Browse entries in the PDBbind-CN Database
HEADER 5HF1_COMPLEX COMPND 5HF1_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 THR 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 HIS 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 ASN A 220 120 ATOM 1 N PRO A 299 65.374 69.630 49.418 1.00 89.34 N ATOM 2 CA PRO A 299 64.466 69.629 48.268 1.00 75.54 C ATOM 3 C PRO A 299 63.231 68.777 48.528 1.00 68.72 C ATOM 4 O PRO A 299 63.342 67.679 49.074 1.00 81.15 O ATOM 5 CB PRO A 299 65.316 69.037 47.133 1.00 71.12 C ATOM 6 CG PRO A 299 66.655 68.692 47.738 1.00 73.41 C ATOM 7 CD PRO A 299 66.489 68.690 49.218 1.00 82.00 C ATOM 8 HN2 PRO A 299 64.844 69.352 50.269 1.00 0.00 H ATOM 9 HN1 PRO A 299 65.757 70.588 49.547 1.00 0.00 H ATOM 10 N GLU A 300 62.070 69.284 48.133 1.00 48.92 N ATOM 11 CA GLU A 300 60.804 68.625 48.413 1.00 48.79 C ATOM 12 C GLU A 300 60.148 68.164 47.118 1.00 51.02 C ATOM 13 O GLU A 300 59.522 68.954 46.410 1.00 41.48 O ATOM 14 CB GLU A 300 59.887 69.573 49.186 1.00 56.09 C ATOM 15 CG GLU A 300 58.469 69.081 49.375 1.00 46.27 C ATOM 16 CD GLU A 300 57.745 69.852 50.462 1.00 54.68 C ATOM 17 OE1 GLU A 300 58.273 69.921 51.592 1.00 69.17 O ATOM 18 OE2 GLU A 300 56.659 70.398 50.186 1.00 48.89 O ATOM 19 H GLU A 300 62.065 70.181 47.607 1.00 0.00 H ATOM 20 N PHE A 301 60.294 66.876 46.822 1.00 64.79 N ATOM 21 CA PHE A 301 59.835 66.317 45.556 1.00 41.45 C ATOM 22 C PHE A 301 58.371 65.901 45.610 1.00 45.89 C ATOM 23 O PHE A 301 57.929 65.266 46.567 1.00 43.39 O ATOM 24 CB PHE A 301 60.705 65.119 45.166 1.00 41.83 C ATOM 25 CG PHE A 301 62.139 65.476 44.912 1.00 44.73 C ATOM 26 CD1 PHE A 301 62.491 66.208 43.792 1.00 45.07 C ATOM 27 CD2 PHE A 301 63.133 65.087 45.792 1.00 59.53 C ATOM 28 CE1 PHE A 301 63.808 66.546 43.552 1.00 47.95 C ATOM 29 CE2 PHE A 301 64.455 65.421 45.556 1.00 71.62 C ATOM 30 CZ PHE A 301 64.791 66.153 44.434 1.00 52.28 C ATOM 31 H PHE A 301 60.750 66.248 47.515 1.00 0.00 H ATOM 32 N LEU A 302 57.627 66.262 44.570 1.00 49.77 N ATOM 33 CA LEU A 302 56.214 65.919 44.480 1.00 41.64 C ATOM 34 C LEU A 302 56.064 64.414 44.326 1.00 39.90 C ATOM 35 O LEU A 302 55.147 63.815 44.878 1.00 34.53 O ATOM 36 CB LEU A 302 55.546 66.636 43.304 1.00 46.68 C ATOM 37 CG LEU A 302 55.348 68.157 43.379 1.00 41.99 C ATOM 38 CD1 LEU A 302 54.524 68.543 44.593 1.00 44.16 C ATOM 39 CD2 LEU A 302 56.668 68.902 43.381 1.00 56.08 C ATOM 40 H LEU A 302 58.066 66.805 43.799 1.00 0.00 H ATOM 41 N GLY A 303 56.985 63.807 43.585 1.00 44.77 N ATOM 42 CA GLY A 303 56.926 62.386 43.289 1.00 49.52 C ATOM 43 C GLY A 303 56.844 61.480 44.505 1.00 42.27 C ATOM 44 O GLY A 303 56.506 60.303 44.383 1.00 59.82 O ATOM 45 H GLY A 303 57.774 64.368 43.204 1.00 0.00 H ATOM 46 N GLU A 304 57.148 62.019 45.680 1.00 43.21 N ATOM 47 CA GLU A 304 57.145 61.218 46.897 1.00 46.02 C ATOM 48 C GLU A 304 55.769 61.151 47.554 1.00 49.67 C ATOM 49 O GLU A 304 55.470 60.197 48.273 1.00 57.69 O ATOM 50 CB GLU A 304 58.159 61.772 47.900 1.00 49.62 C ATOM 51 CG GLU A 304 59.603 61.685 47.433 1.00 64.33 C ATOM 52 CD GLU A 304 60.596 61.873 48.565 1.00 80.85 C ATOM 53 OE1 GLU A 304 60.257 61.536 49.720 1.00 84.85 O ATOM 54 OE2 GLU A 304 61.717 62.358 48.300 1.00 82.80 O ATOM 55 H GLU A 304 57.392 63.029 45.732 1.00 0.00 H ATOM 56 N GLU A 305 54.929 62.152 47.307 1.00 42.52 N ATOM 57 CA GLU A 305 53.668 62.258 48.037 1.00 33.90 C ATOM 58 C GLU A 305 52.502 61.644 47.274 1.00 29.95 C ATOM 59 O GLU A 305 52.489 61.593 46.043 1.00 30.01 O ATOM 60 CB GLU A 305 53.366 63.722 48.379 1.00 38.51 C ATOM 61 CG GLU A 305 53.110 64.630 47.195 1.00 43.76 C ATOM 62 CD GLU A 305 53.624 66.045 47.420 1.00 49.14 C ATOM 63 OE1 GLU A 305 53.039 66.986 46.847 1.00 57.40 O ATOM 64 OE2 GLU A 305 54.616 66.216 48.159 1.00 51.53 O ATOM 65 H GLU A 305 55.171 62.864 46.589 1.00 0.00 H ATOM 66 N ASP A 306 51.521 61.177 48.036 1.00 26.75 N ATOM 67 CA ASP A 306 50.407 60.418 47.489 1.00 33.70 C ATOM 68 C ASP A 306 49.520 61.248 46.574 1.00 28.53 C ATOM 69 O ASP A 306 49.219 62.411 46.848 1.00 29.87 O ATOM 70 CB ASP A 306 49.563 59.834 48.624 1.00 36.10 C ATOM 71 CG ASP A 306 50.315 58.793 49.434 1.00 48.32 C ATOM 72 OD1 ASP A 306 51.304 58.231 48.914 1.00 45.84 O ATOM 73 OD2 ASP A 306 49.913 58.534 50.588 1.00 52.48 O ATOM 74 H ASP A 306 51.550 61.360 49.059 1.00 0.00 H ATOM 75 N ILE A 307 49.105 60.628 45.480 1.00 26.28 N ATOM 76 CA ILE A 307 48.132 61.227 44.584 1.00 22.89 C ATOM 77 C ILE A 307 46.757 61.061 45.224 1.00 20.51 C ATOM 78 O ILE A 307 46.386 59.945 45.589 1.00 20.48 O ATOM 79 CB ILE A 307 48.207 60.587 43.194 1.00 22.60 C ATOM 80 CG1 ILE A 307 49.572 60.871 42.566 1.00 25.30 C ATOM 81 CG2 ILE A 307 47.087 61.108 42.297 1.00 29.23 C ATOM 82 CD1 ILE A 307 49.903 59.999 41.399 1.00 21.45 C ATOM 83 H ILE A 307 49.486 59.687 45.257 1.00 0.00 H ATOM 84 N PRO A 308 46.004 62.166 45.391 1.00 21.26 N ATOM 85 CA PRO A 308 44.680 62.058 46.019 1.00 21.64 C ATOM 86 C PRO A 308 43.771 61.062 45.303 1.00 19.66 C ATOM 87 O PRO A 308 43.707 61.069 44.079 1.00 16.70 O ATOM 88 CB PRO A 308 44.124 63.481 45.914 1.00 24.61 C ATOM 89 CG PRO A 308 45.330 64.347 45.866 1.00 28.54 C ATOM 90 CD PRO A 308 46.352 63.570 45.096 1.00 25.75 C ATOM 91 N ARG A 309 43.089 60.220 46.076 1.00 15.37 N ATOM 92 CA ARG A 309 42.213 59.188 45.528 1.00 14.40 C ATOM 93 C ARG A 309 40.743 59.609 45.564 1.00 13.89 C ATOM 94 O ARG A 309 39.880 58.899 45.047 1.00 13.25 O ATOM 95 CB ARG A 309 42.392 57.877 46.301 1.00 14.97 C ATOM 96 CG ARG A 309 43.802 57.290 46.252 1.00 20.86 C ATOM 97 CD ARG A 309 44.127 56.694 44.890 1.00 20.83 C ATOM 98 NE ARG A 309 45.367 55.911 44.915 1.00 25.19 N ATOM 99 CZ ARG A 309 45.459 54.600 44.686 1.00 16.12 C ATOM 100 NH1 ARG A 309 44.388 53.872 44.394 1.00 15.51 N ATOM 101 NH2 ARG A 309 46.643 54.009 44.741 1.00 21.30 N ATOM 102 HE ARG A 309 46.248 56.420 45.129 1.00 0.00 H ATOM 103 HH12 ARG A 309 44.485 52.851 44.219 1.00 0.00 H ATOM 104 HH11 ARG A 309 43.452 54.322 44.340 1.00 0.00 H ATOM 105 HH22 ARG A 309 46.723 52.987 44.564 1.00 0.00 H ATOM 106 HH21 ARG A 309 47.493 54.567 44.962 1.00 0.00 H ATOM 107 H ARG A 309 43.183 60.300 47.109 1.00 0.00 H ATOM 108 N GLU A 310 40.462 60.757 46.176 1.00 16.18 N ATOM 109 CA GLU A 310 39.092 61.263 46.289 1.00 14.69 C ATOM 110 C GLU A 310 38.561 61.746 44.937 1.00 13.88 C ATOM 111 O GLU A 310 39.337 62.165 44.082 1.00 15.73 O ATOM 112 CB GLU A 310 39.023 62.411 47.305 1.00 20.93 C ATOM 113 CG GLU A 310 39.444 62.040 48.725 1.00 23.79 C ATOM 114 CD GLU A 310 40.952 62.044 48.929 1.00 23.49 C ATOM 115 OE1 GLU A 310 41.407 61.657 50.028 1.00 26.64 O ATOM 116 OE2 GLU A 310 41.684 62.437 47.996 1.00 20.38 O ATOM 117 H GLU A 310 41.240 61.312 46.587 1.00 0.00 H ATOM 118 N PRO A 311 37.231 61.703 44.737 1.00 13.77 N ATOM 119 CA PRO A 311 36.719 62.279 43.486 1.00 14.23 C ATOM 120 C PRO A 311 36.960 63.785 43.401 1.00 14.57 C ATOM 121 O PRO A 311 36.913 64.477 44.424 1.00 15.80 O ATOM 122 CB PRO A 311 35.214 61.976 43.531 1.00 14.42 C ATOM 123 CG PRO A 311 35.027 60.997 44.647 1.00 17.70 C ATOM 124 CD PRO A 311 36.147 61.208 45.603 1.00 16.50 C ATOM 125 N ARG A 312 37.198 64.277 42.188 1.00 13.25 N ATOM 126 CA ARG A 312 37.417 65.697 41.948 1.00 14.03 C ATOM 127 C ARG A 312 36.515 66.194 40.832 1.00 14.17 C ATOM 128 O ARG A 312 36.139 65.429 39.950 1.00 13.64 O ATOM 129 CB ARG A 312 38.870 65.974 41.565 1.00 14.28 C ATOM 130 CG ARG A 312 39.901 65.434 42.534 1.00 16.07 C ATOM 131 CD ARG A 312 40.677 64.282 41.924 1.00 13.75 C ATOM 132 NE ARG A 312 41.239 64.631 40.619 1.00 13.84 N ATOM 133 CZ ARG A 312 41.603 63.742 39.701 1.00 13.38 C ATOM 134 NH1 ARG A 312 41.486 62.448 39.941 1.00 12.80 N ATOM 135 NH2 ARG A 312 42.090 64.151 38.539 1.00 13.76 N ATOM 136 HE ARG A 312 41.361 65.639 40.396 1.00 0.00 H ATOM 137 HH12 ARG A 312 41.773 61.757 39.218 1.00 0.00 H ATOM 138 HH11 ARG A 312 41.107 62.120 40.852 1.00 0.00 H ATOM 139 HH22 ARG A 312 42.375 63.455 37.821 1.00 0.00 H ATOM 140 HH21 ARG A 312 42.188 65.168 38.345 1.00 0.00 H ATOM 141 H ARG A 312 37.229 63.623 41.380 1.00 0.00 H ATOM 142 N ARG A 313 36.189 67.481 40.869 1.00 15.15 N ATOM 143 CA ARG A 313 35.482 68.122 39.771 1.00 15.69 C ATOM 144 C ARG A 313 36.475 68.905 38.928 1.00 16.34 C ATOM 145 O ARG A 313 37.245 69.713 39.443 1.00 18.54 O ATOM 146 CB ARG A 313 34.371 69.047 40.286 1.00 16.70 C ATOM 147 CG ARG A 313 33.588 69.737 39.163 1.00 17.60 C ATOM 148 CD ARG A 313 32.530 70.698 39.686 1.00 22.48 C ATOM 149 NE ARG A 313 31.617 70.066 40.636 1.00 21.09 N ATOM 150 CZ ARG A 313 31.682 70.194 41.961 1.00 39.16 C ATOM 151 NH1 ARG A 313 32.621 70.940 42.535 1.00 33.84 N ATOM 152 NH2 ARG A 313 30.791 69.573 42.720 1.00 40.13 N ATOM 153 HE ARG A 313 30.858 69.470 40.248 1.00 0.00 H ATOM 154 HH12 ARG A 313 32.655 71.027 43.571 1.00 0.00 H ATOM 155 HH11 ARG A 313 33.322 71.436 41.948 1.00 0.00 H ATOM 156 HH22 ARG A 313 30.834 69.667 43.755 1.00 0.00 H ATOM 157 HH21 ARG A 313 30.049 68.992 42.281 1.00 0.00 H ATOM 158 H ARG A 313 36.446 68.045 41.704 1.00 0.00 H ATOM 159 N ILE A 314 36.449 68.656 37.625 1.00 16.31 N ATOM 160 CA ILE A 314 37.306 69.358 36.686 1.00 17.17 C ATOM 161 C ILE A 314 36.408 69.994 35.646 1.00 18.24 C ATOM 162 O ILE A 314 35.572 69.324 35.053 1.00 17.98 O ATOM 163 CB ILE A 314 38.337 68.417 36.026 1.00 16.53 C ATOM 164 CG1 ILE A 314 39.247 67.779 37.079 1.00 15.75 C ATOM 165 CG2 ILE A 314 39.166 69.167 34.989 1.00 17.70 C ATOM 166 CD1 ILE A 314 38.731 66.480 37.638 1.00 17.81 C ATOM 167 H ILE A 314 35.793 67.934 37.264 1.00 0.00 H ATOM 168 N VAL A 315 36.571 71.290 35.432 1.00 19.92 N ATOM 169 CA VAL A 315 35.810 71.969 34.398 1.00 21.33 C ATOM 170 C VAL A 315 36.764 72.346 33.283 1.00 23.13 C ATOM 171 O VAL A 315 37.720 73.089 33.490 1.00 23.79 O ATOM 172 CB VAL A 315 35.072 73.193 34.951 1.00 23.66 C ATOM 173 CG1 VAL A 315 34.227 73.836 33.857 1.00 31.53 C ATOM 174 CG2 VAL A 315 34.201 72.791 36.131 1.00 21.84 C ATOM 175 H VAL A 315 37.250 71.827 36.009 1.00 0.00 H ATOM 176 N ILE A 316 36.506 71.801 32.100 1.00 22.36 N ATOM 177 CA ILE A 316 37.308 72.097 30.929 1.00 23.60 C ATOM 178 C ILE A 316 36.504 72.981 29.988 1.00 25.69 C ATOM 179 O ILE A 316 35.420 72.605 29.547 1.00 25.91 O ATOM 180 CB ILE A 316 37.760 70.811 30.214 1.00 22.76 C ATOM 181 CG1 ILE A 316 38.673 69.979 31.118 1.00 23.91 C ATOM 182 CG2 ILE A 316 38.497 71.148 28.918 1.00 24.42 C ATOM 183 CD1 ILE A 316 38.862 68.562 30.640 1.00 25.65 C ATOM 184 H ILE A 316 35.706 71.143 32.011 1.00 0.00 H ATOM 185 N HIS A 317 37.029 74.174 29.716 1.00 39.61 N ATOM 186 CA HIS A 317 36.399 75.119 28.796 1.00 42.81 C ATOM 187 C HIS A 317 37.070 75.016 27.435 1.00 40.92 C ATOM 188 O HIS A 317 38.196 75.481 27.265 1.00 39.30 O ATOM 189 CB HIS A 317 36.506 76.555 29.320 1.00 39.18 C ATOM 190 CG HIS A 317 35.967 76.742 30.704 1.00 41.80 C ATOM 191 ND1 HIS A 317 34.618 76.833 30.973 1.00 46.32 N ATOM 192 CD2 HIS A 317 36.597 76.873 31.896 1.00 43.42 C ATOM 193 CE1 HIS A 317 34.440 77.002 32.271 1.00 49.00 C ATOM 194 NE2 HIS A 317 35.624 77.031 32.854 1.00 48.67 N ATOM 195 H HIS A 317 37.922 74.444 30.176 1.00 0.00 H ATOM 196 N ARG A 318 36.379 74.423 26.464 1.00 27.04 N ATOM 197 CA ARG A 318 37.020 74.049 25.203 1.00 28.65 C ATOM 198 C ARG A 318 36.362 74.607 23.946 1.00 29.58 C ATOM 199 O ARG A 318 36.774 74.260 22.846 1.00 26.68 O ATOM 200 CB ARG A 318 37.069 72.527 25.085 1.00 20.24 C ATOM 201 CG ARG A 318 35.727 71.846 25.304 1.00 27.28 C ATOM 202 CD ARG A 318 35.246 71.135 24.059 1.00 31.30 C ATOM 203 NE ARG A 318 34.031 70.365 24.323 1.00 35.82 N ATOM 204 CZ ARG A 318 33.773 69.156 23.828 1.00 35.36 C ATOM 205 NH1 ARG A 318 34.637 68.549 23.023 1.00 41.47 N ATOM 206 NH2 ARG A 318 32.639 68.549 24.142 1.00 24.15 N ATOM 207 HE ARG A 318 33.315 70.794 24.944 1.00 0.00 H ATOM 208 HH12 ARG A 318 34.420 67.605 22.645 1.00 0.00 H ATOM 209 HH11 ARG A 318 35.530 69.018 22.771 1.00 0.00 H ATOM 210 HH22 ARG A 318 32.431 67.605 23.759 1.00 0.00 H ATOM 211 HH21 ARG A 318 31.956 69.016 24.772 1.00 0.00 H ATOM 212 H ARG A 318 35.368 74.222 26.604 1.00 0.00 H ATOM 213 N GLY A 319 35.351 75.458 24.092 1.00 24.06 N ATOM 214 CA GLY A 319 34.646 75.980 22.930 1.00 26.26 C ATOM 215 C GLY A 319 34.188 74.875 21.990 1.00 27.91 C ATOM 216 O GLY A 319 33.407 74.009 22.380 1.00 25.41 O ATOM 217 H GLY A 319 35.061 75.754 25.046 1.00 0.00 H ATOM 218 N SER A 320 34.676 74.899 20.751 1.00 26.50 N ATOM 219 CA SER A 320 34.334 73.868 19.772 1.00 26.86 C ATOM 220 C SER A 320 35.581 73.160 19.245 1.00 26.13 C ATOM 221 O SER A 320 35.759 73.015 18.036 1.00 27.63 O ATOM 222 CB SER A 320 33.544 74.473 18.607 1.00 29.63 C ATOM 223 OG SER A 320 32.269 74.920 19.033 1.00 30.48 O ATOM 224 HG SER A 320 31.758 74.155 19.400 1.00 0.00 H ATOM 225 H SER A 320 35.316 75.670 20.473 1.00 0.00 H ATOM 226 N THR A 321 36.442 72.724 20.159 1.00 27.68 N ATOM 227 CA THR A 321 37.597 71.904 19.799 1.00 31.49 C ATOM 228 C THR A 321 37.587 70.634 20.644 1.00 30.31 C ATOM 229 O THR A 321 36.797 70.518 21.576 1.00 20.66 O ATOM 230 CB THR A 321 38.930 72.663 20.000 1.00 27.35 C ATOM 231 OG1 THR A 321 39.987 71.974 19.319 1.00 30.37 O ATOM 232 CG2 THR A 321 39.286 72.798 21.483 1.00 29.67 C ATOM 233 HG1 THR A 321 40.072 71.058 19.685 1.00 0.00 H ATOM 234 H THR A 321 36.290 72.973 21.157 1.00 0.00 H ATOM 235 N GLY A 322 38.455 69.685 20.310 1.00 25.55 N ATOM 236 CA GLY A 322 38.578 68.457 21.075 1.00 24.73 C ATOM 237 C GLY A 322 39.051 68.690 22.500 1.00 23.16 C ATOM 238 O GLY A 322 39.653 69.716 22.802 1.00 20.82 O ATOM 239 H GLY A 322 39.063 69.826 19.478 1.00 0.00 H ATOM 240 N LEU A 323 38.780 67.729 23.377 1.00 19.10 N ATOM 241 CA LEU A 323 39.172 67.825 24.780 1.00 16.57 C ATOM 242 C LEU A 323 40.652 67.526 25.025 1.00 18.47 C ATOM 243 O LEU A 323 41.202 67.912 26.054 1.00 17.46 O ATOM 244 CB LEU A 323 38.317 66.876 25.618 1.00 13.94 C ATOM 245 CG LEU A 323 36.841 67.265 25.717 1.00 18.71 C ATOM 246 CD1 LEU A 323 36.017 66.123 26.282 1.00 16.62 C ATOM 247 CD2 LEU A 323 36.694 68.510 26.575 1.00 39.36 C ATOM 248 H LEU A 323 38.272 66.881 23.053 1.00 0.00 H ATOM 249 N GLY A 324 41.285 66.822 24.093 1.00 14.77 N ATOM 250 CA GLY A 324 42.708 66.556 24.181 1.00 15.62 C ATOM 251 C GLY A 324 43.098 65.413 25.106 1.00 18.59 C ATOM 252 O GLY A 324 44.129 65.472 25.778 1.00 13.92 O ATOM 253 H GLY A 324 40.748 66.453 23.282 1.00 0.00 H ATOM 254 N PHE A 325 42.282 64.366 25.153 1.00 16.74 N ATOM 255 CA PHE A 325 42.693 63.153 25.850 1.00 14.49 C ATOM 256 C PHE A 325 41.973 61.943 25.294 1.00 16.77 C ATOM 257 O PHE A 325 40.972 62.065 24.590 1.00 16.49 O ATOM 258 CB PHE A 325 42.474 63.272 27.366 1.00 11.83 C ATOM 259 CG PHE A 325 41.031 63.336 27.804 1.00 13.51 C ATOM 260 CD1 PHE A 325 40.337 62.179 28.115 1.00 13.75 C ATOM 261 CD2 PHE A 325 40.390 64.554 27.963 1.00 13.18 C ATOM 262 CE1 PHE A 325 39.021 62.233 28.545 1.00 14.22 C ATOM 263 CE2 PHE A 325 39.071 64.610 28.398 1.00 11.30 C ATOM 264 CZ PHE A 325 38.391 63.454 28.685 1.00 14.20 C ATOM 265 H PHE A 325 41.350 64.411 24.693 1.00 0.00 H ATOM 266 N ASN A 326 42.522 60.772 25.590 1.00 13.25 N ATOM 267 CA ASN A 326 41.966 59.517 25.115 1.00 14.25 C ATOM 268 C ASN A 326 41.467 58.698 26.286 1.00 13.73 C ATOM 269 O ASN A 326 41.981 58.816 27.397 1.00 13.06 O ATOM 270 CB ASN A 326 43.006 58.729 24.328 1.00 18.65 C ATOM 271 CG ASN A 326 43.174 59.253 22.926 1.00 23.85 C ATOM 272 OD1 ASN A 326 42.579 58.735 21.983 1.00 40.26 O ATOM 273 ND2 ASN A 326 43.967 60.300 22.780 1.00 28.26 N ATOM 274 HD22 ASN A 326 44.450 60.705 23.607 1.00 0.00 H ATOM 275 HD21 ASN A 326 44.108 60.719 21.838 1.00 0.00 H ATOM 276 H ASN A 326 43.378 60.752 26.181 1.00 0.00 H ATOM 277 N ILE A 327 40.458 57.874 26.022 1.00 17.90 N ATOM 278 CA ILE A 327 39.881 57.010 27.034 1.00 15.07 C ATOM 279 C ILE A 327 39.974 55.566 26.587 1.00 19.31 C ATOM 280 O ILE A 327 39.903 55.269 25.392 1.00 19.83 O ATOM 281 CB ILE A 327 38.414 57.372 27.319 1.00 16.66 C ATOM 282 CG1 ILE A 327 37.596 57.334 26.022 1.00 19.27 C ATOM 283 CG2 ILE A 327 38.328 58.735 27.976 1.00 18.58 C ATOM 284 CD1 ILE A 327 36.105 57.323 26.239 1.00 30.59 C ATOM 285 H ILE A 327 40.069 57.848 25.058 1.00 0.00 H ATOM 286 N VAL A 328 40.113 54.675 27.562 1.00 16.39 N ATOM 287 CA VAL A 328 39.996 53.251 27.328 1.00 18.14 C ATOM 288 C VAL A 328 38.822 52.725 28.136 1.00 19.67 C ATOM 289 O VAL A 328 38.511 53.235 29.214 1.00 17.43 O ATOM 290 CB VAL A 328 41.293 52.502 27.691 1.00 18.49 C ATOM 291 CG1 VAL A 328 42.431 52.953 26.796 1.00 27.68 C ATOM 292 CG2 VAL A 328 41.641 52.709 29.153 1.00 18.56 C ATOM 293 H VAL A 328 40.313 55.011 28.526 1.00 0.00 H ATOM 294 N GLY A 329 38.165 51.706 27.605 1.00 21.12 N ATOM 295 CA GLY A 329 37.098 51.042 28.319 1.00 22.03 C ATOM 296 C GLY A 329 36.732 49.748 27.638 1.00 24.79 C ATOM 297 O GLY A 329 37.437 49.297 26.735 1.00 27.60 O ATOM 298 H GLY A 329 38.422 51.376 26.653 1.00 0.00 H ATOM 299 N THR A 330 35.627 49.155 28.073 1.00 41.75 N ATOM 300 CA THR A 330 35.164 47.894 27.516 1.00 46.59 C ATOM 301 C THR A 330 33.725 48.041 27.043 1.00 48.07 C ATOM 302 O THR A 330 33.066 49.033 27.352 1.00 38.67 O ATOM 303 CB THR A 330 35.255 46.758 28.547 1.00 38.62 C ATOM 304 OG1 THR A 330 34.408 47.059 29.664 1.00 41.62 O ATOM 305 CG2 THR A 330 36.689 46.589 29.034 1.00 35.60 C ATOM 306 HG1 THR A 330 34.467 46.327 30.328 1.00 0.00 H ATOM 307 H THR A 330 35.077 49.604 28.833 1.00 0.00 H ATOM 308 N GLU A 331 33.239 47.058 26.291 1.00 57.51 N ATOM 309 CA GLU A 331 31.843 47.059 25.869 1.00 55.33 C ATOM 310 C GLU A 331 31.000 46.746 27.102 1.00 57.34 C ATOM 311 O GLU A 331 29.853 47.177 27.217 1.00 55.44 O ATOM 312 CB GLU A 331 31.577 46.041 24.747 1.00 58.51 C ATOM 313 H GLU A 331 33.863 46.278 26.000 1.00 0.00 H ATOM 314 N ASP A 332 31.601 45.999 28.026 1.00 61.84 N ATOM 315 CA ASP A 332 30.980 45.636 29.293 1.00 59.65 C ATOM 316 C ASP A 332 30.671 46.717 30.249 1.00 47.68 C ATOM 317 O ASP A 332 29.911 46.512 31.142 1.00 47.94 O ATOM 318 CB ASP A 332 31.838 44.640 30.071 1.00 71.18 C ATOM 319 CG ASP A 332 32.509 43.666 29.212 1.00 81.44 C ATOM 320 OD1 ASP A 332 32.912 42.612 29.733 1.00 84.56 O ATOM 321 OD2 ASP A 332 32.652 43.942 28.012 1.00 85.71 O ATOM 322 H ASP A 332 32.564 45.657 27.833 1.00 0.00 H ATOM 323 N GLY A 333 31.334 47.848 30.152 1.00 42.07 N ATOM 324 CA GLY A 333 31.127 48.876 31.155 1.00 49.83 C ATOM 325 C GLY A 333 31.891 48.778 32.455 1.00 44.51 C ATOM 326 O GLY A 333 31.370 49.061 33.472 1.00 50.66 O ATOM 327 H GLY A 333 31.998 48.004 29.367 1.00 0.00 H ATOM 328 N GLU A 334 33.136 48.395 32.396 1.00 40.17 N ATOM 329 CA GLU A 334 33.916 48.123 33.575 1.00 38.89 C ATOM 330 C GLU A 334 34.681 49.372 34.052 1.00 39.76 C ATOM 331 O GLU A 334 35.601 49.275 34.822 1.00 35.08 O ATOM 332 CB GLU A 334 34.940 47.038 33.272 1.00 44.48 C ATOM 333 CG GLU A 334 34.505 45.577 33.371 1.00 57.93 C ATOM 334 CD GLU A 334 34.976 44.763 32.170 1.00 69.13 C ATOM 335 OE1 GLU A 334 36.158 44.344 32.073 1.00 64.52 O ATOM 336 OE2 GLU A 334 34.155 44.555 31.284 1.00 73.83 O ATOM 337 H GLU A 334 33.582 48.282 31.463 1.00 0.00 H ATOM 338 N GLY A 335 34.296 50.534 33.530 1.00 21.58 N ATOM 339 CA GLY A 335 34.995 51.772 33.828 1.00 19.34 C ATOM 340 C GLY A 335 35.569 52.444 32.596 1.00 18.38 C ATOM 341 O GLY A 335 36.002 51.775 31.657 1.00 19.20 O ATOM 342 H GLY A 335 33.474 50.556 32.893 1.00 0.00 H ATOM 343 N ILE A 336 35.558 53.775 32.605 1.00 16.95 N ATOM 344 CA ILE A 336 36.163 54.585 31.553 1.00 15.89 C ATOM 345 C ILE A 336 37.371 55.288 32.150 1.00 14.39 C ATOM 346 O ILE A 336 37.232 56.027 33.125 1.00 14.01 O ATOM 347 CB ILE A 336 35.148 55.610 30.976 1.00 15.82 C ATOM 348 CG1 ILE A 336 33.921 54.895 30.401 1.00 19.16 C ATOM 349 CG2 ILE A 336 35.801 56.500 29.922 1.00 19.34 C ATOM 350 CD1 ILE A 336 34.218 53.967 29.227 1.00 22.86 C ATOM 351 H ILE A 336 35.096 54.261 33.400 1.00 0.00 H ATOM 352 N PHE A 337 38.550 55.065 31.573 1.00 14.30 N ATOM 353 CA PHE A 337 39.793 55.602 32.134 1.00 13.21 C ATOM 354 C PHE A 337 40.568 56.446 31.131 1.00 12.62 C ATOM 355 O PHE A 337 40.550 56.169 29.933 1.00 14.74 O ATOM 356 CB PHE A 337 40.688 54.462 32.627 1.00 13.93 C ATOM 357 CG PHE A 337 40.013 53.545 33.601 1.00 14.87 C ATOM 358 CD1 PHE A 337 39.305 52.440 33.157 1.00 16.46 C ATOM 359 CD2 PHE A 337 40.082 53.788 34.962 1.00 14.45 C ATOM 360 CE1 PHE A 337 38.674 51.591 34.054 1.00 17.63 C ATOM 361 CE2 PHE A 337 39.450 52.945 35.862 1.00 15.59 C ATOM 362 CZ PHE A 337 38.747 51.846 35.408 1.00 17.18 C ATOM 363 H PHE A 337 38.590 54.496 30.703 1.00 0.00 H ATOM 364 N ILE A 338 41.245 57.475 31.631 1.00 11.94 N ATOM 365 CA ILE A 338 42.124 58.299 30.800 1.00 12.61 C ATOM 366 C ILE A 338 43.431 57.554 30.557 1.00 15.68 C ATOM 367 O ILE A 338 44.110 57.158 31.497 1.00 11.58 O ATOM 368 CB ILE A 338 42.392 59.665 31.451 1.00 12.12 C ATOM 369 CG1 ILE A 338 41.086 60.453 31.601 1.00 13.34 C ATOM 370 CG2 ILE A 338 43.427 60.452 30.638 1.00 10.10 C ATOM 371 CD1 ILE A 338 41.258 61.843 32.220 1.00 14.91 C ATOM 372 H ILE A 338 41.147 57.701 32.641 1.00 0.00 H ATOM 373 N SER A 339 43.787 57.380 29.288 1.00 15.20 N ATOM 374 CA SER A 339 44.997 56.648 28.924 1.00 14.23 C ATOM 375 C SER A 339 46.115 57.570 28.462 1.00 19.95 C ATOM 376 O SER A 339 47.288 57.204 28.484 1.00 18.50 O ATOM 377 CB SER A 339 44.691 55.650 27.814 1.00 16.12 C ATOM 378 OG SER A 339 44.195 56.334 26.677 1.00 16.35 O ATOM 379 HG SER A 339 43.998 55.680 25.960 1.00 0.00 H ATOM 380 H SER A 339 43.188 57.775 28.535 1.00 0.00 H ATOM 381 N PHE A 340 45.745 58.764 28.024 1.00 15.87 N ATOM 382 CA PHE A 340 46.682 59.644 27.342 1.00 16.64 C ATOM 383 C PHE A 340 46.147 61.063 27.398 1.00 16.42 C ATOM 384 O PHE A 340 44.967 61.293 27.137 1.00 14.27 O ATOM 385 CB PHE A 340 46.883 59.180 25.891 1.00 17.96 C ATOM 386 CG PHE A 340 47.706 60.118 25.041 1.00 19.18 C ATOM 387 CD1 PHE A 340 47.118 61.203 24.406 1.00 20.44 C ATOM 388 CD2 PHE A 340 49.059 59.891 24.844 1.00 19.85 C ATOM 389 CE1 PHE A 340 47.870 62.060 23.612 1.00 21.31 C ATOM 390 CE2 PHE A 340 49.815 60.743 24.053 1.00 20.29 C ATOM 391 CZ PHE A 340 49.219 61.826 23.435 1.00 17.74 C ATOM 392 H PHE A 340 44.765 59.079 28.171 1.00 0.00 H ATOM 393 N ILE A 341 47.012 62.011 27.736 1.00 13.06 N ATOM 394 CA ILE A 341 46.648 63.419 27.696 1.00 12.10 C ATOM 395 C ILE A 341 47.588 64.136 26.749 1.00 16.17 C ATOM 396 O ILE A 341 48.808 64.047 26.880 1.00 14.99 O ATOM 397 CB ILE A 341 46.669 64.032 29.095 1.00 11.81 C ATOM 398 CG1 ILE A 341 45.628 63.322 29.967 1.00 12.89 C ATOM 399 CG2 ILE A 341 46.401 65.535 29.031 1.00 15.54 C ATOM 400 CD1 ILE A 341 45.591 63.780 31.388 1.00 11.79 C ATOM 401 H ILE A 341 47.971 61.742 28.036 1.00 0.00 H ATOM 402 N LEU A 342 46.997 64.846 25.794 1.00 16.04 N ATOM 403 CA LEU A 342 47.744 65.541 24.756 1.00 14.58 C ATOM 404 C LEU A 342 48.420 66.787 25.306 1.00 17.29 C ATOM 405 O LEU A 342 47.772 67.637 25.902 1.00 14.50 O ATOM 406 CB LEU A 342 46.814 65.923 23.607 1.00 15.48 C ATOM 407 CG LEU A 342 47.444 66.699 22.452 1.00 17.24 C ATOM 408 CD1 LEU A 342 48.490 65.859 21.728 1.00 21.52 C ATOM 409 CD2 LEU A 342 46.358 67.167 21.498 1.00 21.17 C ATOM 410 H LEU A 342 45.959 64.908 25.788 1.00 0.00 H ATOM 411 N ALA A 343 49.725 66.897 25.092 1.00 18.18 N ATOM 412 CA ALA A 343 50.457 68.094 25.487 1.00 18.80 C ATOM 413 C ALA A 343 49.853 69.323 24.816 1.00 19.38 C ATOM 414 O ALA A 343 49.724 69.368 23.595 1.00 18.12 O ATOM 415 CB ALA A 343 51.936 67.963 25.126 1.00 20.83 C ATOM 416 H ALA A 343 50.235 66.115 24.634 1.00 0.00 H ATOM 417 N GLY A 344 49.470 70.308 25.622 1.00 20.12 N ATOM 418 CA GLY A 344 48.958 71.562 25.103 1.00 19.64 C ATOM 419 C GLY A 344 47.477 71.592 24.772 1.00 20.10 C ATOM 420 O GLY A 344 46.945 72.644 24.413 1.00 19.44 O ATOM 421 H GLY A 344 49.539 70.176 26.651 1.00 0.00 H ATOM 422 N GLY A 345 46.807 70.448 24.884 1.00 16.49 N ATOM 423 CA GLY A 345 45.378 70.376 24.633 1.00 19.61 C ATOM 424 C GLY A 345 44.593 70.873 25.834 1.00 20.08 C ATOM 425 O GLY A 345 45.176 71.128 26.879 1.00 16.99 O ATOM 426 H GLY A 345 47.318 69.585 25.158 1.00 0.00 H ATOM 427 N PRO A 346 43.267 71.028 25.689 1.00 18.47 N ATOM 428 CA PRO A 346 42.463 71.576 26.790 1.00 17.00 C ATOM 429 C PRO A 346 42.572 70.809 28.111 1.00 16.52 C ATOM 430 O PRO A 346 42.626 71.442 29.169 1.00 17.49 O ATOM 431 CB PRO A 346 41.038 71.506 26.233 1.00 21.25 C ATOM 432 CG PRO A 346 41.223 71.679 24.772 1.00 22.64 C ATOM 433 CD PRO A 346 42.473 70.899 24.454 1.00 17.01 C ATOM 434 N ALA A 347 42.602 69.481 28.066 1.00 15.31 N ATOM 435 CA ALA A 347 42.714 68.703 29.301 1.00 16.13 C ATOM 436 C ALA A 347 44.036 69.009 30.002 1.00 15.68 C ATOM 437 O ALA A 347 44.098 69.117 31.226 1.00 17.89 O ATOM 438 CB ALA A 347 42.600 67.221 29.016 1.00 17.26 C ATOM 439 H ALA A 347 42.546 68.993 27.150 1.00 0.00 H ATOM 440 N ASP A 348 45.094 69.153 29.215 1.00 16.67 N ATOM 441 CA ASP A 348 46.409 69.454 29.763 1.00 15.19 C ATOM 442 C ASP A 348 46.419 70.848 30.386 1.00 17.06 C ATOM 443 O ASP A 348 46.987 71.061 31.461 1.00 19.80 O ATOM 444 CB ASP A 348 47.473 69.348 28.670 1.00 17.57 C ATOM 445 CG ASP A 348 48.866 69.633 29.182 1.00 18.89 C ATOM 446 OD1 ASP A 348 49.111 69.426 30.389 1.00 17.94 O ATOM 447 OD2 ASP A 348 49.714 70.057 28.375 1.00 19.04 O ATOM 448 H ASP A 348 44.982 69.049 28.186 1.00 0.00 H ATOM 449 N LEU A 349 45.783 71.795 29.706 1.00 23.60 N ATOM 450 CA LEU A 349 45.765 73.179 30.166 1.00 24.06 C ATOM 451 C LEU A 349 44.979 73.311 31.468 1.00 23.75 C ATOM 452 O LEU A 349 45.239 74.217 32.256 1.00 28.63 O ATOM 453 CB LEU A 349 45.182 74.094 29.087 1.00 22.35 C ATOM 454 CG LEU A 349 45.955 74.118 27.763 1.00 30.89 C ATOM 455 CD1 LEU A 349 45.252 74.994 26.735 1.00 48.60 C ATOM 456 CD2 LEU A 349 47.387 74.580 27.959 1.00 28.08 C ATOM 457 H LEU A 349 45.287 71.544 28.827 1.00 0.00 H ATOM 458 N SER A 350 44.036 72.402 31.709 1.00 22.60 N ATOM 459 CA SER A 350 43.322 72.382 32.986 1.00 26.03 C ATOM 460 C SER A 350 44.289 72.070 34.123 1.00 33.09 C ATOM 461 O SER A 350 44.158 72.600 35.226 1.00 33.47 O ATOM 462 CB SER A 350 42.192 71.352 32.979 1.00 22.15 C ATOM 463 OG SER A 350 42.643 70.090 33.460 1.00 30.78 O ATOM 464 HG SER A 350 43.375 69.760 32.881 1.00 0.00 H ATOM 465 H SER A 350 43.804 71.697 30.980 1.00 0.00 H ATOM 466 N GLY A 351 45.258 71.202 33.845 1.00 29.57 N ATOM 467 CA GLY A 351 46.230 70.784 34.840 1.00 23.96 C ATOM 468 C GLY A 351 45.630 69.985 35.984 1.00 28.74 C ATOM 469 O GLY A 351 46.208 69.936 37.071 1.00 37.37 O ATOM 470 H GLY A 351 45.322 70.810 32.884 1.00 0.00 H ATOM 471 N GLU A 352 44.487 69.346 35.742 1.00 21.09 N ATOM 472 CA GLU A 352 43.759 68.659 36.813 1.00 18.15 C ATOM 473 C GLU A 352 43.344 67.223 36.484 1.00 25.76 C ATOM 474 O GLU A 352 42.633 66.590 37.267 1.00 25.61 O ATOM 475 CB GLU A 352 42.513 69.461 37.180 1.00 23.36 C ATOM 476 CG GLU A 352 42.823 70.843 37.749 1.00 34.74 C ATOM 477 CD GLU A 352 41.625 71.778 37.716 1.00 45.82 C ATOM 478 OE1 GLU A 352 40.493 71.317 37.982 1.00 37.22 O ATOM 479 OE2 GLU A 352 41.816 72.978 37.421 1.00 54.61 O ATOM 480 H GLU A 352 44.104 69.334 34.775 1.00 0.00 H ATOM 481 N LEU A 353 43.775 66.717 35.334 1.00 18.10 N ATOM 482 CA LEU A 353 43.503 65.330 34.949 1.00 13.83 C ATOM 483 C LEU A 353 44.809 64.590 34.708 1.00 16.62 C ATOM 484 O LEU A 353 45.812 65.201 34.340 1.00 16.77 O ATOM 485 CB LEU A 353 42.632 65.282 33.691 1.00 15.09 C ATOM 486 CG LEU A 353 41.188 65.745 33.854 1.00 20.49 C ATOM 487 CD1 LEU A 353 40.552 65.940 32.491 1.00 20.86 C ATOM 488 CD2 LEU A 353 40.406 64.741 34.685 1.00 14.15 C ATOM 489 H LEU A 353 44.321 67.323 34.689 1.00 0.00 H ATOM 490 N ARG A 354 44.805 63.275 34.918 1.00 11.73 N ATOM 491 CA ARG A 354 45.993 62.478 34.639 1.00 15.19 C ATOM 492 C ARG A 354 45.648 61.065 34.177 1.00 11.79 C ATOM 493 O ARG A 354 44.552 60.560 34.434 1.00 11.16 O ATOM 494 CB ARG A 354 46.894 62.415 35.876 1.00 19.65 C ATOM 495 CG ARG A 354 46.459 61.419 36.933 1.00 21.69 C ATOM 496 CD ARG A 354 47.087 61.753 38.281 1.00 29.58 C ATOM 497 NE ARG A 354 48.517 62.026 38.179 1.00 32.74 N ATOM 498 CZ ARG A 354 49.176 62.890 38.949 1.00 37.78 C ATOM 499 NH1 ARG A 354 50.478 63.068 38.774 1.00 40.78 N ATOM 500 NH2 ARG A 354 48.543 63.580 39.893 1.00 36.70 N ATOM 501 HE ARG A 354 49.058 61.511 37.456 1.00 0.00 H ATOM 502 HH12 ARG A 354 50.996 63.742 39.373 1.00 0.00 H ATOM 503 HH11 ARG A 354 50.981 62.534 38.037 1.00 0.00 H ATOM 504 HH22 ARG A 354 49.069 64.252 40.488 1.00 0.00 H ATOM 505 HH21 ARG A 354 47.521 63.448 40.037 1.00 0.00 H ATOM 506 H ARG A 354 43.948 62.813 35.284 1.00 0.00 H ATOM 507 N LYS A 355 46.594 60.447 33.477 1.00 12.69 N ATOM 508 CA LYS A 355 46.489 59.048 33.095 1.00 12.82 C ATOM 509 C LYS A 355 46.146 58.215 34.324 1.00 12.16 C ATOM 510 O LYS A 355 46.798 58.331 35.363 1.00 12.19 O ATOM 511 CB LYS A 355 47.798 58.570 32.466 1.00 17.73 C ATOM 512 CG LYS A 355 47.806 57.132 31.996 1.00 20.18 C ATOM 513 CD LYS A 355 49.243 56.608 31.928 1.00 28.73 C ATOM 514 CE LYS A 355 49.486 55.792 30.682 1.00 44.39 C ATOM 515 NZ LYS A 355 50.809 55.109 30.720 1.00 56.65 N ATOM 516 HZ1 LYS A 355 51.563 55.821 30.798 1.00 0.00 H ATOM 517 HZ2 LYS A 355 50.846 54.472 31.541 1.00 0.00 H ATOM 518 HZ3 LYS A 355 50.939 54.559 29.847 1.00 0.00 H ATOM 519 H LYS A 355 47.439 60.983 33.193 1.00 0.00 H ATOM 520 N GLY A 356 45.122 57.378 34.211 1.00 12.02 N ATOM 521 CA GLY A 356 44.714 56.525 35.313 1.00 11.94 C ATOM 522 C GLY A 356 43.490 57.029 36.051 1.00 11.03 C ATOM 523 O GLY A 356 42.966 56.353 36.933 1.00 11.09 O ATOM 524 H GLY A 356 44.600 57.332 33.313 1.00 0.00 H ATOM 525 N ASP A 357 43.047 58.234 35.706 1.00 10.63 N ATOM 526 CA ASP A 357 41.796 58.758 36.232 1.00 10.28 C ATOM 527 C ASP A 357 40.639 57.996 35.612 1.00 10.74 C ATOM 528 O ASP A 357 40.615 57.785 34.396 1.00 11.49 O ATOM 529 CB ASP A 357 41.640 60.253 35.925 1.00 10.14 C ATOM 530 CG ASP A 357 42.373 61.151 36.909 1.00 12.88 C ATOM 531 OD1 ASP A 357 42.654 60.719 38.051 1.00 11.64 O ATOM 532 OD2 ASP A 357 42.646 62.316 36.539 1.00 11.60 O ATOM 533 H ASP A 357 43.606 58.813 35.047 1.00 0.00 H ATOM 534 N GLN A 358 39.687 57.576 36.436 1.00 10.87 N ATOM 535 CA GLN A 358 38.419 57.089 35.923 1.00 11.60 C ATOM 536 C GLN A 358 37.488 58.278 35.760 1.00 12.67 C ATOM 537 O GLN A 358 37.417 59.148 36.632 1.00 11.15 O ATOM 538 CB GLN A 358 37.792 56.043 36.856 1.00 12.34 C ATOM 539 CG GLN A 358 36.511 55.424 36.312 1.00 13.59 C ATOM 540 CD GLN A 358 35.840 54.476 37.299 1.00 16.09 C ATOM 541 OE1 GLN A 358 36.366 54.208 38.382 1.00 16.33 O ATOM 542 NE2 GLN A 358 34.672 53.963 36.925 1.00 17.88 N ATOM 543 HE22 GLN A 358 34.264 54.216 36.002 1.00 0.00 H ATOM 544 HE21 GLN A 358 34.166 53.308 37.555 1.00 0.00 H ATOM 545 H GLN A 358 39.851 57.596 37.463 1.00 0.00 H ATOM 546 N ILE A 359 36.788 58.314 34.632 1.00 12.13 N ATOM 547 CA ILE A 359 35.764 59.315 34.390 1.00 12.44 C ATOM 548 C ILE A 359 34.459 58.828 34.998 1.00 13.37 C ATOM 549 O ILE A 359 33.850 57.888 34.490 1.00 15.51 O ATOM 550 CB ILE A 359 35.584 59.588 32.884 1.00 13.04 C ATOM 551 CG1 ILE A 359 36.917 59.975 32.236 1.00 13.00 C ATOM 552 CG2 ILE A 359 34.532 60.670 32.658 1.00 13.59 C ATOM 553 CD1 ILE A 359 37.518 61.267 32.748 1.00 12.61 C ATOM 554 H ILE A 359 36.979 57.602 33.898 1.00 0.00 H ATOM 555 N LEU A 360 34.026 59.460 36.082 1.00 13.34 N ATOM 556 CA LEU A 360 32.799 59.035 36.750 1.00 14.57 C ATOM 557 C LEU A 360 31.568 59.630 36.088 1.00 15.70 C ATOM 558 O LEU A 360 30.539 58.963 35.989 1.00 17.16 O ATOM 559 CB LEU A 360 32.831 59.414 38.230 1.00 14.53 C ATOM 560 CG LEU A 360 34.033 58.874 39.011 1.00 13.70 C ATOM 561 CD1 LEU A 360 33.854 59.110 40.502 1.00 16.62 C ATOM 562 CD2 LEU A 360 34.284 57.396 38.730 1.00 14.02 C ATOM 563 H LEU A 360 34.566 60.265 36.459 1.00 0.00 H ATOM 564 N SER A 361 31.670 60.878 35.643 1.00 15.40 N ATOM 565 CA SER A 361 30.555 61.531 34.972 1.00 17.72 C ATOM 566 C SER A 361 30.991 62.720 34.125 1.00 16.44 C ATOM 567 O SER A 361 32.071 63.281 34.318 1.00 15.25 O ATOM 568 CB SER A 361 29.519 61.995 35.998 1.00 18.07 C ATOM 569 OG SER A 361 30.064 62.981 36.861 1.00 17.21 O ATOM 570 HG SER A 361 30.354 63.762 36.326 1.00 0.00 H ATOM 571 H SER A 361 32.561 61.397 35.776 1.00 0.00 H ATOM 572 N VAL A 362 30.147 63.082 33.166 1.00 17.40 N ATOM 573 CA VAL A 362 30.360 64.276 32.364 1.00 17.65 C ATOM 574 C VAL A 362 29.059 65.064 32.329 1.00 19.31 C ATOM 575 O VAL A 362 28.022 64.552 31.908 1.00 20.69 O ATOM 576 CB VAL A 362 30.856 63.928 30.943 1.00 17.62 C ATOM 577 CG1 VAL A 362 29.910 62.955 30.257 1.00 20.52 C ATOM 578 CG2 VAL A 362 31.034 65.195 30.109 1.00 18.18 C ATOM 579 H VAL A 362 29.309 62.494 32.983 1.00 0.00 H ATOM 580 N ASN A 363 29.120 66.307 32.794 1.00 19.54 N ATOM 581 CA ASN A 363 27.946 67.181 32.837 1.00 21.46 C ATOM 582 C ASN A 363 26.760 66.501 33.524 1.00 23.76 C ATOM 583 O ASN A 363 25.612 66.636 33.092 1.00 28.18 O ATOM 584 CB ASN A 363 27.557 67.620 31.425 1.00 25.82 C ATOM 585 CG ASN A 363 28.567 68.571 30.813 1.00 26.86 C ATOM 586 OD1 ASN A 363 29.478 69.049 31.492 1.00 25.31 O ATOM 587 ND2 ASN A 363 28.406 68.859 29.528 1.00 30.27 N ATOM 588 HD22 ASN A 363 27.623 68.432 28.994 1.00 0.00 H ATOM 589 HD21 ASN A 363 29.063 69.512 29.055 1.00 0.00 H ATOM 590 H ASN A 363 30.031 66.671 33.139 1.00 0.00 H ATOM 591 N GLY A 364 27.046 65.772 34.595 1.00 22.17 N ATOM 592 CA GLY A 364 26.007 65.118 35.375 1.00 29.66 C ATOM 593 C GLY A 364 25.591 63.754 34.854 1.00 32.76 C ATOM 594 O GLY A 364 24.804 63.054 35.490 1.00 48.90 O ATOM 595 H GLY A 364 28.039 65.665 34.884 1.00 0.00 H ATOM 596 N VAL A 365 26.120 63.374 33.695 1.00 22.91 N ATOM 597 CA VAL A 365 25.802 62.082 33.091 1.00 23.66 C ATOM 598 C VAL A 365 26.719 60.996 33.649 1.00 24.56 C ATOM 599 O VAL A 365 27.921 60.992 33.390 1.00 21.73 O ATOM 600 CB VAL A 365 25.909 62.148 31.560 1.00 27.88 C ATOM 601 CG1 VAL A 365 25.614 60.786 30.936 1.00 26.33 C ATOM 602 CG2 VAL A 365 24.953 63.200 31.013 1.00 41.61 C ATOM 603 H VAL A 365 26.778 64.013 33.205 1.00 0.00 H ATOM 604 N ASP A 366 26.133 60.072 34.405 1.00 23.37 N ATOM 605 CA ASP A 366 26.877 58.987 35.045 1.00 26.55 C ATOM 606 C ASP A 366 27.535 58.074 34.008 1.00 25.62 C ATOM 607 O ASP A 366 26.848 57.474 33.185 1.00 24.30 O ATOM 608 CB ASP A 366 25.928 58.187 35.947 1.00 31.87 C ATOM 609 CG ASP A 366 26.629 57.087 36.721 1.00 25.51 C ATOM 610 OD1 ASP A 366 27.877 57.046 36.730 1.00 22.56 O ATOM 611 OD2 ASP A 366 25.917 56.261 37.339 1.00 31.50 O ATOM 612 H ASP A 366 25.104 60.123 34.547 1.00 0.00 H ATOM 613 N LEU A 367 28.864 57.971 34.056 1.00 20.98 N ATOM 614 CA LEU A 367 29.616 57.147 33.104 1.00 20.10 C ATOM 615 C LEU A 367 30.336 55.965 33.747 1.00 19.85 C ATOM 616 O LEU A 367 31.132 55.292 33.096 1.00 19.73 O ATOM 617 CB LEU A 367 30.657 57.993 32.368 1.00 18.53 C ATOM 618 CG LEU A 367 30.186 59.056 31.381 1.00 20.09 C ATOM 619 CD1 LEU A 367 31.399 59.628 30.676 1.00 18.46 C ATOM 620 CD2 LEU A 367 29.200 58.483 30.378 1.00 25.24 C ATOM 621 H LEU A 367 29.383 58.491 34.792 1.00 0.00 H ATOM 622 N ARG A 368 30.075 55.709 35.021 1.00 20.74 N ATOM 623 CA ARG A 368 30.770 54.629 35.708 1.00 21.53 C ATOM 624 C ARG A 368 30.574 53.291 35.006 1.00 24.80 C ATOM 625 O ARG A 368 31.465 52.445 35.015 1.00 22.69 O ATOM 626 CB ARG A 368 30.296 54.534 37.150 1.00 21.71 C ATOM 627 CG ARG A 368 30.782 55.679 38.023 1.00 20.91 C ATOM 628 CD ARG A 368 30.135 55.626 39.389 1.00 20.05 C ATOM 629 NE ARG A 368 28.682 55.629 39.266 1.00 22.16 N ATOM 630 CZ ARG A 368 27.847 55.038 40.114 1.00 24.28 C ATOM 631 NH1 ARG A 368 28.302 54.402 41.183 1.00 24.54 N ATOM 632 NH2 ARG A 368 26.545 55.097 39.893 1.00 26.42 N ATOM 633 HE ARG A 368 28.269 56.131 38.454 1.00 0.00 H ATOM 634 HH12 ARG A 368 27.637 53.944 41.838 1.00 0.00 H ATOM 635 HH11 ARG A 368 29.325 54.361 41.367 1.00 0.00 H ATOM 636 HH22 ARG A 368 25.884 54.637 40.552 1.00 0.00 H ATOM 637 HH21 ARG A 368 26.181 55.603 39.060 1.00 0.00 H ATOM 638 H ARG A 368 29.372 56.281 35.531 1.00 0.00 H ATOM 639 N ASN A 369 29.410 53.105 34.391 1.00 23.92 N ATOM 640 CA ASN A 369 29.069 51.831 33.770 1.00 26.37 C ATOM 641 C ASN A 369 28.767 51.994 32.283 1.00 27.35 C ATOM 642 O ASN A 369 27.989 51.239 31.707 1.00 30.08 O ATOM 643 CB ASN A 369 27.879 51.204 34.498 1.00 28.92 C ATOM 644 CG ASN A 369 28.161 50.979 35.976 1.00 34.08 C ATOM 645 OD1 ASN A 369 28.906 50.069 36.347 1.00 30.75 O ATOM 646 ND2 ASN A 369 27.576 51.816 36.826 1.00 31.23 N ATOM 647 HD22 ASN A 369 26.955 52.570 36.469 1.00 0.00 H ATOM 648 HD21 ASN A 369 27.739 51.717 37.848 1.00 0.00 H ATOM 649 H ASN A 369 28.726 53.888 34.352 1.00 0.00 H ATOM 650 N ALA A 370 29.402 52.983 31.666 1.00 25.42 N ATOM 651 CA ALA A 370 29.229 53.244 30.240 1.00 26.36 C ATOM 652 C ALA A 370 30.146 52.366 29.397 1.00 27.00 C ATOM 653 O ALA A 370 31.221 51.970 29.846 1.00 25.78 O ATOM 654 CB ALA A 370 29.498 54.706 29.942 1.00 24.44 C ATOM 655 H ALA A 370 30.043 53.591 32.215 1.00 0.00 H ATOM 656 N SER A 371 29.724 52.067 28.172 1.00 29.21 N ATOM 657 CA SER A 371 30.618 51.441 27.208 1.00 30.92 C ATOM 658 C SER A 371 31.605 52.485 26.718 1.00 27.88 C ATOM 659 O SER A 371 31.341 53.688 26.793 1.00 27.97 O ATOM 660 CB SER A 371 29.852 50.853 26.022 1.00 38.65 C ATOM 661 OG SER A 371 29.070 51.849 25.382 1.00 33.81 O ATOM 662 HG SER A 371 28.584 51.446 24.619 1.00 0.00 H ATOM 663 H SER A 371 28.744 52.283 27.899 1.00 0.00 H ATOM 664 N HIS A 372 32.745 52.024 26.224 1.00 29.86 N ATOM 665 CA HIS A 372 33.737 52.922 25.649 1.00 26.49 C ATOM 666 C HIS A 372 33.119 53.835 24.588 1.00 27.35 C ATOM 667 O HIS A 372 33.414 55.030 24.548 1.00 28.93 O ATOM 668 CB HIS A 372 34.899 52.127 25.048 1.00 31.65 C ATOM 669 CG HIS A 372 34.484 50.854 24.372 1.00 51.23 C ATOM 670 ND1 HIS A 372 33.495 50.802 23.416 1.00 50.66 N ATOM 671 CD2 HIS A 372 34.936 49.586 24.517 1.00 49.49 C ATOM 672 CE1 HIS A 372 33.353 49.555 22.998 1.00 44.26 C ATOM 673 NE2 HIS A 372 34.218 48.800 23.647 1.00 36.84 N ATOM 674 H HIS A 372 32.935 51.002 26.247 1.00 0.00 H ATOM 675 N GLU A 373 32.251 53.289 23.743 1.00 30.26 N ATOM 676 CA GLU A 373 31.720 54.059 22.626 1.00 31.56 C ATOM 677 C GLU A 373 30.726 55.112 23.105 1.00 33.01 C ATOM 678 O GLU A 373 30.726 56.235 22.609 1.00 30.14 O ATOM 679 CB GLU A 373 31.056 53.144 21.592 1.00 42.12 C ATOM 680 CG GLU A 373 30.528 53.895 20.370 1.00 61.34 C ATOM 681 CD GLU A 373 29.885 52.982 19.342 1.00 78.43 C ATOM 682 OE1 GLU A 373 30.470 51.922 19.031 1.00 85.97 O ATOM 683 OE2 GLU A 373 28.794 53.328 18.842 1.00 70.08 O ATOM 684 H GLU A 373 31.948 52.304 23.880 1.00 0.00 H ATOM 685 N GLN A 374 29.882 54.758 24.070 1.00 32.34 N ATOM 686 CA GLN A 374 28.853 55.683 24.528 1.00 34.82 C ATOM 687 C GLN A 374 29.485 56.793 25.367 1.00 27.48 C ATOM 688 O GLN A 374 28.994 57.921 25.392 1.00 28.79 O ATOM 689 CB GLN A 374 27.772 54.943 25.324 1.00 48.17 C ATOM 690 CG GLN A 374 26.389 55.602 25.279 1.00 61.48 C ATOM 691 CD GLN A 374 25.811 55.708 23.871 1.00 64.88 C ATOM 692 OE1 GLN A 374 25.276 56.751 23.481 1.00 36.38 O ATOM 693 NE2 GLN A 374 25.903 54.623 23.109 1.00 62.48 N ATOM 694 HE22 GLN A 374 26.362 53.766 23.478 1.00 0.00 H ATOM 695 HE21 GLN A 374 25.516 54.631 22.144 1.00 0.00 H ATOM 696 H GLN A 374 29.957 53.814 24.501 1.00 0.00 H ATOM 697 N ALA A 375 30.581 56.474 26.048 1.00 25.16 N ATOM 698 CA ALA A 375 31.336 57.484 26.785 1.00 22.59 C ATOM 699 C ALA A 375 31.964 58.482 25.815 1.00 25.01 C ATOM 700 O ALA A 375 31.990 59.682 26.074 1.00 21.36 O ATOM 701 CB ALA A 375 32.409 56.834 27.640 1.00 22.04 C ATOM 702 H ALA A 375 30.907 55.486 26.056 1.00 0.00 H ATOM 703 N ALA A 376 32.477 57.975 24.700 1.00 23.67 N ATOM 704 CA ALA A 376 33.054 58.828 23.669 1.00 24.04 C ATOM 705 C ALA A 376 32.004 59.795 23.132 1.00 25.18 C ATOM 706 O ALA A 376 32.267 60.991 22.975 1.00 24.64 O ATOM 707 CB ALA A 376 33.630 57.984 22.543 1.00 25.88 C ATOM 708 H ALA A 376 32.467 56.945 24.559 1.00 0.00 H ATOM 709 N ILE A 377 30.814 59.271 22.858 1.00 27.05 N ATOM 710 CA ILE A 377 29.714 60.081 22.355 1.00 28.55 C ATOM 711 C ILE A 377 29.381 61.173 23.363 1.00 26.95 C ATOM 712 O ILE A 377 29.226 62.339 23.000 1.00 27.26 O ATOM 713 CB ILE A 377 28.481 59.203 22.050 1.00 31.09 C ATOM 714 CG1 ILE A 377 28.786 58.275 20.870 1.00 33.34 C ATOM 715 CG2 ILE A 377 27.249 60.067 21.759 1.00 32.66 C ATOM 716 CD1 ILE A 377 27.688 57.279 20.550 1.00 36.29 C ATOM 717 H ILE A 377 30.664 58.253 23.007 1.00 0.00 H ATOM 718 N ALA A 378 29.275 60.789 24.630 1.00 25.54 N ATOM 719 CA ALA A 378 28.908 61.721 25.689 1.00 27.68 C ATOM 720 C ALA A 378 29.909 62.865 25.792 1.00 25.09 C ATOM 721 O ALA A 378 29.525 64.022 25.968 1.00 24.30 O ATOM 722 CB ALA A 378 28.803 60.996 27.018 1.00 23.73 C ATOM 723 H ALA A 378 29.459 59.795 24.874 1.00 0.00 H ATOM 724 N LEU A 379 31.191 62.537 25.678 1.00 23.57 N ATOM 725 CA LEU A 379 32.247 63.534 25.796 1.00 20.54 C ATOM 726 C LEU A 379 32.294 64.448 24.575 1.00 22.01 C ATOM 727 O LEU A 379 32.448 65.663 24.706 1.00 22.15 O ATOM 728 CB LEU A 379 33.597 62.845 25.993 1.00 20.07 C ATOM 729 CG LEU A 379 33.792 62.231 27.382 1.00 20.49 C ATOM 730 CD1 LEU A 379 34.871 61.161 27.356 1.00 22.35 C ATOM 731 CD2 LEU A 379 34.138 63.308 28.399 1.00 18.25 C ATOM 732 H LEU A 379 31.447 61.545 25.500 1.00 0.00 H ATOM 733 N LYS A 380 32.159 63.867 23.390 1.00 23.63 N ATOM 734 CA LYS A 380 32.207 64.653 22.160 1.00 33.42 C ATOM 735 C LYS A 380 31.034 65.626 22.076 1.00 29.34 C ATOM 736 O LYS A 380 31.154 66.697 21.486 1.00 27.72 O ATOM 737 CB LYS A 380 32.208 63.739 20.936 1.00 38.19 C ATOM 738 CG LYS A 380 33.500 62.968 20.736 1.00 34.92 C ATOM 739 CD LYS A 380 33.378 61.997 19.572 1.00 40.64 C ATOM 740 CE LYS A 380 34.641 61.170 19.402 1.00 52.77 C ATOM 741 NZ LYS A 380 34.390 59.943 18.592 1.00 59.69 N ATOM 742 HZ1 LYS A 380 33.674 59.356 19.067 1.00 0.00 H ATOM 743 HZ2 LYS A 380 34.047 60.216 17.649 1.00 0.00 H ATOM 744 HZ3 LYS A 380 35.275 59.404 18.498 1.00 0.00 H ATOM 745 H LYS A 380 32.017 62.838 23.336 1.00 0.00 H ATOM 746 N ASN A 381 29.907 65.251 22.676 1.00 26.81 N ATOM 747 CA ASN A 381 28.681 66.035 22.567 1.00 28.44 C ATOM 748 C ASN A 381 28.374 66.813 23.846 1.00 27.34 C ATOM 749 O ASN A 381 27.262 67.311 24.027 1.00 28.68 O ATOM 750 CB ASN A 381 27.503 65.117 22.229 1.00 32.26 C ATOM 751 CG ASN A 381 27.718 64.336 20.942 1.00 35.18 C ATOM 752 OD1 ASN A 381 27.744 63.106 20.947 1.00 47.44 O ATOM 753 ND2 ASN A 381 27.868 65.049 19.834 1.00 39.01 N ATOM 754 HD22 ASN A 381 27.839 66.088 19.876 1.00 0.00 H ATOM 755 HD21 ASN A 381 28.015 64.569 18.923 1.00 0.00 H ATOM 756 H ASN A 381 29.900 64.376 23.238 1.00 0.00 H ATOM 757 N ALA A 382 29.362 66.925 24.727 1.00 27.75 N ATOM 758 CA ALA A 382 29.148 67.521 26.042 1.00 24.68 C ATOM 759 C ALA A 382 29.020 69.042 25.980 1.00 29.37 C ATOM 760 O ALA A 382 28.610 69.677 26.953 1.00 29.73 O ATOM 761 CB ALA A 382 30.282 67.132 26.980 1.00 24.18 C ATOM 762 H ALA A 382 30.310 66.580 24.474 1.00 0.00 H ATOM 763 N GLY A 383 29.369 69.625 24.840 1.00 32.60 N ATOM 764 CA GLY A 383 29.278 71.064 24.673 1.00 42.74 C ATOM 765 C GLY A 383 30.587 71.771 24.952 1.00 28.64 C ATOM 766 O GLY A 383 31.624 71.128 25.126 1.00 26.07 O ATOM 767 H GLY A 383 29.714 69.040 24.052 1.00 0.00 H ATOM 768 N GLN A 384 30.533 73.098 25.010 1.00 28.76 N ATOM 769 CA GLN A 384 31.734 73.920 25.101 1.00 28.82 C ATOM 770 C GLN A 384 32.356 73.879 26.491 1.00 27.07 C ATOM 771 O GLN A 384 33.574 73.926 26.629 1.00 26.34 O ATOM 772 CB GLN A 384 31.413 75.368 24.729 1.00 31.51 C ATOM 773 CG GLN A 384 30.734 75.526 23.375 1.00 33.69 C ATOM 774 CD GLN A 384 30.177 76.921 23.164 1.00 55.35 C ATOM 775 OE1 GLN A 384 30.920 77.865 22.895 1.00 56.65 O ATOM 776 NE2 GLN A 384 28.859 77.057 23.289 1.00 41.00 N ATOM 777 HE22 GLN A 384 28.270 76.231 23.517 1.00 0.00 H ATOM 778 HE21 GLN A 384 28.418 77.990 23.158 1.00 0.00 H ATOM 779 H GLN A 384 29.604 73.565 24.990 1.00 0.00 H ATOM 780 N THR A 385 31.512 73.813 27.514 1.00 26.74 N ATOM 781 CA THR A 385 31.979 73.710 28.891 1.00 25.35 C ATOM 782 C THR A 385 31.717 72.299 29.391 1.00 23.40 C ATOM 783 O THR A 385 30.569 71.855 29.466 1.00 23.79 O ATOM 784 CB THR A 385 31.286 74.731 29.808 1.00 43.03 C ATOM 785 OG1 THR A 385 31.540 76.055 29.323 1.00 44.07 O ATOM 786 CG2 THR A 385 31.801 74.614 31.240 1.00 25.76 C ATOM 787 HG1 THR A 385 31.094 76.713 29.913 1.00 0.00 H ATOM 788 H THR A 385 30.489 73.835 27.328 1.00 0.00 H ATOM 789 N VAL A 386 32.788 71.597 29.736 1.00 21.60 N ATOM 790 CA VAL A 386 32.692 70.187 30.078 1.00 19.97 C ATOM 791 C VAL A 386 33.086 69.976 31.536 1.00 18.82 C ATOM 792 O VAL A 386 34.244 70.167 31.911 1.00 18.16 O ATOM 793 CB VAL A 386 33.561 69.343 29.135 1.00 19.18 C ATOM 794 CG1 VAL A 386 33.422 67.863 29.453 1.00 17.92 C ATOM 795 CG2 VAL A 386 33.171 69.614 27.690 1.00 20.73 C ATOM 796 H VAL A 386 33.716 72.065 29.762 1.00 0.00 H ATOM 797 N THR A 387 32.109 69.580 32.349 1.00 18.95 N ATOM 798 CA THR A 387 32.340 69.336 33.766 1.00 18.23 C ATOM 799 C THR A 387 32.509 67.845 34.010 1.00 19.84 C ATOM 800 O THR A 387 31.564 67.067 33.882 1.00 19.61 O ATOM 801 CB THR A 387 31.192 69.873 34.630 1.00 22.27 C ATOM 802 OG1 THR A 387 31.075 71.285 34.432 1.00 22.58 O ATOM 803 CG2 THR A 387 31.441 69.604 36.104 1.00 20.72 C ATOM 804 HG1 THR A 387 30.887 71.469 33.477 1.00 0.00 H ATOM 805 H THR A 387 31.154 69.441 31.961 1.00 0.00 H ATOM 806 N ILE A 388 33.728 67.463 34.362 1.00 15.51 N ATOM 807 CA ILE A 388 34.063 66.070 34.584 1.00 14.36 C ATOM 808 C ILE A 388 34.249 65.823 36.066 1.00 14.01 C ATOM 809 O ILE A 388 34.867 66.626 36.767 1.00 14.15 O ATOM 810 CB ILE A 388 35.338 65.687 33.793 1.00 13.52 C ATOM 811 CG1 ILE A 388 35.033 65.645 32.294 1.00 16.58 C ATOM 812 CG2 ILE A 388 35.909 64.354 34.256 1.00 12.53 C ATOM 813 CD1 ILE A 388 36.265 65.721 31.428 1.00 19.49 C ATOM 814 H ILE A 388 34.467 68.185 34.483 1.00 0.00 H ATOM 815 N ILE A 389 33.686 64.720 36.549 1.00 13.92 N ATOM 816 CA ILE A 389 34.039 64.201 37.859 1.00 13.61 C ATOM 817 C ILE A 389 34.961 63.018 37.608 1.00 12.55 C ATOM 818 O ILE A 389 34.588 62.074 36.909 1.00 12.61 O ATOM 819 CB ILE A 389 32.812 63.782 38.687 1.00 14.70 C ATOM 820 CG1 ILE A 389 31.789 64.922 38.768 1.00 16.14 C ATOM 821 CG2 ILE A 389 33.249 63.337 40.079 1.00 14.67 C ATOM 822 CD1 ILE A 389 32.293 66.179 39.455 1.00 16.57 C ATOM 823 H ILE A 389 32.978 64.218 35.977 1.00 0.00 H ATOM 824 N ALA A 390 36.168 63.085 38.154 1.00 11.90 N ATOM 825 CA ALA A 390 37.157 62.042 37.938 1.00 11.15 C ATOM 826 C ALA A 390 37.693 61.529 39.259 1.00 11.09 C ATOM 827 O ALA A 390 37.668 62.226 40.264 1.00 11.53 O ATOM 828 CB ALA A 390 38.293 62.559 37.080 1.00 11.80 C ATOM 829 H ALA A 390 36.412 63.902 38.750 1.00 0.00 H ATOM 830 N GLN A 391 38.190 60.305 39.234 1.00 10.83 N ATOM 831 CA GLN A 391 38.747 59.693 40.426 1.00 11.01 C ATOM 832 C GLN A 391 39.906 58.799 40.038 1.00 10.64 C ATOM 833 O GLN A 391 39.790 57.965 39.141 1.00 11.03 O ATOM 834 CB GLN A 391 37.679 58.904 41.169 1.00 13.17 C ATOM 835 CG GLN A 391 38.182 58.294 42.455 1.00 14.38 C ATOM 836 CD GLN A 391 37.067 57.737 43.296 1.00 16.82 C ATOM 837 OE1 GLN A 391 36.051 57.277 42.776 1.00 16.77 O ATOM 838 NE2 GLN A 391 37.244 57.779 44.609 1.00 14.96 N ATOM 839 HE22 GLN A 391 38.120 58.177 45.003 1.00 0.00 H ATOM 840 HE21 GLN A 391 36.507 57.414 45.245 1.00 0.00 H ATOM 841 H GLN A 391 38.182 59.770 38.342 1.00 0.00 H ATOM 842 N TYR A 392 41.035 58.996 40.704 1.00 10.60 N ATOM 843 CA TYR A 392 42.268 58.299 40.357 1.00 10.87 C ATOM 844 C TYR A 392 42.194 56.820 40.749 1.00 11.39 C ATOM 845 O TYR A 392 42.050 56.482 41.930 1.00 11.78 O ATOM 846 CB TYR A 392 43.454 58.990 41.037 1.00 10.97 C ATOM 847 CG TYR A 392 44.812 58.491 40.596 1.00 11.45 C ATOM 848 CD1 TYR A 392 45.143 58.413 39.249 1.00 13.11 C ATOM 849 CD2 TYR A 392 45.772 58.113 41.529 1.00 12.84 C ATOM 850 CE1 TYR A 392 46.382 57.961 38.843 1.00 14.04 C ATOM 851 CE2 TYR A 392 47.012 57.663 41.131 1.00 14.32 C ATOM 852 CZ TYR A 392 47.310 57.589 39.789 1.00 15.74 C ATOM 853 OH TYR A 392 48.541 57.136 39.384 1.00 14.55 O ATOM 854 HH TYR A 392 48.675 56.211 39.711 1.00 0.00 H ATOM 855 H TYR A 392 41.042 59.668 41.498 1.00 0.00 H ATOM 856 N LYS A 393 42.285 55.952 39.747 1.00 16.31 N ATOM 857 CA LYS A 393 42.153 54.509 39.935 1.00 16.50 C ATOM 858 C LYS A 393 43.270 53.767 39.193 1.00 14.72 C ATOM 859 O LYS A 393 43.024 53.014 38.246 1.00 14.46 O ATOM 860 CB LYS A 393 40.779 54.033 39.448 1.00 17.91 C ATOM 861 CG LYS A 393 39.598 54.539 40.278 1.00 20.57 C ATOM 862 CD LYS A 393 39.471 53.776 41.582 1.00 22.59 C ATOM 863 CE LYS A 393 38.131 54.024 42.262 1.00 26.14 C ATOM 864 NZ LYS A 393 37.839 52.985 43.285 1.00 37.87 N ATOM 865 HZ1 LYS A 393 37.810 52.050 42.830 1.00 0.00 H ATOM 866 HZ2 LYS A 393 38.584 52.995 44.010 1.00 0.00 H ATOM 867 HZ3 LYS A 393 36.919 53.185 43.728 1.00 0.00 H ATOM 868 H LYS A 393 42.458 56.315 38.788 1.00 0.00 H ATOM 869 N PRO A 394 44.515 53.967 39.631 1.00 15.97 N ATOM 870 CA PRO A 394 45.658 53.418 38.895 1.00 15.90 C ATOM 871 C PRO A 394 45.677 51.894 38.820 1.00 17.98 C ATOM 872 O PRO A 394 46.132 51.351 37.810 1.00 17.21 O ATOM 873 CB PRO A 394 46.860 53.943 39.687 1.00 15.67 C ATOM 874 CG PRO A 394 46.339 54.192 41.059 1.00 18.99 C ATOM 875 CD PRO A 394 44.931 54.677 40.850 1.00 18.87 C ATOM 876 N GLU A 395 45.193 51.213 39.855 1.00 16.72 N ATOM 877 CA GLU A 395 45.209 49.753 39.866 1.00 19.50 C ATOM 878 C GLU A 395 44.299 49.207 38.773 1.00 20.77 C ATOM 879 O GLU A 395 44.679 48.307 38.031 1.00 22.14 O ATOM 880 CB GLU A 395 44.772 49.208 41.229 1.00 24.24 C ATOM 881 CG GLU A 395 45.753 49.475 42.352 1.00 26.21 C ATOM 882 CD GLU A 395 45.697 50.896 42.888 1.00 29.20 C ATOM 883 OE1 GLU A 395 44.698 51.624 42.646 1.00 21.79 O ATOM 884 OE2 GLU A 395 46.673 51.288 43.562 1.00 26.24 O ATOM 885 H GLU A 395 44.798 51.728 40.668 1.00 0.00 H ATOM 886 N GLU A 396 43.093 49.758 38.681 1.00 18.02 N ATOM 887 CA GLU A 396 42.143 49.333 37.666 1.00 18.96 C ATOM 888 C GLU A 396 42.685 49.670 36.285 1.00 18.58 C ATOM 889 O GLU A 396 42.567 48.878 35.347 1.00 19.90 O ATOM 890 CB GLU A 396 40.779 49.991 37.881 1.00 26.74 C ATOM 891 CG GLU A 396 40.018 49.461 39.085 1.00 39.36 C ATOM 892 CD GLU A 396 40.479 50.078 40.393 1.00 53.31 C ATOM 893 OE1 GLU A 396 41.581 50.670 40.424 1.00 59.80 O ATOM 894 OE2 GLU A 396 39.732 49.977 41.391 1.00 48.74 O ATOM 895 H GLU A 396 42.823 50.508 39.349 1.00 0.00 H ATOM 896 N TYR A 397 43.295 50.840 36.162 1.00 16.27 N ATOM 897 CA TYR A 397 43.842 51.245 34.877 1.00 15.13 C ATOM 898 C TYR A 397 44.976 50.334 34.412 1.00 17.09 C ATOM 899 O TYR A 397 45.065 49.994 33.224 1.00 17.01 O ATOM 900 CB TYR A 397 44.358 52.678 34.919 1.00 12.83 C ATOM 901 CG TYR A 397 45.079 53.000 33.637 1.00 15.83 C ATOM 902 CD1 TYR A 397 44.369 53.332 32.491 1.00 16.88 C ATOM 903 CD2 TYR A 397 46.458 52.901 33.548 1.00 17.15 C ATOM 904 CE1 TYR A 397 45.013 53.589 31.311 1.00 16.61 C ATOM 905 CE2 TYR A 397 47.114 53.166 32.366 1.00 18.41 C ATOM 906 CZ TYR A 397 46.386 53.502 31.251 1.00 19.20 C ATOM 907 OH TYR A 397 47.029 53.754 30.068 1.00 23.04 O ATOM 908 HH TYR A 397 47.537 52.950 29.792 1.00 0.00 H ATOM 909 H TYR A 397 43.383 51.469 36.985 1.00 0.00 H ATOM 910 N SER A 398 45.844 49.953 35.344 1.00 22.45 N ATOM 911 CA SER A 398 47.020 49.151 35.021 1.00 23.58 C ATOM 912 C SER A 398 46.654 47.861 34.292 1.00 26.80 C ATOM 913 O SER A 398 47.460 47.325 33.532 1.00 27.57 O ATOM 914 CB SER A 398 47.806 48.822 36.291 1.00 25.59 C ATOM 915 OG SER A 398 48.572 49.936 36.715 1.00 25.61 O ATOM 916 HG SER A 398 47.968 50.698 36.902 1.00 0.00 H ATOM 917 H SER A 398 45.680 50.234 36.332 1.00 0.00 H ATOM 918 N ARG A 399 45.440 47.370 34.521 1.00 19.65 N ATOM 919 CA ARG A 399 44.961 46.149 33.869 1.00 23.93 C ATOM 920 C ARG A 399 44.977 46.280 32.350 1.00 19.32 C ATOM 921 O ARG A 399 45.112 45.286 31.633 1.00 21.83 O ATOM 922 CB ARG A 399 43.536 45.817 34.343 1.00 36.42 C ATOM 923 CG ARG A 399 42.842 44.649 33.610 1.00 66.91 C ATOM 924 CD ARG A 399 41.492 45.048 32.992 1.00 58.92 C ATOM 925 NE ARG A 399 41.506 45.027 31.525 1.00 53.19 N ATOM 926 CZ ARG A 399 40.865 44.141 30.760 1.00 64.04 C ATOM 927 NH1 ARG A 399 40.131 43.171 31.293 1.00 79.78 N ATOM 928 NH2 ARG A 399 40.955 44.231 29.439 1.00 54.20 N ATOM 929 HE ARG A 399 42.061 45.762 31.042 1.00 0.00 H ATOM 930 HH12 ARG A 399 39.640 42.492 30.677 1.00 0.00 H ATOM 931 HH11 ARG A 399 40.047 43.091 32.326 1.00 0.00 H ATOM 932 HH22 ARG A 399 40.458 43.544 28.836 1.00 0.00 H ATOM 933 HH21 ARG A 399 41.522 44.988 29.007 1.00 0.00 H ATOM 934 H ARG A 399 44.811 47.868 35.183 1.00 0.00 H ATOM 935 N PHE A 400 44.831 47.510 31.868 1.00 17.82 N ATOM 936 CA PHE A 400 44.680 47.763 30.442 1.00 18.83 C ATOM 937 C PHE A 400 46.030 47.835 29.728 1.00 18.80 C ATOM 938 O PHE A 400 46.170 47.360 28.604 1.00 20.84 O ATOM 939 CB PHE A 400 43.916 49.070 30.206 1.00 18.12 C ATOM 940 CG PHE A 400 42.429 48.959 30.404 1.00 20.26 C ATOM 941 CD1 PHE A 400 41.606 48.554 29.366 1.00 34.96 C ATOM 942 CD2 PHE A 400 41.852 49.280 31.622 1.00 18.78 C ATOM 943 CE1 PHE A 400 40.235 48.455 29.542 1.00 34.99 C ATOM 944 CE2 PHE A 400 40.482 49.183 31.808 1.00 22.00 C ATOM 945 CZ PHE A 400 39.672 48.770 30.765 1.00 27.55 C ATOM 946 H PHE A 400 44.824 48.314 32.528 1.00 0.00 H ATOM 947 N GLU A 401 47.014 48.442 30.380 1.00 17.09 N ATOM 948 CA GLU A 401 48.288 48.723 29.721 1.00 17.55 C ATOM 949 C GLU A 401 49.335 47.658 30.035 1.00 18.57 C ATOM 950 O GLU A 401 49.581 47.331 31.194 1.00 17.84 O ATOM 951 CB GLU A 401 48.811 50.104 30.125 1.00 17.97 C ATOM 952 CG GLU A 401 50.049 50.521 29.345 1.00 17.38 C ATOM 953 CD GLU A 401 50.376 52.004 29.482 1.00 30.45 C ATOM 954 OE1 GLU A 401 49.700 52.707 30.257 1.00 22.34 O ATOM 955 OE2 GLU A 401 51.315 52.470 28.803 1.00 23.70 O ATOM 956 H GLU A 401 46.877 48.721 31.372 1.00 0.00 H ATOM 957 N ALA A 402 49.949 47.137 28.979 1.00 20.81 N ATOM 958 CA ALA A 402 50.957 46.089 29.088 1.00 22.64 C ATOM 959 C ALA A 402 52.124 46.494 29.988 1.00 21.83 C ATOM 960 O ALA A 402 52.589 47.637 29.946 1.00 20.95 O ATOM 961 CB ALA A 402 51.471 45.728 27.711 1.00 25.65 C ATOM 962 H ALA A 402 49.700 47.492 28.034 1.00 0.00 H ATOM 963 N ASN A 403 52.588 45.542 30.793 1.00 26.81 N ATOM 964 CA ASN A 403 53.778 45.719 31.623 1.00 24.62 C ATOM 965 C ASN A 403 53.677 46.925 32.546 1.00 24.26 C ATOM 966 O ASN A 403 54.688 47.555 32.866 1.00 26.02 O ATOM 967 CB ASN A 403 55.017 45.860 30.745 1.00 28.25 C ATOM 968 CG ASN A 403 55.250 44.648 29.874 1.00 35.24 C ATOM 969 OD1 ASN A 403 55.267 43.515 30.359 1.00 35.75 O ATOM 970 ND2 ASN A 403 55.420 44.877 28.576 1.00 43.52 N ATOM 971 HD22 ASN A 403 55.398 45.851 28.213 1.00 0.00 H ATOM 972 HD21 ASN A 403 55.575 44.082 27.924 1.00 0.00 H ATOM 973 H ASN A 403 52.083 44.634 30.833 1.00 0.00 H ATOM 974 N SER A 404 52.466 47.246 32.980 1.00 20.31 N ATOM 975 CA SER A 404 52.272 48.380 33.870 1.00 18.36 C ATOM 976 C SER A 404 51.916 47.906 35.269 1.00 20.71 C ATOM 977 O SER A 404 51.399 46.802 35.462 1.00 22.17 O ATOM 978 CB SER A 404 51.191 49.314 33.327 1.00 20.10 C ATOM 979 OG SER A 404 51.633 49.950 32.142 1.00 27.73 O ATOM 980 HG SER A 404 52.447 50.479 32.337 1.00 0.00 H ATOM 981 H SER A 404 51.646 46.681 32.681 1.00 0.00 H ATOM 982 N ARG A 405 52.208 48.754 36.245 1.00 15.95 N ATOM 983 CA ARG A 405 51.987 48.428 37.638 1.00 16.45 C ATOM 984 C ARG A 405 51.919 49.733 38.404 1.00 15.64 C ATOM 985 O ARG A 405 52.168 50.797 37.841 1.00 14.90 O ATOM 986 CB ARG A 405 53.105 47.540 38.178 1.00 19.18 C ATOM 987 CG ARG A 405 54.475 48.182 38.070 1.00 19.65 C ATOM 988 CD ARG A 405 55.587 47.241 38.478 1.00 22.51 C ATOM 989 NE ARG A 405 56.886 47.796 38.113 1.00 23.98 N ATOM 990 CZ ARG A 405 57.597 48.625 38.872 1.00 25.05 C ATOM 991 NH1 ARG A 405 57.159 49.001 40.065 1.00 24.77 N ATOM 992 NH2 ARG A 405 58.761 49.073 38.435 1.00 27.03 N ATOM 993 HE ARG A 405 57.285 47.523 37.192 1.00 0.00 H ATOM 994 HH12 ARG A 405 57.727 49.650 40.647 1.00 0.00 H ATOM 995 HH11 ARG A 405 56.248 48.647 40.420 1.00 0.00 H ATOM 996 HH22 ARG A 405 59.323 49.722 39.023 1.00 0.00 H ATOM 997 HH21 ARG A 405 59.115 48.777 37.503 1.00 0.00 H ATOM 998 H ARG A 405 52.608 49.683 36.002 1.00 0.00 H ATOM 999 N VAL A 406 51.583 49.645 39.683 1.00 16.67 N ATOM 1000 CA VAL A 406 51.471 50.817 40.535 1.00 17.25 C ATOM 1001 C VAL A 406 52.537 50.743 41.615 1.00 20.67 C ATOM 1002 O VAL A 406 52.667 49.718 42.275 1.00 20.49 O ATOM 1003 CB VAL A 406 50.067 50.909 41.161 1.00 16.42 C ATOM 1004 CG1 VAL A 406 49.924 52.191 41.958 1.00 16.94 C ATOM 1005 CG2 VAL A 406 48.993 50.810 40.086 1.00 17.91 C ATOM 1006 H VAL A 406 51.393 48.707 40.090 1.00 0.00 H ATOM 1007 N ASP A 407 53.288 51.824 41.814 1.00 23.40 N ATOM 1008 CA ASP A 407 54.308 51.828 42.863 1.00 27.44 C ATOM 1009 C ASP A 407 53.734 52.324 44.191 1.00 31.77 C ATOM 1010 O ASP A 407 52.545 52.615 44.299 1.00 26.86 O ATOM 1011 CB ASP A 407 55.527 52.670 42.452 1.00 29.80 C ATOM 1012 CG ASP A 407 55.234 54.159 42.373 1.00 33.36 C ATOM 1013 OD1 ASP A 407 54.234 54.630 42.956 1.00 29.81 O ATOM 1014 OD2 ASP A 407 56.037 54.870 41.730 1.00 32.50 O ATOM 1015 H ASP A 407 53.149 52.668 41.222 1.00 0.00 H ATOM 1016 N SER A 408 54.594 52.420 45.200 1.00 38.30 N ATOM 1017 CA SER A 408 54.161 52.760 46.551 1.00 39.07 C ATOM 1018 C SER A 408 53.607 54.176 46.651 1.00 42.84 C ATOM 1019 O SER A 408 52.853 54.487 47.573 1.00 48.09 O ATOM 1020 CB SER A 408 55.324 52.587 47.528 1.00 50.59 C ATOM 1021 OG SER A 408 56.546 52.996 46.939 1.00 61.62 O ATOM 1022 HG SER A 408 57.282 52.874 47.590 1.00 0.00 H ATOM 1023 H SER A 408 55.604 52.248 45.021 1.00 0.00 H ATOM 1024 N SER A 409 53.974 55.030 45.701 1.00 42.19 N ATOM 1025 CA SER A 409 53.489 56.406 45.688 1.00 43.93 C ATOM 1026 C SER A 409 52.108 56.494 45.045 1.00 40.17 C ATOM 1027 O SER A 409 51.455 57.533 45.091 1.00 45.13 O ATOM 1028 CB SER A 409 54.469 57.312 44.940 1.00 52.35 C ATOM 1029 OG SER A 409 55.809 57.026 45.301 1.00 76.34 O ATOM 1030 HG SER A 409 56.419 57.626 44.803 1.00 0.00 H ATOM 1031 H SER A 409 54.620 54.711 44.951 1.00 0.00 H ATOM 1032 N GLY A 410 51.665 55.395 44.445 1.00 30.14 N ATOM 1033 CA GLY A 410 50.403 55.371 43.734 1.00 23.43 C ATOM 1034 C GLY A 410 50.562 55.704 42.266 1.00 25.46 C ATOM 1035 O GLY A 410 49.577 55.843 41.544 1.00 21.97 O ATOM 1036 H GLY A 410 52.239 54.529 44.487 1.00 0.00 H ATOM 1037 N ARG A 411 51.806 55.814 41.810 1.00 21.49 N ATOM 1038 CA ARG A 411 52.067 56.225 40.437 1.00 21.51 C ATOM 1039 C ARG A 411 52.173 55.025 39.504 1.00 19.08 C ATOM 1040 O ARG A 411 52.676 53.970 39.879 1.00 19.94 O ATOM 1041 CB ARG A 411 53.337 57.077 40.378 1.00 28.20 C ATOM 1042 CG ARG A 411 53.085 58.512 40.804 1.00 30.46 C ATOM 1043 CD ARG A 411 54.334 59.236 41.244 1.00 35.07 C ATOM 1044 NE ARG A 411 54.029 60.604 41.661 1.00 34.93 N ATOM 1045 CZ ARG A 411 53.505 60.935 42.839 1.00 35.97 C ATOM 1046 NH1 ARG A 411 53.215 60.000 43.732 1.00 34.98 N ATOM 1047 NH2 ARG A 411 53.264 62.206 43.125 1.00 39.80 N ATOM 1048 HE ARG A 411 54.236 61.372 40.991 1.00 0.00 H ATOM 1049 HH12 ARG A 411 52.806 60.267 44.650 1.00 0.00 H ATOM 1050 HH11 ARG A 411 53.397 58.999 43.515 1.00 0.00 H ATOM 1051 HH22 ARG A 411 52.855 62.463 44.046 1.00 0.00 H ATOM 1052 HH21 ARG A 411 53.484 62.946 42.429 1.00 0.00 H ATOM 1053 H ARG A 411 52.604 55.604 42.443 1.00 0.00 H ATOM 1054 N ILE A 412 51.674 55.197 38.285 1.00 18.23 N ATOM 1055 CA ILE A 412 51.697 54.139 37.291 1.00 15.47 C ATOM 1056 C ILE A 412 53.087 54.080 36.663 1.00 20.11 C ATOM 1057 O ILE A 412 53.628 55.088 36.212 1.00 23.43 O ATOM 1058 CB ILE A 412 50.599 54.358 36.237 1.00 18.79 C ATOM 1059 CG1 ILE A 412 49.222 54.240 36.896 1.00 15.08 C ATOM 1060 CG2 ILE A 412 50.725 53.349 35.095 1.00 20.31 C ATOM 1061 CD1 ILE A 412 48.128 54.960 36.151 1.00 13.99 C ATOM 1062 H ILE A 412 51.255 56.116 38.036 1.00 0.00 H ATOM 1063 N VAL A 413 53.654 52.883 36.650 1.00 17.43 N ATOM 1064 CA VAL A 413 54.978 52.643 36.102 1.00 19.93 C ATOM 1065 C VAL A 413 54.852 51.555 35.049 1.00 19.26 C ATOM 1066 O VAL A 413 54.158 50.561 35.259 1.00 19.72 O ATOM 1067 CB VAL A 413 55.980 52.247 37.216 1.00 22.76 C ATOM 1068 CG1 VAL A 413 57.301 51.761 36.632 1.00 36.73 C ATOM 1069 CG2 VAL A 413 56.218 53.425 38.148 1.00 29.77 C ATOM 1070 H VAL A 413 53.128 52.080 37.050 1.00 0.00 H ATOM 1071 N THR A 414 55.519 51.747 33.920 1.00 24.04 N ATOM 1072 CA THR A 414 55.554 50.734 32.873 1.00 25.43 C ATOM 1073 C THR A 414 56.994 50.283 32.699 1.00 30.99 C ATOM 1074 O THR A 414 57.901 51.108 32.605 1.00 30.03 O ATOM 1075 CB THR A 414 54.994 51.261 31.533 1.00 27.40 C ATOM 1076 OG1 THR A 414 53.667 51.771 31.730 1.00 29.79 O ATOM 1077 CG2 THR A 414 54.950 50.152 30.493 1.00 39.20 C ATOM 1078 HG1 THR A 414 53.083 51.047 32.068 1.00 0.00 H ATOM 1079 H THR A 414 56.030 52.642 33.778 1.00 0.00 H ATOM 1080 N ASP A 415 57.202 48.971 32.673 1.00 31.81 N ATOM 1081 CA ASP A 415 58.542 48.414 32.548 1.00 46.32 C ATOM 1082 C ASP A 415 58.842 48.070 31.092 1.00 53.13 C ATOM 1083 O ASP A 415 57.947 48.058 30.244 1.00 40.08 O ATOM 1084 CB ASP A 415 58.692 47.172 33.430 1.00 39.02 C ATOM 1085 CG ASP A 415 58.339 47.442 34.885 1.00 34.74 C ATOM 1086 OD1 ASP A 415 59.106 48.159 35.564 1.00 28.88 O ATOM 1087 OD2 ASP A 415 57.299 46.931 35.352 1.00 26.34 O ATOM 1088 OXT ASP A 415 59.985 47.799 30.728 1.00 51.87 O ATOM 1089 H ASP A 415 56.389 48.327 32.744 1.00 0.00 H TER 1090 ASP A 415 HETATM 1091 O HOH 1 26.474 52.847 21.847 1.00 46.81 O HETATM 1092 O HOH 2 45.618 75.176 34.339 1.00 34.84 O HETATM 1093 O HOH 3 57.112 59.305 42.355 1.00 42.65 O HETATM 1094 O HOH 4 26.692 67.070 19.722 1.00 44.37 O HETATM 1095 O HOH 5 35.234 66.429 22.216 1.00 27.50 O HETATM 1096 O HOH 6 43.911 62.684 22.445 1.00 27.95 O HETATM 1097 O HOH 7 25.783 54.206 36.085 1.00 34.73 O HETATM 1098 O HOH 8 29.658 69.137 39.498 1.00 45.75 O HETATM 1099 O HOH 9 58.506 64.935 41.954 1.00 40.20 O HETATM 1100 O HOH 10 40.960 75.038 26.958 1.00 44.38 O HETATM 1101 O HOH 11 52.774 64.553 42.283 1.00 47.02 O HETATM 1102 O HOH 12 48.523 49.879 44.601 1.00 32.60 O HETATM 1103 O HOH 13 51.887 51.015 26.753 1.00 22.61 O HETATM 1104 O HOH 14 32.409 51.863 32.134 1.00 28.53 O HETATM 1105 O HOH 15 40.420 56.259 43.958 1.00 13.77 O HETATM 1106 O HOH 16 49.091 64.193 48.764 1.00 41.70 O HETATM 1107 O HOH 17 60.227 51.095 39.228 1.00 43.06 O HETATM 1108 O HOH 18 55.193 44.095 26.056 1.00 31.99 O HETATM 1109 O HOH 19 38.609 72.914 36.997 1.00 26.20 O HETATM 1110 O HOH 20 36.184 49.115 31.567 1.00 45.97 O HETATM 1111 O HOH 21 41.289 61.106 42.589 1.00 12.12 O HETATM 1112 O HOH 22 29.714 62.056 39.348 1.00 37.27 O HETATM 1113 O HOH 23 24.289 57.539 32.362 1.00 29.08 O HETATM 1114 O HOH 24 41.523 59.041 50.644 1.00 63.02 O HETATM 1115 O HOH 25 54.697 48.022 41.660 1.00 21.14 O HETATM 1116 O HOH 26 41.760 71.335 21.281 1.00 34.43 O HETATM 1117 O HOH 27 53.282 54.199 29.551 1.00 42.07 O HETATM 1118 O HOH 28 44.838 42.605 32.038 1.00 42.50 O HETATM 1119 O HOH 29 35.500 53.526 44.577 1.00 29.46 O HETATM 1120 O HOH 30 45.133 67.944 26.516 1.00 16.72 O HETATM 1121 O HOH 31 29.478 72.023 32.346 1.00 32.83 O HETATM 1122 O HOH 32 39.861 69.645 40.217 1.00 23.42 O HETATM 1123 O HOH 33 29.869 69.238 22.183 1.00 34.59 O HETATM 1124 O HOH 34 33.786 55.133 34.214 1.00 13.98 O HETATM 1125 O HOH 35 34.160 50.795 29.756 1.00 37.83 O HETATM 1126 O HOH 36 52.478 48.700 44.846 1.00 40.47 O HETATM 1127 O HOH 37 44.508 62.321 39.349 1.00 24.73 O HETATM 1128 O HOH 38 40.273 47.332 35.064 1.00 36.64 O HETATM 1129 O HOH 39 36.276 76.697 19.347 1.00 39.03 O HETATM 1130 O HOH 40 28.467 72.732 27.835 1.00 49.17 O HETATM 1131 O HOH 41 27.016 54.777 33.924 1.00 26.58 O HETATM 1132 O HOH 42 26.880 79.039 23.177 1.00 42.19 O HETATM 1133 O HOH 43 34.513 55.770 44.584 1.00 36.56 O HETATM 1134 O HOH 44 29.584 79.953 21.568 1.00 40.21 O HETATM 1135 O HOH 45 44.004 63.100 42.139 1.00 17.94 O HETATM 1136 O HOH 46 45.915 67.793 33.219 1.00 22.19 O HETATM 1137 O HOH 47 43.612 60.252 48.935 1.00 22.79 O HETATM 1138 O HOH 48 50.472 47.228 40.695 1.00 21.82 O HETATM 1139 O HOH 49 25.935 58.737 25.415 1.00 32.44 O HETATM 1140 O HOH 50 56.892 54.220 33.554 1.00 39.47 O HETATM 1141 O HOH 51 49.437 59.105 36.156 1.00 29.54 O HETATM 1142 O HOH 52 41.642 67.389 39.965 1.00 22.16 O HETATM 1143 O HOH 53 34.399 77.159 26.194 1.00 43.14 O HETATM 1144 O HOH 54 32.117 58.201 18.413 1.00 40.54 O HETATM 1145 O HOH 55 26.929 64.504 27.113 1.00 34.40 O HETATM 1146 O HOH 56 53.371 49.001 27.531 1.00 31.99 O HETATM 1147 O HOH 57 29.810 65.597 35.669 1.00 20.60 O HETATM 1148 O HOH 58 44.432 73.915 23.759 1.00 44.56 O HETATM 1149 O HOH 59 50.835 56.708 52.639 1.00 44.76 O HETATM 1150 O HOH 60 51.073 72.622 28.583 1.00 46.30 O HETATM 1151 O HOH 61 45.045 74.647 37.106 1.00 50.71 O HETATM 1152 O HOH 62 22.837 65.768 33.370 1.00 54.95 O HETATM 1153 O HOH 63 50.792 57.898 37.582 1.00 22.14 O HETATM 1154 O HOH 64 43.172 65.235 49.430 1.00 50.78 O HETATM 1155 O HOH 65 49.573 45.250 33.289 1.00 33.42 O HETATM 1156 O HOH 66 40.919 73.753 29.798 1.00 33.63 O HETATM 1157 O HOH 67 50.199 51.637 45.780 1.00 40.20 O HETATM 1158 O HOH 68 41.587 54.369 45.277 1.00 17.75 O HETATM 1159 O HOH 69 52.551 69.323 28.925 1.00 36.14 O HETATM 1160 O HOH 70 49.347 54.309 46.615 1.00 39.09 O HETATM 1161 O HOH 71 44.372 63.229 49.033 1.00 53.03 O HETATM 1162 O HOH 72 58.717 53.544 41.179 1.00 35.56 O HETATM 1163 O HOH 73 49.309 61.782 33.152 1.00 25.43 O HETATM 1164 O HOH 74 49.759 44.884 37.170 1.00 47.18 O HETATM 1165 O HOH 75 30.377 72.533 19.599 1.00 92.78 O HETATM 1166 O HOH 76 28.878 59.317 38.677 1.00 34.43 O HETATM 1167 O HOH 77 48.306 70.801 21.155 1.00 37.49 O HETATM 1168 O HOH 78 47.139 72.920 37.614 1.00 41.08 O HETATM 1169 O HOH 79 43.917 66.971 40.169 1.00 35.56 O HETATM 1170 O HOH 80 27.605 74.442 24.859 1.00 41.30 O HETATM 1171 O HOH 81 45.227 65.117 38.773 1.00 30.09 O HETATM 1172 O HOH 82 40.473 51.631 44.749 1.00 23.43 O HETATM 1173 O HOH 83 56.922 49.766 43.326 1.00 46.35 O HETATM 1174 O HOH 84 26.737 58.497 39.806 1.00 36.91 O HETATM 1175 O HOH 85 27.127 57.425 42.384 1.00 31.08 O HETATM 1176 O HOH 86 48.643 65.215 43.111 1.00 33.42 O HETATM 1177 O HOH 87 28.395 67.253 37.662 1.00 42.17 O HETATM 1178 O HOH 88 27.269 69.398 35.775 1.00 38.32 O HETATM 1179 O HOH 89 28.626 71.829 38.822 1.00 42.18 O HETATM 1180 O HOH 90 44.365 65.852 42.692 1.00 40.58 O HETATM 1181 O HOH 91 60.826 43.776 31.087 1.00 44.69 O HETATM 1182 O HOH 92 28.179 69.638 20.251 1.00 52.78 O HETATM 1183 O HOH 93 27.272 65.396 39.430 1.00 45.40 O HETATM 1184 O HOH 94 26.772 72.920 22.276 1.00 50.82 O HETATM 1185 O HOH 95 47.071 66.517 43.560 1.00 33.41 O HETATM 1186 O HOH 96 22.623 65.693 29.342 1.00 41.23 O HETATM 1187 O HOH 97 60.169 42.644 29.680 1.00 50.29 O HETATM 1188 O HOH 98 29.811 62.493 41.950 1.00 35.78 O HETATM 1189 O HOH 99 28.725 63.845 43.347 1.00 41.87 O HETATM 1190 O HOH 100 44.657 56.078 22.226 1.00 49.15 O HETATM 1191 O HOH 101 46.743 56.077 24.313 1.00 41.94 O HETATM 1192 O HOH 102 41.964 64.144 21.618 1.00 27.71 O HETATM 1193 N ASN A 103 36.725 42.967 24.444 1.00 0.24 N HETATM 1194 CA ASN A 103 35.855 43.948 25.081 1.00 0.06 C HETATM 1195 C ASN A 103 36.373 45.369 24.875 1.00 0.23 C HETATM 1196 O ASN A 103 35.616 46.334 24.950 1.00 -0.39 O HETATM 1197 N ASN A 103 37.663 45.482 24.581 1.00 -0.26 N HETATM 1198 CA ASN A 103 38.384 46.748 24.685 1.00 0.14 C HETATM 1199 C ASN A 103 38.340 47.656 23.448 1.00 0.21 C HETATM 1200 O ASN A 103 38.353 47.183 22.312 1.00 -0.39 O HETATM 1201 N ASN A 103 38.331 48.964 23.694 1.00 -0.26 N HETATM 1202 CA ASN A 103 38.451 49.957 22.633 1.00 0.13 C HETATM 1203 C ASN A 103 38.926 51.285 23.222 1.00 0.20 C HETATM 1204 O ASN A 103 38.708 51.562 24.402 1.00 -0.39 O HETATM 1205 N ASN A 103 39.570 52.102 22.394 1.00 -0.26 N HETATM 1206 CA ASN A 103 40.122 53.375 22.841 1.00 0.13 C HETATM 1207 C ASN A 103 39.717 54.493 21.883 1.00 0.20 C HETATM 1208 O ASN A 103 39.786 54.332 20.663 1.00 -0.39 O HETATM 1209 N ASN A 103 39.287 55.618 22.448 1.00 -0.26 N HETATM 1210 CA ASN A 103 38.775 56.742 21.671 1.00 0.14 C HETATM 1211 C ASN A 103 39.494 58.040 22.016 1.00 0.21 C HETATM 1212 O ASN A 103 39.842 58.276 23.173 1.00 -0.39 O HETATM 1213 N ASN A 103 39.707 58.878 21.005 1.00 -0.26 N HETATM 1214 CA ASN A 103 40.175 60.245 21.215 1.00 0.15 C HETATM 1215 C ASN A 103 38.976 61.174 21.368 1.00 0.21 C HETATM 1216 O ASN A 103 37.998 61.059 20.629 1.00 -0.39 O HETATM 1217 N ASN A 103 39.049 62.096 22.323 1.00 -0.27 N HETATM 1218 CA ASN A 103 37.944 63.015 22.564 1.00 0.10 C HETATM 1219 C ASN A 103 38.451 64.449 22.715 1.00 0.06 C HETATM 1220 O ASN A 103 37.674 65.402 22.628 1.00 -0.57 O HETATM 1221 OXT ASN A 103 39.641 64.698 22.917 1.00 -0.57 O HETATM 1222 CB ASN A 103 37.130 62.584 23.802 1.00 -0.01 C HETATM 1223 CG1 ASN A 103 36.587 61.175 23.613 1.00 -0.06 C HETATM 1224 H55 ASN A 103 36.010 60.882 24.502 1.00 0.02 H HETATM 1225 H56 ASN A 103 37.424 60.475 23.472 1.00 0.02 H HETATM 1226 H57 ASN A 103 35.935 61.149 22.728 1.00 0.02 H HETATM 1227 CG2 ASN A 103 37.972 62.658 25.064 1.00 -0.06 C HETATM 1228 H58 ASN A 103 38.358 63.681 25.188 1.00 0.02 H HETATM 1229 H59 ASN A 103 38.815 61.956 24.984 1.00 0.02 H HETATM 1230 H60 ASN A 103 37.353 62.391 25.934 1.00 0.02 H HETATM 1231 H54 ASN A 103 36.280 63.273 23.913 1.00 0.03 H HETATM 1232 H53 ASN A 103 37.277 62.981 21.690 1.00 0.07 H HETATM 1233 H52 ASN A 103 39.874 62.160 22.884 1.00 0.19 H HETATM 1234 CB ASN A 103 41.056 60.714 20.052 1.00 0.08 C HETATM 1235 OG ASN A 103 42.339 60.123 20.108 1.00 -0.39 O HETATM 1236 H51 ASN A 103 42.762 60.364 20.924 1.00 0.21 H HETATM 1237 H49 ASN A 103 41.163 61.808 20.102 1.00 0.06 H HETATM 1238 H50 ASN A 103 40.575 60.436 19.103 1.00 0.06 H HETATM 1239 H48 ASN A 103 40.770 60.276 22.140 1.00 0.08 H HETATM 1240 H47 ASN A 103 39.541 58.561 20.071 1.00 0.19 H HETATM 1241 CB ASN A 103 37.272 56.923 21.918 1.00 0.02 C HETATM 1242 CG ASN A 103 36.421 55.818 21.360 1.00 -0.04 C HETATM 1243 CD1 ASN A 103 35.879 55.921 20.090 1.00 -0.06 C HETATM 1244 CE1 ASN A 103 35.090 54.908 19.572 1.00 -0.07 C HETATM 1245 CZ ASN A 103 34.834 53.780 20.326 1.00 -0.07 C HETATM 1246 CE2 ASN A 103 35.365 53.669 21.596 1.00 -0.07 C HETATM 1247 CD2 ASN A 103 36.153 54.686 22.107 1.00 -0.06 C HETATM 1248 H43 ASN A 103 36.565 54.594 23.105 1.00 0.06 H HETATM 1249 H45 ASN A 103 35.165 52.786 22.192 1.00 0.06 H HETATM 1250 H46 ASN A 103 34.218 52.984 19.922 1.00 0.06 H HETATM 1251 H44 ASN A 103 34.674 55.000 18.575 1.00 0.06 H HETATM 1252 H42 ASN A 103 36.075 56.805 19.494 1.00 0.06 H HETATM 1253 H40 ASN A 103 36.957 57.869 21.454 1.00 0.05 H HETATM 1254 H41 ASN A 103 37.104 56.974 23.004 1.00 0.05 H HETATM 1255 H39 ASN A 103 38.936 56.526 20.605 1.00 0.08 H HETATM 1256 H38 ASN A 103 39.316 55.697 23.445 1.00 0.19 H HETATM 1257 CB ASN A 103 41.646 53.278 22.956 1.00 0.00 C HETATM 1258 CG ASN A 103 42.296 54.448 23.691 1.00 0.04 C HETATM 1259 CD ASN A 103 43.771 54.235 24.019 1.00 0.17 C HETATM 1260 OE1 ASN A 103 44.497 55.201 24.260 1.00 -0.40 O HETATM 1261 NE2 ASN A 103 44.219 52.980 24.037 1.00 -0.30 N HETATM 1262 H36 ASN A 103 45.179 52.795 24.247 1.00 0.18 H HETATM 1263 H37 ASN A 103 43.595 52.224 23.840 1.00 0.18 H HETATM 1264 H34 ASN A 103 41.752 54.609 24.634 1.00 0.05 H HETATM 1265 H35 ASN A 103 42.209 55.344 23.059 1.00 0.05 H HETATM 1266 H32 ASN A 103 42.066 53.233 21.940 1.00 0.03 H HETATM 1267 H33 ASN A 103 41.893 52.352 23.496 1.00 0.03 H HETATM 1268 H31 ASN A 103 39.712 53.605 23.836 1.00 0.08 H HETATM 1269 H30 ASN A 103 39.679 51.835 21.436 1.00 0.19 H HETATM 1270 CB ASN A 103 37.115 50.133 21.907 1.00 -0.01 C HETATM 1271 CG ASN A 103 37.139 51.098 20.732 1.00 -0.04 C HETATM 1272 CD ASN A 103 38.085 50.654 19.630 1.00 -0.01 C HETATM 1273 CE ASN A 103 37.608 51.156 18.275 1.00 -0.04 C HETATM 1274 NZ ASN A 103 38.730 51.537 17.378 1.00 0.22 N HETATM 1275 H27 ASN A 103 38.361 51.861 16.498 1.00 0.20 H HETATM 1276 H28 ASN A 103 39.321 50.736 17.220 1.00 0.20 H HETATM 1277 H29 ASN A 103 39.269 52.273 17.808 1.00 0.20 H HETATM 1278 H25 ASN A 103 36.968 52.037 18.431 1.00 0.08 H HETATM 1279 H26 ASN A 103 37.024 50.360 17.790 1.00 0.08 H HETATM 1280 H23 ASN A 103 38.128 49.555 19.613 1.00 0.03 H HETATM 1281 H24 ASN A 103 39.088 51.057 19.831 1.00 0.03 H HETATM 1282 H21 ASN A 103 37.459 52.086 21.094 1.00 0.03 H HETATM 1283 H22 ASN A 103 36.123 51.172 20.316 1.00 0.03 H HETATM 1284 H19 ASN A 103 36.378 50.502 22.635 1.00 0.03 H HETATM 1285 H20 ASN A 103 36.799 49.148 21.532 1.00 0.03 H HETATM 1286 H18 ASN A 103 39.199 49.607 21.906 1.00 0.08 H HETATM 1287 H17 ASN A 103 38.239 49.277 24.639 1.00 0.19 H HETATM 1288 CB ASN A 103 39.847 46.446 25.023 1.00 0.02 C HETATM 1289 CG ASN A 103 40.811 47.513 24.572 1.00 -0.05 C HETATM 1290 CD1 ASN A 103 41.116 48.589 25.391 1.00 -0.07 C HETATM 1291 CE1 ASN A 103 41.993 49.568 24.979 1.00 -0.04 C HETATM 1292 CZ ASN A 103 42.579 49.474 23.735 1.00 0.08 C HETATM 1293 CE2 ASN A 103 42.293 48.418 22.904 1.00 -0.04 C HETATM 1294 CD2 ASN A 103 41.417 47.444 23.323 1.00 -0.07 C HETATM 1295 H13 ASN A 103 41.196 46.609 22.668 1.00 0.05 H HETATM 1296 H15 ASN A 103 42.754 48.353 21.925 1.00 0.05 H HETATM 1297 OH ASN A 103 43.456 50.439 23.307 1.00 -0.34 O HETATM 1298 H16 ASN A 103 43.553 51.099 23.983 1.00 0.25 H HETATM 1299 H14 ASN A 103 42.221 50.406 25.628 1.00 0.05 H HETATM 1300 H12 ASN A 103 40.657 48.661 26.371 1.00 0.05 H HETATM 1301 H10 ASN A 103 40.126 45.499 24.537 1.00 0.05 H HETATM 1302 H11 ASN A 103 39.935 46.338 26.114 1.00 0.05 H HETATM 1303 H9 ASN A 103 37.937 47.311 25.518 1.00 0.08 H HETATM 1304 H8 ASN A 103 38.160 44.669 24.277 1.00 0.19 H HETATM 1305 CB ASN A 103 35.731 43.653 26.578 1.00 -0.00 C HETATM 1306 H5 ASN A 103 35.073 44.400 27.046 1.00 0.03 H HETATM 1307 H6 ASN A 103 36.726 43.698 27.044 1.00 0.03 H HETATM 1308 H7 ASN A 103 35.305 42.649 26.720 1.00 0.03 H HETATM 1309 H4 ASN A 103 34.857 43.873 24.624 1.00 0.11 H HETATM 1310 H1 ASN A 103 36.357 42.041 24.598 1.00 0.20 H HETATM 1311 H2 ASN A 103 37.650 43.031 24.840 1.00 0.20 H HETATM 1312 H3 ASN A 103 36.770 43.151 23.454 1.00 0.20 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 1193 1194 1310 1311 1312 CONECT 1194 1193 1195 1305 1309 CONECT 1195 1194 1196 1197 CONECT 1196 1195 CONECT 1197 1195 1198 1304 CONECT 1198 1197 1199 1288 1303 CONECT 1199 1198 1200 1201 CONECT 1200 1199 CONECT 1201 1199 1202 1287 CONECT 1202 1201 1203 1270 1286 CONECT 1203 1202 1204 1205 CONECT 1204 1203 CONECT 1205 1203 1206 1269 CONECT 1206 1205 1207 1257 1268 CONECT 1207 1206 1208 1209 CONECT 1208 1207 CONECT 1209 1207 1210 1256 CONECT 1210 1209 1211 1241 1255 CONECT 1211 1210 1212 1213 CONECT 1212 1211 CONECT 1213 1211 1214 1240 CONECT 1214 1213 1215 1234 1239 CONECT 1215 1214 1216 1217 CONECT 1216 1215 CONECT 1217 1215 1218 1233 CONECT 1218 1217 1219 1222 1232 CONECT 1219 1218 1220 1221 CONECT 1220 1219 CONECT 1221 1219 CONECT 1222 1218 1223 1227 1231 CONECT 1223 1222 1224 1225 1226 CONECT 1224 1223 CONECT 1225 1223 CONECT 1226 1223 CONECT 1227 1222 1228 1229 1230 CONECT 1228 1227 CONECT 1229 1227 CONECT 1230 1227 CONECT 1231 1222 CONECT 1232 1218 CONECT 1233 1217 CONECT 1234 1214 1235 1237 1238 CONECT 1235 1234 1236 CONECT 1236 1235 CONECT 1237 1234 CONECT 1238 1234 CONECT 1239 1214 CONECT 1240 1213 CONECT 1241 1210 1242 1253 1254 CONECT 1242 1241 1243 1247 CONECT 1243 1242 1244 1252 CONECT 1244 1243 1245 1251 CONECT 1245 1244 1246 1250 CONECT 1246 1245 1247 1249 CONECT 1247 1242 1246 1248 CONECT 1248 1247 CONECT 1249 1246 CONECT 1250 1245 CONECT 1251 1244 CONECT 1252 1243 CONECT 1253 1241 CONECT 1254 1241 CONECT 1255 1210 CONECT 1256 1209 CONECT 1257 1206 1258 1266 1267 CONECT 1258 1257 1259 1264 1265 CONECT 1259 1258 1260 1261 CONECT 1260 1259 CONECT 1261 1259 1262 1263 CONECT 1262 1261 CONECT 1263 1261 CONECT 1264 1258 CONECT 1265 1258 CONECT 1266 1257 CONECT 1267 1257 CONECT 1268 1206 CONECT 1269 1205 CONECT 1270 1202 1271 1284 1285 CONECT 1271 1270 1272 1282 1283 CONECT 1272 1271 1273 1280 1281 CONECT 1273 1272 1274 1278 1279 CONECT 1274 1273 1275 1276 1277 CONECT 1275 1274 CONECT 1276 1274 CONECT 1277 1274 CONECT 1278 1273 CONECT 1279 1273 CONECT 1280 1272 CONECT 1281 1272 CONECT 1282 1271 CONECT 1283 1271 CONECT 1284 1270 CONECT 1285 1270 CONECT 1286 1202 CONECT 1287 1201 CONECT 1288 1198 1289 1301 1302 CONECT 1289 1288 1290 1294 CONECT 1290 1289 1291 1300 CONECT 1291 1290 1292 1299 CONECT 1292 1291 1293 1297 CONECT 1293 1292 1294 1296 CONECT 1294 1289 1293 1295 CONECT 1295 1294 CONECT 1296 1293 CONECT 1297 1292 1298 CONECT 1298 1297 CONECT 1299 1291 CONECT 1300 1290 CONECT 1301 1288 CONECT 1302 1288 CONECT 1303 1198 CONECT 1304 1197 CONECT 1305 1194 1306 1307 1308 CONECT 1306 1305 CONECT 1307 1305 CONECT 1308 1305 CONECT 1309 1194 CONECT 1310 1193 CONECT 1311 1193 CONECT 1312 1193 MASTER 0 0 0 0 0 0 0 0 1311 1 123 9 END
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Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5heb
RCSB PDB
PDBbind
119aa, >5HEB_1|Chain... *
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RCSB PDB
PDBbind
119aa, >5HED_1|Chain... at 100%
5hey
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PDBbind
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5hfb
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PDBbind
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5hfc
RCSB PDB
PDBbind
119aa, >5HFC_1|Chain... at 99%
5hff
RCSB PDB
PDBbind
119aa, >5HFF_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1bmb
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9-mer
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1gwq
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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
1juf
RCSB PDB
PDBbind
9-mer
1kl3
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
1mpa
RCSB PDB
PDBbind
9-mer
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RCSB PDB
PDBbind
9-mer
1oai
RCSB PDB
PDBbind
9-mer
1oxn
RCSB PDB
PDBbind
9-mer
1oxq
RCSB PDB
PDBbind
9-mer
1oy7
RCSB PDB
PDBbind
9-mer
1pcg
RCSB PDB
PDBbind
9-mer
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RCSB PDB
PDBbind
9-mer
1prm
RCSB PDB
PDBbind
9-mer
1rlp
RCSB PDB
PDBbind
9-mer
1rlq
RCSB PDB
PDBbind
9-mer
1rst
RCSB PDB
PDBbind
9-mer
1utc
RCSB PDB
PDBbind
9-mer
1vwf
RCSB PDB
PDBbind
9-mer
1vwl
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PDBbind
9-mer
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
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PDBbind
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PDBbind
9-mer
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PDBbind
9-mer
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PDBbind
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PDBbind
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RCSB PDB
PDBbind
9-mer
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PDBbind
9-mer
2hkf
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PDBbind
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PDBbind
9-mer
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PDBbind
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PDBbind
9-mer
2khh
RCSB PDB
PDBbind
9-mer
2lnw
RCSB PDB
PDBbind
9-mer
2lsv
RCSB PDB
PDBbind
9-mer
2mpa
RCSB PDB
PDBbind
9-mer
2ms4
RCSB PDB
PDBbind
9-mer
2oei
RCSB PDB
PDBbind
9-mer
2oi9
RCSB PDB
PDBbind
9-mer
2q8y
RCSB PDB
PDBbind
9-mer
2qt5
RCSB PDB
PDBbind
9-mer
2rm0
RCSB PDB
PDBbind
9-mer
2v83
RCSB PDB
PDBbind
9-mer
2v86
RCSB PDB
PDBbind
9-mer
2vpe
RCSB PDB
PDBbind
9-mer
2w0z
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
5hfb
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
5hf1
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
third PDZ domain from the synaptic protein PSD-95 (G330T mutant)
Ligand Name
9-mer
EC.Number
E.C.-.-.-.-
Resolution
1.75(Å)
Affinity (Kd/Ki/IC50)
Kd=1.8uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Cell(Cambridge,Mass.) Vol. 166: pp. 1-13
Ligand Properties
Formula
C
4
0
H
6
1
N
9
O
1
1
Molecular Weight
843.966
Exact Mass
843.449
No. of atoms
121
No. of bonds
122
Polar Surface Area
350.73
LOGP Value
-2.30 (
Computed with XLOGP3
)
-0.83 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 11
No. of Hydrogen Bond Acceptors: 11
No. of Rotatable Bonds: 33
No. of Nitrogen and Oxygen Atoms: 20
No. of Rings: 2
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)CO)Cc1ccccc1)CCC(=O)N)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C)Cc1ccc(cc1)O
InChI String
InChI=1S/C40H59N9O11/c1-22(2)33(40(59)60)49-39(58)31(21-50)48-38(57)30(19-24-9-5-4-6-10-24)47-36(55)28(16-17-32(43)52)45-35(54)27(11-7-8-18-41)44-37(56)29(46-34(53)23(3)42)20-25-12-14-26(51)15-13-25/h4-6,9-10,12-15,22-23,27-31,33,50-51H,7-8,11,16-21,41-42H2,1-3H3,(H2,43,52)(H,44,56)(H,45,54)(H,46,53)(H,47,55)(H,48,57)(H,49,58)(H,59,60)/p+2/t23-,27-,28-,29-,30-,31-,33-/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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