26.75 C ATOM 483 O LEU A 284 14.413 -32.158 -0.388 1.00 27.41 O ATOM 484 CB LEU A 284 17.222 -31.399 -1.070 1.00 35.68 C ATOM 485 CG LEU A 284 18.251 -30.359 -1.514 1.00 41.41 C ATOM 486 CD1 LEU A 284 18.932 -30.817 -2.782 1.00 44.39 C ATOM 487 CD2 LEU A 284 17.607 -29.004 -1.719 1.00 37.54 C ATOM 488 H LEU A 284 18.290 -31.319 1.258 1.00 0.00 H ATOM 489 N ASP A 285 15.471 -32.802 1.513 1.00 23.66 N ATOM 490 CA ASP A 285 14.456 -33.773 1.883 1.00 24.40 C ATOM 491 C ASP A 285 13.620 -33.332 3.073 1.00 24.85 C ATOM 492 O ASP A 285 12.682 -34.012 3.452 1.00 24.61 O ATOM 493 CB ASP A 285 15.116 -35.119 2.195 1.00 23.44 C ATOM 494 CG ASP A 285 15.820 -35.700 0.997 1.00 25.94 C ATOM 495 OD1 ASP A 285 15.241 -35.624 -0.110 1.00 29.96 O ATOM 496 OD2 ASP A 285 16.964 -36.175 1.143 1.00 23.16 O ATOM 497 H ASP A 285 16.314 -32.693 2.113 1.00 0.00 H ATOM 498 N SER A 286 13.929 -32.191 3.664 1.00 27.06 N ATOM 499 CA SER A 286 13.291 -31.840 4.923 1.00 31.29 C ATOM 500 C SER A 286 11.766 -31.670 4.808 1.00 37.09 C ATOM 501 O SER A 286 11.021 -32.139 5.672 1.00 29.05 O ATOM 502 CB SER A 286 13.943 -30.586 5.496 1.00 33.63 C ATOM 503 OG SER A 286 15.270 -30.897 5.893 1.00 41.48 O ATOM 504 HG SER A 286 15.783 -31.212 5.107 1.00 0.00 H ATOM 505 H SER A 286 14.623 -31.549 3.232 1.00 0.00 H ATOM 506 N GLU A 287 11.299 -31.002 3.758 1.00 35.58 N ATOM 507 CA GLU A 287 9.858 -30.780 3.612 1.00 32.74 C ATOM 508 C GLU A 287 9.125 -32.101 3.360 1.00 28.74 C ATOM 509 O GLU A 287 8.072 -32.350 3.948 1.00 36.06 O ATOM 510 CB GLU A 287 9.554 -29.740 2.529 1.00 36.89 C ATOM 511 CG GLU A 287 10.124 -28.352 2.838 1.00 51.65 C ATOM 512 CD GLU A 287 9.533 -27.710 4.097 1.00 62.34 C ATOM 513 OE1 GLU A 287 8.355 -27.279 4.069 1.00 55.62 O ATOM 514 OE2 GLU A 287 10.257 -27.624 5.114 1.00 61.19 O ATOM 515 H GLU A 287 11.957 -30.637 3.040 1.00 0.00 H ATOM 516 N ASN A 288 9.706 -32.965 2.532 1.00 26.23 N ATOM 517 CA ASN A 288 9.151 -34.291 2.285 1.00 29.19 C ATOM 518 C ASN A 288 9.080 -35.148 3.548 1.00 29.51 C ATOM 519 O ASN A 288 8.112 -35.878 3.754 1.00 27.28 O ATOM 520 CB ASN A 288 9.978 -35.041 1.244 1.00 33.25 C ATOM 521 CG ASN A 288 9.712 -34.558 -0.172 1.00 42.06 C ATOM 522 OD1 ASN A 288 8.686 -33.943 -0.442 1.00 42.57 O ATOM 523 ND2 ASN A 288 10.639 -34.838 -1.077 1.00 46.97 N ATOM 524 HD22 ASN A 288 11.494 -35.363 -0.801 1.00 0.00 H ATOM 525 HD21 ASN A 288 10.512 -34.533 -2.063 1.00 0.00 H ATOM 526 H ASN A 288 10.582 -32.687 2.046 1.00 0.00 H ATOM 527 N MET A 289 10.111 -35.073 4.384 1.00 23.73 N ATOM 528 CA MET A 289 10.120 -35.859 5.607 1.00 19.77 C ATOM 529 C MET A 289 9.157 -35.296 6.653 1.00 22.25 C ATOM 530 O MET A 289 8.603 -36.043 7.457 1.00 23.72 O ATOM 531 CB MET A 289 11.541 -35.968 6.166 1.00 23.51 C ATOM 532 CG MET A 289 12.461 -36.828 5.307 1.00 24.61 C ATOM 533 SD MET A 289 11.825 -38.501 5.021 1.00 20.58 S ATOM 534 CE MET A 289 11.097 -38.335 3.397 1.00 30.52 C ATOM 535 H MET A 289 10.914 -34.450 4.162 1.00 0.00 H ATOM 536 N THR A 290 8.946 -33.982 6.638 1.00 23.70 N ATOM 537 CA THR A 290 7.949 -33.370 7.504 1.00 24.40 C ATOM 538 C THR A 290 6.576 -33.905 7.115 1.00 26.44 C ATOM 539 O THR A 290 5.762 -34.263 7.978 1.00 26.40 O ATOM 540 CB THR A 290 7.983 -31.839 7.392 1.00 29.58 C ATOM 541 OG1 THR A 290 9.237 -31.363 7.901 1.00 29.54 O ATOM 542 CG2 THR A 290 6.844 -31.204 8.184 1.00 35.32 C ATOM 543 HG1 THR A 290 9.977 -31.754 7.372 1.00 0.00 H ATOM 544 H THR A 290 9.503 -33.382 5.996 1.00 0.00 H ATOM 545 N LYS A 291 6.330 -33.991 5.811 1.00 29.12 N ATOM 546 CA LYS A 291 5.050 -34.508 5.312 1.00 30.19 C ATOM 547 C LYS A 291 4.877 -35.986 5.676 1.00 34.26 C ATOM 548 O LYS A 291 3.788 -36.417 6.078 1.00 31.38 O ATOM 549 CB LYS A 291 4.950 -34.321 3.795 1.00 32.48 C ATOM 550 CG LYS A 291 4.950 -32.852 3.352 1.00 41.47 C ATOM 551 CD LYS A 291 4.649 -32.706 1.867 1.00 55.58 C ATOM 552 CE LYS A 291 4.929 -31.301 1.358 1.00 61.48 C ATOM 553 NZ LYS A 291 6.143 -31.278 0.494 1.00 70.24 N ATOM 554 HZ1 LYS A 291 6.964 -31.604 1.043 1.00 0.00 H ATOM 555 HZ2 LYS A 291 5.998 -31.906 -0.322 1.00 0.00 H ATOM 556 HZ3 LYS A 291 6.311 -30.307 0.160 1.00 0.00 H ATOM 557 H LYS A 291 7.057 -33.687 5.133 1.00 0.00 H ATOM 558 N SER A 292 5.942 -36.765 5.530 1.00 26.69 N ATOM 559 CA SER A 292 5.902 -38.179 5.899 1.00 23.23 C ATOM 560 C SER A 292 5.609 -38.357 7.391 1.00 24.63 C ATOM 561 O SER A 292 4.801 -39.205 7.764 1.00 23.46 O ATOM 562 CB SER A 292 7.206 -38.879 5.529 1.00 23.13 C ATOM 563 OG SER A 292 7.317 -38.997 4.123 1.00 31.88 O ATOM 564 HG SER A 292 7.306 -38.095 3.715 1.00 0.00 H ATOM 565 H SER A 292 6.821 -36.362 5.146 1.00 0.00 H ATOM 566 N HIS A 293 6.243 -37.547 8.236 1.00 21.58 N ATOM 567 CA HIS A 293 5.971 -37.585 9.678 1.00 21.76 C ATOM 568 C HIS A 293 4.511 -37.233 9.970 1.00 26.91 C ATOM 569 O HIS A 293 3.880 -37.862 10.808 1.00 23.61 O ATOM 570 CB HIS A 293 6.920 -36.620 10.414 1.00 23.01 C ATOM 571 CG HIS A 293 6.833 -36.673 11.911 1.00 25.18 C ATOM 572 ND1 HIS A 293 7.270 -35.640 12.711 1.00 33.84 N ATOM 573 CD2 HIS A 293 6.424 -37.648 12.755 1.00 32.43 C ATOM 574 CE1 HIS A 293 7.100 -35.962 13.980 1.00 34.70 C ATOM 575 NE2 HIS A 293 6.587 -37.177 14.033 1.00 28.55 N ATOM 576 H HIS A 293 6.945 -36.874 7.867 1.00 0.00 H ATOM 577 N GLN A 294 3.961 -36.228 9.292 1.00 25.78 N ATOM 578 CA GLN A 294 2.563 -35.893 9.493 1.00 29.37 C ATOM 579 C GLN A 294 1.652 -37.074 9.101 1.00 30.08 C ATOM 580 O GLN A 294 0.687 -37.391 9.801 1.00 27.82 O ATOM 581 CB GLN A 294 2.193 -34.620 8.711 1.00 32.59 C ATOM 582 CG GLN A 294 2.806 -33.344 9.302 1.00 32.82 C ATOM 583 CD GLN A 294 2.702 -32.140 8.378 1.00 38.06 C ATOM 584 OE1 GLN A 294 2.653 -32.280 7.158 1.00 46.76 O ATOM 585 NE2 GLN A 294 2.672 -30.952 8.962 1.00 47.55 N ATOM 586 HE22 GLN A 294 2.716 -30.881 9.999 1.00 0.00 H ATOM 587 HE21 GLN A 294 2.605 -30.090 8.384 1.00 0.00 H ATOM 588 H GLN A 294 4.534 -35.682 8.617 1.00 0.00 H ATOM 589 N ASN A 295 1.964 -37.723 7.986 1.00 27.58 N ATOM 590 CA ASN A 295 1.163 -38.854 7.517 1.00 27.46 C ATOM 591 C ASN A 295 1.264 -40.030 8.481 1.00 24.82 C ATOM 592 O ASN A 295 0.266 -40.688 8.798 1.00 25.68 O ATOM 593 CB ASN A 295 1.603 -39.281 6.112 1.00 35.40 C ATOM 594 CG ASN A 295 1.295 -38.223 5.045 1.00 46.33 C ATOM 595 OD1 ASN A 295 2.144 -37.900 4.219 1.00 54.45 O ATOM 596 ND2 ASN A 295 0.077 -37.692 5.059 1.00 49.22 N ATOM 597 HD22 ASN A 295 -0.613 -37.993 5.776 1.00 0.00 H ATOM 598 HD21 ASN A 295 -0.186 -36.975 4.353 1.00 0.00 H ATOM 599 H ASN A 295 2.793 -37.422 7.435 1.00 0.00 H ATOM 600 N LEU A 296 2.476 -40.275 8.971 1.00 23.80 N ATOM 601 CA LEU A 296 2.689 -41.312 9.974 1.00 24.12 C ATOM 602 C LEU A 296 1.829 -41.068 11.215 1.00 27.28 C ATOM 603 O LEU A 296 1.193 -41.985 11.721 1.00 23.22 O ATOM 604 CB LEU A 296 4.169 -41.344 10.363 1.00 22.34 C ATOM 605 CG LEU A 296 4.530 -42.294 11.491 1.00 21.92 C ATOM 606 CD1 LEU A 296 4.130 -43.717 11.160 1.00 19.04 C ATOM 607 CD2 LEU A 296 6.022 -42.181 11.743 1.00 24.03 C ATOM 608 H LEU A 296 3.286 -39.717 8.633 1.00 0.00 H ATOM 609 N CYS A 297 1.798 -39.827 11.703 1.00 26.08 N ATOM 610 CA CYS A 297 1.068 -39.519 12.933 1.00 30.57 C ATOM 611 C CYS A 297 -0.448 -39.576 12.755 1.00 37.95 C ATOM 612 O CYS A 297 -1.179 -39.862 13.702 1.00 39.71 O ATOM 613 CB CYS A 297 1.473 -38.141 13.463 1.00 38.67 C ATOM 614 SG CYS A 297 3.114 -38.128 14.203 1.00 36.96 S ATOM 615 H CYS A 297 2.300 -39.067 11.202 1.00 0.00 H ATOM 616 N THR A 298 -0.922 -39.315 11.544 1.00 34.38 N ATOM 617 CA THR A 298 -2.360 -39.315 11.287 1.00 37.21 C ATOM 618 C THR A 298 -2.891 -40.685 10.843 1.00 36.00 C ATOM 619 O THR A 298 -4.063 -41.011 11.069 1.00 41.71 O ATOM 620 CB THR A 298 -2.731 -38.252 10.230 1.00 43.50 C ATOM 621 OG1 THR A 298 -2.143 -38.595 8.974 1.00 53.78 O ATOM 622 CG2 THR A 298 -2.228 -36.874 10.651 1.00 40.14 C ATOM 623 HG1 THR A 298 -1.158 -38.632 9.071 1.00 0.00 H ATOM 624 H THR A 298 -0.262 -39.108 10.768 1.00 0.00 H ATOM 625 N LYS A 299 -2.033 -41.486 10.217 1.00 33.22 N ATOM 626 CA LYS A 299 -2.442 -42.778 9.680 1.00 30.65 C ATOM 627 C LYS A 299 -1.951 -43.970 10.519 1.00 27.30 C ATOM 628 O LYS A 299 -2.568 -45.033 10.512 1.00 31.76 O ATOM 629 CB LYS A 299 -1.988 -42.909 8.219 1.00 28.47 C ATOM 630 CG LYS A 299 -2.678 -41.927 7.281 1.00 44.40 C ATOM 631 CD LYS A 299 -2.109 -41.982 5.872 1.00 49.88 C ATOM 632 CE LYS A 299 -2.770 -40.947 4.973 1.00 45.62 C ATOM 633 NZ LYS A 299 -2.090 -40.825 3.654 1.00 42.71 N ATOM 634 HZ1 LYS A 299 -1.101 -40.540 3.800 1.00 0.00 H ATOM 635 HZ2 LYS A 299 -2.119 -41.742 3.164 1.00 0.00 H ATOM 636 HZ3 LYS A 299 -2.577 -40.108 3.079 1.00 0.00 H ATOM 637 H LYS A 299 -1.044 -41.182 10.108 1.00 0.00 H ATOM 638 N GLY A 300 -0.860 -43.792 11.258 1.00 23.41 N ATOM 639 CA GLY A 300 -0.371 -44.840 12.135 1.00 20.54 C ATOM 640 C GLY A 300 0.780 -45.598 11.510 1.00 20.56 C ATOM 641 O GLY A 300 1.474 -46.341 12.191 1.00 20.92 O ATOM 642 H GLY A 300 -0.349 -42.888 11.207 1.00 0.00 H ATOM 643 N GLN A 301 0.961 -45.419 10.205 1.00 21.38 N ATOM 644 CA GLN A 301 2.052 -46.047 9.476 1.00 22.13 C ATOM 645 C GLN A 301 2.368 -45.260 8.215 1.00 27.65 C ATOM 646 O GLN A 301 1.509 -44.561 7.671 1.00 32.15 O ATOM 647 CB GLN A 301 1.685 -47.495 9.115 1.00 29.33 C ATOM 648 CG GLN A 301 1.608 -48.406 10.304 1.00 30.41 C ATOM 649 CD GLN A 301 1.585 -49.870 9.914 1.00 26.58 C ATOM 650 OE1 GLN A 301 0.576 -50.380 9.427 1.00 26.52 O ATOM 651 NE2 GLN A 301 2.704 -50.554 10.124 1.00 24.10 N ATOM 652 HE22 GLN A 301 3.533 -50.081 10.538 1.00 0.00 H ATOM 653 HE21 GLN A 301 2.752 -51.562 9.874 1.00 0.00 H ATOM 654 H GLN A 301 0.298 -44.808 9.686 1.00 0.00 H ATOM 655 N VAL A 302 3.607 -45.378 7.743 1.00 20.56 N ATOM 656 CA VAL A 302 4.032 -44.665 6.550 1.00 24.37 C ATOM 657 C VAL A 302 5.202 -45.391 5.922 1.00 21.67 C ATOM 658 O VAL A 302 5.994 -46.029 6.614 1.00 19.94 O ATOM 659 CB VAL A 302 4.467 -43.191 6.867 1.00 18.70 C ATOM 660 CG1 VAL A 302 5.865 -43.129 7.493 1.00 21.97 C ATOM 661 CG2 VAL A 302 4.436 -42.335 5.603 1.00 24.89 C ATOM 662 H VAL A 302 4.284 -45.993 8.238 1.00 0.00 H ATOM 663 N VAL A 303 5.299 -45.314 4.600 1.00 20.34 N ATOM 664 CA VAL A 303 6.576 -45.551 3.941 1.00 17.24 C ATOM 665 C VAL A 303 7.070 -44.186 3.493 1.00 22.86 C ATOM 666 O VAL A 303 6.367 -43.459 2.783 1.00 23.48 O ATOM 667 CB VAL A 303 6.455 -46.500 2.747 1.00 27.29 C ATOM 668 CG1 VAL A 303 7.807 -46.674 2.073 1.00 29.29 C ATOM 669 CG2 VAL A 303 5.931 -47.849 3.210 1.00 30.08 C ATOM 670 H VAL A 303 4.459 -45.083 4.032 1.00 0.00 H ATOM 671 N SER A 304 8.289 -43.862 3.896 1.00 18.20 N ATOM 672 CA SER A 304 8.818 -42.511 3.759 1.00 22.10 C ATOM 673 C SER A 304 9.069 -42.055 2.338 1.00 32.15 C ATOM 674 O SER A 304 9.047 -40.851 2.064 1.00 31.55 O ATOM 675 CB SER A 304 10.129 -42.376 4.536 1.00 20.93 C ATOM 676 OG SER A 304 11.187 -43.071 3.900 1.00 19.02 O ATOM 677 HG SER A 304 11.323 -42.703 2.991 1.00 0.00 H ATOM 678 H SER A 304 8.889 -44.596 4.324 1.00 0.00 H ATOM 679 N GLY A 305 9.339 -42.990 1.435 1.00 21.25 N ATOM 680 CA GLY A 305 9.919 -42.606 0.164 1.00 28.91 C ATOM 681 C GLY A 305 11.401 -42.327 0.364 1.00 27.22 C ATOM 682 O GLY A 305 11.887 -42.235 1.493 1.00 24.12 O ATOM 683 H GLY A 305 9.136 -43.990 1.638 1.00 0.00 H ATOM 684 N GLN A 306 12.129 -42.197 -0.738 1.00 25.33 N ATOM 685 CA GLN A 306 13.572 -42.099 -0.667 1.00 26.68 C ATOM 686 C GLN A 306 14.002 -40.762 -0.087 1.00 26.03 C ATOM 687 O GLN A 306 13.489 -39.706 -0.469 1.00 25.83 O ATOM 688 CB GLN A 306 14.167 -42.270 -2.060 1.00 24.94 C ATOM 689 CG GLN A 306 13.681 -43.537 -2.758 1.00 34.12 C ATOM 690 CD GLN A 306 14.181 -43.657 -4.177 1.00 46.04 C ATOM 691 OE1 GLN A 306 14.651 -42.688 -4.772 1.00 54.62 O ATOM 692 NE2 GLN A 306 14.077 -44.855 -4.732 1.00 47.73 N ATOM 693 HE22 GLN A 306 13.673 -45.646 -4.191 1.00 0.00 H ATOM 694 HE21 GLN A 306 14.400 -45.005 -5.709 1.00 0.00 H ATOM 695 H GLN A 306 11.657 -42.165 -1.664 1.00 0.00 H ATOM 696 N TYR A 307 14.969 -40.818 0.815 1.00 21.87 N ATOM 697 CA TYR A 307 15.589 -39.616 1.342 1.00 19.45 C ATOM 698 C TYR A 307 17.062 -39.853 1.693 1.00 22.72 C ATOM 699 O TYR A 307 17.537 -40.992 1.737 1.00 22.00 O ATOM 700 CB TYR A 307 14.821 -39.140 2.576 1.00 17.08 C ATOM 701 CG TYR A 307 14.915 -40.049 3.781 1.00 19.98 C ATOM 702 CD1 TYR A 307 15.827 -39.779 4.806 1.00 20.90 C ATOM 703 CD2 TYR A 307 14.071 -41.151 3.925 1.00 19.86 C ATOM 704 CE1 TYR A 307 15.911 -40.587 5.918 1.00 18.36 C ATOM 705 CE2 TYR A 307 14.150 -41.962 5.037 1.00 16.30 C ATOM 706 CZ TYR A 307 15.067 -41.665 6.037 1.00 17.14 C ATOM 707 OH TYR A 307 15.143 -42.471 7.155 1.00 21.80 O ATOM 708 HH TYR A 307 15.373 -43.394 6.880 1.00 0.00 H ATOM 709 H TYR A 307 15.293 -41.746 1.155 1.00 0.00 H ATOM 710 N ARG A 308 17.777 -38.766 1.969 1.00 22.71 N ATOM 711 CA ARG A 308 19.191 -38.853 2.264 1.00 22.88 C ATOM 712 C ARG A 308 19.431 -38.599 3.746 1.00 24.59 C ATOM 713 O ARG A 308 18.954 -37.602 4.294 1.00 22.93 O ATOM 714 CB ARG A 308 19.966 -37.822 1.430 1.00 26.83 C ATOM 715 CG ARG A 308 20.047 -38.145 -0.048 1.00 29.58 C ATOM 716 CD ARG A 308 20.162 -36.874 -0.904 1.00 26.52 C ATOM 717 NE ARG A 308 18.856 -36.248 -1.082 1.00 25.83 N ATOM 718 CZ ARG A 308 18.589 -35.308 -1.976 1.00 36.05 C ATOM 719 NH1 ARG A 308 19.547 -34.867 -2.775 1.00 35.15 N ATOM 720 NH2 ARG A 308 17.362 -34.810 -2.071 1.00 37.04 N ATOM 721 HE ARG A 308 18.081 -36.562 -0.464 1.00 0.00 H ATOM 722 HH12 ARG A 308 19.339 -34.129 -3.478 1.00 0.00 H ATOM 723 HH11 ARG A 308 20.508 -35.258 -2.700 1.00 0.00 H ATOM 724 HH22 ARG A 308 17.153 -34.072 -2.773 1.00 0.00 H ATOM 725 HH21 ARG A 308 16.610 -35.158 -1.443 1.00 0.00 H ATOM 726 H ARG A 308 17.311 -37.836 1.973 1.00 0.00 H ATOM 727 N MET A 309 20.172 -39.502 4.380 1.00 21.51 N ATOM 728 CA MET A 309 20.613 -39.305 5.749 1.00 18.69 C ATOM 729 C MET A 309 22.101 -38.994 5.787 1.00 19.90 C ATOM 730 O MET A 309 22.920 -39.691 5.188 1.00 22.58 O ATOM 731 CB MET A 309 20.339 -40.545 6.604 1.00 22.97 C ATOM 732 CG MET A 309 20.745 -40.330 8.055 1.00 20.21 C ATOM 733 SD MET A 309 20.510 -41.837 9.019 1.00 33.06 S ATOM 734 CE MET A 309 20.957 -41.249 10.652 1.00 32.34 C ATOM 735 H MET A 309 20.443 -40.374 3.882 1.00 0.00 H ATOM 736 N LEU A 310 22.434 -37.911 6.476 1.00 20.49 N ATOM 737 CA LEU A 310 23.809 -37.481 6.707 1.00 25.38 C ATOM 738 C LEU A 310 24.643 -38.547 7.400 1.00 23.62 C ATOM 739 O LEU A 310 24.285 -38.974 8.484 1.00 25.51 O ATOM 740 CB LEU A 310 23.813 -36.281 7.661 1.00 29.61 C ATOM 741 CG LEU A 310 22.983 -35.056 7.322 1.00 41.76 C ATOM 742 CD1 LEU A 310 23.378 -33.815 8.088 1.00 42.31 C ATOM 743 CD2 LEU A 310 23.204 -34.858 5.925 1.00 41.28 C ATOM 744 H LEU A 310 21.668 -37.333 6.876 1.00 0.00 H ATOM 745 N ALA A 311 25.779 -38.917 6.812 1.00 26.65 N ATOM 746 CA ALA A 311 26.649 -39.928 7.414 1.00 29.65 C ATOM 747 C ALA A 311 27.626 -39.290 8.387 1.00 33.95 C ATOM 748 O ALA A 311 27.973 -38.115 8.256 1.00 32.53 O ATOM 749 CB ALA A 311 27.404 -40.697 6.334 1.00 32.71 C ATOM 750 H ALA A 311 26.053 -38.480 5.909 1.00 0.00 H ATOM 751 N LYS A 312 28.078 -40.083 9.354 1.00 32.77 N ATOM 752 CA LYS A 312 28.956 -39.613 10.414 1.00 33.53 C ATOM 753 C LYS A 312 30.163 -38.851 9.899 1.00 38.31 C ATOM 754 O LYS A 312 30.499 -37.784 10.416 1.00 41.12 O ATOM 755 CB LYS A 312 29.447 -40.812 11.224 1.00 34.86 C ATOM 756 CG LYS A 312 30.523 -40.487 12.246 1.00 45.21 C ATOM 757 CD LYS A 312 29.947 -40.140 13.597 1.00 38.72 C ATOM 758 CE LYS A 312 31.058 -40.111 14.632 1.00 45.94 C ATOM 759 NZ LYS A 312 30.542 -40.346 15.995 1.00 58.57 N ATOM 760 HZ1 LYS A 312 29.851 -39.607 16.235 1.00 0.00 H ATOM 761 HZ2 LYS A 312 30.082 -41.278 16.034 1.00 0.00 H ATOM 762 HZ3 LYS A 312 31.331 -40.319 16.672 1.00 0.00 H ATOM 763 H LYS A 312 27.791 -41.083 9.352 1.00 0.00 H ATOM 764 N HIS A 313 30.833 -39.418 8.904 1.00 39.00 N ATOM 765 CA HIS A 313 32.111 -38.883 8.449 1.00 51.24 C ATOM 766 C HIS A 313 31.964 -38.070 7.170 1.00 51.83 C ATOM 767 O HIS A 313 32.926 -37.902 6.419 1.00 57.11 O ATOM 768 CB HIS A 313 33.107 -40.021 8.245 1.00 48.78 C ATOM 769 CG HIS A 313 33.352 -40.824 9.483 1.00 57.12 C ATOM 770 ND1 HIS A 313 34.146 -40.373 10.517 1.00 59.24 N ATOM 771 CD2 HIS A 313 32.891 -42.040 9.863 1.00 61.60 C ATOM 772 CE1 HIS A 313 34.171 -41.281 11.476 1.00 63.25 C ATOM 773 NE2 HIS A 313 33.418 -42.302 11.105 1.00 65.10 N ATOM 774 H HIS A 313 30.439 -40.261 8.439 1.00 0.00 H ATOM 775 N GLY A 314 30.758 -37.559 6.938 1.00 43.24 N ATOM 776 CA GLY A 314 30.499 -36.713 5.791 1.00 41.28 C ATOM 777 C GLY A 314 29.774 -37.439 4.684 1.00 41.87 C ATOM 778 O GLY A 314 29.783 -38.668 4.608 1.00 40.58 O ATOM 779 H GLY A 314 29.982 -37.772 7.596 1.00 0.00 H ATOM 780 N GLY A 315 29.136 -36.673 3.814 1.00 40.31 N ATOM 781 CA GLY A 315 28.337 -37.259 2.762 1.00 39.52 C ATOM 782 C GLY A 315 27.005 -37.765 3.284 1.00 35.95 C ATOM 783 O GLY A 315 26.643 -37.571 4.446 1.00 36.79 O ATOM 784 H GLY A 315 29.210 -35.638 3.888 1.00 0.00 H ATOM 785 N TYR A 316 26.254 -38.414 2.406 1.00 31.95 N ATOM 786 CA TYR A 316 24.927 -38.898 2.743 1.00 28.25 C ATOM 787 C TYR A 316 24.706 -40.293 2.177 1.00 31.09 C ATOM 788 O TYR A 316 25.365 -40.703 1.220 1.00 31.51 O ATOM 789 CB TYR A 316 23.864 -37.962 2.174 1.00 29.73 C ATOM 790 CG TYR A 316 23.868 -37.871 0.657 1.00 33.76 C ATOM 791 CD1 TYR A 316 23.393 -38.923 -0.123 1.00 31.65 C ATOM 792 CD2 TYR A 316 24.332 -36.736 0.007 1.00 39.08 C ATOM 793 CE1 TYR A 316 23.386 -38.851 -1.493 1.00 37.32 C ATOM 794 CE2 TYR A 316 24.326 -36.654 -1.374 1.00 40.27 C ATOM 795 CZ TYR A 316 23.852 -37.718 -2.116 1.00 39.43 C ATOM 796 OH TYR A 316 23.841 -37.653 -3.489 1.00 54.75 O ATOM 797 HH TYR A 316 23.472 -38.496 -3.855 1.00 0.00 H ATOM 798 H TYR A 316 26.625 -38.581 1.449 1.00 0.00 H ATOM 799 N VAL A 317 23.766 -41.014 2.776 1.00 26.40 N ATOM 800 CA VAL A 317 23.325 -42.292 2.251 1.00 24.82 C ATOM 801 C VAL A 317 21.853 -42.153 1.888 1.00 25.20 C ATOM 802 O VAL A 317 21.103 -41.486 2.601 1.00 24.67 O ATOM 803 CB VAL A 317 23.513 -43.415 3.301 1.00 27.84 C ATOM 804 CG1 VAL A 317 22.767 -44.656 2.908 1.00 29.19 C ATOM 805 CG2 VAL A 317 24.995 -43.727 3.487 1.00 29.01 C ATOM 806 H VAL A 317 23.332 -40.651 3.649 1.00 0.00 H ATOM 807 N TRP A 318 21.438 -42.753 0.774 1.00 20.97 N ATOM 808 CA TRP A 318 20.019 -42.839 0.452 1.00 19.36 C ATOM 809 C TRP A 318 19.378 -43.949 1.282 1.00 23.51 C ATOM 810 O TRP A 318 19.917 -45.056 1.376 1.00 23.32 O ATOM 811 CB TRP A 318 19.781 -43.125 -1.047 1.00 22.89 C ATOM 812 CG TRP A 318 19.962 -41.926 -1.954 1.00 21.61 C ATOM 813 CD1 TRP A 318 21.073 -41.605 -2.672 1.00 36.86 C ATOM 814 CD2 TRP A 318 18.997 -40.894 -2.227 1.00 27.22 C ATOM 815 NE1 TRP A 318 20.863 -40.444 -3.378 1.00 37.75 N ATOM 816 CE2 TRP A 318 19.598 -39.985 -3.124 1.00 31.68 C ATOM 817 CE3 TRP A 318 17.686 -40.650 -1.799 1.00 28.05 C ATOM 818 CZ2 TRP A 318 18.935 -38.850 -3.603 1.00 26.57 C ATOM 819 CZ3 TRP A 318 17.028 -39.517 -2.273 1.00 26.60 C ATOM 820 CH2 TRP A 318 17.653 -38.635 -3.161 1.00 25.99 C ATOM 821 HE1 TRP A 318 21.555 -39.987 -4.005 1.00 0.00 H ATOM 822 H TRP A 318 22.137 -43.166 0.124 1.00 0.00 H ATOM 823 N LEU A 319 18.214 -43.648 1.850 1.00 19.36 N ATOM 824 CA LEU A 319 17.443 -44.591 2.661 1.00 20.74 C ATOM 825 C LEU A 319 15.964 -44.552 2.306 1.00 20.09 C ATOM 826 O LEU A 319 15.463 -43.601 1.711 1.00 21.90 O ATOM 827 CB LEU A 319 17.478 -44.216 4.156 1.00 24.69 C ATOM 828 CG LEU A 319 18.736 -44.160 4.992 1.00 41.10 C ATOM 829 CD1 LEU A 319 18.348 -43.832 6.432 1.00 34.69 C ATOM 830 CD2 LEU A 319 19.464 -45.459 4.926 1.00 36.56 C ATOM 831 H LEU A 319 17.831 -42.691 1.710 1.00 0.00 H ATOM 832 N GLU A 320 15.255 -45.586 2.736 1.00 17.67 N ATOM 833 CA GLU A 320 13.808 -45.520 2.830 1.00 16.16 C ATOM 834 C GLU A 320 13.449 -46.107 4.176 1.00 18.41 C ATOM 835 O GLU A 320 14.125 -47.006 4.671 1.00 19.14 O ATOM 836 CB GLU A 320 13.116 -46.279 1.699 1.00 22.49 C ATOM 837 CG GLU A 320 11.608 -46.194 1.806 1.00 26.64 C ATOM 838 CD GLU A 320 10.890 -46.556 0.521 1.00 35.76 C ATOM 839 OE1 GLU A 320 10.907 -47.742 0.137 1.00 35.69 O ATOM 840 OE2 GLU A 320 10.276 -45.649 -0.083 1.00 42.00 O ATOM 841 H GLU A 320 15.745 -46.461 3.011 1.00 0.00 H ATOM 842 N THR A 321 12.407 -45.575 4.786 1.00 19.36 N ATOM 843 CA THR A 321 12.016 -46.009 6.110 1.00 17.18 C ATOM 844 C THR A 321 10.544 -46.394 6.149 1.00 19.08 C ATOM 845 O THR A 321 9.686 -45.661 5.655 1.00 20.38 O ATOM 846 CB THR A 321 12.243 -44.877 7.122 1.00 16.26 C ATOM 847 OG1 THR A 321 13.655 -44.669 7.302 1.00 19.64 O ATOM 848 CG2 THR A 321 11.578 -45.197 8.470 1.00 19.52 C ATOM 849 HG1 THR A 321 14.070 -45.502 7.640 1.00 0.00 H ATOM 850 H THR A 321 11.858 -44.832 4.308 1.00 0.00 H ATOM 851 N GLN A 322 10.252 -47.540 6.758 1.00 15.64 N ATOM 852 CA GLN A 322 8.872 -47.887 7.075 1.00 17.20 C ATOM 853 C GLN A 322 8.644 -47.525 8.534 1.00 22.45 C ATOM 854 O GLN A 322 9.305 -48.088 9.403 1.00 18.56 O ATOM 855 CB GLN A 322 8.644 -49.380 6.878 1.00 21.15 C ATOM 856 CG GLN A 322 7.237 -49.839 7.205 1.00 33.34 C ATOM 857 CD GLN A 322 6.962 -51.243 6.728 1.00 47.82 C ATOM 858 OE1 GLN A 322 7.336 -51.622 5.610 1.00 36.97 O ATOM 859 NE2 GLN A 322 6.321 -52.035 7.579 1.00 57.82 N ATOM 860 HE22 GLN A 322 6.027 -51.671 8.508 1.00 0.00 H ATOM 861 HE21 GLN A 322 6.113 -53.020 7.317 1.00 0.00 H ATOM 862 H GLN A 322 11.018 -48.197 7.011 1.00 0.00 H ATOM 863 N GLY A 323 7.728 -46.593 8.797 1.00 18.22 N ATOM 864 CA GLY A 323 7.447 -46.153 10.163 1.00 16.97 C ATOM 865 C GLY A 323 6.096 -46.677 10.647 1.00 18.57 C ATOM 866 O GLY A 323 5.169 -46.805 9.859 1.00 19.80 O ATOM 867 H GLY A 323 7.199 -46.167 8.009 1.00 0.00 H ATOM 868 N THR A 324 5.995 -46.986 11.940 1.00 16.55 N ATOM 869 CA THR A 324 4.765 -47.466 12.537 1.00 13.68 C ATOM 870 C THR A 324 4.620 -46.849 13.922 1.00 18.26 C ATOM 871 O THR A 324 5.552 -46.892 14.720 1.00 19.80 O ATOM 872 CB THR A 324 4.823 -49.006 12.734 1.00 17.78 C ATOM 873 OG1 THR A 324 5.116 -49.657 11.489 1.00 22.39 O ATOM 874 CG2 THR A 324 3.532 -49.536 13.307 1.00 22.18 C ATOM 875 HG1 THR A 324 5.991 -49.341 11.151 1.00 0.00 H ATOM 876 H THR A 324 6.834 -46.878 12.545 1.00 0.00 H ATOM 877 N VAL A 325 3.460 -46.280 14.223 1.00 18.09 N ATOM 878 CA VAL A 325 3.243 -45.722 15.544 1.00 18.08 C ATOM 879 C VAL A 325 2.775 -46.832 16.463 1.00 20.58 C ATOM 880 O VAL A 325 1.899 -47.624 16.100 1.00 22.27 O ATOM 881 CB VAL A 325 2.179 -44.618 15.537 1.00 18.95 C ATOM 882 CG1 VAL A 325 1.965 -44.071 16.966 1.00 21.24 C ATOM 883 CG2 VAL A 325 2.579 -43.486 14.590 1.00 22.11 C ATOM 884 H VAL A 325 2.704 -46.234 13.510 1.00 0.00 H ATOM 885 N ILE A 326 3.358 -46.896 17.654 1.00 17.12 N ATOM 886 CA ILE A 326 2.975 -47.878 18.653 1.00 23.22 C ATOM 887 C ILE A 326 2.111 -47.117 19.650 1.00 24.84 C ATOM 888 O ILE A 326 2.535 -46.085 20.168 1.00 25.05 O ATOM 889 CB ILE A 326 4.208 -48.471 19.362 1.00 21.75 C ATOM 890 CG1 ILE A 326 5.150 -49.107 18.331 1.00 19.17 C ATOM 891 CG2 ILE A 326 3.796 -49.500 20.422 1.00 26.43 C ATOM 892 CD1 ILE A 326 4.472 -50.128 17.416 1.00 21.24 C ATOM 893 H ILE A 326 4.115 -46.220 17.879 1.00 0.00 H ATOM 894 N TYR A 327 0.896 -47.603 19.886 1.00 27.55 N ATOM 895 CA TYR A 327 -0.072 -46.887 20.731 1.00 31.15 C ATOM 896 C TYR A 327 -0.351 -47.640 22.023 1.00 46.05 C ATOM 897 O TYR A 327 -0.309 -48.871 22.038 1.00 33.83 O ATOM 898 CB TYR A 327 -1.400 -46.706 19.993 1.00 40.13 C ATOM 899 CG TYR A 327 -1.319 -45.823 18.784 1.00 43.64 C ATOM 900 CD1 TYR A 327 -1.167 -46.361 17.513 1.00 38.17 C ATOM 901 CD2 TYR A 327 -1.399 -44.445 18.908 1.00 46.36 C ATOM 902 CE1 TYR A 327 -1.089 -45.552 16.405 1.00 42.23 C ATOM 903 CE2 TYR A 327 -1.324 -43.629 17.804 1.00 39.72 C ATOM 904 CZ TYR A 327 -1.165 -44.179 16.556 1.00 33.27 C ATOM 905 OH TYR A 327 -1.085 -43.368 15.449 1.00 44.69 O ATOM 906 HH TYR A 327 -0.309 -42.760 15.542 1.00 0.00 H ATOM 907 H TYR A 327 0.623 -48.513 19.462 1.00 0.00 H TER 908 TYR A 327 ATOM 909 N PRO A 334 -0.503 -42.200 21.428 1.00 37.74 N ATOM 910 CA PRO A 334 0.745 -42.646 20.798 1.00 33.18 C ATOM 911 C PRO A 334 1.862 -42.788 21.815 1.00 36.96 C ATOM 912 O PRO A 334 2.050 -41.877 22.619 1.00 41.05 O ATOM 913 CB PRO A 334 1.084 -41.506 19.821 1.00 41.95 C ATOM 914 CG PRO A 334 -0.021 -40.495 19.934 1.00 42.76 C ATOM 915 CD PRO A 334 -0.715 -40.757 21.234 1.00 43.23 C ATOM 916 HN2 PRO A 334 -0.459 -42.402 22.447 1.00 0.00 H ATOM 917 HN1 PRO A 334 -1.300 -42.719 21.007 1.00 0.00 H ATOM 918 N GLN A 335 2.599 -43.894 21.754 1.00 33.15 N ATOM 919 CA GLN A 335 3.684 -44.184 22.687 1.00 30.12 C ATOM 920 C GLN A 335 5.083 -43.918 22.100 1.00 31.15 C ATOM 921 O GLN A 335 5.944 -43.331 22.746 1.00 32.27 O ATOM 922 CB GLN A 335 3.614 -45.649 23.101 1.00 39.11 C ATOM 923 CG GLN A 335 4.803 -46.115 23.897 1.00 43.82 C ATOM 924 CD GLN A 335 5.025 -45.267 25.135 1.00 40.18 C ATOM 925 OE1 GLN A 335 4.391 -45.483 26.168 1.00 41.42 O ATOM 926 NE2 GLN A 335 5.915 -44.287 25.033 1.00 37.37 N ATOM 927 HE22 GLN A 335 6.428 -44.141 24.140 1.00 0.00 H ATOM 928 HE21 GLN A 335 6.099 -43.665 25.846 1.00 0.00 H ATOM 929 H GLN A 335 2.392 -44.586 21.005 1.00 0.00 H ATOM 930 N CYS A 336 5.309 -44.404 20.894 1.00 24.75 N ATOM 931 CA CYS A 336 6.587 -44.223 20.221 1.00 23.42 C ATOM 932 C CYS A 336 6.419 -44.592 18.757 1.00 21.84 C ATOM 933 O CYS A 336 5.351 -45.056 18.339 1.00 22.50 O ATOM 934 CB CYS A 336 7.675 -45.085 20.866 1.00 22.23 C ATOM 935 SG CYS A 336 7.402 -46.875 20.752 1.00 28.78 S ATOM 936 H CYS A 336 4.553 -44.931 20.411 1.00 0.00 H ATOM 937 N ILE A 337 7.473 -44.328 17.987 1.00 18.57 N ATOM 938 CA ILE A 337 7.531 -44.645 16.581 1.00 18.17 C ATOM 939 C ILE A 337 8.602 -45.699 16.369 1.00 17.96 C ATOM 940 O ILE A 337 9.738 -45.561 16.835 1.00 17.38 O ATOM 941 CB ILE A 337 7.861 -43.388 15.732 1.00 17.00 C ATOM 942 CG1 ILE A 337 6.677 -42.419 15.778 1.00 19.97 C ATOM 943 CG2 ILE A 337 8.196 -43.795 14.287 1.00 19.16 C ATOM 944 CD1 ILE A 337 6.962 -40.990 15.296 1.00 20.44 C ATOM 945 H ILE A 337 8.298 -43.869 18.423 1.00 0.00 H ATOM 946 N MET A 338 8.222 -46.757 15.670 1.00 15.35 N ATOM 947 CA MET A 338 9.139 -47.831 15.315 1.00 17.33 C ATOM 948 C MET A 338 9.472 -47.744 13.831 1.00 18.83 C ATOM 949 O MET A 338 8.576 -47.747 12.982 1.00 18.37 O ATOM 950 CB MET A 338 8.517 -49.182 15.652 1.00 21.86 C ATOM 951 CG MET A 338 8.920 -49.695 17.013 1.00 27.21 C ATOM 952 SD MET A 338 10.642 -50.231 17.003 1.00 23.02 S ATOM 953 CE MET A 338 10.434 -51.889 16.385 1.00 24.11 C ATOM 954 H MET A 338 7.231 -46.824 15.363 1.00 0.00 H ATOM 955 N CYS A 339 10.763 -47.637 13.531 1.00 18.44 N ATOM 956 CA CYS A 339 11.225 -47.506 12.160 1.00 16.71 C ATOM 957 C CYS A 339 12.065 -48.677 11.705 1.00 17.85 C ATOM 958 O CYS A 339 12.953 -49.151 12.421 1.00 19.74 O ATOM 959 CB CYS A 339 12.020 -46.209 11.997 1.00 20.00 C ATOM 960 SG CYS A 339 11.055 -44.704 12.258 1.00 20.00 S ATOM 961 H CYS A 339 11.463 -47.647 14.301 1.00 0.00 H ATOM 962 N VAL A 340 11.755 -49.162 10.503 1.00 19.14 N ATOM 963 CA VAL A 340 12.627 -50.101 9.828 1.00 15.12 C ATOM 964 C VAL A 340 13.249 -49.317 8.681 1.00 16.24 C ATOM 965 O VAL A 340 12.547 -48.878 7.764 1.00 18.18 O ATOM 966 CB VAL A 340 11.869 -51.344 9.276 1.00 14.50 C ATOM 967 CG1 VAL A 340 12.854 -52.345 8.744 1.00 18.13 C ATOM 968 CG2 VAL A 340 11.050 -52.044 10.378 1.00 18.15 C ATOM 969 H VAL A 340 10.873 -48.861 10.042 1.00 0.00 H ATOM 970 N ASN A 341 14.564 -49.163 8.743 1.00 19.25 N ATOM 971 CA ASN A 341 15.306 -48.303 7.838 1.00 16.53 C ATOM 972 C ASN A 341 16.169 -49.163 6.942 1.00 16.66 C ATOM 973 O ASN A 341 16.927 -49.988 7.437 1.00 20.77 O ATOM 974 CB ASN A 341 16.195 -47.359 8.660 1.00 17.13 C ATOM 975 CG ASN A 341 15.409 -46.648 9.766 1.00 19.34 C ATOM 976 OD1 ASN A 341 14.606 -45.767 9.481 1.00 21.44 O ATOM 977 ND2 ASN A 341 15.646 -47.032 11.025 1.00 16.50 N ATOM 978 HD22 ASN A 341 16.337 -47.785 11.218 1.00 0.00 H ATOM 979 HD21 ASN A 341 15.139 -46.578 11.811 1.00 0.00 H ATOM 980 H ASN A 341 15.090 -49.683 9.475 1.00 0.00 H ATOM 981 N TYR A 342 16.038 -48.996 5.631 1.00 18.23 N ATOM 982 CA TYR A 342 16.857 -49.778 4.717 1.00 19.30 C ATOM 983 C TYR A 342 17.611 -48.875 3.766 1.00 20.69 C ATOM 984 O TYR A 342 17.059 -47.937 3.201 1.00 21.77 O ATOM 985 CB TYR A 342 16.045 -50.874 3.987 1.00 23.05 C ATOM 986 CG TYR A 342 14.658 -50.485 3.523 1.00 26.39 C ATOM 987 CD1 TYR A 342 13.607 -50.383 4.428 1.00 23.65 C ATOM 988 CD2 TYR A 342 14.386 -50.265 2.167 1.00 29.52 C ATOM 989 CE1 TYR A 342 12.333 -50.023 4.010 1.00 24.69 C ATOM 990 CE2 TYR A 342 13.119 -49.919 1.741 1.00 34.04 C ATOM 991 CZ TYR A 342 12.092 -49.800 2.670 1.00 29.04 C ATOM 992 OH TYR A 342 10.817 -49.454 2.255 1.00 28.82 O ATOM 993 HH TYR A 342 10.844 -48.568 1.814 1.00 0.00 H ATOM 994 H TYR A 342 15.352 -48.308 5.259 1.00 0.00 H ATOM 995 N VAL A 343 18.898 -49.166 3.623 1.00 21.73 N ATOM 996 CA VAL A 343 19.796 -48.335 2.857 1.00 23.75 C ATOM 997 C VAL A 343 19.677 -48.688 1.385 1.00 27.36 C ATOM 998 O VAL A 343 19.651 -49.872 1.010 1.00 33.87 O ATOM 999 CB VAL A 343 21.253 -48.507 3.353 1.00 26.54 C ATOM 1000 CG1 VAL A 343 22.219 -47.766 2.466 1.00 36.41 C ATOM 1001 CG2 VAL A 343 21.367 -48.034 4.789 1.00 30.46 C ATOM 1002 H VAL A 343 19.273 -50.023 4.079 1.00 0.00 H ATOM 1003 N LEU A 344 19.612 -47.652 0.548 1.00 26.91 N ATOM 1004 CA LEU A 344 19.411 -47.802 -0.892 1.00 29.62 C ATOM 1005 C LEU A 344 20.670 -47.482 -1.684 1.00 34.75 C ATOM 1006 O LEU A 344 20.707 -47.681 -2.897 1.00 39.71 O ATOM 1007 CB LEU A 344 18.316 -46.855 -1.392 1.00 29.22 C ATOM 1008 CG LEU A 344 16.971 -46.836 -0.680 1.00 30.40 C ATOM 1009 CD1 LEU A 344 16.112 -45.711 -1.255 1.00 31.16 C ATOM 1010 CD2 LEU A 344 16.280 -48.185 -0.793 1.00 32.42 C ATOM 1011 H LEU A 344 19.709 -46.693 0.938 1.00 0.00 H ATOM 1012 N SER A 345 21.695 -46.971 -1.015 1.00 33.32 N ATOM 1013 CA SER A 345 22.912 -46.588 -1.722 1.00 37.35 C ATOM 1014 C SER A 345 24.142 -46.630 -0.839 1.00 38.24 C ATOM 1015 O SER A 345 24.045 -46.722 0.381 1.00 46.47 O ATOM 1016 CB SER A 345 22.778 -45.163 -2.265 1.00 52.68 C ATOM 1017 OG SER A 345 23.018 -44.202 -1.240 1.00 37.00 O ATOM 1018 HG SER A 345 23.934 -44.322 -0.884 1.00 0.00 H ATOM 1019 H SER A 345 21.631 -46.843 0.015 1.00 0.00 H ATOM 1020 N GLU A 346 25.306 -46.530 -1.472 1.00 48.99 N ATOM 1021 CA GLU A 346 26.555 -46.351 -0.744 1.00 59.69 C ATOM 1022 C GLU A 346 26.653 -44.893 -0.315 1.00 61.52 C ATOM 1023 O GLU A 346 25.817 -44.070 -0.693 1.00 54.84 O ATOM 1024 CB GLU A 346 27.752 -46.735 -1.617 1.00 60.20 C ATOM 1025 CG GLU A 346 28.538 -47.926 -1.091 1.00 59.89 C ATOM 1026 CD GLU A 346 27.671 -49.153 -0.881 1.00 56.46 C ATOM 1027 OE1 GLU A 346 26.499 -49.136 -1.309 1.00 53.53 O ATOM 1028 OE2 GLU A 346 28.163 -50.134 -0.284 1.00 57.45 O ATOM 1029 H GLU A 346 25.326 -46.581 -2.511 1.00 0.00 H ATOM 1030 N ILE A 347 27.664 -44.566 0.479 1.00 62.03 N ATOM 1031 CA ILE A 347 27.825 -43.193 0.924 1.00 60.70 C ATOM 1032 C ILE A 347 28.239 -42.337 -0.271 1.00 60.98 C ATOM 1033 O ILE A 347 29.105 -42.730 -1.054 1.00 65.23 O ATOM 1034 CB ILE A 347 28.865 -43.072 2.053 1.00 64.87 C ATOM 1035 CG1 ILE A 347 28.465 -43.952 3.240 1.00 56.11 C ATOM 1036 CG2 ILE A 347 29.002 -41.616 2.493 1.00 65.41 C ATOM 1037 CD1 ILE A 347 29.511 -44.031 4.329 1.00 56.78 C ATOM 1038 H ILE A 347 28.342 -45.294 0.783 1.00 0.00 H ATOM 1039 N GLU A 348 27.608 -41.173 -0.410 1.00 62.08 N ATOM 1040 CA GLU A 348 27.900 -40.260 -1.512 1.00 61.57 C ATOM 1041 C GLU A 348 28.278 -38.878 -0.988 1.00 62.17 C ATOM 1042 O GLU A 348 27.613 -38.327 -0.107 1.00 54.33 O ATOM 1043 CB GLU A 348 26.692 -40.155 -2.447 1.00 67.92 C ATOM 1044 CG GLU A 348 26.258 -41.484 -3.052 1.00 69.40 C ATOM 1045 CD GLU A 348 25.010 -41.358 -3.905 1.00 70.23 C ATOM 1046 OE1 GLU A 348 24.517 -40.224 -4.084 1.00 71.74 O ATOM 1047 OE2 GLU A 348 24.518 -42.395 -4.396 1.00 72.34 O ATOM 1048 H GLU A 348 26.885 -40.906 0.288 1.00 0.00 H TER 1049 GLU A 348 HETATM 1050 O HOH 1 22.060 -30.809 4.106 1.00 21.95 O HETATM 1051 O HOH 2 15.681 -56.320 10.670 1.00 31.77 O HETATM 1052 O HOH 3 26.580 -32.557 14.698 1.00 30.12 O HETATM 1053 O HOH 4 8.473 -50.988 3.048 1.00 33.52 O HETATM 1054 O HOH 5 16.869 -32.408 18.476 1.00 33.01 O HETATM 1055 O HOH 6 21.671 -50.167 20.831 1.00 36.66 O HETATM 1056 O HOH 7 12.700 -38.632 23.603 1.00 31.53 O HETATM 1057 O HOH 8 20.097 -47.660 21.487 1.00 30.83 O HETATM 1058 O HOH 9 30.507 -42.383 7.561 1.00 40.42 O HETATM 1059 O HOH 10 17.947 -52.316 0.994 1.00 35.81 O HETATM 1060 O HOH 11 16.117 -55.440 4.552 1.00 35.86 O HETATM 1061 O HOH 12 11.723 -32.111 0.613 1.00 27.62 O HETATM 1062 O HOH 13 2.951 -44.605 2.931 1.00 36.00 O HETATM 1063 O HOH 14 0.012 -48.224 14.150 1.00 29.77 O HETATM 1064 O HOH 15 6.963 -40.331 22.659 1.00 40.42 O HETATM 1065 O HOH 16 7.773 -49.755 10.871 1.00 30.22 O HETATM 1066 O HOH 17 18.196 -47.388 23.835 1.00 31.16 O HETATM 1067 O HOH 18 22.111 -53.753 18.369 1.00 37.76 O HETATM 1068 O HOH 19 17.864 -32.844 20.850 1.00 33.82 O HETATM 1069 O HOH 20 8.810 -42.372 23.660 1.00 46.20 O HETATM 1070 O HOH 21 15.389 -39.472 23.333 1.00 38.12 O HETATM 1071 O HOH 22 -0.584 -40.781 16.181 1.00 34.61 O HETATM 1072 O HOH 23 10.857 -32.513 21.790 1.00 37.51 O HETATM 1073 O HOH 24 17.404 -59.691 5.918 1.00 51.98 O HETATM 1074 O HOH 25 21.195 -57.740 -1.015 1.00 34.33 O HETATM 1075 O HOH 26 22.244 -55.555 15.331 1.00 45.64 O HETATM 1076 O HOH 27 25.837 -37.132 18.135 1.00 48.16 O HETATM 1077 O HOH 28 10.640 -42.293 -3.364 1.00 56.13 O HETATM 1078 O HOH 29 31.085 -41.058 5.423 1.00 40.85 O HETATM 1079 O HOH 30 16.011 -44.385 25.448 1.00 44.45 O HETATM 1080 O HOH 31 4.250 -35.125 17.240 1.00 51.60 O HETATM 1081 O HOH 32 27.491 -50.185 17.177 1.00 48.21 O HETATM 1082 O HOH 33 1.507 -36.645 17.802 1.00 55.38 O HETATM 1083 O HOH 34 24.992 -52.329 -1.136 1.00 47.98 O HETATM 1084 O HOH 35 6.878 -27.470 1.749 1.00 53.20 O HETATM 1085 O HOH 36 7.695 -43.853 25.584 1.00 50.31 O HETATM 1086 O HOH 37 11.244 -35.979 24.016 1.00 52.90 O HETATM 1087 O HOH 38 20.529 -30.590 6.580 1.00 32.55 O HETATM 1088 O HOH 39 18.592 -30.136 7.102 1.00 26.12 O HETATM 1089 O HOH 40 6.815 -54.659 4.882 1.00 34.74 O HETATM 1090 CAH MOL A 41 16.563 -43.516 10.867 1.00 0.01 C HETATM 1091 CAG MOL A 41 15.277 -43.151 11.262 1.00 0.07 C HETATM 1092 CAO MOL A 41 14.792 -41.897 10.958 1.00 0.23 C HETATM 1093 CAP MOL A 41 15.589 -40.998 10.267 1.00 0.10 C HETATM 1094 CAQ MOL A 41 16.864 -41.378 9.865 1.00 0.20 C HETATM 1095 CAI MOL A 41 17.375 -42.642 10.156 1.00 0.04 C HETATM 1096 H3 MOL A 41 18.370 -42.932 9.839 1.00 0.12 H HETATM 1097 FAR MOL A 41 17.605 -40.515 9.189 1.00 -0.16 F HETATM 1098 H4 MOL A 41 15.220 -40.004 10.041 1.00 0.10 H HETATM 1099 NAN MOL A 41 13.523 -41.507 11.370 1.00 -0.14 N HETATM 1100 CAM MOL A 41 12.462 -41.332 10.516 1.00 0.26 C HETATM 1101 CAL MOL A 41 11.205 -40.932 10.923 1.00 0.23 C HETATM 1102 NAT MOL A 41 10.906 -40.654 12.357 1.00 -0.17 N HETATM 1103 OAS MOL A 41 9.795 -40.309 12.680 1.00 -0.47 O HETATM 1104 OAU MOL A 41 11.795 -40.781 13.152 1.00 -0.47 O HETATM 1105 CAK MOL A 41 10.148 -40.774 9.958 1.00 0.18 C HETATM 1106 CAD MOL A 41 10.421 -41.037 8.555 1.00 0.15 C HETATM 1107 CAE MOL A 41 11.737 -41.451 8.161 1.00 0.03 C HETATM 1108 CAF MOL A 41 12.700 -41.569 9.114 1.00 0.07 C HETATM 1109 H6 MOL A 41 13.698 -41.856 8.803 1.00 0.11 H HETATM 1110 H7 MOL A 41 11.960 -41.666 7.122 1.00 0.09 H HETATM 1111 NAC MOL A 41 9.267 -40.800 7.871 1.00 -0.04 N HETATM 1112 OAB MOL A 41 8.366 -40.432 8.780 1.00 -0.02 O HETATM 1113 NAJ MOL A 41 8.844 -40.389 10.025 1.00 -0.06 N HETATM 1114 H5 MOL A 41 13.370 -41.340 12.375 1.00 0.35 H HETATM 1115 H2 MOL A 41 14.658 -43.853 11.808 1.00 0.11 H HETATM 1116 H1 MOL A 41 16.937 -44.502 11.120 1.00 0.08 H CONECT 1 2 12 13 14 CONECT 12 1 CONECT 13 1 CONECT 14 1 CONECT 909 910 915 916 917 CONECT 916 909 CONECT 917 909 CONECT 1090 1091 1095 1116 CONECT 1091 1090 1092 1115 CONECT 1092 1091 1093 1099 CONECT 1093 1092 1094 1098 CONECT 1094 1093 1095 1097 CONECT 1095 1090 1094 1096 CONECT 1096 1095 CONECT 1097 1094 CONECT 1098 1093 CONECT 1099 1092 1100 1114 CONECT 1100 1099 1101 1108 CONECT 1101 1100 1102 1105 CONECT 1102 1101 1103 1104 CONECT 1103 1102 CONECT 1104 1102 CONECT 1105 1101 1106 1113 CONECT 1106 1105 1107 1111 CONECT 1107 1106 1108 1110 CONECT 1108 1100 1107 1109 CONECT 1109 1108 CONECT 1110 1107 CONECT 1111 1106 1112 CONECT 1112 1111 1113 CONECT 1113 1105 1112 CONECT 1114 1099 CONECT 1115 1091 CONECT 1116 1090 MASTER 0 0 0 0 0 0 0 0 1114 2 34 10 END
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Related entries of code: 4gs9
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3f1p
RCSB PDB
PDBbind
121aa, >3F1P_2|Chain... *
4ghi
RCSB PDB
PDBbind
121aa, >4GHI_2|Chain... at 100%
4xt2
RCSB PDB
PDBbind
121aa, >4XT2_1|Chains... at 100%
5tbm
RCSB PDB
PDBbind
117aa, >5TBM_2|Chain... at 95%
5ufp
RCSB PDB
PDBbind
117aa, >5UFP_2|Chain... at 95%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4gs9
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Endothelial PAS domain-containing protein 1 (R247E mutation) & Aryl hydrocarbon receptor nuclear translocator (E362R mutation)
Ligand Name
0XB
EC.Number
E.C.-.-.-.-
Resolution
1.72(Å)
Affinity (Kd/Ki/IC50)
Kd=2.2uM
Release Year
2013
Protein/NA Sequence
Check fasta file
Primary Reference
(2013) J.Med.Chem. Vol. 56: pp. 1739-1747
Ligand Properties
Formula
C
1
2
H
7
FN
4
O
3
Molecular Weight
274.207
Exact Mass
274.050
No. of atoms
27
No. of bonds
29
Polar Surface Area
96.77
LOGP Value
3.20 (
Computed with XLOGP3
)
3.61 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 3
Canonical SMILES
Fc1cccc(c1)Nc1ccc2c(c1N(=O)=O)non2
InChI String
InChI=1S/C12H7FN4O3/c13-7-2-1-3-8(6-7)14-10-5-4-9-11(16-20-15-9)12(10)17(18)19/h1-6,14H
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):
Q99814
P27540
Entrez Gene ID
NCBI Entrez Gene ID:
2034
405
ASD
Information of known allosteric effects of PDB entries
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