Browse entries in the PDBbind-CN Database
HEADER 5A7C_COMPLEX COMPND 5A7C_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 112 MET GLY LYS LEU SER GLU HIS LEU ARG TYR CYS ASP SER SEQRES 2 A 112 ILE LEU ARG GLU MET LEU SER LYS LYS HIS ALA ALA TYR SEQRES 3 A 112 ALA TRP PRO PHE TYR LYS PRO VAL ASP ALA GLU ALA LEU SEQRES 4 A 112 GLU LEU HIS ASP TYR HIS ASP ILE ILE LYS HIS PRO MET SEQRES 5 A 112 ASP LEU SER THR VAL LYS ARG LYS MET ASP GLY ARG GLU SEQRES 6 A 112 TYR PRO ASP ALA GLN GLY PHE ALA ALA ASP VAL ARG LEU SEQRES 7 A 112 MET PHE SER ASN CYS TYR LYS TYR ASN PRO PRO ASP HIS SEQRES 8 A 112 GLU VAL VAL ALA MET ALA ARG LYS LEU GLN ASP VAL PHE SEQRES 9 A 112 GLU MET ARG PHE ALA LYS MET PRO HET UNN A 219 34 ATOM 1 N MET A 305 4.674 -19.483 7.413 1.00 32.30 N ATOM 2 CA MET A 305 4.473 -18.752 8.726 1.00 29.25 C ATOM 3 C MET A 305 5.183 -17.394 8.738 1.00 31.10 C ATOM 4 O MET A 305 6.238 -17.229 8.128 1.00 30.49 O ATOM 5 CB MET A 305 4.919 -19.545 9.998 1.00 27.50 C ATOM 6 CG MET A 305 4.195 -20.864 10.282 1.00 27.24 C ATOM 7 SD MET A 305 2.370 -20.807 10.330 1.00 23.93 S ATOM 8 CE MET A 305 2.104 -19.815 11.766 1.00 26.75 C ATOM 9 HN3 MET A 305 5.690 -19.644 7.259 1.00 0.00 H ATOM 10 HN2 MET A 305 4.292 -18.908 6.635 1.00 0.00 H ATOM 11 HN1 MET A 305 4.178 -20.396 7.447 1.00 0.00 H ATOM 12 N GLY A 306 4.586 -16.443 9.463 1.00 29.80 N ATOM 13 CA GLY A 306 5.117 -15.093 9.636 1.00 33.84 C ATOM 14 C GLY A 306 6.448 -15.099 10.354 1.00 33.44 C ATOM 15 O GLY A 306 6.810 -16.080 11.002 1.00 33.39 O ATOM 16 H GLY A 306 3.689 -16.678 9.933 1.00 0.00 H ATOM 17 N LYS A 307 7.195 -14.023 10.180 1.00 35.09 N ATOM 18 CA LYS A 307 8.430 -13.841 10.880 1.00 35.30 C ATOM 19 C LYS A 307 8.156 -13.714 12.405 1.00 33.00 C ATOM 20 O LYS A 307 7.149 -13.113 12.825 1.00 31.83 O ATOM 21 CB LYS A 307 9.114 -12.594 10.360 1.00 40.27 C ATOM 22 CG LYS A 307 10.598 -12.556 10.642 1.00 44.90 C ATOM 23 CD LYS A 307 11.174 -11.218 10.213 1.00 49.07 C ATOM 24 CE LYS A 307 12.599 -11.363 9.738 1.00 49.22 C ATOM 25 NZ LYS A 307 13.244 -10.028 9.671 1.00 51.79 N ATOM 26 HZ1 LYS A 307 12.719 -9.424 9.007 1.00 0.00 H ATOM 27 HZ2 LYS A 307 13.238 -9.594 10.616 1.00 0.00 H ATOM 28 HZ3 LYS A 307 14.225 -10.134 9.343 1.00 0.00 H ATOM 29 H LYS A 307 6.877 -13.288 9.516 1.00 0.00 H ATOM 30 N LEU A 308 9.046 -14.304 13.209 1.00 26.85 N ATOM 31 CA LEU A 308 9.037 -14.090 14.649 1.00 24.03 C ATOM 32 C LEU A 308 9.376 -12.637 14.985 1.00 23.08 C ATOM 33 O LEU A 308 10.151 -12.015 14.272 1.00 22.79 O ATOM 34 CB LEU A 308 10.077 -14.989 15.323 1.00 23.18 C ATOM 35 CG LEU A 308 9.849 -16.498 15.299 1.00 22.20 C ATOM 36 CD1 LEU A 308 11.116 -17.236 15.722 1.00 20.60 C ATOM 37 CD2 LEU A 308 8.651 -16.896 16.174 1.00 21.63 C ATOM 38 H LEU A 308 9.764 -14.932 12.795 1.00 0.00 H ATOM 39 N SER A 309 8.820 -12.121 16.083 1.00 20.67 N ATOM 40 CA SER A 309 9.208 -10.832 16.627 1.00 19.47 C ATOM 41 C SER A 309 10.681 -10.868 17.072 1.00 19.18 C ATOM 42 O SER A 309 11.283 -11.939 17.206 1.00 18.11 O ATOM 43 CB SER A 309 8.332 -10.471 17.826 1.00 20.07 C ATOM 44 OG SER A 309 8.689 -11.219 19.006 1.00 20.74 O ATOM 45 HG SER A 309 8.098 -10.954 19.755 1.00 0.00 H ATOM 46 H SER A 309 8.078 -12.665 16.569 1.00 0.00 H ATOM 47 N GLU A 310 11.237 -9.695 17.336 1.00 17.97 N ATOM 48 CA GLU A 310 12.653 -9.591 17.707 1.00 19.27 C ATOM 49 C GLU A 310 12.973 -10.449 18.933 1.00 16.78 C ATOM 50 O GLU A 310 13.961 -11.205 18.954 1.00 14.85 O ATOM 51 CB GLU A 310 13.004 -8.141 17.957 1.00 21.99 C ATOM 52 CG GLU A 310 14.475 -7.855 18.153 1.00 29.22 C ATOM 53 CD GLU A 310 14.745 -6.404 18.615 1.00 31.74 C ATOM 54 OE1 GLU A 310 13.951 -5.515 18.263 1.00 34.42 O ATOM 55 OE2 GLU A 310 15.763 -6.176 19.307 1.00 38.33 O ATOM 56 H GLU A 310 10.659 -8.832 17.279 1.00 0.00 H ATOM 57 N HIS A 311 12.157 -10.297 19.970 1.00 17.72 N ATOM 58 CA HIS A 311 12.382 -11.052 21.205 1.00 20.66 C ATOM 59 C HIS A 311 12.316 -12.556 20.937 1.00 18.26 C ATOM 60 O HIS A 311 13.103 -13.347 21.477 1.00 16.90 O ATOM 61 CB HIS A 311 11.355 -10.654 22.288 1.00 22.35 C ATOM 62 CG HIS A 311 11.626 -9.347 22.962 1.00 24.46 C ATOM 63 ND1 HIS A 311 12.842 -8.692 22.926 1.00 26.18 N ATOM 64 CD2 HIS A 311 10.818 -8.583 23.734 1.00 27.78 C ATOM 65 CE1 HIS A 311 12.771 -7.592 23.649 1.00 25.87 C ATOM 66 NE2 HIS A 311 11.559 -7.504 24.154 1.00 25.91 N ATOM 67 H HIS A 311 11.354 -9.639 19.905 1.00 0.00 H ATOM 68 N LEU A 312 11.367 -12.955 20.101 1.00 16.29 N ATOM 69 CA LEU A 312 11.205 -14.377 19.819 1.00 16.36 C ATOM 70 C LEU A 312 12.276 -14.954 18.923 1.00 15.16 C ATOM 71 O LEU A 312 12.560 -16.162 18.975 1.00 15.61 O ATOM 72 CB LEU A 312 9.789 -14.700 19.297 1.00 16.73 C ATOM 73 CG LEU A 312 8.728 -14.604 20.397 1.00 18.05 C ATOM 74 CD1 LEU A 312 7.357 -14.518 19.738 1.00 19.36 C ATOM 75 CD2 LEU A 312 8.797 -15.820 21.330 1.00 18.71 C ATOM 76 H LEU A 312 10.742 -12.258 19.649 1.00 0.00 H ATOM 77 N ARG A 313 12.854 -14.140 18.065 1.00 15.26 N ATOM 78 CA ARG A 313 14.038 -14.596 17.284 1.00 15.93 C ATOM 79 C ARG A 313 15.179 -14.912 18.264 1.00 13.30 C ATOM 80 O ARG A 313 15.844 -15.926 18.137 1.00 13.22 O ATOM 81 CB ARG A 313 14.508 -13.527 16.249 1.00 17.28 C ATOM 82 CG ARG A 313 13.537 -13.357 15.076 1.00 21.12 C ATOM 83 CD ARG A 313 14.106 -12.543 13.895 1.00 23.70 C ATOM 84 NE ARG A 313 14.450 -11.146 14.236 1.00 25.57 N ATOM 85 CZ ARG A 313 13.624 -10.089 14.177 1.00 26.74 C ATOM 86 NH1 ARG A 313 12.333 -10.201 13.829 1.00 25.51 N ATOM 87 NH2 ARG A 313 14.100 -8.883 14.469 1.00 28.82 N ATOM 88 HE ARG A 313 15.424 -10.965 14.552 1.00 0.00 H ATOM 89 HH12 ARG A 313 11.728 -9.356 13.796 1.00 0.00 H ATOM 90 HH11 ARG A 313 11.937 -11.133 13.592 1.00 0.00 H ATOM 91 HH22 ARG A 313 13.474 -8.053 14.428 1.00 0.00 H ATOM 92 HH21 ARG A 313 15.098 -8.769 14.738 1.00 0.00 H ATOM 93 H ARG A 313 12.484 -13.177 17.932 1.00 0.00 H ATOM 94 N TYR A 314 15.361 -14.063 19.264 1.00 12.38 N ATOM 95 CA TYR A 314 16.346 -14.355 20.328 1.00 11.88 C ATOM 96 C TYR A 314 16.012 -15.659 21.076 1.00 11.16 C ATOM 97 O TYR A 314 16.868 -16.494 21.309 1.00 10.07 O ATOM 98 CB TYR A 314 16.456 -13.166 21.291 1.00 11.39 C ATOM 99 CG TYR A 314 17.545 -13.317 22.268 1.00 11.28 C ATOM 100 CD1 TYR A 314 18.852 -12.999 21.956 1.00 11.44 C ATOM 101 CD2 TYR A 314 17.280 -13.836 23.530 1.00 11.93 C ATOM 102 CE1 TYR A 314 19.863 -13.187 22.896 1.00 12.03 C ATOM 103 CE2 TYR A 314 18.285 -14.020 24.483 1.00 12.21 C ATOM 104 CZ TYR A 314 19.576 -13.690 24.190 1.00 11.51 C ATOM 105 OH TYR A 314 20.524 -13.872 25.170 1.00 11.83 O ATOM 106 HH TYR A 314 21.410 -13.595 24.826 1.00 0.00 H ATOM 107 H TYR A 314 14.807 -13.184 19.301 1.00 0.00 H ATOM 108 N CYS A 315 14.762 -15.807 21.503 1.00 11.47 N ATOM 109 CA CYS A 315 14.294 -17.066 22.148 1.00 11.42 C ATOM 110 C CYS A 315 14.536 -18.315 21.260 1.00 11.70 C ATOM 111 O CYS A 315 14.946 -19.358 21.735 1.00 10.56 O ATOM 112 CB CYS A 315 12.795 -16.975 22.522 1.00 12.21 C ATOM 113 SG CYS A 315 12.482 -15.765 23.846 1.00 13.41 S ATOM 114 H CYS A 315 14.091 -15.021 21.383 1.00 0.00 H ATOM 115 N ASP A 316 14.295 -18.188 19.949 1.00 11.78 N ATOM 116 CA ASP A 316 14.535 -19.286 19.045 1.00 12.98 C ATOM 117 C ASP A 316 16.002 -19.657 19.090 1.00 12.48 C ATOM 118 O ASP A 316 16.351 -20.832 19.058 1.00 12.39 O ATOM 119 CB ASP A 316 14.076 -18.940 17.624 1.00 14.87 C ATOM 120 CG ASP A 316 13.992 -20.182 16.731 1.00 17.53 C ATOM 121 OD1 ASP A 316 13.262 -21.151 17.054 1.00 21.06 O ATOM 122 OD2 ASP A 316 14.660 -20.188 15.725 1.00 18.83 O ATOM 123 H ASP A 316 13.931 -17.287 19.578 1.00 0.00 H ATOM 124 N SER A 317 16.859 -18.640 19.183 1.00 12.30 N ATOM 125 CA SER A 317 18.307 -18.858 19.321 1.00 12.99 C ATOM 126 C SER A 317 18.648 -19.601 20.610 1.00 11.74 C ATOM 127 O SER A 317 19.478 -20.487 20.598 1.00 11.27 O ATOM 128 CB SER A 317 19.042 -17.537 19.290 1.00 15.17 C ATOM 129 OG SER A 317 20.423 -17.814 19.279 1.00 20.13 O ATOM 130 HG SER A 317 20.644 -18.350 18.477 1.00 0.00 H ATOM 131 H SER A 317 16.494 -17.667 19.157 1.00 0.00 H ATOM 132 N ILE A 318 17.998 -19.265 21.705 1.00 10.43 N ATOM 133 CA ILE A 318 18.184 -20.010 22.965 1.00 10.83 C ATOM 134 C ILE A 318 17.761 -21.485 22.794 1.00 10.77 C ATOM 135 O ILE A 318 18.465 -22.408 23.216 1.00 9.70 O ATOM 136 CB ILE A 318 17.345 -19.410 24.122 1.00 10.86 C ATOM 137 CG1 ILE A 318 17.682 -17.931 24.379 1.00 11.52 C ATOM 138 CG2 ILE A 318 17.636 -20.180 25.401 1.00 11.66 C ATOM 139 CD1 ILE A 318 16.733 -17.274 25.330 1.00 12.10 C ATOM 140 H ILE A 318 17.341 -18.459 21.681 1.00 0.00 H ATOM 141 N LEU A 319 16.584 -21.682 22.169 1.00 11.62 N ATOM 142 CA LEU A 319 16.084 -23.043 21.886 1.00 12.93 C ATOM 143 C LEU A 319 17.087 -23.882 21.067 1.00 12.71 C ATOM 144 O LEU A 319 17.376 -25.043 21.390 1.00 12.42 O ATOM 145 CB LEU A 319 14.727 -22.987 21.202 1.00 13.47 C ATOM 146 CG LEU A 319 14.095 -24.321 20.825 1.00 13.78 C ATOM 147 CD1 LEU A 319 13.894 -25.211 22.084 1.00 14.53 C ATOM 148 CD2 LEU A 319 12.823 -24.009 20.099 1.00 13.78 C ATOM 149 H LEU A 319 16.016 -20.860 21.880 1.00 0.00 H ATOM 150 N ARG A 320 17.627 -23.278 20.014 1.00 13.93 N ATOM 151 CA ARG A 320 18.573 -23.999 19.168 1.00 14.83 C ATOM 152 C ARG A 320 19.877 -24.289 19.931 1.00 13.57 C ATOM 153 O ARG A 320 20.401 -25.374 19.820 1.00 13.14 O ATOM 154 CB ARG A 320 18.687 -23.343 17.777 1.00 18.23 C ATOM 155 CG ARG A 320 17.481 -23.694 16.944 1.00 20.00 C ATOM 156 CD ARG A 320 17.285 -22.617 15.904 1.00 27.03 C ATOM 157 NE ARG A 320 16.125 -22.950 15.120 1.00 34.71 N ATOM 158 CZ ARG A 320 16.113 -23.922 14.212 1.00 38.87 C ATOM 159 NH1 ARG A 320 17.194 -24.679 13.969 1.00 35.07 N ATOM 160 NH2 ARG A 320 14.980 -24.149 13.569 1.00 47.14 N ATOM 161 HE ARG A 320 15.253 -22.404 15.271 1.00 0.00 H ATOM 162 HH12 ARG A 320 17.152 -25.431 13.252 1.00 0.00 H ATOM 163 HH11 ARG A 320 18.074 -24.513 14.498 1.00 0.00 H ATOM 164 HH22 ARG A 320 14.931 -24.900 12.852 1.00 0.00 H ATOM 165 HH21 ARG A 320 14.138 -23.576 13.781 1.00 0.00 H ATOM 166 H ARG A 320 17.376 -22.293 19.793 1.00 0.00 H ATOM 167 N GLU A 321 20.317 -23.386 20.793 1.00 12.38 N ATOM 168 CA GLU A 321 21.471 -23.670 21.631 1.00 11.75 C ATOM 169 C GLU A 321 21.171 -24.843 22.584 1.00 12.16 C ATOM 170 O GLU A 321 22.016 -25.716 22.714 1.00 13.95 O ATOM 171 CB GLU A 321 21.921 -22.412 22.414 1.00 12.47 C ATOM 172 CG GLU A 321 23.009 -22.762 23.402 1.00 12.34 C ATOM 173 CD GLU A 321 23.723 -21.629 24.002 1.00 12.36 C ATOM 174 OE1 GLU A 321 23.339 -20.444 23.785 1.00 14.07 O ATOM 175 OE2 GLU A 321 24.733 -21.934 24.695 1.00 11.24 O ATOM 176 H GLU A 321 19.835 -22.468 20.871 1.00 0.00 H ATOM 177 N MET A 322 19.995 -24.857 23.227 1.00 10.54 N ATOM 178 CA MET A 322 19.631 -25.930 24.150 1.00 10.65 C ATOM 179 C MET A 322 19.568 -27.336 23.474 1.00 10.44 C ATOM 180 O MET A 322 19.893 -28.301 24.089 1.00 9.93 O ATOM 181 CB MET A 322 18.353 -25.629 24.868 1.00 10.01 C ATOM 182 CG MET A 322 18.502 -24.524 25.910 1.00 10.40 C ATOM 183 SD MET A 322 17.021 -24.446 26.947 1.00 11.20 S ATOM 184 CE MET A 322 15.839 -23.755 25.825 1.00 11.11 C ATOM 185 H MET A 322 19.322 -24.081 23.064 1.00 0.00 H ATOM 186 N LEU A 323 19.282 -27.357 22.177 1.00 10.99 N ATOM 187 CA LEU A 323 19.314 -28.534 21.365 1.00 12.44 C ATOM 188 C LEU A 323 20.631 -28.817 20.656 1.00 14.27 C ATOM 189 O LEU A 323 20.765 -29.875 19.998 1.00 16.27 O ATOM 190 CB LEU A 323 18.252 -28.434 20.265 1.00 12.68 C ATOM 191 CG LEU A 323 16.819 -28.537 20.788 1.00 12.93 C ATOM 192 CD1 LEU A 323 15.854 -27.912 19.790 1.00 12.86 C ATOM 193 CD2 LEU A 323 16.438 -29.987 21.015 1.00 14.44 C ATOM 194 H LEU A 323 19.018 -26.460 21.723 1.00 0.00 H ATOM 195 N SER A 324 21.637 -27.990 20.843 1.00 15.04 N ATOM 196 CA SER A 324 22.868 -28.141 20.097 1.00 15.35 C ATOM 197 C SER A 324 23.837 -29.157 20.745 1.00 17.00 C ATOM 198 O SER A 324 23.754 -29.460 21.961 1.00 16.54 O ATOM 199 CB SER A 324 23.575 -26.786 19.982 1.00 14.38 C ATOM 200 OG SER A 324 24.127 -26.377 21.210 1.00 14.68 O ATOM 201 HG SER A 324 23.406 -26.295 21.884 1.00 0.00 H ATOM 202 H SER A 324 21.547 -27.219 21.535 1.00 0.00 H ATOM 203 N LYS A 325 24.828 -29.587 19.955 1.00 17.60 N ATOM 204 CA LYS A 325 25.837 -30.538 20.445 1.00 21.48 C ATOM 205 C LYS A 325 26.548 -30.075 21.682 1.00 18.98 C ATOM 206 O LYS A 325 26.922 -30.892 22.525 1.00 19.19 O ATOM 207 CB LYS A 325 26.925 -30.794 19.378 1.00 27.81 C ATOM 208 CG LYS A 325 26.542 -31.880 18.418 1.00 34.87 C ATOM 209 CD LYS A 325 27.766 -32.341 17.642 1.00 44.30 C ATOM 210 CE LYS A 325 27.340 -33.241 16.496 1.00 52.30 C ATOM 211 NZ LYS A 325 26.566 -32.516 15.441 1.00 58.69 N ATOM 212 HZ1 LYS A 325 25.706 -32.110 15.861 1.00 0.00 H ATOM 213 HZ2 LYS A 325 27.153 -31.754 15.044 1.00 0.00 H ATOM 214 HZ3 LYS A 325 26.303 -33.182 14.686 1.00 0.00 H ATOM 215 H LYS A 325 24.886 -29.242 18.976 1.00 0.00 H ATOM 216 N LYS A 326 26.798 -28.776 21.765 1.00 18.86 N ATOM 217 CA LYS A 326 27.479 -28.170 22.880 1.00 20.14 C ATOM 218 C LYS A 326 26.905 -28.632 24.236 1.00 18.14 C ATOM 219 O LYS A 326 27.656 -28.853 25.167 1.00 17.27 O ATOM 220 CB LYS A 326 27.391 -26.645 22.766 1.00 24.00 C ATOM 221 CG LYS A 326 28.210 -25.872 23.778 1.00 30.37 C ATOM 222 CD LYS A 326 28.280 -24.391 23.402 1.00 37.74 C ATOM 223 CE LYS A 326 29.446 -23.662 24.064 1.00 45.52 C ATOM 224 NZ LYS A 326 29.182 -23.272 25.474 1.00 50.81 N ATOM 225 HZ1 LYS A 326 28.359 -22.637 25.509 1.00 0.00 H ATOM 226 HZ2 LYS A 326 28.988 -24.124 26.038 1.00 0.00 H ATOM 227 HZ3 LYS A 326 30.015 -22.783 25.859 1.00 0.00 H ATOM 228 H LYS A 326 26.486 -28.163 20.985 1.00 0.00 H ATOM 229 N HIS A 327 25.584 -28.778 24.344 1.00 16.19 N ATOM 230 CA HIS A 327 24.936 -29.104 25.639 1.00 15.07 C ATOM 231 C HIS A 327 24.326 -30.523 25.698 1.00 14.20 C ATOM 232 O HIS A 327 23.602 -30.842 26.649 1.00 12.65 O ATOM 233 CB HIS A 327 23.868 -28.043 25.935 1.00 13.52 C ATOM 234 CG HIS A 327 24.400 -26.647 25.962 1.00 13.89 C ATOM 235 ND1 HIS A 327 25.271 -26.198 26.937 1.00 13.27 N ATOM 236 CD2 HIS A 327 24.143 -25.580 25.182 1.00 13.09 C ATOM 237 CE1 HIS A 327 25.563 -24.936 26.716 1.00 13.01 C ATOM 238 NE2 HIS A 327 24.864 -24.527 25.680 1.00 13.45 N ATOM 239 H HIS A 327 24.991 -28.660 23.498 1.00 0.00 H ATOM 240 N ALA A 328 24.601 -31.346 24.677 1.00 14.31 N ATOM 241 CA ALA A 328 23.963 -32.669 24.521 1.00 14.99 C ATOM 242 C ALA A 328 24.232 -33.598 25.700 1.00 16.95 C ATOM 243 O ALA A 328 23.349 -34.349 26.061 1.00 18.55 O ATOM 244 CB ALA A 328 24.378 -33.339 23.242 1.00 14.81 C ATOM 245 H ALA A 328 25.293 -31.040 23.964 1.00 0.00 H ATOM 246 N ALA A 329 25.403 -33.499 26.357 1.00 16.64 N ATOM 247 CA ALA A 329 25.698 -34.384 27.496 1.00 17.80 C ATOM 248 C ALA A 329 24.673 -34.286 28.618 1.00 16.99 C ATOM 249 O ALA A 329 24.492 -35.249 29.372 1.00 16.75 O ATOM 250 CB ALA A 329 27.084 -34.127 28.063 1.00 19.40 C ATOM 251 H ALA A 329 26.105 -32.792 26.058 1.00 0.00 H ATOM 252 N TYR A 330 24.054 -33.120 28.773 1.00 15.97 N ATOM 253 CA TYR A 330 23.061 -32.932 29.837 1.00 15.89 C ATOM 254 C TYR A 330 21.693 -32.587 29.312 1.00 14.57 C ATOM 255 O TYR A 330 20.729 -32.686 30.075 1.00 14.85 O ATOM 256 CB TYR A 330 23.531 -31.930 30.937 1.00 14.88 C ATOM 257 CG TYR A 330 24.256 -30.743 30.410 1.00 16.05 C ATOM 258 CD1 TYR A 330 25.633 -30.810 30.173 1.00 17.10 C ATOM 259 CD2 TYR A 330 23.590 -29.547 30.091 1.00 15.98 C ATOM 260 CE1 TYR A 330 26.320 -29.718 29.681 1.00 17.30 C ATOM 261 CE2 TYR A 330 24.288 -28.465 29.581 1.00 16.53 C ATOM 262 CZ TYR A 330 25.654 -28.567 29.403 1.00 16.07 C ATOM 263 OH TYR A 330 26.396 -27.513 28.905 1.00 16.38 O ATOM 264 HH TYR A 330 27.348 -27.778 28.851 1.00 0.00 H ATOM 265 H TYR A 330 24.276 -32.331 28.132 1.00 0.00 H ATOM 266 N ALA A 331 21.564 -32.192 28.057 1.00 13.11 N ATOM 267 CA ALA A 331 20.278 -31.809 27.499 1.00 12.08 C ATOM 268 C ALA A 331 19.464 -32.994 26.954 1.00 12.35 C ATOM 269 O ALA A 331 18.229 -32.896 26.868 1.00 11.86 O ATOM 270 CB ALA A 331 20.447 -30.770 26.394 1.00 13.11 C ATOM 271 H ALA A 331 22.408 -32.154 27.451 1.00 0.00 H ATOM 272 N TRP A 332 20.106 -34.107 26.622 1.00 11.42 N ATOM 273 CA TRP A 332 19.383 -35.190 25.915 1.00 11.70 C ATOM 274 C TRP A 332 18.099 -35.678 26.602 1.00 10.86 C ATOM 275 O TRP A 332 17.183 -36.012 25.912 1.00 10.00 O ATOM 276 CB TRP A 332 20.327 -36.356 25.546 1.00 11.99 C ATOM 277 CG TRP A 332 20.878 -37.178 26.697 1.00 12.56 C ATOM 278 CD1 TRP A 332 22.110 -37.092 27.213 1.00 12.83 C ATOM 279 CD2 TRP A 332 20.214 -38.235 27.423 1.00 12.79 C ATOM 280 NE1 TRP A 332 22.259 -37.995 28.219 1.00 13.06 N ATOM 281 CE2 TRP A 332 21.127 -38.741 28.344 1.00 12.92 C ATOM 282 CE3 TRP A 332 18.972 -38.848 27.315 1.00 13.00 C ATOM 283 CZ2 TRP A 332 20.818 -39.819 29.249 1.00 14.19 C ATOM 284 CZ3 TRP A 332 18.645 -39.885 28.209 1.00 13.35 C ATOM 285 CH2 TRP A 332 19.591 -40.380 29.156 1.00 14.44 C ATOM 286 HE1 TRP A 332 23.111 -38.100 28.806 1.00 0.00 H ATOM 287 H TRP A 332 21.113 -34.219 26.857 1.00 0.00 H ATOM 288 N PRO A 333 18.008 -35.603 27.940 1.00 10.63 N ATOM 289 CA PRO A 333 16.778 -36.123 28.529 1.00 11.28 C ATOM 290 C PRO A 333 15.517 -35.275 28.272 1.00 11.21 C ATOM 291 O PRO A 333 14.430 -35.777 28.416 1.00 11.10 O ATOM 292 CB PRO A 333 17.094 -36.174 30.028 1.00 11.10 C ATOM 293 CG PRO A 333 18.585 -36.284 30.108 1.00 10.73 C ATOM 294 CD PRO A 333 19.067 -35.441 28.971 1.00 10.62 C ATOM 295 N PHE A 334 15.710 -34.076 27.756 1.00 11.27 N ATOM 296 CA PHE A 334 14.672 -33.143 27.468 1.00 11.61 C ATOM 297 C PHE A 334 14.352 -33.018 25.983 1.00 11.99 C ATOM 298 O PHE A 334 13.519 -32.223 25.617 1.00 10.38 O ATOM 299 CB PHE A 334 15.107 -31.826 28.087 1.00 12.23 C ATOM 300 CG PHE A 334 15.570 -32.006 29.488 1.00 13.77 C ATOM 301 CD1 PHE A 334 14.638 -32.266 30.494 1.00 13.78 C ATOM 302 CD2 PHE A 334 16.925 -32.016 29.809 1.00 14.43 C ATOM 303 CE1 PHE A 334 15.085 -32.471 31.786 1.00 15.01 C ATOM 304 CE2 PHE A 334 17.362 -32.260 31.100 1.00 15.34 C ATOM 305 CZ PHE A 334 16.439 -32.518 32.089 1.00 15.02 C ATOM 306 H PHE A 334 16.688 -33.792 27.545 1.00 0.00 H ATOM 307 N TYR A 335 15.008 -33.834 25.146 1.00 13.37 N ATOM 308 CA TYR A 335 14.825 -33.730 23.689 1.00 13.71 C ATOM 309 C TYR A 335 13.413 -34.086 23.239 1.00 14.07 C ATOM 310 O TYR A 335 12.898 -33.461 22.316 1.00 13.13 O ATOM 311 CB TYR A 335 15.824 -34.610 22.933 1.00 13.40 C ATOM 312 CG TYR A 335 17.269 -34.095 22.888 1.00 13.69 C ATOM 313 CD1 TYR A 335 17.628 -32.829 23.359 1.00 13.22 C ATOM 314 CD2 TYR A 335 18.286 -34.898 22.331 1.00 13.47 C ATOM 315 CE1 TYR A 335 18.928 -32.373 23.270 1.00 14.42 C ATOM 316 CE2 TYR A 335 19.602 -34.456 22.256 1.00 13.02 C ATOM 317 CZ TYR A 335 19.912 -33.190 22.703 1.00 14.29 C ATOM 318 OH TYR A 335 21.197 -32.714 22.614 1.00 15.63 O ATOM 319 HH TYR A 335 21.233 -31.795 22.980 1.00 0.00 H ATOM 320 H TYR A 335 15.655 -34.551 25.531 1.00 0.00 H ATOM 321 N LYS A 336 12.799 -35.071 23.902 1.00 13.59 N ATOM 322 CA LYS A 336 11.466 -35.546 23.504 1.00 14.88 C ATOM 323 C LYS A 336 10.595 -35.740 24.710 1.00 13.73 C ATOM 324 O LYS A 336 11.107 -35.836 25.814 1.00 13.42 O ATOM 325 CB LYS A 336 11.611 -36.855 22.748 1.00 16.67 C ATOM 326 CG LYS A 336 12.079 -36.607 21.325 1.00 21.19 C ATOM 327 CD LYS A 336 12.685 -37.830 20.712 1.00 24.97 C ATOM 328 CE LYS A 336 13.162 -37.508 19.310 1.00 30.41 C ATOM 329 NZ LYS A 336 13.393 -38.800 18.606 1.00 33.49 N ATOM 330 HZ1 LYS A 336 14.113 -39.348 19.118 1.00 0.00 H ATOM 331 HZ2 LYS A 336 12.504 -39.339 18.573 1.00 0.00 H ATOM 332 HZ3 LYS A 336 13.722 -38.612 17.638 1.00 0.00 H ATOM 333 H LYS A 336 13.274 -35.510 24.716 1.00 0.00 H ATOM 334 N PRO A 337 9.302 -35.894 24.494 1.00 13.65 N ATOM 335 CA PRO A 337 8.440 -36.183 25.645 1.00 14.62 C ATOM 336 C PRO A 337 8.908 -37.440 26.422 1.00 15.47 C ATOM 337 O PRO A 337 9.271 -38.424 25.815 1.00 14.72 O ATOM 338 CB PRO A 337 7.062 -36.416 25.005 1.00 14.74 C ATOM 339 CG PRO A 337 7.126 -35.679 23.674 1.00 14.50 C ATOM 340 CD PRO A 337 8.548 -35.785 23.231 1.00 13.53 C ATOM 341 N VAL A 338 8.869 -37.366 27.748 1.00 15.12 N ATOM 342 CA VAL A 338 9.097 -38.505 28.609 1.00 15.15 C ATOM 343 C VAL A 338 8.148 -39.615 28.185 1.00 17.76 C ATOM 344 O VAL A 338 6.916 -39.387 28.043 1.00 20.09 O ATOM 345 CB VAL A 338 8.850 -38.113 30.075 1.00 14.69 C ATOM 346 CG1 VAL A 338 8.879 -39.331 31.028 1.00 13.03 C ATOM 347 CG2 VAL A 338 9.884 -37.068 30.485 1.00 14.49 C ATOM 348 H VAL A 338 8.665 -36.446 28.187 1.00 0.00 H ATOM 349 N ASP A 339 8.703 -40.793 27.867 1.00 18.54 N ATOM 350 CA ASP A 339 7.869 -41.930 27.410 1.00 21.23 C ATOM 351 C ASP A 339 7.673 -42.802 28.645 1.00 19.62 C ATOM 352 O ASP A 339 8.521 -43.617 28.985 1.00 19.11 O ATOM 353 CB ASP A 339 8.522 -42.687 26.246 1.00 22.78 C ATOM 354 CG ASP A 339 7.671 -43.854 25.746 1.00 25.94 C ATOM 355 OD1 ASP A 339 6.881 -44.455 26.497 1.00 28.71 O ATOM 356 OD2 ASP A 339 7.770 -44.149 24.552 1.00 31.95 O ATOM 357 H ASP A 339 9.734 -40.911 27.942 1.00 0.00 H ATOM 358 N ALA A 340 6.566 -42.594 29.348 1.00 18.71 N ATOM 359 CA ALA A 340 6.384 -43.216 30.643 1.00 18.94 C ATOM 360 C ALA A 340 6.214 -44.766 30.566 1.00 21.30 C ATOM 361 O ALA A 340 6.769 -45.473 31.406 1.00 22.40 O ATOM 362 CB ALA A 340 5.192 -42.585 31.337 1.00 18.58 C ATOM 363 H ALA A 340 5.821 -41.978 28.964 1.00 0.00 H ATOM 364 N GLU A 341 5.524 -45.255 29.532 1.00 27.02 N ATOM 365 CA GLU A 341 5.387 -46.716 29.307 1.00 33.67 C ATOM 366 C GLU A 341 6.760 -47.306 29.048 1.00 28.42 C ATOM 367 O GLU A 341 7.193 -48.144 29.817 1.00 27.67 O ATOM 368 CB GLU A 341 4.328 -47.132 28.238 1.00 38.61 C ATOM 369 CG GLU A 341 4.267 -46.323 26.970 1.00 46.83 C ATOM 370 CD GLU A 341 3.444 -45.027 27.073 1.00 55.77 C ATOM 371 OE1 GLU A 341 4.037 -44.016 27.549 1.00 56.78 O ATOM 372 OE2 GLU A 341 2.235 -44.994 26.677 1.00 58.18 O ATOM 373 H GLU A 341 5.071 -44.595 28.868 1.00 0.00 H ATOM 374 N ALA A 342 7.499 -46.782 28.070 1.00 28.62 N ATOM 375 CA ALA A 342 8.845 -47.330 27.728 1.00 27.94 C ATOM 376 C ALA A 342 9.818 -47.359 28.897 1.00 29.53 C ATOM 377 O ALA A 342 10.643 -48.273 29.025 1.00 30.33 O ATOM 378 CB ALA A 342 9.471 -46.563 26.570 1.00 28.11 C ATOM 379 H ALA A 342 7.129 -45.972 27.532 1.00 0.00 H ATOM 380 N LEU A 343 9.743 -46.347 29.765 1.00 28.53 N ATOM 381 CA LEU A 343 10.626 -46.245 30.918 1.00 27.82 C ATOM 382 C LEU A 343 10.066 -46.886 32.193 1.00 25.38 C ATOM 383 O LEU A 343 10.725 -46.814 33.231 1.00 27.33 O ATOM 384 CB LEU A 343 10.975 -44.751 31.159 1.00 30.38 C ATOM 385 CG LEU A 343 11.695 -44.011 30.016 1.00 32.04 C ATOM 386 CD1 LEU A 343 11.911 -42.517 30.308 1.00 29.43 C ATOM 387 CD2 LEU A 343 13.025 -44.711 29.721 1.00 31.61 C ATOM 388 H LEU A 343 9.029 -45.606 29.612 1.00 0.00 H ATOM 389 N GLU A 344 8.824 -47.347 32.138 1.00 24.85 N ATOM 390 CA GLU A 344 8.125 -47.944 33.280 1.00 27.60 C ATOM 391 C GLU A 344 7.938 -46.972 34.442 1.00 26.14 C ATOM 392 O GLU A 344 8.217 -47.307 35.610 1.00 28.31 O ATOM 393 CB GLU A 344 8.844 -49.240 33.715 1.00 28.87 C ATOM 394 CG GLU A 344 8.738 -50.323 32.685 1.00 32.06 C ATOM 395 CD GLU A 344 9.496 -51.589 33.064 1.00 35.63 C ATOM 396 OE1 GLU A 344 9.879 -51.967 34.230 1.00 34.38 O ATOM 397 OE2 GLU A 344 9.726 -52.223 32.061 1.00 40.13 O ATOM 398 H GLU A 344 8.317 -47.281 31.233 1.00 0.00 H ATOM 399 N LEU A 345 7.552 -45.743 34.108 1.00 22.92 N ATOM 400 CA LEU A 345 7.377 -44.674 35.103 1.00 21.87 C ATOM 401 C LEU A 345 5.899 -44.619 35.260 1.00 22.52 C ATOM 402 O LEU A 345 5.234 -43.776 34.645 1.00 21.49 O ATOM 403 CB LEU A 345 7.945 -43.375 34.574 1.00 20.93 C ATOM 404 CG LEU A 345 9.435 -43.383 34.261 1.00 20.59 C ATOM 405 CD1 LEU A 345 9.861 -41.999 33.777 1.00 22.67 C ATOM 406 CD2 LEU A 345 10.267 -43.794 35.463 1.00 20.03 C ATOM 407 H LEU A 345 7.367 -45.531 33.107 1.00 0.00 H ATOM 408 N HIS A 346 5.402 -45.589 36.022 1.00 22.68 N ATOM 409 CA HIS A 346 3.958 -45.910 36.123 1.00 25.28 C ATOM 410 C HIS A 346 3.102 -44.790 36.711 1.00 23.25 C ATOM 411 O HIS A 346 1.956 -44.621 36.334 1.00 24.06 O ATOM 412 CB HIS A 346 3.756 -47.065 37.102 1.00 29.91 C ATOM 413 CG HIS A 346 4.600 -48.250 36.806 1.00 32.41 C ATOM 414 ND1 HIS A 346 4.411 -49.006 35.666 1.00 32.12 N ATOM 415 CD2 HIS A 346 5.688 -48.756 37.434 1.00 30.69 C ATOM 416 CE1 HIS A 346 5.317 -49.961 35.630 1.00 31.60 C ATOM 417 NE2 HIS A 346 6.114 -49.820 36.680 1.00 32.44 N ATOM 418 H HIS A 346 6.068 -46.158 36.582 1.00 0.00 H ATOM 419 N ASP A 347 3.736 -44.022 37.574 1.00 20.07 N ATOM 420 CA ASP A 347 3.161 -42.881 38.210 1.00 18.95 C ATOM 421 C ASP A 347 3.439 -41.528 37.517 1.00 16.59 C ATOM 422 O ASP A 347 2.952 -40.513 37.999 1.00 16.37 O ATOM 423 CB ASP A 347 3.717 -42.812 39.606 1.00 19.31 C ATOM 424 CG ASP A 347 5.243 -42.722 39.646 1.00 20.97 C ATOM 425 OD1 ASP A 347 5.917 -43.017 38.643 1.00 20.35 O ATOM 426 OD2 ASP A 347 5.764 -42.413 40.728 1.00 24.61 O ATOM 427 H ASP A 347 4.720 -44.263 37.807 1.00 0.00 H ATOM 428 N TYR A 348 4.173 -41.491 36.396 1.00 14.87 N ATOM 429 CA TYR A 348 4.590 -40.187 35.748 1.00 14.16 C ATOM 430 C TYR A 348 3.431 -39.237 35.496 1.00 14.08 C ATOM 431 O TYR A 348 3.406 -38.096 35.951 1.00 12.24 O ATOM 432 CB TYR A 348 5.433 -40.403 34.437 1.00 14.25 C ATOM 433 CG TYR A 348 6.071 -39.107 33.938 1.00 13.70 C ATOM 434 CD1 TYR A 348 7.206 -38.584 34.577 1.00 13.13 C ATOM 435 CD2 TYR A 348 5.466 -38.327 32.924 1.00 13.26 C ATOM 436 CE1 TYR A 348 7.742 -37.376 34.192 1.00 13.45 C ATOM 437 CE2 TYR A 348 5.994 -37.084 32.550 1.00 13.94 C ATOM 438 CZ TYR A 348 7.153 -36.616 33.170 1.00 13.62 C ATOM 439 OH TYR A 348 7.675 -35.395 32.813 1.00 14.34 O ATOM 440 HH TYR A 348 8.491 -35.218 33.345 1.00 0.00 H ATOM 441 H TYR A 348 4.466 -42.387 35.957 1.00 0.00 H ATOM 442 N HIS A 349 2.419 -39.740 34.799 1.00 15.70 N ATOM 443 CA HIS A 349 1.253 -38.927 34.423 1.00 15.72 C ATOM 444 C HIS A 349 0.295 -38.676 35.576 1.00 15.17 C ATOM 445 O HIS A 349 -0.540 -37.770 35.496 1.00 15.52 O ATOM 446 CB HIS A 349 0.576 -39.508 33.169 1.00 16.43 C ATOM 447 CG HIS A 349 1.446 -39.396 31.942 1.00 18.02 C ATOM 448 ND1 HIS A 349 1.729 -38.188 31.333 1.00 19.88 N ATOM 449 CD2 HIS A 349 2.135 -40.324 31.248 1.00 19.05 C ATOM 450 CE1 HIS A 349 2.550 -38.381 30.312 1.00 20.49 C ATOM 451 NE2 HIS A 349 2.822 -39.672 30.247 1.00 20.42 N ATOM 452 H HIS A 349 2.452 -40.739 34.510 1.00 0.00 H ATOM 453 N ASP A 350 0.455 -39.397 36.674 1.00 14.13 N ATOM 454 CA ASP A 350 -0.259 -39.036 37.894 1.00 14.12 C ATOM 455 C ASP A 350 0.312 -37.787 38.522 1.00 14.46 C ATOM 456 O ASP A 350 -0.435 -36.992 39.096 1.00 14.40 O ATOM 457 CB ASP A 350 -0.183 -40.179 38.932 1.00 14.38 C ATOM 458 CG ASP A 350 -0.902 -41.436 38.479 1.00 14.88 C ATOM 459 OD1 ASP A 350 -1.996 -41.303 37.891 1.00 14.74 O ATOM 460 OD2 ASP A 350 -0.385 -42.563 38.702 1.00 15.10 O ATOM 461 H ASP A 350 1.090 -40.221 36.667 1.00 0.00 H ATOM 462 N ILE A 351 1.634 -37.656 38.455 1.00 12.88 N ATOM 463 CA ILE A 351 2.344 -36.573 39.130 1.00 13.14 C ATOM 464 C ILE A 351 2.505 -35.304 38.226 1.00 12.28 C ATOM 465 O ILE A 351 2.351 -34.197 38.689 1.00 11.76 O ATOM 466 CB ILE A 351 3.690 -37.125 39.620 1.00 13.02 C ATOM 467 CG1 ILE A 351 3.418 -38.205 40.717 1.00 14.07 C ATOM 468 CG2 ILE A 351 4.573 -36.019 40.174 1.00 13.02 C ATOM 469 CD1 ILE A 351 4.641 -38.709 41.491 1.00 13.96 C ATOM 470 H ILE A 351 2.180 -38.348 37.903 1.00 0.00 H ATOM 471 N ILE A 352 2.795 -35.520 36.953 1.00 12.36 N ATOM 472 CA ILE A 352 3.036 -34.475 35.981 1.00 12.74 C ATOM 473 C ILE A 352 1.816 -34.333 35.118 1.00 13.64 C ATOM 474 O ILE A 352 1.590 -35.165 34.254 1.00 13.90 O ATOM 475 CB ILE A 352 4.243 -34.829 35.102 1.00 11.87 C ATOM 476 CG1 ILE A 352 5.486 -34.972 35.975 1.00 12.33 C ATOM 477 CG2 ILE A 352 4.490 -33.774 34.016 1.00 11.77 C ATOM 478 CD1 ILE A 352 5.684 -33.853 36.982 1.00 11.77 C ATOM 479 H ILE A 352 2.854 -36.507 36.629 1.00 0.00 H ATOM 480 N LYS A 353 1.043 -33.272 35.353 1.00 16.37 N ATOM 481 CA LYS A 353 -0.214 -33.039 34.626 1.00 19.32 C ATOM 482 C LYS A 353 0.004 -32.301 33.312 1.00 21.06 C ATOM 483 O LYS A 353 -0.827 -32.392 32.423 1.00 23.33 O ATOM 484 CB LYS A 353 -1.212 -32.241 35.490 1.00 20.22 C ATOM 485 CG LYS A 353 -1.498 -32.858 36.848 1.00 22.33 C ATOM 486 CD LYS A 353 -1.884 -34.316 36.670 1.00 25.77 C ATOM 487 CE LYS A 353 -2.633 -34.872 37.878 1.00 31.01 C ATOM 488 NZ LYS A 353 -3.055 -36.265 37.552 1.00 34.74 N ATOM 489 HZ1 LYS A 353 -3.675 -36.252 36.717 1.00 0.00 H ATOM 490 HZ2 LYS A 353 -2.214 -36.843 37.351 1.00 0.00 H ATOM 491 HZ3 LYS A 353 -3.569 -36.668 38.361 1.00 0.00 H ATOM 492 H LYS A 353 1.339 -32.585 36.076 1.00 0.00 H ATOM 493 N HIS A 354 1.113 -31.568 33.178 1.00 20.99 N ATOM 494 CA HIS A 354 1.380 -30.804 31.969 1.00 22.25 C ATOM 495 C HIS A 354 2.832 -31.094 31.499 1.00 20.39 C ATOM 496 O HIS A 354 3.763 -30.315 31.814 1.00 18.04 O ATOM 497 CB HIS A 354 1.156 -29.307 32.241 1.00 25.44 C ATOM 498 CG HIS A 354 -0.140 -29.004 32.960 1.00 35.13 C ATOM 499 ND1 HIS A 354 -0.177 -28.383 34.198 1.00 39.76 N ATOM 500 CD2 HIS A 354 -1.432 -29.324 32.672 1.00 41.01 C ATOM 501 CE1 HIS A 354 -1.434 -28.253 34.597 1.00 42.81 C ATOM 502 NE2 HIS A 354 -2.214 -28.826 33.697 1.00 46.03 N ATOM 503 H HIS A 354 1.802 -31.543 33.957 1.00 0.00 H ATOM 504 N PRO A 355 3.025 -32.210 30.789 1.00 19.25 N ATOM 505 CA PRO A 355 4.338 -32.572 30.271 1.00 18.46 C ATOM 506 C PRO A 355 4.877 -31.533 29.307 1.00 16.74 C ATOM 507 O PRO A 355 4.112 -30.841 28.635 1.00 16.86 O ATOM 508 CB PRO A 355 4.062 -33.879 29.515 1.00 19.78 C ATOM 509 CG PRO A 355 2.856 -34.439 30.157 1.00 20.26 C ATOM 510 CD PRO A 355 2.027 -33.230 30.402 1.00 20.06 C ATOM 511 N MET A 356 6.193 -31.380 29.270 1.00 14.73 N ATOM 512 CA MET A 356 6.815 -30.441 28.320 1.00 14.06 C ATOM 513 C MET A 356 8.210 -30.927 28.043 1.00 12.87 C ATOM 514 O MET A 356 8.865 -31.545 28.920 1.00 12.65 O ATOM 515 CB MET A 356 6.821 -28.987 28.869 1.00 13.23 C ATOM 516 CG MET A 356 7.293 -27.888 27.928 1.00 13.40 C ATOM 517 SD MET A 356 6.468 -27.878 26.318 1.00 13.91 S ATOM 518 CE MET A 356 4.759 -27.682 26.865 1.00 14.25 C ATOM 519 H MET A 356 6.793 -31.929 29.918 1.00 0.00 H ATOM 520 N ASP A 357 8.686 -30.595 26.858 1.00 11.79 N ATOM 521 CA ASP A 357 10.016 -30.980 26.427 1.00 12.46 C ATOM 522 C ASP A 357 10.426 -30.064 25.280 1.00 11.53 C ATOM 523 O ASP A 357 9.608 -29.337 24.731 1.00 11.33 O ATOM 524 CB ASP A 357 10.060 -32.436 25.944 1.00 12.37 C ATOM 525 CG ASP A 357 9.344 -32.616 24.626 1.00 13.62 C ATOM 526 OD1 ASP A 357 8.113 -32.588 24.618 1.00 13.51 O ATOM 527 OD2 ASP A 357 10.005 -32.711 23.572 1.00 15.42 O ATOM 528 H ASP A 357 8.089 -30.040 26.213 1.00 0.00 H ATOM 529 N LEU A 358 11.689 -30.176 24.896 1.00 12.10 N ATOM 530 CA LEU A 358 12.237 -29.259 23.903 1.00 12.74 C ATOM 531 C LEU A 358 11.613 -29.401 22.521 1.00 12.40 C ATOM 532 O LEU A 358 11.458 -28.386 21.855 1.00 11.80 O ATOM 533 CB LEU A 358 13.766 -29.367 23.871 1.00 13.82 C ATOM 534 CG LEU A 358 14.497 -28.877 25.138 1.00 14.48 C ATOM 535 CD1 LEU A 358 15.974 -29.254 25.103 1.00 15.31 C ATOM 536 CD2 LEU A 358 14.314 -27.375 25.353 1.00 13.49 C ATOM 537 H LEU A 358 12.291 -30.920 25.304 1.00 0.00 H ATOM 538 N SER A 359 11.244 -30.625 22.101 1.00 13.15 N ATOM 539 CA SER A 359 10.653 -30.836 20.766 1.00 13.20 C ATOM 540 C SER A 359 9.302 -30.214 20.670 1.00 13.73 C ATOM 541 O SER A 359 8.925 -29.700 19.649 1.00 13.59 O ATOM 542 CB SER A 359 10.552 -32.320 20.396 1.00 14.82 C ATOM 543 OG SER A 359 9.462 -32.949 21.099 1.00 16.51 O ATOM 544 HG SER A 359 9.612 -32.872 22.075 1.00 0.00 H ATOM 545 H SER A 359 11.379 -31.441 22.732 1.00 0.00 H ATOM 546 N THR A 360 8.594 -30.192 21.794 1.00 14.47 N ATOM 547 CA THR A 360 7.344 -29.509 21.890 1.00 13.16 C ATOM 548 C THR A 360 7.499 -27.967 21.887 1.00 12.73 C ATOM 549 O THR A 360 6.760 -27.281 21.189 1.00 11.56 O ATOM 550 CB THR A 360 6.564 -29.982 23.103 1.00 13.84 C ATOM 551 OG1 THR A 360 6.397 -31.406 23.056 1.00 14.42 O ATOM 552 CG2 THR A 360 5.181 -29.355 23.164 1.00 13.75 C ATOM 553 HG1 THR A 360 7.286 -31.841 23.050 1.00 0.00 H ATOM 554 H THR A 360 8.962 -30.688 22.631 1.00 0.00 H ATOM 555 N VAL A 361 8.461 -27.441 22.640 1.00 11.95 N ATOM 556 CA VAL A 361 8.768 -26.026 22.563 1.00 11.81 C ATOM 557 C VAL A 361 9.101 -25.660 21.089 1.00 12.57 C ATOM 558 O VAL A 361 8.706 -24.605 20.600 1.00 11.38 O ATOM 559 CB VAL A 361 9.883 -25.615 23.520 1.00 11.70 C ATOM 560 CG1 VAL A 361 10.247 -24.151 23.380 1.00 11.58 C ATOM 561 CG2 VAL A 361 9.439 -25.843 24.940 1.00 12.44 C ATOM 562 H VAL A 361 8.998 -28.050 23.290 1.00 0.00 H ATOM 563 N LYS A 362 9.856 -26.512 20.416 1.00 13.76 N ATOM 564 CA LYS A 362 10.202 -26.253 19.002 1.00 15.45 C ATOM 565 C LYS A 362 8.976 -26.271 18.114 1.00 16.08 C ATOM 566 O LYS A 362 8.820 -25.341 17.268 1.00 14.40 O ATOM 567 CB LYS A 362 11.190 -27.279 18.457 1.00 16.09 C ATOM 568 CG LYS A 362 11.640 -27.049 17.006 1.00 18.31 C ATOM 569 CD LYS A 362 12.891 -27.851 16.657 1.00 20.38 C ATOM 570 CE LYS A 362 13.193 -27.870 15.159 1.00 24.70 C ATOM 571 NZ LYS A 362 13.022 -26.541 14.518 1.00 27.35 N ATOM 572 HZ1 LYS A 362 12.039 -26.223 14.640 1.00 0.00 H ATOM 573 HZ2 LYS A 362 13.667 -25.857 14.963 1.00 0.00 H ATOM 574 HZ3 LYS A 362 13.240 -26.616 13.504 1.00 0.00 H ATOM 575 H LYS A 362 10.209 -27.371 20.885 1.00 0.00 H ATOM 576 N ARG A 363 8.145 -27.301 18.268 1.00 16.93 N ATOM 577 CA ARG A 363 6.889 -27.369 17.519 1.00 19.42 C ATOM 578 C ARG A 363 6.123 -26.079 17.729 1.00 18.04 C ATOM 579 O ARG A 363 5.691 -25.430 16.746 1.00 20.49 O ATOM 580 CB ARG A 363 6.038 -28.594 17.909 1.00 22.87 C ATOM 581 CG ARG A 363 4.746 -28.764 17.086 1.00 26.69 C ATOM 582 CD ARG A 363 3.825 -29.938 17.493 1.00 31.61 C ATOM 583 NE ARG A 363 3.335 -29.850 18.876 1.00 36.22 N ATOM 584 CZ ARG A 363 2.462 -28.940 19.350 1.00 39.66 C ATOM 585 NH1 ARG A 363 1.903 -28.019 18.560 1.00 43.75 N ATOM 586 NH2 ARG A 363 2.136 -28.935 20.652 1.00 38.49 N ATOM 587 HE ARG A 363 3.695 -30.555 19.550 1.00 0.00 H ATOM 588 HH12 ARG A 363 1.233 -27.331 18.958 1.00 0.00 H ATOM 589 HH11 ARG A 363 2.138 -27.990 17.547 1.00 0.00 H ATOM 590 HH22 ARG A 363 1.462 -28.232 21.017 1.00 0.00 H ATOM 591 HH21 ARG A 363 2.557 -29.634 21.296 1.00 0.00 H ATOM 592 H ARG A 363 8.392 -28.066 18.928 1.00 0.00 H ATOM 593 N LYS A 364 6.028 -25.624 18.972 1.00 17.53 N ATOM 594 CA LYS A 364 5.272 -24.405 19.251 1.00 17.13 C ATOM 595 C LYS A 364 5.872 -23.125 18.675 1.00 18.69 C ATOM 596 O LYS A 364 5.128 -22.233 18.161 1.00 18.51 O ATOM 597 CB LYS A 364 5.004 -24.293 20.756 1.00 18.14 C ATOM 598 CG LYS A 364 3.994 -25.371 21.225 1.00 18.50 C ATOM 599 CD LYS A 364 3.710 -25.387 22.725 1.00 18.91 C ATOM 600 CE LYS A 364 2.996 -24.145 23.186 1.00 19.76 C ATOM 601 NZ LYS A 364 2.684 -24.212 24.623 1.00 20.69 N ATOM 602 HZ1 LYS A 364 2.073 -25.034 24.806 1.00 0.00 H ATOM 603 HZ2 LYS A 364 3.567 -24.308 25.164 1.00 0.00 H ATOM 604 HZ3 LYS A 364 2.192 -23.342 24.911 1.00 0.00 H ATOM 605 H LYS A 364 6.492 -26.136 19.749 1.00 0.00 H ATOM 606 N MET A 365 7.198 -23.005 18.770 1.00 17.25 N ATOM 607 CA MET A 365 7.925 -21.854 18.212 1.00 18.63 C ATOM 608 C MET A 365 7.806 -21.825 16.667 1.00 18.32 C ATOM 609 O MET A 365 7.415 -20.791 16.098 1.00 19.99 O ATOM 610 CB MET A 365 9.380 -21.902 18.599 1.00 18.81 C ATOM 611 CG MET A 365 10.209 -20.708 18.160 1.00 19.76 C ATOM 612 SD MET A 365 9.803 -19.199 19.013 1.00 19.77 S ATOM 613 CE MET A 365 10.304 -19.641 20.668 1.00 22.06 C ATOM 614 H MET A 365 7.736 -23.751 19.255 1.00 0.00 H ATOM 615 N ASP A 366 8.071 -22.958 16.012 1.00 18.26 N ATOM 616 CA ASP A 366 7.911 -23.069 14.528 1.00 18.44 C ATOM 617 C ASP A 366 6.460 -22.802 14.085 1.00 18.25 C ATOM 618 O ASP A 366 6.251 -22.223 13.055 1.00 17.58 O ATOM 619 CB ASP A 366 8.317 -24.433 13.988 1.00 18.25 C ATOM 620 CG ASP A 366 9.775 -24.736 14.198 1.00 18.55 C ATOM 621 OD1 ASP A 366 10.530 -23.798 14.461 1.00 20.40 O ATOM 622 OD2 ASP A 366 10.158 -25.916 14.089 1.00 17.15 O ATOM 623 H ASP A 366 8.398 -23.787 16.548 1.00 0.00 H ATOM 624 N GLY A 367 5.485 -23.133 14.927 1.00 18.00 N ATOM 625 CA GLY A 367 4.072 -22.813 14.662 1.00 18.74 C ATOM 626 C GLY A 367 3.567 -21.474 15.144 1.00 19.68 C ATOM 627 O GLY A 367 2.350 -21.222 15.110 1.00 21.90 O ATOM 628 H GLY A 367 5.729 -23.636 15.804 1.00 0.00 H ATOM 629 N ARG A 368 4.463 -20.591 15.594 1.00 19.67 N ATOM 630 CA ARG A 368 4.095 -19.253 16.049 1.00 20.79 C ATOM 631 C ARG A 368 3.018 -19.271 17.128 1.00 20.96 C ATOM 632 O ARG A 368 2.140 -18.399 17.167 1.00 23.75 O ATOM 633 CB ARG A 368 3.646 -18.377 14.866 1.00 22.35 C ATOM 634 CG ARG A 368 4.599 -18.387 13.694 1.00 23.42 C ATOM 635 CD ARG A 368 5.967 -17.943 14.128 1.00 24.49 C ATOM 636 NE ARG A 368 6.921 -17.846 13.020 1.00 23.90 N ATOM 637 CZ ARG A 368 8.045 -18.549 12.876 1.00 23.71 C ATOM 638 NH1 ARG A 368 8.448 -19.485 13.753 1.00 23.71 N ATOM 639 NH2 ARG A 368 8.830 -18.270 11.854 1.00 24.39 N ATOM 640 HE ARG A 368 6.699 -17.160 12.271 1.00 0.00 H ATOM 641 HH12 ARG A 368 9.335 -20.003 13.590 1.00 0.00 H ATOM 642 HH11 ARG A 368 7.873 -19.691 14.595 1.00 0.00 H ATOM 643 HH22 ARG A 368 9.713 -18.802 11.716 1.00 0.00 H ATOM 644 HH21 ARG A 368 8.566 -17.518 11.186 1.00 0.00 H ATOM 645 H ARG A 368 5.465 -20.868 15.621 1.00 0.00 H ATOM 646 N GLU A 369 3.114 -20.223 18.047 1.00 22.96 N ATOM 647 CA GLU A 369 2.151 -20.301 19.162 1.00 21.86 C ATOM 648 C GLU A 369 2.503 -19.445 20.356 1.00 22.15 C ATOM 649 O GLU A 369 1.624 -19.237 21.194 1.00 20.32 O ATOM 650 CB GLU A 369 1.973 -21.721 19.641 1.00 23.69 C ATOM 651 CG GLU A 369 1.363 -22.678 18.602 1.00 26.34 C ATOM 652 CD GLU A 369 0.974 -23.997 19.234 1.00 26.22 C ATOM 653 OE1 GLU A 369 0.512 -23.997 20.417 1.00 32.24 O ATOM 654 OE2 GLU A 369 1.114 -25.028 18.566 1.00 28.42 O ATOM 655 H GLU A 369 3.879 -20.924 17.980 1.00 0.00 H ATOM 656 N TYR A 370 3.760 -18.990 20.477 1.00 18.86 N ATOM 657 CA TYR A 370 4.121 -18.159 21.614 1.00 18.84 C ATOM 658 C TYR A 370 3.764 -16.700 21.274 1.00 19.30 C ATOM 659 O TYR A 370 4.231 -16.172 20.285 1.00 19.06 O ATOM 660 CB TYR A 370 5.608 -18.326 22.008 1.00 18.32 C ATOM 661 CG TYR A 370 5.934 -19.720 22.506 1.00 18.92 C ATOM 662 CD1 TYR A 370 5.327 -20.217 23.668 1.00 18.58 C ATOM 663 CD2 TYR A 370 6.800 -20.555 21.812 1.00 18.22 C ATOM 664 CE1 TYR A 370 5.574 -21.508 24.111 1.00 19.98 C ATOM 665 CE2 TYR A 370 7.092 -21.843 22.272 1.00 17.91 C ATOM 666 CZ TYR A 370 6.487 -22.306 23.426 1.00 18.68 C ATOM 667 OH TYR A 370 6.673 -23.582 23.861 1.00 20.25 O ATOM 668 HH TYR A 370 6.161 -23.722 24.697 1.00 0.00 H ATOM 669 H TYR A 370 4.473 -19.231 19.760 1.00 0.00 H ATOM 670 N PRO A 371 2.946 -16.037 22.103 1.00 21.33 N ATOM 671 CA PRO A 371 2.662 -14.623 21.833 1.00 22.93 C ATOM 672 C PRO A 371 3.831 -13.702 22.191 1.00 22.92 C ATOM 673 O PRO A 371 3.884 -12.586 21.718 1.00 23.15 O ATOM 674 CB PRO A 371 1.448 -14.324 22.753 1.00 24.24 C ATOM 675 CG PRO A 371 1.588 -15.291 23.891 1.00 22.67 C ATOM 676 CD PRO A 371 2.217 -16.529 23.304 1.00 22.09 C ATOM 677 N ASP A 372 4.722 -14.141 23.066 1.00 21.29 N ATOM 678 CA ASP A 372 5.810 -13.306 23.560 1.00 20.69 C ATOM 679 C ASP A 372 6.855 -14.191 24.243 1.00 19.78 C ATOM 680 O ASP A 372 6.689 -15.420 24.332 1.00 17.73 O ATOM 681 CB ASP A 372 5.301 -12.250 24.566 1.00 21.95 C ATOM 682 CG ASP A 372 4.436 -12.847 25.699 1.00 24.23 C ATOM 683 OD1 ASP A 372 4.483 -14.049 26.005 1.00 26.39 O ATOM 684 OD2 ASP A 372 3.690 -12.073 26.321 1.00 29.86 O ATOM 685 H ASP A 372 4.643 -15.118 23.414 1.00 0.00 H ATOM 686 N ALA A 373 7.928 -13.557 24.690 1.00 19.19 N ATOM 687 CA ALA A 373 9.082 -14.269 25.268 1.00 19.64 C ATOM 688 C ALA A 373 8.722 -14.957 26.599 1.00 20.63 C ATOM 689 O ALA A 373 9.207 -16.054 26.908 1.00 19.72 O ATOM 690 CB ALA A 373 10.217 -13.272 25.478 1.00 19.31 C ATOM 691 H ALA A 373 7.958 -12.519 24.631 1.00 0.00 H ATOM 692 N GLN A 374 7.845 -14.311 27.357 1.00 19.94 N ATOM 693 CA GLN A 374 7.341 -14.839 28.617 1.00 21.44 C ATOM 694 C GLN A 374 6.621 -16.176 28.448 1.00 19.94 C ATOM 695 O GLN A 374 6.771 -17.056 29.292 1.00 18.12 O ATOM 696 CB GLN A 374 6.434 -13.796 29.272 1.00 24.13 C ATOM 697 CG GLN A 374 7.188 -12.497 29.567 1.00 29.00 C ATOM 698 CD GLN A 374 7.086 -11.366 28.463 1.00 35.84 C ATOM 699 OE1 GLN A 374 7.467 -11.530 27.279 1.00 31.96 O ATOM 700 NE2 GLN A 374 6.607 -10.191 28.890 1.00 43.99 N ATOM 701 HE22 GLN A 374 6.298 -10.083 29.877 1.00 0.00 H ATOM 702 HE21 GLN A 374 6.544 -9.386 28.234 1.00 0.00 H ATOM 703 H GLN A 374 7.501 -13.383 27.036 1.00 0.00 H ATOM 704 N GLY A 375 5.837 -16.335 27.375 1.00 16.68 N ATOM 705 CA GLY A 375 5.165 -17.597 27.080 1.00 15.02 C ATOM 706 C GLY A 375 6.147 -18.747 26.811 1.00 14.34 C ATOM 707 O GLY A 375 5.981 -19.857 27.305 1.00 12.57 O ATOM 708 H GLY A 375 5.702 -15.531 26.729 1.00 0.00 H ATOM 709 N PHE A 376 7.178 -18.444 26.014 1.00 13.12 N ATOM 710 CA PHE A 376 8.278 -19.376 25.757 1.00 12.77 C ATOM 711 C PHE A 376 8.957 -19.803 27.060 1.00 12.20 C ATOM 712 O PHE A 376 9.154 -20.967 27.325 1.00 11.07 O ATOM 713 CB PHE A 376 9.260 -18.707 24.763 1.00 11.70 C ATOM 714 CG PHE A 376 10.594 -19.356 24.675 1.00 11.36 C ATOM 715 CD1 PHE A 376 10.781 -20.479 23.893 1.00 11.22 C ATOM 716 CD2 PHE A 376 11.699 -18.807 25.317 1.00 11.16 C ATOM 717 CE1 PHE A 376 12.036 -21.046 23.795 1.00 10.63 C ATOM 718 CE2 PHE A 376 12.931 -19.428 25.263 1.00 10.83 C ATOM 719 CZ PHE A 376 13.108 -20.508 24.473 1.00 10.34 C ATOM 720 H PHE A 376 7.199 -17.509 25.559 1.00 0.00 H ATOM 721 N ALA A 377 9.302 -18.817 27.845 1.00 13.29 N ATOM 722 CA ALA A 377 9.991 -19.077 29.096 1.00 14.71 C ATOM 723 C ALA A 377 9.159 -19.901 30.056 1.00 15.23 C ATOM 724 O ALA A 377 9.676 -20.773 30.758 1.00 14.85 O ATOM 725 CB ALA A 377 10.425 -17.775 29.721 1.00 14.93 C ATOM 726 H ALA A 377 9.081 -17.838 27.571 1.00 0.00 H ATOM 727 N ALA A 378 7.863 -19.636 30.116 1.00 15.20 N ATOM 728 CA ALA A 378 6.986 -20.448 30.960 1.00 14.71 C ATOM 729 C ALA A 378 7.050 -21.947 30.616 1.00 14.68 C ATOM 730 O ALA A 378 7.124 -22.800 31.529 1.00 13.68 O ATOM 731 CB ALA A 378 5.541 -19.914 30.891 1.00 15.50 C ATOM 732 H ALA A 378 7.468 -18.849 29.562 1.00 0.00 H ATOM 733 N ASP A 379 7.023 -22.270 29.318 1.00 12.98 N ATOM 734 CA ASP A 379 7.133 -23.673 28.858 1.00 12.19 C ATOM 735 C ASP A 379 8.485 -24.275 29.200 1.00 12.02 C ATOM 736 O ASP A 379 8.549 -25.433 29.681 1.00 11.13 O ATOM 737 CB ASP A 379 6.847 -23.798 27.371 1.00 12.55 C ATOM 738 CG ASP A 379 5.377 -24.028 27.064 1.00 13.76 C ATOM 739 OD1 ASP A 379 4.567 -24.124 28.001 1.00 14.57 O ATOM 740 OD2 ASP A 379 5.025 -24.154 25.856 1.00 14.08 O ATOM 741 H ASP A 379 6.922 -21.514 28.612 1.00 0.00 H ATOM 742 N VAL A 380 9.544 -23.490 29.021 1.00 10.58 N ATOM 743 CA VAL A 380 10.864 -24.004 29.321 1.00 10.93 C ATOM 744 C VAL A 380 11.018 -24.307 30.801 1.00 10.94 C ATOM 745 O VAL A 380 11.515 -25.365 31.175 1.00 11.21 O ATOM 746 CB VAL A 380 11.983 -23.053 28.848 1.00 11.16 C ATOM 747 CG1 VAL A 380 13.350 -23.535 29.353 1.00 12.14 C ATOM 748 CG2 VAL A 380 11.978 -22.936 27.308 1.00 11.32 C ATOM 749 H VAL A 380 9.425 -22.518 28.670 1.00 0.00 H ATOM 750 N ARG A 381 10.554 -23.382 31.641 1.00 11.72 N ATOM 751 CA ARG A 381 10.575 -23.584 33.097 1.00 11.94 C ATOM 752 C ARG A 381 9.678 -24.696 33.570 1.00 11.27 C ATOM 753 O ARG A 381 9.995 -25.400 34.510 1.00 10.59 O ATOM 754 CB ARG A 381 10.266 -22.258 33.813 1.00 12.85 C ATOM 755 CG ARG A 381 11.327 -21.214 33.517 1.00 14.44 C ATOM 756 CD ARG A 381 11.295 -20.125 34.530 1.00 16.81 C ATOM 757 NE ARG A 381 12.320 -19.118 34.268 1.00 18.13 N ATOM 758 CZ ARG A 381 12.093 -17.872 33.847 1.00 17.11 C ATOM 759 NH1 ARG A 381 10.856 -17.432 33.583 1.00 18.52 N ATOM 760 NH2 ARG A 381 13.114 -17.042 33.698 1.00 15.55 N ATOM 761 HE ARG A 381 13.310 -19.395 34.423 1.00 0.00 H ATOM 762 HH12 ARG A 381 10.710 -16.456 33.256 1.00 0.00 H ATOM 763 HH11 ARG A 381 10.041 -18.067 33.705 1.00 0.00 H ATOM 764 HH22 ARG A 381 12.949 -16.069 33.371 1.00 0.00 H ATOM 765 HH21 ARG A 381 14.080 -17.363 33.908 1.00 0.00 H ATOM 766 H ARG A 381 10.168 -22.496 31.257 1.00 0.00 H ATOM 767 N LEU A 382 8.556 -24.884 32.891 1.00 12.45 N ATOM 768 CA LEU A 382 7.682 -26.011 33.151 1.00 11.78 C ATOM 769 C LEU A 382 8.391 -27.342 32.919 1.00 12.09 C ATOM 770 O LEU A 382 8.267 -28.308 33.709 1.00 12.26 O ATOM 771 CB LEU A 382 6.440 -25.898 32.246 1.00 12.76 C ATOM 772 CG LEU A 382 5.508 -27.120 32.133 1.00 12.70 C ATOM 773 CD1 LEU A 382 4.934 -27.454 33.524 1.00 11.84 C ATOM 774 CD2 LEU A 382 4.366 -26.832 31.142 1.00 13.59 C ATOM 775 H LEU A 382 8.295 -24.203 32.150 1.00 0.00 H ATOM 776 N MET A 383 9.131 -27.429 31.821 1.00 11.84 N ATOM 777 CA MET A 383 9.921 -28.596 31.526 1.00 11.39 C ATOM 778 C MET A 383 10.883 -28.919 32.668 1.00 11.54 C ATOM 779 O MET A 383 10.973 -30.066 33.113 1.00 12.49 O ATOM 780 CB MET A 383 10.688 -28.366 30.231 1.00 11.90 C ATOM 781 CG MET A 383 11.584 -29.497 29.788 1.00 12.58 C ATOM 782 SD MET A 383 12.539 -29.061 28.314 1.00 13.12 S ATOM 783 CE MET A 383 13.828 -28.020 29.077 1.00 13.34 C ATOM 784 H MET A 383 9.141 -26.631 31.154 1.00 0.00 H ATOM 785 N PHE A 384 11.590 -27.914 33.179 1.00 11.72 N ATOM 786 CA PHE A 384 12.537 -28.139 34.278 1.00 11.79 C ATOM 787 C PHE A 384 11.799 -28.464 35.540 1.00 11.48 C ATOM 788 O PHE A 384 12.201 -29.399 36.248 1.00 11.51 O ATOM 789 CB PHE A 384 13.417 -26.907 34.516 1.00 12.03 C ATOM 790 CG PHE A 384 14.353 -26.594 33.351 1.00 12.70 C ATOM 791 CD1 PHE A 384 15.205 -27.562 32.836 1.00 12.60 C ATOM 792 CD2 PHE A 384 14.417 -25.322 32.809 1.00 12.96 C ATOM 793 CE1 PHE A 384 16.056 -27.258 31.777 1.00 12.68 C ATOM 794 CE2 PHE A 384 15.282 -25.028 31.757 1.00 13.40 C ATOM 795 CZ PHE A 384 16.112 -25.980 31.268 1.00 13.00 C ATOM 796 H PHE A 384 11.470 -26.955 32.794 1.00 0.00 H ATOM 797 N SER A 385 10.739 -27.702 35.844 1.00 12.07 N ATOM 798 CA SER A 385 9.900 -27.991 37.036 1.00 12.83 C ATOM 799 C SER A 385 9.324 -29.395 37.089 1.00 11.74 C ATOM 800 O SER A 385 9.380 -30.004 38.120 1.00 12.29 O ATOM 801 CB SER A 385 8.771 -26.988 37.164 1.00 13.24 C ATOM 802 OG SER A 385 9.305 -25.752 37.545 1.00 15.08 O ATOM 803 HG SER A 385 9.769 -25.848 38.414 1.00 0.00 H ATOM 804 H SER A 385 10.499 -26.894 35.235 1.00 0.00 H ATOM 805 N ASN A 386 8.805 -29.902 35.971 1.00 10.99 N ATOM 806 CA ASN A 386 8.351 -31.276 35.887 1.00 10.55 C ATOM 807 C ASN A 386 9.471 -32.245 36.252 1.00 9.54 C ATOM 808 O ASN A 386 9.258 -33.182 37.035 1.00 8.89 O ATOM 809 CB ASN A 386 7.871 -31.635 34.505 1.00 11.12 C ATOM 810 CG ASN A 386 6.579 -30.939 34.143 1.00 11.69 C ATOM 811 OD1 ASN A 386 5.838 -30.486 35.023 1.00 13.40 O ATOM 812 ND2 ASN A 386 6.276 -30.878 32.845 1.00 12.04 N ATOM 813 HD22 ASN A 386 6.930 -31.273 32.139 1.00 0.00 H ATOM 814 HD21 ASN A 386 5.386 -30.436 32.539 1.00 0.00 H ATOM 815 H ASN A 386 8.723 -29.292 35.132 1.00 0.00 H ATOM 816 N CYS A 387 10.663 -32.003 35.749 1.00 9.19 N ATOM 817 CA CYS A 387 11.781 -32.880 36.064 1.00 9.94 C ATOM 818 C CYS A 387 12.099 -32.871 37.587 1.00 10.73 C ATOM 819 O CYS A 387 12.253 -33.958 38.232 1.00 10.70 O ATOM 820 CB CYS A 387 13.008 -32.518 35.240 1.00 10.08 C ATOM 821 SG CYS A 387 14.423 -33.571 35.526 1.00 11.40 S ATOM 822 H CYS A 387 10.806 -31.183 35.125 1.00 0.00 H ATOM 823 N TYR A 388 12.201 -31.680 38.170 1.00 10.24 N ATOM 824 CA TYR A 388 12.454 -31.564 39.610 1.00 10.17 C ATOM 825 C TYR A 388 11.331 -32.179 40.419 1.00 10.28 C ATOM 826 O TYR A 388 11.577 -32.762 41.483 1.00 9.84 O ATOM 827 CB TYR A 388 12.654 -30.088 40.052 1.00 9.76 C ATOM 828 CG TYR A 388 13.680 -29.297 39.264 1.00 9.79 C ATOM 829 CD1 TYR A 388 14.921 -29.835 38.979 1.00 10.38 C ATOM 830 CD2 TYR A 388 13.436 -27.983 38.886 1.00 9.25 C ATOM 831 CE1 TYR A 388 15.912 -29.090 38.296 1.00 10.92 C ATOM 832 CE2 TYR A 388 14.389 -27.265 38.191 1.00 10.05 C ATOM 833 CZ TYR A 388 15.644 -27.836 37.895 1.00 10.59 C ATOM 834 OH TYR A 388 16.603 -27.158 37.179 1.00 11.74 O ATOM 835 HH TYR A 388 16.845 -26.327 37.659 1.00 0.00 H ATOM 836 H TYR A 388 12.100 -30.818 37.596 1.00 0.00 H ATOM 837 N LYS A 389 10.098 -32.018 39.947 1.00 9.99 N ATOM 838 CA LYS A 389 8.943 -32.501 40.701 1.00 10.50 C ATOM 839 C LYS A 389 8.886 -34.028 40.735 1.00 10.22 C ATOM 840 O LYS A 389 8.737 -34.600 41.800 1.00 10.08 O ATOM 841 CB LYS A 389 7.634 -31.958 40.115 1.00 11.61 C ATOM 842 CG LYS A 389 6.364 -32.473 40.816 1.00 13.06 C ATOM 843 CD LYS A 389 5.117 -31.910 40.102 1.00 14.85 C ATOM 844 CE LYS A 389 4.748 -30.496 40.536 1.00 16.56 C ATOM 845 NZ LYS A 389 4.570 -30.143 41.973 1.00 16.51 N ATOM 846 HZ1 LYS A 389 3.808 -30.722 42.379 1.00 0.00 H ATOM 847 HZ2 LYS A 389 5.456 -30.325 42.486 1.00 0.00 H ATOM 848 HZ3 LYS A 389 4.322 -29.136 42.053 1.00 0.00 H ATOM 849 H LYS A 389 9.954 -31.544 39.033 1.00 0.00 H ATOM 850 N TYR A 390 9.014 -34.663 39.562 1.00 10.79 N ATOM 851 CA TYR A 390 8.867 -36.094 39.410 1.00 10.38 C ATOM 852 C TYR A 390 9.983 -36.866 40.047 1.00 10.82 C ATOM 853 O TYR A 390 9.737 -37.875 40.665 1.00 10.10 O ATOM 854 CB TYR A 390 8.664 -36.521 37.941 1.00 10.87 C ATOM 855 CG TYR A 390 8.504 -38.002 37.854 1.00 11.02 C ATOM 856 CD1 TYR A 390 7.370 -38.592 38.275 1.00 11.25 C ATOM 857 CD2 TYR A 390 9.581 -38.825 37.470 1.00 12.22 C ATOM 858 CE1 TYR A 390 7.227 -39.980 38.264 1.00 12.76 C ATOM 859 CE2 TYR A 390 9.466 -40.223 37.448 1.00 13.62 C ATOM 860 CZ TYR A 390 8.289 -40.791 37.861 1.00 13.22 C ATOM 861 OH TYR A 390 8.151 -42.145 37.856 1.00 19.67 O ATOM 862 HH TYR A 390 7.247 -42.385 38.181 1.00 0.00 H ATOM 863 H TYR A 390 9.230 -34.097 38.717 1.00 0.00 H ATOM 864 N ASN A 391 11.211 -36.397 39.902 1.00 10.47 N ATOM 865 CA ASN A 391 12.339 -37.242 40.205 1.00 11.28 C ATOM 866 C ASN A 391 12.866 -36.954 41.591 1.00 12.04 C ATOM 867 O ASN A 391 12.655 -35.866 42.133 1.00 13.32 O ATOM 868 CB ASN A 391 13.474 -37.041 39.179 1.00 10.48 C ATOM 869 CG ASN A 391 13.063 -37.466 37.814 1.00 10.46 C ATOM 870 OD1 ASN A 391 13.096 -38.650 37.500 1.00 10.03 O ATOM 871 ND2 ASN A 391 12.703 -36.488 36.941 1.00 9.74 N ATOM 872 HD22 ASN A 391 12.689 -35.495 37.250 1.00 0.00 H ATOM 873 HD21 ASN A 391 12.442 -36.733 35.965 1.00 0.00 H ATOM 874 H ASN A 391 11.362 -35.423 39.571 1.00 0.00 H ATOM 875 N PRO A 392 13.574 -37.931 42.153 1.00 12.37 N ATOM 876 CA PRO A 392 14.232 -37.688 43.412 1.00 13.95 C ATOM 877 C PRO A 392 15.321 -36.644 43.263 1.00 15.31 C ATOM 878 O PRO A 392 15.974 -36.637 42.255 1.00 16.47 O ATOM 879 CB PRO A 392 14.833 -39.044 43.794 1.00 13.22 C ATOM 880 CG PRO A 392 14.139 -40.054 42.937 1.00 13.53 C ATOM 881 CD PRO A 392 13.733 -39.309 41.689 1.00 12.70 C ATOM 882 N PRO A 393 15.501 -35.773 44.243 1.00 16.38 N ATOM 883 CA PRO A 393 16.445 -34.658 44.131 1.00 18.23 C ATOM 884 C PRO A 393 17.876 -35.077 43.862 1.00 18.17 C ATOM 885 O PRO A 393 18.628 -34.318 43.274 1.00 17.56 O ATOM 886 CB PRO A 393 16.369 -33.992 45.489 1.00 19.62 C ATOM 887 CG PRO A 393 15.782 -35.053 46.395 1.00 19.03 C ATOM 888 CD PRO A 393 14.809 -35.767 45.536 1.00 18.44 C ATOM 889 N ASP A 394 18.240 -36.267 44.301 1.00 19.10 N ATOM 890 CA ASP A 394 19.580 -36.819 44.043 1.00 22.27 C ATOM 891 C ASP A 394 19.758 -37.571 42.698 1.00 19.73 C ATOM 892 O ASP A 394 20.847 -38.014 42.424 1.00 23.10 O ATOM 893 CB ASP A 394 20.054 -37.693 45.244 1.00 24.86 C ATOM 894 CG ASP A 394 19.218 -38.977 45.450 1.00 30.24 C ATOM 895 OD1 ASP A 394 18.344 -39.346 44.641 1.00 30.25 O ATOM 896 OD2 ASP A 394 19.427 -39.626 46.482 1.00 33.19 O ATOM 897 H ASP A 394 17.559 -36.833 44.846 1.00 0.00 H ATOM 898 N HIS A 395 18.725 -37.685 41.870 1.00 19.11 N ATOM 899 CA HIS A 395 18.862 -38.371 40.571 1.00 19.34 C ATOM 900 C HIS A 395 19.748 -37.558 39.608 1.00 18.52 C ATOM 901 O HIS A 395 19.743 -36.311 39.618 1.00 17.55 O ATOM 902 CB HIS A 395 17.497 -38.568 39.910 1.00 20.25 C ATOM 903 CG HIS A 395 17.457 -39.630 38.847 1.00 21.43 C ATOM 904 ND1 HIS A 395 18.272 -39.618 37.732 1.00 21.77 N ATOM 905 CD2 HIS A 395 16.646 -40.706 38.696 1.00 23.37 C ATOM 906 CE1 HIS A 395 17.992 -40.640 36.957 1.00 22.42 C ATOM 907 NE2 HIS A 395 17.010 -41.323 37.522 1.00 24.47 N ATOM 908 H HIS A 395 17.805 -37.284 42.142 1.00 0.00 H ATOM 909 N GLU A 396 20.528 -38.282 38.808 1.00 18.14 N ATOM 910 CA GLU A 396 21.371 -37.675 37.779 1.00 19.95 C ATOM 911 C GLU A 396 20.610 -36.724 36.851 1.00 17.95 C ATOM 912 O GLU A 396 21.116 -35.653 36.524 1.00 17.08 O ATOM 913 CB GLU A 396 22.105 -38.764 37.001 1.00 24.69 C ATOM 914 CG GLU A 396 23.156 -38.302 35.996 1.00 32.66 C ATOM 915 CD GLU A 396 24.141 -37.244 36.534 1.00 42.29 C ATOM 916 OE1 GLU A 396 24.526 -37.316 37.732 1.00 51.01 O ATOM 917 OE2 GLU A 396 24.548 -36.323 35.761 1.00 45.35 O ATOM 918 H GLU A 396 20.538 -39.316 38.919 1.00 0.00 H ATOM 919 N VAL A 397 19.359 -37.024 36.514 1.00 17.12 N ATOM 920 CA VAL A 397 18.615 -36.237 35.576 1.00 15.76 C ATOM 921 C VAL A 397 18.286 -34.890 36.161 1.00 15.28 C ATOM 922 O VAL A 397 18.161 -33.935 35.411 1.00 15.44 O ATOM 923 CB VAL A 397 17.314 -36.928 35.120 1.00 16.09 C ATOM 924 CG1 VAL A 397 16.246 -36.958 36.216 1.00 15.88 C ATOM 925 CG2 VAL A 397 16.765 -36.239 33.892 1.00 15.39 C ATOM 926 H VAL A 397 18.907 -37.856 36.945 1.00 0.00 H ATOM 927 N VAL A 398 18.160 -34.793 37.497 1.00 13.70 N ATOM 928 CA VAL A 398 17.978 -33.478 38.142 1.00 13.04 C ATOM 929 C VAL A 398 19.206 -32.554 38.000 1.00 12.03 C ATOM 930 O VAL A 398 19.066 -31.364 37.724 1.00 10.69 O ATOM 931 CB VAL A 398 17.564 -33.660 39.626 1.00 13.20 C ATOM 932 CG1 VAL A 398 17.678 -32.372 40.419 1.00 13.12 C ATOM 933 CG2 VAL A 398 16.139 -34.182 39.683 1.00 12.85 C ATOM 934 H VAL A 398 18.191 -35.653 38.081 1.00 0.00 H ATOM 935 N ALA A 399 20.399 -33.109 38.177 1.00 12.03 N ATOM 936 CA ALA A 399 21.638 -32.363 37.962 1.00 11.72 C ATOM 937 C ALA A 399 21.785 -31.950 36.494 1.00 12.47 C ATOM 938 O ALA A 399 22.284 -30.846 36.228 1.00 12.21 O ATOM 939 CB ALA A 399 22.850 -33.174 38.378 1.00 12.09 C ATOM 940 H ALA A 399 20.454 -34.103 38.477 1.00 0.00 H ATOM 941 N MET A 400 21.354 -32.814 35.565 1.00 11.82 N ATOM 942 CA MET A 400 21.385 -32.483 34.167 1.00 12.65 C ATOM 943 C MET A 400 20.412 -31.330 33.835 1.00 12.10 C ATOM 944 O MET A 400 20.753 -30.384 33.105 1.00 11.45 O ATOM 945 CB MET A 400 21.032 -33.702 33.373 1.00 13.93 C ATOM 946 CG MET A 400 22.099 -34.800 33.464 1.00 14.94 C ATOM 947 SD MET A 400 21.476 -36.378 32.822 1.00 18.83 S ATOM 948 CE MET A 400 21.783 -36.217 31.116 1.00 17.81 C ATOM 949 H MET A 400 20.990 -33.742 35.861 1.00 0.00 H ATOM 950 N ALA A 401 19.214 -31.392 34.407 1.00 12.01 N ATOM 951 CA ALA A 401 18.217 -30.324 34.250 1.00 13.02 C ATOM 952 C ALA A 401 18.766 -28.990 34.716 1.00 13.05 C ATOM 953 O ALA A 401 18.580 -27.968 34.064 1.00 11.41 O ATOM 954 CB ALA A 401 16.909 -30.635 35.024 1.00 13.19 C ATOM 955 H ALA A 401 18.974 -32.223 34.984 1.00 0.00 H ATOM 956 N ARG A 402 19.415 -29.011 35.873 1.00 12.92 N ATOM 957 CA ARG A 402 19.914 -27.783 36.493 1.00 14.16 C ATOM 958 C ARG A 402 21.040 -27.147 35.665 1.00 14.00 C ATOM 959 O ARG A 402 21.064 -25.942 35.489 1.00 12.47 O ATOM 960 CB ARG A 402 20.341 -28.110 37.906 1.00 16.08 C ATOM 961 CG ARG A 402 20.913 -26.999 38.714 1.00 19.92 C ATOM 962 CD ARG A 402 21.188 -27.503 40.114 1.00 22.38 C ATOM 963 NE ARG A 402 19.961 -27.790 40.861 1.00 23.47 N ATOM 964 CZ ARG A 402 19.804 -28.851 41.688 1.00 26.56 C ATOM 965 NH1 ARG A 402 20.748 -29.778 41.815 1.00 25.00 N ATOM 966 NH2 ARG A 402 18.665 -29.016 42.356 1.00 28.07 N ATOM 967 HE ARG A 402 19.159 -27.137 40.749 1.00 0.00 H ATOM 968 HH12 ARG A 402 20.603 -30.583 42.457 1.00 0.00 H ATOM 969 HH11 ARG A 402 21.632 -29.698 41.272 1.00 0.00 H ATOM 970 HH22 ARG A 402 18.548 -29.832 42.990 1.00 0.00 H ATOM 971 HH21 ARG A 402 17.892 -28.329 42.244 1.00 0.00 H ATOM 972 H ARG A 402 19.573 -29.921 36.350 1.00 0.00 H ATOM 973 N LYS A 403 21.894 -27.984 35.089 1.00 14.25 N ATOM 974 CA LYS A 403 22.974 -27.545 34.203 1.00 15.44 C ATOM 975 C LYS A 403 22.358 -26.869 32.981 1.00 13.55 C ATOM 976 O LYS A 403 22.814 -25.806 32.550 1.00 12.22 O ATOM 977 CB LYS A 403 23.798 -28.752 33.789 1.00 19.27 C ATOM 978 CG LYS A 403 25.302 -28.668 33.916 1.00 26.71 C ATOM 979 CD LYS A 403 25.886 -30.022 34.407 1.00 34.36 C ATOM 980 CE LYS A 403 27.088 -30.538 33.616 1.00 39.53 C ATOM 981 NZ LYS A 403 28.193 -29.538 33.457 1.00 42.13 N ATOM 982 HZ1 LYS A 403 27.832 -28.702 32.955 1.00 0.00 H ATOM 983 HZ2 LYS A 403 28.542 -29.257 34.395 1.00 0.00 H ATOM 984 HZ3 LYS A 403 28.969 -29.964 32.911 1.00 0.00 H ATOM 985 H LYS A 403 21.791 -29.002 35.276 1.00 0.00 H ATOM 986 N LEU A 404 21.336 -27.498 32.398 1.00 12.17 N ATOM 987 CA LEU A 404 20.701 -26.925 31.228 1.00 11.45 C ATOM 988 C LEU A 404 19.976 -25.617 31.594 1.00 11.22 C ATOM 989 O LEU A 404 19.903 -24.701 30.797 1.00 12.60 O ATOM 990 CB LEU A 404 19.724 -27.914 30.580 1.00 11.48 C ATOM 991 CG LEU A 404 19.166 -27.446 29.228 1.00 12.13 C ATOM 992 CD1 LEU A 404 20.271 -27.226 28.231 1.00 12.63 C ATOM 993 CD2 LEU A 404 18.145 -28.445 28.667 1.00 13.51 C ATOM 994 H LEU A 404 20.994 -28.401 32.784 1.00 0.00 H ATOM 995 N GLN A 405 19.343 -25.603 32.754 1.00 10.48 N ATOM 996 CA GLN A 405 18.584 -24.494 33.202 1.00 10.24 C ATOM 997 C GLN A 405 19.528 -23.301 33.472 1.00 10.57 C ATOM 998 O GLN A 405 19.158 -22.169 33.232 1.00 9.83 O ATOM 999 CB GLN A 405 17.735 -24.849 34.432 1.00 10.22 C ATOM 1000 CG GLN A 405 16.994 -23.608 34.953 1.00 10.71 C ATOM 1001 CD GLN A 405 15.734 -23.873 35.743 1.00 10.84 C ATOM 1002 OE1 GLN A 405 15.618 -24.839 36.453 1.00 10.12 O ATOM 1003 NE2 GLN A 405 14.793 -22.926 35.654 1.00 11.83 N ATOM 1004 HE22 GLN A 405 14.936 -22.108 35.027 1.00 0.00 H ATOM 1005 HE21 GLN A 405 13.919 -23.008 36.211 1.00 0.00 H ATOM 1006 H GLN A 405 19.405 -26.443 33.365 1.00 0.00 H ATOM 1007 N ASP A 406 20.738 -23.569 33.954 1.00 11.47 N ATOM 1008 CA ASP A 406 21.739 -22.495 34.149 1.00 12.37 C ATOM 1009 C ASP A 406 21.977 -21.777 32.844 1.00 11.48 C ATOM 1010 O ASP A 406 22.119 -20.564 32.814 1.00 9.83 O ATOM 1011 CB ASP A 406 23.090 -23.054 34.632 1.00 13.77 C ATOM 1012 CG ASP A 406 23.047 -23.598 36.060 1.00 14.69 C ATOM 1013 OD1 ASP A 406 22.069 -23.272 36.812 1.00 14.12 O ATOM 1014 OD2 ASP A 406 24.018 -24.328 36.390 1.00 15.73 O ATOM 1015 H ASP A 406 20.986 -24.549 34.198 1.00 0.00 H ATOM 1016 N VAL A 407 22.060 -22.554 31.778 1.00 11.68 N ATOM 1017 CA VAL A 407 22.261 -22.019 30.421 1.00 11.34 C ATOM 1018 C VAL A 407 21.041 -21.191 30.049 1.00 11.59 C ATOM 1019 O VAL A 407 21.159 -20.033 29.653 1.00 11.94 O ATOM 1020 CB VAL A 407 22.439 -23.140 29.372 1.00 11.24 C ATOM 1021 CG1 VAL A 407 22.417 -22.586 27.914 1.00 10.71 C ATOM 1022 CG2 VAL A 407 23.721 -23.919 29.653 1.00 11.30 C ATOM 1023 H VAL A 407 21.980 -23.583 31.903 1.00 0.00 H ATOM 1024 N PHE A 408 19.854 -21.777 30.199 1.00 11.40 N ATOM 1025 CA PHE A 408 18.628 -21.070 29.836 1.00 10.80 C ATOM 1026 C PHE A 408 18.466 -19.743 30.545 1.00 10.26 C ATOM 1027 O PHE A 408 18.154 -18.739 29.923 1.00 10.18 O ATOM 1028 CB PHE A 408 17.343 -21.967 30.029 1.00 11.26 C ATOM 1029 CG PHE A 408 16.091 -21.176 29.924 1.00 12.35 C ATOM 1030 CD1 PHE A 408 15.639 -20.767 28.694 1.00 12.77 C ATOM 1031 CD2 PHE A 408 15.443 -20.710 31.062 1.00 12.65 C ATOM 1032 CE1 PHE A 408 14.523 -19.996 28.573 1.00 13.47 C ATOM 1033 CE2 PHE A 408 14.318 -19.949 30.962 1.00 13.08 C ATOM 1034 CZ PHE A 408 13.875 -19.545 29.722 1.00 15.60 C ATOM 1035 H PHE A 408 19.800 -22.744 30.577 1.00 0.00 H ATOM 1036 N GLU A 409 18.593 -19.764 31.862 1.00 11.34 N ATOM 1037 CA GLU A 409 18.336 -18.587 32.678 1.00 12.27 C ATOM 1038 C GLU A 409 19.304 -17.460 32.337 1.00 12.37 C ATOM 1039 O GLU A 409 18.865 -16.319 32.219 1.00 12.66 O ATOM 1040 CB GLU A 409 18.386 -18.894 34.170 1.00 12.28 C ATOM 1041 CG GLU A 409 17.295 -19.844 34.692 1.00 12.03 C ATOM 1042 CD GLU A 409 15.897 -19.308 34.600 1.00 12.80 C ATOM 1043 OE1 GLU A 409 15.690 -18.053 34.476 1.00 14.06 O ATOM 1044 OE2 GLU A 409 14.949 -20.143 34.625 1.00 14.66 O ATOM 1045 H GLU A 409 18.885 -20.647 32.327 1.00 0.00 H ATOM 1046 N MET A 410 20.579 -17.790 32.103 1.00 12.52 N ATOM 1047 CA MET A 410 21.573 -16.791 31.715 1.00 12.79 C ATOM 1048 C MET A 410 21.247 -16.196 30.333 1.00 12.75 C ATOM 1049 O MET A 410 21.143 -14.971 30.195 1.00 12.35 O ATOM 1050 CB MET A 410 22.972 -17.383 31.765 1.00 13.41 C ATOM 1051 CG MET A 410 24.094 -16.387 31.390 1.00 14.25 C ATOM 1052 SD MET A 410 24.117 -14.938 32.500 1.00 17.02 S ATOM 1053 CE MET A 410 24.510 -15.755 34.027 1.00 17.25 C ATOM 1054 H MET A 410 20.871 -18.784 32.200 1.00 0.00 H ATOM 1055 N ARG A 411 21.009 -17.040 29.327 1.00 13.23 N ATOM 1056 CA ARG A 411 20.699 -16.523 28.016 1.00 13.49 C ATOM 1057 C ARG A 411 19.404 -15.703 28.005 1.00 13.05 C ATOM 1058 O ARG A 411 19.340 -14.624 27.374 1.00 14.08 O ATOM 1059 CB ARG A 411 20.552 -17.632 26.990 1.00 15.31 C ATOM 1060 CG ARG A 411 21.766 -18.508 26.799 1.00 17.23 C ATOM 1061 CD ARG A 411 23.015 -17.793 26.183 1.00 17.95 C ATOM 1062 NE ARG A 411 24.023 -18.823 26.085 1.00 18.93 N ATOM 1063 CZ ARG A 411 24.910 -19.158 27.013 1.00 20.38 C ATOM 1064 NH1 ARG A 411 25.057 -18.438 28.147 1.00 24.84 N ATOM 1065 NH2 ARG A 411 25.682 -20.222 26.810 1.00 21.47 N ATOM 1066 HE ARG A 411 24.057 -19.358 25.194 1.00 0.00 H ATOM 1067 HH12 ARG A 411 25.761 -18.724 28.857 1.00 0.00 H ATOM 1068 HH11 ARG A 411 24.466 -17.598 28.310 1.00 0.00 H ATOM 1069 HH22 ARG A 411 26.383 -20.500 27.526 1.00 0.00 H ATOM 1070 HH21 ARG A 411 25.585 -20.776 25.935 1.00 0.00 H ATOM 1071 H ARG A 411 21.047 -18.067 29.487 1.00 0.00 H ATOM 1072 N PHE A 412 18.392 -16.180 28.738 1.00 12.51 N ATOM 1073 CA PHE A 412 17.107 -15.506 28.767 1.00 12.93 C ATOM 1074 C PHE A 412 17.201 -14.106 29.434 1.00 13.46 C ATOM 1075 O PHE A 412 16.593 -13.160 28.973 1.00 13.53 O ATOM 1076 CB PHE A 412 16.023 -16.332 29.486 1.00 14.14 C ATOM 1077 CG PHE A 412 14.634 -15.764 29.329 1.00 14.70 C ATOM 1078 CD1 PHE A 412 14.006 -15.792 28.081 1.00 14.39 C ATOM 1079 CD2 PHE A 412 13.959 -15.187 30.418 1.00 15.51 C ATOM 1080 CE1 PHE A 412 12.744 -15.253 27.926 1.00 15.62 C ATOM 1081 CE2 PHE A 412 12.697 -14.657 30.260 1.00 16.33 C ATOM 1082 CZ PHE A 412 12.094 -14.685 28.997 1.00 16.98 C ATOM 1083 H PHE A 412 18.528 -17.047 29.296 1.00 0.00 H ATOM 1084 N ALA A 413 17.965 -14.016 30.510 1.00 12.70 N ATOM 1085 CA ALA A 413 18.151 -12.748 31.199 1.00 13.50 C ATOM 1086 C ALA A 413 18.923 -11.724 30.319 1.00 14.39 C ATOM 1087 O ALA A 413 18.685 -10.547 30.448 1.00 12.54 O ATOM 1088 CB ALA A 413 18.908 -12.965 32.491 1.00 14.08 C ATOM 1089 H ALA A 413 18.442 -14.867 30.870 1.00 0.00 H ATOM 1090 N LYS A 414 19.830 -12.191 29.454 1.00 16.29 N ATOM 1091 CA LYS A 414 20.569 -11.277 28.610 1.00 17.20 C ATOM 1092 C LYS A 414 19.805 -10.899 27.355 1.00 18.65 C ATOM 1093 O LYS A 414 20.410 -10.336 26.442 1.00 17.72 O ATOM 1094 CB LYS A 414 21.931 -11.887 28.200 1.00 18.12 C ATOM 1095 CG LYS A 414 22.872 -12.229 29.345 1.00 19.12 C ATOM 1096 CD LYS A 414 23.239 -11.072 30.231 1.00 19.51 C ATOM 1097 CE LYS A 414 24.293 -11.463 31.262 1.00 20.00 C ATOM 1098 NZ LYS A 414 24.607 -10.274 32.123 1.00 23.39 N ATOM 1099 HZ1 LYS A 414 24.970 -9.502 31.528 1.00 0.00 H ATOM 1100 HZ2 LYS A 414 23.742 -9.961 32.609 1.00 0.00 H ATOM 1101 HZ3 LYS A 414 25.326 -10.538 32.827 1.00 0.00 H ATOM 1102 H LYS A 414 20.005 -13.214 29.388 1.00 0.00 H ATOM 1103 N MET A 415 18.545 -11.281 27.227 1.00 17.18 N ATOM 1104 CA MET A 415 17.779 -10.920 26.053 1.00 17.93 C ATOM 1105 C MET A 415 17.766 -9.398 25.861 1.00 18.80 C ATOM 1106 O MET A 415 17.457 -8.684 26.789 1.00 18.66 O ATOM 1107 CB MET A 415 16.321 -11.419 26.182 1.00 18.58 C ATOM 1108 CG MET A 415 15.475 -11.083 24.964 1.00 19.60 C ATOM 1109 SD MET A 415 13.910 -11.961 24.934 1.00 21.26 S ATOM 1110 CE MET A 415 13.142 -11.143 26.338 1.00 22.00 C ATOM 1111 H MET A 415 18.100 -11.847 27.978 1.00 0.00 H ATOM 1112 N PRO A 416 18.117 -8.910 24.652 1.00 19.48 N ATOM 1113 CA PRO A 416 18.155 -7.466 24.420 1.00 20.80 C ATOM 1114 C PRO A 416 16.798 -6.851 24.369 1.00 22.28 C ATOM 1115 O PRO A 416 15.838 -7.406 23.821 1.00 24.89 O ATOM 1116 CB PRO A 416 18.812 -7.339 23.040 1.00 19.52 C ATOM 1117 CG PRO A 416 19.566 -8.626 22.876 1.00 18.82 C ATOM 1118 CD PRO A 416 18.632 -9.636 23.471 1.00 17.53 C ATOM 1119 OXT PRO A 416 16.698 -5.742 24.914 1.00 27.24 O TER 1120 PRO A 416 HETATM 1121 O HOH 1 0.737 -29.955 38.810 1.00 25.73 O HETATM 1122 O HOH 2 1.217 -35.430 42.909 1.00 34.50 O HETATM 1123 O HOH 3 11.342 -15.162 12.157 1.00 40.58 O HETATM 1124 O HOH 4 1.004 -26.833 29.209 1.00 36.37 O HETATM 1125 O HOH 5 6.298 -13.440 16.960 1.00 31.01 O HETATM 1126 O HOH 6 7.841 -10.095 21.949 1.00 31.09 O HETATM 1127 O HOH 7 10.000 -8.321 20.049 1.00 23.95 O HETATM 1128 O HOH 8 3.819 -34.135 25.795 1.00 18.87 O HETATM 1129 O HOH 9 9.794 -7.351 16.547 1.00 25.61 O HETATM 1130 O HOH 10 16.421 -10.522 18.029 1.00 15.56 O HETATM 1131 O HOH 11 15.561 -8.863 21.773 1.00 40.38 O HETATM 1132 O HOH 12 11.713 -31.888 16.913 1.00 26.80 O HETATM 1133 O HOH 13 17.425 -16.581 15.735 1.00 29.61 O HETATM 1134 O HOH 14 16.760 -11.103 15.326 1.00 27.88 O HETATM 1135 O HOH 15 23.249 -13.042 24.200 1.00 25.46 O HETATM 1136 O HOH 16 13.192 -23.616 16.303 1.00 29.43 O HETATM 1137 O HOH 17 11.320 -20.810 14.382 1.00 25.28 O HETATM 1138 O HOH 18 21.770 -20.627 19.183 1.00 33.55 O HETATM 1139 O HOH 19 20.746 -18.023 16.507 1.00 27.85 O HETATM 1140 O HOH 20 6.035 -27.097 39.124 1.00 24.18 O HETATM 1141 O HOH 21 19.902 -26.837 17.696 1.00 23.95 O HETATM 1142 O HOH 22 21.686 -30.396 23.519 1.00 13.91 O HETATM 1143 O HOH 23 18.689 -32.142 18.916 1.00 29.75 O HETATM 1144 O HOH 24 25.096 -28.653 17.066 1.00 24.34 O HETATM 1145 O HOH 25 27.592 -31.529 26.209 1.00 18.87 O HETATM 1146 O HOH 26 27.320 -11.330 29.636 1.00 28.06 O HETATM 1147 O HOH 27 27.027 -25.705 30.572 1.00 19.86 O HETATM 1148 O HOH 28 14.001 -37.056 25.602 1.00 19.99 O HETATM 1149 O HOH 29 13.881 -38.090 29.863 1.00 14.31 O HETATM 1150 O HOH 30 11.695 -35.105 28.321 1.00 13.39 O HETATM 1151 O HOH 31 14.240 -32.784 20.070 1.00 25.19 O HETATM 1152 O HOH 32 11.785 -39.098 25.723 1.00 18.04 O HETATM 1153 O HOH 33 8.844 -39.620 23.450 1.00 25.00 O HETATM 1154 O HOH 34 11.394 -40.883 27.400 1.00 17.85 O HETATM 1155 O HOH 35 7.347 -34.981 28.724 1.00 17.89 O HETATM 1156 O HOH 36 5.522 -36.998 28.569 1.00 20.55 O HETATM 1157 O HOH 37 4.601 -40.724 28.444 1.00 16.06 O HETATM 1158 O HOH 38 13.671 -46.510 33.696 1.00 24.13 O HETATM 1159 O HOH 39 2.911 -43.018 34.049 1.00 27.07 O HETATM 1160 O HOH 40 0.874 -42.279 35.909 1.00 32.16 O HETATM 1161 O HOH 41 8.303 -42.642 41.406 1.00 17.81 O HETATM 1162 O HOH 42 7.746 -39.698 41.437 1.00 21.37 O HETATM 1163 O HOH 43 7.622 -33.243 31.065 1.00 7.89 O HETATM 1164 O HOH 44 9.845 -34.745 33.774 1.00 11.10 O HETATM 1165 O HOH 45 0.554 -36.095 31.875 1.00 29.34 O HETATM 1166 O HOH 46 -3.740 -39.384 38.471 1.00 29.56 O HETATM 1167 O HOH 47 0.915 -42.614 41.212 1.00 17.13 O HETATM 1168 O HOH 48 2.289 -31.445 37.541 1.00 17.78 O HETATM 1169 O HOH 49 1.050 -33.682 40.768 1.00 22.73 O HETATM 1170 O HOH 50 2.988 -30.653 35.198 1.00 12.94 O HETATM 1171 O HOH 51 1.539 -29.390 29.084 1.00 28.13 O HETATM 1172 O HOH 52 1.873 -28.281 35.766 1.00 26.08 O HETATM 1173 O HOH 53 6.481 -33.407 26.742 1.00 12.07 O HETATM 1174 O HOH 54 11.130 -32.828 29.479 1.00 12.71 O HETATM 1175 O HOH 55 26.043 -16.092 22.920 1.00 25.49 O HETATM 1176 O HOH 56 9.555 -30.469 17.106 1.00 20.53 O HETATM 1177 O HOH 57 4.684 -26.496 14.319 1.00 22.35 O HETATM 1178 O HOH 58 6.205 -18.678 18.532 1.00 17.26 O HETATM 1179 O HOH 59 7.858 -22.150 11.099 1.00 27.07 O HETATM 1180 O HOH 60 0.837 -23.255 14.496 1.00 18.98 O HETATM 1181 O HOH 61 -0.547 -17.283 17.721 1.00 37.16 O HETATM 1182 O HOH 62 5.418 -16.505 17.568 1.00 25.03 O HETATM 1183 O HOH 63 2.591 -15.159 27.650 1.00 33.63 O HETATM 1184 O HOH 64 8.219 -10.686 24.115 1.00 26.62 O HETATM 1185 O HOH 65 7.420 -16.671 31.739 1.00 22.83 O HETATM 1186 O HOH 66 3.692 -20.646 27.617 1.00 31.31 O HETATM 1187 O HOH 67 4.052 -22.762 30.212 1.00 32.13 O HETATM 1188 O HOH 68 6.678 -22.215 34.165 1.00 18.92 O HETATM 1189 O HOH 69 4.190 -22.818 33.101 1.00 23.25 O HETATM 1190 O HOH 70 7.540 -24.019 36.376 1.00 26.37 O HETATM 1191 O HOH 71 11.856 -23.869 36.321 1.00 15.85 O HETATM 1192 O HOH 72 8.045 -18.750 33.797 1.00 18.78 O HETATM 1193 O HOH 73 12.447 -13.910 34.902 1.00 27.11 O HETATM 1194 O HOH 74 10.470 -32.672 32.048 1.00 17.50 O HETATM 1195 O HOH 75 10.576 -25.300 39.868 1.00 14.70 O HETATM 1196 O HOH 76 5.574 -28.816 37.203 1.00 25.12 O HETATM 1197 O HOH 77 13.935 -33.695 42.411 1.00 16.79 O HETATM 1198 O HOH 78 17.550 -26.053 39.841 1.00 19.88 O HETATM 1199 O HOH 79 5.108 -27.024 41.349 1.00 16.82 O HETATM 1200 O HOH 80 19.152 -31.795 43.915 1.00 24.81 O HETATM 1201 O HOH 81 20.809 -34.478 41.437 1.00 26.00 O HETATM 1202 O HOH 82 21.833 -39.030 47.489 1.00 39.86 O HETATM 1203 O HOH 83 20.583 -40.974 38.892 1.00 28.38 O HETATM 1204 O HOH 84 25.041 -33.297 35.258 1.00 24.22 O HETATM 1205 O HOH 85 23.883 -29.499 37.905 1.00 15.84 O HETATM 1206 O HOH 86 17.016 -27.228 41.832 1.00 24.16 O HETATM 1207 O HOH 87 23.668 -30.344 40.363 1.00 21.15 O HETATM 1208 O HOH 88 25.308 -24.734 32.448 1.00 22.99 O HETATM 1209 O HOH 89 22.510 -18.689 35.004 1.00 21.53 O HETATM 1210 O HOH 90 21.256 -19.817 37.074 1.00 20.38 O HETATM 1211 O HOH 91 22.560 -24.252 39.321 1.00 16.93 O HETATM 1212 O HOH 92 24.608 -26.834 37.870 1.00 22.99 O HETATM 1213 O HOH 93 25.056 -24.965 39.812 1.00 29.79 O HETATM 1214 O HOH 94 26.356 -23.944 35.119 1.00 26.25 O HETATM 1215 O HOH 95 25.124 -13.101 25.911 1.00 17.90 O HETATM 1216 O HOH 96 16.587 -15.633 33.563 1.00 16.48 O HETATM 1217 O HOH 97 14.942 -16.858 36.993 1.00 20.12 O HETATM 1218 O HOH 98 26.220 -13.978 30.322 1.00 23.14 O HETATM 1219 O HOH 99 25.588 -12.324 33.903 1.00 31.73 O HETATM 1220 O HOH 100 24.544 -15.373 28.120 1.00 12.06 O HETATM 1221 O HOH 101 14.822 -11.299 29.672 1.00 17.79 O HETATM 1222 O HOH 102 16.707 -8.498 29.262 1.00 33.47 O HETATM 1223 O HOH 103 22.555 -10.545 24.645 1.00 22.96 O HETATM 1224 O HOH 104 13.378 -30.945 18.536 1.00 23.78 O HETATM 1225 O HOH 105 3.629 -36.735 27.013 1.00 23.06 O HETATM 1226 O HOH 106 23.853 -14.408 22.117 1.00 23.53 O HETATM 1227 O1 UNN A 107 12.178 -36.176 34.043 1.00 -0.40 O HETATM 1228 C8 UNN A 107 12.652 -36.480 32.977 1.00 0.17 C HETATM 1229 C9 UNN A 107 13.048 -35.406 32.015 1.00 0.03 C HETATM 1230 H1 UNN A 107 13.458 -35.864 31.103 1.00 0.05 H HETATM 1231 H2 UNN A 107 13.811 -34.763 32.477 1.00 0.05 H HETATM 1232 H3 UNN A 107 12.166 -34.801 31.757 1.00 0.05 H HETATM 1233 N1 UNN A 107 12.815 -37.722 32.555 1.00 -0.29 N HETATM 1234 C7 UNN A 107 12.409 -38.915 33.285 1.00 0.03 C HETATM 1235 C6 UNN A 107 13.550 -39.618 34.057 1.00 -0.03 C HETATM 1236 C5 UNN A 107 14.897 -39.757 33.301 1.00 -0.05 C HETATM 1237 C4 UNN A 107 15.334 -41.215 33.021 1.00 -0.05 C HETATM 1238 C3 UNN A 107 16.627 -41.297 32.184 1.00 -0.03 C HETATM 1239 C2 UNN A 107 16.864 -42.685 31.598 1.00 0.03 C HETATM 1240 N UNN A 107 16.889 -42.790 30.149 1.00 -0.29 N HETATM 1241 C1 UNN A 107 16.063 -42.228 29.201 1.00 0.17 C HETATM 1242 O UNN A 107 16.155 -42.615 28.044 1.00 -0.40 O HETATM 1243 C UNN A 107 14.983 -41.174 29.427 1.00 0.03 C HETATM 1244 H18 UNN A 107 14.500 -40.933 28.469 1.00 0.05 H HETATM 1245 H19 UNN A 107 15.440 -40.265 29.846 1.00 0.05 H HETATM 1246 H20 UNN A 107 14.231 -41.564 30.129 1.00 0.05 H HETATM 1247 H17 UNN A 107 17.623 -43.361 29.782 1.00 0.18 H HETATM 1248 H15 UNN A 107 16.062 -43.342 31.965 1.00 0.05 H HETATM 1249 H16 UNN A 107 17.833 -43.044 31.974 1.00 0.05 H HETATM 1250 H13 UNN A 107 17.480 -41.037 32.828 1.00 0.03 H HETATM 1251 H14 UNN A 107 16.558 -40.574 31.358 1.00 0.03 H HETATM 1252 H11 UNN A 107 14.528 -41.725 32.474 1.00 0.03 H HETATM 1253 H12 UNN A 107 15.504 -41.722 33.982 1.00 0.03 H HETATM 1254 H9 UNN A 107 15.680 -39.275 33.904 1.00 0.03 H HETATM 1255 H10 UNN A 107 14.804 -39.236 32.337 1.00 0.03 H HETATM 1256 H7 UNN A 107 13.206 -40.629 34.320 1.00 0.03 H HETATM 1257 H8 UNN A 107 13.738 -39.044 34.977 1.00 0.03 H HETATM 1258 H5 UNN A 107 11.990 -39.632 32.564 1.00 0.05 H HETATM 1259 H6 UNN A 107 11.632 -38.627 34.009 1.00 0.05 H HETATM 1260 H4 UNN A 107 13.251 -37.853 31.665 1.00 0.18 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1227 1228 CONECT 1228 1227 1229 1233 CONECT 1229 1228 1230 1231 1232 CONECT 1230 1229 CONECT 1231 1229 CONECT 1232 1229 CONECT 1233 1228 1234 1260 CONECT 1234 1233 1235 1258 1259 CONECT 1235 1234 1236 1256 1257 CONECT 1236 1235 1237 1254 1255 CONECT 1237 1236 1238 1252 1253 CONECT 1238 1237 1239 1250 1251 CONECT 1239 1238 1240 1248 1249 CONECT 1240 1239 1241 1247 CONECT 1241 1240 1242 1243 CONECT 1242 1241 CONECT 1243 1241 1244 1245 1246 CONECT 1244 1243 CONECT 1245 1243 CONECT 1246 1243 CONECT 1247 1240 CONECT 1248 1239 CONECT 1249 1239 CONECT 1250 1238 CONECT 1251 1238 CONECT 1252 1237 CONECT 1253 1237 CONECT 1254 1236 CONECT 1255 1236 CONECT 1256 1235 CONECT 1257 1235 CONECT 1258 1234 CONECT 1259 1234 CONECT 1260 1233 MASTER 0 0 0 0 0 0 0 0 1259 1 38 9 END
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Structure:
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Related entries of code: 5a7c
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5hjc
RCSB PDB
PDBbind
110aa, >5HJC_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5a7c
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
BRD3 bromodomain 2 (BRD3 BD2)
Ligand Name
5D4
EC.Number
E.C.-.-.-.-
Resolution
1.9(Å)
Affinity (Kd/Ki/IC50)
IC50=180uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Cancer Res. Vol. 76: pp. 2376-2397
Ligand Properties
Formula
C
1
0
H
2
0
N
2
O
2
Molecular Weight
200.278
Exact Mass
200.152
No. of atoms
34
No. of bonds
33
Polar Surface Area
58.2
LOGP Value
0.28 (
Computed with XLOGP3
)
1.60 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 0
Canonical SMILES
CC(=O)NCCCCCCNC(=O)C
InChI String
InChI=1S/C10H20N2O2/c1-9(13)11-7-5-3-4-6-8-12-10(2)14/h3-8H2,1-2H3,(H,11,13)(H,12,14)
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):
Q15059
Entrez Gene ID
NCBI Entrez Gene ID:
8019
ASD
Information of known allosteric effects of PDB entries
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