Browse entries in the PDBbind-CN Database
HEADER 5HEB_COMPLEX COMPND 5HEB_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 119 GLY SER PRO GLU PHE LEU GLY GLU GLU ASP ILE PRO ARG SEQRES 2 A 119 GLU PRO ARG ARG ILE VAL ILE HIS ARG GLY SER THR GLY SEQRES 3 A 119 LEU GLY PHE ASN ILE VAL GLY GLY GLU ASP GLY GLU GLY SEQRES 4 A 119 ILE PHE ILE SER PHE ILE LEU ALA GLY GLY PRO ALA ASP SEQRES 5 A 119 LEU SER GLY GLU LEU ARG LYS GLY ASP GLN ILE LEU SER SEQRES 6 A 119 VAL ASN GLY VAL ASP LEU ARG ASN ALA SER HIS GLU GLN SEQRES 7 A 119 ALA ALA ILE ALA LEU LYS ASN ALA GLY GLN THR VAL THR SEQRES 8 A 119 ILE ILE ALA GLN TYR LYS PRO GLU GLU TYR SER ARG PHE SEQRES 9 A 119 GLU ALA ASN SER ARG VAL ASP SER SER GLY ARG ILE VAL SEQRES 10 A 119 THR ASP HET ASN A 241 103 ATOM 1 N GLY A 297 68.873 74.278 50.564 1.00 46.65 N ATOM 2 CA GLY A 297 67.870 73.431 51.188 1.00 67.21 C ATOM 3 C GLY A 297 67.569 72.171 50.395 1.00 81.34 C ATOM 4 O GLY A 297 67.550 72.193 49.164 1.00 84.50 O ATOM 5 HN3 GLY A 297 68.541 74.571 49.623 1.00 0.00 H ATOM 6 HN2 GLY A 297 69.762 73.747 50.469 1.00 0.00 H ATOM 7 HN1 GLY A 297 69.031 75.119 51.155 1.00 0.00 H ATOM 8 N SER A 298 67.331 71.070 51.102 1.00 94.11 N ATOM 9 CA SER A 298 67.046 69.790 50.458 1.00 84.44 C ATOM 10 C SER A 298 65.726 69.842 49.681 1.00 74.58 C ATOM 11 O SER A 298 64.711 70.297 50.211 1.00 61.16 O ATOM 12 CB SER A 298 67.002 68.672 51.500 1.00 64.68 C ATOM 13 OG SER A 298 68.302 68.380 51.987 1.00 52.47 O ATOM 14 HG SER A 298 68.246 67.655 52.659 1.00 0.00 H ATOM 15 H SER A 298 67.348 71.122 52.141 1.00 0.00 H ATOM 16 N PRO A 299 65.731 69.365 48.422 1.00 64.71 N ATOM 17 CA PRO A 299 64.544 69.515 47.571 1.00 62.09 C ATOM 18 C PRO A 299 63.366 68.635 47.983 1.00 56.86 C ATOM 19 O PRO A 299 63.550 67.566 48.566 1.00 62.07 O ATOM 20 CB PRO A 299 65.058 69.113 46.186 1.00 63.58 C ATOM 21 CG PRO A 299 66.156 68.156 46.463 1.00 69.04 C ATOM 22 CD PRO A 299 66.809 68.634 47.731 1.00 68.70 C ATOM 23 N GLU A 300 62.162 69.098 47.661 1.00 44.23 N ATOM 24 CA GLU A 300 60.929 68.389 47.988 1.00 41.56 C ATOM 25 C GLU A 300 60.235 67.926 46.713 1.00 35.15 C ATOM 26 O GLU A 300 59.571 68.707 46.041 1.00 22.36 O ATOM 27 CB GLU A 300 60.004 69.293 48.806 1.00 40.84 C ATOM 28 CG GLU A 300 58.688 68.660 49.218 1.00 40.77 C ATOM 29 CD GLU A 300 58.028 69.419 50.356 1.00 50.87 C ATOM 30 OE1 GLU A 300 57.042 70.142 50.102 1.00 29.65 O ATOM 31 OE2 GLU A 300 58.503 69.299 51.507 1.00 72.71 O ATOM 32 H GLU A 300 62.096 70.004 47.155 1.00 0.00 H ATOM 33 N PHE A 301 60.384 66.643 46.391 1.00 28.42 N ATOM 34 CA PHE A 301 59.870 66.096 45.144 1.00 27.26 C ATOM 35 C PHE A 301 58.404 65.700 45.254 1.00 38.24 C ATOM 36 O PHE A 301 57.974 65.102 46.243 1.00 40.56 O ATOM 37 CB PHE A 301 60.702 64.885 44.717 1.00 26.81 C ATOM 38 CG PHE A 301 62.144 65.203 44.485 1.00 28.94 C ATOM 39 CD1 PHE A 301 62.520 66.029 43.440 1.00 25.32 C ATOM 40 CD2 PHE A 301 63.127 64.678 45.309 1.00 39.63 C ATOM 41 CE1 PHE A 301 63.854 66.330 43.220 1.00 28.32 C ATOM 42 CE2 PHE A 301 64.462 64.974 45.095 1.00 39.38 C ATOM 43 CZ PHE A 301 64.825 65.802 44.048 1.00 34.12 C ATOM 44 H PHE A 301 60.883 66.012 47.051 1.00 0.00 H ATOM 45 N LEU A 302 57.640 66.036 44.223 1.00 27.47 N ATOM 46 CA LEU A 302 56.221 65.713 44.198 1.00 31.89 C ATOM 47 C LEU A 302 56.014 64.228 43.965 1.00 31.87 C ATOM 48 O LEU A 302 54.962 63.686 44.296 1.00 34.40 O ATOM 49 CB LEU A 302 55.509 66.525 43.117 1.00 39.51 C ATOM 50 CG LEU A 302 55.498 68.038 43.340 1.00 36.46 C ATOM 51 CD1 LEU A 302 54.826 68.728 42.171 1.00 40.61 C ATOM 52 CD2 LEU A 302 54.799 68.396 44.642 1.00 47.77 C ATOM 53 H LEU A 302 58.063 66.540 43.417 1.00 0.00 H ATOM 54 N GLY A 303 57.027 63.573 43.403 1.00 36.73 N ATOM 55 CA GLY A 303 56.920 62.176 43.021 1.00 43.28 C ATOM 56 C GLY A 303 56.795 61.222 44.190 1.00 31.30 C ATOM 57 O GLY A 303 56.404 60.072 44.016 1.00 32.84 O ATOM 58 H GLY A 303 57.921 64.076 43.232 1.00 0.00 H ATOM 59 N GLU A 304 57.128 61.697 45.385 1.00 31.73 N ATOM 60 CA GLU A 304 57.034 60.875 46.587 1.00 56.95 C ATOM 61 C GLU A 304 55.625 60.889 47.172 1.00 45.95 C ATOM 62 O GLU A 304 55.234 59.967 47.887 1.00 49.04 O ATOM 63 CB GLU A 304 58.031 61.355 47.649 1.00 85.75 C ATOM 64 CG GLU A 304 59.422 60.739 47.550 1.00 86.02 C ATOM 65 CD GLU A 304 60.282 61.384 46.480 1.00 76.03 C ATOM 66 OE1 GLU A 304 61.469 61.657 46.761 1.00 57.14 O ATOM 67 OE2 GLU A 304 59.778 61.612 45.361 1.00 80.87 O ATOM 68 H GLU A 304 57.464 62.678 45.466 1.00 0.00 H ATOM 69 N GLU A 305 54.866 61.938 46.869 1.00 25.91 N ATOM 70 CA GLU A 305 53.574 62.148 47.511 1.00 19.23 C ATOM 71 C GLU A 305 52.467 61.323 46.870 1.00 17.96 C ATOM 72 O GLU A 305 52.378 61.211 45.646 1.00 16.74 O ATOM 73 CB GLU A 305 53.217 63.638 47.479 1.00 15.82 C ATOM 74 CG GLU A 305 54.186 64.482 48.304 1.00 20.63 C ATOM 75 CD GLU A 305 54.157 65.950 47.953 1.00 30.97 C ATOM 76 OE1 GLU A 305 53.251 66.377 47.205 1.00 31.73 O ATOM 77 OE2 GLU A 305 55.057 66.671 48.433 1.00 29.48 O ATOM 78 H GLU A 305 55.200 62.622 46.160 1.00 0.00 H ATOM 79 N ASP A 306 51.616 60.745 47.708 1.00 18.90 N ATOM 80 CA ASP A 306 50.502 59.943 47.212 1.00 18.74 C ATOM 81 C ASP A 306 49.595 60.769 46.311 1.00 16.18 C ATOM 82 O ASP A 306 49.293 61.923 46.611 1.00 18.44 O ATOM 83 CB ASP A 306 49.683 59.370 48.371 1.00 26.11 C ATOM 84 CG ASP A 306 50.474 58.388 49.221 1.00 38.21 C ATOM 85 OD1 ASP A 306 51.414 57.753 48.694 1.00 25.67 O ATOM 86 OD2 ASP A 306 50.152 58.249 50.420 1.00 39.61 O ATOM 87 H ASP A 306 51.745 60.865 48.733 1.00 0.00 H ATOM 88 N ILE A 307 49.155 60.166 45.213 1.00 10.97 N ATOM 89 CA ILE A 307 48.152 60.785 44.355 1.00 10.75 C ATOM 90 C ILE A 307 46.791 60.619 45.039 1.00 14.75 C ATOM 91 O ILE A 307 46.441 59.504 45.421 1.00 13.31 O ATOM 92 CB ILE A 307 48.151 60.165 42.957 1.00 15.64 C ATOM 93 CG1 ILE A 307 49.496 60.420 42.273 1.00 19.01 C ATOM 94 CG2 ILE A 307 47.009 60.729 42.122 1.00 12.51 C ATOM 95 CD1 ILE A 307 49.687 59.627 41.008 1.00 19.77 C ATOM 96 H ILE A 307 49.534 59.231 44.959 1.00 0.00 H ATOM 97 N PRO A 308 46.034 61.721 45.218 1.00 13.92 N ATOM 98 CA PRO A 308 44.703 61.645 45.844 1.00 11.63 C ATOM 99 C PRO A 308 43.736 60.696 45.138 1.00 9.95 C ATOM 100 O PRO A 308 43.637 60.703 43.911 1.00 11.44 O ATOM 101 CB PRO A 308 44.195 63.081 45.759 1.00 14.13 C ATOM 102 CG PRO A 308 45.434 63.909 45.742 1.00 16.61 C ATOM 103 CD PRO A 308 46.412 63.120 44.933 1.00 15.52 C ATOM 104 N ARG A 309 43.033 59.892 45.938 1.00 10.28 N ATOM 105 CA ARG A 309 42.162 58.847 45.409 1.00 9.93 C ATOM 106 C ARG A 309 40.677 59.186 45.590 1.00 11.66 C ATOM 107 O ARG A 309 39.809 58.443 45.142 1.00 9.97 O ATOM 108 CB ARG A 309 42.513 57.509 46.066 1.00 12.06 C ATOM 109 CG ARG A 309 43.786 56.882 45.456 1.00 10.95 C ATOM 110 CD ARG A 309 44.231 55.672 46.217 1.00 14.75 C ATOM 111 NE ARG A 309 45.452 55.088 45.655 1.00 19.47 N ATOM 112 CZ ARG A 309 45.482 54.087 44.778 1.00 19.07 C ATOM 113 NH1 ARG A 309 44.354 53.532 44.342 1.00 12.24 N ATOM 114 NH2 ARG A 309 46.651 53.618 44.354 1.00 13.40 N ATOM 115 HE ARG A 309 46.362 55.485 45.964 1.00 0.00 H ATOM 116 HH12 ARG A 309 44.390 52.750 43.657 1.00 0.00 H ATOM 117 HH11 ARG A 309 43.436 53.880 44.686 1.00 0.00 H ATOM 118 HH22 ARG A 309 46.680 52.836 43.669 1.00 0.00 H ATOM 119 HH21 ARG A 309 47.537 54.033 44.707 1.00 0.00 H ATOM 120 H ARG A 309 43.108 60.013 46.968 1.00 0.00 H ATOM 121 N GLU A 310 40.385 60.332 46.195 1.00 10.63 N ATOM 122 CA GLU A 310 38.993 60.768 46.324 1.00 10.97 C ATOM 123 C GLU A 310 38.483 61.402 45.021 1.00 10.32 C ATOM 124 O GLU A 310 39.266 61.915 44.230 1.00 11.28 O ATOM 125 CB GLU A 310 38.829 61.767 47.470 1.00 16.35 C ATOM 126 CG GLU A 310 39.969 62.741 47.646 1.00 41.15 C ATOM 127 CD GLU A 310 41.046 62.191 48.562 1.00 51.35 C ATOM 128 OE1 GLU A 310 42.159 61.935 48.071 1.00 32.76 O ATOM 129 OE2 GLU A 310 40.781 62.002 49.768 1.00 64.58 O ATOM 130 H GLU A 310 41.150 60.923 46.579 1.00 0.00 H ATOM 131 N PRO A 311 37.155 61.398 44.812 1.00 10.65 N ATOM 132 CA PRO A 311 36.626 62.017 43.590 1.00 10.20 C ATOM 133 C PRO A 311 36.854 63.522 43.552 1.00 10.41 C ATOM 134 O PRO A 311 36.824 64.174 44.608 1.00 12.62 O ATOM 135 CB PRO A 311 35.124 61.715 43.639 1.00 15.14 C ATOM 136 CG PRO A 311 34.947 60.698 44.719 1.00 16.47 C ATOM 137 CD PRO A 311 36.088 60.860 45.668 1.00 13.60 C ATOM 138 N ARG A 312 37.075 64.044 42.352 1.00 9.85 N ATOM 139 CA ARG A 312 37.284 65.468 42.135 1.00 10.11 C ATOM 140 C ARG A 312 36.363 65.975 41.040 1.00 10.61 C ATOM 141 O ARG A 312 35.987 65.222 40.146 1.00 10.68 O ATOM 142 CB ARG A 312 38.730 65.763 41.733 1.00 11.26 C ATOM 143 CG ARG A 312 39.791 65.179 42.643 1.00 11.25 C ATOM 144 CD ARG A 312 40.519 64.019 41.979 1.00 12.97 C ATOM 145 NE ARG A 312 41.046 64.354 40.652 1.00 10.88 N ATOM 146 CZ ARG A 312 41.357 63.448 39.734 1.00 10.67 C ATOM 147 NH1 ARG A 312 41.197 62.153 39.988 1.00 10.41 N ATOM 148 NH2 ARG A 312 41.817 63.829 38.548 1.00 10.94 N ATOM 149 HE ARG A 312 41.184 65.358 40.417 1.00 0.00 H ATOM 150 HH12 ARG A 312 41.442 61.447 39.265 1.00 0.00 H ATOM 151 HH11 ARG A 312 40.826 61.846 40.910 1.00 0.00 H ATOM 152 HH22 ARG A 312 42.060 63.116 37.831 1.00 0.00 H ATOM 153 HH21 ARG A 312 41.935 64.840 38.336 1.00 0.00 H ATOM 154 H ARG A 312 37.100 63.407 41.530 1.00 0.00 H ATOM 155 N ARG A 313 36.028 67.259 41.107 1.00 11.64 N ATOM 156 CA ARG A 313 35.313 67.923 40.027 1.00 11.71 C ATOM 157 C ARG A 313 36.293 68.732 39.191 1.00 11.23 C ATOM 158 O ARG A 313 37.085 69.520 39.727 1.00 13.77 O ATOM 159 CB ARG A 313 34.209 68.829 40.573 1.00 12.98 C ATOM 160 CG ARG A 313 33.387 69.521 39.475 1.00 17.26 C ATOM 161 CD ARG A 313 32.424 70.555 40.042 1.00 15.46 C ATOM 162 NE ARG A 313 31.448 69.951 40.941 1.00 17.00 N ATOM 163 CZ ARG A 313 31.494 70.010 42.270 1.00 28.24 C ATOM 164 NH1 ARG A 313 32.466 70.668 42.901 1.00 28.08 N ATOM 165 NH2 ARG A 313 30.547 69.413 42.978 1.00 26.27 N ATOM 166 HE ARG A 313 30.655 69.434 40.511 1.00 0.00 H ATOM 167 HH12 ARG A 313 32.482 70.701 43.940 1.00 0.00 H ATOM 168 HH11 ARG A 313 33.209 71.149 42.354 1.00 0.00 H ATOM 169 HH22 ARG A 313 30.572 69.452 44.017 1.00 0.00 H ATOM 170 HH21 ARG A 313 29.779 68.905 42.495 1.00 0.00 H ATOM 171 H ARG A 313 36.284 67.805 41.955 1.00 0.00 H ATOM 172 N ILE A 314 36.219 68.536 37.879 1.00 10.64 N ATOM 173 CA ILE A 314 37.052 69.247 36.912 1.00 10.13 C ATOM 174 C ILE A 314 36.132 69.939 35.933 1.00 11.49 C ATOM 175 O ILE A 314 35.310 69.290 35.294 1.00 12.78 O ATOM 176 CB ILE A 314 38.009 68.295 36.171 1.00 10.13 C ATOM 177 CG1 ILE A 314 38.931 67.564 37.149 1.00 12.42 C ATOM 178 CG2 ILE A 314 38.839 69.062 35.149 1.00 12.40 C ATOM 179 CD1 ILE A 314 38.373 66.233 37.631 1.00 15.88 C ATOM 180 H ILE A 314 35.533 67.841 37.522 1.00 0.00 H ATOM 181 N VAL A 315 36.273 71.251 35.793 1.00 13.20 N ATOM 182 CA VAL A 315 35.478 71.983 34.815 1.00 14.36 C ATOM 183 C VAL A 315 36.399 72.432 33.702 1.00 16.03 C ATOM 184 O VAL A 315 37.359 73.168 33.936 1.00 16.34 O ATOM 185 CB VAL A 315 34.749 73.172 35.440 1.00 16.59 C ATOM 186 CG1 VAL A 315 33.878 73.854 34.386 1.00 18.55 C ATOM 187 CG2 VAL A 315 33.907 72.716 36.623 1.00 16.88 C ATOM 188 H VAL A 315 36.957 71.762 36.387 1.00 0.00 H ATOM 189 N ILE A 316 36.115 71.962 32.494 1.00 14.14 N ATOM 190 CA ILE A 316 36.932 72.302 31.338 1.00 15.48 C ATOM 191 C ILE A 316 36.115 73.149 30.388 1.00 11.72 C ATOM 192 O ILE A 316 35.024 72.765 29.978 1.00 16.35 O ATOM 193 CB ILE A 316 37.457 71.060 30.624 1.00 16.74 C ATOM 194 CG1 ILE A 316 38.443 70.312 31.521 1.00 18.16 C ATOM 195 CG2 ILE A 316 38.146 71.445 29.312 1.00 16.33 C ATOM 196 CD1 ILE A 316 38.821 68.949 31.006 1.00 26.68 C ATOM 197 H ILE A 316 35.292 71.338 32.371 1.00 0.00 H ATOM 198 N HIS A 317 36.670 74.298 30.024 1.00 15.77 N ATOM 199 CA HIS A 317 36.045 75.187 29.060 1.00 18.10 C ATOM 200 C HIS A 317 36.799 75.054 27.748 1.00 20.42 C ATOM 201 O HIS A 317 37.912 75.565 27.610 1.00 25.37 O ATOM 202 CB HIS A 317 36.058 76.627 29.577 1.00 20.59 C ATOM 203 CG HIS A 317 35.665 76.740 31.015 1.00 21.49 C ATOM 204 ND1 HIS A 317 34.354 76.856 31.421 1.00 21.51 N ATOM 205 CD2 HIS A 317 36.410 76.730 32.143 1.00 24.13 C ATOM 206 CE1 HIS A 317 34.309 76.925 32.739 1.00 25.08 C ATOM 207 NE2 HIS A 317 35.543 76.849 33.203 1.00 30.46 N ATOM 208 H HIS A 317 37.582 74.571 30.442 1.00 0.00 H ATOM 209 N ARG A 318 36.201 74.347 26.795 1.00 17.08 N ATOM 210 CA ARG A 318 36.894 74.008 25.555 1.00 12.89 C ATOM 211 C ARG A 318 36.203 74.498 24.291 1.00 14.24 C ATOM 212 O ARG A 318 36.618 74.136 23.186 1.00 19.18 O ATOM 213 CB ARG A 318 37.092 72.491 25.459 1.00 13.91 C ATOM 214 CG ARG A 318 35.846 71.626 25.675 1.00 18.39 C ATOM 215 CD ARG A 318 34.873 71.631 24.499 1.00 15.21 C ATOM 216 NE ARG A 318 33.795 70.653 24.692 1.00 15.86 N ATOM 217 CZ ARG A 318 33.806 69.391 24.257 1.00 16.80 C ATOM 218 NH1 ARG A 318 34.837 68.904 23.578 1.00 13.99 N ATOM 219 NH2 ARG A 318 32.766 68.600 24.511 1.00 14.04 N ATOM 220 HE ARG A 318 32.952 70.970 25.211 1.00 0.00 H ATOM 221 HH12 ARG A 318 34.824 67.918 23.249 1.00 0.00 H ATOM 222 HH11 ARG A 318 35.658 69.509 23.375 1.00 0.00 H ATOM 223 HH22 ARG A 318 32.767 67.616 24.175 1.00 0.00 H ATOM 224 HH21 ARG A 318 31.952 68.966 25.045 1.00 0.00 H ATOM 225 H ARG A 318 35.221 74.029 26.935 1.00 0.00 H ATOM 226 N GLY A 319 35.170 75.317 24.431 1.00 14.87 N ATOM 227 CA GLY A 319 34.495 75.846 23.252 1.00 16.02 C ATOM 228 C GLY A 319 34.073 74.735 22.311 1.00 21.02 C ATOM 229 O GLY A 319 33.384 73.809 22.730 1.00 16.24 O ATOM 230 H GLY A 319 34.841 75.582 25.381 1.00 0.00 H ATOM 231 N SER A 320 34.485 74.820 21.043 1.00 16.27 N ATOM 232 CA SER A 320 34.163 73.778 20.072 1.00 16.25 C ATOM 233 C SER A 320 35.408 73.066 19.552 1.00 15.55 C ATOM 234 O SER A 320 35.576 72.878 18.346 1.00 16.14 O ATOM 235 CB SER A 320 33.370 74.364 18.908 1.00 17.74 C ATOM 236 OG SER A 320 32.110 74.820 19.351 1.00 18.48 O ATOM 237 HG SER A 320 31.604 74.062 19.738 1.00 0.00 H ATOM 238 H SER A 320 35.045 75.643 20.742 1.00 0.00 H ATOM 239 N THR A 321 36.254 72.656 20.492 1.00 14.43 N ATOM 240 CA THR A 321 37.453 71.886 20.200 1.00 14.56 C ATOM 241 C THR A 321 37.418 70.595 21.017 1.00 13.29 C ATOM 242 O THR A 321 36.657 70.500 21.979 1.00 14.68 O ATOM 243 CB THR A 321 38.729 72.691 20.530 1.00 18.69 C ATOM 244 OG1 THR A 321 38.846 72.856 21.949 1.00 21.81 O ATOM 245 CG2 THR A 321 38.676 74.072 19.878 1.00 14.93 C ATOM 246 HG1 THR A 321 38.054 73.343 22.290 1.00 0.00 H ATOM 247 H THR A 321 36.049 72.897 21.483 1.00 0.00 H ATOM 248 N GLY A 322 38.234 69.607 20.646 1.00 14.28 N ATOM 249 CA GLY A 322 38.293 68.364 21.386 1.00 11.75 C ATOM 250 C GLY A 322 38.793 68.581 22.803 1.00 14.55 C ATOM 251 O GLY A 322 39.460 69.570 23.094 1.00 12.96 O ATOM 252 H GLY A 322 38.839 69.732 19.809 1.00 0.00 H ATOM 253 N LEU A 323 38.465 67.655 23.694 1.00 9.86 N ATOM 254 CA LEU A 323 38.907 67.735 25.080 1.00 10.11 C ATOM 255 C LEU A 323 40.392 67.448 25.226 1.00 8.82 C ATOM 256 O LEU A 323 41.023 67.932 26.154 1.00 12.21 O ATOM 257 CB LEU A 323 38.115 66.759 25.952 1.00 11.72 C ATOM 258 CG LEU A 323 36.683 67.206 26.229 1.00 10.68 C ATOM 259 CD1 LEU A 323 35.793 66.014 26.571 1.00 17.76 C ATOM 260 CD2 LEU A 323 36.691 68.219 27.357 1.00 15.80 C ATOM 261 H LEU A 323 37.877 66.851 23.396 1.00 0.00 H ATOM 262 N GLY A 324 40.934 66.640 24.324 1.00 9.61 N ATOM 263 CA GLY A 324 42.352 66.335 24.350 1.00 9.33 C ATOM 264 C GLY A 324 42.738 65.195 25.269 1.00 8.26 C ATOM 265 O GLY A 324 43.767 65.242 25.951 1.00 7.84 O ATOM 266 H GLY A 324 40.333 66.219 23.587 1.00 0.00 H ATOM 267 N PHE A 325 41.912 64.160 25.312 1.00 8.46 N ATOM 268 CA PHE A 325 42.346 62.912 25.932 1.00 7.58 C ATOM 269 C PHE A 325 41.700 61.691 25.284 1.00 9.22 C ATOM 270 O PHE A 325 40.741 61.804 24.514 1.00 8.68 O ATOM 271 CB PHE A 325 42.103 62.923 27.450 1.00 8.26 C ATOM 272 CG PHE A 325 40.656 63.022 27.883 1.00 7.50 C ATOM 273 CD1 PHE A 325 39.882 61.886 28.039 1.00 8.07 C ATOM 274 CD2 PHE A 325 40.108 64.241 28.239 1.00 9.01 C ATOM 275 CE1 PHE A 325 38.570 61.978 28.490 1.00 11.52 C ATOM 276 CE2 PHE A 325 38.803 64.334 28.688 1.00 12.55 C ATOM 277 CZ PHE A 325 38.038 63.201 28.822 1.00 12.44 C ATOM 278 H PHE A 325 40.958 64.237 24.905 1.00 0.00 H ATOM 279 N ASN A 326 42.283 60.529 25.574 1.00 7.60 N ATOM 280 CA ASN A 326 41.763 59.241 25.122 1.00 7.90 C ATOM 281 C ASN A 326 40.999 58.553 26.223 1.00 7.69 C ATOM 282 O ASN A 326 41.306 58.730 27.404 1.00 10.68 O ATOM 283 CB ASN A 326 42.878 58.297 24.700 1.00 8.21 C ATOM 284 CG ASN A 326 43.519 58.683 23.402 1.00 8.78 C ATOM 285 OD1 ASN A 326 43.372 59.799 22.917 1.00 9.49 O ATOM 286 ND2 ASN A 326 44.236 57.740 22.821 1.00 21.08 N ATOM 287 HD22 ASN A 326 44.332 56.808 23.272 1.00 0.00 H ATOM 288 HD21 ASN A 326 44.705 57.929 21.912 1.00 0.00 H ATOM 289 H ASN A 326 43.149 60.539 26.149 1.00 0.00 H ATOM 290 N ILE A 327 40.029 57.737 25.833 1.00 8.01 N ATOM 291 CA ILE A 327 39.363 56.861 26.791 1.00 7.95 C ATOM 292 C ILE A 327 39.499 55.411 26.380 1.00 8.47 C ATOM 293 O ILE A 327 39.542 55.080 25.190 1.00 9.06 O ATOM 294 CB ILE A 327 37.861 57.189 26.981 1.00 9.09 C ATOM 295 CG1 ILE A 327 37.099 57.174 25.651 1.00 11.10 C ATOM 296 CG2 ILE A 327 37.688 58.527 27.683 1.00 10.58 C ATOM 297 CD1 ILE A 327 35.594 57.071 25.838 1.00 13.84 C ATOM 298 H ILE A 327 39.740 57.721 24.834 1.00 0.00 H ATOM 299 N VAL A 328 39.587 54.558 27.398 1.00 8.39 N ATOM 300 CA VAL A 328 39.517 53.115 27.254 1.00 9.02 C ATOM 301 C VAL A 328 38.442 52.620 28.208 1.00 9.12 C ATOM 302 O VAL A 328 38.066 53.322 29.152 1.00 8.64 O ATOM 303 CB VAL A 328 40.871 52.441 27.549 1.00 12.21 C ATOM 304 CG1 VAL A 328 41.877 52.799 26.478 1.00 9.25 C ATOM 305 CG2 VAL A 328 41.372 52.822 28.956 1.00 9.82 C ATOM 306 H VAL A 328 39.713 54.948 28.354 1.00 0.00 H ATOM 307 N GLY A 329 37.943 51.413 27.959 1.00 11.24 N ATOM 308 CA GLY A 329 36.962 50.808 28.837 1.00 11.36 C ATOM 309 C GLY A 329 35.556 50.851 28.287 1.00 14.14 C ATOM 310 O GLY A 329 35.339 51.196 27.127 1.00 16.10 O ATOM 311 H GLY A 329 38.263 50.893 27.117 1.00 0.00 H ATOM 312 N GLY A 330 34.600 50.485 29.138 1.00 16.08 N ATOM 313 CA GLY A 330 33.191 50.498 28.786 1.00 15.42 C ATOM 314 C GLY A 330 32.655 49.116 28.470 1.00 20.94 C ATOM 315 O GLY A 330 31.438 48.884 28.457 1.00 16.59 O ATOM 316 H GLY A 330 34.873 50.177 30.093 1.00 0.00 H ATOM 317 N GLU A 331 33.574 48.189 28.223 1.00 18.77 N ATOM 318 CA GLU A 331 33.214 46.844 27.803 1.00 34.59 C ATOM 319 C GLU A 331 33.270 45.972 29.045 1.00 60.00 C ATOM 320 O GLU A 331 34.337 45.795 29.629 1.00 82.14 O ATOM 321 CB GLU A 331 34.161 46.325 26.717 1.00 34.30 C ATOM 322 CG GLU A 331 34.217 47.197 25.471 1.00 59.57 C ATOM 323 CD GLU A 331 35.497 47.003 24.687 1.00 87.35 C ATOM 324 OE1 GLU A 331 35.729 45.881 24.188 1.00101.39 O ATOM 325 OE2 GLU A 331 36.275 47.972 24.577 1.00 95.80 O ATOM 326 H GLU A 331 34.579 48.432 28.333 1.00 0.00 H ATOM 327 N ASP A 332 32.125 45.438 29.449 1.00 56.10 N ATOM 328 CA ASP A 332 32.029 44.717 30.707 1.00 54.80 C ATOM 329 C ASP A 332 31.613 45.610 31.870 1.00 49.60 C ATOM 330 O ASP A 332 31.611 45.182 33.016 1.00 35.35 O ATOM 331 CB ASP A 332 33.375 44.079 31.032 1.00 44.87 C ATOM 332 H ASP A 332 31.278 45.537 28.853 1.00 0.00 H ATOM 333 N GLY A 333 31.278 46.860 31.587 1.00 68.72 N ATOM 334 CA GLY A 333 30.899 47.775 32.647 1.00 75.72 C ATOM 335 C GLY A 333 32.069 47.946 33.603 1.00 55.35 C ATOM 336 O GLY A 333 31.898 48.183 34.791 1.00 41.86 O ATOM 337 H GLY A 333 31.287 47.187 30.600 1.00 0.00 H ATOM 338 N GLU A 334 33.268 47.815 33.056 1.00 47.13 N ATOM 339 CA GLU A 334 34.504 48.028 33.799 1.00 39.97 C ATOM 340 C GLU A 334 34.651 49.481 34.273 1.00 30.03 C ATOM 341 O GLU A 334 35.275 49.747 35.295 1.00 24.70 O ATOM 342 CB GLU A 334 35.711 47.602 32.968 1.00 42.60 C ATOM 343 CG GLU A 334 35.785 48.248 31.602 1.00 34.38 C ATOM 344 CD GLU A 334 36.368 47.321 30.559 1.00 31.11 C ATOM 345 OE1 GLU A 334 36.899 46.260 30.945 1.00 35.08 O ATOM 346 OE2 GLU A 334 36.299 47.650 29.358 1.00 17.37 O ATOM 347 H GLU A 334 33.330 47.549 32.053 1.00 0.00 H ATOM 348 N GLY A 335 34.106 50.404 33.494 1.00 16.60 N ATOM 349 CA GLY A 335 34.287 51.827 33.720 1.00 16.89 C ATOM 350 C GLY A 335 35.024 52.454 32.545 1.00 13.78 C ATOM 351 O GLY A 335 35.580 51.752 31.713 1.00 11.78 O ATOM 352 H GLY A 335 33.525 50.097 32.688 1.00 0.00 H ATOM 353 N ILE A 336 35.016 53.781 32.497 1.00 8.85 N ATOM 354 CA ILE A 336 35.654 54.572 31.448 1.00 8.45 C ATOM 355 C ILE A 336 36.875 55.244 32.042 1.00 7.92 C ATOM 356 O ILE A 336 36.743 55.981 33.021 1.00 8.93 O ATOM 357 CB ILE A 336 34.681 55.628 30.888 1.00 8.59 C ATOM 358 CG1 ILE A 336 33.371 54.978 30.420 1.00 9.87 C ATOM 359 CG2 ILE A 336 35.343 56.468 29.789 1.00 9.94 C ATOM 360 CD1 ILE A 336 33.528 53.995 29.275 1.00 10.14 C ATOM 361 H ILE A 336 34.522 54.291 33.257 1.00 0.00 H ATOM 362 N PHE A 337 38.046 55.004 31.458 1.00 7.62 N ATOM 363 CA PHE A 337 39.317 55.503 32.006 1.00 7.17 C ATOM 364 C PHE A 337 40.079 56.340 30.998 1.00 7.09 C ATOM 365 O PHE A 337 40.024 56.080 29.790 1.00 7.25 O ATOM 366 CB PHE A 337 40.217 54.342 32.448 1.00 7.37 C ATOM 367 CG PHE A 337 39.627 53.506 33.532 1.00 7.68 C ATOM 368 CD1 PHE A 337 38.705 52.512 33.239 1.00 8.75 C ATOM 369 CD2 PHE A 337 39.988 53.712 34.851 1.00 11.09 C ATOM 370 CE1 PHE A 337 38.160 51.742 34.242 1.00 15.84 C ATOM 371 CE2 PHE A 337 39.441 52.937 35.860 1.00 13.72 C ATOM 372 CZ PHE A 337 38.525 51.965 35.557 1.00 14.94 C ATOM 373 H PHE A 337 38.064 54.443 30.582 1.00 0.00 H ATOM 374 N ILE A 338 40.800 57.335 31.499 1.00 6.61 N ATOM 375 CA ILE A 338 41.693 58.127 30.675 1.00 6.52 C ATOM 376 C ILE A 338 42.973 57.334 30.453 1.00 8.53 C ATOM 377 O ILE A 338 43.636 56.943 31.412 1.00 7.84 O ATOM 378 CB ILE A 338 41.991 59.494 31.316 1.00 6.86 C ATOM 379 CG1 ILE A 338 40.690 60.288 31.520 1.00 13.72 C ATOM 380 CG2 ILE A 338 42.991 60.273 30.455 1.00 7.94 C ATOM 381 CD1 ILE A 338 40.900 61.692 32.127 1.00 12.73 C ATOM 382 H ILE A 338 40.722 57.553 32.513 1.00 0.00 H ATOM 383 N SER A 339 43.326 57.115 29.188 1.00 6.97 N ATOM 384 CA SER A 339 44.551 56.398 28.843 1.00 7.74 C ATOM 385 C SER A 339 45.693 57.285 28.332 1.00 8.33 C ATOM 386 O SER A 339 46.818 56.809 28.140 1.00 8.96 O ATOM 387 CB SER A 339 44.248 55.378 27.770 1.00 11.41 C ATOM 388 OG SER A 339 43.714 56.057 26.644 1.00 11.29 O ATOM 389 HG SER A 339 43.510 55.401 25.931 1.00 0.00 H ATOM 390 H SER A 339 42.712 57.464 28.424 1.00 0.00 H ATOM 391 N PHE A 340 45.398 58.555 28.077 1.00 8.17 N ATOM 392 CA PHE A 340 46.332 59.452 27.396 1.00 7.43 C ATOM 393 C PHE A 340 45.802 60.872 27.472 1.00 8.79 C ATOM 394 O PHE A 340 44.615 61.102 27.227 1.00 8.60 O ATOM 395 CB PHE A 340 46.514 59.024 25.932 1.00 9.57 C ATOM 396 CG PHE A 340 47.403 59.931 25.105 1.00 8.43 C ATOM 397 CD1 PHE A 340 46.895 61.085 24.524 1.00 9.29 C ATOM 398 CD2 PHE A 340 48.721 59.593 24.847 1.00 11.64 C ATOM 399 CE1 PHE A 340 47.695 61.902 23.744 1.00 10.90 C ATOM 400 CE2 PHE A 340 49.526 60.408 24.067 1.00 10.23 C ATOM 401 CZ PHE A 340 49.003 61.565 23.511 1.00 9.51 C ATOM 402 H PHE A 340 44.471 58.924 28.372 1.00 0.00 H ATOM 403 N ILE A 341 46.677 61.808 27.833 1.00 7.28 N ATOM 404 CA ILE A 341 46.362 63.236 27.822 1.00 7.30 C ATOM 405 C ILE A 341 47.208 63.911 26.750 1.00 7.86 C ATOM 406 O ILE A 341 48.432 63.791 26.754 1.00 8.17 O ATOM 407 CB ILE A 341 46.616 63.899 29.197 1.00 9.09 C ATOM 408 CG1 ILE A 341 45.900 63.140 30.330 1.00 10.04 C ATOM 409 CG2 ILE A 341 46.221 65.378 29.158 1.00 7.78 C ATOM 410 CD1 ILE A 341 44.499 63.634 30.664 1.00 14.22 C ATOM 411 H ILE A 341 47.626 61.511 28.136 1.00 0.00 H ATOM 412 N LEU A 342 46.558 64.629 25.836 1.00 8.12 N ATOM 413 CA LEU A 342 47.256 65.302 24.751 1.00 8.78 C ATOM 414 C LEU A 342 47.969 66.553 25.235 1.00 9.06 C ATOM 415 O LEU A 342 47.368 67.405 25.870 1.00 8.94 O ATOM 416 CB LEU A 342 46.259 65.671 23.644 1.00 9.12 C ATOM 417 CG LEU A 342 46.792 66.444 22.442 1.00 11.95 C ATOM 418 CD1 LEU A 342 47.761 65.596 21.638 1.00 13.10 C ATOM 419 CD2 LEU A 342 45.630 66.912 21.584 1.00 16.13 C ATOM 420 H LEU A 342 45.523 64.711 25.899 1.00 0.00 H ATOM 421 N ALA A 343 49.253 66.669 24.919 1.00 9.60 N ATOM 422 CA ALA A 343 49.999 67.869 25.255 1.00 10.09 C ATOM 423 C ALA A 343 49.336 69.092 24.625 1.00 10.57 C ATOM 424 O ALA A 343 49.122 69.131 23.407 1.00 10.97 O ATOM 425 CB ALA A 343 51.454 67.745 24.789 1.00 12.20 C ATOM 426 H ALA A 343 49.732 65.890 24.424 1.00 0.00 H ATOM 427 N GLY A 344 49.029 70.092 25.450 1.00 11.87 N ATOM 428 CA GLY A 344 48.533 71.363 24.944 1.00 12.55 C ATOM 429 C GLY A 344 47.034 71.439 24.739 1.00 12.50 C ATOM 430 O GLY A 344 46.504 72.503 24.385 1.00 15.61 O ATOM 431 H GLY A 344 49.146 69.962 26.475 1.00 0.00 H ATOM 432 N GLY A 345 46.346 70.320 24.947 1.00 10.18 N ATOM 433 CA GLY A 345 44.908 70.261 24.772 1.00 11.17 C ATOM 434 C GLY A 345 44.182 70.781 26.001 1.00 12.28 C ATOM 435 O GLY A 345 44.804 71.039 27.023 1.00 10.36 O ATOM 436 H GLY A 345 46.854 69.463 25.244 1.00 0.00 H ATOM 437 N PRO A 346 42.859 70.961 25.904 1.00 10.50 N ATOM 438 CA PRO A 346 42.131 71.525 27.047 1.00 13.73 C ATOM 439 C PRO A 346 42.291 70.714 28.335 1.00 12.22 C ATOM 440 O PRO A 346 42.438 71.316 29.402 1.00 14.30 O ATOM 441 CB PRO A 346 40.678 71.537 26.550 1.00 15.12 C ATOM 442 CG PRO A 346 40.818 71.705 25.066 1.00 12.95 C ATOM 443 CD PRO A 346 42.002 70.843 24.712 1.00 13.02 C ATOM 444 N ALA A 347 42.282 69.386 28.257 1.00 8.58 N ATOM 445 CA ALA A 347 42.450 68.576 29.466 1.00 8.03 C ATOM 446 C ALA A 347 43.830 68.790 30.095 1.00 12.85 C ATOM 447 O ALA A 347 43.960 68.858 31.325 1.00 11.82 O ATOM 448 CB ALA A 347 42.223 67.108 29.166 1.00 10.37 C ATOM 449 H ALA A 347 42.155 68.922 27.335 1.00 0.00 H ATOM 450 N ASP A 348 44.861 68.894 29.263 1.00 9.61 N ATOM 451 CA ASP A 348 46.203 69.198 29.753 1.00 9.22 C ATOM 452 C ASP A 348 46.214 70.547 30.450 1.00 9.23 C ATOM 453 O ASP A 348 46.725 70.676 31.567 1.00 12.89 O ATOM 454 CB ASP A 348 47.212 69.191 28.605 1.00 8.88 C ATOM 455 CG ASP A 348 48.643 69.480 29.064 1.00 11.09 C ATOM 456 OD1 ASP A 348 48.954 69.287 30.264 1.00 11.94 O ATOM 457 OD2 ASP A 348 49.466 69.894 28.216 1.00 12.69 O ATOM 458 H ASP A 348 44.709 68.756 28.243 1.00 0.00 H ATOM 459 N LEU A 349 45.633 71.546 29.799 1.00 11.76 N ATOM 460 CA LEU A 349 45.676 72.910 30.325 1.00 14.27 C ATOM 461 C LEU A 349 44.956 73.012 31.678 1.00 16.56 C ATOM 462 O LEU A 349 45.295 73.873 32.493 1.00 22.67 O ATOM 463 CB LEU A 349 45.064 73.890 29.318 1.00 16.07 C ATOM 464 CG LEU A 349 45.759 74.081 27.960 1.00 30.50 C ATOM 465 CD1 LEU A 349 45.496 75.476 27.415 1.00 31.76 C ATOM 466 CD2 LEU A 349 47.243 73.840 28.027 1.00 23.65 C ATOM 467 H LEU A 349 45.140 71.357 28.903 1.00 0.00 H ATOM 468 N SER A 350 43.988 72.133 31.928 1.00 18.56 N ATOM 469 CA SER A 350 43.281 72.121 33.215 1.00 18.52 C ATOM 470 C SER A 350 44.221 71.742 34.356 1.00 19.79 C ATOM 471 O SER A 350 44.066 72.216 35.484 1.00 17.81 O ATOM 472 CB SER A 350 42.094 71.151 33.185 1.00 13.70 C ATOM 473 OG SER A 350 42.477 69.824 33.518 1.00 21.16 O ATOM 474 HG SER A 350 43.153 69.504 32.869 1.00 0.00 H ATOM 475 H SER A 350 43.727 71.441 31.197 1.00 0.00 H ATOM 476 N GLY A 351 45.187 70.880 34.058 1.00 15.06 N ATOM 477 CA GLY A 351 46.135 70.402 35.046 1.00 21.18 C ATOM 478 C GLY A 351 45.531 69.477 36.088 1.00 16.08 C ATOM 479 O GLY A 351 46.178 69.170 37.090 1.00 23.92 O ATOM 480 H GLY A 351 45.266 70.535 33.080 1.00 0.00 H ATOM 481 N GLU A 352 44.313 68.995 35.844 1.00 12.96 N ATOM 482 CA GLU A 352 43.550 68.322 36.884 1.00 13.48 C ATOM 483 C GLU A 352 43.083 66.912 36.509 1.00 13.15 C ATOM 484 O GLU A 352 42.304 66.300 37.245 1.00 16.12 O ATOM 485 CB GLU A 352 42.335 69.168 37.250 1.00 17.13 C ATOM 486 CG GLU A 352 42.692 70.519 37.855 1.00 41.47 C ATOM 487 CD GLU A 352 41.521 71.490 37.869 1.00 55.91 C ATOM 488 OE1 GLU A 352 41.734 72.684 37.570 1.00 79.38 O ATOM 489 OE2 GLU A 352 40.391 71.063 38.186 1.00 34.53 O ATOM 490 H GLU A 352 43.901 69.102 34.895 1.00 0.00 H ATOM 491 N LEU A 353 43.542 66.414 35.366 1.00 10.97 N ATOM 492 CA LEU A 353 43.236 65.053 34.923 1.00 8.07 C ATOM 493 C LEU A 353 44.524 64.322 34.611 1.00 13.38 C ATOM 494 O LEU A 353 45.499 64.939 34.210 1.00 13.71 O ATOM 495 CB LEU A 353 42.352 65.061 33.677 1.00 10.06 C ATOM 496 CG LEU A 353 40.936 65.605 33.845 1.00 9.25 C ATOM 497 CD1 LEU A 353 40.268 65.818 32.502 1.00 13.01 C ATOM 498 CD2 LEU A 353 40.120 64.673 34.703 1.00 10.37 C ATOM 499 H LEU A 353 44.141 67.014 34.764 1.00 0.00 H ATOM 500 N ARG A 354 44.509 63.003 34.750 1.00 7.52 N ATOM 501 CA ARG A 354 45.668 62.201 34.378 1.00 7.82 C ATOM 502 C ARG A 354 45.286 60.806 33.911 1.00 7.65 C ATOM 503 O ARG A 354 44.180 60.322 34.161 1.00 6.24 O ATOM 504 CB ARG A 354 46.647 62.098 35.548 1.00 14.22 C ATOM 505 CG ARG A 354 46.078 61.451 36.788 1.00 14.95 C ATOM 506 CD ARG A 354 47.045 61.606 37.954 1.00 25.80 C ATOM 507 NE ARG A 354 48.390 61.174 37.583 1.00 28.11 N ATOM 508 CZ ARG A 354 49.515 61.783 37.945 1.00 32.88 C ATOM 509 NH1 ARG A 354 50.681 61.299 37.542 1.00 25.43 N ATOM 510 NH2 ARG A 354 49.490 62.868 38.707 1.00 36.19 N ATOM 511 HE ARG A 354 48.474 60.324 36.990 1.00 0.00 H ATOM 512 HH12 ARG A 354 51.565 61.771 37.822 1.00 0.00 H ATOM 513 HH11 ARG A 354 50.712 60.447 36.946 1.00 0.00 H ATOM 514 HH22 ARG A 354 50.380 63.332 38.981 1.00 0.00 H ATOM 515 HH21 ARG A 354 48.581 63.255 39.031 1.00 0.00 H ATOM 516 H ARG A 354 43.661 62.536 35.129 1.00 0.00 H ATOM 517 N LYS A 355 46.220 60.163 33.218 1.00 7.92 N ATOM 518 CA LYS A 355 46.061 58.768 32.855 1.00 7.97 C ATOM 519 C LYS A 355 45.794 57.959 34.113 1.00 6.63 C ATOM 520 O LYS A 355 46.496 58.105 35.111 1.00 8.38 O ATOM 521 CB LYS A 355 47.303 58.239 32.142 1.00 9.74 C ATOM 522 CG LYS A 355 47.172 56.796 31.692 1.00 10.07 C ATOM 523 CD LYS A 355 48.420 56.297 30.987 1.00 11.16 C ATOM 524 CE LYS A 355 49.562 56.045 31.962 1.00 8.13 C ATOM 525 NZ LYS A 355 50.746 55.486 31.254 1.00 12.55 N ATOM 526 HZ1 LYS A 355 50.485 54.587 30.802 1.00 0.00 H ATOM 527 HZ2 LYS A 355 51.065 56.160 30.529 1.00 0.00 H ATOM 528 HZ3 LYS A 355 51.512 55.322 31.938 1.00 0.00 H ATOM 529 H LYS A 355 47.081 60.670 32.931 1.00 0.00 H ATOM 530 N GLY A 356 44.768 57.121 34.057 1.00 7.21 N ATOM 531 CA GLY A 356 44.385 56.291 35.188 1.00 7.82 C ATOM 532 C GLY A 356 43.176 56.802 35.945 1.00 6.68 C ATOM 533 O GLY A 356 42.601 56.084 36.773 1.00 7.19 O ATOM 534 H GLY A 356 44.219 57.055 33.176 1.00 0.00 H ATOM 535 N ASP A 357 42.775 58.033 35.647 1.00 6.45 N ATOM 536 CA ASP A 357 41.526 58.567 36.162 1.00 6.48 C ATOM 537 C ASP A 357 40.344 57.840 35.535 1.00 10.20 C ATOM 538 O ASP A 357 40.296 57.651 34.314 1.00 9.01 O ATOM 539 CB ASP A 357 41.383 60.058 35.863 1.00 6.37 C ATOM 540 CG ASP A 357 42.129 60.952 36.840 1.00 6.51 C ATOM 541 OD1 ASP A 357 42.383 60.537 37.985 1.00 7.47 O ATOM 542 OD2 ASP A 357 42.433 62.098 36.456 1.00 9.19 O ATOM 543 H ASP A 357 43.368 58.627 35.032 1.00 0.00 H ATOM 544 N GLN A 358 39.393 57.438 36.370 1.00 6.87 N ATOM 545 CA GLN A 358 38.085 57.003 35.887 1.00 7.13 C ATOM 546 C GLN A 358 37.178 58.203 35.767 1.00 7.19 C ATOM 547 O GLN A 358 37.128 59.038 36.669 1.00 8.53 O ATOM 548 CB GLN A 358 37.441 55.968 36.821 1.00 7.62 C ATOM 549 CG GLN A 358 36.163 55.383 36.238 1.00 10.71 C ATOM 550 CD GLN A 358 35.491 54.370 37.146 1.00 11.37 C ATOM 551 OE1 GLN A 358 36.006 54.014 38.214 1.00 12.51 O ATOM 552 NE2 GLN A 358 34.324 53.892 36.719 1.00 11.87 N ATOM 553 HE22 GLN A 358 33.928 54.219 35.815 1.00 0.00 H ATOM 554 HE21 GLN A 358 33.809 53.192 37.290 1.00 0.00 H ATOM 555 H GLN A 358 39.584 57.433 37.392 1.00 0.00 H ATOM 556 N ILE A 359 36.457 58.282 34.652 1.00 9.45 N ATOM 557 CA ILE A 359 35.442 59.303 34.454 1.00 7.57 C ATOM 558 C ILE A 359 34.138 58.805 35.072 1.00 8.57 C ATOM 559 O ILE A 359 33.514 57.887 34.542 1.00 9.06 O ATOM 560 CB ILE A 359 35.258 59.629 32.960 1.00 7.59 C ATOM 561 CG1 ILE A 359 36.604 59.950 32.293 1.00 10.75 C ATOM 562 CG2 ILE A 359 34.288 60.782 32.781 1.00 8.68 C ATOM 563 CD1 ILE A 359 37.356 61.088 32.917 1.00 16.49 C ATOM 564 H ILE A 359 36.626 57.589 33.895 1.00 0.00 H ATOM 565 N LEU A 360 33.739 59.392 36.199 1.00 8.46 N ATOM 566 CA LEU A 360 32.535 58.953 36.894 1.00 9.19 C ATOM 567 C LEU A 360 31.293 59.555 36.252 1.00 9.77 C ATOM 568 O LEU A 360 30.261 58.893 36.162 1.00 10.77 O ATOM 569 CB LEU A 360 32.582 59.323 38.378 1.00 10.26 C ATOM 570 CG LEU A 360 33.784 58.792 39.160 1.00 11.85 C ATOM 571 CD1 LEU A 360 33.619 59.118 40.639 1.00 14.38 C ATOM 572 CD2 LEU A 360 33.972 57.290 38.954 1.00 14.93 C ATOM 573 H LEU A 360 34.297 60.178 36.590 1.00 0.00 H ATOM 574 N SER A 361 31.393 60.809 35.821 1.00 9.68 N ATOM 575 CA SER A 361 30.266 61.481 35.176 1.00 12.95 C ATOM 576 C SER A 361 30.718 62.661 34.334 1.00 14.73 C ATOM 577 O SER A 361 31.804 63.203 34.537 1.00 11.70 O ATOM 578 CB SER A 361 29.264 61.965 36.218 1.00 11.74 C ATOM 579 OG SER A 361 29.854 62.937 37.061 1.00 13.73 O ATOM 580 HG SER A 361 30.150 63.709 36.516 1.00 0.00 H ATOM 581 H SER A 361 32.290 61.321 35.945 1.00 0.00 H ATOM 582 N VAL A 362 29.889 63.039 33.366 1.00 10.68 N ATOM 583 CA VAL A 362 30.115 64.253 32.597 1.00 12.28 C ATOM 584 C VAL A 362 28.815 65.042 32.588 1.00 14.01 C ATOM 585 O VAL A 362 27.773 64.525 32.197 1.00 12.54 O ATOM 586 CB VAL A 362 30.608 63.950 31.159 1.00 15.60 C ATOM 587 CG1 VAL A 362 29.599 63.109 30.396 1.00 12.96 C ATOM 588 CG2 VAL A 362 30.900 65.252 30.409 1.00 18.76 C ATOM 589 H VAL A 362 29.058 62.452 33.153 1.00 0.00 H ATOM 590 N ASN A 363 28.884 66.286 33.051 1.00 13.69 N ATOM 591 CA ASN A 363 27.715 67.155 33.138 1.00 13.68 C ATOM 592 C ASN A 363 26.551 66.453 33.830 1.00 14.43 C ATOM 593 O ASN A 363 25.392 66.587 33.422 1.00 16.65 O ATOM 594 CB ASN A 363 27.306 67.630 31.741 1.00 16.59 C ATOM 595 CG ASN A 363 28.341 68.539 31.121 1.00 18.91 C ATOM 596 OD1 ASN A 363 29.275 68.984 31.791 1.00 19.64 O ATOM 597 ND2 ASN A 363 28.177 68.832 29.837 1.00 19.17 N ATOM 598 HD22 ASN A 363 27.373 68.433 29.311 1.00 0.00 H ATOM 599 HD21 ASN A 363 28.852 69.461 29.357 1.00 0.00 H ATOM 600 H ASN A 363 29.805 66.654 33.363 1.00 0.00 H ATOM 601 N GLY A 364 26.875 65.698 34.876 1.00 14.99 N ATOM 602 CA GLY A 364 25.858 65.053 35.692 1.00 17.95 C ATOM 603 C GLY A 364 25.376 63.721 35.142 1.00 16.97 C ATOM 604 O GLY A 364 24.582 63.025 35.786 1.00 21.14 O ATOM 605 H GLY A 364 27.878 65.566 35.116 1.00 0.00 H ATOM 606 N VAL A 365 25.856 63.363 33.955 1.00 17.44 N ATOM 607 CA VAL A 365 25.514 62.086 33.339 1.00 14.73 C ATOM 608 C VAL A 365 26.480 61.010 33.846 1.00 13.79 C ATOM 609 O VAL A 365 27.677 61.069 33.575 1.00 16.78 O ATOM 610 CB VAL A 365 25.551 62.179 31.800 1.00 16.52 C ATOM 611 CG1 VAL A 365 25.223 60.833 31.171 1.00 21.22 C ATOM 612 CG2 VAL A 365 24.579 63.257 31.297 1.00 18.59 C ATOM 613 H VAL A 365 26.494 64.012 33.451 1.00 0.00 H ATOM 614 N ASP A 366 25.944 60.037 34.580 1.00 16.26 N ATOM 615 CA ASP A 366 26.729 58.962 35.207 1.00 14.97 C ATOM 616 C ASP A 366 27.317 58.009 34.151 1.00 13.15 C ATOM 617 O ASP A 366 26.574 57.405 33.367 1.00 15.22 O ATOM 618 CB ASP A 366 25.815 58.221 36.205 1.00 16.63 C ATOM 619 CG ASP A 366 26.498 57.070 36.942 1.00 18.44 C ATOM 620 OD1 ASP A 366 27.723 56.884 36.850 1.00 15.47 O ATOM 621 OD2 ASP A 366 25.768 56.330 37.636 1.00 24.85 O ATOM 622 H ASP A 366 24.913 60.037 34.718 1.00 0.00 H ATOM 623 N LEU A 367 28.646 57.895 34.111 1.00 11.97 N ATOM 624 CA LEU A 367 29.324 57.038 33.133 1.00 11.10 C ATOM 625 C LEU A 367 29.998 55.830 33.782 1.00 12.13 C ATOM 626 O LEU A 367 30.746 55.104 33.138 1.00 13.40 O ATOM 627 CB LEU A 367 30.374 57.832 32.350 1.00 11.05 C ATOM 628 CG LEU A 367 29.904 59.012 31.497 1.00 14.49 C ATOM 629 CD1 LEU A 367 31.068 59.621 30.734 1.00 15.65 C ATOM 630 CD2 LEU A 367 28.812 58.579 30.534 1.00 11.51 C ATOM 631 H LEU A 367 29.219 58.430 34.794 1.00 0.00 H ATOM 632 N ARG A 368 29.740 55.599 35.058 1.00 13.29 N ATOM 633 CA ARG A 368 30.381 54.475 35.732 1.00 18.06 C ATOM 634 C ARG A 368 30.093 53.163 35.015 1.00 19.00 C ATOM 635 O ARG A 368 30.944 52.283 34.962 1.00 17.22 O ATOM 636 CB ARG A 368 29.928 54.389 37.185 1.00 15.15 C ATOM 637 CG ARG A 368 30.508 55.484 38.067 1.00 11.55 C ATOM 638 CD ARG A 368 29.950 55.408 39.475 1.00 13.90 C ATOM 639 NE ARG A 368 28.506 55.523 39.425 1.00 13.13 N ATOM 640 CZ ARG A 368 27.665 54.921 40.255 1.00 14.07 C ATOM 641 NH1 ARG A 368 28.117 54.172 41.247 1.00 17.67 N ATOM 642 NH2 ARG A 368 26.367 55.085 40.089 1.00 19.58 N ATOM 643 HE ARG A 368 28.098 56.124 38.681 1.00 0.00 H ATOM 644 HH12 ARG A 368 27.448 53.704 41.892 1.00 0.00 H ATOM 645 HH11 ARG A 368 29.141 54.051 41.382 1.00 0.00 H ATOM 646 HH22 ARG A 368 25.697 54.618 40.733 1.00 0.00 H ATOM 647 HH21 ARG A 368 26.013 55.681 39.314 1.00 0.00 H ATOM 648 H ARG A 368 29.084 56.215 35.578 1.00 0.00 H ATOM 649 N ASN A 369 28.900 53.036 34.445 1.00 13.61 N ATOM 650 CA ASN A 369 28.501 51.791 33.801 1.00 13.51 C ATOM 651 C ASN A 369 28.234 51.987 32.311 1.00 13.71 C ATOM 652 O ASN A 369 27.534 51.199 31.676 1.00 15.14 O ATOM 653 CB ASN A 369 27.290 51.221 34.536 1.00 19.85 C ATOM 654 CG ASN A 369 27.625 50.883 35.988 1.00 25.89 C ATOM 655 OD1 ASN A 369 27.223 51.583 36.915 1.00 27.91 O ATOM 656 ND2 ASN A 369 28.415 49.839 36.178 1.00 23.59 N ATOM 657 HD22 ASN A 369 28.733 49.273 35.366 1.00 0.00 H ATOM 658 HD21 ASN A 369 28.718 49.585 37.140 1.00 0.00 H ATOM 659 H ASN A 369 28.239 53.839 34.458 1.00 0.00 H ATOM 660 N ALA A 370 28.840 53.026 31.742 1.00 12.68 N ATOM 661 CA ALA A 370 28.660 53.342 30.332 1.00 12.90 C ATOM 662 C ALA A 370 29.315 52.326 29.404 1.00 13.42 C ATOM 663 O ALA A 370 30.307 51.683 29.757 1.00 14.36 O ATOM 664 CB ALA A 370 29.218 54.731 30.038 1.00 12.09 C ATOM 665 H ALA A 370 29.459 53.629 32.320 1.00 0.00 H ATOM 666 N SER A 371 28.747 52.195 28.210 1.00 15.21 N ATOM 667 CA SER A 371 29.399 51.492 27.120 1.00 14.24 C ATOM 668 C SER A 371 30.428 52.433 26.487 1.00 18.07 C ATOM 669 O SER A 371 30.346 53.659 26.644 1.00 14.68 O ATOM 670 CB SER A 371 28.373 51.026 26.086 1.00 18.52 C ATOM 671 OG SER A 371 27.795 52.132 25.412 1.00 20.76 O ATOM 672 HG SER A 371 27.136 51.805 24.749 1.00 0.00 H ATOM 673 H SER A 371 27.806 52.609 28.051 1.00 0.00 H ATOM 674 N HIS A 372 31.390 51.873 25.766 1.00 13.71 N ATOM 675 CA HIS A 372 32.493 52.677 25.254 1.00 12.63 C ATOM 676 C HIS A 372 32.025 53.777 24.301 1.00 13.04 C ATOM 677 O HIS A 372 32.356 54.952 24.488 1.00 12.26 O ATOM 678 CB HIS A 372 33.526 51.794 24.552 1.00 15.48 C ATOM 679 CG HIS A 372 34.730 52.555 24.083 1.00 12.22 C ATOM 680 ND1 HIS A 372 35.866 52.683 24.851 1.00 11.37 N ATOM 681 CD2 HIS A 372 34.950 53.262 22.955 1.00 14.79 C ATOM 682 CE1 HIS A 372 36.745 53.435 24.203 1.00 11.54 C ATOM 683 NE2 HIS A 372 36.213 53.796 23.051 1.00 11.79 N ATOM 684 H HIS A 372 31.357 50.853 25.564 1.00 0.00 H ATOM 685 N GLU A 373 31.232 53.386 23.312 1.00 14.38 N ATOM 686 CA GLU A 373 30.788 54.303 22.273 1.00 18.68 C ATOM 687 C GLU A 373 29.884 55.407 22.841 1.00 14.26 C ATOM 688 O GLU A 373 29.994 56.563 22.440 1.00 14.41 O ATOM 689 CB GLU A 373 30.072 53.521 21.169 1.00 20.61 C ATOM 690 CG GLU A 373 30.962 52.486 20.470 1.00 22.31 C ATOM 691 CD GLU A 373 31.085 51.155 21.226 1.00 24.72 C ATOM 692 OE1 GLU A 373 31.767 50.255 20.698 1.00 29.57 O ATOM 693 OE2 GLU A 373 30.513 50.993 22.333 1.00 16.09 O ATOM 694 H GLU A 373 30.918 52.395 23.278 1.00 0.00 H ATOM 695 N GLN A 374 29.000 55.055 23.775 1.00 14.51 N ATOM 696 CA GLN A 374 28.108 56.037 24.398 1.00 14.73 C ATOM 697 C GLN A 374 28.882 56.995 25.296 1.00 16.56 C ATOM 698 O GLN A 374 28.514 58.156 25.406 1.00 13.94 O ATOM 699 CB GLN A 374 26.993 55.387 25.224 1.00 22.93 C ATOM 700 CG GLN A 374 25.792 54.849 24.463 1.00 23.37 C ATOM 701 CD GLN A 374 25.190 55.787 23.403 1.00 17.56 C ATOM 702 OE1 GLN A 374 24.890 56.965 23.648 1.00 20.51 O ATOM 703 NE2 GLN A 374 24.982 55.246 22.229 1.00 18.56 N ATOM 704 HE22 GLN A 374 25.246 54.255 22.059 1.00 0.00 H ATOM 705 HE21 GLN A 374 24.552 55.808 21.466 1.00 0.00 H ATOM 706 H GLN A 374 28.942 54.059 24.069 1.00 0.00 H ATOM 707 N ALA A 375 29.932 56.513 25.960 1.00 13.98 N ATOM 708 CA ALA A 375 30.782 57.388 26.757 1.00 14.70 C ATOM 709 C ALA A 375 31.421 58.441 25.858 1.00 11.11 C ATOM 710 O ALA A 375 31.440 59.630 26.178 1.00 12.25 O ATOM 711 CB ALA A 375 31.865 56.575 27.487 1.00 10.49 C ATOM 712 H ALA A 375 30.148 55.497 25.909 1.00 0.00 H ATOM 713 N ALA A 376 31.953 57.992 24.731 1.00 14.18 N ATOM 714 CA ALA A 376 32.614 58.893 23.793 1.00 11.14 C ATOM 715 C ALA A 376 31.611 59.921 23.284 1.00 11.84 C ATOM 716 O ALA A 376 31.910 61.103 23.181 1.00 12.82 O ATOM 717 CB ALA A 376 33.210 58.113 22.645 1.00 13.53 C ATOM 718 H ALA A 376 31.898 56.977 24.510 1.00 0.00 H ATOM 719 N ILE A 377 30.408 59.462 22.965 1.00 12.89 N ATOM 720 CA ILE A 377 29.370 60.360 22.490 1.00 13.77 C ATOM 721 C ILE A 377 29.024 61.381 23.573 1.00 13.45 C ATOM 722 O ILE A 377 28.897 62.569 23.285 1.00 15.71 O ATOM 723 CB ILE A 377 28.133 59.564 22.051 1.00 16.25 C ATOM 724 CG1 ILE A 377 28.431 58.829 20.741 1.00 17.66 C ATOM 725 CG2 ILE A 377 26.926 60.483 21.865 1.00 19.31 C ATOM 726 CD1 ILE A 377 27.425 57.739 20.428 1.00 22.88 C ATOM 727 H ILE A 377 30.205 58.446 23.056 1.00 0.00 H ATOM 728 N ALA A 378 28.879 60.925 24.818 1.00 13.42 N ATOM 729 CA ALA A 378 28.561 61.822 25.926 1.00 12.92 C ATOM 730 C ALA A 378 29.596 62.931 26.069 1.00 13.16 C ATOM 731 O ALA A 378 29.250 64.093 26.290 1.00 14.75 O ATOM 732 CB ALA A 378 28.459 61.046 27.230 1.00 14.89 C ATOM 733 H ALA A 378 28.995 59.908 25.004 1.00 0.00 H ATOM 734 N LEU A 379 30.867 62.549 25.967 1.00 12.18 N ATOM 735 CA LEU A 379 31.975 63.488 26.080 1.00 11.45 C ATOM 736 C LEU A 379 32.026 64.448 24.891 1.00 12.22 C ATOM 737 O LEU A 379 32.134 65.657 25.066 1.00 12.36 O ATOM 738 CB LEU A 379 33.293 62.717 26.215 1.00 10.44 C ATOM 739 CG LEU A 379 33.447 62.032 27.584 1.00 9.67 C ATOM 740 CD1 LEU A 379 34.454 60.884 27.561 1.00 9.53 C ATOM 741 CD2 LEU A 379 33.855 63.073 28.623 1.00 11.11 C ATOM 742 H LEU A 379 31.077 61.544 25.801 1.00 0.00 H ATOM 743 N LYS A 380 31.940 63.913 23.680 1.00 12.99 N ATOM 744 CA LYS A 380 32.031 64.736 22.485 1.00 13.90 C ATOM 745 C LYS A 380 30.861 65.716 22.357 1.00 15.04 C ATOM 746 O LYS A 380 31.002 66.788 21.763 1.00 15.69 O ATOM 747 CB LYS A 380 32.096 63.855 21.236 1.00 14.63 C ATOM 748 CG LYS A 380 33.421 63.138 21.054 1.00 15.46 C ATOM 749 CD LYS A 380 33.391 62.302 19.799 1.00 17.51 C ATOM 750 CE LYS A 380 34.666 61.506 19.626 1.00 20.30 C ATOM 751 NZ LYS A 380 34.684 60.762 18.333 1.00 21.20 N ATOM 752 HZ1 LYS A 380 33.880 60.103 18.303 1.00 0.00 H ATOM 753 HZ2 LYS A 380 34.610 61.437 17.545 1.00 0.00 H ATOM 754 HZ3 LYS A 380 35.574 60.230 18.253 1.00 0.00 H ATOM 755 H LYS A 380 31.805 62.886 23.584 1.00 0.00 H ATOM 756 N ASN A 381 29.704 65.345 22.904 1.00 15.51 N ATOM 757 CA ASN A 381 28.502 66.163 22.777 1.00 16.82 C ATOM 758 C ASN A 381 28.165 66.927 24.051 1.00 16.53 C ATOM 759 O ASN A 381 27.051 67.443 24.190 1.00 18.93 O ATOM 760 CB ASN A 381 27.307 65.288 22.386 1.00 18.03 C ATOM 761 CG ASN A 381 27.378 64.811 20.951 1.00 25.31 C ATOM 762 OD1 ASN A 381 26.867 65.465 20.042 1.00 43.28 O ATOM 763 ND2 ASN A 381 28.014 63.667 20.738 1.00 28.86 N ATOM 764 HD22 ASN A 381 28.431 63.147 21.537 1.00 0.00 H ATOM 765 HD21 ASN A 381 28.096 63.289 19.772 1.00 0.00 H ATOM 766 H ASN A 381 29.656 64.451 23.434 1.00 0.00 H ATOM 767 N ALA A 382 29.114 67.018 24.970 1.00 15.89 N ATOM 768 CA ALA A 382 28.838 67.564 26.295 1.00 15.42 C ATOM 769 C ALA A 382 28.671 69.081 26.286 1.00 24.38 C ATOM 770 O ALA A 382 28.207 69.660 27.271 1.00 27.37 O ATOM 771 CB ALA A 382 29.948 67.172 27.265 1.00 16.15 C ATOM 772 H ALA A 382 30.076 66.694 24.743 1.00 0.00 H ATOM 773 N GLY A 383 29.039 69.725 25.185 1.00 21.58 N ATOM 774 CA GLY A 383 28.938 71.168 25.101 1.00 19.87 C ATOM 775 C GLY A 383 30.259 71.846 25.397 1.00 16.97 C ATOM 776 O GLY A 383 31.276 71.183 25.603 1.00 18.21 O ATOM 777 H GLY A 383 29.404 69.187 24.373 1.00 0.00 H ATOM 778 N GLN A 384 30.245 73.175 25.413 1.00 18.23 N ATOM 779 CA GLN A 384 31.479 73.946 25.507 1.00 18.00 C ATOM 780 C GLN A 384 32.069 73.870 26.918 1.00 17.01 C ATOM 781 O GLN A 384 33.283 73.832 27.082 1.00 18.25 O ATOM 782 CB GLN A 384 31.218 75.398 25.096 1.00 19.56 C ATOM 783 CG GLN A 384 30.596 75.514 23.696 1.00 22.44 C ATOM 784 CD GLN A 384 29.977 76.870 23.422 1.00 25.20 C ATOM 785 OE1 GLN A 384 30.602 77.740 22.823 1.00 25.47 O ATOM 786 NE2 GLN A 384 28.735 77.050 23.849 1.00 24.09 N ATOM 787 HE22 GLN A 384 28.242 76.285 24.353 1.00 0.00 H ATOM 788 HE21 GLN A 384 28.253 77.956 23.680 1.00 0.00 H ATOM 789 H GLN A 384 29.335 73.675 25.357 1.00 0.00 H ATOM 790 N THR A 385 31.201 73.843 27.924 1.00 16.65 N ATOM 791 CA THR A 385 31.624 73.683 29.313 1.00 15.91 C ATOM 792 C THR A 385 31.389 72.254 29.747 1.00 14.91 C ATOM 793 O THR A 385 30.251 71.783 29.770 1.00 17.99 O ATOM 794 CB THR A 385 30.860 74.615 30.277 1.00 18.52 C ATOM 795 OG1 THR A 385 30.925 75.969 29.805 1.00 20.20 O ATOM 796 CG2 THR A 385 31.450 74.531 31.675 1.00 22.19 C ATOM 797 HG1 THR A 385 31.871 76.255 29.756 1.00 0.00 H ATOM 798 H THR A 385 30.187 73.939 27.715 1.00 0.00 H ATOM 799 N VAL A 386 32.468 71.577 30.120 1.00 13.57 N ATOM 800 CA VAL A 386 32.416 70.156 30.410 1.00 13.27 C ATOM 801 C VAL A 386 32.791 69.924 31.865 1.00 12.15 C ATOM 802 O VAL A 386 33.929 70.151 32.257 1.00 15.28 O ATOM 803 CB VAL A 386 33.339 69.383 29.453 1.00 13.02 C ATOM 804 CG1 VAL A 386 33.254 67.882 29.700 1.00 15.22 C ATOM 805 CG2 VAL A 386 32.974 69.718 28.021 1.00 13.41 C ATOM 806 H VAL A 386 33.375 72.078 30.207 1.00 0.00 H ATOM 807 N THR A 387 31.821 69.485 32.662 1.00 12.86 N ATOM 808 CA THR A 387 32.044 69.227 34.085 1.00 14.20 C ATOM 809 C THR A 387 32.226 67.731 34.309 1.00 11.61 C ATOM 810 O THR A 387 31.276 66.950 34.224 1.00 13.41 O ATOM 811 CB THR A 387 30.888 69.754 34.947 1.00 15.66 C ATOM 812 OG1 THR A 387 30.762 71.173 34.764 1.00 17.97 O ATOM 813 CG2 THR A 387 31.135 69.449 36.432 1.00 18.64 C ATOM 814 HG1 THR A 387 30.578 71.367 33.811 1.00 0.00 H ATOM 815 H THR A 387 30.875 69.320 32.262 1.00 0.00 H ATOM 816 N ILE A 388 33.464 67.349 34.605 1.00 10.98 N ATOM 817 CA ILE A 388 33.805 65.954 34.810 1.00 10.23 C ATOM 818 C ILE A 388 33.995 65.692 36.293 1.00 11.56 C ATOM 819 O ILE A 388 34.632 66.479 36.992 1.00 12.25 O ATOM 820 CB ILE A 388 35.078 65.590 34.021 1.00 8.66 C ATOM 821 CG1 ILE A 388 34.774 65.553 32.524 1.00 11.97 C ATOM 822 CG2 ILE A 388 35.662 64.237 34.464 1.00 12.45 C ATOM 823 CD1 ILE A 388 35.990 65.600 31.675 1.00 16.49 C ATOM 824 H ILE A 388 34.209 68.070 34.692 1.00 0.00 H ATOM 825 N ILE A 389 33.409 64.599 36.770 1.00 9.55 N ATOM 826 CA ILE A 389 33.773 64.031 38.061 1.00 9.85 C ATOM 827 C ILE A 389 34.703 62.875 37.753 1.00 10.52 C ATOM 828 O ILE A 389 34.335 61.957 37.016 1.00 9.44 O ATOM 829 CB ILE A 389 32.555 63.564 38.879 1.00 11.85 C ATOM 830 CG1 ILE A 389 31.540 64.699 39.039 1.00 17.96 C ATOM 831 CG2 ILE A 389 33.009 63.039 40.234 1.00 10.52 C ATOM 832 CD1 ILE A 389 32.102 65.961 39.662 1.00 18.62 C ATOM 833 H ILE A 389 32.669 64.136 36.205 1.00 0.00 H ATOM 834 N ALA A 390 35.918 62.931 38.289 1.00 9.74 N ATOM 835 CA ALA A 390 36.906 61.898 38.020 1.00 8.45 C ATOM 836 C ALA A 390 37.446 61.353 39.326 1.00 7.71 C ATOM 837 O ALA A 390 37.414 62.029 40.361 1.00 8.30 O ATOM 838 CB ALA A 390 38.031 62.445 37.163 1.00 13.05 C ATOM 839 H ALA A 390 36.166 63.727 38.911 1.00 0.00 H ATOM 840 N GLN A 391 37.931 60.125 39.272 1.00 7.36 N ATOM 841 CA GLN A 391 38.496 59.480 40.441 1.00 7.62 C ATOM 842 C GLN A 391 39.655 58.596 39.992 1.00 7.24 C ATOM 843 O GLN A 391 39.517 57.799 39.067 1.00 7.28 O ATOM 844 CB GLN A 391 37.436 58.661 41.175 1.00 8.22 C ATOM 845 CG GLN A 391 37.965 57.997 42.434 1.00 8.98 C ATOM 846 CD GLN A 391 36.850 57.489 43.311 1.00 16.42 C ATOM 847 OE1 GLN A 391 35.788 57.081 42.823 1.00 14.20 O ATOM 848 NE2 GLN A 391 37.073 57.516 44.617 1.00 14.49 N ATOM 849 HE22 GLN A 391 37.981 57.867 44.982 1.00 0.00 H ATOM 850 HE21 GLN A 391 36.340 57.186 45.277 1.00 0.00 H ATOM 851 H GLN A 391 37.907 59.609 38.369 1.00 0.00 H ATOM 852 N TYR A 392 40.796 58.746 40.654 1.00 7.40 N ATOM 853 CA TYR A 392 42.021 58.056 40.266 1.00 6.99 C ATOM 854 C TYR A 392 41.982 56.584 40.680 1.00 7.15 C ATOM 855 O TYR A 392 41.842 56.265 41.862 1.00 7.74 O ATOM 856 CB TYR A 392 43.217 58.778 40.890 1.00 7.38 C ATOM 857 CG TYR A 392 44.561 58.270 40.422 1.00 7.30 C ATOM 858 CD1 TYR A 392 44.895 58.246 39.077 1.00 6.84 C ATOM 859 CD2 TYR A 392 45.509 57.832 41.334 1.00 8.01 C ATOM 860 CE1 TYR A 392 46.124 57.786 38.661 1.00 7.12 C ATOM 861 CE2 TYR A 392 46.728 57.374 40.922 1.00 8.53 C ATOM 862 CZ TYR A 392 47.039 57.361 39.589 1.00 10.05 C ATOM 863 OH TYR A 392 48.269 56.900 39.181 1.00 10.72 O ATOM 864 HH TYR A 392 48.378 55.958 39.465 1.00 0.00 H ATOM 865 H TYR A 392 40.817 59.379 41.479 1.00 0.00 H ATOM 866 N LYS A 393 42.071 55.696 39.687 1.00 9.37 N ATOM 867 CA LYS A 393 41.901 54.255 39.891 1.00 7.66 C ATOM 868 C LYS A 393 42.998 53.503 39.133 1.00 9.00 C ATOM 869 O LYS A 393 42.733 52.804 38.150 1.00 9.55 O ATOM 870 CB LYS A 393 40.518 53.803 39.414 1.00 9.19 C ATOM 871 CG LYS A 393 39.357 54.282 40.281 1.00 12.08 C ATOM 872 CD LYS A 393 39.241 53.464 41.545 1.00 31.59 C ATOM 873 CE LYS A 393 38.037 53.885 42.374 1.00 67.61 C ATOM 874 NZ LYS A 393 37.540 52.773 43.233 1.00 95.91 N ATOM 875 HZ1 LYS A 393 37.260 51.972 42.633 1.00 0.00 H ATOM 876 HZ2 LYS A 393 38.295 52.474 43.882 1.00 0.00 H ATOM 877 HZ3 LYS A 393 36.719 53.101 43.782 1.00 0.00 H ATOM 878 H LYS A 393 42.270 56.042 38.727 1.00 0.00 H ATOM 879 N PRO A 394 44.248 53.663 39.579 1.00 8.54 N ATOM 880 CA PRO A 394 45.382 53.163 38.793 1.00 7.79 C ATOM 881 C PRO A 394 45.438 51.643 38.707 1.00 7.79 C ATOM 882 O PRO A 394 45.908 51.088 37.704 1.00 10.99 O ATOM 883 CB PRO A 394 46.599 53.715 39.545 1.00 9.48 C ATOM 884 CG PRO A 394 46.118 54.000 40.915 1.00 10.31 C ATOM 885 CD PRO A 394 44.681 54.419 40.764 1.00 8.80 C ATOM 886 N GLU A 395 44.982 50.960 39.750 1.00 7.96 N ATOM 887 CA GLU A 395 45.012 49.503 39.729 1.00 11.30 C ATOM 888 C GLU A 395 44.086 48.977 38.636 1.00 10.97 C ATOM 889 O GLU A 395 44.473 48.103 37.854 1.00 12.02 O ATOM 890 CB GLU A 395 44.619 48.924 41.091 1.00 11.60 C ATOM 891 CG GLU A 395 45.624 49.180 42.207 1.00 14.39 C ATOM 892 CD GLU A 395 45.545 50.588 42.778 1.00 14.34 C ATOM 893 OE1 GLU A 395 44.512 51.275 42.578 1.00 16.53 O ATOM 894 OE2 GLU A 395 46.533 51.009 43.418 1.00 16.92 O ATOM 895 H GLU A 395 44.605 51.463 40.579 1.00 0.00 H ATOM 896 N GLU A 396 42.862 49.500 38.584 1.00 10.94 N ATOM 897 CA GLU A 396 41.919 49.111 37.538 1.00 10.40 C ATOM 898 C GLU A 396 42.471 49.465 36.168 1.00 12.37 C ATOM 899 O GLU A 396 42.385 48.674 35.225 1.00 11.88 O ATOM 900 CB GLU A 396 40.558 49.790 37.731 1.00 12.49 C ATOM 901 CG GLU A 396 39.703 49.173 38.813 1.00 18.46 C ATOM 902 CD GLU A 396 40.061 49.672 40.193 1.00 21.13 C ATOM 903 OE1 GLU A 396 41.020 50.469 40.315 1.00 17.71 O ATOM 904 OE2 GLU A 396 39.375 49.274 41.155 1.00 23.60 O ATOM 905 H GLU A 396 42.573 50.197 39.300 1.00 0.00 H ATOM 906 N TYR A 397 43.038 50.661 36.058 1.00 10.39 N ATOM 907 CA TYR A 397 43.541 51.129 34.783 1.00 7.88 C ATOM 908 C TYR A 397 44.667 50.237 34.275 1.00 10.91 C ATOM 909 O TYR A 397 44.780 49.970 33.073 1.00 10.73 O ATOM 910 CB TYR A 397 44.056 52.582 34.862 1.00 11.86 C ATOM 911 CG TYR A 397 44.764 52.910 33.581 1.00 6.35 C ATOM 912 CD1 TYR A 397 44.056 53.243 32.437 1.00 9.13 C ATOM 913 CD2 TYR A 397 46.139 52.777 33.477 1.00 9.79 C ATOM 914 CE1 TYR A 397 44.689 53.469 31.251 1.00 13.49 C ATOM 915 CE2 TYR A 397 46.780 53.004 32.294 1.00 9.27 C ATOM 916 CZ TYR A 397 46.048 53.344 31.176 1.00 10.11 C ATOM 917 OH TYR A 397 46.666 53.566 29.980 1.00 12.18 O ATOM 918 HH TYR A 397 47.149 52.748 29.703 1.00 0.00 H ATOM 919 H TYR A 397 43.122 51.269 36.898 1.00 0.00 H ATOM 920 N SER A 398 45.512 49.787 35.196 1.00 10.69 N ATOM 921 CA SER A 398 46.729 49.069 34.825 1.00 13.81 C ATOM 922 C SER A 398 46.446 47.773 34.062 1.00 16.27 C ATOM 923 O SER A 398 47.336 47.241 33.396 1.00 17.42 O ATOM 924 CB SER A 398 47.561 48.766 36.078 1.00 13.86 C ATOM 925 OG SER A 398 46.983 47.723 36.844 1.00 11.30 O ATOM 926 HG SER A 398 46.073 47.989 37.128 1.00 0.00 H ATOM 927 H SER A 398 45.303 49.949 36.202 1.00 0.00 H ATOM 928 N ARG A 399 45.218 47.267 34.147 1.00 13.18 N ATOM 929 CA ARG A 399 44.852 46.044 33.437 1.00 13.90 C ATOM 930 C ARG A 399 44.756 46.270 31.928 1.00 12.50 C ATOM 931 O ARG A 399 44.830 45.321 31.148 1.00 11.47 O ATOM 932 CB ARG A 399 43.521 45.494 33.954 1.00 17.84 C ATOM 933 CG ARG A 399 42.292 46.173 33.370 1.00 23.92 C ATOM 934 H ARG A 399 44.506 47.751 34.730 1.00 0.00 H ATOM 935 N PHE A 400 44.578 47.523 31.519 1.00 10.98 N ATOM 936 CA PHE A 400 44.431 47.853 30.107 1.00 8.87 C ATOM 937 C PHE A 400 45.761 47.954 29.372 1.00 10.03 C ATOM 938 O PHE A 400 45.862 47.590 28.202 1.00 11.57 O ATOM 939 CB PHE A 400 43.697 49.186 29.944 1.00 10.11 C ATOM 940 CG PHE A 400 42.256 49.144 30.355 1.00 12.05 C ATOM 941 CD1 PHE A 400 41.298 48.639 29.500 1.00 17.20 C ATOM 942 CD2 PHE A 400 41.858 49.656 31.574 1.00 16.41 C ATOM 943 CE1 PHE A 400 39.972 48.611 29.869 1.00 20.08 C ATOM 944 CE2 PHE A 400 40.528 49.635 31.947 1.00 17.96 C ATOM 945 CZ PHE A 400 39.590 49.117 31.093 1.00 15.74 C ATOM 946 H PHE A 400 44.543 48.286 32.224 1.00 0.00 H ATOM 947 N GLU A 401 46.768 48.492 30.051 1.00 8.84 N ATOM 948 CA GLU A 401 48.013 48.848 29.379 1.00 9.20 C ATOM 949 C GLU A 401 49.080 47.805 29.662 1.00 9.96 C ATOM 950 O GLU A 401 49.312 47.431 30.809 1.00 12.88 O ATOM 951 CB GLU A 401 48.493 50.241 29.812 1.00 8.77 C ATOM 952 CG GLU A 401 49.629 50.775 28.934 1.00 10.27 C ATOM 953 CD GLU A 401 49.994 52.240 29.180 1.00 12.44 C ATOM 954 OE1 GLU A 401 49.304 52.935 29.974 1.00 12.44 O ATOM 955 OE2 GLU A 401 50.985 52.696 28.562 1.00 14.61 O ATOM 956 H GLU A 401 46.668 48.661 31.072 1.00 0.00 H ATOM 957 N ALA A 402 49.734 47.341 28.606 1.00 10.82 N ATOM 958 CA ALA A 402 50.729 46.277 28.721 1.00 11.78 C ATOM 959 C ALA A 402 51.850 46.628 29.697 1.00 11.82 C ATOM 960 O ALA A 402 52.317 47.767 29.739 1.00 11.53 O ATOM 961 CB ALA A 402 51.309 45.955 27.343 1.00 12.84 C ATOM 962 H ALA A 402 49.533 47.746 27.669 1.00 0.00 H ATOM 963 N ASN A 403 52.251 45.633 30.486 1.00 13.58 N ATOM 964 CA ASN A 403 53.406 45.737 31.380 1.00 13.80 C ATOM 965 C ASN A 403 53.293 46.894 32.363 1.00 15.37 C ATOM 966 O ASN A 403 54.300 47.490 32.744 1.00 15.04 O ATOM 967 CB ASN A 403 54.696 45.898 30.580 1.00 15.20 C ATOM 968 CG ASN A 403 54.961 44.732 29.651 1.00 29.75 C ATOM 969 OD1 ASN A 403 55.267 44.919 28.476 1.00 51.19 O ATOM 970 ND2 ASN A 403 54.849 43.521 30.176 1.00 19.77 N ATOM 971 HD22 ASN A 403 54.587 43.410 31.176 1.00 0.00 H ATOM 972 HD21 ASN A 403 55.023 42.681 29.588 1.00 0.00 H ATOM 973 H ASN A 403 51.719 44.740 30.466 1.00 0.00 H ATOM 974 N SER A 404 52.068 47.224 32.753 1.00 12.23 N ATOM 975 CA SER A 404 51.840 48.322 33.683 1.00 12.00 C ATOM 976 C SER A 404 51.656 47.794 35.098 1.00 12.83 C ATOM 977 O SER A 404 51.325 46.624 35.306 1.00 15.00 O ATOM 978 CB SER A 404 50.618 49.148 33.265 1.00 11.40 C ATOM 979 OG SER A 404 49.424 48.388 33.337 1.00 12.58 O ATOM 980 HG SER A 404 49.495 47.607 32.733 1.00 0.00 H ATOM 981 H SER A 404 51.255 46.688 32.388 1.00 0.00 H ATOM 982 N ARG A 405 51.887 48.670 36.067 1.00 10.26 N ATOM 983 CA ARG A 405 51.689 48.346 37.458 1.00 10.48 C ATOM 984 C ARG A 405 51.645 49.650 38.231 1.00 10.17 C ATOM 985 O ARG A 405 51.922 50.716 37.678 1.00 10.76 O ATOM 986 CB ARG A 405 52.802 47.441 37.975 1.00 11.62 C ATOM 987 CG ARG A 405 54.176 48.070 37.853 1.00 12.30 C ATOM 988 CD ARG A 405 55.289 47.118 38.225 1.00 13.63 C ATOM 989 NE ARG A 405 56.571 47.712 37.864 1.00 14.43 N ATOM 990 CZ ARG A 405 57.262 48.537 38.639 1.00 15.02 C ATOM 991 NH1 ARG A 405 56.830 48.849 39.850 1.00 14.89 N ATOM 992 NH2 ARG A 405 58.406 49.039 38.199 1.00 19.90 N ATOM 993 HE ARG A 405 56.971 47.472 36.934 1.00 0.00 H ATOM 994 HH12 ARG A 405 57.381 49.497 40.448 1.00 0.00 H ATOM 995 HH11 ARG A 405 55.939 48.446 40.204 1.00 0.00 H ATOM 996 HH22 ARG A 405 58.955 49.687 38.800 1.00 0.00 H ATOM 997 HH21 ARG A 405 58.755 48.785 37.253 1.00 0.00 H ATOM 998 H ARG A 405 52.222 49.622 35.815 1.00 0.00 H ATOM 999 N VAL A 406 51.323 49.557 39.514 1.00 10.58 N ATOM 1000 CA VAL A 406 51.182 50.725 40.363 1.00 10.29 C ATOM 1001 C VAL A 406 52.270 50.697 41.435 1.00 11.41 C ATOM 1002 O VAL A 406 52.454 49.681 42.102 1.00 12.11 O ATOM 1003 CB VAL A 406 49.781 50.764 40.989 1.00 9.95 C ATOM 1004 CG1 VAL A 406 49.594 52.020 41.803 1.00 11.59 C ATOM 1005 CG2 VAL A 406 48.703 50.651 39.905 1.00 12.61 C ATOM 1006 H VAL A 406 51.166 48.615 39.926 1.00 0.00 H ATOM 1007 N ASP A 407 52.993 51.800 41.605 1.00 13.61 N ATOM 1008 CA ASP A 407 54.027 51.848 42.641 1.00 13.95 C ATOM 1009 C ASP A 407 53.458 52.375 43.970 1.00 13.39 C ATOM 1010 O ASP A 407 52.253 52.566 44.102 1.00 13.91 O ATOM 1011 CB ASP A 407 55.245 52.667 42.165 1.00 23.84 C ATOM 1012 CG ASP A 407 55.018 54.170 42.162 1.00 21.01 C ATOM 1013 OD1 ASP A 407 54.041 54.674 42.756 1.00 21.11 O ATOM 1014 OD2 ASP A 407 55.880 54.866 41.579 1.00 20.35 O ATOM 1015 H ASP A 407 52.824 52.630 41.001 1.00 0.00 H ATOM 1016 N SER A 408 54.324 52.587 44.960 1.00 21.50 N ATOM 1017 CA SER A 408 53.866 52.841 46.326 1.00 21.26 C ATOM 1018 C SER A 408 53.177 54.190 46.510 1.00 23.06 C ATOM 1019 O SER A 408 52.397 54.367 47.450 1.00 28.13 O ATOM 1020 CB SER A 408 55.042 52.735 47.300 1.00 28.15 C ATOM 1021 OG SER A 408 55.974 53.781 47.088 1.00 40.02 O ATOM 1022 HG SER A 408 56.723 53.689 47.729 1.00 0.00 H ATOM 1023 H SER A 408 55.344 52.572 44.758 1.00 0.00 H ATOM 1024 N SER A 409 53.451 55.141 45.623 1.00 18.59 N ATOM 1025 CA SER A 409 52.778 56.442 45.674 1.00 21.00 C ATOM 1026 C SER A 409 51.486 56.439 44.862 1.00 20.29 C ATOM 1027 O SER A 409 50.759 57.431 44.833 1.00 19.95 O ATOM 1028 CB SER A 409 53.701 57.544 45.157 1.00 33.26 C ATOM 1029 OG SER A 409 53.730 57.539 43.739 1.00 39.16 O ATOM 1030 HG SER A 409 54.063 56.663 43.420 1.00 0.00 H ATOM 1031 H SER A 409 54.155 54.959 44.880 1.00 0.00 H ATOM 1032 N GLY A 410 51.200 55.322 44.197 1.00 15.75 N ATOM 1033 CA GLY A 410 50.025 55.220 43.359 1.00 15.79 C ATOM 1034 C GLY A 410 50.281 55.568 41.905 1.00 14.41 C ATOM 1035 O GLY A 410 49.364 55.598 41.088 1.00 16.01 O ATOM 1036 H GLY A 410 51.836 54.503 44.282 1.00 0.00 H ATOM 1037 N ARG A 411 51.541 55.816 41.558 1.00 14.15 N ATOM 1038 CA ARG A 411 51.854 56.159 40.183 1.00 11.29 C ATOM 1039 C ARG A 411 51.872 54.921 39.291 1.00 11.61 C ATOM 1040 O ARG A 411 52.267 53.838 39.713 1.00 13.59 O ATOM 1041 CB ARG A 411 53.187 56.909 40.119 1.00 14.23 C ATOM 1042 CG ARG A 411 52.985 58.363 40.526 1.00 24.49 C ATOM 1043 CD ARG A 411 54.252 59.124 40.786 1.00 31.31 C ATOM 1044 NE ARG A 411 53.921 60.516 41.086 1.00 29.89 N ATOM 1045 CZ ARG A 411 53.451 60.942 42.257 1.00 27.91 C ATOM 1046 NH1 ARG A 411 53.263 60.093 43.256 1.00 26.06 N ATOM 1047 NH2 ARG A 411 53.166 62.224 42.429 1.00 32.27 N ATOM 1048 HE ARG A 411 54.062 61.221 40.334 1.00 0.00 H ATOM 1049 HH12 ARG A 411 52.896 60.435 44.167 1.00 0.00 H ATOM 1050 HH11 ARG A 411 53.483 59.084 43.130 1.00 0.00 H ATOM 1051 HH22 ARG A 411 52.799 62.557 43.343 1.00 0.00 H ATOM 1052 HH21 ARG A 411 53.309 62.898 41.650 1.00 0.00 H ATOM 1053 H ARG A 411 52.298 55.764 42.269 1.00 0.00 H ATOM 1054 N ILE A 412 51.398 55.085 38.061 1.00 9.14 N ATOM 1055 CA ILE A 412 51.389 53.998 37.091 1.00 8.94 C ATOM 1056 C ILE A 412 52.750 53.920 36.431 1.00 17.69 C ATOM 1057 O ILE A 412 53.203 54.891 35.832 1.00 16.36 O ATOM 1058 CB ILE A 412 50.280 54.199 36.048 1.00 9.22 C ATOM 1059 CG1 ILE A 412 48.918 54.183 36.722 1.00 11.43 C ATOM 1060 CG2 ILE A 412 50.345 53.116 34.972 1.00 14.22 C ATOM 1061 CD1 ILE A 412 47.864 54.958 35.969 1.00 15.87 C ATOM 1062 H ILE A 412 51.023 56.014 37.783 1.00 0.00 H ATOM 1063 N VAL A 413 53.381 52.757 36.549 1.00 13.83 N ATOM 1064 CA VAL A 413 54.690 52.478 35.967 1.00 11.34 C ATOM 1065 C VAL A 413 54.517 51.460 34.866 1.00 11.26 C ATOM 1066 O VAL A 413 53.855 50.441 35.054 1.00 11.74 O ATOM 1067 CB VAL A 413 55.670 51.958 37.037 1.00 12.97 C ATOM 1068 CG1 VAL A 413 57.030 51.642 36.430 1.00 24.82 C ATOM 1069 CG2 VAL A 413 55.784 52.962 38.170 1.00 19.58 C ATOM 1070 H VAL A 413 52.914 52.000 37.088 1.00 0.00 H ATOM 1071 N THR A 414 55.141 51.720 33.728 1.00 14.64 N ATOM 1072 CA THR A 414 55.146 50.779 32.620 1.00 16.89 C ATOM 1073 C THR A 414 56.578 50.330 32.387 1.00 22.85 C ATOM 1074 O THR A 414 57.482 51.155 32.210 1.00 22.06 O ATOM 1075 CB THR A 414 54.550 51.414 31.358 1.00 28.69 C ATOM 1076 OG1 THR A 414 53.245 51.917 31.669 1.00 23.11 O ATOM 1077 CG2 THR A 414 54.452 50.398 30.229 1.00 24.90 C ATOM 1078 HG1 THR A 414 53.317 52.596 32.386 1.00 0.00 H ATOM 1079 H THR A 414 55.643 52.625 33.623 1.00 0.00 H ATOM 1080 N ASP A 415 56.791 49.021 32.412 1.00 19.14 N ATOM 1081 CA ASP A 415 58.132 48.468 32.286 1.00 37.97 C ATOM 1082 C ASP A 415 58.460 48.181 30.826 1.00 56.44 C ATOM 1083 O ASP A 415 57.573 48.180 29.972 1.00 38.35 O ATOM 1084 CB ASP A 415 58.270 47.189 33.120 1.00 32.04 C ATOM 1085 CG ASP A 415 58.014 47.423 34.604 1.00 28.20 C ATOM 1086 OD1 ASP A 415 58.771 48.182 35.237 1.00 19.15 O ATOM 1087 OD2 ASP A 415 57.063 46.832 35.145 1.00 21.97 O ATOM 1088 OXT ASP A 415 59.615 47.945 30.471 1.00 71.51 O ATOM 1089 H ASP A 415 55.983 48.376 32.524 1.00 0.00 H TER 1090 ASP A 415 HETATM 1091 O HOH 1 36.073 51.242 39.077 1.00 46.27 O HETATM 1092 O HOH 2 32.988 77.361 28.861 1.00 35.07 O HETATM 1093 O HOH 3 45.326 75.084 34.571 1.00 23.60 O HETATM 1094 O HOH 4 36.183 50.772 41.544 1.00 50.70 O HETATM 1095 O HOH 5 43.856 62.219 22.813 1.00 15.00 O HETATM 1096 O HOH 6 55.378 45.031 34.365 1.00 38.02 O HETATM 1097 O HOH 7 48.873 63.415 48.693 1.00 39.16 O HETATM 1098 O HOH 8 48.504 49.649 44.421 1.00 19.97 O HETATM 1099 O HOH 9 31.328 49.307 24.665 1.00 56.12 O HETATM 1100 O HOH 10 25.405 54.059 36.376 1.00 22.11 O HETATM 1101 O HOH 11 40.446 74.771 27.772 1.00 33.56 O HETATM 1102 O HOH 12 33.300 55.281 34.257 1.00 9.88 O HETATM 1103 O HOH 13 27.938 72.307 28.618 1.00 38.13 O HETATM 1104 O HOH 14 49.306 45.541 32.932 1.00 22.14 O HETATM 1105 O HOH 15 35.278 53.196 44.556 1.00 39.35 O HETATM 1106 O HOH 16 26.509 54.808 33.913 1.00 16.34 O HETATM 1107 O HOH 17 40.210 56.004 43.948 1.00 9.54 O HETATM 1108 O HOH 18 47.945 74.680 23.857 1.00 30.75 O HETATM 1109 O HOH 19 24.073 57.428 32.423 1.00 17.27 O HETATM 1110 O HOH 20 22.468 54.831 21.415 1.00 16.01 O HETATM 1111 O HOH 21 44.533 62.068 39.364 1.00 12.41 O HETATM 1112 O HOH 22 38.389 72.609 37.300 1.00 27.97 O HETATM 1113 O HOH 23 39.825 75.016 23.203 1.00 31.79 O HETATM 1114 O HOH 24 29.669 80.035 21.758 1.00 21.60 O HETATM 1115 O HOH 25 41.165 60.820 42.652 1.00 8.53 O HETATM 1116 O HOH 26 53.002 54.305 29.371 1.00 21.67 O HETATM 1117 O HOH 27 52.942 54.541 32.521 1.00 28.79 O HETATM 1118 O HOH 28 47.577 57.057 45.635 1.00 26.22 O HETATM 1119 O HOH 29 51.871 51.266 26.437 1.00 12.06 O HETATM 1120 O HOH 30 31.474 51.039 32.120 1.00 26.90 O HETATM 1121 O HOH 31 29.651 61.545 39.386 1.00 22.05 O HETATM 1122 O HOH 32 44.769 67.768 26.605 1.00 7.60 O HETATM 1123 O HOH 33 58.582 64.874 41.579 1.00 25.46 O HETATM 1124 O HOH 34 39.750 69.436 40.302 1.00 19.26 O HETATM 1125 O HOH 35 45.890 42.917 31.927 1.00 22.43 O HETATM 1126 O HOH 36 30.387 72.841 20.099 1.00 16.75 O HETATM 1127 O HOH 37 55.367 43.934 25.921 1.00 16.83 O HETATM 1128 O HOH 38 50.199 44.943 37.161 1.00 34.52 O HETATM 1129 O HOH 39 49.018 58.978 35.746 1.00 10.08 O HETATM 1130 O HOH 40 29.181 71.809 32.611 1.00 22.69 O HETATM 1131 O HOH 41 29.222 68.793 39.809 1.00 29.12 O HETATM 1132 O HOH 42 50.204 51.500 45.604 1.00 23.71 O HETATM 1133 O HOH 43 26.766 48.573 31.333 1.00 34.20 O HETATM 1134 O HOH 44 26.694 64.660 27.165 1.00 25.54 O HETATM 1135 O HOH 45 41.407 73.850 29.871 1.00 23.82 O HETATM 1136 O HOH 46 50.322 57.765 37.511 1.00 9.70 O HETATM 1137 O HOH 47 54.535 47.948 41.451 1.00 13.13 O HETATM 1138 O HOH 48 44.025 73.780 24.213 1.00 27.53 O HETATM 1139 O HOH 49 36.115 76.763 19.854 1.00 20.77 O HETATM 1140 O HOH 50 55.119 50.930 26.442 1.00 17.63 O HETATM 1141 O HOH 51 29.626 65.545 36.055 1.00 12.52 O HETATM 1142 O HOH 52 56.910 51.486 44.895 1.00 28.97 O HETATM 1143 O HOH 53 43.965 62.739 41.996 1.00 13.96 O HETATM 1144 O HOH 54 28.431 48.304 38.540 1.00 36.18 O HETATM 1145 O HOH 55 67.889 72.248 46.363 1.00 38.08 O HETATM 1146 O HOH 56 22.763 65.616 33.755 1.00 37.56 O HETATM 1147 O HOH 57 25.827 59.029 25.391 1.00 14.72 O HETATM 1148 O HOH 58 30.092 69.357 22.511 1.00 17.43 O HETATM 1149 O HOH 59 46.210 58.887 48.174 1.00 31.43 O HETATM 1150 O HOH 60 45.707 67.560 33.148 1.00 12.98 O HETATM 1151 O HOH 61 51.117 43.128 29.752 1.00 15.54 O HETATM 1152 O HOH 62 58.322 53.520 40.957 1.00 29.40 O HETATM 1153 O HOH 63 35.866 77.051 36.038 1.00 39.50 O HETATM 1154 O HOH 64 47.712 70.491 21.319 1.00 36.20 O HETATM 1155 O HOH 65 30.141 73.238 36.649 1.00 28.75 O HETATM 1156 O HOH 66 56.566 54.191 33.435 1.00 22.87 O HETATM 1157 O HOH 67 31.456 71.734 22.278 1.00 20.12 O HETATM 1158 O HOH 68 51.983 61.136 50.526 1.00 31.15 O HETATM 1159 O HOH 69 50.227 47.093 40.531 1.00 16.32 O HETATM 1160 O HOH 70 43.666 59.587 48.799 1.00 21.21 O HETATM 1161 O HOH 71 41.455 67.114 39.917 1.00 20.51 O HETATM 1162 O HOH 72 49.806 55.644 47.324 1.00 39.27 O HETATM 1163 O HOH 73 39.338 74.973 30.924 1.00 31.28 O HETATM 1164 O HOH 74 42.253 56.107 19.810 1.00 21.00 O HETATM 1165 O HOH 75 50.631 72.550 28.290 1.00 25.92 O HETATM 1166 O HOH 76 40.502 68.999 18.834 1.00 55.36 O HETATM 1167 O HOH 77 32.612 51.681 37.534 1.00 34.43 O HETATM 1168 O HOH 78 48.778 53.812 46.345 1.00 25.84 O HETATM 1169 O HOH 79 48.858 64.764 42.736 1.00 31.01 O HETATM 1170 O HOH 80 34.179 77.165 26.522 1.00 24.85 O HETATM 1171 O HOH 81 27.589 74.353 24.700 1.00 26.34 O HETATM 1172 O HOH 82 27.028 79.435 23.169 1.00 32.57 O HETATM 1173 O HOH 83 41.472 53.955 45.134 1.00 11.35 O HETATM 1174 O HOH 84 32.878 58.394 18.868 1.00 30.16 O HETATM 1175 O HOH 85 28.273 74.758 27.629 1.00 40.32 O HETATM 1176 O HOH 86 28.874 59.070 38.931 1.00 21.28 O HETATM 1177 O HOH 87 71.370 76.034 49.814 1.00 38.75 O HETATM 1178 O HOH 88 45.096 64.808 38.608 1.00 24.79 O HETATM 1179 O HOH 89 40.237 51.611 44.694 1.00 18.55 O HETATM 1180 O HOH 90 57.353 42.691 27.055 1.00 22.77 O HETATM 1181 O HOH 91 29.612 57.898 41.566 1.00 36.17 O HETATM 1182 O HOH 92 43.849 66.698 40.241 1.00 26.46 O HETATM 1183 O HOH 93 38.455 76.820 35.059 1.00 54.67 O HETATM 1184 O HOH 94 33.768 79.214 22.221 1.00 27.63 O HETATM 1185 O HOH 95 45.434 77.201 31.120 1.00 30.64 O HETATM 1186 O HOH 96 42.726 75.995 31.023 1.00 32.07 O HETATM 1187 O HOH 97 28.363 67.199 37.900 1.00 26.17 O HETATM 1188 O HOH 98 71.609 69.304 50.599 1.00 31.67 O HETATM 1189 O HOH 99 49.829 47.386 43.388 1.00 37.02 O HETATM 1190 O HOH 100 44.268 65.296 42.557 1.00 21.64 O HETATM 1191 O HOH 101 27.085 69.319 36.216 1.00 35.50 O HETATM 1192 O HOH 102 23.688 51.565 33.153 1.00 32.49 O HETATM 1193 O HOH 103 28.266 69.582 20.269 1.00 25.73 O HETATM 1194 O HOH 104 46.945 66.308 43.514 1.00 26.27 O HETATM 1195 O HOH 105 50.728 59.245 33.325 1.00 22.36 O HETATM 1196 O HOH 106 50.989 50.284 47.931 1.00 31.94 O HETATM 1197 O HOH 107 38.124 75.251 37.851 1.00 44.03 O HETATM 1198 O HOH 108 26.735 73.056 22.515 1.00 36.53 O HETATM 1199 O HOH 109 24.846 62.237 27.445 1.00 27.30 O HETATM 1200 O HOH 110 29.772 62.209 42.202 1.00 33.70 O HETATM 1201 O HOH 111 28.429 64.364 43.150 1.00 41.82 O HETATM 1202 O HOH 112 48.999 48.999 48.999 1.00 44.80 O HETATM 1203 O HOH 113 38.253 67.844 16.941 1.00 26.21 O HETATM 1204 O HOH 114 38.458 49.678 25.831 1.00 31.76 O HETATM 1205 O HOH 115 37.436 60.369 18.038 1.00 19.03 O HETATM 1206 O HOH 116 41.557 60.545 16.526 1.00 30.41 O HETATM 1207 O HOH 117 33.934 55.301 20.086 1.00 25.76 O HETATM 1208 O HOH 118 39.706 57.923 18.240 1.00 22.08 O HETATM 1209 O HOH 119 41.919 63.891 21.816 1.00 17.85 O HETATM 1210 O HOH 120 37.198 54.329 18.481 1.00 36.00 O HETATM 1211 O HOH 121 43.249 49.854 23.440 1.00 17.75 O HETATM 1212 N ASN A 122 38.849 43.549 26.718 1.00 0.24 N HETATM 1213 CA ASN A 122 39.205 44.947 26.506 1.00 0.06 C HETATM 1214 C ASN A 122 39.981 45.143 25.208 1.00 0.23 C HETATM 1215 O ASN A 122 40.840 44.339 24.858 1.00 -0.39 O HETATM 1216 N ASN A 122 39.659 46.213 24.492 1.00 -0.26 N HETATM 1217 CA ASN A 122 40.366 46.559 23.276 1.00 0.13 C HETATM 1218 C ASN A 122 39.980 48.029 22.847 1.00 0.20 C HETATM 1219 O ASN A 122 40.831 48.667 22.224 1.00 -0.39 O HETATM 1220 N ASN A 122 38.808 48.729 22.929 1.00 -0.26 N HETATM 1221 CA ASN A 122 38.456 49.940 22.185 1.00 0.13 C HETATM 1222 C ASN A 122 39.145 51.160 22.767 1.00 0.20 C HETATM 1223 O ASN A 122 39.313 51.253 23.975 1.00 -0.39 O HETATM 1224 N ASN A 122 39.516 52.103 21.912 1.00 -0.26 N HETATM 1225 CA ASN A 122 40.056 53.370 22.385 1.00 0.13 C HETATM 1226 C ASN A 122 39.646 54.533 21.484 1.00 0.20 C HETATM 1227 O ASN A 122 39.653 54.422 20.269 1.00 -0.39 O HETATM 1228 N ASN A 122 39.191 55.613 22.102 1.00 -0.26 N HETATM 1229 CA ASN A 122 38.661 56.745 21.358 1.00 0.16 C HETATM 1230 C ASN A 122 39.229 58.070 21.856 1.00 0.21 C HETATM 1231 O ASN A 122 39.302 58.319 23.059 1.00 -0.39 O HETATM 1232 N ASN A 122 39.634 58.924 20.924 1.00 -0.26 N HETATM 1233 CA ASN A 122 40.095 60.255 21.276 1.00 0.15 C HETATM 1234 C ASN A 122 38.891 61.203 21.337 1.00 0.21 C HETATM 1235 O ASN A 122 38.063 61.223 20.413 1.00 -0.39 O HETATM 1236 N ASN A 122 38.794 61.971 22.422 1.00 -0.27 N HETATM 1237 CA ASN A 122 37.684 62.898 22.635 1.00 0.10 C HETATM 1238 C ASN A 122 38.193 64.307 22.886 1.00 0.06 C HETATM 1239 O ASN A 122 37.386 65.241 22.956 1.00 -0.57 O HETATM 1240 OXT ASN A 122 39.394 64.543 23.042 1.00 -0.57 O HETATM 1241 CB ASN A 122 36.785 62.451 23.807 1.00 -0.01 C HETATM 1242 CG1 ASN A 122 36.223 61.071 23.550 1.00 -0.06 C HETATM 1243 H49 ASN A 122 35.586 60.771 24.395 1.00 0.02 H HETATM 1244 H50 ASN A 122 37.049 60.353 23.441 1.00 0.02 H HETATM 1245 H51 ASN A 122 35.625 61.085 22.627 1.00 0.02 H HETATM 1246 CG2 ASN A 122 37.553 62.471 25.132 1.00 -0.06 C HETATM 1247 H52 ASN A 122 37.956 63.479 25.307 1.00 0.02 H HETATM 1248 H53 ASN A 122 38.381 61.748 25.087 1.00 0.02 H HETATM 1249 H54 ASN A 122 36.874 62.200 25.954 1.00 0.02 H HETATM 1250 H48 ASN A 122 35.946 63.158 23.885 1.00 0.03 H HETATM 1251 H47 ASN A 122 37.073 62.910 21.720 1.00 0.07 H HETATM 1252 H46 ASN A 122 39.509 61.911 23.118 1.00 0.19 H HETATM 1253 CB ASN A 122 41.138 60.740 20.264 1.00 0.08 C HETATM 1254 OG ASN A 122 40.598 60.772 18.953 1.00 -0.39 O HETATM 1255 H45 ASN A 122 41.262 61.075 18.345 1.00 0.21 H HETATM 1256 H43 ASN A 122 42.000 60.057 20.281 1.00 0.06 H HETATM 1257 H44 ASN A 122 41.466 61.752 20.543 1.00 0.06 H HETATM 1258 H42 ASN A 122 40.565 60.218 22.270 1.00 0.08 H HETATM 1259 H41 ASN A 122 39.621 58.646 19.963 1.00 0.19 H HETATM 1260 CB ASN A 122 37.115 56.800 21.455 1.00 0.09 C HETATM 1261 OG1 ASN A 122 36.539 55.556 21.009 1.00 -0.39 O HETATM 1262 H37 ASN A 122 36.859 54.847 21.554 1.00 0.21 H HETATM 1263 CG2 ASN A 122 36.566 57.946 20.618 1.00 -0.03 C HETATM 1264 H38 ASN A 122 35.469 57.968 20.700 1.00 0.03 H HETATM 1265 H39 ASN A 122 36.852 57.801 19.566 1.00 0.03 H HETATM 1266 H40 ASN A 122 36.980 58.898 20.983 1.00 0.03 H HETATM 1267 H36 ASN A 122 36.835 56.964 22.506 1.00 0.06 H HETATM 1268 H35 ASN A 122 38.943 56.620 20.302 1.00 0.08 H HETATM 1269 H34 ASN A 122 39.212 55.651 23.101 1.00 0.19 H HETATM 1270 CB ASN A 122 41.574 53.285 22.518 1.00 0.00 C HETATM 1271 CG ASN A 122 42.175 54.472 23.236 1.00 0.04 C HETATM 1272 CD ASN A 122 43.463 54.161 23.969 1.00 0.17 C HETATM 1273 OE1 ASN A 122 44.183 55.060 24.351 1.00 -0.40 O HETATM 1274 NE2 ASN A 122 43.761 52.887 24.147 1.00 -0.30 N HETATM 1275 H32 ASN A 122 44.601 52.632 24.626 1.00 0.18 H HETATM 1276 H33 ASN A 122 43.146 52.177 23.803 1.00 0.18 H HETATM 1277 H30 ASN A 122 41.441 54.842 23.968 1.00 0.05 H HETATM 1278 H31 ASN A 122 42.380 55.258 22.494 1.00 0.05 H HETATM 1279 H28 ASN A 122 42.011 53.228 21.510 1.00 0.03 H HETATM 1280 H29 ASN A 122 41.825 52.373 23.079 1.00 0.03 H HETATM 1281 H27 ASN A 122 39.639 53.560 23.385 1.00 0.08 H HETATM 1282 H26 ASN A 122 39.424 51.942 20.929 1.00 0.19 H HETATM 1283 CB ASN A 122 36.944 50.155 22.220 1.00 -0.01 C HETATM 1284 CG ASN A 122 36.130 49.027 21.612 1.00 -0.04 C HETATM 1285 CD ASN A 122 34.646 49.216 21.875 1.00 -0.01 C HETATM 1286 CE ASN A 122 33.938 47.892 22.127 1.00 -0.04 C HETATM 1287 NZ ASN A 122 32.605 47.838 21.466 1.00 0.22 N HETATM 1288 H23 ASN A 122 32.171 46.948 21.657 1.00 0.20 H HETATM 1289 H24 ASN A 122 32.719 47.950 20.471 1.00 0.20 H HETATM 1290 H25 ASN A 122 32.023 48.579 21.823 1.00 0.20 H HETATM 1291 H21 ASN A 122 33.802 47.762 23.211 1.00 0.08 H HETATM 1292 H22 ASN A 122 34.562 47.075 21.735 1.00 0.08 H HETATM 1293 H19 ASN A 122 34.189 49.702 21.000 1.00 0.03 H HETATM 1294 H20 ASN A 122 34.521 49.859 22.759 1.00 0.03 H HETATM 1295 H17 ASN A 122 36.454 48.073 22.053 1.00 0.03 H HETATM 1296 H18 ASN A 122 36.302 49.006 20.526 1.00 0.03 H HETATM 1297 H15 ASN A 122 36.716 51.079 21.668 1.00 0.03 H HETATM 1298 H16 ASN A 122 36.638 50.271 23.270 1.00 0.03 H HETATM 1299 H14 ASN A 122 38.777 49.816 21.140 1.00 0.08 H HETATM 1300 H13 ASN A 122 38.120 48.377 23.563 1.00 0.19 H HETATM 1301 CB ASN A 122 40.022 45.588 22.150 1.00 -0.02 C HETATM 1302 H10 ASN A 122 40.571 45.873 21.240 1.00 0.03 H HETATM 1303 H11 ASN A 122 38.941 45.624 21.952 1.00 0.03 H HETATM 1304 H12 ASN A 122 40.307 44.568 22.446 1.00 0.03 H HETATM 1305 H9 ASN A 122 41.448 46.511 23.467 1.00 0.08 H HETATM 1306 H8 ASN A 122 38.908 46.796 24.800 1.00 0.19 H HETATM 1307 CB ASN A 122 40.025 45.476 27.683 1.00 -0.00 C HETATM 1308 H5 ASN A 122 40.284 46.530 27.505 1.00 0.03 H HETATM 1309 H6 ASN A 122 40.947 44.884 27.783 1.00 0.03 H HETATM 1310 H7 ASN A 122 39.434 45.394 28.608 1.00 0.03 H HETATM 1311 H4 ASN A 122 38.274 45.529 26.441 1.00 0.11 H HETATM 1312 H1 ASN A 122 38.339 43.460 27.583 1.00 0.20 H HETATM 1313 H2 ASN A 122 39.688 42.992 26.764 1.00 0.20 H HETATM 1314 H3 ASN A 122 38.274 43.229 25.954 1.00 0.20 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 1212 1213 1312 1313 1314 CONECT 1213 1212 1214 1307 1311 CONECT 1214 1213 1215 1216 CONECT 1215 1214 CONECT 1216 1214 1217 1306 CONECT 1217 1216 1218 1301 1305 CONECT 1218 1217 1219 1220 CONECT 1219 1218 CONECT 1220 1218 1221 1300 CONECT 1221 1220 1222 1283 1299 CONECT 1222 1221 1223 1224 CONECT 1223 1222 CONECT 1224 1222 1225 1282 CONECT 1225 1224 1226 1270 1281 CONECT 1226 1225 1227 1228 CONECT 1227 1226 CONECT 1228 1226 1229 1269 CONECT 1229 1228 1230 1260 1268 CONECT 1230 1229 1231 1232 CONECT 1231 1230 CONECT 1232 1230 1233 1259 CONECT 1233 1232 1234 1253 1258 CONECT 1234 1233 1235 1236 CONECT 1235 1234 CONECT 1236 1234 1237 1252 CONECT 1237 1236 1238 1241 1251 CONECT 1238 1237 1239 1240 CONECT 1239 1238 CONECT 1240 1238 CONECT 1241 1237 1242 1246 1250 CONECT 1242 1241 1243 1244 1245 CONECT 1243 1242 CONECT 1244 1242 CONECT 1245 1242 CONECT 1246 1241 1247 1248 1249 CONECT 1247 1246 CONECT 1248 1246 CONECT 1249 1246 CONECT 1250 1241 CONECT 1251 1237 CONECT 1252 1236 CONECT 1253 1233 1254 1256 1257 CONECT 1254 1253 1255 CONECT 1255 1254 CONECT 1256 1253 CONECT 1257 1253 CONECT 1258 1233 CONECT 1259 1232 CONECT 1260 1229 1261 1263 1267 CONECT 1261 1260 1262 CONECT 1262 1261 CONECT 1263 1260 1264 1265 1266 CONECT 1264 1263 CONECT 1265 1263 CONECT 1266 1263 CONECT 1267 1260 CONECT 1268 1229 CONECT 1269 1228 CONECT 1270 1225 1271 1279 1280 CONECT 1271 1270 1272 1277 1278 CONECT 1272 1271 1273 1274 CONECT 1273 1272 CONECT 1274 1272 1275 1276 CONECT 1275 1274 CONECT 1276 1274 CONECT 1277 1271 CONECT 1278 1271 CONECT 1279 1270 CONECT 1280 1270 CONECT 1281 1225 CONECT 1282 1224 CONECT 1283 1221 1284 1297 1298 CONECT 1284 1283 1285 1295 1296 CONECT 1285 1284 1286 1293 1294 CONECT 1286 1285 1287 1291 1292 CONECT 1287 1286 1288 1289 1290 CONECT 1288 1287 CONECT 1289 1287 CONECT 1290 1287 CONECT 1291 1286 CONECT 1292 1286 CONECT 1293 1285 CONECT 1294 1285 CONECT 1295 1284 CONECT 1296 1284 CONECT 1297 1283 CONECT 1298 1283 CONECT 1299 1221 CONECT 1300 1220 CONECT 1301 1217 1302 1303 1304 CONECT 1302 1301 CONECT 1303 1301 CONECT 1304 1301 CONECT 1305 1217 CONECT 1306 1216 CONECT 1307 1213 1308 1309 1310 CONECT 1308 1307 CONECT 1309 1307 CONECT 1310 1307 CONECT 1311 1213 CONECT 1312 1212 CONECT 1313 1212 CONECT 1314 1212 MASTER 0 0 0 0 0 0 0 0 1313 1 107 10 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 5heb
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5hed
RCSB PDB
PDBbind
119aa, >5HED_1|Chain... at 100%
5hey
RCSB PDB
PDBbind
119aa, >5HEY_1|Chain... at 99%
5hf1
RCSB PDB
PDBbind
119aa, >5HF1_1|Chain... at 99%
5hfb
RCSB PDB
PDBbind
119aa, >5HFB_1|Chain... at 99%
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
RCSB PDB
PDBbind
9-mer
1f90
RCSB PDB
PDBbind
9-mer
1fzk
RCSB PDB
PDBbind
9-mer
1fzo
RCSB PDB
PDBbind
9-mer
1g3f
RCSB PDB
PDBbind
9-mer
1g7p
RCSB PDB
PDBbind
9-mer
1gux
RCSB PDB
PDBbind
9-mer
1gwq
RCSB PDB
PDBbind
9-mer
1h24
RCSB PDB
PDBbind
9-mer
1inq
RCSB PDB
PDBbind
9-mer
1jp5
RCSB PDB
PDBbind
9-mer
1juf
RCSB PDB
PDBbind
9-mer
1kl3
RCSB PDB
PDBbind
9-mer
1kl5
RCSB PDB
PDBbind
9-mer
1lb6
RCSB PDB
PDBbind
9-mer
1mfg
RCSB PDB
PDBbind
9-mer
1mpa
RCSB PDB
PDBbind
9-mer
1nlo
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
1prl
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
RCSB PDB
PDBbind
9-mer
1x7q
RCSB PDB
PDBbind
9-mer
1xr8
RCSB PDB
PDBbind
9-mer
1xr9
RCSB PDB
PDBbind
9-mer
1zea
RCSB PDB
PDBbind
9-mer
2bgn
RCSB PDB
PDBbind
9-mer
2bgr
RCSB PDB
PDBbind
9-mer
2e7l
RCSB PDB
PDBbind
9-mer
2gv2
RCSB PDB
PDBbind
9-mer
2h6q
RCSB PDB
PDBbind
9-mer
2hkf
RCSB PDB
PDBbind
9-mer
2jo9
RCSB PDB
PDBbind
9-mer
2jup
RCSB PDB
PDBbind
9-mer
2kgi
RCSB PDB
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
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
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
5heb
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
third PDZ domain from the synaptic protein PSD-95
Ligand Name
9-mer
EC.Number
E.C.-.-.-.-
Resolution
1.65(Å)
Affinity (Kd/Ki/IC50)
Kd=0.8uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Cell(Cambridge,Mass.) Vol. 166: pp. 1-13
Ligand Properties
Formula
C
2
9
H
5
5
N
9
O
1
1
Molecular Weight
705.801
Exact Mass
705.402
No. of atoms
104
No. of bonds
103
Polar Surface Area
350.73
LOGP Value
-5.74 (
Computed with XLOGP3
)
-3.62 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 11
No. of Hydrogen Bond Acceptors: 11
No. of Rotatable Bonds: 30
No. of Nitrogen and Oxygen Atoms: 20
No. of Rings: 0
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)[C@H](O)C)CCC(=O)N)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C)C
InChI String
InChI=1S/C29H53N9O11/c1-13(2)21(29(48)49)37-27(46)19(12-39)36-28(47)22(16(5)40)38-26(45)18(9-10-20(32)41)35-25(44)17(8-6-7-11-30)34-24(43)15(4)33-23(42)14(3)31/h13-19,21-22,39-40H,6-12,30-31H2,1-5H3,(H2,32,41)(H,33,42)(H,34,43)(H,35,44)(H,36,47)(H,37,46)(H,38,45)(H,48,49)/p+2/t14-,15-,16+,17-,18-,19-,21-,22-/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
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com
times since Nov 2007. 
娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓