Browse entries in the PDBbind-CN Database
HEADER 5HFB_COMPLEX COMPND 5HFB_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 117 PRO GLU PHE LEU GLY GLU GLU ASP ILE PRO ARG GLU PRO SEQRES 2 A 117 ARG ARG ILE VAL ILE HIS ARG GLY SER THR GLY LEU GLY SEQRES 3 A 117 PHE ASN ILE VAL GLY GLY GLU ASP GLY GLU GLY ILE PHE SEQRES 4 A 117 ILE SER PHE ILE LEU ALA GLY GLY PRO ALA ASP LEU SER SEQRES 5 A 117 GLY GLU LEU ARG LYS GLY ASP GLN ILE LEU SER VAL ASN SEQRES 6 A 117 GLY VAL ASP LEU ARG ASN ALA SER ALA GLU GLN ALA ALA SEQRES 7 A 117 ILE ALA LEU LYS ASN ALA GLY GLN THR VAL THR ILE ILE SEQRES 8 A 117 ALA GLN TYR LYS PRO GLU GLU TYR SER ARG PHE GLU ALA SEQRES 9 A 117 ASN SER ARG VAL ASP SER SER GLY ARG ILE VAL THR ASP HET TYR A 266 92 ATOM 1 N PRO A 299 65.562 69.215 48.867 1.00 84.39 N ATOM 2 CA PRO A 299 64.520 69.263 47.838 1.00 79.69 C ATOM 3 C PRO A 299 63.294 68.439 48.210 1.00 71.60 C ATOM 4 O PRO A 299 63.422 67.395 48.850 1.00 75.61 O ATOM 5 CB PRO A 299 65.214 68.683 46.596 1.00 80.43 C ATOM 6 CG PRO A 299 66.516 68.070 47.084 1.00 87.34 C ATOM 7 CD PRO A 299 66.541 68.155 48.582 1.00 88.67 C ATOM 8 HN2 PRO A 299 65.120 69.030 49.790 1.00 0.00 H ATOM 9 HN1 PRO A 299 66.053 70.132 48.897 1.00 0.00 H ATOM 10 N GLU A 300 62.121 68.911 47.805 1.00 54.95 N ATOM 11 CA GLU A 300 60.862 68.257 48.141 1.00 49.01 C ATOM 12 C GLU A 300 60.151 67.810 46.866 1.00 46.45 C ATOM 13 O GLU A 300 59.527 68.620 46.181 1.00 35.86 O ATOM 14 CB GLU A 300 59.981 69.206 48.955 1.00 48.44 C ATOM 15 CG GLU A 300 58.621 68.656 49.337 1.00 52.40 C ATOM 16 CD GLU A 300 57.935 69.522 50.377 1.00 55.33 C ATOM 17 OE1 GLU A 300 58.429 69.575 51.524 1.00 66.37 O ATOM 18 OE2 GLU A 300 56.915 70.161 50.047 1.00 39.72 O ATOM 19 H GLU A 300 62.100 69.776 47.229 1.00 0.00 H ATOM 20 N PHE A 301 60.249 66.517 46.563 1.00 44.80 N ATOM 21 CA PHE A 301 59.771 65.977 45.292 1.00 40.66 C ATOM 22 C PHE A 301 58.312 65.543 45.352 1.00 44.22 C ATOM 23 O PHE A 301 57.887 64.854 46.280 1.00 49.51 O ATOM 24 CB PHE A 301 60.643 64.794 44.860 1.00 34.53 C ATOM 25 CG PHE A 301 62.073 65.158 44.640 1.00 37.40 C ATOM 26 CD1 PHE A 301 62.429 66.004 43.606 1.00 36.04 C ATOM 27 CD2 PHE A 301 63.068 64.664 45.470 1.00 46.57 C ATOM 28 CE1 PHE A 301 63.751 66.351 43.398 1.00 41.21 C ATOM 29 CE2 PHE A 301 64.394 65.006 45.266 1.00 52.67 C ATOM 30 CZ PHE A 301 64.735 65.853 44.230 1.00 48.28 C ATOM 31 H PHE A 301 60.680 65.870 47.254 1.00 0.00 H ATOM 32 N LEU A 302 57.553 65.952 44.341 1.00 36.83 N ATOM 33 CA LEU A 302 56.140 65.624 44.254 1.00 35.25 C ATOM 34 C LEU A 302 55.962 64.124 44.084 1.00 33.31 C ATOM 35 O LEU A 302 54.978 63.551 44.546 1.00 33.47 O ATOM 36 CB LEU A 302 55.487 66.366 43.087 1.00 38.83 C ATOM 37 CG LEU A 302 55.234 67.871 43.246 1.00 33.75 C ATOM 38 CD1 LEU A 302 54.220 68.129 44.343 1.00 41.81 C ATOM 39 CD2 LEU A 302 56.510 68.629 43.526 1.00 39.21 C ATOM 40 H LEU A 302 57.984 66.525 43.588 1.00 0.00 H ATOM 41 N GLY A 303 56.937 63.494 43.434 1.00 34.52 N ATOM 42 CA GLY A 303 56.828 62.101 43.040 1.00 46.60 C ATOM 43 C GLY A 303 56.712 61.133 44.197 1.00 45.52 C ATOM 44 O GLY A 303 56.333 59.978 44.013 1.00 49.70 O ATOM 45 H GLY A 303 57.805 64.016 43.201 1.00 0.00 H ATOM 46 N GLU A 304 57.038 61.606 45.392 1.00 41.53 N ATOM 47 CA GLU A 304 56.978 60.776 46.584 1.00 47.83 C ATOM 48 C GLU A 304 55.581 60.797 47.211 1.00 51.74 C ATOM 49 O GLU A 304 55.185 59.856 47.902 1.00 44.56 O ATOM 50 CB GLU A 304 58.031 61.243 47.593 1.00 56.35 C ATOM 51 CG GLU A 304 59.453 61.211 47.035 1.00 63.45 C ATOM 52 CD GLU A 304 60.519 61.167 48.114 1.00 70.47 C ATOM 53 OE1 GLU A 304 60.265 60.576 49.186 1.00 72.99 O ATOM 54 OE2 GLU A 304 61.618 61.720 47.887 1.00 73.51 O ATOM 55 H GLU A 304 57.344 62.596 45.479 1.00 0.00 H ATOM 56 N GLU A 305 54.826 61.857 46.942 1.00 38.91 N ATOM 57 CA GLU A 305 53.535 62.063 47.592 1.00 24.32 C ATOM 58 C GLU A 305 52.437 61.255 46.931 1.00 23.59 C ATOM 59 O GLU A 305 52.394 61.122 45.708 1.00 25.11 O ATOM 60 CB GLU A 305 53.168 63.548 47.575 1.00 22.46 C ATOM 61 CG GLU A 305 54.185 64.395 48.309 1.00 24.03 C ATOM 62 CD GLU A 305 54.111 65.862 47.951 1.00 28.28 C ATOM 63 OE1 GLU A 305 53.165 66.262 47.243 1.00 29.38 O ATOM 64 OE2 GLU A 305 55.013 66.609 48.386 1.00 34.35 O ATOM 65 H GLU A 305 55.163 62.557 46.251 1.00 0.00 H ATOM 66 N ASP A 306 51.534 60.730 47.750 1.00 24.76 N ATOM 67 CA ASP A 306 50.436 59.923 47.231 1.00 25.61 C ATOM 68 C ASP A 306 49.537 60.763 46.338 1.00 25.43 C ATOM 69 O ASP A 306 49.263 61.927 46.628 1.00 21.42 O ATOM 70 CB ASP A 306 49.616 59.319 48.369 1.00 26.75 C ATOM 71 CG ASP A 306 50.390 58.288 49.170 1.00 36.95 C ATOM 72 OD1 ASP A 306 51.422 57.781 48.677 1.00 37.65 O ATOM 73 OD2 ASP A 306 49.954 57.977 50.297 1.00 42.46 O ATOM 74 H ASP A 306 51.610 60.896 48.774 1.00 0.00 H ATOM 75 N ILE A 307 49.089 60.166 45.241 1.00 21.54 N ATOM 76 CA ILE A 307 48.107 60.797 44.377 1.00 18.73 C ATOM 77 C ILE A 307 46.735 60.633 45.035 1.00 16.57 C ATOM 78 O ILE A 307 46.356 59.511 45.381 1.00 16.84 O ATOM 79 CB ILE A 307 48.142 60.188 42.975 1.00 19.25 C ATOM 80 CG1 ILE A 307 49.495 60.477 42.323 1.00 24.90 C ATOM 81 CG2 ILE A 307 47.003 60.731 42.126 1.00 14.17 C ATOM 82 CD1 ILE A 307 49.736 59.713 41.052 1.00 27.43 C ATOM 83 H ILE A 307 49.450 59.223 44.994 1.00 0.00 H ATOM 84 N PRO A 308 45.994 61.741 45.223 1.00 13.41 N ATOM 85 CA PRO A 308 44.652 61.705 45.825 1.00 15.07 C ATOM 86 C PRO A 308 43.696 60.737 45.141 1.00 14.05 C ATOM 87 O PRO A 308 43.608 60.739 43.916 1.00 11.53 O ATOM 88 CB PRO A 308 44.167 63.144 45.667 1.00 20.84 C ATOM 89 CG PRO A 308 45.419 63.947 45.711 1.00 23.31 C ATOM 90 CD PRO A 308 46.420 63.132 44.962 1.00 19.28 C ATOM 91 N ARG A 309 42.997 59.926 45.936 1.00 13.12 N ATOM 92 CA ARG A 309 42.114 58.899 45.398 1.00 12.67 C ATOM 93 C ARG A 309 40.631 59.242 45.565 1.00 11.77 C ATOM 94 O ARG A 309 39.769 58.471 45.176 1.00 12.44 O ATOM 95 CB ARG A 309 42.446 57.559 46.055 1.00 14.03 C ATOM 96 CG ARG A 309 43.683 56.911 45.427 1.00 16.31 C ATOM 97 CD ARG A 309 44.105 55.689 46.177 1.00 22.03 C ATOM 98 NE ARG A 309 45.340 55.123 45.640 1.00 21.82 N ATOM 99 CZ ARG A 309 45.399 54.147 44.740 1.00 20.27 C ATOM 100 NH1 ARG A 309 44.288 53.602 44.247 1.00 17.91 N ATOM 101 NH2 ARG A 309 46.585 53.699 44.349 1.00 20.05 N ATOM 102 HE ARG A 309 46.239 55.513 45.988 1.00 0.00 H ATOM 103 HH12 ARG A 309 44.351 52.839 43.543 1.00 0.00 H ATOM 104 HH11 ARG A 309 43.357 53.940 44.566 1.00 0.00 H ATOM 105 HH22 ARG A 309 46.646 52.936 43.645 1.00 0.00 H ATOM 106 HH21 ARG A 309 47.453 54.111 44.746 1.00 0.00 H ATOM 107 H ARG A 309 43.084 60.029 46.967 1.00 0.00 H ATOM 108 N GLU A 310 40.334 60.406 46.130 1.00 13.12 N ATOM 109 CA GLU A 310 38.942 60.822 46.277 1.00 13.31 C ATOM 110 C GLU A 310 38.463 61.493 44.996 1.00 12.19 C ATOM 111 O GLU A 310 39.268 62.052 44.252 1.00 12.00 O ATOM 112 CB GLU A 310 38.765 61.778 47.458 1.00 18.63 C ATOM 113 CG GLU A 310 39.848 62.829 47.587 1.00 22.27 C ATOM 114 CD GLU A 310 41.029 62.332 48.407 1.00 29.35 C ATOM 115 OE1 GLU A 310 42.157 62.314 47.874 1.00 28.24 O ATOM 116 OE2 GLU A 310 40.826 61.949 49.580 1.00 41.36 O ATOM 117 H GLU A 310 41.097 61.025 46.470 1.00 0.00 H ATOM 118 N PRO A 311 37.141 61.464 44.746 1.00 11.24 N ATOM 119 CA PRO A 311 36.615 62.059 43.513 1.00 10.33 C ATOM 120 C PRO A 311 36.839 63.559 43.468 1.00 10.27 C ATOM 121 O PRO A 311 36.801 64.231 44.512 1.00 13.89 O ATOM 122 CB PRO A 311 35.113 61.744 43.560 1.00 12.11 C ATOM 123 CG PRO A 311 34.951 60.717 44.623 1.00 17.25 C ATOM 124 CD PRO A 311 36.062 60.930 45.596 1.00 15.54 C ATOM 125 N ARG A 312 37.074 64.066 42.268 1.00 9.80 N ATOM 126 CA ARG A 312 37.282 65.498 42.045 1.00 12.17 C ATOM 127 C ARG A 312 36.365 65.998 40.946 1.00 9.88 C ATOM 128 O ARG A 312 36.003 65.248 40.045 1.00 10.94 O ATOM 129 CB ARG A 312 38.728 65.806 41.644 1.00 14.62 C ATOM 130 CG ARG A 312 39.801 65.246 42.559 1.00 13.92 C ATOM 131 CD ARG A 312 40.509 64.068 41.928 1.00 11.12 C ATOM 132 NE ARG A 312 41.054 64.388 40.609 1.00 11.43 N ATOM 133 CZ ARG A 312 41.379 63.472 39.702 1.00 10.54 C ATOM 134 NH1 ARG A 312 41.235 62.188 39.973 1.00 11.03 N ATOM 135 NH2 ARG A 312 41.850 63.839 38.521 1.00 11.55 N ATOM 136 HE ARG A 312 41.195 65.389 40.367 1.00 0.00 H ATOM 137 HH12 ARG A 312 41.490 61.474 39.261 1.00 0.00 H ATOM 138 HH11 ARG A 312 40.866 61.890 40.899 1.00 0.00 H ATOM 139 HH22 ARG A 312 42.103 63.118 37.815 1.00 0.00 H ATOM 140 HH21 ARG A 312 41.967 64.848 38.299 1.00 0.00 H ATOM 141 H ARG A 312 37.112 63.422 41.452 1.00 0.00 H ATOM 142 N ARG A 313 36.030 67.280 41.019 1.00 12.04 N ATOM 143 CA ARG A 313 35.320 67.946 39.942 1.00 11.75 C ATOM 144 C ARG A 313 36.316 68.701 39.079 1.00 11.52 C ATOM 145 O ARG A 313 37.104 69.504 39.587 1.00 13.26 O ATOM 146 CB ARG A 313 34.267 68.911 40.484 1.00 14.21 C ATOM 147 CG ARG A 313 33.425 69.552 39.377 1.00 16.60 C ATOM 148 CD ARG A 313 32.425 70.553 39.921 1.00 20.80 C ATOM 149 NE ARG A 313 31.481 69.928 40.838 1.00 22.25 N ATOM 150 CZ ARG A 313 31.542 70.000 42.164 1.00 27.10 C ATOM 151 NH1 ARG A 313 32.503 70.686 42.774 1.00 28.00 N ATOM 152 NH2 ARG A 313 30.616 69.388 42.889 1.00 27.93 N ATOM 153 HE ARG A 313 30.698 69.383 40.423 1.00 0.00 H ATOM 154 HH12 ARG A 313 32.532 70.729 43.813 1.00 0.00 H ATOM 155 HH11 ARG A 313 33.226 71.180 42.213 1.00 0.00 H ATOM 156 HH22 ARG A 313 30.652 69.437 43.927 1.00 0.00 H ATOM 157 HH21 ARG A 313 29.853 68.859 42.420 1.00 0.00 H ATOM 158 H ARG A 313 36.283 67.822 41.870 1.00 0.00 H ATOM 159 N ILE A 314 36.261 68.452 37.777 1.00 12.51 N ATOM 160 CA ILE A 314 37.102 69.152 36.808 1.00 14.32 C ATOM 161 C ILE A 314 36.193 69.853 35.818 1.00 12.34 C ATOM 162 O ILE A 314 35.332 69.212 35.220 1.00 14.08 O ATOM 163 CB ILE A 314 38.060 68.201 36.068 1.00 14.09 C ATOM 164 CG1 ILE A 314 39.038 67.532 37.033 1.00 14.43 C ATOM 165 CG2 ILE A 314 38.838 68.949 34.993 1.00 14.27 C ATOM 166 CD1 ILE A 314 38.530 66.231 37.592 1.00 16.45 C ATOM 167 H ILE A 314 35.594 67.732 37.433 1.00 0.00 H ATOM 168 N VAL A 315 36.391 71.154 35.624 1.00 13.00 N ATOM 169 CA VAL A 315 35.617 71.889 34.626 1.00 16.41 C ATOM 170 C VAL A 315 36.533 72.334 33.502 1.00 17.90 C ATOM 171 O VAL A 315 37.447 73.121 33.714 1.00 17.43 O ATOM 172 CB VAL A 315 34.893 73.091 35.244 1.00 18.36 C ATOM 173 CG1 VAL A 315 34.024 73.780 34.196 1.00 21.19 C ATOM 174 CG2 VAL A 315 34.047 72.644 36.426 1.00 19.79 C ATOM 175 H VAL A 315 37.106 71.654 36.190 1.00 0.00 H ATOM 176 N ILE A 316 36.285 71.809 32.307 1.00 16.73 N ATOM 177 CA ILE A 316 37.076 72.145 31.130 1.00 18.82 C ATOM 178 C ILE A 316 36.255 73.026 30.205 1.00 19.48 C ATOM 179 O ILE A 316 35.145 72.669 29.814 1.00 17.89 O ATOM 180 CB ILE A 316 37.543 70.879 30.398 1.00 16.45 C ATOM 181 CG1 ILE A 316 38.473 70.065 31.297 1.00 20.06 C ATOM 182 CG2 ILE A 316 38.236 71.238 29.084 1.00 17.18 C ATOM 183 CD1 ILE A 316 38.776 68.687 30.761 1.00 21.69 C ATOM 184 H ILE A 316 35.499 71.135 32.208 1.00 0.00 H ATOM 185 N HIS A 317 36.807 74.181 29.846 1.00 19.54 N ATOM 186 CA HIS A 317 36.171 75.056 28.877 1.00 21.88 C ATOM 187 C HIS A 317 36.906 74.918 27.558 1.00 22.27 C ATOM 188 O HIS A 317 38.036 75.385 27.433 1.00 25.60 O ATOM 189 CB HIS A 317 36.186 76.508 29.358 1.00 36.57 C ATOM 190 CG HIS A 317 35.732 76.672 30.772 1.00 27.12 C ATOM 191 ND1 HIS A 317 34.399 76.728 31.128 1.00 30.76 N ATOM 192 CD2 HIS A 317 36.432 76.771 31.924 1.00 28.90 C ATOM 193 CE1 HIS A 317 34.303 76.857 32.436 1.00 28.38 C ATOM 194 NE2 HIS A 317 35.524 76.893 32.945 1.00 30.95 N ATOM 195 H HIS A 317 37.714 74.464 30.268 1.00 0.00 H ATOM 196 N ARG A 318 36.270 74.274 26.579 1.00 20.69 N ATOM 197 CA ARG A 318 36.945 73.939 25.325 1.00 21.25 C ATOM 198 C ARG A 318 36.238 74.465 24.086 1.00 23.65 C ATOM 199 O ARG A 318 36.604 74.104 22.974 1.00 23.91 O ATOM 200 CB ARG A 318 37.109 72.417 25.198 1.00 19.77 C ATOM 201 CG ARG A 318 35.866 71.585 25.480 1.00 22.28 C ATOM 202 CD ARG A 318 34.864 71.609 24.337 1.00 22.60 C ATOM 203 NE ARG A 318 33.763 70.671 24.565 1.00 21.53 N ATOM 204 CZ ARG A 318 33.716 69.419 24.108 1.00 20.09 C ATOM 205 NH1 ARG A 318 34.704 68.923 23.375 1.00 21.15 N ATOM 206 NH2 ARG A 318 32.663 68.653 24.380 1.00 19.53 N ATOM 207 HE ARG A 318 32.955 71.007 25.127 1.00 0.00 H ATOM 208 HH12 ARG A 318 34.652 67.945 23.026 1.00 0.00 H ATOM 209 HH11 ARG A 318 35.530 69.512 23.149 1.00 0.00 H ATOM 210 HH22 ARG A 318 32.625 67.676 24.024 1.00 0.00 H ATOM 211 HH21 ARG A 318 31.878 69.031 24.948 1.00 0.00 H ATOM 212 H ARG A 318 35.274 74.004 26.709 1.00 0.00 H ATOM 213 N GLY A 319 35.230 75.310 24.260 1.00 24.13 N ATOM 214 CA GLY A 319 34.506 75.823 23.105 1.00 26.20 C ATOM 215 C GLY A 319 34.039 74.706 22.187 1.00 27.19 C ATOM 216 O GLY A 319 33.279 73.831 22.607 1.00 27.17 O ATOM 217 H GLY A 319 34.957 75.605 25.219 1.00 0.00 H ATOM 218 N SER A 320 34.486 74.744 20.930 1.00 24.39 N ATOM 219 CA SER A 320 34.115 73.730 19.944 1.00 23.09 C ATOM 220 C SER A 320 35.332 73.000 19.378 1.00 19.75 C ATOM 221 O SER A 320 35.468 72.838 18.164 1.00 20.62 O ATOM 222 CB SER A 320 33.314 74.369 18.804 1.00 24.45 C ATOM 223 OG SER A 320 32.009 74.699 19.234 1.00 22.08 O ATOM 224 HG SER A 320 31.543 73.878 19.532 1.00 0.00 H ATOM 225 H SER A 320 35.118 75.519 20.643 1.00 0.00 H ATOM 226 N THR A 321 36.219 72.566 20.268 1.00 20.41 N ATOM 227 CA THR A 321 37.325 71.692 19.892 1.00 18.64 C ATOM 228 C THR A 321 37.314 70.453 20.783 1.00 18.32 C ATOM 229 O THR A 321 36.593 70.409 21.775 1.00 18.52 O ATOM 230 CB THR A 321 38.690 72.389 20.011 1.00 24.68 C ATOM 231 OG1 THR A 321 39.701 71.545 19.446 1.00 34.48 O ATOM 232 CG2 THR A 321 39.032 72.688 21.475 1.00 19.43 C ATOM 233 HG1 THR A 321 39.723 70.685 19.936 1.00 0.00 H ATOM 234 H THR A 321 36.122 72.858 21.261 1.00 0.00 H ATOM 235 N GLY A 322 38.104 69.449 20.413 1.00 16.67 N ATOM 236 CA GLY A 322 38.199 68.231 21.182 1.00 12.91 C ATOM 237 C GLY A 322 38.748 68.468 22.580 1.00 14.96 C ATOM 238 O GLY A 322 39.473 69.432 22.828 1.00 15.60 O ATOM 239 H GLY A 322 38.669 69.544 19.545 1.00 0.00 H ATOM 240 N LEU A 323 38.404 67.578 23.499 1.00 13.40 N ATOM 241 CA LEU A 323 38.902 67.670 24.867 1.00 12.34 C ATOM 242 C LEU A 323 40.383 67.321 24.989 1.00 12.47 C ATOM 243 O LEU A 323 41.050 67.756 25.927 1.00 15.16 O ATOM 244 CB LEU A 323 38.083 66.754 25.774 1.00 12.12 C ATOM 245 CG LEU A 323 36.671 67.251 26.070 1.00 13.35 C ATOM 246 CD1 LEU A 323 35.757 66.083 26.428 1.00 17.10 C ATOM 247 CD2 LEU A 323 36.733 68.242 27.206 1.00 18.23 C ATOM 248 H LEU A 323 37.766 66.798 23.240 1.00 0.00 H ATOM 249 N GLY A 324 40.900 66.519 24.062 1.00 12.34 N ATOM 250 CA GLY A 324 42.312 66.186 24.067 1.00 15.32 C ATOM 251 C GLY A 324 42.695 65.085 25.029 1.00 12.22 C ATOM 252 O GLY A 324 43.719 65.157 25.712 1.00 10.32 O ATOM 253 H GLY A 324 40.283 66.125 23.323 1.00 0.00 H ATOM 254 N PHE A 325 41.871 64.048 25.105 1.00 10.79 N ATOM 255 CA PHE A 325 42.321 62.839 25.779 1.00 10.11 C ATOM 256 C PHE A 325 41.646 61.607 25.199 1.00 10.88 C ATOM 257 O PHE A 325 40.626 61.699 24.509 1.00 11.85 O ATOM 258 CB PHE A 325 42.111 62.933 27.303 1.00 8.85 C ATOM 259 CG PHE A 325 40.672 63.009 27.758 1.00 10.87 C ATOM 260 CD1 PHE A 325 39.945 61.862 28.010 1.00 11.12 C ATOM 261 CD2 PHE A 325 40.087 64.232 28.034 1.00 11.80 C ATOM 262 CE1 PHE A 325 38.641 61.937 28.473 1.00 15.23 C ATOM 263 CE2 PHE A 325 38.789 64.315 28.493 1.00 12.47 C ATOM 264 CZ PHE A 325 38.062 63.167 28.714 1.00 15.11 C ATOM 265 H PHE A 325 40.919 64.098 24.690 1.00 0.00 H ATOM 266 N ASN A 326 42.247 60.456 25.472 1.00 10.32 N ATOM 267 CA ASN A 326 41.695 59.181 25.059 1.00 11.53 C ATOM 268 C ASN A 326 41.039 58.488 26.223 1.00 9.30 C ATOM 269 O ASN A 326 41.424 58.691 27.375 1.00 9.62 O ATOM 270 CB ASN A 326 42.774 58.273 24.496 1.00 12.21 C ATOM 271 CG ASN A 326 43.300 58.751 23.175 1.00 19.78 C ATOM 272 OD1 ASN A 326 43.024 59.869 22.737 1.00 18.58 O ATOM 273 ND2 ASN A 326 44.063 57.902 22.524 1.00 29.45 N ATOM 274 HD22 ASN A 326 44.269 56.968 22.933 1.00 0.00 H ATOM 275 HD21 ASN A 326 44.461 58.164 21.599 1.00 0.00 H ATOM 276 H ASN A 326 43.143 60.469 25.999 1.00 0.00 H ATOM 277 N ILE A 327 40.056 57.651 25.903 1.00 11.69 N ATOM 278 CA ILE A 327 39.432 56.796 26.911 1.00 11.45 C ATOM 279 C ILE A 327 39.538 55.335 26.511 1.00 11.97 C ATOM 280 O ILE A 327 39.564 55.000 25.321 1.00 13.93 O ATOM 281 CB ILE A 327 37.946 57.146 27.145 1.00 11.73 C ATOM 282 CG1 ILE A 327 37.157 57.081 25.837 1.00 14.69 C ATOM 283 CG2 ILE A 327 37.813 58.516 27.782 1.00 17.32 C ATOM 284 CD1 ILE A 327 35.648 57.144 26.037 1.00 21.77 C ATOM 285 H ILE A 327 39.726 57.604 24.918 1.00 0.00 H ATOM 286 N VAL A 328 39.605 54.473 27.523 1.00 10.85 N ATOM 287 CA VAL A 328 39.540 53.029 27.339 1.00 14.53 C ATOM 288 C VAL A 328 38.479 52.452 28.268 1.00 14.57 C ATOM 289 O VAL A 328 38.118 53.069 29.271 1.00 13.30 O ATOM 290 CB VAL A 328 40.909 52.355 27.600 1.00 15.88 C ATOM 291 CG1 VAL A 328 41.931 52.826 26.601 1.00 15.52 C ATOM 292 CG2 VAL A 328 41.393 52.632 29.017 1.00 14.72 C ATOM 293 H VAL A 328 39.708 54.847 28.488 1.00 0.00 H ATOM 294 N GLY A 329 37.977 51.267 27.923 1.00 16.60 N ATOM 295 CA GLY A 329 37.059 50.542 28.784 1.00 17.89 C ATOM 296 C GLY A 329 35.665 50.439 28.218 1.00 30.86 C ATOM 297 O GLY A 329 35.483 50.397 27.003 1.00 37.12 O ATOM 298 H GLY A 329 38.250 50.849 27.011 1.00 0.00 H ATOM 299 N GLY A 330 34.677 50.379 29.109 1.00 29.37 N ATOM 300 CA GLY A 330 33.283 50.420 28.712 1.00 29.36 C ATOM 301 C GLY A 330 32.648 49.055 28.550 1.00 39.77 C ATOM 302 O GLY A 330 31.438 48.943 28.350 1.00 41.89 O ATOM 303 H GLY A 330 34.912 50.300 30.119 1.00 0.00 H ATOM 304 N GLU A 331 33.462 48.011 28.641 1.00 37.43 N ATOM 305 CA GLU A 331 32.965 46.656 28.450 1.00 50.08 C ATOM 306 C GLU A 331 32.509 46.045 29.774 1.00 52.90 C ATOM 307 O GLU A 331 33.313 45.811 30.677 1.00 53.85 O ATOM 308 CB GLU A 331 34.041 45.788 27.795 1.00 62.63 C ATOM 309 CG GLU A 331 33.833 45.577 26.298 1.00 79.47 C ATOM 310 CD GLU A 331 33.906 46.868 25.501 1.00 90.00 C ATOM 311 OE1 GLU A 331 35.013 47.435 25.378 1.00 90.15 O ATOM 312 OE2 GLU A 331 32.856 47.315 24.994 1.00 95.39 O ATOM 313 H GLU A 331 34.469 48.163 28.852 1.00 0.00 H ATOM 314 N ASP A 332 31.204 45.812 29.882 1.00 53.16 N ATOM 315 CA ASP A 332 30.615 45.127 31.033 1.00 52.74 C ATOM 316 C ASP A 332 30.751 45.922 32.332 1.00 47.97 C ATOM 317 O ASP A 332 31.056 45.357 33.381 1.00 40.02 O ATOM 318 CB ASP A 332 31.255 43.746 31.206 1.00 56.12 C ATOM 319 H ASP A 332 30.576 46.130 29.116 1.00 0.00 H ATOM 320 N GLY A 333 30.517 47.230 32.261 1.00 47.55 N ATOM 321 CA GLY A 333 30.524 48.072 33.446 1.00 41.93 C ATOM 322 C GLY A 333 31.873 48.175 34.138 1.00 38.15 C ATOM 323 O GLY A 333 31.956 48.555 35.308 1.00 38.86 O ATOM 324 H GLY A 333 30.324 47.661 31.334 1.00 0.00 H ATOM 325 N GLU A 334 32.935 47.845 33.415 1.00 28.10 N ATOM 326 CA GLU A 334 34.278 47.888 33.977 1.00 29.00 C ATOM 327 C GLU A 334 34.713 49.323 34.267 1.00 27.05 C ATOM 328 O GLU A 334 35.616 49.544 35.071 1.00 25.63 O ATOM 329 CB GLU A 334 35.277 47.212 33.032 1.00 32.72 C ATOM 330 CG GLU A 334 35.542 47.950 31.719 1.00 32.56 C ATOM 331 CD GLU A 334 36.332 47.100 30.737 1.00 37.59 C ATOM 332 OE1 GLU A 334 36.424 47.474 29.543 1.00 36.30 O ATOM 333 OE2 GLU A 334 36.865 46.055 31.168 1.00 38.39 O ATOM 334 H GLU A 334 32.806 47.549 32.426 1.00 0.00 H ATOM 335 N GLY A 335 34.064 50.292 33.621 1.00 16.99 N ATOM 336 CA GLY A 335 34.423 51.695 33.786 1.00 14.92 C ATOM 337 C GLY A 335 35.085 52.312 32.570 1.00 15.70 C ATOM 338 O GLY A 335 35.553 51.603 31.682 1.00 15.04 O ATOM 339 H GLY A 335 33.282 50.040 32.983 1.00 0.00 H ATOM 340 N ILE A 336 35.104 53.644 32.542 1.00 12.29 N ATOM 341 CA ILE A 336 35.717 54.425 31.479 1.00 11.16 C ATOM 342 C ILE A 336 36.929 55.131 32.072 1.00 11.39 C ATOM 343 O ILE A 336 36.773 55.898 33.023 1.00 10.98 O ATOM 344 CB ILE A 336 34.721 55.459 30.892 1.00 13.15 C ATOM 345 CG1 ILE A 336 33.447 54.777 30.375 1.00 15.24 C ATOM 346 CG2 ILE A 336 35.395 56.314 29.813 1.00 12.98 C ATOM 347 CD1 ILE A 336 33.673 53.786 29.236 1.00 18.90 C ATOM 348 H ILE A 336 34.654 54.156 33.327 1.00 0.00 H ATOM 349 N PHE A 337 38.122 54.880 31.527 1.00 9.18 N ATOM 350 CA PHE A 337 39.371 55.433 32.063 1.00 9.30 C ATOM 351 C PHE A 337 40.130 56.278 31.043 1.00 8.83 C ATOM 352 O PHE A 337 40.093 56.003 29.842 1.00 9.96 O ATOM 353 CB PHE A 337 40.291 54.300 32.555 1.00 9.50 C ATOM 354 CG PHE A 337 39.649 53.409 33.562 1.00 9.55 C ATOM 355 CD1 PHE A 337 38.884 52.321 33.164 1.00 11.10 C ATOM 356 CD2 PHE A 337 39.781 53.667 34.917 1.00 12.26 C ATOM 357 CE1 PHE A 337 38.281 51.514 34.087 1.00 16.11 C ATOM 358 CE2 PHE A 337 39.166 52.852 35.851 1.00 17.54 C ATOM 359 CZ PHE A 337 38.418 51.782 35.438 1.00 15.08 C ATOM 360 H PHE A 337 38.168 54.267 30.688 1.00 0.00 H ATOM 361 N ILE A 338 40.827 57.300 31.532 1.00 8.35 N ATOM 362 CA ILE A 338 41.707 58.099 30.695 1.00 7.85 C ATOM 363 C ILE A 338 43.010 57.322 30.456 1.00 10.06 C ATOM 364 O ILE A 338 43.676 56.897 31.408 1.00 9.75 O ATOM 365 CB ILE A 338 41.991 59.475 31.331 1.00 9.63 C ATOM 366 CG1 ILE A 338 40.691 60.267 31.528 1.00 13.22 C ATOM 367 CG2 ILE A 338 43.009 60.256 30.484 1.00 11.03 C ATOM 368 CD1 ILE A 338 40.893 61.668 32.123 1.00 13.51 C ATOM 369 H ILE A 338 40.740 57.534 32.542 1.00 0.00 H ATOM 370 N SER A 339 43.362 57.124 29.189 1.00 9.88 N ATOM 371 CA SER A 339 44.568 56.379 28.829 1.00 9.78 C ATOM 372 C SER A 339 45.706 57.269 28.333 1.00 12.29 C ATOM 373 O SER A 339 46.852 56.827 28.250 1.00 12.73 O ATOM 374 CB SER A 339 44.248 55.357 27.748 1.00 14.31 C ATOM 375 OG SER A 339 43.717 56.022 26.609 1.00 13.26 O ATOM 376 HG SER A 339 43.509 55.356 25.907 1.00 0.00 H ATOM 377 H SER A 339 42.762 57.510 28.432 1.00 0.00 H ATOM 378 N PHE A 340 45.379 58.505 27.977 1.00 11.70 N ATOM 379 CA PHE A 340 46.308 59.386 27.261 1.00 11.02 C ATOM 380 C PHE A 340 45.776 60.803 27.298 1.00 13.42 C ATOM 381 O PHE A 340 44.601 61.033 27.012 1.00 12.09 O ATOM 382 CB PHE A 340 46.484 58.924 25.810 1.00 14.42 C ATOM 383 CG PHE A 340 47.339 59.834 24.964 1.00 10.22 C ATOM 384 CD1 PHE A 340 46.782 60.925 24.323 1.00 13.08 C ATOM 385 CD2 PHE A 340 48.689 59.577 24.771 1.00 12.01 C ATOM 386 CE1 PHE A 340 47.548 61.754 23.535 1.00 17.53 C ATOM 387 CE2 PHE A 340 49.465 60.414 23.976 1.00 13.58 C ATOM 388 CZ PHE A 340 48.893 61.495 23.359 1.00 16.72 C ATOM 389 H PHE A 340 44.431 58.861 28.214 1.00 0.00 H ATOM 390 N ILE A 341 46.639 61.748 27.646 1.00 11.13 N ATOM 391 CA ILE A 341 46.280 63.160 27.601 1.00 8.95 C ATOM 392 C ILE A 341 47.181 63.858 26.602 1.00 9.74 C ATOM 393 O ILE A 341 48.398 63.740 26.667 1.00 10.47 O ATOM 394 CB ILE A 341 46.359 63.790 28.993 1.00 9.63 C ATOM 395 CG1 ILE A 341 45.320 63.115 29.896 1.00 13.31 C ATOM 396 CG2 ILE A 341 46.129 65.293 28.928 1.00 11.81 C ATOM 397 CD1 ILE A 341 45.309 63.606 31.289 1.00 19.88 C ATOM 398 H ILE A 341 47.593 61.476 27.958 1.00 0.00 H ATOM 399 N LEU A 342 46.565 64.567 25.663 1.00 10.86 N ATOM 400 CA LEU A 342 47.292 65.225 24.587 1.00 11.77 C ATOM 401 C LEU A 342 47.978 66.484 25.085 1.00 11.04 C ATOM 402 O LEU A 342 47.340 67.364 25.657 1.00 11.32 O ATOM 403 CB LEU A 342 46.341 65.573 23.444 1.00 12.00 C ATOM 404 CG LEU A 342 46.945 66.344 22.273 1.00 15.71 C ATOM 405 CD1 LEU A 342 47.962 65.483 21.539 1.00 17.70 C ATOM 406 CD2 LEU A 342 45.849 66.784 21.344 1.00 19.52 C ATOM 407 H LEU A 342 45.529 64.655 25.698 1.00 0.00 H ATOM 408 N ALA A 343 49.284 66.568 24.852 1.00 11.01 N ATOM 409 CA ALA A 343 50.033 67.766 25.178 1.00 12.15 C ATOM 410 C ALA A 343 49.414 68.978 24.487 1.00 15.73 C ATOM 411 O ALA A 343 49.246 68.994 23.263 1.00 14.91 O ATOM 412 CB ALA A 343 51.501 67.605 24.770 1.00 12.97 C ATOM 413 H ALA A 343 49.779 65.758 24.427 1.00 0.00 H ATOM 414 N GLY A 344 49.056 69.982 25.280 1.00 12.84 N ATOM 415 CA GLY A 344 48.548 71.239 24.753 1.00 13.88 C ATOM 416 C GLY A 344 47.045 71.302 24.534 1.00 13.35 C ATOM 417 O GLY A 344 46.501 72.368 24.206 1.00 15.82 O ATOM 418 H GLY A 344 49.142 69.866 26.310 1.00 0.00 H ATOM 419 N GLY A 345 46.366 70.176 24.721 1.00 11.58 N ATOM 420 CA GLY A 345 44.926 70.124 24.538 1.00 14.77 C ATOM 421 C GLY A 345 44.181 70.661 25.749 1.00 15.93 C ATOM 422 O GLY A 345 44.793 70.920 26.778 1.00 13.46 O ATOM 423 H GLY A 345 46.875 69.315 25.004 1.00 0.00 H ATOM 424 N PRO A 346 42.858 70.850 25.630 1.00 12.99 N ATOM 425 CA PRO A 346 42.098 71.408 26.762 1.00 13.29 C ATOM 426 C PRO A 346 42.257 70.630 28.073 1.00 16.32 C ATOM 427 O PRO A 346 42.391 71.251 29.130 1.00 17.72 O ATOM 428 CB PRO A 346 40.654 71.362 26.252 1.00 16.68 C ATOM 429 CG PRO A 346 40.796 71.540 24.774 1.00 15.26 C ATOM 430 CD PRO A 346 42.025 70.729 24.419 1.00 14.77 C ATOM 431 N ALA A 347 42.235 69.302 28.016 1.00 12.54 N ATOM 432 CA ALA A 347 42.397 68.489 29.227 1.00 11.57 C ATOM 433 C ALA A 347 43.768 68.722 29.872 1.00 14.53 C ATOM 434 O ALA A 347 43.878 68.835 31.091 1.00 16.23 O ATOM 435 CB ALA A 347 42.202 67.034 28.914 1.00 12.32 C ATOM 436 H ALA A 347 42.101 68.832 27.098 1.00 0.00 H ATOM 437 N ASP A 348 44.814 68.799 29.061 1.00 13.17 N ATOM 438 CA ASP A 348 46.142 69.126 29.575 1.00 14.83 C ATOM 439 C ASP A 348 46.152 70.506 30.224 1.00 14.72 C ATOM 440 O ASP A 348 46.678 70.687 31.328 1.00 18.59 O ATOM 441 CB ASP A 348 47.176 69.067 28.454 1.00 10.50 C ATOM 442 CG ASP A 348 48.594 69.361 28.939 1.00 12.59 C ATOM 443 OD1 ASP A 348 48.886 69.140 30.135 1.00 16.43 O ATOM 444 OD2 ASP A 348 49.411 69.807 28.115 1.00 14.48 O ATOM 445 H ASP A 348 44.687 68.624 28.044 1.00 0.00 H ATOM 446 N LEU A 349 45.566 71.482 29.548 1.00 15.42 N ATOM 447 CA LEU A 349 45.608 72.849 30.047 1.00 17.09 C ATOM 448 C LEU A 349 44.871 72.957 31.388 1.00 24.14 C ATOM 449 O LEU A 349 45.182 73.834 32.190 1.00 26.31 O ATOM 450 CB LEU A 349 45.037 73.811 29.006 1.00 18.96 C ATOM 451 CG LEU A 349 45.836 73.902 27.694 1.00 26.49 C ATOM 452 CD1 LEU A 349 45.393 75.081 26.855 1.00 30.15 C ATOM 453 CD2 LEU A 349 47.327 73.987 27.927 1.00 23.93 C ATOM 454 H LEU A 349 45.074 71.271 28.657 1.00 0.00 H ATOM 455 N SER A 350 43.921 72.060 31.646 1.00 25.46 N ATOM 456 CA SER A 350 43.222 72.055 32.934 1.00 24.59 C ATOM 457 C SER A 350 44.183 71.700 34.060 1.00 26.85 C ATOM 458 O SER A 350 44.074 72.230 35.170 1.00 27.68 O ATOM 459 CB SER A 350 42.051 71.066 32.940 1.00 17.53 C ATOM 460 OG SER A 350 42.485 69.745 33.250 1.00 17.23 O ATOM 461 HG SER A 350 43.143 69.448 32.573 1.00 0.00 H ATOM 462 H SER A 350 43.672 71.354 30.924 1.00 0.00 H ATOM 463 N GLY A 351 45.112 70.792 33.771 1.00 22.58 N ATOM 464 CA GLY A 351 46.100 70.365 34.747 1.00 22.13 C ATOM 465 C GLY A 351 45.528 69.504 35.867 1.00 23.48 C ATOM 466 O GLY A 351 46.191 69.278 36.879 1.00 27.92 O ATOM 467 H GLY A 351 45.131 70.376 32.818 1.00 0.00 H ATOM 468 N GLU A 352 44.308 69.007 35.685 1.00 17.57 N ATOM 469 CA GLU A 352 43.610 68.323 36.768 1.00 14.56 C ATOM 470 C GLU A 352 43.108 66.931 36.405 1.00 14.54 C ATOM 471 O GLU A 352 42.326 66.339 37.145 1.00 17.51 O ATOM 472 CB GLU A 352 42.435 69.166 37.234 1.00 16.89 C ATOM 473 CG GLU A 352 42.837 70.535 37.757 1.00 22.79 C ATOM 474 CD GLU A 352 41.684 71.527 37.761 1.00 42.41 C ATOM 475 OE1 GLU A 352 41.928 72.721 37.475 1.00 49.97 O ATOM 476 OE2 GLU A 352 40.540 71.119 38.057 1.00 33.35 O ATOM 477 H GLU A 352 43.846 69.107 34.759 1.00 0.00 H ATOM 478 N LEU A 353 43.530 66.427 35.252 1.00 11.84 N ATOM 479 CA LEU A 353 43.236 65.050 34.860 1.00 10.46 C ATOM 480 C LEU A 353 44.536 64.328 34.583 1.00 12.45 C ATOM 481 O LEU A 353 45.518 64.942 34.180 1.00 14.79 O ATOM 482 CB LEU A 353 42.347 64.995 33.616 1.00 12.07 C ATOM 483 CG LEU A 353 40.931 65.537 33.755 1.00 13.08 C ATOM 484 CD1 LEU A 353 40.285 65.691 32.386 1.00 15.40 C ATOM 485 CD2 LEU A 353 40.107 64.641 34.649 1.00 13.74 C ATOM 486 H LEU A 353 44.085 67.028 34.610 1.00 0.00 H ATOM 487 N ARG A 354 44.537 63.013 34.775 1.00 10.73 N ATOM 488 CA ARG A 354 45.715 62.215 34.460 1.00 12.45 C ATOM 489 C ARG A 354 45.347 60.818 33.961 1.00 8.78 C ATOM 490 O ARG A 354 44.235 60.330 34.178 1.00 8.06 O ATOM 491 CB ARG A 354 46.626 62.107 35.684 1.00 18.42 C ATOM 492 CG ARG A 354 46.120 61.197 36.781 1.00 21.50 C ATOM 493 CD ARG A 354 47.125 61.136 37.933 1.00 26.14 C ATOM 494 NE ARG A 354 47.089 62.336 38.772 1.00 29.29 N ATOM 495 CZ ARG A 354 48.163 62.996 39.207 1.00 28.91 C ATOM 496 NH1 ARG A 354 49.391 62.595 38.888 1.00 29.37 N ATOM 497 NH2 ARG A 354 48.006 64.074 39.964 1.00 24.08 N ATOM 498 HE ARG A 354 46.155 62.701 39.049 1.00 0.00 H ATOM 499 HH12 ARG A 354 50.217 63.122 39.236 1.00 0.00 H ATOM 500 HH11 ARG A 354 49.525 61.754 38.290 1.00 0.00 H ATOM 501 HH22 ARG A 354 48.839 64.594 40.307 1.00 0.00 H ATOM 502 HH21 ARG A 354 47.050 64.399 40.214 1.00 0.00 H ATOM 503 H ARG A 354 43.688 62.548 35.154 1.00 0.00 H ATOM 504 N LYS A 355 46.289 60.174 33.281 1.00 10.15 N ATOM 505 CA LYS A 355 46.102 58.783 32.889 1.00 10.40 C ATOM 506 C LYS A 355 45.813 57.959 34.132 1.00 9.35 C ATOM 507 O LYS A 355 46.492 58.102 35.151 1.00 9.85 O ATOM 508 CB LYS A 355 47.338 58.234 32.169 1.00 12.33 C ATOM 509 CG LYS A 355 47.171 56.794 31.722 1.00 12.90 C ATOM 510 CD LYS A 355 48.382 56.260 30.974 1.00 14.54 C ATOM 511 CE LYS A 355 49.498 55.864 31.920 1.00 10.93 C ATOM 512 NZ LYS A 355 50.660 55.269 31.192 1.00 12.47 N ATOM 513 HZ1 LYS A 355 50.349 54.419 30.680 1.00 0.00 H ATOM 514 HZ2 LYS A 355 51.036 55.964 30.516 1.00 0.00 H ATOM 515 HZ3 LYS A 355 51.401 55.012 31.875 1.00 0.00 H ATOM 516 H LYS A 355 47.168 60.667 33.026 1.00 0.00 H ATOM 517 N GLY A 356 44.802 57.103 34.043 1.00 8.55 N ATOM 518 CA GLY A 356 44.389 56.275 35.167 1.00 10.31 C ATOM 519 C GLY A 356 43.181 56.796 35.925 1.00 9.65 C ATOM 520 O GLY A 356 42.611 56.091 36.767 1.00 9.64 O ATOM 521 H GLY A 356 44.289 57.021 33.142 1.00 0.00 H ATOM 522 N ASP A 357 42.786 58.028 35.630 1.00 7.70 N ATOM 523 CA ASP A 357 41.532 58.566 36.127 1.00 6.65 C ATOM 524 C ASP A 357 40.343 57.838 35.519 1.00 10.09 C ATOM 525 O ASP A 357 40.278 57.649 34.303 1.00 9.92 O ATOM 526 CB ASP A 357 41.406 60.058 35.811 1.00 7.23 C ATOM 527 CG ASP A 357 42.113 60.952 36.815 1.00 12.35 C ATOM 528 OD1 ASP A 357 42.379 60.531 37.966 1.00 9.34 O ATOM 529 OD2 ASP A 357 42.390 62.114 36.447 1.00 10.89 O ATOM 530 H ASP A 357 43.390 58.623 35.028 1.00 0.00 H ATOM 531 N GLN A 358 39.394 57.448 36.362 1.00 7.08 N ATOM 532 CA GLN A 358 38.097 56.988 35.890 1.00 6.61 C ATOM 533 C GLN A 358 37.167 58.187 35.746 1.00 8.11 C ATOM 534 O GLN A 358 37.092 59.034 36.634 1.00 9.64 O ATOM 535 CB GLN A 358 37.479 55.966 36.843 1.00 9.22 C ATOM 536 CG GLN A 358 36.192 55.355 36.300 1.00 10.64 C ATOM 537 CD GLN A 358 35.509 54.394 37.260 1.00 10.17 C ATOM 538 OE1 GLN A 358 36.042 54.052 38.318 1.00 13.40 O ATOM 539 NE2 GLN A 358 34.322 53.940 36.880 1.00 13.17 N ATOM 540 HE22 GLN A 358 33.909 54.255 35.979 1.00 0.00 H ATOM 541 HE21 GLN A 358 33.804 53.269 37.483 1.00 0.00 H ATOM 542 H GLN A 358 39.583 57.472 37.384 1.00 0.00 H ATOM 543 N ILE A 359 36.471 58.252 34.617 1.00 8.53 N ATOM 544 CA ILE A 359 35.447 59.263 34.408 1.00 9.80 C ATOM 545 C ILE A 359 34.158 58.762 35.046 1.00 9.62 C ATOM 546 O ILE A 359 33.525 57.858 34.518 1.00 12.19 O ATOM 547 CB ILE A 359 35.231 59.563 32.916 1.00 8.71 C ATOM 548 CG1 ILE A 359 36.551 59.929 32.226 1.00 10.78 C ATOM 549 CG2 ILE A 359 34.214 60.675 32.745 1.00 11.31 C ATOM 550 CD1 ILE A 359 37.240 61.156 32.788 1.00 13.22 C ATOM 551 H ILE A 359 36.663 57.562 33.863 1.00 0.00 H ATOM 552 N LEU A 360 33.767 59.347 36.173 1.00 9.88 N ATOM 553 CA LEU A 360 32.543 58.931 36.848 1.00 10.27 C ATOM 554 C LEU A 360 31.313 59.550 36.217 1.00 9.20 C ATOM 555 O LEU A 360 30.264 58.918 36.171 1.00 12.47 O ATOM 556 CB LEU A 360 32.580 59.302 38.330 1.00 11.89 C ATOM 557 CG LEU A 360 33.797 58.780 39.095 1.00 11.06 C ATOM 558 CD1 LEU A 360 33.667 59.131 40.576 1.00 11.31 C ATOM 559 CD2 LEU A 360 33.996 57.288 38.895 1.00 14.39 C ATOM 560 H LEU A 360 34.342 60.112 36.580 1.00 0.00 H ATOM 561 N SER A 361 31.427 60.790 35.758 1.00 10.26 N ATOM 562 CA SER A 361 30.291 61.455 35.121 1.00 11.28 C ATOM 563 C SER A 361 30.716 62.642 34.275 1.00 13.43 C ATOM 564 O SER A 361 31.804 63.187 34.460 1.00 12.32 O ATOM 565 CB SER A 361 29.287 61.913 36.176 1.00 13.30 C ATOM 566 OG SER A 361 29.805 62.964 36.981 1.00 12.56 O ATOM 567 HG SER A 361 30.027 63.739 36.407 1.00 0.00 H ATOM 568 H SER A 361 32.332 61.293 35.852 1.00 0.00 H ATOM 569 N VAL A 362 29.865 63.022 33.325 1.00 13.62 N ATOM 570 CA VAL A 362 30.079 64.233 32.529 1.00 13.17 C ATOM 571 C VAL A 362 28.779 65.030 32.516 1.00 13.26 C ATOM 572 O VAL A 362 27.726 64.514 32.133 1.00 16.49 O ATOM 573 CB VAL A 362 30.568 63.915 31.083 1.00 16.05 C ATOM 574 CG1 VAL A 362 29.541 63.118 30.300 1.00 16.51 C ATOM 575 CG2 VAL A 362 30.912 65.203 30.340 1.00 20.21 C ATOM 576 H VAL A 362 29.022 62.441 33.142 1.00 0.00 H ATOM 577 N ASN A 363 28.858 66.286 32.956 1.00 13.71 N ATOM 578 CA ASN A 363 27.695 67.166 33.044 1.00 13.64 C ATOM 579 C ASN A 363 26.516 66.474 33.748 1.00 17.68 C ATOM 580 O ASN A 363 25.361 66.617 33.350 1.00 18.92 O ATOM 581 CB ASN A 363 27.296 67.652 31.649 1.00 17.79 C ATOM 582 CG ASN A 363 28.344 68.544 31.038 1.00 20.99 C ATOM 583 OD1 ASN A 363 29.323 68.893 31.694 1.00 20.50 O ATOM 584 ND2 ASN A 363 28.147 68.929 29.779 1.00 24.05 N ATOM 585 HD22 ASN A 363 27.303 68.608 29.263 1.00 0.00 H ATOM 586 HD21 ASN A 363 28.837 69.551 29.311 1.00 0.00 H ATOM 587 H ASN A 363 29.785 66.655 33.249 1.00 0.00 H ATOM 588 N GLY A 364 26.820 65.731 34.806 1.00 16.98 N ATOM 589 CA GLY A 364 25.789 65.101 35.615 1.00 20.64 C ATOM 590 C GLY A 364 25.354 63.729 35.124 1.00 20.25 C ATOM 591 O GLY A 364 24.598 63.025 35.802 1.00 24.95 O ATOM 592 H GLY A 364 27.819 65.597 35.062 1.00 0.00 H ATOM 593 N VAL A 365 25.826 63.352 33.942 1.00 17.08 N ATOM 594 CA VAL A 365 25.515 62.046 33.364 1.00 20.64 C ATOM 595 C VAL A 365 26.489 60.981 33.881 1.00 18.43 C ATOM 596 O VAL A 365 27.686 61.013 33.568 1.00 17.22 O ATOM 597 CB VAL A 365 25.546 62.113 31.828 1.00 23.22 C ATOM 598 CG1 VAL A 365 25.262 60.742 31.218 1.00 29.79 C ATOM 599 CG2 VAL A 365 24.542 63.156 31.319 1.00 26.50 C ATOM 600 H VAL A 365 26.436 64.006 33.411 1.00 0.00 H ATOM 601 N ASP A 366 25.961 60.049 34.672 1.00 18.40 N ATOM 602 CA ASP A 366 26.727 58.954 35.272 1.00 17.77 C ATOM 603 C ASP A 366 27.308 58.041 34.181 1.00 18.97 C ATOM 604 O ASP A 366 26.569 57.468 33.370 1.00 16.50 O ATOM 605 CB ASP A 366 25.805 58.180 36.238 1.00 16.43 C ATOM 606 CG ASP A 366 26.469 56.983 36.910 1.00 14.00 C ATOM 607 OD1 ASP A 366 27.704 56.817 36.868 1.00 16.49 O ATOM 608 OD2 ASP A 366 25.712 56.183 37.511 1.00 19.97 O ATOM 609 H ASP A 366 24.943 60.102 34.876 1.00 0.00 H ATOM 610 N LEU A 367 28.632 57.915 34.160 1.00 13.57 N ATOM 611 CA LEU A 367 29.299 57.069 33.173 1.00 11.45 C ATOM 612 C LEU A 367 30.003 55.875 33.799 1.00 15.25 C ATOM 613 O LEU A 367 30.745 55.174 33.124 1.00 13.11 O ATOM 614 CB LEU A 367 30.322 57.876 32.363 1.00 12.36 C ATOM 615 CG LEU A 367 29.817 59.053 31.523 1.00 15.56 C ATOM 616 CD1 LEU A 367 30.974 59.665 30.767 1.00 18.96 C ATOM 617 CD2 LEU A 367 28.711 58.641 30.552 1.00 14.41 C ATOM 618 H LEU A 367 29.204 58.429 34.860 1.00 0.00 H ATOM 619 N ARG A 368 29.780 55.630 35.083 1.00 14.91 N ATOM 620 CA ARG A 368 30.448 54.512 35.741 1.00 14.49 C ATOM 621 C ARG A 368 30.216 53.199 35.004 1.00 16.21 C ATOM 622 O ARG A 368 31.116 52.366 34.929 1.00 19.78 O ATOM 623 CB ARG A 368 29.980 54.401 37.189 1.00 12.92 C ATOM 624 CG ARG A 368 30.535 55.511 38.079 1.00 11.79 C ATOM 625 CD ARG A 368 29.915 55.465 39.461 1.00 13.94 C ATOM 626 NE ARG A 368 28.461 55.467 39.364 1.00 14.18 N ATOM 627 CZ ARG A 368 27.637 54.819 40.181 1.00 13.10 C ATOM 628 NH1 ARG A 368 28.103 54.112 41.199 1.00 13.58 N ATOM 629 NH2 ARG A 368 26.335 54.889 39.971 1.00 17.30 N ATOM 630 HE ARG A 368 28.034 56.020 38.594 1.00 0.00 H ATOM 631 HH12 ARG A 368 27.444 53.611 41.829 1.00 0.00 H ATOM 632 HH11 ARG A 368 29.128 54.058 41.369 1.00 0.00 H ATOM 633 HH22 ARG A 368 25.679 54.387 40.602 1.00 0.00 H ATOM 634 HH21 ARG A 368 25.966 55.446 39.174 1.00 0.00 H ATOM 635 H ARG A 368 29.128 56.235 35.622 1.00 0.00 H ATOM 636 N ASN A 369 29.025 53.027 34.436 1.00 13.57 N ATOM 637 CA ASN A 369 28.672 51.778 33.774 1.00 14.90 C ATOM 638 C ASN A 369 28.423 51.960 32.284 1.00 15.79 C ATOM 639 O ASN A 369 27.726 51.171 31.656 1.00 18.37 O ATOM 640 CB ASN A 369 27.454 51.178 34.476 1.00 19.86 C ATOM 641 CG ASN A 369 27.741 50.879 35.942 1.00 25.99 C ATOM 642 OD1 ASN A 369 27.263 51.573 36.847 1.00 30.00 O ATOM 643 ND2 ASN A 369 28.563 49.865 36.178 1.00 23.81 N ATOM 644 HD22 ASN A 369 28.942 49.308 35.386 1.00 0.00 H ATOM 645 HD21 ASN A 369 28.829 49.627 37.155 1.00 0.00 H ATOM 646 H ASN A 369 28.331 53.801 34.465 1.00 0.00 H ATOM 647 N ALA A 370 29.022 52.996 31.717 1.00 15.76 N ATOM 648 CA ALA A 370 28.836 53.321 30.312 1.00 15.61 C ATOM 649 C ALA A 370 29.597 52.377 29.384 1.00 18.14 C ATOM 650 O ALA A 370 30.607 51.794 29.770 1.00 16.16 O ATOM 651 CB ALA A 370 29.279 54.752 30.052 1.00 12.05 C ATOM 652 H ALA A 370 29.645 53.596 32.295 1.00 0.00 H ATOM 653 N SER A 371 29.108 52.238 28.157 1.00 19.01 N ATOM 654 CA SER A 371 29.900 51.641 27.091 1.00 20.97 C ATOM 655 C SER A 371 30.875 52.673 26.546 1.00 21.67 C ATOM 656 O SER A 371 30.678 53.878 26.711 1.00 18.30 O ATOM 657 CB SER A 371 29.013 51.127 25.962 1.00 28.47 C ATOM 658 OG SER A 371 28.321 52.200 25.342 1.00 28.73 O ATOM 659 HG SER A 371 27.752 51.847 24.613 1.00 0.00 H ATOM 660 H SER A 371 28.141 52.562 27.954 1.00 0.00 H ATOM 661 N ALA A 372 31.917 52.199 25.875 1.00 22.72 N ATOM 662 CA ALA A 372 32.935 53.090 25.339 1.00 25.74 C ATOM 663 C ALA A 372 32.355 54.044 24.289 1.00 20.26 C ATOM 664 O ALA A 372 32.697 55.224 24.287 1.00 20.40 O ATOM 665 CB ALA A 372 34.077 52.286 24.751 1.00 33.68 C ATOM 666 H ALA A 372 32.008 51.173 25.730 1.00 0.00 H ATOM 667 N GLU A 373 31.476 53.557 23.409 1.00 25.81 N ATOM 668 CA GLU A 373 30.932 54.436 22.371 1.00 25.11 C ATOM 669 C GLU A 373 30.001 55.490 22.953 1.00 18.93 C ATOM 670 O GLU A 373 30.078 56.656 22.562 1.00 23.69 O ATOM 671 CB GLU A 373 30.182 53.662 21.284 1.00 33.32 C ATOM 672 CG GLU A 373 29.648 54.608 20.194 1.00 44.93 C ATOM 673 CD GLU A 373 28.907 53.907 19.071 1.00 60.21 C ATOM 674 OE1 GLU A 373 28.699 54.549 18.019 1.00 58.23 O ATOM 675 OE2 GLU A 373 28.524 52.730 19.238 1.00 69.23 O ATOM 676 H GLU A 373 31.180 52.561 23.460 1.00 0.00 H ATOM 677 N GLN A 374 29.111 55.104 23.866 1.00 20.13 N ATOM 678 CA GLN A 374 28.176 56.080 24.421 1.00 21.35 C ATOM 679 C GLN A 374 28.924 57.061 25.308 1.00 15.88 C ATOM 680 O GLN A 374 28.552 58.228 25.382 1.00 18.01 O ATOM 681 CB GLN A 374 27.047 55.418 25.219 1.00 26.43 C ATOM 682 CG GLN A 374 25.923 54.802 24.394 1.00 29.36 C ATOM 683 CD GLN A 374 25.287 55.750 23.384 1.00 30.60 C ATOM 684 OE1 GLN A 374 24.899 56.878 23.704 1.00 24.76 O ATOM 685 NE2 GLN A 374 25.163 55.282 22.155 1.00 28.50 N ATOM 686 HE22 GLN A 374 25.503 54.326 21.926 1.00 0.00 H ATOM 687 HE21 GLN A 374 24.726 55.869 21.417 1.00 0.00 H ATOM 688 H GLN A 374 29.082 54.114 24.182 1.00 0.00 H ATOM 689 N ALA A 375 29.967 56.594 25.996 1.00 16.77 N ATOM 690 CA ALA A 375 30.813 57.490 26.779 1.00 15.91 C ATOM 691 C ALA A 375 31.408 58.563 25.875 1.00 16.08 C ATOM 692 O ALA A 375 31.419 59.751 26.209 1.00 15.37 O ATOM 693 CB ALA A 375 31.925 56.713 27.478 1.00 16.05 C ATOM 694 H ALA A 375 30.181 55.576 25.974 1.00 0.00 H ATOM 695 N ALA A 376 31.908 58.131 24.729 1.00 15.29 N ATOM 696 CA ALA A 376 32.554 59.045 23.798 1.00 14.76 C ATOM 697 C ALA A 376 31.535 60.035 23.260 1.00 14.31 C ATOM 698 O ALA A 376 31.816 61.222 23.131 1.00 19.13 O ATOM 699 CB ALA A 376 33.205 58.278 22.684 1.00 15.81 C ATOM 700 H ALA A 376 31.838 57.121 24.489 1.00 0.00 H ATOM 701 N ILE A 377 30.336 59.547 22.961 1.00 19.26 N ATOM 702 CA ILE A 377 29.268 60.408 22.478 1.00 16.82 C ATOM 703 C ILE A 377 28.940 61.444 23.543 1.00 17.17 C ATOM 704 O ILE A 377 28.792 62.631 23.239 1.00 20.56 O ATOM 705 CB ILE A 377 28.025 59.576 22.096 1.00 22.36 C ATOM 706 CG1 ILE A 377 28.310 58.782 20.823 1.00 27.61 C ATOM 707 CG2 ILE A 377 26.791 60.468 21.912 1.00 28.73 C ATOM 708 CD1 ILE A 377 27.285 57.715 20.527 1.00 32.85 C ATOM 709 H ILE A 377 30.158 58.529 23.075 1.00 0.00 H ATOM 710 N ALA A 378 28.828 60.990 24.791 1.00 17.91 N ATOM 711 CA ALA A 378 28.513 61.872 25.903 1.00 18.01 C ATOM 712 C ALA A 378 29.541 62.982 26.032 1.00 16.61 C ATOM 713 O ALA A 378 29.191 64.148 26.224 1.00 19.83 O ATOM 714 CB ALA A 378 28.436 61.090 27.190 1.00 21.03 C ATOM 715 H ALA A 378 28.970 59.976 24.975 1.00 0.00 H ATOM 716 N LEU A 379 30.813 62.612 25.922 1.00 14.08 N ATOM 717 CA LEU A 379 31.902 63.567 26.023 1.00 13.45 C ATOM 718 C LEU A 379 31.941 64.524 24.835 1.00 13.34 C ATOM 719 O LEU A 379 32.066 65.728 25.017 1.00 17.48 O ATOM 720 CB LEU A 379 33.230 62.824 26.155 1.00 13.28 C ATOM 721 CG LEU A 379 33.411 62.162 27.526 1.00 14.15 C ATOM 722 CD1 LEU A 379 34.459 61.073 27.506 1.00 14.21 C ATOM 723 CD2 LEU A 379 33.793 63.205 28.566 1.00 14.44 C ATOM 724 H LEU A 379 31.035 61.609 25.759 1.00 0.00 H ATOM 725 N LYS A 380 31.838 63.989 23.626 1.00 14.36 N ATOM 726 CA LYS A 380 31.901 64.813 22.424 1.00 16.55 C ATOM 727 C LYS A 380 30.722 65.788 22.319 1.00 16.43 C ATOM 728 O LYS A 380 30.847 66.859 21.722 1.00 21.00 O ATOM 729 CB LYS A 380 31.944 63.925 21.183 1.00 18.66 C ATOM 730 CG LYS A 380 33.251 63.186 21.007 1.00 19.08 C ATOM 731 CD LYS A 380 33.211 62.287 19.807 1.00 24.85 C ATOM 732 CE LYS A 380 34.580 61.741 19.496 1.00 30.93 C ATOM 733 NZ LYS A 380 34.529 60.878 18.289 1.00 33.01 N ATOM 734 HZ1 LYS A 380 33.877 60.085 18.458 1.00 0.00 H ATOM 735 HZ2 LYS A 380 34.194 61.437 17.479 1.00 0.00 H ATOM 736 HZ3 LYS A 380 35.480 60.509 18.088 1.00 0.00 H ATOM 737 H LYS A 380 31.710 62.961 23.533 1.00 0.00 H ATOM 738 N ASN A 381 29.580 65.419 22.898 1.00 17.72 N ATOM 739 CA ASN A 381 28.379 66.251 22.814 1.00 22.17 C ATOM 740 C ASN A 381 28.062 67.004 24.109 1.00 19.89 C ATOM 741 O ASN A 381 26.928 67.447 24.311 1.00 24.00 O ATOM 742 CB ASN A 381 27.181 65.385 22.427 1.00 24.19 C ATOM 743 CG ASN A 381 27.256 64.904 20.995 1.00 36.78 C ATOM 744 OD1 ASN A 381 27.606 63.754 20.729 1.00 43.12 O ATOM 745 ND2 ASN A 381 26.935 65.793 20.058 1.00 46.63 N ATOM 746 HD22 ASN A 381 26.645 66.754 20.330 1.00 0.00 H ATOM 747 HD21 ASN A 381 26.974 65.527 19.053 1.00 0.00 H ATOM 748 H ASN A 381 29.541 64.521 23.421 1.00 0.00 H ATOM 749 N ALA A 382 29.049 67.154 24.986 1.00 20.11 N ATOM 750 CA ALA A 382 28.800 67.711 26.313 1.00 21.96 C ATOM 751 C ALA A 382 28.717 69.230 26.285 1.00 24.76 C ATOM 752 O ALA A 382 28.363 69.856 27.282 1.00 27.91 O ATOM 753 CB ALA A 382 29.881 67.268 27.293 1.00 20.59 C ATOM 754 H ALA A 382 30.014 66.870 24.723 1.00 0.00 H ATOM 755 N GLY A 383 29.041 69.827 25.147 1.00 25.57 N ATOM 756 CA GLY A 383 28.958 71.266 25.019 1.00 25.65 C ATOM 757 C GLY A 383 30.289 71.923 25.282 1.00 24.81 C ATOM 758 O GLY A 383 31.300 71.246 25.458 1.00 22.13 O ATOM 759 H GLY A 383 29.358 69.256 24.338 1.00 0.00 H ATOM 760 N GLN A 384 30.289 73.250 25.317 1.00 24.66 N ATOM 761 CA GLN A 384 31.534 74.000 25.390 1.00 22.07 C ATOM 762 C GLN A 384 32.135 73.931 26.791 1.00 22.80 C ATOM 763 O GLN A 384 33.353 73.934 26.949 1.00 25.74 O ATOM 764 CB GLN A 384 31.289 75.448 24.961 1.00 26.14 C ATOM 765 CG GLN A 384 30.628 75.544 23.589 1.00 29.25 C ATOM 766 CD GLN A 384 29.985 76.894 23.333 1.00 35.38 C ATOM 767 OE1 GLN A 384 30.639 77.825 22.865 1.00 40.77 O ATOM 768 NE2 GLN A 384 28.690 77.004 23.634 1.00 33.12 N ATOM 769 HE22 GLN A 384 28.177 76.190 24.028 1.00 0.00 H ATOM 770 HE21 GLN A 384 28.194 77.904 23.475 1.00 0.00 H ATOM 771 H GLN A 384 29.384 73.762 25.292 1.00 0.00 H ATOM 772 N THR A 385 31.273 73.850 27.801 1.00 21.69 N ATOM 773 CA THR A 385 31.719 73.691 29.183 1.00 21.23 C ATOM 774 C THR A 385 31.465 72.273 29.654 1.00 19.54 C ATOM 775 O THR A 385 30.324 71.823 29.716 1.00 21.41 O ATOM 776 CB THR A 385 31.008 74.663 30.136 1.00 24.29 C ATOM 777 OG1 THR A 385 31.169 76.004 29.660 1.00 25.92 O ATOM 778 CG2 THR A 385 31.587 74.553 31.543 1.00 28.52 C ATOM 779 HG1 THR A 385 32.133 76.226 29.621 1.00 0.00 H ATOM 780 H THR A 385 30.254 73.901 27.601 1.00 0.00 H ATOM 781 N VAL A 386 32.537 71.572 30.005 1.00 15.95 N ATOM 782 CA VAL A 386 32.444 70.151 30.298 1.00 15.46 C ATOM 783 C VAL A 386 32.827 69.904 31.751 1.00 16.58 C ATOM 784 O VAL A 386 33.971 70.116 32.142 1.00 17.33 O ATOM 785 CB VAL A 386 33.330 69.352 29.328 1.00 16.51 C ATOM 786 CG1 VAL A 386 33.169 67.856 29.557 1.00 19.57 C ATOM 787 CG2 VAL A 386 32.986 69.729 27.888 1.00 17.09 C ATOM 788 H VAL A 386 33.459 72.048 30.071 1.00 0.00 H ATOM 789 N THR A 387 31.857 69.466 32.549 1.00 14.12 N ATOM 790 CA THR A 387 32.084 69.223 33.969 1.00 13.66 C ATOM 791 C THR A 387 32.243 67.731 34.216 1.00 15.97 C ATOM 792 O THR A 387 31.284 66.964 34.133 1.00 14.79 O ATOM 793 CB THR A 387 30.943 69.774 34.838 1.00 18.87 C ATOM 794 OG1 THR A 387 30.847 71.192 34.655 1.00 17.78 O ATOM 795 CG2 THR A 387 31.192 69.473 36.321 1.00 18.68 C ATOM 796 HG1 THR A 387 30.662 71.389 33.702 1.00 0.00 H ATOM 797 H THR A 387 30.912 69.292 32.150 1.00 0.00 H ATOM 798 N ILE A 388 33.473 67.345 34.516 1.00 11.58 N ATOM 799 CA ILE A 388 33.831 65.952 34.735 1.00 10.64 C ATOM 800 C ILE A 388 34.033 65.685 36.216 1.00 13.16 C ATOM 801 O ILE A 388 34.696 66.465 36.909 1.00 13.38 O ATOM 802 CB ILE A 388 35.104 65.597 33.941 1.00 11.65 C ATOM 803 CG1 ILE A 388 34.804 65.606 32.443 1.00 13.55 C ATOM 804 CG2 ILE A 388 35.657 64.242 34.359 1.00 14.31 C ATOM 805 CD1 ILE A 388 36.038 65.586 31.574 1.00 16.99 C ATOM 806 H ILE A 388 34.215 68.069 34.599 1.00 0.00 H ATOM 807 N ILE A 389 33.439 64.601 36.707 1.00 10.51 N ATOM 808 CA ILE A 389 33.816 64.047 37.999 1.00 10.28 C ATOM 809 C ILE A 389 34.739 62.893 37.673 1.00 11.79 C ATOM 810 O ILE A 389 34.367 62.001 36.909 1.00 9.33 O ATOM 811 CB ILE A 389 32.612 63.578 38.835 1.00 11.93 C ATOM 812 CG1 ILE A 389 31.559 64.684 38.953 1.00 15.30 C ATOM 813 CG2 ILE A 389 33.076 63.123 40.216 1.00 11.23 C ATOM 814 CD1 ILE A 389 32.061 65.957 39.591 1.00 16.62 C ATOM 815 H ILE A 389 32.688 64.139 36.155 1.00 0.00 H ATOM 816 N ALA A 390 35.951 62.927 38.222 1.00 11.08 N ATOM 817 CA ALA A 390 36.947 61.890 37.962 1.00 9.31 C ATOM 818 C ALA A 390 37.469 61.344 39.272 1.00 8.09 C ATOM 819 O ALA A 390 37.443 62.026 40.296 1.00 9.09 O ATOM 820 CB ALA A 390 38.097 62.442 37.135 1.00 11.88 C ATOM 821 H ALA A 390 36.196 63.715 38.855 1.00 0.00 H ATOM 822 N GLN A 391 37.931 60.103 39.232 1.00 8.74 N ATOM 823 CA GLN A 391 38.496 59.456 40.396 1.00 8.39 C ATOM 824 C GLN A 391 39.660 58.589 39.951 1.00 9.42 C ATOM 825 O GLN A 391 39.515 57.762 39.050 1.00 9.86 O ATOM 826 CB GLN A 391 37.441 58.622 41.109 1.00 8.91 C ATOM 827 CG GLN A 391 37.944 57.994 42.386 1.00 12.86 C ATOM 828 CD GLN A 391 36.834 57.455 43.243 1.00 15.43 C ATOM 829 OE1 GLN A 391 35.784 57.037 42.743 1.00 15.52 O ATOM 830 NE2 GLN A 391 37.049 57.470 44.552 1.00 16.05 N ATOM 831 HE22 GLN A 391 37.949 57.831 44.927 1.00 0.00 H ATOM 832 HE21 GLN A 391 36.317 57.120 45.203 1.00 0.00 H ATOM 833 H GLN A 391 37.886 59.577 38.336 1.00 0.00 H ATOM 834 N TYR A 392 40.809 58.775 40.591 1.00 8.29 N ATOM 835 CA TYR A 392 42.030 58.075 40.219 1.00 8.52 C ATOM 836 C TYR A 392 41.967 56.605 40.647 1.00 10.18 C ATOM 837 O TYR A 392 41.841 56.297 41.840 1.00 8.83 O ATOM 838 CB TYR A 392 43.224 58.791 40.847 1.00 9.87 C ATOM 839 CG TYR A 392 44.574 58.278 40.404 1.00 7.99 C ATOM 840 CD1 TYR A 392 44.927 58.243 39.063 1.00 11.85 C ATOM 841 CD2 TYR A 392 45.506 57.846 41.338 1.00 11.00 C ATOM 842 CE1 TYR A 392 46.169 57.779 38.669 1.00 11.60 C ATOM 843 CE2 TYR A 392 46.741 57.388 40.954 1.00 11.36 C ATOM 844 CZ TYR A 392 47.072 57.353 39.618 1.00 13.69 C ATOM 845 OH TYR A 392 48.316 56.893 39.230 1.00 13.92 O ATOM 846 HH TYR A 392 48.429 55.957 39.531 1.00 0.00 H ATOM 847 H TYR A 392 40.837 59.445 41.386 1.00 0.00 H ATOM 848 N LYS A 393 42.050 55.711 39.663 1.00 9.22 N ATOM 849 CA LYS A 393 41.907 54.269 39.867 1.00 9.25 C ATOM 850 C LYS A 393 43.003 53.534 39.091 1.00 9.92 C ATOM 851 O LYS A 393 42.737 52.838 38.109 1.00 11.18 O ATOM 852 CB LYS A 393 40.517 53.801 39.416 1.00 10.53 C ATOM 853 CG LYS A 393 39.367 54.277 40.307 1.00 11.82 C ATOM 854 CD LYS A 393 39.258 53.436 41.554 1.00 19.22 C ATOM 855 CE LYS A 393 38.028 53.816 42.377 1.00 29.79 C ATOM 856 NZ LYS A 393 37.348 52.607 42.922 1.00 39.90 N ATOM 857 HZ1 LYS A 393 37.046 51.997 42.136 1.00 0.00 H ATOM 858 HZ2 LYS A 393 38.008 52.085 43.533 1.00 0.00 H ATOM 859 HZ3 LYS A 393 36.517 52.898 43.476 1.00 0.00 H ATOM 860 H LYS A 393 42.226 56.056 38.698 1.00 0.00 H ATOM 861 N PRO A 394 44.251 53.687 39.532 1.00 10.12 N ATOM 862 CA PRO A 394 45.361 53.170 38.731 1.00 10.97 C ATOM 863 C PRO A 394 45.418 51.644 38.646 1.00 10.16 C ATOM 864 O PRO A 394 45.910 51.119 37.638 1.00 12.14 O ATOM 865 CB PRO A 394 46.593 53.729 39.449 1.00 11.42 C ATOM 866 CG PRO A 394 46.150 53.961 40.855 1.00 11.31 C ATOM 867 CD PRO A 394 44.714 54.406 40.732 1.00 12.20 C ATOM 868 N GLU A 395 44.957 50.942 39.680 1.00 11.53 N ATOM 869 CA GLU A 395 44.980 49.485 39.666 1.00 13.48 C ATOM 870 C GLU A 395 44.042 48.964 38.581 1.00 13.96 C ATOM 871 O GLU A 395 44.416 48.098 37.786 1.00 13.82 O ATOM 872 CB GLU A 395 44.603 48.920 41.040 1.00 14.57 C ATOM 873 CG GLU A 395 45.611 49.233 42.156 1.00 18.17 C ATOM 874 CD GLU A 395 45.524 50.658 42.693 1.00 19.98 C ATOM 875 OE1 GLU A 395 44.481 51.331 42.504 1.00 17.22 O ATOM 876 OE2 GLU A 395 46.514 51.106 43.317 1.00 17.94 O ATOM 877 H GLU A 395 44.575 51.441 40.509 1.00 0.00 H ATOM 878 N GLU A 396 42.819 49.486 38.543 1.00 13.52 N ATOM 879 CA GLU A 396 41.877 49.089 37.505 1.00 14.79 C ATOM 880 C GLU A 396 42.436 49.451 36.141 1.00 14.13 C ATOM 881 O GLU A 396 42.405 48.645 35.209 1.00 14.21 O ATOM 882 CB GLU A 396 40.510 49.754 37.702 1.00 17.21 C ATOM 883 CG GLU A 396 39.663 49.109 38.781 1.00 20.56 C ATOM 884 CD GLU A 396 39.971 49.652 40.160 1.00 23.39 C ATOM 885 OE1 GLU A 396 40.961 50.405 40.299 1.00 19.17 O ATOM 886 OE2 GLU A 396 39.217 49.335 41.103 1.00 26.92 O ATOM 887 H GLU A 396 42.533 50.183 39.260 1.00 0.00 H ATOM 888 N TYR A 397 42.952 50.671 36.022 1.00 12.44 N ATOM 889 CA TYR A 397 43.471 51.133 34.736 1.00 10.98 C ATOM 890 C TYR A 397 44.604 50.237 34.238 1.00 12.34 C ATOM 891 O TYR A 397 44.694 49.933 33.043 1.00 13.54 O ATOM 892 CB TYR A 397 43.996 52.586 34.801 1.00 12.65 C ATOM 893 CG TYR A 397 44.725 52.881 33.523 1.00 10.38 C ATOM 894 CD1 TYR A 397 44.026 53.208 32.371 1.00 10.93 C ATOM 895 CD2 TYR A 397 46.104 52.731 33.437 1.00 10.88 C ATOM 896 CE1 TYR A 397 44.667 53.400 31.182 1.00 12.28 C ATOM 897 CE2 TYR A 397 46.761 52.924 32.248 1.00 11.46 C ATOM 898 CZ TYR A 397 46.036 53.258 31.125 1.00 13.15 C ATOM 899 OH TYR A 397 46.682 53.441 29.940 1.00 14.33 O ATOM 900 HH TYR A 397 47.151 52.606 29.689 1.00 0.00 H ATOM 901 H TYR A 397 42.986 51.300 36.849 1.00 0.00 H ATOM 902 N SER A 398 45.488 49.843 35.144 1.00 11.87 N ATOM 903 CA SER A 398 46.697 49.112 34.764 1.00 15.80 C ATOM 904 C SER A 398 46.407 47.778 34.070 1.00 17.26 C ATOM 905 O SER A 398 47.292 47.208 33.427 1.00 20.85 O ATOM 906 CB SER A 398 47.573 48.868 35.995 1.00 17.66 C ATOM 907 OG SER A 398 46.977 47.927 36.871 1.00 19.51 O ATOM 908 HG SER A 398 46.098 48.268 37.172 1.00 0.00 H ATOM 909 H SER A 398 45.318 50.058 36.147 1.00 0.00 H ATOM 910 N ARG A 399 45.181 47.276 34.187 1.00 15.58 N ATOM 911 CA ARG A 399 44.824 46.015 33.537 1.00 16.30 C ATOM 912 C ARG A 399 44.746 46.188 32.024 1.00 14.22 C ATOM 913 O ARG A 399 44.865 45.222 31.273 1.00 15.46 O ATOM 914 CB ARG A 399 43.490 45.487 34.064 1.00 20.45 C ATOM 915 CG ARG A 399 42.277 46.046 33.345 1.00 21.99 C ATOM 916 H ARG A 399 44.468 47.786 34.747 1.00 0.00 H ATOM 917 N PHE A 400 44.560 47.428 31.579 1.00 11.70 N ATOM 918 CA PHE A 400 44.399 47.713 30.159 1.00 11.53 C ATOM 919 C PHE A 400 45.725 47.842 29.406 1.00 10.90 C ATOM 920 O PHE A 400 45.817 47.474 28.236 1.00 12.54 O ATOM 921 CB PHE A 400 43.598 49.002 29.978 1.00 13.09 C ATOM 922 CG PHE A 400 42.157 48.889 30.394 1.00 13.29 C ATOM 923 CD1 PHE A 400 41.224 48.307 29.555 1.00 23.01 C ATOM 924 CD2 PHE A 400 41.733 49.397 31.605 1.00 17.89 C ATOM 925 CE1 PHE A 400 39.897 48.215 29.928 1.00 26.42 C ATOM 926 CE2 PHE A 400 40.404 49.302 31.986 1.00 23.93 C ATOM 927 CZ PHE A 400 39.491 48.713 31.146 1.00 25.88 C ATOM 928 H PHE A 400 44.529 48.213 32.261 1.00 0.00 H ATOM 929 N GLU A 401 46.740 48.391 30.070 1.00 9.89 N ATOM 930 CA GLU A 401 47.988 48.743 29.385 1.00 9.83 C ATOM 931 C GLU A 401 49.060 47.705 29.667 1.00 11.59 C ATOM 932 O GLU A 401 49.312 47.366 30.821 1.00 14.88 O ATOM 933 CB GLU A 401 48.479 50.135 29.806 1.00 11.59 C ATOM 934 CG GLU A 401 49.654 50.646 28.957 1.00 14.08 C ATOM 935 CD GLU A 401 50.033 52.107 29.214 1.00 15.14 C ATOM 936 OE1 GLU A 401 49.387 52.783 30.041 1.00 14.48 O ATOM 937 OE2 GLU A 401 51.007 52.575 28.590 1.00 15.18 O ATOM 938 H GLU A 401 46.646 48.573 31.090 1.00 0.00 H ATOM 939 N ALA A 402 49.686 47.204 28.606 1.00 11.57 N ATOM 940 CA ALA A 402 50.697 46.161 28.717 1.00 13.00 C ATOM 941 C ALA A 402 51.826 46.510 29.686 1.00 15.58 C ATOM 942 O ALA A 402 52.338 47.630 29.690 1.00 17.50 O ATOM 943 CB ALA A 402 51.278 45.856 27.343 1.00 17.56 C ATOM 944 H ALA A 402 49.445 47.570 27.663 1.00 0.00 H ATOM 945 N ASN A 403 52.212 45.519 30.490 1.00 14.40 N ATOM 946 CA ASN A 403 53.383 45.608 31.355 1.00 13.50 C ATOM 947 C ASN A 403 53.301 46.787 32.324 1.00 18.22 C ATOM 948 O ASN A 403 54.321 47.361 32.702 1.00 16.30 O ATOM 949 CB ASN A 403 54.656 45.711 30.510 1.00 19.69 C ATOM 950 CG ASN A 403 54.919 44.463 29.692 1.00 25.82 C ATOM 951 OD1 ASN A 403 55.205 44.542 28.496 1.00 37.58 O ATOM 952 ND2 ASN A 403 54.835 43.300 30.334 1.00 22.85 N ATOM 953 HD22 ASN A 403 54.590 43.280 31.345 1.00 0.00 H ATOM 954 HD21 ASN A 403 55.014 42.411 29.825 1.00 0.00 H ATOM 955 H ASN A 403 51.653 44.642 30.501 1.00 0.00 H ATOM 956 N SER A 404 52.081 47.144 32.718 1.00 15.89 N ATOM 957 CA SER A 404 51.868 48.266 33.625 1.00 15.87 C ATOM 958 C SER A 404 51.553 47.771 35.032 1.00 16.63 C ATOM 959 O SER A 404 51.029 46.671 35.220 1.00 18.78 O ATOM 960 CB SER A 404 50.738 49.170 33.117 1.00 15.74 C ATOM 961 OG SER A 404 49.465 48.575 33.305 1.00 10.66 O ATOM 962 HG SER A 404 49.426 47.719 32.810 1.00 0.00 H ATOM 963 H SER A 404 51.259 46.610 32.371 1.00 0.00 H ATOM 964 N ARG A 405 51.889 48.597 36.016 1.00 14.30 N ATOM 965 CA ARG A 405 51.660 48.280 37.414 1.00 13.09 C ATOM 966 C ARG A 405 51.620 49.584 38.189 1.00 11.52 C ATOM 967 O ARG A 405 51.894 50.655 37.641 1.00 13.91 O ATOM 968 CB ARG A 405 52.761 47.373 37.958 1.00 14.20 C ATOM 969 CG ARG A 405 54.129 48.008 37.875 1.00 12.43 C ATOM 970 CD ARG A 405 55.246 47.033 38.183 1.00 13.86 C ATOM 971 NE ARG A 405 56.535 47.608 37.818 1.00 16.95 N ATOM 972 CZ ARG A 405 57.247 48.424 38.585 1.00 17.73 C ATOM 973 NH1 ARG A 405 56.823 48.766 39.797 1.00 19.45 N ATOM 974 NH2 ARG A 405 58.404 48.892 38.136 1.00 21.56 N ATOM 975 HE ARG A 405 56.926 47.360 36.887 1.00 0.00 H ATOM 976 HH12 ARG A 405 57.393 49.407 40.386 1.00 0.00 H ATOM 977 HH11 ARG A 405 55.921 48.393 40.157 1.00 0.00 H ATOM 978 HH22 ARG A 405 58.971 49.532 38.728 1.00 0.00 H ATOM 979 HH21 ARG A 405 58.744 48.619 37.192 1.00 0.00 H ATOM 980 H ARG A 405 52.333 49.506 35.776 1.00 0.00 H ATOM 981 N VAL A 406 51.279 49.488 39.462 1.00 12.27 N ATOM 982 CA VAL A 406 51.149 50.657 40.319 1.00 11.67 C ATOM 983 C VAL A 406 52.242 50.598 41.382 1.00 13.28 C ATOM 984 O VAL A 406 52.395 49.572 42.049 1.00 13.94 O ATOM 985 CB VAL A 406 49.756 50.709 40.961 1.00 10.77 C ATOM 986 CG1 VAL A 406 49.591 51.978 41.753 1.00 12.53 C ATOM 987 CG2 VAL A 406 48.661 50.562 39.910 1.00 16.48 C ATOM 988 H VAL A 406 51.098 48.546 39.865 1.00 0.00 H ATOM 989 N ASP A 407 53.001 51.680 41.550 1.00 15.30 N ATOM 990 CA ASP A 407 54.031 51.701 42.593 1.00 18.13 C ATOM 991 C ASP A 407 53.480 52.228 43.939 1.00 19.62 C ATOM 992 O ASP A 407 52.281 52.426 44.095 1.00 18.57 O ATOM 993 CB ASP A 407 55.264 52.505 42.135 1.00 24.63 C ATOM 994 CG ASP A 407 55.053 54.017 42.145 1.00 22.27 C ATOM 995 OD1 ASP A 407 54.057 54.524 42.705 1.00 22.06 O ATOM 996 OD2 ASP A 407 55.942 54.715 41.606 1.00 22.89 O ATOM 997 H ASP A 407 52.863 52.511 40.940 1.00 0.00 H ATOM 998 N SER A 408 54.368 52.457 44.902 1.00 27.18 N ATOM 999 CA SER A 408 53.945 52.721 46.276 1.00 28.37 C ATOM 1000 C SER A 408 53.291 54.091 46.483 1.00 29.34 C ATOM 1001 O SER A 408 52.629 54.309 47.498 1.00 32.10 O ATOM 1002 CB SER A 408 55.141 52.579 47.222 1.00 30.29 C ATOM 1003 OG SER A 408 56.170 53.494 46.895 1.00 28.28 O ATOM 1004 HG SER A 408 56.479 53.325 45.970 1.00 0.00 H ATOM 1005 H SER A 408 55.382 52.448 44.673 1.00 0.00 H ATOM 1006 N SER A 409 53.465 55.009 45.537 1.00 26.83 N ATOM 1007 CA SER A 409 52.811 56.317 45.624 1.00 26.62 C ATOM 1008 C SER A 409 51.502 56.333 44.848 1.00 25.90 C ATOM 1009 O SER A 409 50.770 57.327 44.849 1.00 28.91 O ATOM 1010 CB SER A 409 53.739 57.417 45.110 1.00 34.15 C ATOM 1011 OG SER A 409 53.968 57.286 43.718 1.00 35.82 O ATOM 1012 HG SER A 409 54.387 56.408 43.535 1.00 0.00 H ATOM 1013 H SER A 409 54.075 54.795 44.722 1.00 0.00 H ATOM 1014 N GLY A 410 51.200 55.220 44.192 1.00 20.87 N ATOM 1015 CA GLY A 410 50.017 55.132 43.371 1.00 19.04 C ATOM 1016 C GLY A 410 50.267 55.500 41.925 1.00 18.34 C ATOM 1017 O GLY A 410 49.339 55.536 41.123 1.00 19.39 O ATOM 1018 H GLY A 410 51.828 54.395 44.271 1.00 0.00 H ATOM 1019 N ARG A 411 51.527 55.734 41.567 1.00 15.94 N ATOM 1020 CA ARG A 411 51.850 56.067 40.184 1.00 12.19 C ATOM 1021 C ARG A 411 51.871 54.832 39.289 1.00 12.50 C ATOM 1022 O ARG A 411 52.285 53.753 39.698 1.00 14.50 O ATOM 1023 CB ARG A 411 53.187 56.806 40.132 1.00 17.13 C ATOM 1024 CG ARG A 411 53.014 58.220 40.627 1.00 23.67 C ATOM 1025 CD ARG A 411 54.289 58.975 40.842 1.00 32.45 C ATOM 1026 NE ARG A 411 53.963 60.386 41.035 1.00 36.95 N ATOM 1027 CZ ARG A 411 53.515 60.903 42.175 1.00 36.84 C ATOM 1028 NH1 ARG A 411 53.360 60.134 43.246 1.00 28.05 N ATOM 1029 NH2 ARG A 411 53.234 62.195 42.251 1.00 40.64 N ATOM 1030 HE ARG A 411 54.090 61.029 40.227 1.00 0.00 H ATOM 1031 HH12 ARG A 411 53.009 60.545 44.135 1.00 0.00 H ATOM 1032 HH11 ARG A 411 53.589 59.121 43.196 1.00 0.00 H ATOM 1033 HH22 ARG A 411 52.884 62.599 43.143 1.00 0.00 H ATOM 1034 HH21 ARG A 411 53.364 62.805 41.419 1.00 0.00 H ATOM 1035 H ARG A 411 52.285 55.679 42.277 1.00 0.00 H ATOM 1036 N ILE A 412 51.381 55.002 38.068 1.00 11.54 N ATOM 1037 CA ILE A 412 51.382 53.941 37.073 1.00 12.53 C ATOM 1038 C ILE A 412 52.742 53.879 36.409 1.00 17.68 C ATOM 1039 O ILE A 412 53.210 54.865 35.847 1.00 20.22 O ATOM 1040 CB ILE A 412 50.279 54.165 36.037 1.00 12.44 C ATOM 1041 CG1 ILE A 412 48.916 54.110 36.720 1.00 13.56 C ATOM 1042 CG2 ILE A 412 50.366 53.133 34.915 1.00 12.61 C ATOM 1043 CD1 ILE A 412 47.850 54.869 35.983 1.00 16.93 C ATOM 1044 H ILE A 412 50.982 55.928 37.813 1.00 0.00 H ATOM 1045 N VAL A 413 53.355 52.706 36.475 1.00 15.60 N ATOM 1046 CA VAL A 413 54.657 52.455 35.893 1.00 14.38 C ATOM 1047 C VAL A 413 54.505 51.394 34.824 1.00 13.72 C ATOM 1048 O VAL A 413 53.830 50.394 35.030 1.00 14.03 O ATOM 1049 CB VAL A 413 55.669 52.001 36.973 1.00 21.08 C ATOM 1050 CG1 VAL A 413 56.969 51.517 36.344 1.00 26.87 C ATOM 1051 CG2 VAL A 413 55.928 53.138 37.950 1.00 28.72 C ATOM 1052 H VAL A 413 52.877 51.926 36.970 1.00 0.00 H ATOM 1053 N THR A 414 55.164 51.605 33.695 1.00 18.51 N ATOM 1054 CA THR A 414 55.169 50.625 32.622 1.00 20.04 C ATOM 1055 C THR A 414 56.604 50.173 32.386 1.00 23.18 C ATOM 1056 O THR A 414 57.505 50.994 32.219 1.00 26.56 O ATOM 1057 CB THR A 414 54.548 51.207 31.336 1.00 22.13 C ATOM 1058 OG1 THR A 414 53.226 51.683 31.624 1.00 21.49 O ATOM 1059 CG2 THR A 414 54.482 50.158 30.246 1.00 24.67 C ATOM 1060 HG1 THR A 414 53.274 52.387 32.318 1.00 0.00 H ATOM 1061 H THR A 414 55.691 52.493 33.573 1.00 0.00 H ATOM 1062 N ASP A 415 56.817 48.862 32.396 1.00 19.39 N ATOM 1063 CA ASP A 415 58.151 48.312 32.253 1.00 24.32 C ATOM 1064 C ASP A 415 58.434 48.003 30.790 1.00 36.11 C ATOM 1065 O ASP A 415 59.581 47.781 30.404 1.00 41.27 O ATOM 1066 CB ASP A 415 58.305 47.050 33.108 1.00 21.92 C ATOM 1067 CG ASP A 415 58.053 47.308 34.587 1.00 25.65 C ATOM 1068 OD1 ASP A 415 58.824 48.075 35.206 1.00 23.73 O ATOM 1069 OD2 ASP A 415 57.085 46.736 35.128 1.00 24.37 O ATOM 1070 OXT ASP A 415 57.517 47.972 29.967 1.00 31.35 O ATOM 1071 H ASP A 415 56.010 48.216 32.509 1.00 0.00 H TER 1072 ASP A 415 HETATM 1073 O HOH 1 28.456 62.736 18.918 1.00 49.42 O HETATM 1074 O HOH 2 32.342 49.566 24.717 1.00 51.63 O HETATM 1075 O HOH 3 36.217 51.375 39.307 1.00 41.16 O HETATM 1076 O HOH 4 57.368 65.091 48.556 1.00 53.44 O HETATM 1077 O HOH 5 45.362 74.969 34.336 1.00 24.03 O HETATM 1078 O HOH 6 27.315 51.200 23.340 1.00 26.65 O HETATM 1079 O HOH 7 25.995 68.043 20.433 1.00 40.44 O HETATM 1080 O HOH 8 43.593 62.286 22.607 1.00 22.16 O HETATM 1081 O HOH 9 36.053 50.898 41.662 1.00 85.00 O HETATM 1082 O HOH 10 41.685 50.329 42.683 1.00 21.40 O HETATM 1083 O HOH 11 60.863 49.330 34.454 1.00 42.68 O HETATM 1084 O HOH 12 55.816 52.645 28.219 1.00 27.10 O HETATM 1085 O HOH 13 41.111 60.816 42.617 1.00 9.82 O HETATM 1086 O HOH 14 48.444 49.746 44.351 1.00 22.93 O HETATM 1087 O HOH 15 33.159 77.329 28.664 1.00 42.36 O HETATM 1088 O HOH 16 25.488 53.919 36.233 1.00 23.83 O HETATM 1089 O HOH 17 29.405 48.778 29.980 1.00 44.47 O HETATM 1090 O HOH 18 37.478 48.251 36.370 1.00 28.06 O HETATM 1091 O HOH 19 35.366 53.328 44.465 1.00 27.17 O HETATM 1092 O HOH 20 24.111 57.354 32.467 1.00 20.94 O HETATM 1093 O HOH 21 58.370 64.953 41.770 1.00 27.98 O HETATM 1094 O HOH 22 29.298 68.905 39.769 1.00 29.42 O HETATM 1095 O HOH 23 44.539 62.049 39.392 1.00 15.22 O HETATM 1096 O HOH 24 22.637 54.774 21.510 1.00 20.03 O HETATM 1097 O HOH 25 41.342 70.510 21.274 1.00 37.66 O HETATM 1098 O HOH 26 38.497 72.465 36.997 1.00 27.40 O HETATM 1099 O HOH 27 56.724 56.428 39.717 1.00 33.70 O HETATM 1100 O HOH 28 37.133 60.317 18.051 1.00 33.13 O HETATM 1101 O HOH 29 29.521 61.636 39.288 1.00 25.03 O HETATM 1102 O HOH 30 47.458 57.071 45.396 1.00 26.50 O HETATM 1103 O HOH 31 44.793 74.017 37.037 1.00 35.08 O HETATM 1104 O HOH 32 53.048 54.150 29.336 1.00 20.98 O HETATM 1105 O HOH 33 50.215 51.505 45.552 1.00 24.74 O HETATM 1106 O HOH 34 39.756 69.516 40.074 1.00 19.89 O HETATM 1107 O HOH 35 40.171 56.010 43.936 1.00 11.07 O HETATM 1108 O HOH 36 30.239 72.831 20.036 1.00 20.37 O HETATM 1109 O HOH 37 44.752 67.642 26.379 1.00 10.19 O HETATM 1110 O HOH 38 28.043 72.545 28.462 1.00 40.00 O HETATM 1111 O HOH 39 33.419 55.172 34.238 1.00 10.87 O HETATM 1112 O HOH 40 26.786 64.901 27.228 1.00 28.78 O HETATM 1113 O HOH 41 54.958 43.927 25.862 1.00 24.25 O HETATM 1114 O HOH 42 55.458 44.747 34.223 1.00 30.63 O HETATM 1115 O HOH 43 29.614 80.059 21.655 1.00 23.08 O HETATM 1116 O HOH 44 28.700 48.299 38.434 1.00 55.28 O HETATM 1117 O HOH 45 25.602 61.682 37.983 1.00 53.94 O HETATM 1118 O HOH 46 54.492 47.912 41.396 1.00 16.04 O HETATM 1119 O HOH 47 39.755 47.291 34.969 1.00 36.35 O HETATM 1120 O HOH 48 51.791 51.148 26.366 1.00 13.24 O HETATM 1121 O HOH 49 49.298 45.418 32.786 1.00 21.37 O HETATM 1122 O HOH 50 26.249 52.908 21.247 1.00 29.10 O HETATM 1123 O HOH 51 41.310 73.718 29.779 1.00 25.04 O HETATM 1124 O HOH 52 29.642 65.529 35.944 1.00 14.87 O HETATM 1125 O HOH 53 50.355 57.646 37.507 1.00 20.32 O HETATM 1126 O HOH 54 49.126 58.777 35.707 1.00 29.53 O HETATM 1127 O HOH 55 48.034 74.569 23.491 1.00 27.36 O HETATM 1128 O HOH 56 35.146 54.392 40.930 1.00 39.27 O HETATM 1129 O HOH 57 29.195 72.000 32.564 1.00 23.64 O HETATM 1130 O HOH 58 31.627 50.943 32.223 1.00 24.26 O HETATM 1131 O HOH 59 56.445 54.065 33.387 1.00 26.82 O HETATM 1132 O HOH 60 29.883 69.375 22.453 1.00 21.50 O HETATM 1133 O HOH 61 55.599 72.092 51.579 1.00 50.13 O HETATM 1134 O HOH 62 45.801 42.702 32.037 1.00 27.00 O HETATM 1135 O HOH 63 57.004 51.372 44.765 1.00 41.20 O HETATM 1136 O HOH 64 43.989 73.530 23.792 1.00 33.13 O HETATM 1137 O HOH 65 52.062 69.081 28.647 1.00 19.18 O HETATM 1138 O HOH 66 45.685 67.494 33.022 1.00 17.71 O HETATM 1139 O HOH 67 36.085 76.655 19.632 1.00 25.48 O HETATM 1140 O HOH 68 47.950 70.356 21.161 1.00 26.86 O HETATM 1141 O HOH 69 52.592 48.406 44.612 1.00 38.37 O HETATM 1142 O HOH 70 40.796 74.802 27.321 1.00 37.21 O HETATM 1143 O HOH 71 56.508 65.942 50.708 1.00 50.38 O HETATM 1144 O HOH 72 53.049 54.763 32.654 1.00 34.28 O HETATM 1145 O HOH 73 50.739 67.871 21.106 1.00 36.13 O HETATM 1146 O HOH 74 26.590 54.659 33.878 1.00 20.01 O HETATM 1147 O HOH 75 27.745 74.383 24.681 1.00 35.12 O HETATM 1148 O HOH 76 53.282 48.789 27.249 1.00 20.15 O HETATM 1149 O HOH 77 50.685 72.362 28.392 1.00 27.62 O HETATM 1150 O HOH 78 25.784 59.016 25.465 1.00 23.17 O HETATM 1151 O HOH 79 43.989 62.854 41.999 1.00 15.42 O HETATM 1152 O HOH 80 41.536 67.142 39.801 1.00 20.63 O HETATM 1153 O HOH 81 50.159 47.038 40.496 1.00 19.02 O HETATM 1154 O HOH 82 30.051 73.166 36.610 1.00 31.51 O HETATM 1155 O HOH 83 58.409 53.320 41.038 1.00 27.60 O HETATM 1156 O HOH 84 46.108 58.660 48.134 1.00 32.57 O HETATM 1157 O HOH 85 43.621 59.616 48.790 1.00 22.12 O HETATM 1158 O HOH 86 49.937 44.797 37.158 1.00 37.51 O HETATM 1159 O HOH 87 35.586 76.768 35.839 1.00 34.09 O HETATM 1160 O HOH 88 34.346 77.192 26.284 1.00 27.61 O HETATM 1161 O HOH 89 41.637 58.414 50.523 1.00 32.73 O HETATM 1162 O HOH 90 43.133 64.644 49.327 1.00 45.29 O HETATM 1163 O HOH 91 49.566 55.739 47.717 1.00 38.96 O HETATM 1164 O HOH 92 51.465 52.460 49.507 1.00 49.95 O HETATM 1165 O HOH 93 30.868 50.719 22.968 1.00 27.92 O HETATM 1166 O HOH 94 32.484 51.476 37.371 1.00 31.67 O HETATM 1167 O HOH 95 51.898 61.215 50.639 1.00 37.02 O HETATM 1168 O HOH 96 48.963 61.365 32.856 1.00 20.09 O HETATM 1169 O HOH 97 31.279 71.680 22.244 1.00 26.38 O HETATM 1170 O HOH 98 24.764 65.890 25.613 1.00 49.92 O HETATM 1171 O HOH 99 48.762 64.684 42.786 1.00 34.55 O HETATM 1172 O HOH 100 47.831 46.727 39.535 1.00 44.82 O HETATM 1173 O HOH 101 22.623 65.416 33.963 1.00 35.48 O HETATM 1174 O HOH 102 47.067 66.362 37.178 1.00 45.35 O HETATM 1175 O HOH 103 39.690 74.790 30.711 1.00 34.67 O HETATM 1176 O HOH 104 41.380 54.015 45.167 1.00 14.75 O HETATM 1177 O HOH 105 48.925 54.003 46.394 1.00 33.32 O HETATM 1178 O HOH 106 21.628 62.766 34.754 1.00 37.71 O HETATM 1179 O HOH 107 55.186 47.066 26.558 1.00 37.61 O HETATM 1180 O HOH 108 28.846 58.999 39.031 1.00 23.91 O HETATM 1181 O HOH 109 45.104 64.832 38.602 1.00 24.46 O HETATM 1182 O HOH 110 39.273 78.393 27.921 1.00 31.08 O HETATM 1183 O HOH 111 39.397 45.558 33.245 1.00 39.80 O HETATM 1184 O HOH 112 57.266 42.411 26.947 1.00 23.28 O HETATM 1185 O HOH 113 27.045 70.332 33.683 1.00 40.85 O HETATM 1186 O HOH 114 25.640 50.885 19.345 1.00 44.81 O HETATM 1187 O HOH 115 43.772 66.722 40.239 1.00 25.58 O HETATM 1188 O HOH 116 51.771 65.578 44.169 1.00 45.12 O HETATM 1189 O HOH 117 33.760 79.158 22.023 1.00 29.09 O HETATM 1190 O HOH 118 46.868 72.652 37.549 1.00 27.48 O HETATM 1191 O HOH 119 40.233 51.559 44.658 1.00 19.08 O HETATM 1192 O HOH 120 26.610 58.396 40.262 1.00 26.45 O HETATM 1193 O HOH 121 45.433 77.160 30.963 1.00 29.93 O HETATM 1194 O HOH 122 56.892 49.646 43.260 1.00 37.62 O HETATM 1195 O HOH 123 41.743 47.740 43.127 1.00 30.70 O HETATM 1196 O HOH 124 49.695 47.393 43.302 1.00 36.43 O HETATM 1197 O HOH 125 27.121 69.247 36.057 1.00 37.52 O HETATM 1198 O HOH 126 42.886 68.700 21.437 1.00 33.98 O HETATM 1199 O HOH 127 27.885 69.434 20.181 1.00 44.27 O HETATM 1200 O HOH 128 44.300 65.346 42.405 1.00 28.23 O HETATM 1201 O HOH 129 28.438 67.288 37.988 1.00 22.85 O HETATM 1202 O HOH 130 28.783 71.800 38.631 1.00 52.49 O HETATM 1203 O HOH 131 36.903 79.178 27.131 1.00 40.47 O HETATM 1204 O HOH 132 47.111 52.849 48.485 1.00 50.71 O HETATM 1205 O HOH 133 42.862 73.058 21.562 1.00 44.21 O HETATM 1206 O HOH 134 23.803 51.409 33.079 1.00 34.39 O HETATM 1207 O HOH 135 46.822 66.372 43.444 1.00 29.28 O HETATM 1208 O HOH 136 42.155 75.111 25.112 1.00 28.01 O HETATM 1209 O HOH 137 57.375 55.995 34.977 1.00 49.37 O HETATM 1210 O HOH 138 53.728 70.025 26.976 1.00 49.06 O HETATM 1211 O HOH 139 26.715 72.900 22.504 1.00 33.14 O HETATM 1212 O HOH 140 28.125 74.526 32.918 1.00 35.82 O HETATM 1213 O HOH 141 32.914 76.230 37.197 1.00 45.99 O HETATM 1214 O HOH 142 29.781 62.280 41.989 1.00 26.69 O HETATM 1215 O HOH 143 24.706 62.128 27.492 1.00 40.77 O HETATM 1216 O HOH 144 43.505 45.527 42.125 1.00 45.82 O HETATM 1217 O HOH 145 39.746 50.952 20.047 1.00 42.74 O HETATM 1218 O HOH 146 39.151 58.119 18.216 1.00 34.69 O HETATM 1219 O HOH 147 41.649 63.871 21.530 1.00 20.73 O HETATM 1220 O HOH 148 46.593 55.995 24.195 1.00 38.27 O HETATM 1221 N TYR A 149 37.441 45.210 24.035 1.00 0.24 N HETATM 1222 CA TYR A 149 38.209 46.433 24.214 1.00 0.07 C HETATM 1223 C TYR A 149 37.923 47.488 23.148 1.00 0.23 C HETATM 1224 O TYR A 149 37.787 47.172 21.967 1.00 -0.39 O HETATM 1225 N TYR A 149 37.840 48.745 23.579 1.00 -0.26 N HETATM 1226 CA TYR A 149 37.618 49.868 22.672 1.00 0.13 C HETATM 1227 C TYR A 149 38.269 51.138 23.224 1.00 0.20 C HETATM 1228 O TYR A 149 38.155 51.433 24.415 1.00 -0.39 O HETATM 1229 N TYR A 149 38.962 51.878 22.362 1.00 -0.26 N HETATM 1230 CA TYR A 149 39.588 53.136 22.765 1.00 0.13 C HETATM 1231 C TYR A 149 39.272 54.232 21.756 1.00 0.20 C HETATM 1232 O TYR A 149 39.329 54.016 20.546 1.00 -0.39 O HETATM 1233 N TYR A 149 38.948 55.415 22.266 1.00 -0.26 N HETATM 1234 CA TYR A 149 38.502 56.522 21.425 1.00 0.16 C HETATM 1235 C TYR A 149 39.085 57.852 21.886 1.00 0.21 C HETATM 1236 O TYR A 149 39.267 58.071 23.079 1.00 -0.39 O HETATM 1237 N TYR A 149 39.357 58.743 20.935 1.00 -0.26 N HETATM 1238 CA TYR A 149 39.795 60.097 21.247 1.00 0.15 C HETATM 1239 C TYR A 149 38.584 61.005 21.410 1.00 0.21 C HETATM 1240 O TYR A 149 37.640 60.928 20.620 1.00 -0.39 O HETATM 1241 N TYR A 149 38.614 61.873 22.418 1.00 -0.27 N HETATM 1242 CA TYR A 149 37.527 62.824 22.620 1.00 0.10 C HETATM 1243 C TYR A 149 38.061 64.235 22.793 1.00 0.06 C HETATM 1244 O TYR A 149 37.267 65.184 22.784 1.00 -0.57 O HETATM 1245 OXT TYR A 149 39.262 64.445 22.951 1.00 -0.57 O HETATM 1246 CB TYR A 149 36.657 62.436 23.828 1.00 -0.01 C HETATM 1247 CG1 TYR A 149 36.020 61.076 23.608 1.00 -0.06 C HETATM 1248 H40 TYR A 149 35.403 60.815 24.480 1.00 0.02 H HETATM 1249 H41 TYR A 149 36.807 60.319 23.477 1.00 0.02 H HETATM 1250 H42 TYR A 149 35.388 61.108 22.708 1.00 0.02 H HETATM 1251 CG2 TYR A 149 37.486 62.439 25.104 1.00 -0.06 C HETATM 1252 H43 TYR A 149 37.938 63.432 25.245 1.00 0.02 H HETATM 1253 H44 TYR A 149 38.280 61.682 25.027 1.00 0.02 H HETATM 1254 H45 TYR A 149 36.839 62.206 25.962 1.00 0.02 H HETATM 1255 H39 TYR A 149 35.855 63.182 23.933 1.00 0.03 H HETATM 1256 H38 TYR A 149 36.892 62.806 21.722 1.00 0.07 H HETATM 1257 H37 TYR A 149 39.392 61.873 23.046 1.00 0.19 H HETATM 1258 CB TYR A 149 40.701 60.649 20.139 1.00 0.08 C HETATM 1259 OG TYR A 149 41.833 59.828 19.933 1.00 -0.39 O HETATM 1260 H36 TYR A 149 42.338 59.779 20.736 1.00 0.21 H HETATM 1261 H34 TYR A 149 41.038 61.657 20.423 1.00 0.06 H HETATM 1262 H35 TYR A 149 40.126 60.705 19.203 1.00 0.06 H HETATM 1263 H33 TYR A 149 40.360 60.078 22.191 1.00 0.08 H HETATM 1264 H32 TYR A 149 39.258 58.475 19.977 1.00 0.19 H HETATM 1265 CB TYR A 149 36.964 56.639 21.431 1.00 0.09 C HETATM 1266 OG1 TYR A 149 36.378 55.343 21.260 1.00 -0.39 O HETATM 1267 H28 TYR A 149 35.431 55.422 21.265 1.00 0.21 H HETATM 1268 CG2 TYR A 149 36.487 57.559 20.316 1.00 -0.03 C HETATM 1269 H29 TYR A 149 35.389 57.626 20.341 1.00 0.03 H HETATM 1270 H30 TYR A 149 36.808 57.155 19.345 1.00 0.03 H HETATM 1271 H31 TYR A 149 36.919 58.561 20.457 1.00 0.03 H HETATM 1272 H27 TYR A 149 36.644 57.055 22.398 1.00 0.06 H HETATM 1273 H26 TYR A 149 38.839 56.328 20.396 1.00 0.08 H HETATM 1274 H25 TYR A 149 39.011 55.551 23.255 1.00 0.19 H HETATM 1275 CB TYR A 149 41.106 52.970 22.918 1.00 0.00 C HETATM 1276 CG TYR A 149 41.840 54.270 23.210 1.00 0.04 C HETATM 1277 CD TYR A 149 43.185 54.093 23.904 1.00 0.17 C HETATM 1278 OE1 TYR A 149 43.814 55.078 24.301 1.00 -0.40 O HETATM 1279 NE2 TYR A 149 43.659 52.847 24.007 1.00 -0.30 N HETATM 1280 H23 TYR A 149 44.538 52.682 24.455 1.00 0.18 H HETATM 1281 H24 TYR A 149 43.135 52.080 23.637 1.00 0.18 H HETATM 1282 H21 TYR A 149 41.199 54.889 23.855 1.00 0.05 H HETATM 1283 H22 TYR A 149 42.011 54.790 22.256 1.00 0.05 H HETATM 1284 H19 TYR A 149 41.505 52.549 21.983 1.00 0.03 H HETATM 1285 H20 TYR A 149 41.297 52.271 23.745 1.00 0.03 H HETATM 1286 H18 TYR A 149 39.173 53.431 23.740 1.00 0.08 H HETATM 1287 H17 TYR A 149 39.057 51.566 21.417 1.00 0.19 H HETATM 1288 CB TYR A 149 36.120 50.092 22.453 1.00 -0.02 C HETATM 1289 H14 TYR A 149 35.972 50.940 21.768 1.00 0.03 H HETATM 1290 H15 TYR A 149 35.637 50.310 23.417 1.00 0.03 H HETATM 1291 H16 TYR A 149 35.674 49.186 22.016 1.00 0.03 H HETATM 1292 H13 TYR A 149 38.081 49.631 21.703 1.00 0.08 H HETATM 1293 H12 TYR A 149 37.933 48.926 24.558 1.00 0.19 H HETATM 1294 CB TYR A 149 39.691 46.083 24.218 1.00 0.04 C HETATM 1295 CG TYR A 149 40.601 47.223 23.852 1.00 -0.05 C HETATM 1296 CD1 TYR A 149 40.917 48.200 24.779 1.00 -0.07 C HETATM 1297 CE1 TYR A 149 41.759 49.239 24.467 1.00 -0.04 C HETATM 1298 CZ TYR A 149 42.305 49.318 23.201 1.00 0.08 C HETATM 1299 CE2 TYR A 149 42.007 48.347 22.243 1.00 -0.04 C HETATM 1300 CD2 TYR A 149 41.151 47.307 22.586 1.00 -0.07 C HETATM 1301 H8 TYR A 149 40.911 46.549 21.849 1.00 0.05 H HETATM 1302 H10 TYR A 149 42.436 48.403 21.249 1.00 0.05 H HETATM 1303 OH TYR A 149 43.146 50.368 22.927 1.00 -0.34 O HETATM 1304 H11 TYR A 149 43.225 50.918 23.697 1.00 0.25 H HETATM 1305 H9 TYR A 149 41.994 49.993 25.210 1.00 0.05 H HETATM 1306 H7 TYR A 149 40.490 48.144 25.774 1.00 0.05 H HETATM 1307 H5 TYR A 149 39.854 45.268 23.497 1.00 0.05 H HETATM 1308 H6 TYR A 149 39.960 45.739 25.227 1.00 0.05 H HETATM 1309 H4 TYR A 149 37.945 46.862 25.192 1.00 0.11 H HETATM 1310 H1 TYR A 149 37.674 44.557 24.767 1.00 0.20 H HETATM 1311 H2 TYR A 149 37.661 44.803 23.139 1.00 0.20 H HETATM 1312 H3 TYR A 149 36.456 45.422 24.075 1.00 0.20 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 1221 1222 1310 1311 1312 CONECT 1222 1221 1223 1294 1309 CONECT 1223 1222 1224 1225 CONECT 1224 1223 CONECT 1225 1223 1226 1293 CONECT 1226 1225 1227 1288 1292 CONECT 1227 1226 1228 1229 CONECT 1228 1227 CONECT 1229 1227 1230 1287 CONECT 1230 1229 1231 1275 1286 CONECT 1231 1230 1232 1233 CONECT 1232 1231 CONECT 1233 1231 1234 1274 CONECT 1234 1233 1235 1265 1273 CONECT 1235 1234 1236 1237 CONECT 1236 1235 CONECT 1237 1235 1238 1264 CONECT 1238 1237 1239 1258 1263 CONECT 1239 1238 1240 1241 CONECT 1240 1239 CONECT 1241 1239 1242 1257 CONECT 1242 1241 1243 1246 1256 CONECT 1243 1242 1244 1245 CONECT 1244 1243 CONECT 1245 1243 CONECT 1246 1242 1247 1251 1255 CONECT 1247 1246 1248 1249 1250 CONECT 1248 1247 CONECT 1249 1247 CONECT 1250 1247 CONECT 1251 1246 1252 1253 1254 CONECT 1252 1251 CONECT 1253 1251 CONECT 1254 1251 CONECT 1255 1246 CONECT 1256 1242 CONECT 1257 1241 CONECT 1258 1238 1259 1261 1262 CONECT 1259 1258 1260 CONECT 1260 1259 CONECT 1261 1258 CONECT 1262 1258 CONECT 1263 1238 CONECT 1264 1237 CONECT 1265 1234 1266 1268 1272 CONECT 1266 1265 1267 CONECT 1267 1266 CONECT 1268 1265 1269 1270 1271 CONECT 1269 1268 CONECT 1270 1268 CONECT 1271 1268 CONECT 1272 1265 CONECT 1273 1234 CONECT 1274 1233 CONECT 1275 1230 1276 1284 1285 CONECT 1276 1275 1277 1282 1283 CONECT 1277 1276 1278 1279 CONECT 1278 1277 CONECT 1279 1277 1280 1281 CONECT 1280 1279 CONECT 1281 1279 CONECT 1282 1276 CONECT 1283 1276 CONECT 1284 1275 CONECT 1285 1275 CONECT 1286 1230 CONECT 1287 1229 CONECT 1288 1226 1289 1290 1291 CONECT 1289 1288 CONECT 1290 1288 CONECT 1291 1288 CONECT 1292 1226 CONECT 1293 1225 CONECT 1294 1222 1295 1307 1308 CONECT 1295 1294 1296 1300 CONECT 1296 1295 1297 1306 CONECT 1297 1296 1298 1305 CONECT 1298 1297 1299 1303 CONECT 1299 1298 1300 1302 CONECT 1300 1295 1299 1301 CONECT 1301 1300 CONECT 1302 1299 CONECT 1303 1298 1304 CONECT 1304 1303 CONECT 1305 1297 CONECT 1306 1296 CONECT 1307 1294 CONECT 1308 1294 CONECT 1309 1222 CONECT 1310 1221 CONECT 1311 1221 CONECT 1312 1221 MASTER 0 0 0 0 0 0 0 0 1311 1 95 9 END
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Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
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RCSB PDB
PDBbind
119aa, >5HEB_1|Chain... *
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PDBbind
119aa, >5HED_1|Chain... at 100%
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5hff
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PDBbind
119aa, >5HFF_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
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PDBbind
9-mer
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9-mer
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RCSB PDB
PDBbind
9-mer
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PDBbind
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PDBbind
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RCSB PDB
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9-mer
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RCSB PDB
PDBbind
9-mer
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RCSB PDB
PDBbind
9-mer
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RCSB PDB
PDBbind
9-mer
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PDBbind
9-mer
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RCSB PDB
PDBbind
9-mer
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RCSB PDB
PDBbind
9-mer
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PDBbind
9-mer
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RCSB PDB
PDBbind
9-mer
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RCSB PDB
PDBbind
9-mer
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RCSB PDB
PDBbind
9-mer
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RCSB PDB
PDBbind
9-mer
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PDBbind
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PDBbind
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9-mer
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PDBbind
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PDBbind
9-mer
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PDBbind
9-mer
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PDBbind
9-mer
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PDBbind
9-mer
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RCSB PDB
PDBbind
9-mer
2x3t
RCSB PDB
PDBbind
9-mer
2x4o
RCSB PDB
PDBbind
9-mer
2x4r
RCSB PDB
PDBbind
9-mer
2x4s
RCSB PDB
PDBbind
9-mer
2x4t
RCSB PDB
PDBbind
9-mer
2x4u
RCSB PDB
PDBbind
9-mer
2xhs
RCSB PDB
PDBbind
9-mer
2ymt
RCSB PDB
PDBbind
9-mer
3ah8
RCSB PDB
PDBbind
9-mer
3bgm
RCSB PDB
PDBbind
9-mer
3bze
RCSB PDB
PDBbind
9-mer
3bzf
RCSB PDB
PDBbind
9-mer
3bzi
RCSB PDB
PDBbind
9-mer
3cii
RCSB PDB
PDBbind
9-mer
3cyy
RCSB PDB
PDBbind
9-mer
3d1f
RCSB PDB
PDBbind
9-mer
3d25
RCSB PDB
PDBbind
9-mer
3drg
RCSB PDB
PDBbind
9-mer
3ery
RCSB PDB
PDBbind
9-mer
3fbr
RCSB PDB
PDBbind
9-mer
3fn0
RCSB PDB
PDBbind
9-mer
3ft2
RCSB PDB
PDBbind
9-mer
3ft3
RCSB PDB
PDBbind
9-mer
3ft4
RCSB PDB
PDBbind
9-mer
3gl6
RCSB PDB
PDBbind
9-mer
3iet
RCSB PDB
PDBbind
9-mer
3k27
RCSB PDB
PDBbind
9-mer
3lqi
RCSB PDB
PDBbind
9-mer
3lqj
RCSB PDB
PDBbind
9-mer
3mxc
RCSB PDB
PDBbind
9-mer
3mxy
RCSB PDB
PDBbind
9-mer
3o4l
RCSB PDB
PDBbind
9-mer
3o6m
RCSB PDB
PDBbind
9-mer
3obq
RCSB PDB
PDBbind
9-mer
3obu
RCSB PDB
PDBbind
9-mer
3obx
RCSB PDB
PDBbind
9-mer
3qfd
RCSB PDB
PDBbind
9-mer
3r0h
RCSB PDB
PDBbind
9-mer
3r42
RCSB PDB
PDBbind
9-mer
3rwc
RCSB PDB
PDBbind
9-mer
3rwe
RCSB PDB
PDBbind
9-mer
3rwf
RCSB PDB
PDBbind
9-mer
3rwg
RCSB PDB
PDBbind
9-mer
3soq
RCSB PDB
PDBbind
9-mer
3sou
RCSB PDB
PDBbind
9-mer
3sov
RCSB PDB
PDBbind
9-mer
3sow
RCSB PDB
PDBbind
9-mer
3t5i
RCSB PDB
PDBbind
9-mer
3tf7
RCSB PDB
PDBbind
9-mer
3tfk
RCSB PDB
PDBbind
9-mer
3tjh
RCSB PDB
PDBbind
9-mer
3tpu
RCSB PDB
PDBbind
9-mer
3zhf
RCSB PDB
PDBbind
9-mer
4bt9
RCSB PDB
PDBbind
9-mer
4btb
RCSB PDB
PDBbind
9-mer
4cdr
RCSB PDB
PDBbind
9-mer
4ezq
RCSB PDB
PDBbind
9-mer
4ezt
RCSB PDB
PDBbind
9-mer
4fcm
RCSB PDB
PDBbind
9-mer
4fmn
RCSB PDB
PDBbind
9-mer
4i80
RCSB PDB
PDBbind
9-mer
4iho
RCSB PDB
PDBbind
9-mer
4j3u
RCSB PDB
PDBbind
9-mer
4mex
RCSB PDB
PDBbind
9-mer
4mnq
RCSB PDB
PDBbind
9-mer
4mzf
RCSB PDB
PDBbind
9-mer
4mzh
RCSB PDB
PDBbind
9-mer
4o2e
RCSB PDB
PDBbind
9-mer
4od7
RCSB PDB
PDBbind
9-mer
4pg9
RCSB PDB
PDBbind
9-mer
4pgb
RCSB PDB
PDBbind
9-mer
4pgc
RCSB PDB
PDBbind
9-mer
4pgd
RCSB PDB
PDBbind
9-mer
4pge
RCSB PDB
PDBbind
9-mer
4qbm
RCSB PDB
PDBbind
9-mer
4rh5
RCSB PDB
PDBbind
9-mer
4utn
RCSB PDB
PDBbind
9-mer
4utr
RCSB PDB
PDBbind
9-mer
4utv
RCSB PDB
PDBbind
9-mer
4utx
RCSB PDB
PDBbind
9-mer
4uu7
RCSB PDB
PDBbind
9-mer
4uu8
RCSB PDB
PDBbind
9-mer
4uua
RCSB PDB
PDBbind
9-mer
4uub
RCSB PDB
PDBbind
9-mer
4x3h
RCSB PDB
PDBbind
9-mer
4y5i
RCSB PDB
PDBbind
9-mer
4yoz
RCSB PDB
PDBbind
9-mer
5apr
RCSB PDB
PDBbind
9-mer
5brz
RCSB PDB
PDBbind
9-mer
5bs0
RCSB PDB
PDBbind
9-mer
5cvd
RCSB PDB
PDBbind
9-mer
5d0j
RCSB PDB
PDBbind
9-mer
5dms
RCSB PDB
PDBbind
9-mer
5e4w
RCSB PDB
PDBbind
9-mer
5eel
RCSB PDB
PDBbind
9-mer
5eok
RCSB PDB
PDBbind
9-mer
5fjw
RCSB PDB
PDBbind
9-mer
5gu4
RCSB PDB
PDBbind
9-mer
5hda
RCSB PDB
PDBbind
9-mer
5heb
RCSB PDB
PDBbind
9-mer
5hed
RCSB PDB
PDBbind
9-mer
5hey
RCSB PDB
PDBbind
9-mer
5hf1
RCSB PDB
PDBbind
9-mer
5hfc
RCSB PDB
PDBbind
9-mer
5hff
RCSB PDB
PDBbind
9-mer
5hjc
RCSB PDB
PDBbind
9-mer
5hkh
RCSB PDB
PDBbind
9-mer
5i8c
RCSB PDB
PDBbind
9-mer
5isz
RCSB PDB
PDBbind
9-mer
5jhd
RCSB PDB
PDBbind
9-mer
5lb7
RCSB PDB
PDBbind
9-mer
5lgs
RCSB PDB
PDBbind
9-mer
5nme
RCSB PDB
PDBbind
9-mer
5nmf
RCSB PDB
PDBbind
9-mer
5nmg
RCSB PDB
PDBbind
9-mer
5npr
RCSB PDB
PDBbind
9-mer
5nps
RCSB PDB
PDBbind
9-mer
5swf
RCSB PDB
PDBbind
9-mer
5u98
RCSB PDB
PDBbind
9-mer
5w1v
RCSB PDB
PDBbind
9-mer
5w1w
RCSB PDB
PDBbind
9-mer
5w7x
RCSB PDB
PDBbind
9-mer
5yc3
RCSB PDB
PDBbind
9-mer
5yc4
RCSB PDB
PDBbind
9-mer
5ygf
RCSB PDB
PDBbind
9-mer
5yvx
RCSB PDB
PDBbind
9-mer
5yy4
RCSB PDB
PDBbind
9-mer
5zia
RCSB PDB
PDBbind
9-mer
6bj2
RCSB PDB
PDBbind
9-mer
6bj3
RCSB PDB
PDBbind
9-mer
6c4u
RCSB PDB
PDBbind
9-mer
6evm
RCSB PDB
PDBbind
9-mer
6evn
RCSB PDB
PDBbind
9-mer
6evo
RCSB PDB
PDBbind
9-mer
6evp
RCSB PDB
PDBbind
9-mer
6fdp
RCSB PDB
PDBbind
9-mer
6fdt
RCSB PDB
PDBbind
9-mer
6qts
RCSB PDB
PDBbind
9-mer
6qtq
RCSB PDB
PDBbind
9-mer
6q38
RCSB PDB
PDBbind
9-mer
6o9c
RCSB PDB
PDBbind
9-mer
6o9b
RCSB PDB
PDBbind
9-mer
6ncp
RCSB PDB
PDBbind
9-mer
6mt6
RCSB PDB
PDBbind
9-mer
6mt5
RCSB PDB
PDBbind
9-mer
6mt4
RCSB PDB
PDBbind
9-mer
6i7a
RCSB PDB
PDBbind
9-mer
6i68
RCSB PDB
PDBbind
9-mer
6i5p
RCSB PDB
PDBbind
9-mer
6i41
RCSB PDB
PDBbind
9-mer
6hlb
RCSB PDB
PDBbind
9-mer
6eqa
RCSB PDB
PDBbind
9-mer
6d78
RCSB PDB
PDBbind
9-mer
6aee
RCSB PDB
PDBbind
9-mer
5y5w
RCSB PDB
PDBbind
9-mer
5wlg
RCSB PDB
PDBbind
9-mer
5u1q
RCSB PDB
PDBbind
9-mer
5u06
RCSB PDB
PDBbind
9-mer
5tyi
RCSB PDB
PDBbind
9-mer
5iza
RCSB PDB
PDBbind
9-mer
5iz9
RCSB PDB
PDBbind
9-mer
5iz6
RCSB PDB
PDBbind
9-mer
6a9c
RCSB PDB
PDBbind
9-mer
5b6g
RCSB PDB
PDBbind
9-mer
Entry Information
PDB ID
5hfb
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
third PDZ domain from the synaptic protein PSD-95 (H372A mutant)
Ligand Name
9-mer
EC.Number
E.C.-.-.-.-
Resolution
1.62(Å)
Affinity (Kd/Ki/IC50)
Kd=26.9uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Cell(Cambridge,Mass.) Vol. 166: pp. 1-13
Ligand Properties
Formula
C
2
9
H
4
6
N
7
O
1
1
Molecular Weight
668.716
Exact Mass
668.326
No. of atoms
93
No. of bonds
93
Polar Surface Area
314.22
LOGP Value
-4.01 (
Computed with XLOGP3
)
-1.98 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 10
No. of Hydrogen Bond Acceptors: 11
No. of Rotatable Bonds: 26
No. of Nitrogen and Oxygen Atoms: 18
No. of Rings: 1
Canonical SMILES
OC[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)[NH3+])C)CCC(=O)N
InChI String
InChI=1S/C29H45N7O11/c1-13(2)22(29(46)47)35-27(44)20(12-37)34-28(45)23(15(4)38)36-26(43)19(9-10-21(31)40)33-24(41)14(3)32-25(42)18(30)11-16-5-7-17(39)8-6-16/h5-8,13-15,18-20,22-23,37-39H,9-12,30H2,1-4H3,(H2,31,40)(H,32,42)(H,33,41)(H,34,45)(H,35,44)(H,36,43)(H,46,47)/p+1/t14-,15+,18-,19-,20-,22-,23-/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):
Q792Q4
P31016
Entrez Gene ID
NCBI Entrez Gene ID:
56725
29495
ASD
Information of known allosteric effects of PDB entries
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