Browse entries in the PDBbind-CN Database
HEADER 4JOK_COMPLEX COMPND 4JOK_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 ASN A 202 150 ATOM 1 N GLY A 284 7.563 18.978 -1.841 1.00 11.41 N ATOM 2 CA GLY A 284 6.601 17.942 -2.163 1.00 10.94 C ATOM 3 C GLY A 284 5.190 18.475 -2.044 1.00 8.70 C ATOM 4 O GLY A 284 4.996 19.677 -1.845 1.00 9.26 O ATOM 5 HN3 GLY A 284 7.405 19.305 -0.866 1.00 0.00 H ATOM 6 HN2 GLY A 284 7.445 19.775 -2.499 1.00 0.00 H ATOM 7 HN1 GLY A 284 8.526 18.594 -1.928 1.00 0.00 H ATOM 8 N PRO A 285 4.197 17.590 -2.149 1.00 10.36 N ATOM 9 CA PRO A 285 2.808 18.027 -2.040 1.00 9.50 C ATOM 10 C PRO A 285 2.446 18.335 -0.600 1.00 8.77 C ATOM 11 O PRO A 285 2.947 17.696 0.326 1.00 9.81 O ATOM 12 CB PRO A 285 2.025 16.801 -2.513 1.00 12.49 C ATOM 13 CG PRO A 285 2.904 15.651 -2.158 1.00 12.13 C ATOM 14 CD PRO A 285 4.308 16.138 -2.372 1.00 11.12 C ATOM 15 N ILE A 286 1.583 19.316 -0.405 1.00 9.10 N ATOM 16 CA ILE A 286 1.041 19.554 0.918 1.00 9.90 C ATOM 17 C ILE A 286 0.131 18.384 1.287 1.00 9.17 C ATOM 18 O ILE A 286 -0.680 17.927 0.472 1.00 10.49 O ATOM 19 CB ILE A 286 0.278 20.881 0.971 1.00 10.75 C ATOM 20 CG1 ILE A 286 1.238 22.041 0.693 1.00 12.34 C ATOM 21 CG2 ILE A 286 -0.396 21.058 2.318 1.00 11.78 C ATOM 22 CD1 ILE A 286 0.575 23.389 0.590 1.00 13.36 C ATOM 23 H ILE A 286 1.292 19.918 -1.202 1.00 0.00 H ATOM 24 N ARG A 287 0.292 17.877 2.507 1.00 9.27 N ATOM 25 CA ARG A 287 -0.485 16.743 3.010 1.00 9.25 C ATOM 26 C ARG A 287 -1.270 17.129 4.253 1.00 7.71 C ATOM 27 O ARG A 287 -0.818 17.950 5.059 1.00 9.46 O ATOM 28 CB ARG A 287 0.435 15.585 3.412 1.00 10.23 C ATOM 29 CG ARG A 287 1.122 14.882 2.270 1.00 15.96 C ATOM 30 CD ARG A 287 2.610 14.798 2.523 1.00 14.20 C ATOM 31 NE ARG A 287 2.944 14.201 3.818 1.00 10.66 N ATOM 32 CZ ARG A 287 4.035 14.519 4.507 1.00 8.60 C ATOM 33 NH1 ARG A 287 4.868 15.435 4.033 1.00 8.79 N ATOM 34 NH2 ARG A 287 4.284 13.942 5.674 1.00 7.98 N ATOM 35 HE ARG A 287 2.295 13.493 4.218 1.00 0.00 H ATOM 36 HH12 ARG A 287 5.723 15.687 4.569 1.00 0.00 H ATOM 37 HH11 ARG A 287 4.666 15.901 3.126 1.00 0.00 H ATOM 38 HH22 ARG A 287 5.140 14.196 6.208 1.00 0.00 H ATOM 39 HH21 ARG A 287 3.624 13.235 6.056 1.00 0.00 H ATOM 40 H ARG A 287 1.003 18.307 3.132 1.00 0.00 H ATOM 41 N LYS A 288 -2.428 16.505 4.436 1.00 7.89 N ATOM 42 CA LYS A 288 -3.150 16.583 5.698 1.00 8.42 C ATOM 43 C LYS A 288 -3.021 15.242 6.404 1.00 7.00 C ATOM 44 O LYS A 288 -3.251 14.196 5.794 1.00 10.17 O ATOM 45 CB LYS A 288 -4.617 16.948 5.468 1.00 13.45 C ATOM 46 CG LYS A 288 -4.796 18.374 4.960 1.00 21.87 C ATOM 47 CD LYS A 288 -6.186 18.918 5.234 1.00 29.57 C ATOM 48 CE LYS A 288 -6.209 20.433 5.097 1.00 35.49 C ATOM 49 NZ LYS A 288 -5.264 21.090 6.047 1.00 39.60 N ATOM 50 HZ1 LYS A 288 -5.529 20.846 7.022 1.00 0.00 H ATOM 51 HZ2 LYS A 288 -4.297 20.759 5.856 1.00 0.00 H ATOM 52 HZ3 LYS A 288 -5.310 22.121 5.922 1.00 0.00 H ATOM 53 H LYS A 288 -2.830 15.946 3.657 1.00 0.00 H ATOM 54 N VAL A 289 -2.643 15.280 7.680 1.00 6.28 N ATOM 55 CA VAL A 289 -2.328 14.079 8.444 1.00 6.43 C ATOM 56 C VAL A 289 -3.049 14.125 9.786 1.00 6.30 C ATOM 57 O VAL A 289 -3.030 15.156 10.468 1.00 7.16 O ATOM 58 CB VAL A 289 -0.808 13.998 8.687 1.00 7.32 C ATOM 59 CG1 VAL A 289 -0.460 12.836 9.594 1.00 8.24 C ATOM 60 CG2 VAL A 289 -0.060 13.904 7.358 1.00 9.06 C ATOM 61 H VAL A 289 -2.569 16.204 8.151 1.00 0.00 H ATOM 62 N LEU A 290 -3.676 13.018 10.173 1.00 5.53 N ATOM 63 CA LEU A 290 -4.369 12.929 11.452 1.00 5.18 C ATOM 64 C LEU A 290 -3.488 12.232 12.476 1.00 5.22 C ATOM 65 O LEU A 290 -2.894 11.190 12.178 1.00 6.01 O ATOM 66 CB LEU A 290 -5.664 12.138 11.280 1.00 6.00 C ATOM 67 CG LEU A 290 -6.536 11.924 12.515 1.00 7.08 C ATOM 68 CD1 LEU A 290 -7.046 13.252 13.048 1.00 11.42 C ATOM 69 CD2 LEU A 290 -7.691 11.009 12.184 1.00 9.00 C ATOM 70 H LEU A 290 -3.672 12.190 9.544 1.00 0.00 H ATOM 71 N LEU A 291 -3.438 12.783 13.684 1.00 5.11 N ATOM 72 CA LEU A 291 -2.692 12.207 14.790 1.00 5.11 C ATOM 73 C LEU A 291 -3.663 12.034 15.950 1.00 4.94 C ATOM 74 O LEU A 291 -4.463 12.929 16.228 1.00 6.05 O ATOM 75 CB LEU A 291 -1.542 13.149 15.168 1.00 5.99 C ATOM 76 CG LEU A 291 -0.645 12.784 16.353 1.00 5.88 C ATOM 77 CD1 LEU A 291 0.754 13.366 16.160 1.00 6.71 C ATOM 78 CD2 LEU A 291 -1.239 13.265 17.657 1.00 6.95 C ATOM 79 H LEU A 291 -3.958 13.669 13.846 1.00 0.00 H ATOM 80 N LEU A 292 -3.605 10.880 16.607 1.00 4.78 N ATOM 81 CA LEU A 292 -4.407 10.612 17.797 1.00 5.39 C ATOM 82 C LEU A 292 -3.474 10.538 19.000 1.00 5.10 C ATOM 83 O LEU A 292 -2.560 9.712 19.043 1.00 6.33 O ATOM 84 CB LEU A 292 -5.179 9.299 17.659 1.00 6.27 C ATOM 85 CG LEU A 292 -6.591 9.390 17.082 1.00 7.01 C ATOM 86 CD1 LEU A 292 -6.623 10.128 15.761 1.00 8.20 C ATOM 87 CD2 LEU A 292 -7.217 8.013 16.946 1.00 7.33 C ATOM 88 H LEU A 292 -2.963 10.139 16.260 1.00 0.00 H ATOM 89 N LYS A 293 -3.721 11.406 19.981 1.00 7.94 N ATOM 90 CA LYS A 293 -2.871 11.585 21.168 1.00 14.92 C ATOM 91 C LYS A 293 -3.739 11.329 22.394 1.00 10.92 C ATOM 92 O LYS A 293 -4.862 11.823 22.467 1.00 9.62 O ATOM 93 CB LYS A 293 -2.312 13.034 21.236 1.00 16.17 C ATOM 94 CG LYS A 293 -1.204 13.276 22.289 1.00 12.58 C ATOM 95 CD LYS A 293 -0.733 14.724 22.374 1.00 11.50 C ATOM 96 CE LYS A 293 -1.686 15.599 23.147 1.00 10.68 C ATOM 97 NZ LYS A 293 -1.873 15.022 24.490 1.00 9.15 N ATOM 98 HZ1 LYS A 293 -2.265 14.063 24.402 1.00 0.00 H ATOM 99 HZ2 LYS A 293 -0.956 14.980 24.979 1.00 0.00 H ATOM 100 HZ3 LYS A 293 -2.530 15.618 25.034 1.00 0.00 H ATOM 101 H LYS A 293 -4.573 11.997 19.902 1.00 0.00 H ATOM 102 N GLU A 294 -3.227 10.577 23.363 1.00 10.41 N ATOM 103 CA GLU A 294 -3.909 10.472 24.637 1.00 9.78 C ATOM 104 C GLU A 294 -3.450 11.620 25.552 1.00 8.12 C ATOM 105 O GLU A 294 -2.412 12.256 25.338 1.00 6.60 O ATOM 106 CB GLU A 294 -3.684 9.094 25.268 1.00 10.51 C ATOM 107 CG GLU A 294 -4.020 7.912 24.350 1.00 12.49 C ATOM 108 CD GLU A 294 -5.464 7.896 23.845 1.00 9.36 C ATOM 109 OE1 GLU A 294 -6.330 8.627 24.382 1.00 12.31 O ATOM 110 OE2 GLU A 294 -5.735 7.123 22.894 1.00 12.98 O ATOM 111 H GLU A 294 -2.336 10.064 23.207 1.00 0.00 H ATOM 112 N ASP A 295 -4.231 11.883 26.582 1.00 9.62 N ATOM 113 CA ASP A 295 -4.003 13.071 27.379 1.00 9.30 C ATOM 114 C ASP A 295 -2.742 13.023 28.258 1.00 8.57 C ATOM 115 O ASP A 295 -2.286 14.051 28.745 1.00 10.54 O ATOM 116 CB ASP A 295 -5.231 13.370 28.235 1.00 9.72 C ATOM 117 CG ASP A 295 -6.412 13.870 27.423 1.00 11.71 C ATOM 118 OD1 ASP A 295 -6.234 14.265 26.248 1.00 13.28 O ATOM 119 OD2 ASP A 295 -7.531 13.894 27.978 1.00 16.28 O ATOM 120 H ASP A 295 -5.010 11.238 26.822 1.00 0.00 H ATOM 121 N HIS A 296 -2.172 11.843 28.445 1.00 6.71 N ATOM 122 CA HIS A 296 -0.977 11.694 29.267 1.00 5.94 C ATOM 123 C HIS A 296 0.298 11.791 28.434 1.00 5.61 C ATOM 124 O HIS A 296 1.400 11.657 28.974 1.00 7.03 O ATOM 125 CB HIS A 296 -1.007 10.342 29.971 1.00 7.10 C ATOM 126 CG HIS A 296 -0.844 9.185 29.041 1.00 6.83 C ATOM 127 ND1 HIS A 296 -1.771 8.879 28.073 1.00 7.93 N ATOM 128 CD2 HIS A 296 0.154 8.277 28.918 1.00 8.08 C ATOM 129 CE1 HIS A 296 -1.357 7.816 27.399 1.00 9.18 C ATOM 130 NE2 HIS A 296 -0.191 7.439 27.888 1.00 8.63 N ATOM 131 H HIS A 296 -2.586 11.002 27.995 1.00 0.00 H ATOM 132 N GLU A 297 0.146 12.020 27.133 1.00 5.22 N ATOM 133 CA GLU A 297 1.254 11.989 26.181 1.00 6.36 C ATOM 134 C GLU A 297 1.551 13.358 25.601 1.00 5.80 C ATOM 135 O GLU A 297 0.678 14.227 25.567 1.00 6.27 O ATOM 136 CB GLU A 297 0.888 11.094 24.998 1.00 8.51 C ATOM 137 CG GLU A 297 0.581 9.673 25.361 1.00 7.97 C ATOM 138 CD GLU A 297 0.327 8.831 24.135 1.00 7.91 C ATOM 139 OE1 GLU A 297 -0.740 9.009 23.512 1.00 9.91 O ATOM 140 OE2 GLU A 297 1.218 8.035 23.799 1.00 11.95 O ATOM 141 H GLU A 297 -0.808 12.231 26.776 1.00 0.00 H ATOM 142 N GLY A 298 2.777 13.526 25.106 1.00 5.80 N ATOM 143 CA GLY A 298 3.077 14.611 24.200 1.00 5.89 C ATOM 144 C GLY A 298 2.849 14.157 22.766 1.00 4.47 C ATOM 145 O GLY A 298 2.304 13.067 22.507 1.00 5.74 O ATOM 146 H GLY A 298 3.532 12.864 25.377 1.00 0.00 H ATOM 147 N LEU A 299 3.271 14.992 21.825 1.00 4.66 N ATOM 148 CA LEU A 299 3.122 14.655 20.422 1.00 5.21 C ATOM 149 C LEU A 299 4.135 13.620 19.962 1.00 4.72 C ATOM 150 O LEU A 299 3.866 12.849 19.029 1.00 6.04 O ATOM 151 CB LEU A 299 3.267 15.912 19.569 1.00 5.38 C ATOM 152 CG LEU A 299 2.116 16.914 19.703 1.00 5.61 C ATOM 153 CD1 LEU A 299 2.488 18.256 19.105 1.00 7.89 C ATOM 154 CD2 LEU A 299 0.859 16.371 19.062 1.00 7.04 C ATOM 155 H LEU A 299 3.712 15.894 22.095 1.00 0.00 H ATOM 156 N GLY A 300 5.307 13.601 20.587 1.00 5.20 N ATOM 157 CA GLY A 300 6.359 12.700 20.146 1.00 5.95 C ATOM 158 C GLY A 300 7.177 13.225 18.977 1.00 4.83 C ATOM 159 O GLY A 300 7.616 12.441 18.124 1.00 5.64 O ATOM 160 H GLY A 300 5.473 14.234 21.396 1.00 0.00 H ATOM 161 N ILE A 301 7.391 14.535 18.928 1.00 5.41 N ATOM 162 CA ILE A 301 8.248 15.116 17.907 1.00 5.74 C ATOM 163 C ILE A 301 9.199 16.107 18.529 1.00 5.43 C ATOM 164 O ILE A 301 8.958 16.627 19.629 1.00 6.94 O ATOM 165 CB ILE A 301 7.459 15.790 16.771 1.00 7.84 C ATOM 166 CG1 ILE A 301 6.668 16.988 17.279 1.00 8.83 C ATOM 167 CG2 ILE A 301 6.561 14.781 16.079 1.00 9.34 C ATOM 168 CD1 ILE A 301 5.872 17.684 16.182 1.00 9.11 C ATOM 169 H ILE A 301 6.939 15.154 19.630 1.00 0.00 H ATOM 170 N SER A 302 10.311 16.334 17.849 1.00 5.69 N ATOM 171 CA SER A 302 11.117 17.513 18.114 1.00 6.28 C ATOM 172 C SER A 302 10.934 18.465 16.956 1.00 6.11 C ATOM 173 O SER A 302 10.889 18.035 15.795 1.00 6.64 O ATOM 174 CB SER A 302 12.589 17.162 18.261 1.00 8.15 C ATOM 175 OG SER A 302 12.779 16.302 19.362 1.00 10.60 O ATOM 176 HG SER A 302 13.741 16.082 19.445 1.00 0.00 H ATOM 177 H SER A 302 10.612 15.660 17.116 1.00 0.00 H ATOM 178 N ILE A 303 10.807 19.751 17.278 1.00 6.01 N ATOM 179 CA ILE A 303 10.708 20.776 16.257 1.00 5.86 C ATOM 180 C ILE A 303 11.860 21.750 16.359 1.00 6.54 C ATOM 181 O ILE A 303 12.392 22.019 17.440 1.00 6.52 O ATOM 182 CB ILE A 303 9.371 21.560 16.299 1.00 6.57 C ATOM 183 CG1 ILE A 303 9.141 22.230 17.656 1.00 7.03 C ATOM 184 CG2 ILE A 303 8.207 20.663 15.899 1.00 7.59 C ATOM 185 CD1 ILE A 303 8.058 23.290 17.602 1.00 8.19 C ATOM 186 H ILE A 303 10.778 20.025 18.281 1.00 0.00 H ATOM 187 N THR A 304 12.247 22.279 15.213 1.00 6.26 N ATOM 188 CA THR A 304 13.267 23.302 15.165 1.00 7.25 C ATOM 189 C THR A 304 12.798 24.390 14.215 1.00 6.77 C ATOM 190 O THR A 304 11.803 24.227 13.512 1.00 10.80 O ATOM 191 CB THR A 304 14.618 22.705 14.725 1.00 9.23 C ATOM 192 OG1 THR A 304 15.658 23.670 14.918 1.00 11.50 O ATOM 193 CG2 THR A 304 14.578 22.262 13.272 1.00 11.96 C ATOM 194 HG1 THR A 304 15.704 23.917 15.876 1.00 0.00 H ATOM 195 H THR A 304 11.809 21.953 14.328 1.00 0.00 H ATOM 196 N GLY A 305 13.488 25.520 14.198 1.00 7.48 N ATOM 197 CA GLY A 305 13.108 26.595 13.306 1.00 7.01 C ATOM 198 C GLY A 305 12.140 27.581 13.918 1.00 6.54 C ATOM 199 O GLY A 305 11.972 27.647 15.132 1.00 8.33 O ATOM 200 H GLY A 305 14.307 25.636 14.829 1.00 0.00 H ATOM 201 N GLY A 306 11.527 28.380 13.060 1.00 6.84 N ATOM 202 CA GLY A 306 10.652 29.447 13.495 1.00 8.82 C ATOM 203 C GLY A 306 10.934 30.739 12.756 1.00 6.95 C ATOM 204 O GLY A 306 12.033 30.968 12.240 1.00 7.38 O ATOM 205 H GLY A 306 11.679 28.237 12.041 1.00 0.00 H ATOM 206 N LYS A 307 9.930 31.602 12.737 1.00 7.63 N ATOM 207 CA LYS A 307 9.976 32.822 11.957 1.00 9.30 C ATOM 208 C LYS A 307 11.172 33.701 12.290 1.00 8.66 C ATOM 209 O LYS A 307 11.734 34.353 11.401 1.00 10.31 O ATOM 210 CB LYS A 307 8.671 33.592 12.152 1.00 10.29 C ATOM 211 CG LYS A 307 8.623 34.930 11.444 1.00 17.38 C ATOM 212 CD LYS A 307 8.646 34.767 9.938 1.00 26.71 C ATOM 213 CE LYS A 307 8.649 36.124 9.252 1.00 33.91 C ATOM 214 NZ LYS A 307 7.618 37.027 9.836 1.00 33.73 N ATOM 215 HZ1 LYS A 307 6.678 36.598 9.720 1.00 0.00 H ATOM 216 HZ2 LYS A 307 7.814 37.166 10.848 1.00 0.00 H ATOM 217 HZ3 LYS A 307 7.645 37.944 9.347 1.00 0.00 H ATOM 218 H LYS A 307 9.080 31.397 13.301 1.00 0.00 H ATOM 219 N GLU A 308 11.567 33.729 13.557 1.00 9.15 N ATOM 220 CA GLU A 308 12.667 34.598 13.958 1.00 11.24 C ATOM 221 C GLU A 308 13.986 34.132 13.351 1.00 9.70 C ATOM 222 O GLU A 308 14.960 34.897 13.305 1.00 11.97 O ATOM 223 CB GLU A 308 12.768 34.693 15.485 1.00 13.42 C ATOM 224 CG GLU A 308 13.285 33.433 16.190 1.00 12.03 C ATOM 225 CD GLU A 308 12.186 32.460 16.615 1.00 9.34 C ATOM 226 OE1 GLU A 308 11.272 32.178 15.820 1.00 9.44 O ATOM 227 OE2 GLU A 308 12.253 31.947 17.751 1.00 13.45 O ATOM 228 H GLU A 308 11.092 33.131 14.263 1.00 0.00 H ATOM 229 N HIS A 309 14.004 32.899 12.854 1.00 9.22 N ATOM 230 CA HIS A 309 15.177 32.325 12.202 1.00 10.28 C ATOM 231 C HIS A 309 15.039 32.274 10.688 1.00 11.06 C ATOM 232 O HIS A 309 15.948 31.817 9.998 1.00 13.27 O ATOM 233 CB HIS A 309 15.438 30.917 12.731 1.00 12.10 C ATOM 234 CG HIS A 309 15.565 30.867 14.215 1.00 10.46 C ATOM 235 ND1 HIS A 309 16.567 31.528 14.891 1.00 12.32 N ATOM 236 CD2 HIS A 309 14.796 30.275 15.156 1.00 12.57 C ATOM 237 CE1 HIS A 309 16.418 31.333 16.188 1.00 11.95 C ATOM 238 NE2 HIS A 309 15.351 30.576 16.376 1.00 12.93 N ATOM 239 H HIS A 309 13.145 32.318 12.933 1.00 0.00 H ATOM 240 N GLY A 310 13.902 32.730 10.175 1.00 9.63 N ATOM 241 CA GLY A 310 13.642 32.681 8.748 1.00 11.89 C ATOM 242 C GLY A 310 13.494 31.263 8.215 1.00 12.20 C ATOM 243 O GLY A 310 13.737 31.020 7.031 1.00 15.38 O ATOM 244 H GLY A 310 13.182 33.131 10.810 1.00 0.00 H ATOM 245 N VAL A 311 13.077 30.341 9.085 1.00 11.37 N ATOM 246 CA VAL A 311 12.941 28.920 8.764 1.00 12.59 C ATOM 247 C VAL A 311 11.555 28.467 9.228 1.00 11.33 C ATOM 248 O VAL A 311 11.071 28.950 10.242 1.00 10.26 O ATOM 249 CB VAL A 311 14.016 28.098 9.520 1.00 23.96 C ATOM 250 CG1 VAL A 311 13.764 26.598 9.405 1.00 25.70 C ATOM 251 CG2 VAL A 311 15.410 28.460 9.021 1.00 28.75 C ATOM 252 H VAL A 311 12.834 30.651 10.048 1.00 0.00 H ATOM 253 N PRO A 312 10.900 27.549 8.488 1.00 11.15 N ATOM 254 CA PRO A 312 9.612 27.021 8.964 1.00 9.49 C ATOM 255 C PRO A 312 9.769 26.255 10.267 1.00 8.26 C ATOM 256 O PRO A 312 10.882 25.946 10.682 1.00 10.06 O ATOM 257 CB PRO A 312 9.196 26.050 7.855 1.00 11.50 C ATOM 258 CG PRO A 312 10.004 26.425 6.671 1.00 18.67 C ATOM 259 CD PRO A 312 11.288 26.972 7.190 1.00 13.97 C ATOM 260 N ILE A 313 8.646 25.941 10.899 1.00 8.34 N ATOM 261 CA ILE A 313 8.644 24.973 11.980 1.00 7.28 C ATOM 262 C ILE A 313 8.878 23.600 11.348 1.00 7.68 C ATOM 263 O ILE A 313 8.048 23.112 10.570 1.00 10.46 O ATOM 264 CB ILE A 313 7.313 24.996 12.741 1.00 7.46 C ATOM 265 CG1 ILE A 313 7.060 26.382 13.334 1.00 8.65 C ATOM 266 CG2 ILE A 313 7.279 23.927 13.812 1.00 8.06 C ATOM 267 CD1 ILE A 313 8.145 26.855 14.295 1.00 8.86 C ATOM 268 H ILE A 313 7.754 26.395 10.616 1.00 0.00 H ATOM 269 N LEU A 314 10.024 22.998 11.643 1.00 7.11 N ATOM 270 CA LEU A 314 10.429 21.756 10.998 1.00 7.60 C ATOM 271 C LEU A 314 10.482 20.616 11.998 1.00 6.58 C ATOM 272 O LEU A 314 10.986 20.778 13.111 1.00 7.12 O ATOM 273 CB LEU A 314 11.815 21.919 10.391 1.00 9.07 C ATOM 274 CG LEU A 314 11.935 22.854 9.197 1.00 14.39 C ATOM 275 CD1 LEU A 314 13.397 23.140 8.924 1.00 18.39 C ATOM 276 CD2 LEU A 314 11.266 22.234 7.982 1.00 15.36 C ATOM 277 H LEU A 314 10.650 23.425 12.355 1.00 0.00 H ATOM 278 N ILE A 315 10.002 19.440 11.597 1.00 6.74 N ATOM 279 CA ILE A 315 10.150 18.248 12.417 1.00 6.74 C ATOM 280 C ILE A 315 11.569 17.734 12.270 1.00 7.28 C ATOM 281 O ILE A 315 11.994 17.359 11.177 1.00 9.89 O ATOM 282 CB ILE A 315 9.149 17.155 12.009 1.00 7.07 C ATOM 283 CG1 ILE A 315 7.714 17.658 12.203 1.00 7.71 C ATOM 284 CG2 ILE A 315 9.409 15.887 12.797 1.00 7.89 C ATOM 285 CD1 ILE A 315 6.633 16.638 11.873 1.00 8.21 C ATOM 286 H ILE A 315 9.513 19.373 10.682 1.00 0.00 H ATOM 287 N SER A 316 12.313 17.721 13.365 1.00 7.47 N ATOM 288 CA SER A 316 13.684 17.227 13.331 1.00 8.01 C ATOM 289 C SER A 316 13.815 15.833 13.920 1.00 7.25 C ATOM 290 O SER A 316 14.802 15.152 13.665 1.00 9.47 O ATOM 291 CB SER A 316 14.633 18.190 14.044 1.00 11.11 C ATOM 292 OG SER A 316 14.236 18.361 15.387 1.00 10.29 O ATOM 293 HG SER A 316 14.858 18.986 15.837 1.00 0.00 H ATOM 294 H SER A 316 11.914 18.068 14.261 1.00 0.00 H ATOM 295 N GLU A 317 12.833 15.411 14.712 1.00 6.74 N ATOM 296 CA GLU A 317 12.809 14.057 15.265 1.00 7.64 C ATOM 297 C GLU A 317 11.387 13.545 15.388 1.00 6.95 C ATOM 298 O GLU A 317 10.480 14.301 15.759 1.00 5.50 O ATOM 299 CB GLU A 317 13.438 13.998 16.656 1.00 8.11 C ATOM 300 CG GLU A 317 14.861 14.477 16.740 1.00 10.54 C ATOM 301 CD GLU A 317 15.444 14.291 18.126 1.00 11.06 C ATOM 302 OE1 GLU A 317 14.870 14.819 19.103 1.00 14.55 O ATOM 303 OE2 GLU A 317 16.478 13.605 18.243 1.00 14.16 O ATOM 304 H GLU A 317 12.058 16.064 14.945 1.00 0.00 H ATOM 305 N ILE A 318 11.213 12.257 15.088 1.00 7.15 N ATOM 306 CA ILE A 318 9.972 11.545 15.365 1.00 7.16 C ATOM 307 C ILE A 318 10.360 10.497 16.402 1.00 7.48 C ATOM 308 O ILE A 318 11.162 9.595 16.117 1.00 8.97 O ATOM 309 CB ILE A 318 9.400 10.842 14.110 1.00 7.73 C ATOM 310 CG1 ILE A 318 8.987 11.873 13.054 1.00 9.59 C ATOM 311 CG2 ILE A 318 8.231 9.922 14.483 1.00 8.67 C ATOM 312 CD1 ILE A 318 7.710 12.616 13.360 1.00 10.75 C ATOM 313 H ILE A 318 11.995 11.740 14.638 1.00 0.00 H ATOM 314 N HIS A 319 9.834 10.614 17.610 1.00 6.89 N ATOM 315 CA HIS A 319 10.256 9.731 18.685 1.00 7.88 C ATOM 316 C HIS A 319 9.549 8.384 18.638 1.00 5.98 C ATOM 317 O HIS A 319 8.330 8.311 18.502 1.00 6.27 O ATOM 318 CB HIS A 319 10.121 10.458 20.010 1.00 8.80 C ATOM 319 CG HIS A 319 10.982 11.683 20.066 1.00 9.95 C ATOM 320 ND1 HIS A 319 10.469 12.959 20.134 1.00 13.20 N ATOM 321 CD2 HIS A 319 12.326 11.818 19.977 1.00 11.07 C ATOM 322 CE1 HIS A 319 11.466 13.830 20.130 1.00 11.80 C ATOM 323 NE2 HIS A 319 12.601 13.164 20.032 1.00 14.00 N ATOM 324 H HIS A 319 9.114 11.342 17.792 1.00 0.00 H ATOM 325 N PRO A 320 10.327 7.295 18.699 1.00 7.13 N ATOM 326 CA PRO A 320 9.717 5.992 18.422 1.00 7.34 C ATOM 327 C PRO A 320 8.624 5.633 19.413 1.00 6.49 C ATOM 328 O PRO A 320 8.801 5.779 20.621 1.00 7.61 O ATOM 329 CB PRO A 320 10.905 5.015 18.508 1.00 9.61 C ATOM 330 CG PRO A 320 11.946 5.740 19.300 1.00 10.29 C ATOM 331 CD PRO A 320 11.777 7.188 18.936 1.00 7.89 C ATOM 332 N GLY A 321 7.500 5.167 18.886 1.00 7.20 N ATOM 333 CA GLY A 321 6.410 4.674 19.703 1.00 7.92 C ATOM 334 C GLY A 321 5.468 5.730 20.261 1.00 7.18 C ATOM 335 O GLY A 321 4.444 5.384 20.858 1.00 7.81 O ATOM 336 H GLY A 321 7.397 5.155 17.851 1.00 0.00 H ATOM 337 N GLN A 322 5.793 7.002 20.072 1.00 5.42 N ATOM 338 CA GLN A 322 4.947 8.077 20.569 1.00 6.29 C ATOM 339 C GLN A 322 3.945 8.491 19.471 1.00 4.93 C ATOM 340 O GLN A 322 4.006 7.970 18.356 1.00 7.08 O ATOM 341 CB GLN A 322 5.811 9.225 21.098 1.00 3.75 C ATOM 342 CG GLN A 322 6.665 8.870 22.327 1.00 5.26 C ATOM 343 CD GLN A 322 7.362 10.110 22.901 1.00 6.80 C ATOM 344 OE1 GLN A 322 6.715 11.094 23.268 1.00 10.64 O ATOM 345 NE2 GLN A 322 8.684 10.067 22.960 1.00 8.14 N ATOM 346 HE22 GLN A 322 9.191 9.217 22.640 1.00 0.00 H ATOM 347 HE21 GLN A 322 9.215 10.883 23.326 1.00 0.00 H ATOM 348 H GLN A 322 6.668 7.235 19.560 1.00 0.00 H ATOM 349 N PRO A 323 2.997 9.389 19.783 1.00 4.83 N ATOM 350 CA PRO A 323 1.859 9.543 18.861 1.00 5.41 C ATOM 351 C PRO A 323 2.187 9.889 17.409 1.00 5.07 C ATOM 352 O PRO A 323 1.519 9.370 16.510 1.00 5.45 O ATOM 353 CB PRO A 323 1.012 10.624 19.535 1.00 5.58 C ATOM 354 CG PRO A 323 1.275 10.392 21.000 1.00 6.11 C ATOM 355 CD PRO A 323 2.747 10.069 21.071 1.00 5.60 C ATOM 356 N ALA A 324 3.174 10.734 17.163 1.00 4.64 N ATOM 357 CA ALA A 324 3.500 11.080 15.785 1.00 5.30 C ATOM 358 C ALA A 324 3.999 9.867 15.009 1.00 5.00 C ATOM 359 O ALA A 324 3.629 9.671 13.842 1.00 5.96 O ATOM 360 CB ALA A 324 4.514 12.202 15.735 1.00 6.19 C ATOM 361 H ALA A 324 3.715 11.149 17.948 1.00 0.00 H ATOM 362 N ASP A 325 4.841 9.054 15.639 1.00 5.16 N ATOM 363 CA ASP A 325 5.312 7.827 15.012 1.00 5.61 C ATOM 364 C ASP A 325 4.127 6.915 14.715 1.00 5.26 C ATOM 365 O ASP A 325 4.004 6.358 13.610 1.00 6.45 O ATOM 366 CB ASP A 325 6.294 7.131 15.956 1.00 5.93 C ATOM 367 CG ASP A 325 6.938 5.906 15.348 1.00 7.76 C ATOM 368 OD1 ASP A 325 7.165 5.890 14.118 1.00 9.70 O ATOM 369 OD2 ASP A 325 7.228 4.957 16.116 1.00 8.79 O ATOM 370 H ASP A 325 5.169 9.298 16.595 1.00 0.00 H ATOM 371 N ARG A 326 3.266 6.739 15.713 1.00 5.47 N ATOM 372 CA ARG A 326 2.126 5.844 15.569 1.00 5.65 C ATOM 373 C ARG A 326 1.153 6.273 14.470 1.00 6.17 C ATOM 374 O ARG A 326 0.537 5.415 13.829 1.00 7.07 O ATOM 375 CB ARG A 326 1.383 5.690 16.894 1.00 6.83 C ATOM 376 CG ARG A 326 2.270 5.205 18.031 1.00 7.17 C ATOM 377 CD ARG A 326 1.474 4.687 19.217 1.00 7.50 C ATOM 378 NE ARG A 326 0.481 5.609 19.772 1.00 7.66 N ATOM 379 CZ ARG A 326 0.634 6.324 20.889 1.00 7.49 C ATOM 380 NH1 ARG A 326 -0.378 7.055 21.333 1.00 8.83 N ATOM 381 NH2 ARG A 326 1.779 6.309 21.558 1.00 8.44 N ATOM 382 HE ARG A 326 -0.415 5.715 19.255 1.00 0.00 H ATOM 383 HH12 ARG A 326 -0.272 7.617 22.202 1.00 0.00 H ATOM 384 HH11 ARG A 326 -1.278 7.067 20.813 1.00 0.00 H ATOM 385 HH22 ARG A 326 1.881 6.872 22.426 1.00 0.00 H ATOM 386 HH21 ARG A 326 2.575 5.734 21.214 1.00 0.00 H ATOM 387 H ARG A 326 3.409 7.248 16.609 1.00 0.00 H ATOM 388 N CYS A 327 1.007 7.577 14.236 1.00 6.64 N ATOM 389 CA CYS A 327 0.030 8.038 13.245 1.00 6.87 C ATOM 390 C CYS A 327 0.457 7.686 11.828 1.00 6.26 C ATOM 391 O CYS A 327 -0.385 7.602 10.936 1.00 7.57 O ATOM 392 CB CYS A 327 -0.298 9.539 13.380 1.00 6.99 C ATOM 393 SG CYS A 327 0.776 10.714 12.503 1.00 7.22 S ATOM 394 H CYS A 327 1.586 8.267 14.756 1.00 0.00 H ATOM 395 N GLY A 328 1.759 7.506 11.609 1.00 7.22 N ATOM 396 CA GLY A 328 2.276 7.022 10.337 1.00 8.65 C ATOM 397 C GLY A 328 2.557 8.047 9.248 1.00 7.81 C ATOM 398 O GLY A 328 3.275 7.749 8.293 1.00 9.28 O ATOM 399 H GLY A 328 2.430 7.719 12.374 1.00 0.00 H ATOM 400 N GLY A 329 2.005 9.249 9.385 1.00 8.22 N ATOM 401 CA GLY A 329 2.064 10.232 8.319 1.00 8.60 C ATOM 402 C GLY A 329 2.966 11.433 8.522 1.00 7.18 C ATOM 403 O GLY A 329 2.989 12.313 7.660 1.00 8.82 O ATOM 404 H GLY A 329 1.521 9.489 10.274 1.00 0.00 H ATOM 405 N LEU A 330 3.680 11.494 9.648 1.00 7.49 N ATOM 406 CA LEU A 330 4.589 12.610 9.952 1.00 8.06 C ATOM 407 C LEU A 330 6.032 12.131 9.951 1.00 7.72 C ATOM 408 O LEU A 330 6.341 11.079 10.533 1.00 8.96 O ATOM 409 CB LEU A 330 4.279 13.217 11.316 1.00 7.86 C ATOM 410 CG LEU A 330 2.909 13.861 11.482 1.00 7.10 C ATOM 411 CD1 LEU A 330 2.713 14.304 12.926 1.00 9.48 C ATOM 412 CD2 LEU A 330 2.745 15.021 10.517 1.00 7.88 C ATOM 413 H LEU A 330 3.590 10.721 10.338 1.00 0.00 H ATOM 414 N HIS A 331 6.924 12.902 9.331 1.00 7.69 N ATOM 415 CA HIS A 331 8.299 12.447 9.139 1.00 8.34 C ATOM 416 C HIS A 331 9.317 13.548 9.341 1.00 7.03 C ATOM 417 O HIS A 331 9.013 14.731 9.177 1.00 7.49 O ATOM 418 CB HIS A 331 8.451 11.863 7.743 1.00 10.08 C ATOM 419 CG HIS A 331 7.403 10.851 7.421 1.00 10.57 C ATOM 420 ND1 HIS A 331 7.376 9.603 8.008 1.00 12.59 N ATOM 421 CD2 HIS A 331 6.324 10.915 6.611 1.00 10.47 C ATOM 422 CE1 HIS A 331 6.332 8.934 7.554 1.00 15.59 C ATOM 423 NE2 HIS A 331 5.677 9.704 6.705 1.00 13.22 N ATOM 424 H HIS A 331 6.638 13.838 8.980 1.00 0.00 H ATOM 425 N VAL A 332 10.535 13.149 9.694 1.00 8.17 N ATOM 426 CA VAL A 332 11.626 14.098 9.820 1.00 9.17 C ATOM 427 C VAL A 332 11.797 14.849 8.505 1.00 8.67 C ATOM 428 O VAL A 332 11.812 14.252 7.429 1.00 9.57 O ATOM 429 CB VAL A 332 12.937 13.397 10.215 1.00 9.22 C ATOM 430 CG1 VAL A 332 14.118 14.350 10.112 1.00 12.38 C ATOM 431 CG2 VAL A 332 12.824 12.832 11.620 1.00 11.40 C ATOM 432 H VAL A 332 10.709 12.141 9.883 1.00 0.00 H ATOM 433 N GLY A 333 11.902 16.167 8.600 1.00 8.51 N ATOM 434 CA GLY A 333 12.054 17.001 7.425 1.00 10.16 C ATOM 435 C GLY A 333 10.750 17.645 7.006 1.00 8.47 C ATOM 436 O GLY A 333 10.759 18.563 6.182 1.00 11.53 O ATOM 437 H GLY A 333 11.875 16.613 9.539 1.00 0.00 H ATOM 438 N ASP A 334 9.627 17.176 7.547 1.00 8.48 N ATOM 439 CA ASP A 334 8.357 17.835 7.270 1.00 7.80 C ATOM 440 C ASP A 334 8.320 19.218 7.911 1.00 7.33 C ATOM 441 O ASP A 334 8.717 19.396 9.069 1.00 8.40 O ATOM 442 CB ASP A 334 7.178 17.039 7.837 1.00 7.52 C ATOM 443 CG ASP A 334 6.796 15.841 6.991 1.00 8.05 C ATOM 444 OD1 ASP A 334 7.129 15.800 5.782 1.00 8.82 O ATOM 445 OD2 ASP A 334 6.120 14.940 7.544 1.00 7.55 O ATOM 446 H ASP A 334 9.656 16.341 8.166 1.00 0.00 H ATOM 447 N ALA A 335 7.819 20.189 7.163 1.00 7.29 N ATOM 448 CA ALA A 335 7.477 21.491 7.708 1.00 7.54 C ATOM 449 C ALA A 335 6.027 21.447 8.155 1.00 6.90 C ATOM 450 O ALA A 335 5.161 20.944 7.429 1.00 7.79 O ATOM 451 CB ALA A 335 7.682 22.587 6.667 1.00 8.70 C ATOM 452 H ALA A 335 7.665 20.013 6.150 1.00 0.00 H ATOM 453 N ILE A 336 5.768 21.941 9.361 1.00 7.52 N ATOM 454 CA ILE A 336 4.400 22.012 9.858 1.00 7.47 C ATOM 455 C ILE A 336 3.806 23.346 9.456 1.00 7.05 C ATOM 456 O ILE A 336 4.201 24.403 9.967 1.00 9.10 O ATOM 457 CB ILE A 336 4.296 21.835 11.381 1.00 6.43 C ATOM 458 CG1 ILE A 336 5.038 20.571 11.820 1.00 7.98 C ATOM 459 CG2 ILE A 336 2.828 21.756 11.787 1.00 7.64 C ATOM 460 CD1 ILE A 336 5.065 20.353 13.322 1.00 7.84 C ATOM 461 H ILE A 336 6.550 22.281 9.957 1.00 0.00 H ATOM 462 N LEU A 337 2.872 23.293 8.517 1.00 7.59 N ATOM 463 CA LEU A 337 2.254 24.490 7.981 1.00 7.92 C ATOM 464 C LEU A 337 1.088 24.950 8.843 1.00 7.29 C ATOM 465 O LEU A 337 0.845 26.147 8.957 1.00 8.95 O ATOM 466 CB LEU A 337 1.786 24.243 6.543 1.00 9.30 C ATOM 467 CG LEU A 337 2.850 23.727 5.572 1.00 9.27 C ATOM 468 CD1 LEU A 337 2.244 23.485 4.198 1.00 12.87 C ATOM 469 CD2 LEU A 337 4.011 24.702 5.472 1.00 13.54 C ATOM 470 H LEU A 337 2.574 22.365 8.154 1.00 0.00 H ATOM 471 N ALA A 338 0.365 24.007 9.444 1.00 7.11 N ATOM 472 CA ALA A 338 -0.774 24.350 10.281 1.00 7.19 C ATOM 473 C ALA A 338 -1.123 23.173 11.184 1.00 6.03 C ATOM 474 O ALA A 338 -0.811 22.022 10.867 1.00 6.81 O ATOM 475 CB ALA A 338 -1.978 24.712 9.424 1.00 9.58 C ATOM 476 H ALA A 338 0.619 23.007 9.313 1.00 0.00 H ATOM 477 N VAL A 339 -1.781 23.453 12.304 1.00 7.10 N ATOM 478 CA VAL A 339 -2.306 22.395 13.159 1.00 7.42 C ATOM 479 C VAL A 339 -3.714 22.772 13.593 1.00 6.92 C ATOM 480 O VAL A 339 -3.942 23.891 14.066 1.00 8.47 O ATOM 481 CB VAL A 339 -1.385 22.120 14.389 1.00 6.57 C ATOM 482 CG1 VAL A 339 -1.316 23.314 15.325 1.00 7.98 C ATOM 483 CG2 VAL A 339 -1.846 20.868 15.135 1.00 7.58 C ATOM 484 H VAL A 339 -1.924 24.446 12.576 1.00 0.00 H ATOM 485 N ASN A 340 -4.669 21.868 13.403 1.00 7.52 N ATOM 486 CA ASN A 340 -6.073 22.166 13.691 1.00 9.21 C ATOM 487 C ASN A 340 -6.518 23.527 13.147 1.00 10.07 C ATOM 488 O ASN A 340 -7.236 24.280 13.815 1.00 12.60 O ATOM 489 CB ASN A 340 -6.378 22.042 15.186 1.00 10.15 C ATOM 490 CG ASN A 340 -6.447 20.595 15.647 1.00 8.43 C ATOM 491 OD1 ASN A 340 -6.740 19.689 14.861 1.00 8.74 O ATOM 492 ND2 ASN A 340 -6.174 20.369 16.921 1.00 9.82 N ATOM 493 HD22 ASN A 340 -5.932 21.161 17.549 1.00 0.00 H ATOM 494 HD21 ASN A 340 -6.202 19.399 17.295 1.00 0.00 H ATOM 495 H ASN A 340 -4.413 20.927 13.041 1.00 0.00 H ATOM 496 N GLY A 341 -6.075 23.835 11.933 1.00 11.37 N ATOM 497 CA GLY A 341 -6.452 25.069 11.271 1.00 12.14 C ATOM 498 C GLY A 341 -5.679 26.313 11.680 1.00 11.91 C ATOM 499 O GLY A 341 -5.923 27.389 11.129 1.00 15.81 O ATOM 500 H GLY A 341 -5.440 23.173 11.444 1.00 0.00 H ATOM 501 N VAL A 342 -4.763 26.193 12.640 1.00 10.37 N ATOM 502 CA VAL A 342 -3.937 27.322 13.064 1.00 9.36 C ATOM 503 C VAL A 342 -2.675 27.370 12.216 1.00 9.59 C ATOM 504 O VAL A 342 -1.866 26.436 12.258 1.00 9.76 O ATOM 505 CB VAL A 342 -3.536 27.195 14.546 1.00 11.16 C ATOM 506 CG1 VAL A 342 -2.761 28.413 14.994 1.00 11.56 C ATOM 507 CG2 VAL A 342 -4.762 27.009 15.425 1.00 12.40 C ATOM 508 H VAL A 342 -4.632 25.270 13.101 1.00 0.00 H ATOM 509 N ASN A 343 -2.508 28.452 11.459 1.00 10.11 N ATOM 510 CA ASN A 343 -1.359 28.601 10.583 1.00 10.66 C ATOM 511 C ASN A 343 -0.090 28.716 11.418 1.00 11.32 C ATOM 512 O ASN A 343 -0.033 29.502 12.371 1.00 14.51 O ATOM 513 CB ASN A 343 -1.550 29.846 9.711 1.00 12.74 C ATOM 514 CG ASN A 343 -0.417 30.074 8.738 1.00 13.56 C ATOM 515 OD1 ASN A 343 -0.201 31.201 8.292 1.00 21.37 O ATOM 516 ND2 ASN A 343 0.302 29.024 8.393 1.00 13.19 N ATOM 517 HD22 ASN A 343 0.084 28.090 8.795 1.00 0.00 H ATOM 518 HD21 ASN A 343 1.087 29.130 7.719 1.00 0.00 H ATOM 519 H ASN A 343 -3.219 29.210 11.496 1.00 0.00 H ATOM 520 N LEU A 344 0.926 27.940 11.059 1.00 9.80 N ATOM 521 CA LEU A 344 2.203 27.996 11.749 1.00 9.41 C ATOM 522 C LEU A 344 3.323 28.496 10.842 1.00 10.39 C ATOM 523 O LEU A 344 4.487 28.470 11.219 1.00 12.37 O ATOM 524 CB LEU A 344 2.575 26.620 12.306 1.00 9.50 C ATOM 525 CG LEU A 344 1.696 26.069 13.435 1.00 8.84 C ATOM 526 CD1 LEU A 344 2.139 24.665 13.827 1.00 10.91 C ATOM 527 CD2 LEU A 344 1.688 26.985 14.650 1.00 11.99 C ATOM 528 H LEU A 344 0.805 27.278 10.266 1.00 0.00 H ATOM 529 N ARG A 345 2.973 28.953 9.645 1.00 11.18 N ATOM 530 CA ARG A 345 3.989 29.352 8.674 1.00 11.27 C ATOM 531 C ARG A 345 4.705 30.650 9.044 1.00 11.80 C ATOM 532 O ARG A 345 5.783 30.940 8.526 1.00 15.14 O ATOM 533 CB ARG A 345 3.382 29.462 7.276 1.00 12.07 C ATOM 534 CG ARG A 345 2.803 28.158 6.756 1.00 12.81 C ATOM 535 CD ARG A 345 2.340 28.291 5.315 1.00 19.03 C ATOM 536 NE ARG A 345 3.463 28.482 4.402 1.00 22.69 N ATOM 537 CZ ARG A 345 3.357 28.488 3.078 1.00 34.30 C ATOM 538 NH1 ARG A 345 4.434 28.667 2.326 1.00 38.76 N ATOM 539 NH2 ARG A 345 2.175 28.312 2.504 1.00 35.86 N ATOM 540 HE ARG A 345 4.407 28.622 4.815 1.00 0.00 H ATOM 541 HH12 ARG A 345 4.350 28.671 1.289 1.00 0.00 H ATOM 542 HH11 ARG A 345 5.363 28.803 2.773 1.00 0.00 H ATOM 543 HH22 ARG A 345 2.095 28.317 1.467 1.00 0.00 H ATOM 544 HH21 ARG A 345 1.328 28.169 3.091 1.00 0.00 H ATOM 545 H ARG A 345 1.966 29.028 9.397 1.00 0.00 H ATOM 546 N ASP A 346 4.109 31.427 9.942 1.00 11.71 N ATOM 547 CA ASP A 346 4.683 32.711 10.323 1.00 11.88 C ATOM 548 C ASP A 346 4.903 32.803 11.830 1.00 10.74 C ATOM 549 O ASP A 346 5.066 33.892 12.376 1.00 13.44 O ATOM 550 CB ASP A 346 3.780 33.854 9.853 1.00 17.40 C ATOM 551 CG ASP A 346 4.526 35.166 9.702 1.00 24.65 C ATOM 552 OD1 ASP A 346 5.705 35.137 9.292 1.00 28.74 O ATOM 553 OD2 ASP A 346 3.933 36.227 9.990 1.00 28.61 O ATOM 554 H ASP A 346 3.219 31.114 10.380 1.00 0.00 H ATOM 555 N THR A 347 4.912 31.658 12.501 1.00 10.44 N ATOM 556 CA THR A 347 5.060 31.641 13.944 1.00 8.89 C ATOM 557 C THR A 347 6.509 31.537 14.394 1.00 6.78 C ATOM 558 O THR A 347 7.327 30.828 13.779 1.00 7.59 O ATOM 559 CB THR A 347 4.254 30.491 14.594 1.00 13.28 C ATOM 560 OG1 THR A 347 4.744 29.223 14.137 1.00 12.76 O ATOM 561 CG2 THR A 347 2.772 30.625 14.262 1.00 20.20 C ATOM 562 HG1 THR A 347 4.650 29.169 13.153 1.00 0.00 H ATOM 563 H THR A 347 4.812 30.761 11.985 1.00 0.00 H ATOM 564 N LYS A 348 6.829 32.240 15.473 1.00 7.48 N ATOM 565 CA LYS A 348 8.120 32.084 16.121 1.00 6.95 C ATOM 566 C LYS A 348 8.169 30.747 16.853 1.00 6.07 C ATOM 567 O LYS A 348 7.135 30.153 17.165 1.00 6.06 O ATOM 568 CB LYS A 348 8.375 33.245 17.080 1.00 7.97 C ATOM 569 CG LYS A 348 8.555 34.580 16.371 1.00 8.40 C ATOM 570 CD LYS A 348 8.424 35.756 17.329 1.00 13.15 C ATOM 571 CE LYS A 348 9.457 35.685 18.437 1.00 16.37 C ATOM 572 NZ LYS A 348 9.443 36.912 19.279 1.00 21.28 N ATOM 573 HZ1 LYS A 348 9.653 37.740 18.686 1.00 0.00 H ATOM 574 HZ2 LYS A 348 8.504 37.023 19.712 1.00 0.00 H ATOM 575 HZ3 LYS A 348 10.162 36.827 20.025 1.00 0.00 H ATOM 576 H LYS A 348 6.142 32.916 15.863 1.00 0.00 H ATOM 577 N HIS A 349 9.381 30.277 17.125 1.00 5.98 N ATOM 578 CA HIS A 349 9.580 28.965 17.717 1.00 6.41 C ATOM 579 C HIS A 349 8.697 28.711 18.941 1.00 5.13 C ATOM 580 O HIS A 349 7.975 27.717 19.001 1.00 5.50 O ATOM 581 CB HIS A 349 11.053 28.773 18.083 1.00 6.83 C ATOM 582 CG HIS A 349 11.362 27.393 18.568 1.00 6.59 C ATOM 583 ND1 HIS A 349 11.673 26.367 17.711 1.00 6.65 N ATOM 584 CD2 HIS A 349 11.358 26.856 19.815 1.00 6.47 C ATOM 585 CE1 HIS A 349 11.871 25.256 18.409 1.00 6.70 C ATOM 586 NE2 HIS A 349 11.680 25.526 19.687 1.00 6.80 N ATOM 587 H HIS A 349 10.211 30.865 16.908 1.00 0.00 H ATOM 588 N LYS A 350 8.772 29.600 19.926 1.00 5.39 N ATOM 589 CA LYS A 350 8.032 29.384 21.168 1.00 5.41 C ATOM 590 C LYS A 350 6.531 29.554 20.997 1.00 5.66 C ATOM 591 O LYS A 350 5.750 28.916 21.706 1.00 6.26 O ATOM 592 CB LYS A 350 8.575 30.259 22.299 1.00 6.64 C ATOM 593 CG LYS A 350 9.989 29.886 22.712 1.00 6.75 C ATOM 594 CD LYS A 350 10.482 30.705 23.901 1.00 8.78 C ATOM 595 CE LYS A 350 9.836 30.263 25.204 1.00 8.52 C ATOM 596 NZ LYS A 350 10.260 31.092 26.373 1.00 9.45 N ATOM 597 HZ1 LYS A 350 11.291 31.022 26.490 1.00 0.00 H ATOM 598 HZ2 LYS A 350 9.995 32.084 26.207 1.00 0.00 H ATOM 599 HZ3 LYS A 350 9.788 30.745 27.232 1.00 0.00 H ATOM 600 H LYS A 350 9.359 30.451 19.813 1.00 0.00 H ATOM 601 N GLU A 351 6.111 30.394 20.060 1.00 6.01 N ATOM 602 CA GLU A 351 4.692 30.486 19.740 1.00 6.25 C ATOM 603 C GLU A 351 4.198 29.127 19.255 1.00 5.27 C ATOM 604 O GLU A 351 3.151 28.636 19.685 1.00 5.69 O ATOM 605 CB GLU A 351 4.445 31.547 18.668 1.00 6.20 C ATOM 606 CG GLU A 351 4.837 32.941 19.118 1.00 7.03 C ATOM 607 CD GLU A 351 4.756 33.970 18.021 1.00 7.20 C ATOM 608 OE1 GLU A 351 4.678 33.591 16.830 1.00 8.51 O ATOM 609 OE2 GLU A 351 4.773 35.172 18.352 1.00 9.38 O ATOM 610 H GLU A 351 6.796 30.989 19.552 1.00 0.00 H ATOM 611 N ALA A 352 4.964 28.507 18.363 1.00 5.80 N ATOM 612 CA ALA A 352 4.599 27.195 17.836 1.00 6.32 C ATOM 613 C ALA A 352 4.547 26.134 18.936 1.00 5.02 C ATOM 614 O ALA A 352 3.655 25.287 18.935 1.00 4.82 O ATOM 615 CB ALA A 352 5.566 26.772 16.737 1.00 6.90 C ATOM 616 H ALA A 352 5.838 28.964 18.035 1.00 0.00 H ATOM 617 N VAL A 353 5.501 26.161 19.865 1.00 5.69 N ATOM 618 CA VAL A 353 5.473 25.206 20.963 1.00 5.04 C ATOM 619 C VAL A 353 4.174 25.353 21.746 1.00 4.66 C ATOM 620 O VAL A 353 3.499 24.360 22.020 1.00 5.35 O ATOM 621 CB VAL A 353 6.682 25.374 21.904 1.00 5.51 C ATOM 622 CG1 VAL A 353 6.509 24.540 23.162 1.00 7.05 C ATOM 623 CG2 VAL A 353 7.973 25.010 21.186 1.00 6.63 C ATOM 624 H VAL A 353 6.265 26.864 19.806 1.00 0.00 H ATOM 625 N THR A 354 3.811 26.578 22.104 1.00 5.38 N ATOM 626 CA THR A 354 2.571 26.776 22.846 1.00 5.36 C ATOM 627 C THR A 354 1.361 26.265 22.074 1.00 5.18 C ATOM 628 O THR A 354 0.518 25.538 22.620 1.00 5.60 O ATOM 629 CB THR A 354 2.393 28.269 23.211 1.00 6.13 C ATOM 630 OG1 THR A 354 3.380 28.623 24.189 1.00 8.14 O ATOM 631 CG2 THR A 354 0.997 28.566 23.750 1.00 7.22 C ATOM 632 HG1 THR A 354 3.260 28.062 24.996 1.00 0.00 H ATOM 633 H THR A 354 4.408 27.393 21.857 1.00 0.00 H ATOM 634 N ILE A 355 1.267 26.640 20.804 1.00 4.80 N ATOM 635 CA ILE A 355 0.124 26.228 20.008 1.00 5.59 C ATOM 636 C ILE A 355 0.065 24.698 19.875 1.00 5.48 C ATOM 637 O ILE A 355 -0.975 24.072 20.079 1.00 5.99 O ATOM 638 CB ILE A 355 0.165 26.884 18.625 1.00 5.48 C ATOM 639 CG1 ILE A 355 -0.011 28.403 18.755 1.00 6.65 C ATOM 640 CG2 ILE A 355 -0.884 26.285 17.709 1.00 6.89 C ATOM 641 CD1 ILE A 355 0.420 29.169 17.522 1.00 7.66 C ATOM 642 H ILE A 355 2.012 27.229 20.379 1.00 0.00 H ATOM 643 N LEU A 356 1.191 24.089 19.533 1.00 4.66 N ATOM 644 CA LEU A 356 1.225 22.646 19.313 1.00 5.11 C ATOM 645 C LEU A 356 0.890 21.874 20.589 1.00 4.59 C ATOM 646 O LEU A 356 0.124 20.908 20.552 1.00 4.69 O ATOM 647 CB LEU A 356 2.580 22.218 18.744 1.00 5.21 C ATOM 648 CG LEU A 356 2.739 22.557 17.259 1.00 4.91 C ATOM 649 CD1 LEU A 356 4.191 22.670 16.868 1.00 6.43 C ATOM 650 CD2 LEU A 356 2.021 21.534 16.391 1.00 6.51 C ATOM 651 H LEU A 356 2.062 24.646 19.420 1.00 0.00 H ATOM 652 N SER A 357 1.465 22.298 21.712 1.00 4.90 N ATOM 653 CA SER A 357 1.268 21.580 22.969 1.00 4.95 C ATOM 654 C SER A 357 -0.143 21.726 23.532 1.00 5.74 C ATOM 655 O SER A 357 -0.538 20.929 24.380 1.00 7.72 O ATOM 656 CB SER A 357 2.301 22.008 24.016 1.00 5.61 C ATOM 657 OG SER A 357 3.616 21.628 23.651 1.00 5.58 O ATOM 658 HG SER A 357 3.660 20.643 23.557 1.00 0.00 H ATOM 659 H SER A 357 2.061 23.150 21.694 1.00 0.00 H ATOM 660 N GLN A 358 -0.902 22.714 23.070 1.00 5.46 N ATOM 661 CA GLN A 358 -2.264 22.892 23.562 1.00 7.06 C ATOM 662 C GLN A 358 -3.275 22.000 22.840 1.00 6.72 C ATOM 663 O GLN A 358 -4.431 21.918 23.252 1.00 5.15 O ATOM 664 CB GLN A 358 -2.706 24.357 23.462 1.00 11.44 C ATOM 665 CG GLN A 358 -3.006 24.813 22.046 1.00 15.04 C ATOM 666 CD GLN A 358 -3.889 26.049 21.990 1.00 19.61 C ATOM 667 OE1 GLN A 358 -4.704 26.202 21.078 1.00 24.00 O ATOM 668 NE2 GLN A 358 -3.730 26.939 22.964 1.00 14.22 N ATOM 669 HE22 GLN A 358 -3.030 26.769 23.714 1.00 0.00 H ATOM 670 HE21 GLN A 358 -4.306 27.805 22.976 1.00 0.00 H ATOM 671 H GLN A 358 -0.523 23.365 22.353 1.00 0.00 H ATOM 672 N GLN A 359 -2.856 21.335 21.766 1.00 4.85 N ATOM 673 CA GLN A 359 -3.796 20.504 21.024 1.00 5.42 C ATOM 674 C GLN A 359 -3.997 19.164 21.719 1.00 5.22 C ATOM 675 O GLN A 359 -3.047 18.583 22.253 1.00 6.31 O ATOM 676 CB GLN A 359 -3.354 20.322 19.576 1.00 6.04 C ATOM 677 CG GLN A 359 -2.987 21.633 18.873 1.00 6.54 C ATOM 678 CD GLN A 359 -4.086 22.685 18.942 1.00 6.83 C ATOM 679 OE1 GLN A 359 -5.257 22.399 18.675 1.00 8.52 O ATOM 680 NE2 GLN A 359 -3.713 23.912 19.286 1.00 7.54 N ATOM 681 HE22 GLN A 359 -2.716 24.111 19.503 1.00 0.00 H ATOM 682 HE21 GLN A 359 -4.418 24.674 19.338 1.00 0.00 H ATOM 683 H GLN A 359 -1.865 21.408 21.458 1.00 0.00 H ATOM 684 N ARG A 360 -5.237 18.678 21.727 1.00 6.04 N ATOM 685 CA ARG A 360 -5.578 17.427 22.402 1.00 6.31 C ATOM 686 C ARG A 360 -6.358 16.486 21.499 1.00 5.48 C ATOM 687 O ARG A 360 -7.106 16.926 20.627 1.00 7.15 O ATOM 688 CB ARG A 360 -6.437 17.703 23.640 1.00 8.70 C ATOM 689 CG ARG A 360 -5.751 18.502 24.732 1.00 11.31 C ATOM 690 CD ARG A 360 -6.756 18.919 25.806 1.00 16.11 C ATOM 691 NE ARG A 360 -7.380 17.758 26.435 1.00 17.34 N ATOM 692 CZ ARG A 360 -8.571 17.767 27.026 1.00 29.70 C ATOM 693 NH1 ARG A 360 -9.289 18.882 27.068 1.00 34.91 N ATOM 694 NH2 ARG A 360 -9.050 16.655 27.569 1.00 29.07 N ATOM 695 HE ARG A 360 -6.855 16.860 26.420 1.00 0.00 H ATOM 696 HH12 ARG A 360 -10.220 18.884 27.531 1.00 0.00 H ATOM 697 HH11 ARG A 360 -8.921 19.754 26.637 1.00 0.00 H ATOM 698 HH22 ARG A 360 -9.982 16.662 28.031 1.00 0.00 H ATOM 699 HH21 ARG A 360 -8.494 15.777 27.532 1.00 0.00 H ATOM 700 H ARG A 360 -5.987 19.206 21.237 1.00 0.00 H ATOM 701 N GLY A 361 -6.205 15.189 21.741 1.00 6.24 N ATOM 702 CA GLY A 361 -7.067 14.192 21.132 1.00 6.67 C ATOM 703 C GLY A 361 -6.772 13.915 19.671 1.00 6.27 C ATOM 704 O GLY A 361 -5.691 13.443 19.319 1.00 7.55 O ATOM 705 H GLY A 361 -5.448 14.880 22.383 1.00 0.00 H ATOM 706 N GLU A 362 -7.754 14.196 18.821 1.00 6.00 N ATOM 707 CA GLU A 362 -7.619 13.989 17.383 1.00 6.31 C ATOM 708 C GLU A 362 -7.147 15.287 16.773 1.00 6.14 C ATOM 709 O GLU A 362 -7.892 16.269 16.763 1.00 10.04 O ATOM 710 CB GLU A 362 -8.962 13.592 16.785 1.00 7.20 C ATOM 711 CG GLU A 362 -9.493 12.291 17.340 1.00 8.10 C ATOM 712 CD GLU A 362 -10.809 11.883 16.724 1.00 8.17 C ATOM 713 OE1 GLU A 362 -11.535 12.755 16.192 1.00 11.32 O ATOM 714 OE2 GLU A 362 -11.127 10.680 16.761 1.00 9.60 O ATOM 715 H GLU A 362 -8.648 14.576 19.193 1.00 0.00 H ATOM 716 N ILE A 363 -5.918 15.301 16.280 1.00 5.94 N ATOM 717 CA ILE A 363 -5.248 16.527 15.890 1.00 6.39 C ATOM 718 C ILE A 363 -4.879 16.458 14.410 1.00 5.87 C ATOM 719 O ILE A 363 -4.206 15.516 13.963 1.00 6.76 O ATOM 720 CB ILE A 363 -3.979 16.708 16.729 1.00 5.75 C ATOM 721 CG1 ILE A 363 -4.322 16.723 18.226 1.00 7.02 C ATOM 722 CG2 ILE A 363 -3.261 17.977 16.338 1.00 6.95 C ATOM 723 CD1 ILE A 363 -3.114 16.614 19.155 1.00 8.41 C ATOM 724 H ILE A 363 -5.414 14.398 16.168 1.00 0.00 H ATOM 725 N GLU A 364 -5.322 17.442 13.636 1.00 6.40 N ATOM 726 CA GLU A 364 -5.034 17.454 12.209 1.00 7.41 C ATOM 727 C GLU A 364 -3.853 18.352 11.891 1.00 6.15 C ATOM 728 O GLU A 364 -3.831 19.527 12.267 1.00 10.56 O ATOM 729 CB GLU A 364 -6.249 17.935 11.422 1.00 10.80 C ATOM 730 CG GLU A 364 -5.982 18.093 9.933 1.00 22.56 C ATOM 731 CD GLU A 364 -7.175 18.651 9.180 1.00 33.06 C ATOM 732 OE1 GLU A 364 -8.317 18.250 9.489 1.00 36.56 O ATOM 733 OE2 GLU A 364 -6.970 19.496 8.283 1.00 39.01 O ATOM 734 H GLU A 364 -5.881 18.213 14.054 1.00 0.00 H ATOM 735 N PHE A 365 -2.877 17.801 11.188 1.00 7.21 N ATOM 736 CA PHE A 365 -1.698 18.534 10.762 1.00 7.36 C ATOM 737 C PHE A 365 -1.752 18.798 9.269 1.00 6.99 C ATOM 738 O PHE A 365 -2.218 17.958 8.497 1.00 8.69 O ATOM 739 CB PHE A 365 -0.445 17.716 11.066 1.00 9.02 C ATOM 740 CG PHE A 365 -0.067 17.701 12.516 1.00 6.61 C ATOM 741 CD1 PHE A 365 -0.682 16.837 13.411 1.00 7.38 C ATOM 742 CD2 PHE A 365 0.923 18.545 12.990 1.00 10.05 C ATOM 743 CE1 PHE A 365 -0.325 16.829 14.750 1.00 8.03 C ATOM 744 CE2 PHE A 365 1.284 18.535 14.327 1.00 10.84 C ATOM 745 CZ PHE A 365 0.657 17.681 15.206 1.00 8.16 C ATOM 746 H PHE A 365 -2.958 16.797 10.929 1.00 0.00 H ATOM 747 N GLU A 366 -1.264 19.962 8.860 1.00 7.17 N ATOM 748 CA GLU A 366 -0.986 20.227 7.458 1.00 7.44 C ATOM 749 C GLU A 366 0.527 20.354 7.335 1.00 6.48 C ATOM 750 O GLU A 366 1.131 21.192 8.003 1.00 7.47 O ATOM 751 CB GLU A 366 -1.672 21.518 7.029 1.00 9.19 C ATOM 752 CG GLU A 366 -1.532 21.839 5.558 1.00 13.73 C ATOM 753 CD GLU A 366 -2.382 23.024 5.130 1.00 25.03 C ATOM 754 OE1 GLU A 366 -3.161 23.539 5.960 1.00 25.27 O ATOM 755 OE2 GLU A 366 -2.272 23.443 3.959 1.00 31.58 O ATOM 756 H GLU A 366 -1.075 20.706 9.562 1.00 0.00 H ATOM 757 N VAL A 367 1.141 19.497 6.526 1.00 6.72 N ATOM 758 CA VAL A 367 2.589 19.404 6.470 1.00 6.69 C ATOM 759 C VAL A 367 3.082 19.295 5.033 1.00 6.88 C ATOM 760 O VAL A 367 2.320 18.953 4.124 1.00 8.54 O ATOM 761 CB VAL A 367 3.111 18.189 7.286 1.00 6.64 C ATOM 762 CG1 VAL A 367 2.811 18.369 8.764 1.00 7.04 C ATOM 763 CG2 VAL A 367 2.506 16.881 6.768 1.00 9.34 C ATOM 764 H VAL A 367 0.570 18.877 5.917 1.00 0.00 H ATOM 765 N VAL A 368 4.363 19.573 4.835 1.00 7.17 N ATOM 766 CA VAL A 368 4.969 19.399 3.529 1.00 7.26 C ATOM 767 C VAL A 368 6.438 19.053 3.684 1.00 7.21 C ATOM 768 O VAL A 368 7.129 19.621 4.521 1.00 8.39 O ATOM 769 CB VAL A 368 4.799 20.654 2.643 1.00 7.98 C ATOM 770 CG1 VAL A 368 5.558 21.846 3.231 1.00 8.68 C ATOM 771 CG2 VAL A 368 5.248 20.362 1.216 1.00 9.18 C ATOM 772 H VAL A 368 4.941 19.920 5.627 1.00 0.00 H ATOM 773 N TYR A 369 6.901 18.087 2.900 1.00 8.58 N ATOM 774 CA TYR A 369 8.310 17.737 2.865 1.00 10.39 C ATOM 775 C TYR A 369 8.971 18.445 1.700 1.00 12.22 C ATOM 776 O TYR A 369 8.593 18.234 0.548 1.00 12.95 O ATOM 777 CB TYR A 369 8.488 16.232 2.696 1.00 11.38 C ATOM 778 CG TYR A 369 9.928 15.793 2.796 1.00 11.25 C ATOM 779 CD1 TYR A 369 10.743 15.745 1.670 1.00 15.17 C ATOM 780 CD2 TYR A 369 10.474 15.429 4.020 1.00 12.13 C ATOM 781 CE1 TYR A 369 12.062 15.351 1.761 1.00 17.69 C ATOM 782 CE2 TYR A 369 11.791 15.034 4.122 1.00 15.48 C ATOM 783 CZ TYR A 369 12.580 14.993 2.988 1.00 18.09 C ATOM 784 OH TYR A 369 13.895 14.598 3.081 1.00 24.58 O ATOM 785 HH TYR A 369 14.311 14.626 2.183 1.00 0.00 H ATOM 786 H TYR A 369 6.236 17.566 2.294 1.00 0.00 H ATOM 787 N VAL A 370 9.956 19.286 2.001 1.00 13.83 N ATOM 788 CA VAL A 370 10.710 19.985 0.966 1.00 18.24 C ATOM 789 C VAL A 370 12.125 19.430 0.872 1.00 22.36 C ATOM 790 O VAL A 370 12.755 19.122 1.884 1.00 22.93 O ATOM 791 CB VAL A 370 10.773 21.502 1.233 1.00 17.53 C ATOM 792 CG1 VAL A 370 11.628 22.192 0.181 1.00 23.80 C ATOM 793 CG2 VAL A 370 9.374 22.096 1.261 1.00 18.92 C ATOM 794 OXT VAL A 370 12.670 19.276 -0.220 1.00 29.66 O ATOM 795 H VAL A 370 10.195 19.450 3.000 1.00 0.00 H TER 796 VAL A 370 HETATM 797 O HOH 1 6.298 10.014 17.884 1.00 5.25 O HETATM 798 O HOH 2 -0.278 18.411 21.814 1.00 6.01 O HETATM 799 O HOH 3 4.692 9.096 11.371 1.00 7.07 O HETATM 800 O HOH 4 0.763 24.825 25.332 1.00 7.22 O HETATM 801 O HOH 5 -1.339 8.858 16.495 1.00 8.37 O HETATM 802 O HOH 6 4.631 11.268 24.907 1.00 7.95 O HETATM 803 O HOH 7 -4.667 14.259 24.063 1.00 9.68 O HETATM 804 O HOH 8 6.207 28.672 24.428 1.00 8.63 O HETATM 805 O HOH 9 10.507 31.893 19.916 1.00 9.25 O HETATM 806 O HOH 10 5.166 16.554 1.241 1.00 9.23 O HETATM 807 O HOH 11 -10.426 8.912 18.640 1.00 9.33 O HETATM 808 O HOH 12 6.037 26.549 9.724 1.00 11.37 O HETATM 809 O HOH 13 7.096 29.499 11.358 1.00 11.10 O HETATM 810 O HOH 14 -7.564 6.718 21.003 1.00 10.44 O HETATM 811 O HOH 15 3.201 27.433 26.512 1.00 11.36 O HETATM 812 O HOH 16 3.282 24.780 26.525 1.00 12.54 O HETATM 813 O HOH 17 -13.683 9.857 16.816 1.00 13.30 O HETATM 814 O HOH 18 13.725 10.902 14.361 1.00 12.57 O HETATM 815 O HOH 19 -2.463 6.882 19.485 1.00 12.17 O HETATM 816 O HOH 20 5.976 6.611 11.399 1.00 13.98 O HETATM 817 O HOH 21 11.028 10.292 10.086 1.00 13.74 O HETATM 818 O HOH 22 8.478 14.071 22.251 1.00 12.76 O HETATM 819 O HOH 23 -7.701 18.384 18.359 1.00 13.52 O HETATM 820 O HOH 24 -7.478 20.419 21.059 1.00 15.35 O HETATM 821 O HOH 25 1.736 15.636 -6.020 1.00 15.78 O HETATM 822 O HOH 26 8.919 30.566 9.672 1.00 14.34 O HETATM 823 O HOH 27 7.538 13.285 4.586 1.00 13.40 O HETATM 824 O HOH 28 1.851 5.746 27.063 1.00 16.89 O HETATM 825 O HOH 29 11.428 7.691 14.044 1.00 14.00 O HETATM 826 O HOH 30 10.122 7.731 22.245 1.00 15.17 O HETATM 827 O HOH 31 -4.201 5.730 21.064 1.00 13.12 O HETATM 828 O HOH 32 0.042 22.809 26.949 1.00 15.67 O HETATM 829 O HOH 33 9.922 20.511 4.575 1.00 14.31 O HETATM 830 O HOH 34 -4.620 21.993 10.132 1.00 17.41 O HETATM 831 O HOH 35 -3.508 15.048 2.265 1.00 19.41 O HETATM 832 O HOH 36 1.618 11.887 4.974 1.00 15.93 O HETATM 833 O HOH 37 11.861 11.856 6.181 1.00 15.98 O HETATM 834 O HOH 38 -10.231 15.454 19.684 1.00 18.68 O HETATM 835 O HOH 39 5.073 5.627 8.759 1.00 18.66 O HETATM 836 O HOH 40 -2.359 22.800 27.927 1.00 23.27 O HETATM 837 O HOH 41 3.562 9.078 5.116 1.00 17.79 O HETATM 838 O HOH 42 5.716 14.030 0.202 1.00 18.82 O HETATM 839 O HOH 43 -2.476 19.374 25.102 1.00 18.99 O HETATM 840 O HOH 44 -13.959 12.205 15.200 1.00 20.08 O HETATM 841 O HOH 45 5.905 12.396 2.580 1.00 19.75 O HETATM 842 O HOH 46 1.539 31.777 11.201 1.00 17.81 O HETATM 843 O HOH 47 12.166 34.287 23.811 1.00 26.33 O HETATM 844 O HOH 48 10.506 23.284 4.562 1.00 20.53 O HETATM 845 O HOH 49 -8.386 14.235 24.434 1.00 26.70 O HETATM 846 O HOH 50 14.527 18.768 10.056 1.00 29.78 O HETATM 847 O HOH 51 13.985 9.981 16.921 1.00 22.12 O HETATM 848 O HOH 52 12.862 19.121 4.551 1.00 26.87 O HETATM 849 O HOH 53 -0.713 27.110 6.441 1.00 19.91 O HETATM 850 O HOH 54 17.005 15.792 12.170 1.00 24.68 O HETATM 851 O HOH 55 -1.310 18.883 -2.255 1.00 23.12 O HETATM 852 O HOH 56 7.923 14.462 -1.806 1.00 31.90 O HETATM 853 O HOH 57 3.819 12.337 -3.626 1.00 28.41 O HETATM 854 O HOH 58 17.149 11.495 19.427 1.00 39.11 O HETATM 855 O HOH 59 7.535 29.430 7.001 1.00 34.81 O HETATM 856 O HOH 60 -11.511 14.738 14.360 1.00 29.48 O HETATM 857 O HOH 61 9.834 11.692 4.397 1.00 21.48 O HETATM 858 O HOH 62 9.675 30.601 6.536 1.00 39.40 O HETATM 859 O HOH 63 3.901 12.481 -0.889 1.00 28.19 O HETATM 860 O HOH 64 1.634 13.327 -4.748 1.00 26.87 O HETATM 861 O HOH 65 12.513 8.695 22.445 1.00 30.50 O HETATM 862 O HOH 66 3.357 10.838 3.154 1.00 32.30 O HETATM 863 O HOH 67 14.876 8.080 21.247 1.00 26.75 O HETATM 864 O HOH 68 -9.230 19.244 13.613 1.00 35.63 O HETATM 865 O HOH 69 4.955 3.351 16.438 1.00 37.77 O HETATM 866 O HOH 70 12.745 9.333 12.204 1.00 13.72 O HETATM 867 O HOH 71 9.175 7.084 12.330 1.00 21.28 O HETATM 868 O HOH 72 18.002 23.211 13.499 1.00 25.96 O HETATM 869 O HOH 73 -8.741 13.853 9.526 1.00 27.42 O HETATM 870 O HOH 74 -5.182 29.252 22.464 1.00 24.14 O HETATM 871 O HOH 75 0.207 18.604 -4.833 1.00 28.96 O HETATM 872 O HOH 76 10.620 37.326 14.095 1.00 32.63 O HETATM 873 O HOH 77 -1.330 31.630 14.108 1.00 30.13 O HETATM 874 O HOH 78 -10.837 14.712 11.779 1.00 37.40 O HETATM 875 O HOH 79 6.567 26.888 4.428 1.00 36.31 O HETATM 876 O HOH 80 -8.498 25.044 16.278 1.00 34.09 O HETATM 877 O HOH 81 -12.438 14.558 18.177 1.00 39.84 O HETATM 878 O HOH 82 -5.213 13.441 2.563 1.00 39.00 O HETATM 879 O HOH 83 11.021 34.215 21.323 1.00 34.42 O HETATM 880 O HOH 84 9.231 25.188 3.114 1.00 37.30 O HETATM 881 O HOH 85 -9.027 21.292 25.794 1.00 41.74 O HETATM 882 O HOH 86 -10.422 11.823 9.184 1.00 18.09 O HETATM 883 O HOH 87 7.071 3.497 12.599 1.00 21.71 O HETATM 884 O HOH 88 -4.243 30.719 11.573 1.00 18.33 O HETATM 885 O HOH 89 6.241 35.835 14.237 1.00 19.88 O HETATM 886 O HOH 90 8.016 37.769 13.588 1.00 24.77 O HETATM 887 O HOH 91 11.983 9.689 7.526 1.00 34.28 O HETATM 888 O HOH 92 -5.260 22.372 25.924 1.00 28.06 O HETATM 889 O HOH 93 -1.065 15.374 -0.741 1.00 28.31 O HETATM 890 O HOH 94 8.577 27.825 2.948 1.00 40.54 O HETATM 891 O HOH 95 -7.465 23.887 18.441 1.00 29.67 O HETATM 892 O HOH 96 17.190 17.082 17.361 1.00 35.70 O HETATM 893 O HOH 97 -1.064 14.803 -3.403 1.00 36.27 O HETATM 894 O HOH 98 -4.057 31.027 21.349 1.00 34.41 O HETATM 895 O HOH 99 -9.322 22.281 17.391 1.00 38.80 O HETATM 896 O HOH 100 0.817 12.955 -0.594 1.00 39.45 O HETATM 897 O HOH 101 -2.825 16.806 -2.965 1.00 39.80 O HETATM 898 O HOH 102 8.032 33.152 20.128 1.00 34.99 O HETATM 899 O HOH 103 9.708 11.631 1.368 1.00 44.13 O HETATM 900 O HOH 104 1.287 17.764 24.050 1.00 7.75 O HETATM 901 O HOH 105 3.826 18.946 24.175 1.00 5.59 O HETATM 902 O HOH 106 10.510 26.192 23.634 1.00 6.78 O HETATM 903 O HOH 107 12.504 20.818 24.862 1.00 8.25 O HETATM 904 O HOH 108 16.757 19.438 16.042 1.00 18.14 O HETATM 905 O HOH 109 13.988 20.025 27.027 1.00 16.56 O HETATM 906 O HOH 110 13.588 23.455 24.059 1.00 19.10 O HETATM 907 O HOH 111 17.874 24.097 21.311 1.00 26.89 O HETATM 908 O HOH 112 14.377 27.153 16.613 1.00 36.56 O HETATM 909 O HOH 113 16.437 20.447 25.020 1.00 39.57 O HETATM 910 O HOH 114 17.591 23.200 10.808 1.00 39.21 O HETATM 911 N ASN A 115 24.942 20.519 18.332 1.00 0.24 N HETATM 912 CA ASN A 115 23.734 21.331 18.434 1.00 0.08 C HETATM 913 C ASN A 115 23.015 21.493 17.100 1.00 0.23 C HETATM 914 O ASN A 115 23.635 21.466 16.036 1.00 -0.39 O HETATM 915 N ASN A 115 21.699 21.663 17.171 1.00 -0.26 N HETATM 916 CA ASN A 115 20.897 21.936 15.988 1.00 0.15 C HETATM 917 C ASN A 115 21.228 23.321 15.439 1.00 0.21 C HETATM 918 O ASN A 115 21.675 24.197 16.179 1.00 -0.39 O HETATM 919 N ASN A 115 21.017 23.512 14.141 1.00 -0.26 N HETATM 920 CA ASN A 115 21.286 24.799 13.510 1.00 0.13 C HETATM 921 C ASN A 115 20.547 25.916 14.238 1.00 0.20 C HETATM 922 O ASN A 115 21.079 27.010 14.428 1.00 -0.39 O HETATM 923 N ASN A 115 19.316 25.625 14.640 1.00 -0.26 N HETATM 924 CA ASN A 115 18.505 26.556 15.413 1.00 0.14 C HETATM 925 C ASN A 115 17.942 25.810 16.614 1.00 0.21 C HETATM 926 O ASN A 115 17.952 24.580 16.629 1.00 -0.39 O HETATM 927 N ASN A 115 17.449 26.548 17.625 1.00 -0.25 N HETATM 928 CA ASN A 115 16.871 25.900 18.807 1.00 0.13 C HETATM 929 C ASN A 115 15.895 24.771 18.469 1.00 0.20 C HETATM 930 O ASN A 115 15.202 24.799 17.450 1.00 -0.39 O HETATM 931 N ASN A 115 15.858 23.784 19.350 1.00 -0.26 N HETATM 932 CA ASN A 115 15.000 22.627 19.188 1.00 0.16 C HETATM 933 C ASN A 115 14.197 22.433 20.462 1.00 0.21 C HETATM 934 O ASN A 115 14.725 22.612 21.559 1.00 -0.39 O HETATM 935 N ASN A 115 12.925 22.074 20.315 1.00 -0.26 N HETATM 936 CA ASN A 115 12.081 21.739 21.452 1.00 0.15 C HETATM 937 C ASN A 115 11.495 20.355 21.250 1.00 0.21 C HETATM 938 O ASN A 115 11.069 20.010 20.144 1.00 -0.39 O HETATM 939 N ASN A 115 11.480 19.568 22.319 1.00 -0.26 N HETATM 940 CA ASN A 115 10.797 18.284 22.312 1.00 0.13 C HETATM 941 C ASN A 115 9.383 18.510 22.822 1.00 0.20 C HETATM 942 O ASN A 115 9.191 19.135 23.866 1.00 -0.39 O HETATM 943 N ASN A 115 8.398 18.030 22.069 1.00 -0.27 N HETATM 944 CA ASN A 115 6.991 18.300 22.350 1.00 0.10 C HETATM 945 C ASN A 115 6.118 17.082 22.113 1.00 0.06 C HETATM 946 O ASN A 115 6.584 16.038 21.610 1.00 -0.57 O HETATM 947 OXT ASN A 115 4.930 17.156 22.454 1.00 -0.57 O HETATM 948 CB ASN A 115 6.442 19.486 21.520 1.00 -0.01 C HETATM 949 CG1 ASN A 115 6.493 19.177 20.021 1.00 -0.05 C HETATM 950 CD1 ASN A 115 5.822 20.224 19.151 1.00 -0.06 C HETATM 951 H ASN A 115 5.902 19.929 18.094 1.00 0.02 H HETATM 952 H ASN A 115 6.317 21.195 19.299 1.00 0.02 H HETATM 953 H ASN A 115 4.761 20.307 19.429 1.00 0.02 H HETATM 954 H ASN A 115 5.992 18.213 19.849 1.00 0.03 H HETATM 955 H ASN A 115 7.548 19.101 19.719 1.00 0.03 H HETATM 956 CG2 ASN A 115 7.209 20.771 21.821 1.00 -0.06 C HETATM 957 H ASN A 115 7.164 20.981 22.900 1.00 0.02 H HETATM 958 H ASN A 115 6.757 21.606 21.266 1.00 0.02 H HETATM 959 H ASN A 115 8.258 20.652 21.514 1.00 0.02 H HETATM 960 H ASN A 115 5.390 19.641 21.803 1.00 0.03 H HETATM 961 H ASN A 115 6.916 18.569 23.414 1.00 0.07 H HETATM 962 H ASN A 115 8.630 17.462 21.279 1.00 0.19 H HETATM 963 CB ASN A 115 11.530 17.225 23.162 1.00 -0.00 C HETATM 964 CG1 ASN A 115 11.696 17.680 24.609 1.00 -0.05 C HETATM 965 CD1 ASN A 115 12.272 16.603 25.509 1.00 -0.06 C HETATM 966 H ASN A 115 12.366 16.993 26.533 1.00 0.02 H HETATM 967 H ASN A 115 13.264 16.306 25.137 1.00 0.02 H HETATM 968 H ASN A 115 11.604 15.729 25.509 1.00 0.02 H HETATM 969 H ASN A 115 10.710 17.972 25.000 1.00 0.03 H HETATM 970 H ASN A 115 12.370 18.549 24.628 1.00 0.03 H HETATM 971 CG2 ASN A 115 12.890 16.892 22.553 1.00 -0.06 C HETATM 972 H ASN A 115 12.755 16.566 21.511 1.00 0.02 H HETATM 973 H ASN A 115 13.363 16.085 23.131 1.00 0.02 H HETATM 974 H ASN A 115 13.531 17.785 22.578 1.00 0.02 H HETATM 975 H ASN A 115 10.920 16.309 23.162 1.00 0.03 H HETATM 976 H ASN A 115 10.749 17.916 21.277 1.00 0.08 H HETATM 977 H ASN A 115 11.950 19.866 23.150 1.00 0.19 H HETATM 978 CB ASN A 115 10.943 22.744 21.617 1.00 0.08 C HETATM 979 OG ASN A 115 11.443 24.021 21.961 1.00 -0.39 O HETATM 980 H ASN A 115 12.025 24.328 21.275 1.00 0.21 H HETATM 981 H ASN A 115 10.268 22.396 22.412 1.00 0.06 H HETATM 982 H ASN A 115 10.388 22.818 20.670 1.00 0.06 H HETATM 983 H ASN A 115 12.695 21.744 22.364 1.00 0.08 H HETATM 984 H ASN A 115 12.537 22.033 19.395 1.00 0.19 H HETATM 985 CB ASN A 115 15.846 21.381 18.929 1.00 0.09 C HETATM 986 OG1 ASN A 115 16.542 21.540 17.688 1.00 -0.39 O HETATM 987 H ASN A 115 17.070 20.768 17.521 1.00 0.21 H HETATM 988 CG2 ASN A 115 14.980 20.134 18.863 1.00 -0.03 C HETATM 989 H ASN A 115 15.616 19.256 18.676 1.00 0.03 H HETATM 990 H ASN A 115 14.249 20.238 18.048 1.00 0.03 H HETATM 991 H ASN A 115 14.449 20.006 19.818 1.00 0.03 H HETATM 992 H ASN A 115 16.575 21.267 19.745 1.00 0.06 H HETATM 993 H ASN A 115 14.318 22.790 18.340 1.00 0.08 H HETATM 994 H ASN A 115 16.444 23.838 20.158 1.00 0.19 H HETATM 995 CB ASN A 115 16.143 27.048 19.509 1.00 -0.01 C HETATM 996 CG ASN A 115 16.951 28.250 19.160 1.00 -0.03 C HETATM 997 CD ASN A 115 17.476 28.016 17.758 1.00 0.04 C HETATM 998 H ASN A 115 16.825 28.491 17.009 1.00 0.05 H HETATM 999 H ASN A 115 18.500 28.402 17.651 1.00 0.05 H HETATM 1000 H ASN A 115 17.787 28.365 19.866 1.00 0.03 H HETATM 1001 H ASN A 115 16.322 29.152 19.186 1.00 0.03 H HETATM 1002 H ASN A 115 16.124 26.892 20.598 1.00 0.03 H HETATM 1003 H ASN A 115 15.114 27.146 19.134 1.00 0.03 H HETATM 1004 H ASN A 115 17.670 25.496 19.446 1.00 0.08 H HETATM 1005 CB ASN A 115 17.371 27.103 14.550 1.00 0.02 C HETATM 1006 CG ASN A 115 17.849 27.756 13.278 1.00 -0.05 C HETATM 1007 CD1 ASN A 115 18.401 29.029 13.297 1.00 -0.07 C HETATM 1008 CE1 ASN A 115 18.841 29.633 12.138 1.00 -0.04 C HETATM 1009 CZ ASN A 115 18.729 28.966 10.940 1.00 0.08 C HETATM 1010 CE2 ASN A 115 18.184 27.702 10.891 1.00 -0.04 C HETATM 1011 CD2 ASN A 115 17.747 27.103 12.057 1.00 -0.07 C HETATM 1012 H ASN A 115 17.318 26.108 12.018 1.00 0.05 H HETATM 1013 H ASN A 115 18.099 27.181 9.944 1.00 0.05 H HETATM 1014 OH ASN A 115 19.166 29.568 9.783 1.00 -0.34 O HETATM 1015 H ASN A 115 19.512 30.429 9.986 1.00 0.25 H HETATM 1016 H ASN A 115 19.272 30.627 12.171 1.00 0.05 H HETATM 1017 H ASN A 115 18.488 29.558 14.239 1.00 0.05 H HETATM 1018 H ASN A 115 16.814 27.849 15.137 1.00 0.05 H HETATM 1019 H ASN A 115 16.702 26.271 14.285 1.00 0.05 H HETATM 1020 H ASN A 115 19.131 27.392 15.759 1.00 0.08 H HETATM 1021 H ASN A 115 18.931 24.733 14.403 1.00 0.19 H HETATM 1022 CB ASN A 115 20.877 24.773 12.038 1.00 -0.01 C HETATM 1023 CG ASN A 115 21.305 26.008 11.265 1.00 -0.02 C HETATM 1024 CD ASN A 115 20.899 25.917 9.803 1.00 0.06 C HETATM 1025 NE ASN A 115 21.241 24.624 9.219 1.00 -0.27 N HETATM 1026 CZ ASN A 115 20.349 23.745 8.773 1.00 0.29 C HETATM 1027 NH1 ASN A 115 19.054 24.023 8.832 1.00 -0.28 N HETATM 1028 H ASN A 115 18.364 23.341 8.486 1.00 0.26 H HETATM 1029 H ASN A 115 18.738 24.921 9.224 1.00 0.26 H HETATM 1030 NH2 ASN A 115 20.752 22.591 8.259 1.00 -0.28 N HETATM 1031 H ASN A 115 21.757 22.371 8.211 1.00 0.26 H HETATM 1032 H ASN A 115 20.060 21.914 7.907 1.00 0.26 H HETATM 1033 H ASN A 115 22.238 24.376 9.148 1.00 0.26 H HETATM 1034 H ASN A 115 21.417 26.708 9.241 1.00 0.07 H HETATM 1035 H ASN A 115 19.812 26.064 9.727 1.00 0.07 H HETATM 1036 H ASN A 115 22.399 26.108 11.327 1.00 0.03 H HETATM 1037 H ASN A 115 20.830 26.893 11.714 1.00 0.03 H HETATM 1038 H ASN A 115 19.781 24.691 11.983 1.00 0.03 H HETATM 1039 H ASN A 115 21.335 23.891 11.566 1.00 0.03 H HETATM 1040 H ASN A 115 22.366 24.997 13.569 1.00 0.08 H HETATM 1041 H ASN A 115 20.667 22.758 13.585 1.00 0.19 H HETATM 1042 CB ASN A 115 19.408 21.835 16.327 1.00 0.08 C HETATM 1043 OG ASN A 115 19.104 22.543 17.520 1.00 -0.39 O HETATM 1044 H ASN A 115 18.176 22.464 17.706 1.00 0.21 H HETATM 1045 H ASN A 115 19.141 20.776 16.460 1.00 0.06 H HETATM 1046 H ASN A 115 18.822 22.259 15.499 1.00 0.06 H HETATM 1047 H ASN A 115 21.134 21.186 15.219 1.00 0.08 H HETATM 1048 H ASN A 115 21.248 21.602 18.061 1.00 0.19 H HETATM 1049 CB ASN A 115 24.052 22.715 19.010 1.00 0.10 C HETATM 1050 CG ASN A 115 24.555 22.652 20.438 1.00 0.18 C HETATM 1051 OD1 ASN A 115 25.100 23.627 20.959 1.00 -0.40 O HETATM 1052 ND2 ASN A 115 24.381 21.502 21.079 1.00 -0.30 N HETATM 1053 H ASN A 115 24.694 21.404 22.024 1.00 0.18 H HETATM 1054 H ASN A 115 23.937 20.734 20.617 1.00 0.18 H HETATM 1055 H ASN A 115 23.137 23.325 18.986 1.00 0.06 H HETATM 1056 H ASN A 115 24.824 23.187 18.385 1.00 0.06 H HETATM 1057 H ASN A 115 23.049 20.820 19.126 1.00 0.11 H HETATM 1058 H ASN A 115 25.375 20.445 19.239 1.00 0.20 H HETATM 1059 H ASN A 115 25.584 20.952 17.687 1.00 0.20 H HETATM 1060 H ASN A 115 24.701 19.599 17.999 1.00 0.20 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 911 912 1058 1059 1060 CONECT 912 911 913 1049 1057 CONECT 913 912 914 915 CONECT 914 913 CONECT 915 913 916 1048 CONECT 916 915 917 1042 1047 CONECT 917 916 918 919 CONECT 918 917 CONECT 919 917 920 1041 CONECT 920 919 921 1022 1040 CONECT 921 920 922 923 CONECT 922 921 CONECT 923 921 924 1021 CONECT 924 923 925 1005 1020 CONECT 925 924 926 927 CONECT 926 925 CONECT 927 925 928 997 CONECT 928 927 929 995 1004 CONECT 929 928 930 931 CONECT 930 929 CONECT 931 929 932 994 CONECT 932 931 933 985 993 CONECT 933 932 934 935 CONECT 934 933 CONECT 935 933 936 984 CONECT 936 935 937 978 983 CONECT 937 936 938 939 CONECT 938 937 CONECT 939 937 940 977 CONECT 940 939 941 963 976 CONECT 941 940 942 943 CONECT 942 941 CONECT 943 941 944 962 CONECT 944 943 945 948 961 CONECT 945 944 946 947 CONECT 946 945 CONECT 947 945 CONECT 948 944 949 956 960 CONECT 949 948 950 954 955 CONECT 950 949 951 952 953 CONECT 951 950 CONECT 952 950 CONECT 953 950 CONECT 954 949 CONECT 955 949 CONECT 956 948 957 958 959 CONECT 957 956 CONECT 958 956 CONECT 959 956 CONECT 960 948 CONECT 961 944 CONECT 962 943 CONECT 963 940 964 971 975 CONECT 964 963 965 969 970 CONECT 965 964 966 967 968 CONECT 966 965 CONECT 967 965 CONECT 968 965 CONECT 969 964 CONECT 970 964 CONECT 971 963 972 973 974 CONECT 972 971 CONECT 973 971 CONECT 974 971 CONECT 975 963 CONECT 976 940 CONECT 977 939 CONECT 978 936 979 981 982 CONECT 979 978 980 CONECT 980 979 CONECT 981 978 CONECT 982 978 CONECT 983 936 CONECT 984 935 CONECT 985 932 986 988 992 CONECT 986 985 987 CONECT 987 986 CONECT 988 985 989 990 991 CONECT 989 988 CONECT 990 988 CONECT 991 988 CONECT 992 985 CONECT 993 932 CONECT 994 931 CONECT 995 928 996 1002 1003 CONECT 996 995 997 1000 1001 CONECT 997 927 996 998 999 CONECT 998 997 CONECT 999 997 CONECT 1000 996 CONECT 1001 996 CONECT 1002 995 CONECT 1003 995 CONECT 1004 928 CONECT 1005 924 1006 1018 1019 CONECT 1006 1005 1007 1011 CONECT 1007 1006 1008 1017 CONECT 1008 1007 1009 1016 CONECT 1009 1008 1010 1014 CONECT 1010 1009 1011 1013 CONECT 1011 1006 1010 1012 CONECT 1012 1011 CONECT 1013 1010 CONECT 1014 1009 1015 CONECT 1015 1014 CONECT 1016 1008 CONECT 1017 1007 CONECT 1018 1005 CONECT 1019 1005 CONECT 1020 924 CONECT 1021 923 CONECT 1022 920 1023 1038 1039 CONECT 1023 1022 1024 1036 1037 CONECT 1024 1023 1025 1034 1035 CONECT 1025 1024 1026 1033 CONECT 1026 1025 1027 1030 CONECT 1027 1026 1028 1029 CONECT 1028 1027 CONECT 1029 1027 CONECT 1030 1026 1031 1032 CONECT 1031 1030 CONECT 1032 1030 CONECT 1033 1025 CONECT 1034 1024 CONECT 1035 1024 CONECT 1036 1023 CONECT 1037 1023 CONECT 1038 1022 CONECT 1039 1022 CONECT 1040 920 CONECT 1041 919 CONECT 1042 916 1043 1045 1046 CONECT 1043 1042 1044 CONECT 1044 1043 CONECT 1045 1042 CONECT 1046 1042 CONECT 1047 916 CONECT 1048 915 CONECT 1049 912 1050 1055 1056 CONECT 1050 1049 1051 1052 CONECT 1051 1050 CONECT 1052 1050 1053 1054 CONECT 1053 1052 CONECT 1054 1052 CONECT 1055 1049 CONECT 1056 1049 CONECT 1057 912 CONECT 1058 911 CONECT 1059 911 CONECT 1060 911 MASTER 0 0 0 0 0 0 0 0 1059 1 154 7 END
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Related entries of code: 4jok
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4e34
RCSB PDB
PDBbind
87aa, >4E34_1|Chains... *
4e35
RCSB PDB
PDBbind
87aa, >4E35_1|Chains... at 100%
4joe
RCSB PDB
PDBbind
87aa, >4JOE_1|Chains... at 100%
4jof
RCSB PDB
PDBbind
87aa, >4JOF_1|Chains... at 100%
4jog
RCSB PDB
PDBbind
87aa, >4JOG_1|Chains... at 100%
4joh
RCSB PDB
PDBbind
87aa, >4JOH_1|Chains... at 100%
4joj
RCSB PDB
PDBbind
87aa, >4JOJ_1|Chains... at 100%
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
4jof
RCSB PDB
PDBbind
10-mer
4jog
RCSB PDB
PDBbind
10-mer
4joh
RCSB PDB
PDBbind
10-mer
4joj
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
4jok
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
1.09(Å)
Affinity (Kd/Ki/IC50)
Ki=85.3uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Structure Vol. 22: pp. 82-93
Ligand Properties
Formula
C
4
6
H
7
7
N
1
3
O
1
5
Molecular Weight
1052.180
Exact Mass
1051.570
No. of atoms
151
No. of bonds
152
Polar Surface Area
478.97
LOGP Value
-3.29 (
Computed with XLOGP3
)
-3.74 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 13
No. of Hydrogen Bond Acceptors: 15
No. of Rotatable Bonds: 42
No. of Nitrogen and Oxygen Atoms: 28
No. of Rings: 2
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](Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N)[NH3+])CO)CCC[NH+]=C(N)N
InChI String
InChI=1S/C46H75N13O15/c1-6-22(3)34(42(70)57-35(45(73)74)23(4)7-2)56-40(68)31(21-61)55-43(71)36(24(5)62)58-41(69)32-11-9-17-59(32)44(72)29(18-25-12-14-26(63)15-13-25)53-38(66)28(10-8-16-51-46(49)50)52-39(67)30(20-60)54-37(65)27(47)19-33(48)64/h12-15,22-24,27-32,34-36,60-63H,6-11,16-21,47H2,1-5H3,(H2,48,64)(H,52,67)(H,53,66)(H,54,65)(H,55,71)(H,56,68)(H,57,70)(H,58,69)(H,73,74)(H4,49,50,51)/p+2/t22-,23-,24+,27-,28-,29-,30-,31-,32-,34-,35-,36-/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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