Browse entries in the PDBbind-CN Database
HEADER 5HFF_COMPLEX COMPND 5HFF_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 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 LYS A 216 124 ATOM 1 N PRO A 299 65.609 69.428 48.576 1.00 41.45 N ATOM 2 CA PRO A 299 64.509 69.327 47.607 1.00 35.77 C ATOM 3 C PRO A 299 63.306 68.549 48.118 1.00 31.87 C ATOM 4 O PRO A 299 63.475 67.542 48.803 1.00 41.64 O ATOM 5 CB PRO A 299 65.148 68.598 46.419 1.00 39.99 C ATOM 6 CG PRO A 299 66.277 67.829 47.009 1.00 38.14 C ATOM 7 CD PRO A 299 66.803 68.688 48.127 1.00 47.88 C ATOM 8 HN2 PRO A 299 65.293 69.037 49.487 1.00 0.00 H ATOM 9 HN1 PRO A 299 65.860 70.430 48.698 1.00 0.00 H ATOM 10 N GLU A 300 62.107 69.021 47.784 1.00 23.29 N ATOM 11 CA GLU A 300 60.869 68.324 48.135 1.00 35.70 C ATOM 12 C GLU A 300 60.170 67.842 46.866 1.00 32.93 C ATOM 13 O GLU A 300 59.501 68.614 46.189 1.00 21.86 O ATOM 14 CB GLU A 300 59.960 69.248 48.941 1.00 25.98 C ATOM 15 CG GLU A 300 58.606 68.690 49.281 1.00 22.89 C ATOM 16 CD GLU A 300 57.897 69.564 50.297 1.00 37.41 C ATOM 17 OE1 GLU A 300 58.452 69.774 51.396 1.00 52.66 O ATOM 18 OE2 GLU A 300 56.803 70.064 49.994 1.00 23.95 O ATOM 19 H GLU A 300 62.048 69.915 47.256 1.00 0.00 H ATOM 20 N PHE A 301 60.324 66.570 46.512 1.00 22.85 N ATOM 21 CA PHE A 301 59.806 66.002 45.267 1.00 26.31 C ATOM 22 C PHE A 301 58.362 65.505 45.348 1.00 27.36 C ATOM 23 O PHE A 301 57.999 64.831 46.285 1.00 36.57 O ATOM 24 CB PHE A 301 60.694 64.850 44.825 1.00 23.28 C ATOM 25 CG PHE A 301 62.070 65.261 44.511 1.00 31.06 C ATOM 26 CD1 PHE A 301 62.317 65.939 43.377 1.00 22.80 C ATOM 27 CD2 PHE A 301 63.114 64.957 45.346 1.00 33.08 C ATOM 28 CE1 PHE A 301 63.576 66.305 43.042 1.00 23.58 C ATOM 29 CE2 PHE A 301 64.400 65.321 45.015 1.00 41.60 C ATOM 30 CZ PHE A 301 64.615 66.025 43.871 1.00 23.94 C ATOM 31 H PHE A 301 60.843 65.942 47.158 1.00 0.00 H ATOM 32 N LEU A 302 57.559 65.885 44.362 1.00 37.63 N ATOM 33 CA LEU A 302 56.137 65.579 44.349 1.00 35.83 C ATOM 34 C LEU A 302 55.940 64.087 44.300 1.00 37.20 C ATOM 35 O LEU A 302 55.134 63.533 45.015 1.00 36.78 O ATOM 36 CB LEU A 302 55.447 66.258 43.201 1.00 33.04 C ATOM 37 CG LEU A 302 55.128 67.732 43.453 1.00 31.08 C ATOM 38 CD1 LEU A 302 56.327 68.610 43.721 1.00 33.26 C ATOM 39 CD2 LEU A 302 54.333 68.286 42.310 1.00 35.07 C ATOM 40 H LEU A 302 57.962 66.422 43.568 1.00 0.00 H ATOM 41 N GLY A 303 56.882 63.442 43.653 1.00 39.16 N ATOM 42 CA GLY A 303 57.025 62.083 43.195 1.00 44.91 C ATOM 43 C GLY A 303 56.792 61.107 44.330 1.00 45.46 C ATOM 44 O GLY A 303 56.332 60.029 44.125 1.00 50.67 O ATOM 45 H GLY A 303 57.701 64.040 43.421 1.00 0.00 H ATOM 46 N GLU A 304 57.172 61.492 45.526 1.00 48.28 N ATOM 47 CA GLU A 304 56.939 60.695 46.723 1.00 54.90 C ATOM 48 C GLU A 304 55.454 60.615 47.134 1.00 58.86 C ATOM 49 O GLU A 304 55.026 59.636 47.723 1.00 47.89 O ATOM 50 CB GLU A 304 57.783 61.175 47.911 1.00 70.21 C ATOM 51 CG GLU A 304 59.041 61.942 47.577 1.00 69.14 C ATOM 52 CD GLU A 304 60.288 61.089 47.533 1.00 81.39 C ATOM 53 OE1 GLU A 304 61.049 61.219 46.555 1.00 87.10 O ATOM 54 OE2 GLU A 304 60.525 60.302 48.479 1.00 83.77 O ATOM 55 H GLU A 304 57.660 62.405 45.623 1.00 0.00 H ATOM 56 N GLU A 305 54.747 61.737 47.046 1.00 41.98 N ATOM 57 CA GLU A 305 53.482 62.026 47.686 1.00 40.35 C ATOM 58 C GLU A 305 52.391 61.225 47.031 1.00 39.01 C ATOM 59 O GLU A 305 52.370 61.074 45.815 1.00 37.86 O ATOM 60 CB GLU A 305 53.164 63.524 47.608 1.00 37.86 C ATOM 61 CG GLU A 305 54.181 64.340 48.372 1.00 39.59 C ATOM 62 CD GLU A 305 54.236 65.797 47.961 1.00 38.16 C ATOM 63 OE1 GLU A 305 53.356 66.237 47.191 1.00 34.79 O ATOM 64 OE2 GLU A 305 55.186 66.490 48.400 1.00 39.11 O ATOM 65 H GLU A 305 55.147 62.491 46.451 1.00 0.00 H ATOM 66 N ASP A 306 51.477 60.725 47.845 1.00 39.37 N ATOM 67 CA ASP A 306 50.376 59.927 47.331 1.00 38.45 C ATOM 68 C ASP A 306 49.499 60.774 46.420 1.00 35.28 C ATOM 69 O ASP A 306 49.224 61.946 46.694 1.00 33.72 O ATOM 70 CB ASP A 306 49.544 59.346 48.474 1.00 39.45 C ATOM 71 CG ASP A 306 50.343 58.395 49.359 1.00 54.12 C ATOM 72 OD1 ASP A 306 51.283 57.729 48.857 1.00 51.54 O ATOM 73 OD2 ASP A 306 50.022 58.313 50.563 1.00 63.97 O ATOM 74 H ASP A 306 51.547 60.905 48.867 1.00 0.00 H ATOM 75 N ILE A 307 49.073 60.168 45.321 1.00 24.22 N ATOM 76 CA ILE A 307 48.119 60.797 44.446 1.00 20.07 C ATOM 77 C ILE A 307 46.758 60.659 45.124 1.00 17.69 C ATOM 78 O ILE A 307 46.374 59.550 45.487 1.00 18.69 O ATOM 79 CB ILE A 307 48.134 60.152 43.071 1.00 19.66 C ATOM 80 CG1 ILE A 307 49.484 60.397 42.373 1.00 26.00 C ATOM 81 CG2 ILE A 307 46.960 60.673 42.207 1.00 15.78 C ATOM 82 CD1 ILE A 307 49.648 59.624 41.112 1.00 31.93 C ATOM 83 H ILE A 307 49.434 59.221 45.087 1.00 0.00 H ATOM 84 N PRO A 308 46.020 61.764 45.309 1.00 15.37 N ATOM 85 CA PRO A 308 44.695 61.667 45.929 1.00 15.34 C ATOM 86 C PRO A 308 43.701 60.770 45.215 1.00 15.50 C ATOM 87 O PRO A 308 43.632 60.793 43.982 1.00 13.62 O ATOM 88 CB PRO A 308 44.176 63.102 45.897 1.00 30.09 C ATOM 89 CG PRO A 308 45.393 63.932 45.864 1.00 32.40 C ATOM 90 CD PRO A 308 46.372 63.167 45.026 1.00 43.73 C ATOM 91 N ARG A 309 42.966 59.990 46.007 1.00 15.00 N ATOM 92 CA ARG A 309 42.081 58.950 45.476 1.00 14.65 C ATOM 93 C ARG A 309 40.592 59.286 45.594 1.00 14.67 C ATOM 94 O ARG A 309 39.738 58.534 45.125 1.00 14.58 O ATOM 95 CB ARG A 309 42.394 57.621 46.164 1.00 16.63 C ATOM 96 CG ARG A 309 43.640 56.984 45.538 1.00 20.22 C ATOM 97 CD ARG A 309 44.003 55.700 46.192 1.00 35.12 C ATOM 98 NE ARG A 309 45.252 55.178 45.655 1.00 33.74 N ATOM 99 CZ ARG A 309 45.357 54.243 44.721 1.00 33.35 C ATOM 100 NH1 ARG A 309 44.283 53.678 44.170 1.00 16.15 N ATOM 101 NH2 ARG A 309 46.563 53.844 44.368 1.00 18.90 N ATOM 102 HE ARG A 309 46.136 55.572 46.036 1.00 0.00 H ATOM 103 HH12 ARG A 309 44.397 52.947 43.439 1.00 0.00 H ATOM 104 HH11 ARG A 309 43.331 53.968 44.471 1.00 0.00 H ATOM 105 HH22 ARG A 309 46.676 53.112 43.638 1.00 0.00 H ATOM 106 HH21 ARG A 309 47.402 54.261 44.820 1.00 0.00 H ATOM 107 H ARG A 309 43.022 60.124 47.037 1.00 0.00 H ATOM 108 N GLU A 310 40.275 60.440 46.160 1.00 14.98 N ATOM 109 CA GLU A 310 38.872 60.820 46.272 1.00 15.22 C ATOM 110 C GLU A 310 38.409 61.450 44.960 1.00 14.29 C ATOM 111 O GLU A 310 39.240 61.919 44.178 1.00 13.60 O ATOM 112 CB GLU A 310 38.619 61.792 47.432 1.00 33.06 C ATOM 113 CG GLU A 310 39.694 62.801 47.672 1.00 46.02 C ATOM 114 CD GLU A 310 40.837 62.228 48.507 1.00 48.55 C ATOM 115 OE1 GLU A 310 40.617 61.830 49.674 1.00 70.20 O ATOM 116 OE2 GLU A 310 41.955 62.156 47.977 1.00 37.18 O ATOM 117 H GLU A 310 41.020 61.070 46.521 1.00 0.00 H ATOM 118 N PRO A 311 37.091 61.473 44.726 1.00 14.96 N ATOM 119 CA PRO A 311 36.562 62.082 43.495 1.00 13.83 C ATOM 120 C PRO A 311 36.808 63.584 43.452 1.00 13.82 C ATOM 121 O PRO A 311 36.757 64.235 44.484 1.00 14.69 O ATOM 122 CB PRO A 311 35.072 61.780 43.555 1.00 16.54 C ATOM 123 CG PRO A 311 34.903 60.749 44.597 1.00 21.24 C ATOM 124 CD PRO A 311 36.010 60.924 45.568 1.00 17.97 C ATOM 125 N ARG A 312 37.081 64.104 42.269 1.00 13.09 N ATOM 126 CA ARG A 312 37.348 65.521 42.058 1.00 13.23 C ATOM 127 C ARG A 312 36.434 66.036 40.967 1.00 13.07 C ATOM 128 O ARG A 312 36.082 65.280 40.073 1.00 12.54 O ATOM 129 CB ARG A 312 38.772 65.769 41.608 1.00 13.86 C ATOM 130 CG ARG A 312 39.858 65.259 42.504 1.00 25.71 C ATOM 131 CD ARG A 312 40.659 64.160 41.846 1.00 18.44 C ATOM 132 NE ARG A 312 41.217 64.472 40.537 1.00 13.50 N ATOM 133 CZ ARG A 312 41.515 63.544 39.640 1.00 12.45 C ATOM 134 NH1 ARG A 312 41.353 62.276 39.937 1.00 14.71 N ATOM 135 NH2 ARG A 312 42.022 63.870 38.450 1.00 13.72 N ATOM 136 HE ARG A 312 41.389 65.469 40.296 1.00 0.00 H ATOM 137 HH12 ARG A 312 41.586 61.544 39.236 1.00 0.00 H ATOM 138 HH11 ARG A 312 40.992 62.003 40.873 1.00 0.00 H ATOM 139 HH22 ARG A 312 42.249 63.126 37.760 1.00 0.00 H ATOM 140 HH21 ARG A 312 42.190 64.868 38.212 1.00 0.00 H ATOM 141 H ARG A 312 37.107 63.469 41.445 1.00 0.00 H ATOM 142 N ARG A 313 36.106 67.324 41.050 1.00 13.70 N ATOM 143 CA ARG A 313 35.354 68.007 39.979 1.00 13.76 C ATOM 144 C ARG A 313 36.360 68.764 39.112 1.00 13.41 C ATOM 145 O ARG A 313 37.153 69.566 39.616 1.00 13.89 O ATOM 146 CB ARG A 313 34.312 68.956 40.535 1.00 14.97 C ATOM 147 CG ARG A 313 33.483 69.667 39.432 1.00 15.27 C ATOM 148 CD ARG A 313 32.420 70.597 39.993 1.00 23.11 C ATOM 149 NE ARG A 313 31.504 69.903 40.877 1.00 28.38 N ATOM 150 CZ ARG A 313 31.573 69.907 42.210 1.00 33.09 C ATOM 151 NH1 ARG A 313 32.525 70.583 42.849 1.00 39.08 N ATOM 152 NH2 ARG A 313 30.679 69.216 42.907 1.00 33.11 N ATOM 153 HE ARG A 313 30.733 69.360 40.438 1.00 0.00 H ATOM 154 HH12 ARG A 313 32.561 70.573 43.888 1.00 0.00 H ATOM 155 HH11 ARG A 313 33.233 71.121 42.309 1.00 0.00 H ATOM 156 HH22 ARG A 313 30.721 69.210 43.946 1.00 0.00 H ATOM 157 HH21 ARG A 313 29.936 68.680 42.414 1.00 0.00 H ATOM 158 H ARG A 313 36.388 67.864 41.893 1.00 0.00 H ATOM 159 N ILE A 314 36.276 68.550 37.815 1.00 12.82 N ATOM 160 CA ILE A 314 37.120 69.246 36.849 1.00 12.66 C ATOM 161 C ILE A 314 36.208 69.962 35.859 1.00 13.08 C ATOM 162 O ILE A 314 35.309 69.338 35.318 1.00 13.89 O ATOM 163 CB ILE A 314 38.016 68.267 36.127 1.00 13.24 C ATOM 164 CG1 ILE A 314 39.048 67.662 37.090 1.00 21.70 C ATOM 165 CG2 ILE A 314 38.748 68.938 35.007 1.00 16.56 C ATOM 166 CD1 ILE A 314 38.643 66.335 37.655 1.00 21.80 C ATOM 167 H ILE A 314 35.582 67.859 37.466 1.00 0.00 H ATOM 168 N VAL A 315 36.475 71.228 35.569 1.00 13.80 N ATOM 169 CA VAL A 315 35.695 71.919 34.534 1.00 14.35 C ATOM 170 C VAL A 315 36.623 72.297 33.410 1.00 14.21 C ATOM 171 O VAL A 315 37.612 72.998 33.623 1.00 15.47 O ATOM 172 CB VAL A 315 34.976 73.148 35.103 1.00 22.56 C ATOM 173 CG1 VAL A 315 34.127 73.808 34.012 1.00 24.63 C ATOM 174 CG2 VAL A 315 34.113 72.731 36.284 1.00 17.60 C ATOM 175 H VAL A 315 37.234 71.730 36.073 1.00 0.00 H ATOM 176 N ILE A 316 36.319 71.832 32.212 1.00 14.95 N ATOM 177 CA ILE A 316 37.145 72.123 31.049 1.00 15.39 C ATOM 178 C ILE A 316 36.347 72.995 30.118 1.00 15.11 C ATOM 179 O ILE A 316 35.239 72.667 29.769 1.00 16.03 O ATOM 180 CB ILE A 316 37.582 70.844 30.354 1.00 15.10 C ATOM 181 CG1 ILE A 316 38.494 70.021 31.267 1.00 18.60 C ATOM 182 CG2 ILE A 316 38.258 71.146 29.036 1.00 16.89 C ATOM 183 CD1 ILE A 316 38.702 68.614 30.744 1.00 26.86 C ATOM 184 H ILE A 316 35.469 71.244 32.097 1.00 0.00 H ATOM 185 N HIS A 317 36.932 74.109 29.688 1.00 15.69 N ATOM 186 CA HIS A 317 36.267 74.986 28.741 1.00 18.13 C ATOM 187 C HIS A 317 36.929 74.795 27.400 1.00 23.12 C ATOM 188 O HIS A 317 38.089 75.171 27.229 1.00 27.58 O ATOM 189 CB HIS A 317 36.353 76.441 29.190 1.00 38.05 C ATOM 190 CG HIS A 317 35.892 76.648 30.595 1.00 36.45 C ATOM 191 ND1 HIS A 317 34.553 76.735 30.925 1.00 46.78 N ATOM 192 CD2 HIS A 317 36.571 76.744 31.753 1.00 33.07 C ATOM 193 CE1 HIS A 317 34.435 76.888 32.229 1.00 46.65 C ATOM 194 NE2 HIS A 317 35.655 76.906 32.761 1.00 41.36 N ATOM 195 H HIS A 317 37.881 74.356 30.035 1.00 0.00 H ATOM 196 N ARG A 318 36.243 74.154 26.455 1.00 19.55 N ATOM 197 CA ARG A 318 36.917 73.804 25.206 1.00 16.58 C ATOM 198 C ARG A 318 36.258 74.369 23.968 1.00 22.85 C ATOM 199 O ARG A 318 36.671 74.064 22.848 1.00 26.12 O ATOM 200 CB ARG A 318 37.042 72.282 25.062 1.00 15.77 C ATOM 201 CG ARG A 318 35.768 71.488 25.312 1.00 19.76 C ATOM 202 CD ARG A 318 34.829 71.502 24.163 1.00 18.14 C ATOM 203 NE ARG A 318 33.733 70.565 24.409 1.00 18.61 N ATOM 204 CZ ARG A 318 33.679 69.305 23.980 1.00 16.89 C ATOM 205 NH1 ARG A 318 34.632 68.808 23.212 1.00 15.74 N ATOM 206 NH2 ARG A 318 32.642 68.534 24.297 1.00 15.32 N ATOM 207 HE ARG A 318 32.927 70.912 24.967 1.00 0.00 H ATOM 208 HH12 ARG A 318 34.575 67.822 22.885 1.00 0.00 H ATOM 209 HH11 ARG A 318 35.439 69.402 22.934 1.00 0.00 H ATOM 210 HH22 ARG A 318 32.603 67.551 23.960 1.00 0.00 H ATOM 211 HH21 ARG A 318 31.870 68.915 24.881 1.00 0.00 H ATOM 212 H ARG A 318 35.244 73.907 26.603 1.00 0.00 H ATOM 213 N GLY A 319 35.240 75.198 24.142 1.00 21.24 N ATOM 214 CA GLY A 319 34.556 75.745 22.981 1.00 24.94 C ATOM 215 C GLY A 319 34.080 74.650 22.033 1.00 23.29 C ATOM 216 O GLY A 319 33.327 73.765 22.454 1.00 29.60 O ATOM 217 H GLY A 319 34.932 75.456 25.101 1.00 0.00 H ATOM 218 N SER A 320 34.518 74.712 20.773 1.00 21.85 N ATOM 219 CA SER A 320 34.176 73.696 19.753 1.00 19.85 C ATOM 220 C SER A 320 35.399 72.973 19.168 1.00 19.14 C ATOM 221 O SER A 320 35.543 72.837 17.944 1.00 19.85 O ATOM 222 CB SER A 320 33.371 74.327 18.633 1.00 24.95 C ATOM 223 OG SER A 320 32.106 74.763 19.118 1.00 25.94 O ATOM 224 HG SER A 320 32.242 75.432 19.835 1.00 0.00 H ATOM 225 H SER A 320 35.126 75.509 20.497 1.00 0.00 H ATOM 226 N THR A 321 36.273 72.529 20.065 1.00 17.91 N ATOM 227 CA THR A 321 37.401 71.663 19.720 1.00 17.20 C ATOM 228 C THR A 321 37.292 70.394 20.563 1.00 15.86 C ATOM 229 O THR A 321 36.504 70.353 21.501 1.00 17.67 O ATOM 230 CB THR A 321 38.763 72.339 20.000 1.00 24.82 C ATOM 231 OG1 THR A 321 38.917 72.536 21.413 1.00 29.83 O ATOM 232 CG2 THR A 321 38.838 73.683 19.311 1.00 22.33 C ATOM 233 HG1 THR A 321 38.186 73.115 21.746 1.00 0.00 H ATOM 234 H THR A 321 36.150 72.810 21.059 1.00 0.00 H ATOM 235 N GLY A 322 38.090 69.391 20.241 1.00 15.32 N ATOM 236 CA GLY A 322 38.176 68.188 21.052 1.00 14.24 C ATOM 237 C GLY A 322 38.712 68.430 22.452 1.00 14.07 C ATOM 238 O GLY A 322 39.414 69.383 22.693 1.00 16.17 O ATOM 239 H GLY A 322 38.673 69.465 19.383 1.00 0.00 H ATOM 240 N LEU A 323 38.388 67.559 23.394 1.00 13.22 N ATOM 241 CA LEU A 323 38.858 67.744 24.763 1.00 12.12 C ATOM 242 C LEU A 323 40.345 67.437 24.904 1.00 11.82 C ATOM 243 O LEU A 323 41.021 67.926 25.814 1.00 14.65 O ATOM 244 CB LEU A 323 38.058 66.857 25.706 1.00 11.58 C ATOM 245 CG LEU A 323 36.627 67.289 25.938 1.00 12.60 C ATOM 246 CD1 LEU A 323 35.744 66.088 26.214 1.00 15.41 C ATOM 247 CD2 LEU A 323 36.565 68.270 27.081 1.00 17.61 C ATOM 248 H LEU A 323 37.795 66.738 23.157 1.00 0.00 H ATOM 249 N GLY A 324 40.866 66.593 24.025 1.00 11.86 N ATOM 250 CA GLY A 324 42.284 66.288 24.063 1.00 11.85 C ATOM 251 C GLY A 324 42.690 65.180 25.015 1.00 11.20 C ATOM 252 O GLY A 324 43.736 65.252 25.679 1.00 11.19 O ATOM 253 H GLY A 324 40.258 66.149 23.307 1.00 0.00 H ATOM 254 N PHE A 325 41.886 64.126 25.064 1.00 10.89 N ATOM 255 CA PHE A 325 42.311 62.924 25.787 1.00 10.54 C ATOM 256 C PHE A 325 41.633 61.708 25.204 1.00 10.73 C ATOM 257 O PHE A 325 40.650 61.815 24.448 1.00 11.05 O ATOM 258 CB PHE A 325 42.093 63.022 27.324 1.00 10.53 C ATOM 259 CG PHE A 325 40.666 63.131 27.795 1.00 9.92 C ATOM 260 CD1 PHE A 325 39.925 62.006 28.082 1.00 10.70 C ATOM 261 CD2 PHE A 325 40.091 64.372 28.034 1.00 10.15 C ATOM 262 CE1 PHE A 325 38.633 62.104 28.542 1.00 14.12 C ATOM 263 CE2 PHE A 325 38.820 64.466 28.521 1.00 10.10 C ATOM 264 CZ PHE A 325 38.079 63.354 28.765 1.00 10.10 C ATOM 265 H PHE A 325 40.960 64.152 24.592 1.00 0.00 H ATOM 266 N ASN A 326 42.195 60.539 25.506 1.00 10.76 N ATOM 267 CA ASN A 326 41.683 59.252 25.044 1.00 11.21 C ATOM 268 C ASN A 326 41.072 58.537 26.234 1.00 11.01 C ATOM 269 O ASN A 326 41.560 58.673 27.356 1.00 10.58 O ATOM 270 CB ASN A 326 42.787 58.374 24.441 1.00 11.78 C ATOM 271 CG ASN A 326 42.690 58.228 22.921 1.00 12.60 C ATOM 272 OD1 ASN A 326 42.744 57.113 22.383 1.00 14.33 O ATOM 273 ND2 ASN A 326 42.585 59.341 22.228 1.00 12.59 N ATOM 274 HD22 ASN A 326 42.543 60.257 22.719 1.00 0.00 H ATOM 275 HD21 ASN A 326 42.544 59.305 21.189 1.00 0.00 H ATOM 276 H ASN A 326 43.046 60.543 26.104 1.00 0.00 H ATOM 277 N ILE A 327 39.995 57.793 25.972 1.00 11.51 N ATOM 278 CA ILE A 327 39.368 56.943 26.965 1.00 11.68 C ATOM 279 C ILE A 327 39.456 55.490 26.514 1.00 13.20 C ATOM 280 O ILE A 327 39.472 55.185 25.329 1.00 13.27 O ATOM 281 CB ILE A 327 37.910 57.329 27.186 1.00 11.84 C ATOM 282 CG1 ILE A 327 37.102 57.254 25.906 1.00 12.63 C ATOM 283 CG2 ILE A 327 37.839 58.721 27.778 1.00 12.02 C ATOM 284 CD1 ILE A 327 35.626 57.406 26.119 1.00 13.17 C ATOM 285 H ILE A 327 39.589 57.824 25.015 1.00 0.00 H ATOM 286 N VAL A 328 39.511 54.577 27.491 1.00 12.89 N ATOM 287 CA VAL A 328 39.467 53.165 27.216 1.00 14.05 C ATOM 288 C VAL A 328 38.358 52.563 28.074 1.00 14.66 C ATOM 289 O VAL A 328 38.072 53.039 29.166 1.00 14.08 O ATOM 290 CB VAL A 328 40.831 52.486 27.499 1.00 14.24 C ATOM 291 CG1 VAL A 328 41.875 53.038 26.597 1.00 23.86 C ATOM 292 CG2 VAL A 328 41.249 52.705 28.938 1.00 13.61 C ATOM 293 H VAL A 328 39.588 54.897 28.478 1.00 0.00 H ATOM 294 N GLY A 329 37.733 51.523 27.564 1.00 16.02 N ATOM 295 CA GLY A 329 36.805 50.750 28.364 1.00 17.01 C ATOM 296 C GLY A 329 36.429 49.498 27.614 1.00 21.73 C ATOM 297 O GLY A 329 37.229 48.967 26.848 1.00 20.21 O ATOM 298 H GLY A 329 37.907 51.253 26.575 1.00 0.00 H ATOM 299 N THR A 330 35.205 49.037 27.829 1.00 34.78 N ATOM 300 CA THR A 330 34.644 47.937 27.042 1.00 37.63 C ATOM 301 C THR A 330 33.254 48.317 26.532 1.00 48.84 C ATOM 302 O THR A 330 32.716 49.367 26.890 1.00 37.28 O ATOM 303 CB THR A 330 34.558 46.654 27.872 1.00 39.40 C ATOM 304 OG1 THR A 330 33.620 46.840 28.932 1.00 34.35 O ATOM 305 CG2 THR A 330 35.916 46.333 28.469 1.00 36.11 C ATOM 306 HG1 THR A 330 33.563 46.011 29.470 1.00 0.00 H ATOM 307 H THR A 330 34.627 49.469 28.578 1.00 0.00 H ATOM 308 N GLU A 331 32.681 47.476 25.669 1.00 51.61 N ATOM 309 CA GLU A 331 31.332 47.851 25.273 1.00 67.65 C ATOM 310 C GLU A 331 30.265 47.285 26.203 1.00 59.31 C ATOM 311 O GLU A 331 29.112 47.359 25.915 1.00 61.24 O ATOM 312 CB GLU A 331 31.021 47.544 23.807 1.00 71.37 C ATOM 313 CG GLU A 331 30.601 48.792 22.999 1.00 76.87 C ATOM 314 CD GLU A 331 31.557 49.954 23.161 1.00 76.95 C ATOM 315 OE1 GLU A 331 32.596 49.812 23.796 1.00 72.77 O ATOM 316 OE2 GLU A 331 31.262 51.013 22.679 1.00 79.82 O ATOM 317 H GLU A 331 33.158 46.625 25.310 1.00 0.00 H ATOM 318 N ASP A 332 30.682 46.748 27.324 1.00 68.09 N ATOM 319 CA ASP A 332 29.760 46.231 28.329 1.00 75.04 C ATOM 320 C ASP A 332 30.051 46.836 29.715 1.00 66.76 C ATOM 321 O ASP A 332 29.768 46.226 30.743 1.00 67.63 O ATOM 322 CB ASP A 332 29.842 44.701 28.376 1.00 85.36 C ATOM 323 H ASP A 332 31.705 46.689 27.503 1.00 0.00 H ATOM 324 N GLY A 333 30.615 48.040 29.744 1.00 48.42 N ATOM 325 CA GLY A 333 30.664 48.878 30.943 1.00 45.93 C ATOM 326 C GLY A 333 31.233 48.535 32.309 1.00 57.09 C ATOM 327 O GLY A 333 30.458 48.479 33.247 1.00 69.35 O ATOM 328 H GLY A 333 31.043 48.405 28.869 1.00 0.00 H ATOM 329 N GLU A 334 32.541 48.284 32.437 1.00 57.77 N ATOM 330 CA GLU A 334 33.205 48.119 33.759 1.00 52.61 C ATOM 331 C GLU A 334 34.140 49.293 34.160 1.00 47.98 C ATOM 332 O GLU A 334 35.139 49.105 34.853 1.00 39.58 O ATOM 333 CB GLU A 334 33.991 46.825 33.836 1.00 60.65 C ATOM 334 CG GLU A 334 34.765 46.515 32.582 1.00 64.09 C ATOM 335 CD GLU A 334 35.010 45.023 32.374 1.00 66.06 C ATOM 336 OE1 GLU A 334 36.177 44.593 32.404 1.00 68.63 O ATOM 337 OE2 GLU A 334 34.042 44.282 32.150 1.00 73.34 O ATOM 338 H GLU A 334 33.118 48.201 31.576 1.00 0.00 H ATOM 339 N GLY A 335 33.817 50.476 33.692 1.00 27.25 N ATOM 340 CA GLY A 335 34.657 51.662 33.871 1.00 21.02 C ATOM 341 C GLY A 335 35.132 52.281 32.575 1.00 19.58 C ATOM 342 O GLY A 335 35.408 51.597 31.603 1.00 20.66 O ATOM 343 H GLY A 335 32.923 50.576 33.170 1.00 0.00 H ATOM 344 N ILE A 336 35.201 53.608 32.563 1.00 14.84 N ATOM 345 CA ILE A 336 35.763 54.377 31.469 1.00 11.98 C ATOM 346 C ILE A 336 36.947 55.091 32.046 1.00 11.00 C ATOM 347 O ILE A 336 36.758 55.832 32.995 1.00 11.68 O ATOM 348 CB ILE A 336 34.763 55.401 30.923 1.00 18.96 C ATOM 349 CG1 ILE A 336 33.481 54.720 30.437 1.00 25.65 C ATOM 350 CG2 ILE A 336 35.384 56.228 29.827 1.00 23.07 C ATOM 351 CD1 ILE A 336 33.709 53.727 29.363 1.00 27.93 C ATOM 352 H ILE A 336 34.831 54.125 33.386 1.00 0.00 H ATOM 353 N PHE A 337 38.139 54.866 31.502 1.00 10.56 N ATOM 354 CA PHE A 337 39.369 55.435 32.056 1.00 10.13 C ATOM 355 C PHE A 337 40.134 56.275 31.048 1.00 10.14 C ATOM 356 O PHE A 337 40.101 55.991 29.850 1.00 9.20 O ATOM 357 CB PHE A 337 40.291 54.318 32.580 1.00 11.05 C ATOM 358 CG PHE A 337 39.644 53.428 33.591 1.00 12.16 C ATOM 359 CD1 PHE A 337 38.847 52.371 33.185 1.00 12.90 C ATOM 360 CD2 PHE A 337 39.826 53.631 34.942 1.00 13.03 C ATOM 361 CE1 PHE A 337 38.247 51.549 34.108 1.00 18.42 C ATOM 362 CE2 PHE A 337 39.220 52.822 35.859 1.00 21.05 C ATOM 363 CZ PHE A 337 38.434 51.791 35.451 1.00 16.46 C ATOM 364 H PHE A 337 38.200 54.266 30.655 1.00 0.00 H ATOM 365 N ILE A 338 40.819 57.293 31.545 1.00 9.40 N ATOM 366 CA ILE A 338 41.686 58.113 30.716 1.00 10.66 C ATOM 367 C ILE A 338 43.007 57.379 30.483 1.00 10.05 C ATOM 368 O ILE A 338 43.706 57.031 31.422 1.00 10.17 O ATOM 369 CB ILE A 338 41.957 59.471 31.343 1.00 12.39 C ATOM 370 CG1 ILE A 338 40.658 60.269 31.527 1.00 16.60 C ATOM 371 CG2 ILE A 338 42.971 60.237 30.459 1.00 8.54 C ATOM 372 CD1 ILE A 338 40.876 61.702 32.128 1.00 17.76 C ATOM 373 H ILE A 338 40.734 57.512 32.558 1.00 0.00 H ATOM 374 N SER A 339 43.363 57.181 29.231 1.00 9.88 N ATOM 375 CA SER A 339 44.596 56.458 28.882 1.00 11.28 C ATOM 376 C SER A 339 45.717 57.343 28.393 1.00 12.77 C ATOM 377 O SER A 339 46.865 56.889 28.283 1.00 14.25 O ATOM 378 CB SER A 339 44.327 55.456 27.794 1.00 12.88 C ATOM 379 OG SER A 339 43.784 56.153 26.669 1.00 12.41 O ATOM 380 HG SER A 339 43.600 55.508 25.940 1.00 0.00 H ATOM 381 H SER A 339 42.757 57.545 28.469 1.00 0.00 H ATOM 382 N PHE A 340 45.379 58.563 28.008 1.00 11.66 N ATOM 383 CA PHE A 340 46.315 59.441 27.289 1.00 9.70 C ATOM 384 C PHE A 340 45.756 60.868 27.332 1.00 8.90 C ATOM 385 O PHE A 340 44.584 61.070 27.069 1.00 9.63 O ATOM 386 CB PHE A 340 46.486 58.975 25.839 1.00 11.46 C ATOM 387 CG PHE A 340 47.315 59.893 24.965 1.00 10.32 C ATOM 388 CD1 PHE A 340 46.738 60.987 24.351 1.00 10.18 C ATOM 389 CD2 PHE A 340 48.656 59.624 24.718 1.00 15.61 C ATOM 390 CE1 PHE A 340 47.465 61.817 23.549 1.00 12.79 C ATOM 391 CE2 PHE A 340 49.399 60.446 23.914 1.00 16.70 C ATOM 392 CZ PHE A 340 48.814 61.558 23.335 1.00 12.97 C ATOM 393 H PHE A 340 44.422 58.912 28.220 1.00 0.00 H ATOM 394 N ILE A 341 46.590 61.836 27.665 1.00 9.15 N ATOM 395 CA ILE A 341 46.223 63.240 27.566 1.00 8.91 C ATOM 396 C ILE A 341 47.156 63.936 26.603 1.00 9.49 C ATOM 397 O ILE A 341 48.361 63.813 26.686 1.00 10.53 O ATOM 398 CB ILE A 341 46.262 63.889 28.928 1.00 9.51 C ATOM 399 CG1 ILE A 341 45.274 63.170 29.849 1.00 12.31 C ATOM 400 CG2 ILE A 341 45.987 65.393 28.866 1.00 13.18 C ATOM 401 CD1 ILE A 341 45.364 63.558 31.244 1.00 16.55 C ATOM 402 H ILE A 341 47.539 61.587 28.009 1.00 0.00 H ATOM 403 N LEU A 342 46.560 64.642 25.660 1.00 10.40 N ATOM 404 CA LEU A 342 47.315 65.333 24.638 1.00 11.69 C ATOM 405 C LEU A 342 47.988 66.578 25.180 1.00 11.58 C ATOM 406 O LEU A 342 47.329 67.434 25.771 1.00 12.64 O ATOM 407 CB LEU A 342 46.380 65.695 23.498 1.00 9.96 C ATOM 408 CG LEU A 342 47.005 66.498 22.349 1.00 13.27 C ATOM 409 CD1 LEU A 342 48.052 65.651 21.645 1.00 18.81 C ATOM 410 CD2 LEU A 342 45.927 66.978 21.401 1.00 18.88 C ATOM 411 H LEU A 342 45.522 64.703 25.652 1.00 0.00 H ATOM 412 N ALA A 343 49.294 66.705 24.907 1.00 12.54 N ATOM 413 CA ALA A 343 50.061 67.880 25.284 1.00 15.36 C ATOM 414 C ALA A 343 49.469 69.101 24.588 1.00 16.53 C ATOM 415 O ALA A 343 49.308 69.110 23.366 1.00 17.96 O ATOM 416 CB ALA A 343 51.566 67.723 24.903 1.00 15.35 C ATOM 417 H ALA A 343 49.777 65.932 24.406 1.00 0.00 H ATOM 418 N GLY A 344 49.138 70.115 25.366 1.00 16.62 N ATOM 419 CA GLY A 344 48.621 71.350 24.802 1.00 17.93 C ATOM 420 C GLY A 344 47.138 71.389 24.518 1.00 19.60 C ATOM 421 O GLY A 344 46.598 72.445 24.144 1.00 15.42 O ATOM 422 H GLY A 344 49.249 70.029 26.396 1.00 0.00 H ATOM 423 N GLY A 345 46.459 70.261 24.693 1.00 12.92 N ATOM 424 CA GLY A 345 45.015 70.220 24.488 1.00 16.71 C ATOM 425 C GLY A 345 44.218 70.814 25.646 1.00 17.53 C ATOM 426 O GLY A 345 44.752 71.111 26.694 1.00 12.29 O ATOM 427 H GLY A 345 46.962 69.397 24.979 1.00 0.00 H ATOM 428 N PRO A 346 42.914 70.980 25.465 1.00 12.29 N ATOM 429 CA PRO A 346 42.126 71.573 26.560 1.00 12.43 C ATOM 430 C PRO A 346 42.193 70.804 27.885 1.00 11.88 C ATOM 431 O PRO A 346 42.272 71.479 28.907 1.00 16.15 O ATOM 432 CB PRO A 346 40.696 71.575 25.993 1.00 17.70 C ATOM 433 CG PRO A 346 40.908 71.700 24.528 1.00 16.98 C ATOM 434 CD PRO A 346 42.130 70.849 24.227 1.00 12.60 C ATOM 435 N ALA A 347 42.152 69.472 27.892 1.00 11.62 N ATOM 436 CA ALA A 347 42.263 68.709 29.138 1.00 14.61 C ATOM 437 C ALA A 347 43.618 68.990 29.794 1.00 18.14 C ATOM 438 O ALA A 347 43.693 69.210 30.988 1.00 18.74 O ATOM 439 CB ALA A 347 42.094 67.232 28.899 1.00 11.45 C ATOM 440 H ALA A 347 42.039 68.962 26.993 1.00 0.00 H ATOM 441 N ASP A 348 44.681 69.014 29.011 1.00 15.57 N ATOM 442 CA ASP A 348 45.999 69.375 29.564 1.00 15.80 C ATOM 443 C ASP A 348 46.030 70.786 30.118 1.00 17.18 C ATOM 444 O ASP A 348 46.552 71.004 31.228 1.00 20.06 O ATOM 445 CB ASP A 348 47.090 69.215 28.509 1.00 13.79 C ATOM 446 CG ASP A 348 48.491 69.457 29.066 1.00 16.73 C ATOM 447 OD1 ASP A 348 48.699 69.238 30.288 1.00 17.95 O ATOM 448 OD2 ASP A 348 49.379 69.881 28.288 1.00 17.66 O ATOM 449 H ASP A 348 44.588 68.778 28.002 1.00 0.00 H ATOM 450 N LEU A 349 45.512 71.751 29.358 1.00 18.68 N ATOM 451 CA LEU A 349 45.548 73.151 29.770 1.00 17.50 C ATOM 452 C LEU A 349 44.815 73.329 31.093 1.00 36.33 C ATOM 453 O LEU A 349 45.122 74.227 31.859 1.00 40.61 O ATOM 454 CB LEU A 349 44.963 74.056 28.693 1.00 18.46 C ATOM 455 CG LEU A 349 45.743 74.079 27.383 1.00 36.43 C ATOM 456 CD1 LEU A 349 44.999 74.865 26.321 1.00 43.87 C ATOM 457 CD2 LEU A 349 47.120 74.653 27.598 1.00 33.73 C ATOM 458 H LEU A 349 45.072 71.500 28.450 1.00 0.00 H ATOM 459 N SER A 350 43.871 72.440 31.362 1.00 29.48 N ATOM 460 CA SER A 350 43.177 72.397 32.642 1.00 31.98 C ATOM 461 C SER A 350 44.062 71.909 33.802 1.00 26.05 C ATOM 462 O SER A 350 44.002 72.456 34.911 1.00 28.90 O ATOM 463 CB SER A 350 41.966 71.514 32.485 1.00 16.45 C ATOM 464 OG SER A 350 41.697 70.777 33.631 1.00 18.57 O ATOM 465 HG SER A 350 40.896 70.215 33.480 1.00 0.00 H ATOM 466 H SER A 350 43.615 71.746 30.631 1.00 0.00 H ATOM 467 N GLY A 351 44.856 70.877 33.535 1.00 28.34 N ATOM 468 CA GLY A 351 45.922 70.435 34.421 1.00 23.44 C ATOM 469 C GLY A 351 45.442 69.599 35.593 1.00 35.91 C ATOM 470 O GLY A 351 46.165 69.427 36.568 1.00 44.14 O ATOM 471 H GLY A 351 44.707 70.358 32.646 1.00 0.00 H ATOM 472 N GLU A 352 44.225 69.072 35.509 1.00 23.63 N ATOM 473 CA GLU A 352 43.655 68.389 36.660 1.00 14.44 C ATOM 474 C GLU A 352 43.153 66.963 36.411 1.00 13.17 C ATOM 475 O GLU A 352 42.552 66.366 37.295 1.00 16.48 O ATOM 476 CB GLU A 352 42.520 69.202 37.211 1.00 15.36 C ATOM 477 CG GLU A 352 42.915 70.614 37.647 1.00 19.28 C ATOM 478 CD GLU A 352 41.788 71.595 37.437 1.00 38.78 C ATOM 479 OE1 GLU A 352 42.076 72.758 37.071 1.00 40.52 O ATOM 480 OE2 GLU A 352 40.615 71.201 37.641 1.00 28.14 O ATOM 481 H GLU A 352 43.683 69.147 34.625 1.00 0.00 H ATOM 482 N LEU A 353 43.359 66.458 35.205 1.00 13.42 N ATOM 483 CA LEU A 353 43.082 65.065 34.861 1.00 11.97 C ATOM 484 C LEU A 353 44.394 64.363 34.683 1.00 15.79 C ATOM 485 O LEU A 353 45.386 65.000 34.315 1.00 16.73 O ATOM 486 CB LEU A 353 42.234 64.978 33.574 1.00 10.86 C ATOM 487 CG LEU A 353 40.821 65.528 33.651 1.00 17.73 C ATOM 488 CD1 LEU A 353 40.151 65.502 32.283 1.00 23.48 C ATOM 489 CD2 LEU A 353 40.007 64.724 34.639 1.00 15.75 C ATOM 490 H LEU A 353 43.737 67.084 34.465 1.00 0.00 H ATOM 491 N ARG A 354 44.397 63.055 34.913 1.00 11.25 N ATOM 492 CA ARG A 354 45.587 62.247 34.754 1.00 11.71 C ATOM 493 C ARG A 354 45.273 60.908 34.092 1.00 11.05 C ATOM 494 O ARG A 354 44.177 60.362 34.212 1.00 10.42 O ATOM 495 CB ARG A 354 46.231 61.982 36.136 1.00 16.53 C ATOM 496 CG ARG A 354 45.258 61.437 37.138 1.00 35.55 C ATOM 497 CD ARG A 354 45.897 61.110 38.476 1.00 47.64 C ATOM 498 NE ARG A 354 46.459 62.271 39.154 1.00 51.34 N ATOM 499 CZ ARG A 354 47.746 62.617 39.143 1.00 62.18 C ATOM 500 NH1 ARG A 354 48.649 61.904 38.470 1.00 61.86 N ATOM 501 NH2 ARG A 354 48.132 63.696 39.816 1.00 42.84 N ATOM 502 HE ARG A 354 45.804 62.877 39.688 1.00 0.00 H ATOM 503 HH12 ARG A 354 49.648 62.192 38.475 1.00 0.00 H ATOM 504 HH11 ARG A 354 48.354 61.059 37.940 1.00 0.00 H ATOM 505 HH22 ARG A 354 49.133 63.978 39.816 1.00 0.00 H ATOM 506 HH21 ARG A 354 47.433 64.258 40.342 1.00 0.00 H ATOM 507 H ARG A 354 43.515 62.596 35.218 1.00 0.00 H ATOM 508 N LYS A 355 46.263 60.326 33.442 1.00 11.52 N ATOM 509 CA LYS A 355 46.123 58.938 33.003 1.00 11.32 C ATOM 510 C LYS A 355 45.810 58.070 34.217 1.00 11.16 C ATOM 511 O LYS A 355 46.484 58.179 35.255 1.00 11.70 O ATOM 512 CB LYS A 355 47.405 58.471 32.331 1.00 16.35 C ATOM 513 CG LYS A 355 47.441 57.058 31.897 1.00 17.15 C ATOM 514 CD LYS A 355 48.870 56.785 31.427 1.00 36.14 C ATOM 515 CE LYS A 355 49.079 55.399 30.898 1.00 52.32 C ATOM 516 NZ LYS A 355 50.545 55.072 30.777 1.00 44.81 N ATOM 517 HZ1 LYS A 355 50.997 55.746 30.126 1.00 0.00 H ATOM 518 HZ2 LYS A 355 50.992 55.139 31.713 1.00 0.00 H ATOM 519 HZ3 LYS A 355 50.654 54.106 30.408 1.00 0.00 H ATOM 520 H LYS A 355 47.138 60.852 33.243 1.00 0.00 H ATOM 521 N GLY A 356 44.833 57.188 34.077 1.00 10.66 N ATOM 522 CA GLY A 356 44.417 56.328 35.176 1.00 10.66 C ATOM 523 C GLY A 356 43.202 56.835 35.941 1.00 10.25 C ATOM 524 O GLY A 356 42.661 56.099 36.763 1.00 10.36 O ATOM 525 H GLY A 356 44.350 57.107 33.159 1.00 0.00 H ATOM 526 N ASP A 357 42.746 58.044 35.629 1.00 10.07 N ATOM 527 CA ASP A 357 41.469 58.542 36.153 1.00 9.87 C ATOM 528 C ASP A 357 40.341 57.750 35.560 1.00 9.62 C ATOM 529 O ASP A 357 40.307 57.515 34.346 1.00 11.37 O ATOM 530 CB ASP A 357 41.246 60.035 35.846 1.00 9.84 C ATOM 531 CG ASP A 357 41.970 60.964 36.827 1.00 17.20 C ATOM 532 OD1 ASP A 357 42.286 60.547 37.966 1.00 13.27 O ATOM 533 OD2 ASP A 357 42.257 62.129 36.451 1.00 13.47 O ATOM 534 H ASP A 357 43.308 58.651 34.999 1.00 0.00 H ATOM 535 N GLN A 358 39.379 57.374 36.389 1.00 9.91 N ATOM 536 CA GLN A 358 38.068 56.918 35.913 1.00 9.75 C ATOM 537 C GLN A 358 37.158 58.132 35.767 1.00 9.78 C ATOM 538 O GLN A 358 37.083 58.973 36.660 1.00 10.01 O ATOM 539 CB GLN A 358 37.436 55.907 36.867 1.00 10.27 C ATOM 540 CG GLN A 358 36.162 55.322 36.319 1.00 11.57 C ATOM 541 CD GLN A 358 35.480 54.330 37.247 1.00 12.16 C ATOM 542 OE1 GLN A 358 36.014 53.965 38.295 1.00 15.25 O ATOM 543 NE2 GLN A 358 34.311 53.854 36.837 1.00 13.39 N ATOM 544 HE22 GLN A 358 33.897 54.191 35.945 1.00 0.00 H ATOM 545 HE21 GLN A 358 33.809 53.144 37.408 1.00 0.00 H ATOM 546 H GLN A 358 39.559 57.403 37.413 1.00 0.00 H ATOM 547 N ILE A 359 36.445 58.209 34.648 1.00 9.76 N ATOM 548 CA ILE A 359 35.471 59.265 34.450 1.00 10.01 C ATOM 549 C ILE A 359 34.164 58.797 35.079 1.00 10.96 C ATOM 550 O ILE A 359 33.557 57.852 34.588 1.00 11.03 O ATOM 551 CB ILE A 359 35.271 59.604 32.951 1.00 9.97 C ATOM 552 CG1 ILE A 359 36.590 59.974 32.266 1.00 9.55 C ATOM 553 CG2 ILE A 359 34.258 60.742 32.802 1.00 13.82 C ATOM 554 CD1 ILE A 359 37.318 61.106 32.907 1.00 10.17 C ATOM 555 H ILE A 359 36.588 57.499 33.901 1.00 0.00 H ATOM 556 N LEU A 360 33.735 59.434 36.160 1.00 11.16 N ATOM 557 CA LEU A 360 32.534 58.995 36.849 1.00 12.09 C ATOM 558 C LEU A 360 31.313 59.596 36.227 1.00 12.77 C ATOM 559 O LEU A 360 30.262 58.974 36.226 1.00 13.65 O ATOM 560 CB LEU A 360 32.552 59.370 38.334 1.00 12.67 C ATOM 561 CG LEU A 360 33.754 58.850 39.138 1.00 12.32 C ATOM 562 CD1 LEU A 360 33.600 59.148 40.635 1.00 15.31 C ATOM 563 CD2 LEU A 360 34.002 57.363 38.942 1.00 12.15 C ATOM 564 H LEU A 360 34.263 60.255 36.518 1.00 0.00 H ATOM 565 N SER A 361 31.429 60.839 35.783 1.00 12.63 N ATOM 566 CA SER A 361 30.305 61.518 35.128 1.00 13.43 C ATOM 567 C SER A 361 30.741 62.700 34.267 1.00 13.07 C ATOM 568 O SER A 361 31.823 63.257 34.461 1.00 12.52 O ATOM 569 CB SER A 361 29.287 62.000 36.166 1.00 16.54 C ATOM 570 OG SER A 361 29.854 62.946 37.060 1.00 14.69 O ATOM 571 HG SER A 361 29.168 63.233 37.714 1.00 0.00 H ATOM 572 H SER A 361 32.332 61.342 35.901 1.00 0.00 H ATOM 573 N VAL A 362 29.871 63.079 33.332 1.00 13.72 N ATOM 574 CA VAL A 362 30.090 64.250 32.485 1.00 13.73 C ATOM 575 C VAL A 362 28.797 65.036 32.459 1.00 15.12 C ATOM 576 O VAL A 362 27.742 64.484 32.098 1.00 16.01 O ATOM 577 CB VAL A 362 30.556 63.874 31.046 1.00 14.01 C ATOM 578 CG1 VAL A 362 29.563 63.048 30.320 1.00 20.00 C ATOM 579 CG2 VAL A 362 30.836 65.128 30.258 1.00 17.94 C ATOM 580 H VAL A 362 29.004 62.521 33.200 1.00 0.00 H ATOM 581 N ASN A 363 28.862 66.300 32.878 1.00 15.54 N ATOM 582 CA ASN A 363 27.684 67.166 33.012 1.00 17.11 C ATOM 583 C ASN A 363 26.516 66.449 33.691 1.00 18.71 C ATOM 584 O ASN A 363 25.366 66.587 33.267 1.00 19.60 O ATOM 585 CB ASN A 363 27.266 67.692 31.641 1.00 17.86 C ATOM 586 CG ASN A 363 28.303 68.610 31.034 1.00 20.30 C ATOM 587 OD1 ASN A 363 29.183 69.106 31.712 1.00 19.59 O ATOM 588 ND2 ASN A 363 28.190 68.846 29.743 1.00 20.05 N ATOM 589 HD22 ASN A 363 27.423 68.402 29.198 1.00 0.00 H ATOM 590 HD21 ASN A 363 28.868 69.476 29.268 1.00 0.00 H ATOM 591 H ASN A 363 29.794 66.692 33.122 1.00 0.00 H ATOM 592 N GLY A 364 26.812 65.741 34.774 1.00 17.84 N ATOM 593 CA GLY A 364 25.788 65.073 35.573 1.00 19.08 C ATOM 594 C GLY A 364 25.342 63.710 35.060 1.00 26.53 C ATOM 595 O GLY A 364 24.523 63.028 35.698 1.00 25.09 O ATOM 596 H GLY A 364 27.807 65.659 35.064 1.00 0.00 H ATOM 597 N VAL A 365 25.844 63.326 33.896 1.00 18.69 N ATOM 598 CA VAL A 365 25.511 62.039 33.300 1.00 19.10 C ATOM 599 C VAL A 365 26.482 60.990 33.843 1.00 17.09 C ATOM 600 O VAL A 365 27.691 61.066 33.626 1.00 15.67 O ATOM 601 CB VAL A 365 25.525 62.121 31.769 1.00 20.70 C ATOM 602 CG1 VAL A 365 25.224 60.776 31.172 1.00 39.64 C ATOM 603 CG2 VAL A 365 24.508 63.142 31.297 1.00 33.58 C ATOM 604 H VAL A 365 26.495 63.962 33.393 1.00 0.00 H ATOM 605 N ASP A 366 25.937 60.060 34.613 1.00 17.89 N ATOM 606 CA ASP A 366 26.711 58.975 35.228 1.00 25.80 C ATOM 607 C ASP A 366 27.339 58.074 34.155 1.00 18.48 C ATOM 608 O ASP A 366 26.610 57.516 33.320 1.00 18.22 O ATOM 609 CB ASP A 366 25.777 58.198 36.153 1.00 21.20 C ATOM 610 CG ASP A 366 26.438 57.044 36.891 1.00 19.97 C ATOM 611 OD1 ASP A 366 27.669 56.876 36.876 1.00 16.73 O ATOM 612 OD2 ASP A 366 25.678 56.273 37.533 1.00 29.37 O ATOM 613 H ASP A 366 24.913 60.101 34.790 1.00 0.00 H ATOM 614 N LEU A 367 28.670 57.944 34.166 1.00 14.87 N ATOM 615 CA LEU A 367 29.361 57.103 33.189 1.00 14.29 C ATOM 616 C LEU A 367 30.049 55.922 33.843 1.00 13.97 C ATOM 617 O LEU A 367 30.802 55.231 33.207 1.00 13.52 O ATOM 618 CB LEU A 367 30.382 57.914 32.384 1.00 13.20 C ATOM 619 CG LEU A 367 29.890 59.105 31.562 1.00 14.12 C ATOM 620 CD1 LEU A 367 31.051 59.748 30.837 1.00 17.20 C ATOM 621 CD2 LEU A 367 28.812 58.661 30.560 1.00 18.14 C ATOM 622 H LEU A 367 29.225 58.451 34.884 1.00 0.00 H ATOM 623 N ARG A 368 29.780 55.668 35.118 1.00 14.47 N ATOM 624 CA ARG A 368 30.448 54.569 35.805 1.00 18.07 C ATOM 625 C ARG A 368 30.202 53.236 35.128 1.00 18.95 C ATOM 626 O ARG A 368 31.070 52.378 35.160 1.00 17.57 O ATOM 627 CB ARG A 368 29.996 54.481 37.269 1.00 15.14 C ATOM 628 CG ARG A 368 30.488 55.653 38.102 1.00 14.84 C ATOM 629 CD ARG A 368 29.906 55.663 39.521 1.00 18.85 C ATOM 630 NE ARG A 368 28.458 55.546 39.437 1.00 18.68 N ATOM 631 CZ ARG A 368 27.685 54.829 40.237 1.00 18.74 C ATOM 632 NH1 ARG A 368 28.163 54.185 41.291 1.00 19.55 N ATOM 633 NH2 ARG A 368 26.396 54.790 39.984 1.00 20.35 N ATOM 634 HE ARG A 368 27.986 56.076 38.677 1.00 0.00 H ATOM 635 HH12 ARG A 368 27.524 53.632 41.896 1.00 0.00 H ATOM 636 HH11 ARG A 368 29.178 54.233 41.513 1.00 0.00 H ATOM 637 HH22 ARG A 368 25.763 54.235 40.595 1.00 0.00 H ATOM 638 HH21 ARG A 368 26.009 55.314 39.173 1.00 0.00 H ATOM 639 H ARG A 368 29.090 56.255 35.629 1.00 0.00 H ATOM 640 N ASN A 369 29.038 53.065 34.504 1.00 16.12 N ATOM 641 CA ASN A 369 28.702 51.789 33.856 1.00 17.15 C ATOM 642 C ASN A 369 28.458 51.961 32.354 1.00 17.41 C ATOM 643 O ASN A 369 27.720 51.203 31.741 1.00 18.82 O ATOM 644 CB ASN A 369 27.487 51.170 34.540 1.00 18.92 C ATOM 645 CG ASN A 369 27.787 50.850 35.991 1.00 33.33 C ATOM 646 OD1 ASN A 369 28.528 49.911 36.274 1.00 28.79 O ATOM 647 ND2 ASN A 369 27.282 51.664 36.906 1.00 31.50 N ATOM 648 HD22 ASN A 369 26.659 52.446 36.619 1.00 0.00 H ATOM 649 HD21 ASN A 369 27.509 51.521 37.911 1.00 0.00 H ATOM 650 H ASN A 369 28.354 53.848 34.475 1.00 0.00 H ATOM 651 N ALA A 370 29.118 52.951 31.778 1.00 16.23 N ATOM 652 CA ALA A 370 28.969 53.262 30.366 1.00 17.91 C ATOM 653 C ALA A 370 29.751 52.299 29.476 1.00 17.47 C ATOM 654 O ALA A 370 30.795 51.768 29.882 1.00 16.05 O ATOM 655 CB ALA A 370 29.433 54.692 30.107 1.00 15.42 C ATOM 656 H ALA A 370 29.765 53.526 32.354 1.00 0.00 H ATOM 657 N SER A 371 29.254 52.106 28.262 1.00 17.68 N ATOM 658 CA SER A 371 30.057 51.526 27.221 1.00 17.82 C ATOM 659 C SER A 371 31.001 52.610 26.701 1.00 20.27 C ATOM 660 O SER A 371 30.704 53.809 26.790 1.00 16.07 O ATOM 661 CB SER A 371 29.187 50.972 26.103 1.00 26.87 C ATOM 662 OG SER A 371 28.480 52.021 25.491 1.00 27.72 O ATOM 663 HG SER A 371 27.915 51.657 24.764 1.00 0.00 H ATOM 664 H SER A 371 28.271 52.378 28.061 1.00 0.00 H ATOM 665 N ALA A 372 32.143 52.188 26.187 1.00 17.57 N ATOM 666 CA ALA A 372 33.151 53.112 25.677 1.00 18.45 C ATOM 667 C ALA A 372 32.598 54.000 24.574 1.00 15.96 C ATOM 668 O ALA A 372 32.830 55.223 24.565 1.00 15.21 O ATOM 669 CB ALA A 372 34.350 52.335 25.167 1.00 15.47 C ATOM 670 H ALA A 372 32.329 51.166 26.145 1.00 0.00 H ATOM 671 N GLU A 373 31.872 53.410 23.627 1.00 17.84 N ATOM 672 CA GLU A 373 31.387 54.195 22.499 1.00 24.31 C ATOM 673 C GLU A 373 30.372 55.221 22.955 1.00 19.82 C ATOM 674 O GLU A 373 30.431 56.366 22.530 1.00 19.79 O ATOM 675 CB GLU A 373 30.782 53.335 21.400 1.00 29.45 C ATOM 676 CG GLU A 373 30.165 54.179 20.291 1.00 39.69 C ATOM 677 CD GLU A 373 29.972 53.403 18.993 1.00 47.92 C ATOM 678 OE1 GLU A 373 30.712 52.412 18.785 1.00 47.39 O ATOM 679 OE2 GLU A 373 29.096 53.794 18.186 1.00 63.45 O ATOM 680 H GLU A 373 31.652 52.396 23.692 1.00 0.00 H ATOM 681 N GLN A 374 29.467 54.833 23.847 1.00 19.41 N ATOM 682 CA GLN A 374 28.455 55.739 24.320 1.00 18.83 C ATOM 683 C GLN A 374 29.065 56.827 25.226 1.00 17.24 C ATOM 684 O GLN A 374 28.608 57.965 25.255 1.00 17.22 O ATOM 685 CB GLN A 374 27.374 54.928 25.022 1.00 40.40 C ATOM 686 CG GLN A 374 26.010 55.531 25.026 1.00 39.11 C ATOM 687 CD GLN A 374 25.432 55.885 23.642 1.00 22.87 C ATOM 688 OE1 GLN A 374 25.383 55.081 22.681 1.00 24.14 O ATOM 689 NE2 GLN A 374 24.968 57.109 23.549 1.00 23.03 N ATOM 690 HE22 GLN A 374 25.025 57.750 24.366 1.00 0.00 H ATOM 691 HE21 GLN A 374 24.544 57.438 22.658 1.00 0.00 H ATOM 692 H GLN A 374 29.491 53.858 24.209 1.00 0.00 H ATOM 693 N ALA A 375 30.118 56.489 25.957 1.00 15.84 N ATOM 694 CA ALA A 375 30.824 57.486 26.738 1.00 14.49 C ATOM 695 C ALA A 375 31.472 58.543 25.819 1.00 14.62 C ATOM 696 O ALA A 375 31.488 59.744 26.134 1.00 13.82 O ATOM 697 CB ALA A 375 31.894 56.835 27.586 1.00 13.45 C ATOM 698 H ALA A 375 30.440 55.500 25.970 1.00 0.00 H ATOM 699 N ALA A 376 32.061 58.076 24.728 1.00 14.58 N ATOM 700 CA ALA A 376 32.685 58.964 23.773 1.00 14.63 C ATOM 701 C ALA A 376 31.630 59.920 23.227 1.00 15.57 C ATOM 702 O ALA A 376 31.848 61.122 23.083 1.00 15.38 O ATOM 703 CB ALA A 376 33.330 58.185 22.681 1.00 15.29 C ATOM 704 H ALA A 376 32.075 57.051 24.555 1.00 0.00 H ATOM 705 N ILE A 377 30.464 59.373 22.910 1.00 16.81 N ATOM 706 CA ILE A 377 29.383 60.191 22.389 1.00 18.02 C ATOM 707 C ILE A 377 29.030 61.285 23.372 1.00 17.45 C ATOM 708 O ILE A 377 28.845 62.438 22.990 1.00 17.86 O ATOM 709 CB ILE A 377 28.151 59.324 22.061 1.00 19.69 C ATOM 710 CG1 ILE A 377 28.489 58.432 20.867 1.00 21.46 C ATOM 711 CG2 ILE A 377 26.893 60.226 21.757 1.00 21.78 C ATOM 712 CD1 ILE A 377 27.476 57.351 20.572 1.00 34.19 C ATOM 713 H ILE A 377 30.323 58.350 23.036 1.00 0.00 H ATOM 714 N ALA A 378 28.898 60.897 24.632 1.00 16.76 N ATOM 715 CA ALA A 378 28.519 61.818 25.695 1.00 16.74 C ATOM 716 C ALA A 378 29.522 62.934 25.850 1.00 15.47 C ATOM 717 O ALA A 378 29.154 64.090 25.999 1.00 15.86 O ATOM 718 CB ALA A 378 28.394 61.092 26.993 1.00 19.59 C ATOM 719 H ALA A 378 29.071 59.900 24.870 1.00 0.00 H ATOM 720 N LEU A 379 30.801 62.562 25.813 1.00 14.40 N ATOM 721 CA LEU A 379 31.863 63.551 25.935 1.00 13.67 C ATOM 722 C LEU A 379 31.911 64.476 24.728 1.00 14.43 C ATOM 723 O LEU A 379 32.035 65.692 24.866 1.00 14.54 O ATOM 724 CB LEU A 379 33.207 62.840 26.137 1.00 12.67 C ATOM 725 CG LEU A 379 33.349 62.205 27.527 1.00 11.93 C ATOM 726 CD1 LEU A 379 34.386 61.084 27.594 1.00 11.35 C ATOM 727 CD2 LEU A 379 33.728 63.287 28.507 1.00 12.54 C ATOM 728 H LEU A 379 31.043 61.557 25.696 1.00 0.00 H ATOM 729 N LYS A 380 31.787 63.905 23.536 1.00 15.17 N ATOM 730 CA LYS A 380 31.900 64.717 22.333 1.00 18.14 C ATOM 731 C LYS A 380 30.738 65.710 22.219 1.00 21.88 C ATOM 732 O LYS A 380 30.876 66.777 21.613 1.00 18.87 O ATOM 733 CB LYS A 380 31.972 63.813 21.094 1.00 18.08 C ATOM 734 CG LYS A 380 33.295 63.131 20.911 1.00 23.44 C ATOM 735 CD LYS A 380 33.257 62.254 19.696 1.00 27.98 C ATOM 736 CE LYS A 380 34.611 61.887 19.225 1.00 42.15 C ATOM 737 NZ LYS A 380 34.511 61.161 17.942 1.00 46.24 N ATOM 738 HZ1 LYS A 380 33.946 60.298 18.076 1.00 0.00 H ATOM 739 HZ2 LYS A 380 34.052 61.770 17.235 1.00 0.00 H ATOM 740 HZ3 LYS A 380 35.464 60.905 17.615 1.00 0.00 H ATOM 741 H LYS A 380 31.610 62.883 23.462 1.00 0.00 H ATOM 742 N ASN A 381 29.593 65.359 22.800 1.00 17.59 N ATOM 743 CA ASN A 381 28.384 66.175 22.712 1.00 18.94 C ATOM 744 C ASN A 381 28.070 66.969 23.997 1.00 18.64 C ATOM 745 O ASN A 381 26.954 67.468 24.185 1.00 19.86 O ATOM 746 CB ASN A 381 27.201 65.279 22.355 1.00 27.98 C ATOM 747 CG ASN A 381 27.218 64.852 20.900 1.00 38.40 C ATOM 748 OD1 ASN A 381 26.775 65.597 20.022 1.00 57.94 O ATOM 749 ND2 ASN A 381 27.744 63.658 20.632 1.00 45.17 N ATOM 750 HD22 ASN A 381 28.105 63.064 21.405 1.00 0.00 H ATOM 751 HD21 ASN A 381 27.793 63.320 19.650 1.00 0.00 H ATOM 752 H ASN A 381 29.557 64.469 23.337 1.00 0.00 H ATOM 753 N ALA A 382 29.072 67.135 24.852 1.00 17.27 N ATOM 754 CA ALA A 382 28.876 67.713 26.165 1.00 17.05 C ATOM 755 C ALA A 382 28.796 69.240 26.178 1.00 24.87 C ATOM 756 O ALA A 382 28.491 69.836 27.214 1.00 32.96 O ATOM 757 CB ALA A 382 29.999 67.248 27.092 1.00 17.89 C ATOM 758 H ALA A 382 30.029 66.840 24.570 1.00 0.00 H ATOM 759 N GLY A 383 29.059 69.879 25.047 1.00 22.88 N ATOM 760 CA GLY A 383 28.984 71.324 24.978 1.00 24.11 C ATOM 761 C GLY A 383 30.336 71.940 25.219 1.00 19.83 C ATOM 762 O GLY A 383 31.336 71.230 25.366 1.00 19.29 O ATOM 763 H GLY A 383 29.322 69.337 24.199 1.00 0.00 H ATOM 764 N GLN A 384 30.368 73.263 25.281 1.00 19.49 N ATOM 765 CA GLN A 384 31.626 73.995 25.290 1.00 20.70 C ATOM 766 C GLN A 384 32.258 73.930 26.669 1.00 20.71 C ATOM 767 O GLN A 384 33.471 73.982 26.815 1.00 19.25 O ATOM 768 CB GLN A 384 31.385 75.446 24.869 1.00 20.86 C ATOM 769 CG GLN A 384 30.684 75.539 23.508 1.00 31.84 C ATOM 770 CD GLN A 384 30.056 76.900 23.235 1.00 36.42 C ATOM 771 OE1 GLN A 384 30.677 77.763 22.614 1.00 40.49 O ATOM 772 NE2 GLN A 384 28.806 77.094 23.693 1.00 32.77 N ATOM 773 HE22 GLN A 384 28.319 76.336 24.213 1.00 0.00 H ATOM 774 HE21 GLN A 384 28.326 78.002 23.527 1.00 0.00 H ATOM 775 H GLN A 384 29.473 73.791 25.324 1.00 0.00 H ATOM 776 N THR A 385 31.410 73.853 27.683 1.00 18.74 N ATOM 777 CA THR A 385 31.883 73.759 29.050 1.00 18.17 C ATOM 778 C THR A 385 31.587 72.364 29.575 1.00 17.14 C ATOM 779 O THR A 385 30.444 71.947 29.635 1.00 20.46 O ATOM 780 CB THR A 385 31.224 74.807 29.939 1.00 32.80 C ATOM 781 OG1 THR A 385 31.468 76.109 29.392 1.00 32.53 O ATOM 782 CG2 THR A 385 31.773 74.728 31.346 1.00 26.09 C ATOM 783 HG1 THR A 385 31.041 76.793 29.967 1.00 0.00 H ATOM 784 H THR A 385 30.387 73.860 27.495 1.00 0.00 H ATOM 785 N VAL A 386 32.637 71.624 29.930 1.00 15.73 N ATOM 786 CA VAL A 386 32.486 70.207 30.263 1.00 14.79 C ATOM 787 C VAL A 386 32.851 69.983 31.740 1.00 17.10 C ATOM 788 O VAL A 386 33.978 70.252 32.161 1.00 16.95 O ATOM 789 CB VAL A 386 33.336 69.360 29.322 1.00 14.49 C ATOM 790 CG1 VAL A 386 33.120 67.883 29.572 1.00 24.06 C ATOM 791 CG2 VAL A 386 32.987 69.740 27.882 1.00 15.33 C ATOM 792 H VAL A 386 33.580 72.061 29.971 1.00 0.00 H ATOM 793 N THR A 387 31.888 69.506 32.526 1.00 14.79 N ATOM 794 CA THR A 387 32.107 69.284 33.953 1.00 14.78 C ATOM 795 C THR A 387 32.253 67.777 34.174 1.00 13.83 C ATOM 796 O THR A 387 31.292 67.022 34.031 1.00 16.18 O ATOM 797 CB THR A 387 30.949 69.876 34.789 1.00 16.19 C ATOM 798 OG1 THR A 387 30.900 71.288 34.571 1.00 18.40 O ATOM 799 CG2 THR A 387 31.147 69.615 36.248 1.00 20.32 C ATOM 800 HG1 THR A 387 30.747 71.467 33.610 1.00 0.00 H ATOM 801 H THR A 387 30.958 69.286 32.114 1.00 0.00 H ATOM 802 N ILE A 388 33.474 67.366 34.493 1.00 12.85 N ATOM 803 CA ILE A 388 33.807 65.971 34.724 1.00 12.33 C ATOM 804 C ILE A 388 33.991 65.725 36.211 1.00 13.06 C ATOM 805 O ILE A 388 34.665 66.491 36.872 1.00 12.14 O ATOM 806 CB ILE A 388 35.084 65.619 33.946 1.00 11.91 C ATOM 807 CG1 ILE A 388 34.739 65.572 32.453 1.00 12.40 C ATOM 808 CG2 ILE A 388 35.664 64.300 34.377 1.00 12.41 C ATOM 809 CD1 ILE A 388 35.958 65.586 31.544 1.00 18.44 C ATOM 810 H ILE A 388 34.228 68.076 34.582 1.00 0.00 H ATOM 811 N ILE A 389 33.399 64.660 36.727 1.00 12.25 N ATOM 812 CA ILE A 389 33.813 64.101 38.018 1.00 12.18 C ATOM 813 C ILE A 389 34.725 62.922 37.721 1.00 11.70 C ATOM 814 O ILE A 389 34.333 62.026 37.016 1.00 11.78 O ATOM 815 CB ILE A 389 32.634 63.646 38.881 1.00 12.92 C ATOM 816 CG1 ILE A 389 31.617 64.767 39.029 1.00 18.12 C ATOM 817 CG2 ILE A 389 33.143 63.114 40.234 1.00 13.10 C ATOM 818 CD1 ILE A 389 32.133 65.992 39.552 1.00 21.38 C ATOM 819 H ILE A 389 32.621 64.209 36.204 1.00 0.00 H ATOM 820 N ALA A 390 35.943 62.958 38.263 1.00 11.40 N ATOM 821 CA ALA A 390 36.956 61.938 37.988 1.00 11.04 C ATOM 822 C ALA A 390 37.503 61.394 39.294 1.00 11.28 C ATOM 823 O ALA A 390 37.483 62.076 40.312 1.00 11.67 O ATOM 824 CB ALA A 390 38.075 62.529 37.168 1.00 11.88 C ATOM 825 H ALA A 390 36.182 63.740 38.905 1.00 0.00 H ATOM 826 N GLN A 391 37.999 60.160 39.246 1.00 11.22 N ATOM 827 CA GLN A 391 38.519 59.501 40.451 1.00 11.66 C ATOM 828 C GLN A 391 39.669 58.620 40.020 1.00 11.44 C ATOM 829 O GLN A 391 39.553 57.839 39.070 1.00 11.23 O ATOM 830 CB GLN A 391 37.443 58.692 41.176 1.00 12.38 C ATOM 831 CG GLN A 391 37.907 58.119 42.474 1.00 13.12 C ATOM 832 CD GLN A 391 36.771 57.534 43.298 1.00 20.25 C ATOM 833 OE1 GLN A 391 35.751 57.096 42.756 1.00 14.84 O ATOM 834 NE2 GLN A 391 36.928 57.543 44.614 1.00 20.71 N ATOM 835 HE22 GLN A 391 37.803 57.921 45.031 1.00 0.00 H ATOM 836 HE21 GLN A 391 36.176 57.172 45.230 1.00 0.00 H ATOM 837 H GLN A 391 38.019 59.653 38.338 1.00 0.00 H ATOM 838 N TYR A 392 40.804 58.770 40.690 1.00 11.67 N ATOM 839 CA TYR A 392 42.035 58.086 40.257 1.00 11.59 C ATOM 840 C TYR A 392 42.004 56.585 40.643 1.00 12.02 C ATOM 841 O TYR A 392 41.896 56.254 41.833 1.00 12.75 O ATOM 842 CB TYR A 392 43.225 58.791 40.890 1.00 12.01 C ATOM 843 CG TYR A 392 44.547 58.266 40.442 1.00 12.12 C ATOM 844 CD1 TYR A 392 44.852 58.168 39.086 1.00 11.63 C ATOM 845 CD2 TYR A 392 45.510 57.892 41.376 1.00 12.94 C ATOM 846 CE1 TYR A 392 46.075 57.729 38.673 1.00 14.76 C ATOM 847 CE2 TYR A 392 46.735 57.414 40.962 1.00 13.22 C ATOM 848 CZ TYR A 392 47.009 57.351 39.621 1.00 14.49 C ATOM 849 OH TYR A 392 48.220 56.869 39.206 1.00 14.97 O ATOM 850 HH TYR A 392 48.329 55.938 39.523 1.00 0.00 H ATOM 851 H TYR A 392 40.825 59.379 41.533 1.00 0.00 H ATOM 852 N LYS A 393 42.074 55.700 39.640 1.00 11.79 N ATOM 853 CA LYS A 393 41.912 54.263 39.848 1.00 12.35 C ATOM 854 C LYS A 393 43.003 53.536 39.103 1.00 12.32 C ATOM 855 O LYS A 393 42.756 52.873 38.097 1.00 12.26 O ATOM 856 CB LYS A 393 40.537 53.803 39.374 1.00 12.50 C ATOM 857 CG LYS A 393 39.392 54.303 40.252 1.00 13.53 C ATOM 858 CD LYS A 393 39.159 53.427 41.416 1.00 29.58 C ATOM 859 CE LYS A 393 37.911 53.851 42.178 1.00 39.44 C ATOM 860 NZ LYS A 393 37.379 52.724 42.976 1.00 49.70 N ATOM 861 HZ1 LYS A 393 37.136 51.936 42.342 1.00 0.00 H ATOM 862 HZ2 LYS A 393 38.100 52.412 43.657 1.00 0.00 H ATOM 863 HZ3 LYS A 393 36.528 53.034 43.488 1.00 0.00 H ATOM 864 H LYS A 393 42.250 56.049 38.676 1.00 0.00 H ATOM 865 N PRO A 394 44.245 53.705 39.548 1.00 12.52 N ATOM 866 CA PRO A 394 45.345 53.191 38.737 1.00 12.56 C ATOM 867 C PRO A 394 45.410 51.672 38.658 1.00 13.15 C ATOM 868 O PRO A 394 45.874 51.146 37.622 1.00 13.22 O ATOM 869 CB PRO A 394 46.596 53.776 39.439 1.00 12.97 C ATOM 870 CG PRO A 394 46.142 54.051 40.827 1.00 13.43 C ATOM 871 CD PRO A 394 44.720 54.525 40.682 1.00 12.87 C ATOM 872 N GLU A 395 44.986 50.975 39.723 1.00 13.88 N ATOM 873 CA GLU A 395 44.988 49.516 39.714 1.00 15.18 C ATOM 874 C GLU A 395 44.067 48.996 38.617 1.00 20.64 C ATOM 875 O GLU A 395 44.460 48.138 37.837 1.00 15.81 O ATOM 876 CB GLU A 395 44.565 48.948 41.076 1.00 16.26 C ATOM 877 CG GLU A 395 45.573 49.201 42.156 1.00 22.54 C ATOM 878 CD GLU A 395 45.515 50.609 42.702 1.00 33.39 C ATOM 879 OE1 GLU A 395 44.518 51.327 42.471 1.00 21.44 O ATOM 880 OE2 GLU A 395 46.477 51.017 43.371 1.00 20.84 O ATOM 881 H GLU A 395 44.651 51.482 40.567 1.00 0.00 H ATOM 882 N GLU A 396 42.868 49.562 38.504 1.00 16.92 N ATOM 883 CA GLU A 396 41.919 49.115 37.498 1.00 17.17 C ATOM 884 C GLU A 396 42.415 49.505 36.115 1.00 15.89 C ATOM 885 O GLU A 396 42.297 48.743 35.144 1.00 17.01 O ATOM 886 CB GLU A 396 40.531 49.730 37.724 1.00 21.71 C ATOM 887 CG GLU A 396 39.745 49.183 38.894 1.00 28.31 C ATOM 888 CD GLU A 396 40.129 49.808 40.216 1.00 38.94 C ATOM 889 OE1 GLU A 396 41.102 50.608 40.267 1.00 23.96 O ATOM 890 OE2 GLU A 396 39.455 49.501 41.222 1.00 59.76 O ATOM 891 H GLU A 396 42.606 50.337 39.146 1.00 0.00 H ATOM 892 N TYR A 397 42.990 50.695 36.006 1.00 15.83 N ATOM 893 CA TYR A 397 43.503 51.119 34.709 1.00 17.54 C ATOM 894 C TYR A 397 44.630 50.205 34.212 1.00 15.93 C ATOM 895 O TYR A 397 44.685 49.886 33.020 1.00 14.88 O ATOM 896 CB TYR A 397 43.998 52.572 34.743 1.00 13.87 C ATOM 897 CG TYR A 397 44.692 52.884 33.463 1.00 12.02 C ATOM 898 CD1 TYR A 397 43.976 53.219 32.331 1.00 12.61 C ATOM 899 CD2 TYR A 397 46.075 52.771 33.365 1.00 12.43 C ATOM 900 CE1 TYR A 397 44.600 53.441 31.122 1.00 13.54 C ATOM 901 CE2 TYR A 397 46.711 52.987 32.170 1.00 14.99 C ATOM 902 CZ TYR A 397 45.973 53.325 31.054 1.00 16.11 C ATOM 903 OH TYR A 397 46.605 53.533 29.869 1.00 17.62 O ATOM 904 HH TYR A 397 47.085 52.709 29.603 1.00 0.00 H ATOM 905 H TYR A 397 43.074 51.318 36.835 1.00 0.00 H ATOM 906 N SER A 398 45.504 49.777 35.109 1.00 16.06 N ATOM 907 CA SER A 398 46.735 49.084 34.732 1.00 20.01 C ATOM 908 C SER A 398 46.461 47.757 34.013 1.00 24.23 C ATOM 909 O SER A 398 47.326 47.249 33.310 1.00 35.04 O ATOM 910 CB SER A 398 47.619 48.820 35.960 1.00 19.08 C ATOM 911 OG SER A 398 46.982 47.900 36.818 1.00 29.88 O ATOM 912 HG SER A 398 46.114 48.273 37.113 1.00 0.00 H ATOM 913 H SER A 398 45.308 49.939 36.117 1.00 0.00 H ATOM 914 N ARG A 399 45.261 47.206 34.158 1.00 20.70 N ATOM 915 CA ARG A 399 44.960 45.937 33.504 1.00 26.10 C ATOM 916 C ARG A 399 44.754 46.126 32.001 1.00 20.77 C ATOM 917 O ARG A 399 44.761 45.161 31.253 1.00 20.11 O ATOM 918 CB ARG A 399 43.727 45.285 34.120 1.00 29.07 C ATOM 919 CG ARG A 399 42.426 45.889 33.664 1.00 18.65 C ATOM 920 H ARG A 399 44.537 47.678 34.737 1.00 0.00 H ATOM 921 N PHE A 400 44.563 47.370 31.564 1.00 15.26 N ATOM 922 CA PHE A 400 44.434 47.665 30.123 1.00 15.49 C ATOM 923 C PHE A 400 45.775 47.772 29.396 1.00 15.65 C ATOM 924 O PHE A 400 45.887 47.453 28.194 1.00 16.43 O ATOM 925 CB PHE A 400 43.677 48.994 29.924 1.00 14.85 C ATOM 926 CG PHE A 400 42.190 48.919 30.209 1.00 20.44 C ATOM 927 CD1 PHE A 400 41.311 48.467 29.242 1.00 30.74 C ATOM 928 CD2 PHE A 400 41.673 49.371 31.414 1.00 21.42 C ATOM 929 CE1 PHE A 400 39.947 48.414 29.479 1.00 42.77 C ATOM 930 CE2 PHE A 400 40.304 49.323 31.659 1.00 28.26 C ATOM 931 CZ PHE A 400 39.444 48.848 30.687 1.00 40.38 C ATOM 932 H PHE A 400 44.504 48.148 32.251 1.00 0.00 H ATOM 933 N GLU A 401 46.778 48.323 30.066 1.00 15.34 N ATOM 934 CA GLU A 401 48.023 48.677 29.390 1.00 15.60 C ATOM 935 C GLU A 401 49.104 47.628 29.665 1.00 16.37 C ATOM 936 O GLU A 401 49.375 47.286 30.826 1.00 17.78 O ATOM 937 CB GLU A 401 48.520 50.074 29.839 1.00 14.87 C ATOM 938 CG GLU A 401 49.683 50.545 29.027 1.00 15.43 C ATOM 939 CD GLU A 401 50.005 52.050 29.157 1.00 15.94 C ATOM 940 OE1 GLU A 401 49.273 52.786 29.852 1.00 19.29 O ATOM 941 OE2 GLU A 401 51.023 52.488 28.562 1.00 18.50 O ATOM 942 H GLU A 401 46.677 48.505 31.085 1.00 0.00 H ATOM 943 N ALA A 402 49.736 47.145 28.614 1.00 17.05 N ATOM 944 CA ALA A 402 50.758 46.103 28.702 1.00 18.00 C ATOM 945 C ALA A 402 51.938 46.489 29.610 1.00 17.90 C ATOM 946 O ALA A 402 52.433 47.622 29.554 1.00 18.97 O ATOM 947 CB ALA A 402 51.255 45.782 27.324 1.00 26.08 C ATOM 948 H ALA A 402 49.496 47.524 27.676 1.00 0.00 H ATOM 949 N ASN A 403 52.367 45.510 30.408 1.00 20.03 N ATOM 950 CA ASN A 403 53.503 45.595 31.311 1.00 19.45 C ATOM 951 C ASN A 403 53.400 46.801 32.274 1.00 24.19 C ATOM 952 O ASN A 403 54.419 47.414 32.618 1.00 24.88 O ATOM 953 CB ASN A 403 54.819 45.656 30.541 1.00 20.96 C ATOM 954 CG ASN A 403 55.123 44.378 29.739 1.00 23.04 C ATOM 955 OD1 ASN A 403 55.089 43.235 30.262 1.00 28.55 O ATOM 956 ND2 ASN A 403 55.510 44.574 28.487 1.00 37.83 N ATOM 957 HD22 ASN A 403 55.524 45.536 28.092 1.00 0.00 H ATOM 958 HD21 ASN A 403 55.800 43.766 27.900 1.00 0.00 H ATOM 959 H ASN A 403 51.845 44.611 30.382 1.00 0.00 H ATOM 960 N SER A 404 52.183 47.136 32.684 1.00 18.56 N ATOM 961 CA SER A 404 51.959 48.265 33.583 1.00 16.71 C ATOM 962 C SER A 404 51.719 47.742 34.991 1.00 19.85 C ATOM 963 O SER A 404 51.373 46.569 35.183 1.00 16.92 O ATOM 964 CB SER A 404 50.777 49.131 33.128 1.00 15.40 C ATOM 965 OG SER A 404 49.546 48.448 33.279 1.00 15.02 O ATOM 966 HG SER A 404 49.559 47.622 32.733 1.00 0.00 H ATOM 967 H SER A 404 51.367 46.580 32.357 1.00 0.00 H ATOM 968 N ARG A 405 51.936 48.605 35.966 1.00 16.22 N ATOM 969 CA ARG A 405 51.722 48.268 37.357 1.00 16.61 C ATOM 970 C ARG A 405 51.669 49.577 38.119 1.00 16.23 C ATOM 971 O ARG A 405 51.970 50.613 37.569 1.00 15.84 O ATOM 972 CB ARG A 405 52.828 47.360 37.891 1.00 19.21 C ATOM 973 CG ARG A 405 54.187 48.007 37.814 1.00 18.50 C ATOM 974 CD ARG A 405 55.291 47.047 38.220 1.00 19.98 C ATOM 975 NE ARG A 405 56.590 47.602 37.851 1.00 20.79 N ATOM 976 CZ ARG A 405 57.298 48.444 38.600 1.00 21.46 C ATOM 977 NH1 ARG A 405 56.867 48.825 39.784 1.00 21.43 N ATOM 978 NH2 ARG A 405 58.469 48.891 38.150 1.00 25.67 N ATOM 979 HE ARG A 405 56.992 47.318 36.935 1.00 0.00 H ATOM 980 HH12 ARG A 405 57.433 49.484 40.356 1.00 0.00 H ATOM 981 HH11 ARG A 405 55.960 48.467 40.147 1.00 0.00 H ATOM 982 HH22 ARG A 405 59.031 49.549 38.727 1.00 0.00 H ATOM 983 HH21 ARG A 405 58.822 48.582 37.222 1.00 0.00 H ATOM 984 H ARG A 405 52.272 49.560 35.726 1.00 0.00 H ATOM 985 N VAL A 406 51.288 49.504 39.371 1.00 16.56 N ATOM 986 CA VAL A 406 51.171 50.682 40.214 1.00 16.44 C ATOM 987 C VAL A 406 52.257 50.620 41.269 1.00 17.79 C ATOM 988 O VAL A 406 52.405 49.581 41.920 1.00 18.71 O ATOM 989 CB VAL A 406 49.796 50.728 40.860 1.00 16.03 C ATOM 990 CG1 VAL A 406 49.646 51.977 41.694 1.00 16.02 C ATOM 991 CG2 VAL A 406 48.696 50.651 39.800 1.00 40.42 C ATOM 992 H VAL A 406 51.062 48.572 39.774 1.00 0.00 H ATOM 993 N ASP A 407 53.013 51.699 41.465 1.00 19.63 N ATOM 994 CA ASP A 407 54.055 51.669 42.511 1.00 26.12 C ATOM 995 C ASP A 407 53.541 52.169 43.875 1.00 28.67 C ATOM 996 O ASP A 407 52.356 52.342 44.070 1.00 19.48 O ATOM 997 CB ASP A 407 55.298 52.454 42.057 1.00 23.05 C ATOM 998 CG ASP A 407 55.097 53.960 42.043 1.00 27.24 C ATOM 999 OD1 ASP A 407 54.133 54.479 42.642 1.00 30.70 O ATOM 1000 OD2 ASP A 407 55.964 54.638 41.444 1.00 28.14 O ATOM 1001 H ASP A 407 52.871 52.553 40.888 1.00 0.00 H ATOM 1002 N SER A 408 54.433 52.361 44.843 1.00 30.80 N ATOM 1003 CA SER A 408 53.994 52.653 46.209 1.00 31.72 C ATOM 1004 C SER A 408 53.317 54.020 46.394 1.00 40.81 C ATOM 1005 O SER A 408 52.545 54.229 47.339 1.00 36.17 O ATOM 1006 CB SER A 408 55.193 52.540 47.148 1.00 53.65 C ATOM 1007 OG SER A 408 56.312 53.230 46.624 1.00 59.81 O ATOM 1008 HG SER A 408 57.075 53.142 47.249 1.00 0.00 H ATOM 1009 H SER A 408 55.449 52.303 44.628 1.00 0.00 H ATOM 1010 N SER A 409 53.597 54.960 45.495 1.00 31.72 N ATOM 1011 CA SER A 409 52.997 56.289 45.582 1.00 33.70 C ATOM 1012 C SER A 409 51.666 56.310 44.867 1.00 28.54 C ATOM 1013 O SER A 409 50.960 57.317 44.855 1.00 34.71 O ATOM 1014 CB SER A 409 53.919 57.348 44.980 1.00 37.62 C ATOM 1015 OG SER A 409 54.025 57.185 43.576 1.00 39.19 O ATOM 1016 HG SER A 409 54.395 56.289 43.376 1.00 0.00 H ATOM 1017 H SER A 409 54.254 54.745 44.718 1.00 0.00 H ATOM 1018 N GLY A 410 51.321 55.184 44.246 1.00 28.39 N ATOM 1019 CA GLY A 410 50.131 55.126 43.456 1.00 18.86 C ATOM 1020 C GLY A 410 50.353 55.513 42.011 1.00 16.52 C ATOM 1021 O GLY A 410 49.403 55.589 41.231 1.00 20.55 O ATOM 1022 H GLY A 410 51.922 54.340 44.336 1.00 0.00 H ATOM 1023 N ARG A 411 51.612 55.655 41.589 1.00 16.63 N ATOM 1024 CA ARG A 411 51.866 56.007 40.189 1.00 16.03 C ATOM 1025 C ARG A 411 51.878 54.788 39.262 1.00 15.61 C ATOM 1026 O ARG A 411 52.291 53.714 39.629 1.00 16.62 O ATOM 1027 CB ARG A 411 53.180 56.781 40.073 1.00 25.99 C ATOM 1028 CG ARG A 411 52.963 58.191 40.595 1.00 40.44 C ATOM 1029 CD ARG A 411 54.181 59.022 40.660 1.00 33.11 C ATOM 1030 NE ARG A 411 53.851 60.405 41.030 1.00 44.05 N ATOM 1031 CZ ARG A 411 53.462 60.798 42.243 1.00 50.78 C ATOM 1032 NH1 ARG A 411 53.330 59.930 43.231 1.00 50.38 N ATOM 1033 NH2 ARG A 411 53.198 62.074 42.473 1.00 47.39 N ATOM 1034 HE ARG A 411 53.927 61.132 40.290 1.00 0.00 H ATOM 1035 HH12 ARG A 411 53.025 60.254 44.171 1.00 0.00 H ATOM 1036 HH11 ARG A 411 53.531 58.923 43.068 1.00 0.00 H ATOM 1037 HH22 ARG A 411 52.895 62.380 43.420 1.00 0.00 H ATOM 1038 HH21 ARG A 411 53.294 62.771 41.707 1.00 0.00 H ATOM 1039 H ARG A 411 52.405 55.517 42.248 1.00 0.00 H ATOM 1040 N ILE A 412 51.325 54.962 38.079 1.00 15.25 N ATOM 1041 CA ILE A 412 51.371 53.943 37.048 1.00 15.79 C ATOM 1042 C ILE A 412 52.752 53.908 36.392 1.00 22.11 C ATOM 1043 O ILE A 412 53.240 54.908 35.876 1.00 18.86 O ATOM 1044 CB ILE A 412 50.284 54.200 36.001 1.00 15.69 C ATOM 1045 CG1 ILE A 412 48.899 54.150 36.656 1.00 15.05 C ATOM 1046 CG2 ILE A 412 50.415 53.211 34.826 1.00 17.56 C ATOM 1047 CD1 ILE A 412 47.837 54.875 35.853 1.00 19.65 C ATOM 1048 H ILE A 412 50.840 55.859 37.878 1.00 0.00 H ATOM 1049 N VAL A 413 53.389 52.748 36.407 1.00 16.07 N ATOM 1050 CA VAL A 413 54.673 52.602 35.748 1.00 22.64 C ATOM 1051 C VAL A 413 54.590 51.493 34.723 1.00 17.05 C ATOM 1052 O VAL A 413 53.976 50.446 34.953 1.00 16.80 O ATOM 1053 CB VAL A 413 55.807 52.328 36.759 1.00 19.61 C ATOM 1054 CG1 VAL A 413 55.937 53.492 37.720 1.00 30.00 C ATOM 1055 CG2 VAL A 413 55.541 51.067 37.515 1.00 30.52 C ATOM 1056 H VAL A 413 52.965 51.934 36.896 1.00 0.00 H ATOM 1057 N THR A 414 55.268 51.704 33.609 1.00 17.82 N ATOM 1058 CA THR A 414 55.324 50.696 32.566 1.00 21.57 C ATOM 1059 C THR A 414 56.761 50.251 32.415 1.00 29.73 C ATOM 1060 O THR A 414 57.681 51.067 32.345 1.00 38.63 O ATOM 1061 CB THR A 414 54.780 51.232 31.233 1.00 34.41 C ATOM 1062 OG1 THR A 414 53.424 51.661 31.414 1.00 22.39 O ATOM 1063 CG2 THR A 414 54.824 50.159 30.170 1.00 26.58 C ATOM 1064 HG1 THR A 414 53.071 52.007 30.556 1.00 0.00 H ATOM 1065 H THR A 414 55.769 52.606 33.477 1.00 0.00 H ATOM 1066 N ASP A 415 56.945 48.940 32.375 1.00 20.73 N ATOM 1067 CA ASP A 415 58.251 48.369 32.264 1.00 24.31 C ATOM 1068 C ASP A 415 58.568 48.069 30.804 1.00 43.32 C ATOM 1069 O ASP A 415 59.720 47.814 30.455 1.00 58.57 O ATOM 1070 CB ASP A 415 58.327 47.095 33.093 1.00 24.69 C ATOM 1071 CG ASP A 415 58.093 47.345 34.563 1.00 24.82 C ATOM 1072 OD1 ASP A 415 58.819 48.159 35.177 1.00 29.33 O ATOM 1073 OD2 ASP A 415 57.145 46.734 35.097 1.00 26.87 O ATOM 1074 OXT ASP A 415 57.669 48.061 29.954 1.00 44.32 O ATOM 1075 H ASP A 415 56.119 48.310 32.426 1.00 0.00 H TER 1076 ASP A 415 HETATM 1077 O HOH 1 41.857 50.848 42.278 1.00 48.21 O HETATM 1078 O HOH 2 39.151 74.327 34.732 1.00 37.34 O HETATM 1079 O HOH 3 27.870 51.422 23.230 1.00 36.08 O HETATM 1080 O HOH 4 29.015 62.406 39.287 1.00 31.51 O HETATM 1081 O HOH 5 32.002 51.415 32.270 1.00 34.91 O HETATM 1082 O HOH 6 38.653 72.570 36.933 1.00 21.06 O HETATM 1083 O HOH 7 48.393 49.747 44.354 1.00 26.43 O HETATM 1084 O HOH 8 43.597 62.355 22.647 1.00 16.71 O HETATM 1085 O HOH 9 45.153 75.011 34.274 1.00 23.96 O HETATM 1086 O HOH 10 32.114 77.086 20.603 1.00 22.45 O HETATM 1087 O HOH 11 52.741 54.218 29.424 1.00 34.70 O HETATM 1088 O HOH 12 60.829 49.646 34.516 1.00 44.29 O HETATM 1089 O HOH 13 44.816 74.018 36.814 1.00 36.32 O HETATM 1090 O HOH 14 41.090 60.882 42.657 1.00 10.80 O HETATM 1091 O HOH 15 26.872 64.921 26.959 1.00 34.46 O HETATM 1092 O HOH 16 49.425 63.809 48.514 1.00 38.42 O HETATM 1093 O HOH 17 29.583 79.953 21.686 1.00 24.15 O HETATM 1094 O HOH 18 47.883 74.596 23.315 1.00 26.70 O HETATM 1095 O HOH 19 44.768 67.741 26.378 1.00 10.86 O HETATM 1096 O HOH 20 48.054 67.830 32.449 1.00 28.49 O HETATM 1097 O HOH 21 50.246 51.572 45.494 1.00 39.83 O HETATM 1098 O HOH 22 29.224 69.083 39.749 1.00 38.24 O HETATM 1099 O HOH 23 33.400 55.189 34.314 1.00 12.80 O HETATM 1100 O HOH 24 55.688 44.668 34.185 1.00 29.11 O HETATM 1101 O HOH 25 36.592 59.557 18.513 1.00 36.24 O HETATM 1102 O HOH 26 51.732 50.961 26.456 1.00 14.49 O HETATM 1103 O HOH 27 40.154 56.098 43.887 1.00 11.14 O HETATM 1104 O HOH 28 51.899 69.072 28.820 1.00 24.35 O HETATM 1105 O HOH 29 35.283 53.365 44.555 1.00 33.18 O HETATM 1106 O HOH 30 50.668 72.251 28.433 1.00 33.56 O HETATM 1107 O HOH 31 36.155 64.131 47.130 1.00 28.64 O HETATM 1108 O HOH 32 47.620 57.129 45.495 1.00 32.61 O HETATM 1109 O HOH 33 39.819 69.599 40.199 1.00 30.20 O HETATM 1110 O HOH 34 25.671 59.079 25.318 1.00 26.24 O HETATM 1111 O HOH 35 29.310 71.981 32.448 1.00 28.14 O HETATM 1112 O HOH 36 45.597 42.585 31.948 1.00 32.76 O HETATM 1113 O HOH 37 53.314 48.925 27.286 1.00 29.31 O HETATM 1114 O HOH 38 36.060 76.675 19.593 1.00 23.12 O HETATM 1115 O HOH 39 43.927 62.813 42.121 1.00 20.45 O HETATM 1116 O HOH 40 54.540 47.883 41.435 1.00 17.59 O HETATM 1117 O HOH 41 25.605 53.817 36.241 1.00 27.55 O HETATM 1118 O HOH 42 49.370 45.388 32.854 1.00 26.78 O HETATM 1119 O HOH 43 30.084 73.166 36.449 1.00 30.89 O HETATM 1120 O HOH 44 26.525 52.972 21.274 1.00 30.46 O HETATM 1121 O HOH 45 58.403 53.380 40.990 1.00 38.81 O HETATM 1122 O HOH 46 39.484 74.694 30.656 1.00 32.88 O HETATM 1123 O HOH 47 39.722 74.969 22.603 1.00 33.09 O HETATM 1124 O HOH 48 29.851 69.304 22.371 1.00 19.34 O HETATM 1125 O HOH 49 41.669 67.236 39.992 1.00 23.66 O HETATM 1126 O HOH 50 60.721 64.674 48.633 1.00 38.68 O HETATM 1127 O HOH 51 26.618 54.691 33.908 1.00 22.38 O HETATM 1128 O HOH 52 45.267 67.573 33.006 1.00 25.46 O HETATM 1129 O HOH 53 33.335 50.408 29.617 1.00 36.31 O HETATM 1130 O HOH 54 56.655 54.260 33.533 1.00 27.70 O HETATM 1131 O HOH 55 30.339 72.635 19.980 1.00 21.16 O HETATM 1132 O HOH 56 29.523 65.625 36.005 1.00 13.60 O HETATM 1133 O HOH 57 42.161 55.984 19.768 1.00 28.11 O HETATM 1134 O HOH 58 44.034 73.720 23.491 1.00 40.56 O HETATM 1135 O HOH 59 48.920 61.509 33.021 1.00 25.08 O HETATM 1136 O HOH 60 51.751 61.400 50.693 1.00 38.27 O HETATM 1137 O HOH 61 43.564 59.705 48.873 1.00 25.37 O HETATM 1138 O HOH 62 50.326 46.879 40.320 1.00 23.53 O HETATM 1139 O HOH 63 27.062 79.466 23.183 1.00 37.76 O HETATM 1140 O HOH 64 48.818 53.967 46.357 1.00 32.57 O HETATM 1141 O HOH 65 32.613 51.478 37.622 1.00 29.65 O HETATM 1142 O HOH 66 41.105 75.375 27.352 1.00 35.37 O HETATM 1143 O HOH 67 34.454 77.221 26.290 1.00 44.67 O HETATM 1144 O HOH 68 27.565 74.448 24.644 1.00 43.28 O HETATM 1145 O HOH 69 41.358 53.994 45.084 1.00 18.71 O HETATM 1146 O HOH 70 25.720 67.534 28.439 1.00 37.82 O HETATM 1147 O HOH 71 27.234 70.295 33.794 1.00 46.48 O HETATM 1148 O HOH 72 40.688 73.723 33.560 1.00 43.89 O HETATM 1149 O HOH 73 45.483 77.204 30.829 1.00 36.14 O HETATM 1150 O HOH 74 27.045 62.530 17.742 1.00 37.97 O HETATM 1151 O HOH 75 55.507 46.907 26.256 1.00 46.17 O HETATM 1152 O HOH 76 28.497 75.300 27.600 1.00 33.71 O HETATM 1153 O HOH 77 38.496 76.619 34.447 1.00 42.22 O HETATM 1154 O HOH 78 31.188 71.214 21.969 1.00 41.86 O HETATM 1155 O HOH 79 22.298 65.400 34.166 1.00 43.84 O HETATM 1156 O HOH 80 40.268 51.649 44.682 1.00 20.88 O HETATM 1157 O HOH 81 33.854 79.261 22.044 1.00 35.88 O HETATM 1158 O HOH 82 57.156 49.951 43.227 1.00 37.57 O HETATM 1159 O HOH 83 43.432 65.225 49.390 1.00 50.29 O HETATM 1160 O HOH 84 27.923 69.234 20.085 1.00 35.08 O HETATM 1161 O HOH 85 41.981 47.759 43.508 1.00 40.93 O HETATM 1162 O HOH 86 28.473 67.369 37.835 1.00 26.04 O HETATM 1163 O HOH 87 44.455 65.471 42.544 1.00 35.74 O HETATM 1164 O HOH 88 27.190 69.493 35.968 1.00 38.96 O HETATM 1165 O HOH 89 31.846 57.938 18.096 1.00 58.87 O HETATM 1166 O HOH 90 27.015 65.147 39.209 1.00 47.49 O HETATM 1167 O HOH 91 46.685 45.645 41.129 1.00 46.99 O HETATM 1168 O HOH 92 26.660 73.063 22.515 1.00 35.50 O HETATM 1169 O HOH 93 46.515 55.984 24.122 1.00 22.04 O HETATM 1170 O HOH 94 34.838 66.187 21.994 1.00 16.64 O HETATM 1171 O HOH 95 41.734 63.841 21.510 1.00 16.13 O HETATM 1172 O HOH 96 39.514 50.659 19.923 1.00 34.44 O HETATM 1173 O HOH 97 38.836 57.766 18.261 1.00 29.46 O HETATM 1174 O HOH 98 38.363 63.841 18.772 1.00 48.07 O HETATM 1175 N LYS A 99 39.970 42.332 23.257 1.00 0.24 N HETATM 1176 CA LYS A 99 39.451 41.815 24.535 1.00 0.06 C HETATM 1177 C LYS A 99 38.121 42.459 24.911 1.00 0.23 C HETATM 1178 O LYS A 99 37.776 42.604 26.073 1.00 -0.39 O HETATM 1179 N LYS A 99 37.384 42.848 23.898 1.00 -0.26 N HETATM 1180 CA LYS A 99 36.201 43.655 24.065 1.00 0.13 C HETATM 1181 C LYS A 99 36.570 45.083 24.447 1.00 0.20 C HETATM 1182 O LYS A 99 35.717 45.870 24.771 1.00 -0.39 O HETATM 1183 N LYS A 99 37.853 45.381 24.346 1.00 -0.26 N HETATM 1184 CA LYS A 99 38.380 46.665 24.700 1.00 0.14 C HETATM 1185 C LYS A 99 38.088 47.618 23.567 1.00 0.21 C HETATM 1186 O LYS A 99 38.134 47.243 22.436 1.00 -0.39 O HETATM 1187 N LYS A 99 37.867 48.870 23.908 1.00 -0.26 N HETATM 1188 CA LYS A 99 37.718 49.925 22.900 1.00 0.13 C HETATM 1189 C LYS A 99 38.423 51.174 23.392 1.00 0.20 C HETATM 1190 O LYS A 99 38.429 51.432 24.599 1.00 -0.39 O HETATM 1191 N LYS A 99 39.035 51.933 22.480 1.00 -0.26 N HETATM 1192 CA LYS A 99 39.648 53.216 22.839 1.00 0.13 C HETATM 1193 C LYS A 99 39.254 54.313 21.844 1.00 0.20 C HETATM 1194 O LYS A 99 39.246 54.093 20.623 1.00 -0.39 O HETATM 1195 N LYS A 99 38.893 55.476 22.385 1.00 -0.26 N HETATM 1196 CA LYS A 99 38.382 56.625 21.614 1.00 0.14 C HETATM 1197 C LYS A 99 39.076 57.913 22.013 1.00 0.21 C HETATM 1198 O LYS A 99 39.349 58.157 23.171 1.00 -0.39 O HETATM 1199 N LYS A 99 39.329 58.758 21.017 1.00 -0.26 N HETATM 1200 CA LYS A 99 39.804 60.115 21.251 1.00 0.15 C HETATM 1201 C LYS A 99 38.597 61.022 21.405 1.00 0.21 C HETATM 1202 O LYS A 99 37.642 60.950 20.618 1.00 -0.39 O HETATM 1203 N LYS A 99 38.612 61.876 22.415 1.00 -0.27 N HETATM 1204 CA LYS A 99 37.540 62.824 22.601 1.00 0.10 C HETATM 1205 C LYS A 99 38.118 64.253 22.711 1.00 0.06 C HETATM 1206 O LYS A 99 37.327 65.206 22.710 1.00 -0.57 O HETATM 1207 OXT LYS A 99 39.337 64.521 22.782 1.00 -0.57 O HETATM 1208 CB LYS A 99 36.665 62.461 23.833 1.00 -0.01 C HETATM 1209 CG1 LYS A 99 36.029 61.088 23.693 1.00 -0.06 C HETATM 1210 H56 LYS A 99 35.421 60.873 24.584 1.00 0.02 H HETATM 1211 H57 LYS A 99 36.817 60.327 23.595 1.00 0.02 H HETATM 1212 H58 LYS A 99 35.389 61.070 22.799 1.00 0.02 H HETATM 1213 CG2 LYS A 99 37.484 62.481 25.088 1.00 -0.06 C HETATM 1214 H59 LYS A 99 37.952 63.470 25.205 1.00 0.02 H HETATM 1215 H60 LYS A 99 38.266 61.710 25.028 1.00 0.02 H HETATM 1216 H61 LYS A 99 36.835 62.278 25.953 1.00 0.02 H HETATM 1217 H55 LYS A 99 35.865 63.211 23.919 1.00 0.03 H HETATM 1218 H54 LYS A 99 36.895 62.786 21.711 1.00 0.07 H HETATM 1219 H53 LYS A 99 39.377 61.864 23.059 1.00 0.19 H HETATM 1220 CB LYS A 99 40.665 60.595 20.071 1.00 0.08 C HETATM 1221 OG LYS A 99 41.793 59.776 19.876 1.00 -0.39 O HETATM 1222 H52 LYS A 99 42.298 60.104 19.141 1.00 0.21 H HETATM 1223 H50 LYS A 99 41.002 61.623 20.272 1.00 0.06 H HETATM 1224 H51 LYS A 99 40.054 60.582 19.157 1.00 0.06 H HETATM 1225 H49 LYS A 99 40.405 60.140 22.172 1.00 0.08 H HETATM 1226 H48 LYS A 99 39.188 58.451 20.076 1.00 0.19 H HETATM 1227 CB LYS A 99 36.873 56.828 21.829 1.00 0.02 C HETATM 1228 CG LYS A 99 36.038 55.729 21.266 1.00 -0.04 C HETATM 1229 CD1 LYS A 99 35.606 55.793 19.970 1.00 -0.06 C HETATM 1230 CE1 LYS A 99 34.843 54.769 19.416 1.00 -0.07 C HETATM 1231 CZ LYS A 99 34.504 53.677 20.184 1.00 -0.07 C HETATM 1232 CE2 LYS A 99 34.924 53.601 21.486 1.00 -0.07 C HETATM 1233 CD2 LYS A 99 35.698 54.628 22.028 1.00 -0.06 C HETATM 1234 H44 LYS A 99 36.035 54.561 23.056 1.00 0.06 H HETATM 1235 H46 LYS A 99 34.656 52.745 22.094 1.00 0.06 H HETATM 1236 H47 LYS A 99 33.906 52.879 19.759 1.00 0.06 H HETATM 1237 H45 LYS A 99 34.517 54.831 18.384 1.00 0.06 H HETATM 1238 H43 LYS A 99 35.862 56.655 19.364 1.00 0.06 H HETATM 1239 H41 LYS A 99 36.577 57.772 21.348 1.00 0.05 H HETATM 1240 H42 LYS A 99 36.681 56.892 22.910 1.00 0.05 H HETATM 1241 H40 LYS A 99 38.569 56.433 20.547 1.00 0.08 H HETATM 1242 H39 LYS A 99 38.974 55.576 23.377 1.00 0.19 H HETATM 1243 CB LYS A 99 41.182 53.080 22.927 1.00 0.00 C HETATM 1244 CG LYS A 99 41.878 54.365 23.351 1.00 0.04 C HETATM 1245 CD LYS A 99 43.298 54.173 23.892 1.00 0.17 C HETATM 1246 OE1 LYS A 99 43.989 55.159 24.197 1.00 -0.40 O HETATM 1247 NE2 LYS A 99 43.786 52.924 23.896 1.00 -0.30 N HETATM 1248 H37 LYS A 99 44.709 52.749 24.240 1.00 0.18 H HETATM 1249 H38 LYS A 99 43.227 52.168 23.555 1.00 0.18 H HETATM 1250 H35 LYS A 99 41.273 54.840 24.137 1.00 0.05 H HETATM 1251 H36 LYS A 99 41.931 55.031 22.477 1.00 0.05 H HETATM 1252 H33 LYS A 99 41.564 52.786 21.938 1.00 0.03 H HETATM 1253 H34 LYS A 99 41.421 52.295 23.660 1.00 0.03 H HETATM 1254 H32 LYS A 99 39.273 53.507 23.831 1.00 0.08 H HETATM 1255 H31 LYS A 99 39.076 51.620 21.531 1.00 0.19 H HETATM 1256 CB LYS A 99 36.242 50.229 22.638 1.00 -0.01 C HETATM 1257 CG LYS A 99 35.437 49.080 22.160 1.00 -0.05 C HETATM 1258 CD LYS A 99 35.566 48.907 20.645 1.00 -0.07 C HETATM 1259 H28 LYS A 99 34.959 48.049 20.321 1.00 0.02 H HETATM 1260 H29 LYS A 99 36.620 48.730 20.385 1.00 0.02 H HETATM 1261 H30 LYS A 99 35.212 49.818 20.140 1.00 0.02 H HETATM 1262 H26 LYS A 99 34.380 49.252 22.413 1.00 0.03 H HETATM 1263 H27 LYS A 99 35.789 48.164 22.657 1.00 0.03 H HETATM 1264 H24 LYS A 99 36.188 51.022 21.878 1.00 0.03 H HETATM 1265 H25 LYS A 99 35.797 50.589 23.577 1.00 0.03 H HETATM 1266 H23 LYS A 99 38.184 49.592 21.961 1.00 0.08 H HETATM 1267 H22 LYS A 99 37.799 49.107 24.877 1.00 0.19 H HETATM 1268 CB LYS A 99 39.857 46.541 25.012 1.00 0.02 C HETATM 1269 CG LYS A 99 40.778 47.575 24.432 1.00 -0.05 C HETATM 1270 CD1 LYS A 99 41.262 47.452 23.170 1.00 -0.07 C HETATM 1271 CE1 LYS A 99 42.106 48.390 22.644 1.00 -0.04 C HETATM 1272 CZ LYS A 99 42.461 49.458 23.386 1.00 0.08 C HETATM 1273 CE2 LYS A 99 41.947 49.615 24.632 1.00 -0.04 C HETATM 1274 CD2 LYS A 99 41.107 48.679 25.141 1.00 -0.07 C HETATM 1275 H18 LYS A 99 40.692 48.818 26.133 1.00 0.05 H HETATM 1276 H20 LYS A 99 42.207 50.487 25.220 1.00 0.05 H HETATM 1277 OH LYS A 99 43.247 50.398 22.935 1.00 -0.34 O HETATM 1278 H21 LYS A 99 43.539 50.172 22.060 1.00 0.25 H HETATM 1279 H19 LYS A 99 42.488 48.276 21.636 1.00 0.05 H HETATM 1280 H17 LYS A 99 40.975 46.596 22.570 1.00 0.05 H HETATM 1281 H15 LYS A 99 40.190 45.559 24.644 1.00 0.05 H HETATM 1282 H16 LYS A 99 39.967 46.579 26.106 1.00 0.05 H HETATM 1283 H14 LYS A 99 37.868 47.030 25.603 1.00 0.08 H HETATM 1284 H13 LYS A 99 38.482 44.681 24.008 1.00 0.19 H HETATM 1285 CB LYS A 99 35.296 43.074 25.113 1.00 -0.02 C HETATM 1286 H10 LYS A 99 34.404 43.708 25.219 1.00 0.03 H HETATM 1287 H11 LYS A 99 35.830 43.028 26.074 1.00 0.03 H HETATM 1288 H12 LYS A 99 34.992 42.060 24.814 1.00 0.03 H HETATM 1289 H9 LYS A 99 35.660 43.676 23.108 1.00 0.08 H HETATM 1290 H8 LYS A 99 37.653 42.574 22.974 1.00 0.19 H HETATM 1291 CB LYS A 99 40.479 42.085 25.635 1.00 -0.00 C HETATM 1292 H5 LYS A 99 40.099 41.702 26.594 1.00 0.03 H HETATM 1293 H6 LYS A 99 40.653 43.168 25.716 1.00 0.03 H HETATM 1294 H7 LYS A 99 41.424 41.579 25.386 1.00 0.03 H HETATM 1295 H4 LYS A 99 39.300 40.730 24.441 1.00 0.11 H HETATM 1296 H1 LYS A 99 40.847 41.883 23.044 1.00 0.20 H HETATM 1297 H2 LYS A 99 40.111 43.328 23.330 1.00 0.20 H HETATM 1298 H3 LYS A 99 39.307 42.139 22.523 1.00 0.20 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 1175 1176 1296 1297 1298 CONECT 1176 1175 1177 1291 1295 CONECT 1177 1176 1178 1179 CONECT 1178 1177 CONECT 1179 1177 1180 1290 CONECT 1180 1179 1181 1285 1289 CONECT 1181 1180 1182 1183 CONECT 1182 1181 CONECT 1183 1181 1184 1284 CONECT 1184 1183 1185 1268 1283 CONECT 1185 1184 1186 1187 CONECT 1186 1185 CONECT 1187 1185 1188 1267 CONECT 1188 1187 1189 1256 1266 CONECT 1189 1188 1190 1191 CONECT 1190 1189 CONECT 1191 1189 1192 1255 CONECT 1192 1191 1193 1243 1254 CONECT 1193 1192 1194 1195 CONECT 1194 1193 CONECT 1195 1193 1196 1242 CONECT 1196 1195 1197 1227 1241 CONECT 1197 1196 1198 1199 CONECT 1198 1197 CONECT 1199 1197 1200 1226 CONECT 1200 1199 1201 1220 1225 CONECT 1201 1200 1202 1203 CONECT 1202 1201 CONECT 1203 1201 1204 1219 CONECT 1204 1203 1205 1208 1218 CONECT 1205 1204 1206 1207 CONECT 1206 1205 CONECT 1207 1205 CONECT 1208 1204 1209 1213 1217 CONECT 1209 1208 1210 1211 1212 CONECT 1210 1209 CONECT 1211 1209 CONECT 1212 1209 CONECT 1213 1208 1214 1215 1216 CONECT 1214 1213 CONECT 1215 1213 CONECT 1216 1213 CONECT 1217 1208 CONECT 1218 1204 CONECT 1219 1203 CONECT 1220 1200 1221 1223 1224 CONECT 1221 1220 1222 CONECT 1222 1221 CONECT 1223 1220 CONECT 1224 1220 CONECT 1225 1200 CONECT 1226 1199 CONECT 1227 1196 1228 1239 1240 CONECT 1228 1227 1229 1233 CONECT 1229 1228 1230 1238 CONECT 1230 1229 1231 1237 CONECT 1231 1230 1232 1236 CONECT 1232 1231 1233 1235 CONECT 1233 1228 1232 1234 CONECT 1234 1233 CONECT 1235 1232 CONECT 1236 1231 CONECT 1237 1230 CONECT 1238 1229 CONECT 1239 1227 CONECT 1240 1227 CONECT 1241 1196 CONECT 1242 1195 CONECT 1243 1192 1244 1252 1253 CONECT 1244 1243 1245 1250 1251 CONECT 1245 1244 1246 1247 CONECT 1246 1245 CONECT 1247 1245 1248 1249 CONECT 1248 1247 CONECT 1249 1247 CONECT 1250 1244 CONECT 1251 1244 CONECT 1252 1243 CONECT 1253 1243 CONECT 1254 1192 CONECT 1255 1191 CONECT 1256 1188 1257 1264 1265 CONECT 1257 1256 1258 1262 1263 CONECT 1258 1257 1259 1260 1261 CONECT 1259 1258 CONECT 1260 1258 CONECT 1261 1258 CONECT 1262 1257 CONECT 1263 1257 CONECT 1264 1256 CONECT 1265 1256 CONECT 1266 1188 CONECT 1267 1187 CONECT 1268 1184 1269 1281 1282 CONECT 1269 1268 1270 1274 CONECT 1270 1269 1271 1280 CONECT 1271 1270 1272 1279 CONECT 1272 1271 1273 1277 CONECT 1273 1272 1274 1276 CONECT 1274 1269 1273 1275 CONECT 1275 1274 CONECT 1276 1273 CONECT 1277 1272 1278 CONECT 1278 1277 CONECT 1279 1271 CONECT 1280 1270 CONECT 1281 1268 CONECT 1282 1268 CONECT 1283 1184 CONECT 1284 1183 CONECT 1285 1180 1286 1287 1288 CONECT 1286 1285 CONECT 1287 1285 CONECT 1288 1285 CONECT 1289 1180 CONECT 1290 1179 CONECT 1291 1176 1292 1293 1294 CONECT 1292 1291 CONECT 1293 1291 CONECT 1294 1291 CONECT 1295 1176 CONECT 1296 1175 CONECT 1297 1175 CONECT 1298 1175 MASTER 0 0 0 0 0 0 0 0 1297 1 127 9 END
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Protein Sequence Similarity
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PDBbind
119aa, >5HEB_1|Chain... *
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PDB Code
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PDBbind
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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
5hfb
RCSB PDB
PDBbind
9-mer
5hfc
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
5hff
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
third PDZ domain from the synaptic protein PSD-95 (G330T, H372A double mutant)
Ligand Name
9-mer
EC.Number
E.C.-.-.-.-
Resolution
1.75(Å)
Affinity (Kd/Ki/IC50)
Kd=0.5uM
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
2
H
6
2
N
9
O
1
2
Molecular Weight
884.995
Exact Mass
884.452
No. of atoms
125
No. of bonds
126
Polar Surface Area
352.19
LOGP Value
-1.43 (
Computed with XLOGP3
)
0.46 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 11
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 34
No. of Nitrogen and Oxygen Atoms: 21
No. of Rings: 2
Canonical SMILES
CCC[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](NC(=O)[C@@H]([NH3+])C)C)Cc1ccc(cc1)O
InChI String
InChI=1S/C42H61N9O12/c1-6-10-28(46-39(59)30(20-26-13-15-27(53)16-14-26)48-36(56)24(5)45-35(55)23(4)43)37(57)47-29(17-18-33(44)54)38(58)49-31(19-25-11-8-7-9-12-25)40(60)50-32(21-52)41(61)51-34(22(2)3)42(62)63/h7-9,11-16,22-24,28-32,34,52-53H,6,10,17-21,43H2,1-5H3,(H2,44,54)(H,45,55)(H,46,59)(H,47,57)(H,48,56)(H,49,58)(H,50,60)(H,51,61)(H,62,63)/p+1/t23-,24-,28-,29-,30-,31-,32-,34-/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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