Browse entries in the PDBbind-CN Database
HEADER 5SZB_COMPLEX COMPND 5SZB_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 115 GLY THR VAL ILE PRO ASN ASN TYR CYS ASP PHE CYS LEU SEQRES 2 A 115 GLY GLY SER ASN MET ASN LYS LYS SER GLY ARG PRO GLU SEQRES 3 A 115 GLU LEU VAL SER CYS ALA ASP CYS GLY ARG SER GLY HIS SEQRES 4 A 115 PRO THR CYS LEU GLN PHE THR LEU ASN MET THR GLU ALA SEQRES 5 A 115 VAL LYS THR TYR LYS TRP GLN CYS ILE GLU CYS LYS SER SEQRES 6 A 115 CYS ILE LEU CYS GLY THR SER GLU ASN ASP ASP GLN LEU SEQRES 7 A 115 LEU PHE CYS ASP ASP CYS ASP ARG GLY TYR HIS MET TYR SEQRES 8 A 115 CYS LEU ASN PRO PRO VAL ALA GLU PRO PRO GLU GLY SER SEQRES 9 A 115 TRP SER CYS HIS LEU CYS TRP GLU LEU LEU LYS HET ZN A 1 1 HET ZN A 2 1 HET ZN A 3 1 HET ZN A 4 1 HET ALA A 297 235 ATOM 1 N GLY A 254 26.599 22.877 72.978 1.00 27.97 N ATOM 2 CA GLY A 254 26.565 21.526 72.439 1.00 26.55 C ATOM 3 C GLY A 254 26.571 21.527 70.930 1.00 25.91 C ATOM 4 O GLY A 254 27.088 22.442 70.288 1.00 26.83 O ATOM 5 HN3 GLY A 254 25.765 23.402 72.647 1.00 0.00 H ATOM 6 HN2 GLY A 254 27.463 23.357 72.654 1.00 0.00 H ATOM 7 HN1 GLY A 254 26.594 22.835 74.017 1.00 0.00 H ATOM 8 N THR A 255 25.991 20.475 70.367 1.00 25.92 N ATOM 9 CA THR A 255 25.984 20.245 68.931 1.00 26.09 C ATOM 10 C THR A 255 24.801 20.940 68.219 1.00 28.01 C ATOM 11 O THR A 255 24.707 20.841 66.991 1.00 30.51 O ATOM 12 CB THR A 255 26.008 18.720 68.671 1.00 26.56 C ATOM 13 OG1 THR A 255 24.689 18.184 68.806 1.00 27.35 O ATOM 14 CG2 THR A 255 26.926 17.984 69.678 1.00 25.91 C ATOM 15 HG1 THR A 255 24.089 18.619 68.150 1.00 0.00 H ATOM 16 H THR A 255 25.519 19.782 70.982 1.00 0.00 H ATOM 17 N VAL A 256 23.915 21.642 68.965 1.00 28.39 N ATOM 18 CA VAL A 256 22.749 22.371 68.409 1.00 28.37 C ATOM 19 C VAL A 256 23.128 23.233 67.226 1.00 27.47 C ATOM 20 O VAL A 256 24.066 24.034 67.325 1.00 31.96 O ATOM 21 CB VAL A 256 22.133 23.380 69.415 1.00 28.90 C ATOM 22 CG1 VAL A 256 20.777 23.897 68.916 1.00 28.34 C ATOM 23 CG2 VAL A 256 21.934 22.895 70.801 1.00 29.58 C ATOM 24 H VAL A 256 24.062 21.672 69.994 1.00 0.00 H ATOM 25 N ILE A 257 22.279 23.234 66.199 1.00 25.78 N ATOM 26 CA ILE A 257 22.270 24.198 65.086 1.00 23.38 C ATOM 27 C ILE A 257 20.809 24.522 64.815 1.00 20.49 C ATOM 28 O ILE A 257 20.005 23.584 64.724 1.00 21.61 O ATOM 29 CB ILE A 257 22.935 23.601 63.829 1.00 23.08 C ATOM 30 CG1 ILE A 257 24.418 23.346 64.069 1.00 25.65 C ATOM 31 CG2 ILE A 257 22.781 24.509 62.600 1.00 24.03 C ATOM 32 CD1 ILE A 257 25.105 24.505 64.723 1.00 28.28 C ATOM 33 H ILE A 257 21.557 22.486 66.182 1.00 0.00 H ATOM 34 N PRO A 258 20.388 25.790 64.695 1.00 18.11 N ATOM 35 CA PRO A 258 18.966 26.037 64.452 1.00 16.11 C ATOM 36 C PRO A 258 18.527 25.477 63.115 1.00 13.67 C ATOM 37 O PRO A 258 19.212 25.626 62.107 1.00 14.73 O ATOM 38 CB PRO A 258 18.858 27.561 64.456 1.00 19.00 C ATOM 39 CG PRO A 258 19.975 28.006 65.289 1.00 22.33 C ATOM 40 CD PRO A 258 21.092 27.069 64.920 1.00 20.77 C ATOM 41 N ASN A 259 17.362 24.862 63.102 1.00 12.50 N ATOM 42 CA ASN A 259 16.797 24.407 61.850 1.00 11.70 C ATOM 43 C ASN A 259 16.461 25.607 60.982 1.00 10.85 C ATOM 44 O ASN A 259 16.017 26.653 61.469 1.00 11.37 O ATOM 45 CB ASN A 259 15.528 23.618 62.112 1.00 11.59 C ATOM 46 CG ASN A 259 15.797 22.259 62.645 1.00 12.59 C ATOM 47 OD1 ASN A 259 16.950 21.871 62.850 1.00 14.90 O ATOM 48 ND2 ASN A 259 14.732 21.532 62.928 1.00 13.57 N ATOM 49 HD22 ASN A 259 13.781 21.906 62.735 1.00 0.00 H ATOM 50 HD21 ASN A 259 14.844 20.585 63.344 1.00 0.00 H ATOM 51 H ASN A 259 16.848 24.703 63.992 1.00 0.00 H ATOM 52 N ASN A 260 16.657 25.452 59.690 1.00 11.48 N ATOM 53 CA ASN A 260 16.393 26.536 58.766 1.00 11.54 C ATOM 54 C ASN A 260 14.992 26.489 58.183 1.00 10.88 C ATOM 55 O ASN A 260 14.719 27.183 57.202 1.00 11.59 O ATOM 56 CB ASN A 260 17.436 26.533 57.655 1.00 13.91 C ATOM 57 CG ASN A 260 17.278 25.374 56.691 1.00 15.98 C ATOM 58 OD1 ASN A 260 16.407 24.524 56.830 1.00 15.76 O ATOM 59 ND2 ASN A 260 18.147 25.338 55.695 1.00 21.15 N ATOM 60 HD22 ASN A 260 18.872 26.078 55.611 1.00 0.00 H ATOM 61 HD21 ASN A 260 18.105 24.569 54.996 1.00 0.00 H ATOM 62 H ASN A 260 17.005 24.541 59.328 1.00 0.00 H ATOM 63 N TYR A 261 14.097 25.711 58.776 1.00 10.88 N ATOM 64 CA TYR A 261 12.735 25.603 58.279 1.00 10.84 C ATOM 65 C TYR A 261 11.778 25.577 59.458 1.00 9.40 C ATOM 66 O TYR A 261 12.131 25.153 60.567 1.00 9.55 O ATOM 67 CB TYR A 261 12.558 24.336 57.419 1.00 12.14 C ATOM 68 CG TYR A 261 12.725 23.081 58.219 1.00 11.68 C ATOM 69 CD1 TYR A 261 13.980 22.530 58.428 1.00 11.28 C ATOM 70 CD2 TYR A 261 11.640 22.465 58.804 1.00 12.43 C ATOM 71 CE1 TYR A 261 14.133 21.387 59.171 1.00 12.32 C ATOM 72 CE2 TYR A 261 11.780 21.332 59.543 1.00 13.12 C ATOM 73 CZ TYR A 261 13.036 20.800 59.738 1.00 12.34 C ATOM 74 OH TYR A 261 13.184 19.667 60.484 1.00 14.66 O ATOM 75 HH TYR A 261 14.142 19.422 60.524 1.00 0.00 H ATOM 76 H TYR A 261 14.376 25.165 59.616 1.00 0.00 H ATOM 77 N CYS A 262 10.555 26.006 59.193 1.00 8.46 N ATOM 78 CA CYS A 262 9.509 26.035 60.193 1.00 8.67 C ATOM 79 C CYS A 262 8.868 24.666 60.334 1.00 8.93 C ATOM 80 O CYS A 262 8.458 24.046 59.349 1.00 9.87 O ATOM 81 CB CYS A 262 8.460 27.041 59.738 1.00 8.91 C ATOM 82 SG CYS A 262 6.982 27.127 60.741 1.00 8.50 S ATOM 83 H CYS A 262 10.337 26.335 58.231 1.00 0.00 H ATOM 84 N ASP A 263 8.750 24.202 61.568 1.00 8.83 N ATOM 85 CA ASP A 263 8.132 22.911 61.809 1.00 10.82 C ATOM 86 C ASP A 263 6.700 22.860 61.318 1.00 12.15 C ATOM 87 O ASP A 263 6.200 21.776 61.019 1.00 14.40 O ATOM 88 CB ASP A 263 8.103 22.623 63.306 1.00 12.08 C ATOM 89 CG ASP A 263 9.371 21.977 63.824 1.00 13.40 C ATOM 90 OD1 ASP A 263 10.229 21.582 63.005 1.00 13.09 O ATOM 91 OD2 ASP A 263 9.461 21.869 65.068 1.00 16.74 O ATOM 92 H ASP A 263 9.102 24.765 62.369 1.00 0.00 H ATOM 93 N PHE A 264 6.011 23.995 61.276 1.00 10.85 N ATOM 94 CA PHE A 264 4.589 24.022 60.966 1.00 11.62 C ATOM 95 C PHE A 264 4.345 24.071 59.468 1.00 11.80 C ATOM 96 O PHE A 264 3.530 23.311 58.951 1.00 15.48 O ATOM 97 CB PHE A 264 3.932 25.232 61.628 1.00 12.97 C ATOM 98 CG PHE A 264 4.033 25.245 63.120 1.00 16.11 C ATOM 99 CD1 PHE A 264 5.124 25.825 63.745 1.00 16.06 C ATOM 100 CD2 PHE A 264 3.040 24.692 63.898 1.00 19.78 C ATOM 101 CE1 PHE A 264 5.227 25.841 65.115 1.00 18.78 C ATOM 102 CE2 PHE A 264 3.132 24.724 65.257 1.00 21.82 C ATOM 103 CZ PHE A 264 4.232 25.302 65.867 1.00 21.52 C ATOM 104 H PHE A 264 6.502 24.891 61.470 1.00 0.00 H ATOM 105 N CYS A 265 5.021 24.965 58.763 1.00 10.57 N ATOM 106 CA CYS A 265 4.727 25.171 57.356 1.00 9.83 C ATOM 107 C CYS A 265 5.847 24.728 56.436 1.00 10.06 C ATOM 108 O CYS A 265 5.660 24.761 55.219 1.00 11.39 O ATOM 109 CB CYS A 265 4.385 26.645 57.091 1.00 9.27 C ATOM 110 SG CYS A 265 5.804 27.728 57.155 1.00 8.88 S ATOM 111 H CYS A 265 5.769 25.524 59.221 1.00 0.00 H ATOM 112 N LEU A 266 7.003 24.365 56.980 1.00 9.88 N ATOM 113 CA LEU A 266 8.163 23.887 56.240 1.00 10.96 C ATOM 114 C LEU A 266 8.865 24.978 55.457 1.00 11.62 C ATOM 115 O LEU A 266 9.810 24.674 54.720 1.00 13.92 O ATOM 116 CB LEU A 266 7.847 22.702 55.328 1.00 13.34 C ATOM 117 CG LEU A 266 7.242 21.534 56.093 1.00 15.12 C ATOM 118 CD1 LEU A 266 7.110 20.397 55.113 1.00 18.55 C ATOM 119 CD2 LEU A 266 8.075 21.088 57.301 1.00 15.75 C ATOM 120 H LEU A 266 7.086 24.427 58.015 1.00 0.00 H ATOM 121 N GLY A 267 8.450 26.230 55.588 1.00 9.74 N ATOM 122 CA GLY A 267 9.136 27.295 54.914 1.00 10.46 C ATOM 123 C GLY A 267 10.340 27.773 55.691 1.00 9.75 C ATOM 124 O GLY A 267 10.416 27.662 56.915 1.00 10.20 O ATOM 125 H GLY A 267 7.623 26.442 56.182 1.00 0.00 H ATOM 126 N GLY A 268 11.289 28.321 54.957 1.00 10.34 N ATOM 127 CA GLY A 268 12.402 29.004 55.562 1.00 10.11 C ATOM 128 C GLY A 268 12.025 30.407 55.956 1.00 10.09 C ATOM 129 O GLY A 268 10.874 30.832 55.877 1.00 9.73 O ATOM 130 H GLY A 268 11.232 28.258 53.920 1.00 0.00 H ATOM 131 N SER A 269 13.029 31.139 56.403 1.00 10.95 N ATOM 132 CA SER A 269 12.798 32.534 56.747 1.00 12.01 C ATOM 133 C SER A 269 12.455 33.362 55.525 1.00 11.53 C ATOM 134 O SER A 269 11.862 34.435 55.653 1.00 12.52 O ATOM 135 CB SER A 269 14.033 33.120 57.425 1.00 13.69 C ATOM 136 OG SER A 269 15.174 32.960 56.601 1.00 19.14 O ATOM 137 HG SER A 269 15.326 31.996 56.433 1.00 0.00 H ATOM 138 H SER A 269 13.976 30.722 56.508 1.00 0.00 H ATOM 139 N ASN A 270 12.802 32.895 54.336 1.00 11.22 N ATOM 140 CA ASN A 270 12.504 33.683 53.155 1.00 12.42 C ATOM 141 C ASN A 270 11.037 33.617 52.775 1.00 11.55 C ATOM 142 O ASN A 270 10.585 34.476 52.021 1.00 13.43 O ATOM 143 CB ASN A 270 13.337 33.215 51.971 1.00 14.87 C ATOM 144 CG ASN A 270 12.954 31.858 51.536 1.00 15.84 C ATOM 145 OD1 ASN A 270 12.892 30.942 52.347 1.00 16.33 O ATOM 146 ND2 ASN A 270 12.654 31.705 50.255 1.00 16.85 N ATOM 147 HD22 ASN A 270 12.722 32.514 49.605 1.00 0.00 H ATOM 148 HD21 ASN A 270 12.350 30.776 49.899 1.00 0.00 H ATOM 149 H ASN A 270 13.281 31.976 54.250 1.00 0.00 H ATOM 150 N MET A 271 10.283 32.630 53.261 1.00 11.56 N ATOM 151 CA MET A 271 8.894 32.495 52.836 1.00 12.08 C ATOM 152 C MET A 271 8.144 31.606 53.808 1.00 10.16 C ATOM 153 O MET A 271 8.327 30.387 53.814 1.00 12.02 O ATOM 154 CB MET A 271 8.798 31.933 51.431 1.00 14.49 C ATOM 155 CG MET A 271 7.373 31.848 50.931 1.00 17.60 C ATOM 156 SD MET A 271 6.522 33.439 50.964 1.00 20.11 S ATOM 157 CE MET A 271 7.622 34.419 49.938 1.00 22.51 C ATOM 158 H MET A 271 10.686 31.956 53.943 1.00 0.00 H ATOM 159 N ASN A 272 7.282 32.216 54.586 1.00 9.24 N ATOM 160 CA ASN A 272 6.324 31.476 55.383 1.00 8.74 C ATOM 161 C ASN A 272 5.249 30.957 54.440 1.00 8.98 C ATOM 162 O ASN A 272 4.596 31.727 53.733 1.00 9.38 O ATOM 163 CB ASN A 272 5.752 32.433 56.427 1.00 9.52 C ATOM 164 CG ASN A 272 4.694 31.811 57.292 1.00 9.57 C ATOM 165 OD1 ASN A 272 3.920 30.980 56.839 1.00 10.64 O ATOM 166 ND2 ASN A 272 4.623 32.253 58.534 1.00 10.58 N ATOM 167 HD22 ASN A 272 5.305 32.961 58.874 1.00 0.00 H ATOM 168 HD21 ASN A 272 3.885 31.893 59.173 1.00 0.00 H ATOM 169 H ASN A 272 7.286 33.255 54.632 1.00 0.00 H ATOM 170 N LYS A 273 5.088 29.642 54.391 1.00 8.90 N ATOM 171 CA LYS A 273 4.178 29.063 53.416 1.00 9.84 C ATOM 172 C LYS A 273 2.726 29.228 53.813 1.00 11.45 C ATOM 173 O LYS A 273 1.853 29.103 52.956 1.00 14.54 O ATOM 174 CB LYS A 273 4.503 27.593 53.170 1.00 12.57 C ATOM 175 CG LYS A 273 5.869 27.396 52.571 1.00 12.88 C ATOM 176 CD LYS A 273 6.020 26.000 52.001 1.00 19.14 C ATOM 177 CE LYS A 273 7.419 25.778 51.425 1.00 22.13 C ATOM 178 NZ LYS A 273 7.730 26.690 50.292 1.00 26.56 N ATOM 179 HZ1 LYS A 273 7.043 26.536 49.526 1.00 0.00 H ATOM 180 HZ2 LYS A 273 7.673 27.676 50.617 1.00 0.00 H ATOM 181 HZ3 LYS A 273 8.690 26.493 49.943 1.00 0.00 H ATOM 182 H LYS A 273 5.610 29.027 55.047 1.00 0.00 H ATOM 183 N LYS A 274 2.454 29.509 55.081 1.00 11.10 N ATOM 184 CA LYS A 274 1.087 29.770 55.504 1.00 11.82 C ATOM 185 C LYS A 274 0.676 31.186 55.142 1.00 12.43 C ATOM 186 O LYS A 274 -0.422 31.410 54.636 1.00 13.72 O ATOM 187 CB LYS A 274 0.959 29.530 57.005 1.00 14.79 C ATOM 188 CG LYS A 274 -0.409 29.820 57.629 1.00 18.29 C ATOM 189 CD LYS A 274 -0.331 29.578 59.153 1.00 23.84 C ATOM 190 CE LYS A 274 -1.655 29.280 59.835 1.00 27.15 C ATOM 191 NZ LYS A 274 -1.385 28.622 61.152 1.00 30.04 N ATOM 192 HZ1 LYS A 274 -0.863 27.736 60.995 1.00 0.00 H ATOM 193 HZ2 LYS A 274 -0.818 29.259 61.747 1.00 0.00 H ATOM 194 HZ3 LYS A 274 -2.287 28.414 61.626 1.00 0.00 H ATOM 195 H LYS A 274 3.225 29.543 55.778 1.00 0.00 H ATOM 196 N SER A 275 1.556 32.151 55.357 1.00 11.68 N ATOM 197 CA SER A 275 1.205 33.535 55.094 1.00 11.74 C ATOM 198 C SER A 275 1.601 33.995 53.706 1.00 12.66 C ATOM 199 O SER A 275 1.070 35.000 53.233 1.00 13.98 O ATOM 200 CB SER A 275 1.905 34.440 56.101 1.00 13.29 C ATOM 201 OG SER A 275 3.296 34.409 55.873 1.00 11.49 O ATOM 202 HG SER A 275 3.750 34.997 56.528 1.00 0.00 H ATOM 203 H SER A 275 2.504 31.917 55.716 1.00 0.00 H ATOM 204 N GLY A 276 2.524 33.299 53.049 1.00 10.64 N ATOM 205 CA GLY A 276 3.020 33.760 51.767 1.00 12.74 C ATOM 206 C GLY A 276 3.904 34.984 51.846 1.00 12.16 C ATOM 207 O GLY A 276 4.097 35.659 50.838 1.00 13.93 O ATOM 208 H GLY A 276 2.893 32.417 53.458 1.00 0.00 H ATOM 209 N ARG A 277 4.467 35.265 53.013 1.00 11.16 N ATOM 210 CA ARG A 277 5.351 36.391 53.246 1.00 11.21 C ATOM 211 C ARG A 277 6.649 35.890 53.854 1.00 10.79 C ATOM 212 O ARG A 277 6.640 34.926 54.624 1.00 10.29 O ATOM 213 CB ARG A 277 4.722 37.367 54.248 1.00 13.10 C ATOM 214 CG ARG A 277 3.386 37.882 53.789 1.00 14.35 C ATOM 215 CD ARG A 277 2.611 38.498 54.912 1.00 16.04 C ATOM 216 NE ARG A 277 3.205 39.747 55.365 1.00 17.93 N ATOM 217 CZ ARG A 277 3.061 40.916 54.732 1.00 17.11 C ATOM 218 NH1 ARG A 277 2.372 41.005 53.627 1.00 16.75 N ATOM 219 NH2 ARG A 277 3.597 42.015 55.185 1.00 20.96 N ATOM 220 HE ARG A 277 3.776 39.729 56.234 1.00 0.00 H ATOM 221 HH12 ARG A 277 2.272 41.923 53.149 1.00 0.00 H ATOM 222 HH11 ARG A 277 1.924 40.158 53.224 1.00 0.00 H ATOM 223 HH22 ARG A 277 3.466 42.908 54.669 1.00 0.00 H ATOM 224 HH21 ARG A 277 4.155 41.998 56.062 1.00 0.00 H ATOM 225 H ARG A 277 4.261 34.636 53.815 1.00 0.00 H ATOM 226 N PRO A 278 7.768 36.554 53.573 1.00 10.31 N ATOM 227 CA PRO A 278 8.985 36.265 54.329 1.00 9.96 C ATOM 228 C PRO A 278 8.733 36.530 55.797 1.00 10.04 C ATOM 229 O PRO A 278 7.999 37.448 56.166 1.00 10.49 O ATOM 230 CB PRO A 278 10.004 37.255 53.767 1.00 11.20 C ATOM 231 CG PRO A 278 9.446 37.702 52.473 1.00 13.50 C ATOM 232 CD PRO A 278 7.964 37.654 52.612 1.00 12.13 C ATOM 233 N GLU A 279 9.347 35.717 56.639 1.00 9.77 N ATOM 234 CA GLU A 279 9.203 35.890 58.070 1.00 9.89 C ATOM 235 C GLU A 279 10.357 35.177 58.735 1.00 10.39 C ATOM 236 O GLU A 279 10.645 34.027 58.419 1.00 11.34 O ATOM 237 CB GLU A 279 7.891 35.298 58.563 1.00 10.29 C ATOM 238 CG GLU A 279 7.705 35.507 60.042 1.00 11.67 C ATOM 239 CD GLU A 279 6.376 35.030 60.577 1.00 11.88 C ATOM 240 OE1 GLU A 279 5.498 34.599 59.791 1.00 10.88 O ATOM 241 OE2 GLU A 279 6.226 35.062 61.819 1.00 12.64 O ATOM 242 H GLU A 279 9.939 34.946 56.271 1.00 0.00 H ATOM 243 N GLU A 280 10.989 35.839 59.683 1.00 9.81 N ATOM 244 CA GLU A 280 12.110 35.228 60.361 1.00 11.15 C ATOM 245 C GLU A 280 11.639 33.992 61.115 1.00 11.30 C ATOM 246 O GLU A 280 10.465 33.832 61.437 1.00 16.49 O ATOM 247 CB GLU A 280 12.709 36.234 61.322 1.00 14.22 C ATOM 248 CG GLU A 280 11.996 36.266 62.670 1.00 21.67 C ATOM 249 CD GLU A 280 10.560 36.807 62.631 1.00 25.37 C ATOM 250 OE1 GLU A 280 9.729 36.224 61.920 1.00 29.92 O ATOM 251 OE2 GLU A 280 10.256 37.814 63.315 1.00 27.08 O ATOM 252 H GLU A 280 10.682 36.798 59.943 1.00 0.00 H ATOM 253 N LEU A 281 12.541 33.075 61.344 1.00 9.79 N ATOM 254 CA LEU A 281 12.268 31.938 62.200 1.00 8.92 C ATOM 255 C LEU A 281 12.753 32.239 63.602 1.00 8.97 C ATOM 256 O LEU A 281 13.735 32.956 63.788 1.00 11.73 O ATOM 257 CB LEU A 281 13.021 30.717 61.687 1.00 9.41 C ATOM 258 CG LEU A 281 12.529 30.194 60.353 1.00 9.42 C ATOM 259 CD1 LEU A 281 13.537 29.238 59.816 1.00 11.48 C ATOM 260 CD2 LEU A 281 11.177 29.531 60.486 1.00 10.36 C ATOM 261 H LEU A 281 13.478 33.163 60.901 1.00 0.00 H ATOM 262 N VAL A 282 12.059 31.684 64.581 1.00 8.17 N ATOM 263 CA VAL A 282 12.591 31.582 65.924 1.00 9.21 C ATOM 264 C VAL A 282 12.923 30.121 66.161 1.00 9.29 C ATOM 265 O VAL A 282 12.270 29.229 65.622 1.00 10.51 O ATOM 266 CB VAL A 282 11.655 32.142 67.001 1.00 11.61 C ATOM 267 CG1 VAL A 282 11.452 33.620 66.789 1.00 12.68 C ATOM 268 CG2 VAL A 282 10.367 31.405 67.042 1.00 15.16 C ATOM 269 H VAL A 282 11.108 31.312 64.382 1.00 0.00 H ATOM 270 N SER A 283 13.954 29.880 66.940 1.00 8.80 N ATOM 271 CA SER A 283 14.496 28.545 67.078 1.00 9.00 C ATOM 272 C SER A 283 14.748 28.240 68.534 1.00 8.48 C ATOM 273 O SER A 283 15.263 29.079 69.272 1.00 9.45 O ATOM 274 CB SER A 283 15.805 28.406 66.298 1.00 10.33 C ATOM 275 OG SER A 283 15.678 28.831 64.960 1.00 13.58 O ATOM 276 HG SER A 283 14.990 28.284 64.505 1.00 0.00 H ATOM 277 H SER A 283 14.389 30.664 67.467 1.00 0.00 H ATOM 278 N CYS A 284 14.427 27.014 68.914 1.00 7.86 N ATOM 279 CA CYS A 284 14.599 26.566 70.280 1.00 7.71 C ATOM 280 C CYS A 284 16.077 26.505 70.625 1.00 8.70 C ATOM 281 O CYS A 284 16.872 25.896 69.902 1.00 10.17 O ATOM 282 CB CYS A 284 14.004 25.175 70.421 1.00 8.57 C ATOM 283 SG CYS A 284 14.220 24.512 72.072 1.00 9.22 S ATOM 284 H CYS A 284 14.040 26.353 68.211 1.00 0.00 H ATOM 285 N ALA A 285 16.433 27.096 71.763 1.00 8.81 N ATOM 286 CA ALA A 285 17.810 27.144 72.219 1.00 9.67 C ATOM 287 C ALA A 285 18.358 25.777 72.560 1.00 11.54 C ATOM 288 O ALA A 285 19.579 25.599 72.549 1.00 12.88 O ATOM 289 CB ALA A 285 17.918 28.038 73.441 1.00 10.91 C ATOM 290 H ALA A 285 15.697 27.540 72.348 1.00 0.00 H ATOM 291 N ASP A 286 17.493 24.818 72.861 1.00 10.75 N ATOM 292 CA ASP A 286 17.915 23.502 73.307 1.00 12.12 C ATOM 293 C ASP A 286 17.917 22.462 72.201 1.00 12.61 C ATOM 294 O ASP A 286 18.851 21.662 72.132 1.00 14.91 O ATOM 295 CB ASP A 286 17.026 23.015 74.448 1.00 13.98 C ATOM 296 CG ASP A 286 17.241 23.791 75.717 1.00 18.70 C ATOM 297 OD1 ASP A 286 18.235 24.536 75.796 1.00 22.31 O ATOM 298 OD2 ASP A 286 16.426 23.635 76.638 1.00 20.98 O ATOM 299 H ASP A 286 16.476 25.016 72.775 1.00 0.00 H ATOM 300 N CYS A 287 16.898 22.432 71.336 1.00 11.31 N ATOM 301 CA CYS A 287 16.806 21.384 70.332 1.00 12.43 C ATOM 302 C CYS A 287 16.931 21.881 68.909 1.00 12.38 C ATOM 303 O CYS A 287 17.046 21.050 67.999 1.00 13.05 O ATOM 304 CB CYS A 287 15.503 20.583 70.462 1.00 12.84 C ATOM 305 SG CYS A 287 14.044 21.449 69.883 1.00 11.78 S ATOM 306 H CYS A 287 16.163 23.166 71.382 1.00 0.00 H ATOM 307 N GLY A 288 16.902 23.195 68.688 1.00 9.96 N ATOM 308 CA GLY A 288 17.079 23.741 67.363 1.00 10.80 C ATOM 309 C GLY A 288 15.850 23.742 66.486 1.00 10.26 C ATOM 310 O GLY A 288 15.918 24.267 65.376 1.00 11.32 O ATOM 311 H GLY A 288 16.748 23.842 69.488 1.00 0.00 H ATOM 312 N ARG A 289 14.719 23.185 66.912 1.00 9.87 N ATOM 313 CA ARG A 289 13.522 23.260 66.104 1.00 10.37 C ATOM 314 C ARG A 289 13.121 24.710 65.929 1.00 9.04 C ATOM 315 O ARG A 289 13.274 25.528 66.841 1.00 9.63 O ATOM 316 CB ARG A 289 12.381 22.525 66.797 1.00 13.61 C ATOM 317 CG ARG A 289 12.463 21.021 66.847 1.00 17.98 C ATOM 318 CD ARG A 289 11.366 20.541 67.791 1.00 22.37 C ATOM 319 NE ARG A 289 11.142 19.100 67.795 1.00 25.71 N ATOM 320 CZ ARG A 289 10.323 18.466 66.961 1.00 27.82 C ATOM 321 NH1 ARG A 289 9.658 19.140 66.028 1.00 28.03 N ATOM 322 NH2 ARG A 289 10.174 17.151 67.054 1.00 28.77 N ATOM 323 HE ARG A 289 11.657 18.530 68.497 1.00 0.00 H ATOM 324 HH12 ARG A 289 9.019 18.637 65.379 1.00 0.00 H ATOM 325 HH11 ARG A 289 9.777 20.170 65.947 1.00 0.00 H ATOM 326 HH22 ARG A 289 9.534 16.653 66.403 1.00 0.00 H ATOM 327 HH21 ARG A 289 10.697 16.618 67.778 1.00 0.00 H ATOM 328 H ARG A 289 14.696 22.694 67.829 1.00 0.00 H ATOM 329 N SER A 290 12.603 25.030 64.757 1.00 9.17 N ATOM 330 CA SER A 290 12.284 26.390 64.410 1.00 8.78 C ATOM 331 C SER A 290 10.829 26.522 64.009 1.00 8.42 C ATOM 332 O SER A 290 10.174 25.570 63.590 1.00 9.29 O ATOM 333 CB SER A 290 13.166 26.871 63.274 1.00 9.53 C ATOM 334 OG SER A 290 14.509 26.812 63.687 1.00 9.79 O ATOM 335 HG SER A 290 15.093 27.124 62.951 1.00 0.00 H ATOM 336 H SER A 290 12.420 24.277 64.064 1.00 0.00 H ATOM 337 N GLY A 291 10.342 27.736 64.143 1.00 8.51 N ATOM 338 CA GLY A 291 9.010 28.066 63.687 1.00 8.81 C ATOM 339 C GLY A 291 8.943 29.527 63.333 1.00 8.98 C ATOM 340 O GLY A 291 9.628 30.357 63.930 1.00 9.13 O ATOM 341 H GLY A 291 10.926 28.474 64.586 1.00 0.00 H ATOM 342 N HIS A 292 8.092 29.854 62.367 1.00 8.45 N ATOM 343 CA HIS A 292 7.737 31.246 62.194 1.00 8.50 C ATOM 344 C HIS A 292 6.896 31.684 63.381 1.00 8.58 C ATOM 345 O HIS A 292 5.972 30.969 63.773 1.00 9.51 O ATOM 346 CB HIS A 292 6.922 31.455 60.937 1.00 9.17 C ATOM 347 CG HIS A 292 7.647 31.092 59.694 1.00 8.29 C ATOM 348 ND1 HIS A 292 7.329 29.982 58.950 1.00 8.89 N ATOM 349 CD2 HIS A 292 8.712 31.669 59.095 1.00 8.89 C ATOM 350 CE1 HIS A 292 8.162 29.905 57.925 1.00 8.36 C ATOM 351 NE2 HIS A 292 8.994 30.930 57.980 1.00 8.83 N ATOM 352 H HIS A 292 7.688 29.123 61.747 1.00 0.00 H ATOM 353 N PRO A 293 7.148 32.863 63.926 1.00 9.78 N ATOM 354 CA PRO A 293 6.280 33.357 64.995 1.00 9.95 C ATOM 355 C PRO A 293 4.802 33.290 64.679 1.00 9.92 C ATOM 356 O PRO A 293 4.020 32.911 65.556 1.00 10.49 O ATOM 357 CB PRO A 293 6.787 34.780 65.199 1.00 11.13 C ATOM 358 CG PRO A 293 8.264 34.652 64.922 1.00 11.17 C ATOM 359 CD PRO A 293 8.331 33.712 63.739 1.00 10.57 C ATOM 360 N THR A 294 4.381 33.643 63.466 1.00 9.76 N ATOM 361 CA THR A 294 2.954 33.562 63.199 1.00 9.76 C ATOM 362 C THR A 294 2.478 32.121 63.169 1.00 11.01 C ATOM 363 O THR A 294 1.349 31.839 63.574 1.00 12.32 O ATOM 364 CB THR A 294 2.555 34.266 61.915 1.00 11.08 C ATOM 365 OG1 THR A 294 3.209 33.638 60.819 1.00 11.27 O ATOM 366 CG2 THR A 294 2.898 35.739 61.960 1.00 12.27 C ATOM 367 HG1 THR A 294 4.189 33.699 60.942 1.00 0.00 H ATOM 368 H THR A 294 5.048 33.965 62.736 1.00 0.00 H ATOM 369 N CYS A 295 3.325 31.194 62.738 1.00 9.58 N ATOM 370 CA CYS A 295 2.955 29.788 62.787 1.00 10.00 C ATOM 371 C CYS A 295 2.884 29.290 64.222 1.00 9.61 C ATOM 372 O CYS A 295 2.085 28.403 64.528 1.00 11.51 O ATOM 373 CB CYS A 295 3.947 28.969 61.973 1.00 9.83 C ATOM 374 SG CYS A 295 3.868 29.290 60.210 1.00 9.42 S ATOM 375 H CYS A 295 4.255 31.473 62.365 1.00 0.00 H ATOM 376 N LEU A 296 3.709 29.850 65.101 1.00 9.84 N ATOM 377 CA LEU A 296 3.663 29.582 66.527 1.00 10.74 C ATOM 378 C LEU A 296 2.528 30.324 67.212 1.00 10.69 C ATOM 379 O LEU A 296 2.317 30.125 68.410 1.00 11.77 O ATOM 380 CB LEU A 296 4.991 30.004 67.155 1.00 11.20 C ATOM 381 CG LEU A 296 6.160 29.079 66.822 1.00 11.62 C ATOM 382 CD1 LEU A 296 7.479 29.778 66.966 1.00 13.12 C ATOM 383 CD2 LEU A 296 6.114 27.895 67.744 1.00 13.73 C ATOM 384 H LEU A 296 4.426 30.516 64.748 1.00 0.00 H ATOM 385 N GLN A 297 1.813 31.187 66.485 1.00 10.94 N ATOM 386 CA GLN A 297 0.668 31.930 66.999 1.00 11.41 C ATOM 387 C GLN A 297 1.075 32.963 68.033 1.00 11.84 C ATOM 388 O GLN A 297 0.306 33.305 68.929 1.00 13.58 O ATOM 389 CB GLN A 297 -0.444 31.013 67.503 1.00 13.64 C ATOM 390 CG GLN A 297 -0.976 30.127 66.392 1.00 17.10 C ATOM 391 CD GLN A 297 -2.121 29.261 66.819 1.00 23.57 C ATOM 392 OE1 GLN A 297 -2.459 29.198 67.999 1.00 25.54 O ATOM 393 NE2 GLN A 297 -2.728 28.575 65.856 1.00 27.67 N ATOM 394 HE22 GLN A 297 -2.404 28.663 64.872 1.00 0.00 H ATOM 395 HE21 GLN A 297 -3.527 27.951 66.087 1.00 0.00 H ATOM 396 H GLN A 297 2.089 31.338 65.494 1.00 0.00 H ATOM 397 N PHE A 298 2.278 33.489 67.902 1.00 10.06 N ATOM 398 CA PHE A 298 2.754 34.524 68.798 1.00 9.86 C ATOM 399 C PHE A 298 2.277 35.891 68.341 1.00 9.27 C ATOM 400 O PHE A 298 2.204 36.175 67.147 1.00 10.94 O ATOM 401 CB PHE A 298 4.275 34.552 68.771 1.00 9.27 C ATOM 402 CG PHE A 298 4.940 33.386 69.458 1.00 10.40 C ATOM 403 CD1 PHE A 298 4.249 32.510 70.281 1.00 12.07 C ATOM 404 CD2 PHE A 298 6.298 33.204 69.308 1.00 12.37 C ATOM 405 CE1 PHE A 298 4.906 31.474 70.917 1.00 14.98 C ATOM 406 CE2 PHE A 298 6.955 32.161 69.943 1.00 13.07 C ATOM 407 CZ PHE A 298 6.250 31.314 70.753 1.00 14.60 C ATOM 408 H PHE A 298 2.899 33.153 67.138 1.00 0.00 H ATOM 409 N THR A 299 1.989 36.752 69.309 1.00 8.33 N ATOM 410 CA THR A 299 1.807 38.159 69.017 1.00 8.67 C ATOM 411 C THR A 299 3.135 38.761 68.583 1.00 8.46 C ATOM 412 O THR A 299 4.201 38.166 68.717 1.00 8.54 O ATOM 413 CB THR A 299 1.347 38.916 70.254 1.00 9.59 C ATOM 414 OG1 THR A 299 2.396 38.825 71.222 1.00 9.59 O ATOM 415 CG2 THR A 299 0.060 38.365 70.807 1.00 9.47 C ATOM 416 HG1 THR A 299 2.129 39.309 72.043 1.00 0.00 H ATOM 417 H THR A 299 1.893 36.413 70.287 1.00 0.00 H ATOM 418 N LEU A 300 3.062 39.975 68.078 1.00 8.89 N ATOM 419 CA LEU A 300 4.280 40.653 67.674 1.00 8.61 C ATOM 420 C LEU A 300 5.136 40.976 68.868 1.00 9.19 C ATOM 421 O LEU A 300 6.364 40.870 68.807 1.00 8.90 O ATOM 422 CB LEU A 300 3.927 41.916 66.905 1.00 9.50 C ATOM 423 CG LEU A 300 3.193 41.627 65.603 1.00 11.13 C ATOM 424 CD1 LEU A 300 2.506 42.886 65.117 1.00 11.13 C ATOM 425 CD2 LEU A 300 4.151 41.133 64.558 1.00 14.88 C ATOM 426 H LEU A 300 2.140 40.444 67.970 1.00 0.00 H ATOM 427 N ASN A 301 4.543 41.374 69.981 1.00 9.21 N ATOM 428 CA ASN A 301 5.358 41.678 71.136 1.00 9.91 C ATOM 429 C ASN A 301 5.981 40.410 71.718 1.00 9.19 C ATOM 430 O ASN A 301 7.124 40.433 72.163 1.00 9.16 O ATOM 431 CB ASN A 301 4.528 42.455 72.162 1.00 13.69 C ATOM 432 CG ASN A 301 4.594 43.963 71.929 1.00 18.54 C ATOM 433 OD1 ASN A 301 3.566 44.632 71.774 1.00 20.81 O ATOM 434 ND2 ASN A 301 5.805 44.503 71.916 1.00 21.40 N ATOM 435 HD22 ASN A 301 6.644 43.903 72.050 1.00 0.00 H ATOM 436 HD21 ASN A 301 5.916 45.527 71.771 1.00 0.00 H ATOM 437 H ASN A 301 3.508 41.467 70.025 1.00 0.00 H ATOM 438 N MET A 302 5.260 39.301 71.705 1.00 8.39 N ATOM 439 CA MET A 302 5.873 38.044 72.126 1.00 8.25 C ATOM 440 C MET A 302 7.013 37.671 71.195 1.00 8.25 C ATOM 441 O MET A 302 8.046 37.177 71.643 1.00 9.36 O ATOM 442 CB MET A 302 4.854 36.911 72.192 1.00 9.73 C ATOM 443 CG MET A 302 5.521 35.591 72.571 1.00 9.28 C ATOM 444 SD MET A 302 4.429 34.283 73.129 1.00 10.23 S ATOM 445 CE MET A 302 3.816 35.000 74.650 1.00 12.20 C ATOM 446 H MET A 302 4.267 39.324 71.398 1.00 0.00 H ATOM 447 N THR A 303 6.836 37.899 69.905 1.00 8.96 N ATOM 448 CA THR A 303 7.871 37.611 68.934 1.00 8.57 C ATOM 449 C THR A 303 9.150 38.342 69.295 1.00 10.03 C ATOM 450 O THR A 303 10.240 37.764 69.282 1.00 11.30 O ATOM 451 CB THR A 303 7.382 37.999 67.544 1.00 10.69 C ATOM 452 OG1 THR A 303 6.259 37.182 67.205 1.00 11.35 O ATOM 453 CG2 THR A 303 8.464 37.792 66.481 1.00 12.22 C ATOM 454 HG1 THR A 303 5.537 37.325 67.867 1.00 0.00 H ATOM 455 H THR A 303 5.931 38.295 69.579 1.00 0.00 H ATOM 456 N GLU A 304 9.038 39.621 69.624 1.00 9.16 N ATOM 457 CA GLU A 304 10.211 40.370 70.012 1.00 10.06 C ATOM 458 C GLU A 304 10.797 39.825 71.290 1.00 9.46 C ATOM 459 O GLU A 304 12.018 39.697 71.410 1.00 11.00 O ATOM 460 CB GLU A 304 9.852 41.838 70.156 1.00 11.37 C ATOM 461 CG GLU A 304 9.542 42.433 68.800 1.00 16.93 C ATOM 462 CD GLU A 304 10.653 42.121 67.786 1.00 23.28 C ATOM 463 OE1 GLU A 304 11.794 42.574 68.010 1.00 28.05 O ATOM 464 OE2 GLU A 304 10.408 41.373 66.812 1.00 26.79 O ATOM 465 H GLU A 304 8.107 40.085 69.603 1.00 0.00 H ATOM 466 N ALA A 305 9.945 39.486 72.251 1.00 8.94 N ATOM 467 CA ALA A 305 10.449 39.016 73.532 1.00 9.24 C ATOM 468 C ALA A 305 11.230 37.718 73.398 1.00 9.08 C ATOM 469 O ALA A 305 12.269 37.551 74.033 1.00 9.27 O ATOM 470 CB ALA A 305 9.294 38.838 74.507 1.00 10.28 C ATOM 471 H ALA A 305 8.920 39.556 72.088 1.00 0.00 H ATOM 472 N VAL A 306 10.734 36.767 72.613 1.00 8.36 N ATOM 473 CA VAL A 306 11.383 35.466 72.572 1.00 8.53 C ATOM 474 C VAL A 306 12.736 35.543 71.911 1.00 9.14 C ATOM 475 O VAL A 306 13.549 34.640 72.097 1.00 9.93 O ATOM 476 CB VAL A 306 10.513 34.380 71.920 1.00 9.20 C ATOM 477 CG1 VAL A 306 9.207 34.226 72.641 1.00 9.08 C ATOM 478 CG2 VAL A 306 10.302 34.649 70.461 1.00 10.81 C ATOM 479 H VAL A 306 9.890 36.951 72.034 1.00 0.00 H ATOM 480 N LYS A 307 13.002 36.605 71.157 1.00 9.65 N ATOM 481 CA LYS A 307 14.297 36.793 70.527 1.00 11.12 C ATOM 482 C LYS A 307 15.319 37.374 71.471 1.00 11.63 C ATOM 483 O LYS A 307 16.479 37.498 71.075 1.00 13.11 O ATOM 484 CB LYS A 307 14.162 37.687 69.295 1.00 12.16 C ATOM 485 CG LYS A 307 13.314 37.041 68.216 1.00 12.57 C ATOM 486 CD LYS A 307 13.075 37.969 67.054 1.00 16.10 C ATOM 487 CE LYS A 307 12.150 37.339 66.026 1.00 17.27 C ATOM 488 NZ LYS A 307 11.784 38.305 64.970 1.00 20.36 N ATOM 489 HZ1 LYS A 307 11.298 39.118 65.399 1.00 0.00 H ATOM 490 HZ2 LYS A 307 12.645 38.630 64.486 1.00 0.00 H ATOM 491 HZ3 LYS A 307 11.152 37.844 64.284 1.00 0.00 H ATOM 492 H LYS A 307 12.262 37.321 71.014 1.00 0.00 H ATOM 493 N THR A 308 14.922 37.723 72.692 1.00 10.40 N ATOM 494 CA THR A 308 15.813 38.365 73.649 1.00 11.14 C ATOM 495 C THR A 308 16.393 37.407 74.672 1.00 11.17 C ATOM 496 O THR A 308 17.194 37.832 75.498 1.00 13.00 O ATOM 497 CB THR A 308 15.113 39.505 74.408 1.00 11.87 C ATOM 498 OG1 THR A 308 14.120 38.988 75.301 1.00 12.58 O ATOM 499 CG2 THR A 308 14.509 40.510 73.455 1.00 12.27 C ATOM 500 HG1 THR A 308 13.442 38.485 74.783 1.00 0.00 H ATOM 501 H THR A 308 13.940 37.530 72.973 1.00 0.00 H ATOM 502 N TYR A 309 15.982 36.149 74.673 1.00 10.12 N ATOM 503 CA TYR A 309 16.502 35.211 75.642 1.00 9.88 C ATOM 504 C TYR A 309 16.529 33.851 74.983 1.00 8.75 C ATOM 505 O TYR A 309 16.093 33.686 73.842 1.00 9.43 O ATOM 506 CB TYR A 309 15.690 35.251 76.936 1.00 10.42 C ATOM 507 CG TYR A 309 14.347 34.565 76.845 1.00 9.28 C ATOM 508 CD1 TYR A 309 13.231 35.231 76.364 1.00 9.26 C ATOM 509 CD2 TYR A 309 14.197 33.256 77.263 1.00 9.27 C ATOM 510 CE1 TYR A 309 12.011 34.614 76.304 1.00 8.59 C ATOM 511 CE2 TYR A 309 12.983 32.630 77.194 1.00 8.65 C ATOM 512 CZ TYR A 309 11.900 33.304 76.698 1.00 8.06 C ATOM 513 OH TYR A 309 10.687 32.665 76.630 1.00 8.51 O ATOM 514 HH TYR A 309 10.011 33.282 76.252 1.00 0.00 H ATOM 515 H TYR A 309 15.281 35.834 73.973 1.00 0.00 H ATOM 516 N LYS A 310 17.043 32.861 75.702 1.00 9.56 N ATOM 517 CA LYS A 310 17.160 31.513 75.153 1.00 9.57 C ATOM 518 C LYS A 310 15.807 30.815 75.225 1.00 8.69 C ATOM 519 O LYS A 310 15.563 29.907 76.022 1.00 9.64 O ATOM 520 CB LYS A 310 18.251 30.738 75.862 1.00 10.98 C ATOM 521 CG LYS A 310 19.624 31.361 75.707 1.00 14.75 C ATOM 522 CD LYS A 310 20.671 30.505 76.398 1.00 18.70 C ATOM 523 CE LYS A 310 22.027 31.185 76.545 1.00 22.07 C ATOM 524 NZ LYS A 310 22.921 30.411 77.467 1.00 25.50 N ATOM 525 HZ1 LYS A 310 22.477 30.346 78.405 1.00 0.00 H ATOM 526 HZ2 LYS A 310 23.067 29.455 77.085 1.00 0.00 H ATOM 527 HZ3 LYS A 310 23.837 30.897 77.548 1.00 0.00 H ATOM 528 H LYS A 310 17.368 33.048 76.672 1.00 0.00 H ATOM 529 N TRP A 311 14.922 31.249 74.335 1.00 8.02 N ATOM 530 CA TRP A 311 13.593 30.675 74.263 1.00 7.43 C ATOM 531 C TRP A 311 13.671 29.190 73.966 1.00 7.18 C ATOM 532 O TRP A 311 14.530 28.734 73.201 1.00 7.67 O ATOM 533 CB TRP A 311 12.844 31.386 73.155 1.00 7.99 C ATOM 534 CG TRP A 311 11.494 30.825 72.866 1.00 7.68 C ATOM 535 CD1 TRP A 311 10.341 31.069 73.539 1.00 7.91 C ATOM 536 CD2 TRP A 311 11.168 29.928 71.814 1.00 8.16 C ATOM 537 NE1 TRP A 311 9.300 30.373 72.963 1.00 8.03 N ATOM 538 CE2 TRP A 311 9.789 29.662 71.904 1.00 8.07 C ATOM 539 CE3 TRP A 311 11.904 29.318 70.803 1.00 9.81 C ATOM 540 CZ2 TRP A 311 9.136 28.823 71.020 1.00 8.55 C ATOM 541 CZ3 TRP A 311 11.250 28.487 69.925 1.00 10.62 C ATOM 542 CH2 TRP A 311 9.882 28.239 70.044 1.00 10.07 C ATOM 543 HE1 TRP A 311 8.310 30.387 73.281 1.00 0.00 H ATOM 544 H TRP A 311 15.186 32.012 73.680 1.00 0.00 H ATOM 545 N GLN A 312 12.755 28.445 74.568 1.00 7.73 N ATOM 546 CA GLN A 312 12.635 27.017 74.358 1.00 7.85 C ATOM 547 C GLN A 312 11.292 26.723 73.718 1.00 7.88 C ATOM 548 O GLN A 312 10.280 27.345 74.053 1.00 8.37 O ATOM 549 CB GLN A 312 12.667 26.281 75.695 1.00 8.32 C ATOM 550 CG GLN A 312 13.972 26.392 76.439 1.00 9.13 C ATOM 551 CD GLN A 312 13.816 25.893 77.843 1.00 9.87 C ATOM 552 OE1 GLN A 312 12.971 26.364 78.577 1.00 10.36 O ATOM 553 NE2 GLN A 312 14.606 24.912 78.222 1.00 12.44 N ATOM 554 HE22 GLN A 312 15.318 24.534 77.565 1.00 0.00 H ATOM 555 HE21 GLN A 312 14.518 24.514 79.179 1.00 0.00 H ATOM 556 H GLN A 312 12.091 28.907 75.222 1.00 0.00 H ATOM 557 N CYS A 313 11.276 25.719 72.860 1.00 8.15 N ATOM 558 CA CYS A 313 10.035 25.265 72.278 1.00 8.78 C ATOM 559 C CYS A 313 9.158 24.610 73.337 1.00 8.96 C ATOM 560 O CYS A 313 9.585 24.333 74.468 1.00 9.74 O ATOM 561 CB CYS A 313 10.323 24.291 71.145 1.00 9.33 C ATOM 562 SG CYS A 313 10.850 22.631 71.662 1.00 10.58 S ATOM 563 H CYS A 313 12.167 25.250 72.601 1.00 0.00 H ATOM 564 N ILE A 314 7.906 24.342 72.966 1.00 9.97 N ATOM 565 CA ILE A 314 6.957 23.759 73.889 1.00 10.53 C ATOM 566 C ILE A 314 7.516 22.474 74.500 1.00 11.17 C ATOM 567 O ILE A 314 7.351 22.222 75.694 1.00 11.36 O ATOM 568 CB ILE A 314 5.622 23.527 73.161 1.00 11.11 C ATOM 569 CG1 ILE A 314 4.630 22.856 74.085 1.00 14.13 C ATOM 570 CG2 ILE A 314 5.816 22.676 71.895 1.00 11.40 C ATOM 571 CD1 ILE A 314 3.238 22.994 73.592 1.00 14.93 C ATOM 572 H ILE A 314 7.606 24.556 71.994 1.00 0.00 H ATOM 573 N GLU A 315 8.146 21.631 73.698 1.00 11.41 N ATOM 574 CA GLU A 315 8.586 20.356 74.237 1.00 12.93 C ATOM 575 C GLU A 315 9.750 20.531 75.192 1.00 12.34 C ATOM 576 O GLU A 315 9.816 19.847 76.213 1.00 14.72 O ATOM 577 CB GLU A 315 8.960 19.408 73.109 1.00 15.76 C ATOM 578 CG GLU A 315 7.795 19.039 72.218 1.00 17.61 C ATOM 579 CD GLU A 315 6.654 18.407 72.979 1.00 19.99 C ATOM 580 OE1 GLU A 315 6.921 17.602 73.894 1.00 21.68 O ATOM 581 OE2 GLU A 315 5.491 18.735 72.674 1.00 21.72 O ATOM 582 H GLU A 315 8.322 21.876 72.703 1.00 0.00 H ATOM 583 N CYS A 316 10.690 21.418 74.872 1.00 12.01 N ATOM 584 CA CYS A 316 11.855 21.600 75.721 1.00 11.48 C ATOM 585 C CYS A 316 11.596 22.477 76.934 1.00 11.41 C ATOM 586 O CYS A 316 12.414 22.472 77.853 1.00 12.28 O ATOM 587 CB CYS A 316 12.987 22.238 74.919 1.00 11.64 C ATOM 588 SG CYS A 316 13.643 21.184 73.626 1.00 12.14 S ATOM 589 H CYS A 316 10.589 21.986 74.006 1.00 0.00 H ATOM 590 N LYS A 317 10.502 23.229 76.951 1.00 10.02 N ATOM 591 CA LYS A 317 10.308 24.250 77.963 1.00 9.85 C ATOM 592 C LYS A 317 10.533 23.677 79.343 1.00 10.40 C ATOM 593 O LYS A 317 9.957 22.656 79.709 1.00 12.42 O ATOM 594 CB LYS A 317 8.886 24.810 77.892 1.00 10.61 C ATOM 595 CG LYS A 317 8.716 26.124 78.619 1.00 12.13 C ATOM 596 CD LYS A 317 9.065 27.290 77.746 1.00 10.90 C ATOM 597 CE LYS A 317 8.009 27.542 76.685 1.00 10.84 C ATOM 598 NZ LYS A 317 8.510 28.568 75.769 1.00 9.12 N ATOM 599 HZ1 LYS A 317 8.698 29.443 76.299 1.00 0.00 H ATOM 600 HZ2 LYS A 317 9.389 28.235 75.325 1.00 0.00 H ATOM 601 HZ3 LYS A 317 7.797 28.753 75.034 1.00 0.00 H ATOM 602 H LYS A 317 9.771 23.083 76.226 1.00 0.00 H ATOM 603 N SER A 318 11.364 24.352 80.112 1.00 10.79 N ATOM 604 CA SER A 318 11.585 23.993 81.493 1.00 12.18 C ATOM 605 C SER A 318 11.296 25.205 82.354 1.00 11.39 C ATOM 606 O SER A 318 11.306 26.339 81.894 1.00 14.02 O ATOM 607 CB SER A 318 13.009 23.496 81.692 1.00 15.69 C ATOM 608 OG SER A 318 13.930 24.453 81.228 1.00 17.41 O ATOM 609 HG SER A 318 13.809 25.297 81.731 1.00 0.00 H ATOM 610 H SER A 318 11.875 25.166 79.713 1.00 0.00 H ATOM 611 N CYS A 319 10.992 24.943 83.607 1.00 10.87 N ATOM 612 CA CYS A 319 10.601 26.005 84.506 1.00 11.50 C ATOM 613 C CYS A 319 11.792 26.893 84.810 1.00 13.02 C ATOM 614 O CYS A 319 12.876 26.406 85.143 1.00 13.63 O ATOM 615 CB CYS A 319 10.095 25.358 85.785 1.00 11.72 C ATOM 616 SG CYS A 319 9.674 26.494 87.106 1.00 11.70 S ATOM 617 H CYS A 319 11.033 23.963 83.954 1.00 0.00 H ATOM 618 N ILE A 320 11.579 28.204 84.707 1.00 12.54 N ATOM 619 CA ILE A 320 12.618 29.186 85.008 1.00 13.98 C ATOM 620 C ILE A 320 13.124 29.036 86.425 1.00 15.94 C ATOM 621 O ILE A 320 14.299 29.308 86.709 1.00 18.24 O ATOM 622 CB ILE A 320 12.022 30.596 84.804 1.00 15.77 C ATOM 623 CG1 ILE A 320 11.814 30.882 83.323 1.00 15.92 C ATOM 624 CG2 ILE A 320 12.893 31.666 85.444 1.00 17.24 C ATOM 625 CD1 ILE A 320 13.098 30.913 82.511 1.00 17.69 C ATOM 626 H ILE A 320 10.643 28.539 84.402 1.00 0.00 H ATOM 627 N LEU A 321 12.253 28.630 87.336 1.00 17.27 N ATOM 628 CA LEU A 321 12.558 28.685 88.751 1.00 18.93 C ATOM 629 C LEU A 321 13.221 27.419 89.262 1.00 20.63 C ATOM 630 O LEU A 321 14.146 27.504 90.067 1.00 23.49 O ATOM 631 CB LEU A 321 11.282 28.968 89.533 1.00 19.32 C ATOM 632 CG LEU A 321 10.636 30.297 89.151 1.00 19.63 C ATOM 633 CD1 LEU A 321 9.297 30.402 89.836 1.00 20.36 C ATOM 634 CD2 LEU A 321 11.541 31.472 89.525 1.00 22.48 C ATOM 635 H LEU A 321 11.329 28.264 87.029 1.00 0.00 H ATOM 636 N CYS A 322 12.776 26.243 88.830 1.00 19.13 N ATOM 637 CA CYS A 322 13.349 24.996 89.316 1.00 19.31 C ATOM 638 C CYS A 322 14.112 24.226 88.252 1.00 20.16 C ATOM 639 O CYS A 322 14.820 23.274 88.598 1.00 21.31 O ATOM 640 CB CYS A 322 12.261 24.086 89.893 1.00 19.60 C ATOM 641 SG CYS A 322 11.184 23.380 88.650 1.00 16.96 S ATOM 642 H CYS A 322 12.005 26.213 88.133 1.00 0.00 H ATOM 643 N GLY A 323 13.995 24.605 86.983 1.00 18.95 N ATOM 644 CA GLY A 323 14.743 23.972 85.923 1.00 17.79 C ATOM 645 C GLY A 323 14.175 22.673 85.395 1.00 18.29 C ATOM 646 O GLY A 323 14.709 22.142 84.415 1.00 18.68 O ATOM 647 H GLY A 323 13.345 25.381 86.747 1.00 0.00 H ATOM 648 N THR A 324 13.113 22.134 85.982 1.00 17.28 N ATOM 649 CA THR A 324 12.620 20.866 85.463 1.00 17.01 C ATOM 650 C THR A 324 11.594 21.078 84.358 1.00 16.23 C ATOM 651 O THR A 324 11.029 22.158 84.178 1.00 14.92 O ATOM 652 CB THR A 324 11.966 19.990 86.536 1.00 19.24 C ATOM 653 OG1 THR A 324 10.586 20.363 86.681 1.00 18.28 O ATOM 654 CG2 THR A 324 12.683 20.082 87.875 1.00 21.02 C ATOM 655 HG1 THR A 324 10.163 19.797 87.374 1.00 0.00 H ATOM 656 H THR A 324 12.648 22.602 86.786 1.00 0.00 H ATOM 657 N SER A 325 11.363 19.997 83.619 1.00 16.70 N ATOM 658 CA SER A 325 10.273 19.901 82.658 1.00 16.68 C ATOM 659 C SER A 325 9.246 18.866 83.109 1.00 16.26 C ATOM 660 O SER A 325 8.616 18.198 82.288 1.00 17.33 O ATOM 661 CB SER A 325 10.803 19.603 81.257 1.00 18.69 C ATOM 662 OG SER A 325 11.626 18.458 81.270 1.00 19.97 O ATOM 663 HG SER A 325 11.959 18.282 80.354 1.00 0.00 H ATOM 664 H SER A 325 11.993 19.178 83.733 1.00 0.00 H ATOM 665 N GLU A 326 9.080 18.722 84.419 1.00 16.40 N ATOM 666 CA GLU A 326 8.043 17.862 84.952 1.00 16.45 C ATOM 667 C GLU A 326 6.704 18.579 84.905 1.00 15.04 C ATOM 668 O GLU A 326 6.629 19.799 84.782 1.00 13.73 O ATOM 669 CB GLU A 326 8.349 17.524 86.404 1.00 18.23 C ATOM 670 CG GLU A 326 9.603 16.721 86.566 1.00 20.97 C ATOM 671 CD GLU A 326 9.494 15.356 85.929 1.00 25.95 C ATOM 672 OE1 GLU A 326 8.422 14.724 86.034 1.00 25.78 O ATOM 673 OE2 GLU A 326 10.478 14.930 85.292 1.00 30.55 O ATOM 674 H GLU A 326 9.705 19.235 85.073 1.00 0.00 H ATOM 675 N ASN A 327 5.633 17.798 85.004 1.00 14.56 N ATOM 676 CA ASN A 327 4.290 18.321 85.264 1.00 14.41 C ATOM 677 C ASN A 327 3.873 19.357 84.219 1.00 13.31 C ATOM 678 O ASN A 327 3.623 20.520 84.515 1.00 12.59 O ATOM 679 CB ASN A 327 4.207 18.890 86.680 1.00 15.37 C ATOM 680 CG ASN A 327 4.270 17.817 87.706 1.00 16.74 C ATOM 681 OD1 ASN A 327 3.574 16.809 87.598 1.00 18.98 O ATOM 682 ND2 ASN A 327 5.119 18.001 88.700 1.00 18.53 N ATOM 683 HD22 ASN A 327 5.685 18.872 88.746 1.00 0.00 H ATOM 684 HD21 ASN A 327 5.222 17.275 89.437 1.00 0.00 H ATOM 685 H ASN A 327 5.754 16.771 84.892 1.00 0.00 H ATOM 686 N ASP A 328 3.742 18.865 82.985 1.00 13.21 N ATOM 687 CA ASP A 328 3.355 19.715 81.866 1.00 13.82 C ATOM 688 C ASP A 328 2.047 20.429 82.136 1.00 13.30 C ATOM 689 O ASP A 328 1.830 21.541 81.648 1.00 13.13 O ATOM 690 CB ASP A 328 3.133 18.881 80.610 1.00 14.70 C ATOM 691 CG ASP A 328 4.381 18.173 80.118 1.00 16.15 C ATOM 692 OD1 ASP A 328 5.489 18.441 80.625 1.00 15.68 O ATOM 693 OD2 ASP A 328 4.227 17.356 79.188 1.00 17.02 O ATOM 694 H ASP A 328 3.920 17.854 82.819 1.00 0.00 H ATOM 695 N ASP A 329 1.147 19.783 82.874 1.00 14.13 N ATOM 696 CA ASP A 329 -0.152 20.353 83.177 1.00 16.58 C ATOM 697 C ASP A 329 -0.056 21.534 84.120 1.00 15.63 C ATOM 698 O ASP A 329 -1.025 22.284 84.256 1.00 16.81 O ATOM 699 CB ASP A 329 -1.051 19.280 83.803 1.00 18.33 C ATOM 700 CG ASP A 329 -0.453 18.657 85.063 1.00 21.73 C ATOM 701 OD1 ASP A 329 0.741 18.313 85.089 1.00 24.01 O ATOM 702 OD2 ASP A 329 -1.205 18.467 86.041 1.00 27.52 O ATOM 703 H ASP A 329 1.383 18.840 83.245 1.00 0.00 H ATOM 704 N GLN A 330 1.096 21.720 84.752 1.00 13.51 N ATOM 705 CA GLN A 330 1.267 22.798 85.695 1.00 13.36 C ATOM 706 C GLN A 330 2.299 23.820 85.270 1.00 12.75 C ATOM 707 O GLN A 330 2.576 24.759 86.021 1.00 13.23 O ATOM 708 CB GLN A 330 1.656 22.230 87.047 1.00 18.05 C ATOM 709 CG GLN A 330 0.557 21.407 87.604 1.00 22.58 C ATOM 710 CD GLN A 330 0.628 21.406 89.073 1.00 28.12 C ATOM 711 OE1 GLN A 330 0.349 22.408 89.712 1.00 30.65 O ATOM 712 NE2 GLN A 330 1.067 20.307 89.633 1.00 30.50 N ATOM 713 HE22 GLN A 330 1.292 19.478 89.046 1.00 0.00 H ATOM 714 HE21 GLN A 330 1.191 20.263 90.665 1.00 0.00 H ATOM 715 H GLN A 330 1.891 21.076 84.564 1.00 0.00 H ATOM 716 N LEU A 331 2.885 23.672 84.094 1.00 10.74 N ATOM 717 CA LEU A 331 3.916 24.594 83.640 1.00 9.74 C ATOM 718 C LEU A 331 3.223 25.703 82.861 1.00 9.91 C ATOM 719 O LEU A 331 2.896 25.543 81.687 1.00 10.42 O ATOM 720 CB LEU A 331 4.950 23.862 82.798 1.00 9.98 C ATOM 721 CG LEU A 331 6.160 24.724 82.448 1.00 10.34 C ATOM 722 CD1 LEU A 331 7.018 25.001 83.662 1.00 10.72 C ATOM 723 CD2 LEU A 331 6.980 24.043 81.387 1.00 11.43 C ATOM 724 H LEU A 331 2.604 22.881 83.481 1.00 0.00 H ATOM 725 N LEU A 332 2.989 26.825 83.532 1.00 10.47 N ATOM 726 CA LEU A 332 2.405 27.993 82.893 1.00 9.65 C ATOM 727 C LEU A 332 3.398 28.603 81.922 1.00 10.65 C ATOM 728 O LEU A 332 4.600 28.624 82.185 1.00 10.60 O ATOM 729 CB LEU A 332 2.097 29.048 83.939 1.00 12.09 C ATOM 730 CG LEU A 332 0.888 28.780 84.812 1.00 18.33 C ATOM 731 CD1 LEU A 332 0.848 29.798 85.934 1.00 20.31 C ATOM 732 CD2 LEU A 332 -0.407 28.845 84.011 1.00 20.26 C ATOM 733 H LEU A 332 3.230 26.869 84.543 1.00 0.00 H ATOM 734 N PHE A 333 2.888 29.114 80.805 1.00 9.91 N ATOM 735 CA PHE A 333 3.685 29.890 79.866 1.00 9.36 C ATOM 736 C PHE A 333 3.272 31.348 79.974 1.00 9.97 C ATOM 737 O PHE A 333 2.102 31.679 79.827 1.00 11.37 O ATOM 738 CB PHE A 333 3.461 29.431 78.420 1.00 10.54 C ATOM 739 CG PHE A 333 4.005 28.058 78.076 1.00 9.90 C ATOM 740 CD1 PHE A 333 4.599 27.226 79.006 1.00 10.37 C ATOM 741 CD2 PHE A 333 3.927 27.629 76.773 1.00 11.57 C ATOM 742 CE1 PHE A 333 5.097 25.989 78.626 1.00 10.70 C ATOM 743 CE2 PHE A 333 4.419 26.408 76.396 1.00 12.74 C ATOM 744 CZ PHE A 333 5.002 25.583 77.324 1.00 10.98 C ATOM 745 H PHE A 333 1.882 28.953 80.595 1.00 0.00 H ATOM 746 N CYS A 334 4.237 32.214 80.185 1.00 8.02 N ATOM 747 CA CYS A 334 3.959 33.632 80.281 1.00 8.46 C ATOM 748 C CYS A 334 3.418 34.154 78.960 1.00 8.27 C ATOM 749 O CYS A 334 3.984 33.900 77.896 1.00 8.79 O ATOM 750 CB CYS A 334 5.250 34.348 80.614 1.00 8.46 C ATOM 751 SG CYS A 334 5.044 36.127 80.630 1.00 8.53 S ATOM 752 H CYS A 334 5.216 31.876 80.285 1.00 0.00 H ATOM 753 N ASP A 335 2.348 34.930 79.037 1.00 8.36 N ATOM 754 CA ASP A 335 1.732 35.466 77.837 1.00 9.64 C ATOM 755 C ASP A 335 2.416 36.702 77.304 1.00 9.56 C ATOM 756 O ASP A 335 2.001 37.213 76.258 1.00 11.01 O ATOM 757 CB ASP A 335 0.254 35.712 78.068 1.00 11.30 C ATOM 758 CG ASP A 335 -0.488 34.433 78.134 1.00 14.18 C ATOM 759 OD1 ASP A 335 -0.133 33.521 77.343 1.00 15.43 O ATOM 760 OD2 ASP A 335 -1.376 34.310 78.978 1.00 15.33 O ATOM 761 H ASP A 335 1.944 35.158 79.968 1.00 0.00 H ATOM 762 N ASP A 336 3.461 37.171 77.962 1.00 9.03 N ATOM 763 CA ASP A 336 4.267 38.241 77.415 1.00 9.21 C ATOM 764 C ASP A 336 5.622 37.784 76.918 1.00 10.33 C ATOM 765 O ASP A 336 6.150 38.410 76.006 1.00 13.31 O ATOM 766 CB ASP A 336 4.415 39.382 78.425 1.00 8.38 C ATOM 767 CG ASP A 336 3.205 40.270 78.438 1.00 9.41 C ATOM 768 OD1 ASP A 336 3.044 41.065 77.488 1.00 10.14 O ATOM 769 OD2 ASP A 336 2.388 40.154 79.363 1.00 9.53 O ATOM 770 H ASP A 336 3.708 36.765 78.887 1.00 0.00 H ATOM 771 N CYS A 337 6.202 36.708 77.468 1.00 8.99 N ATOM 772 CA CYS A 337 7.534 36.300 77.043 1.00 9.31 C ATOM 773 C CYS A 337 7.679 34.820 76.755 1.00 8.41 C ATOM 774 O CYS A 337 8.730 34.419 76.273 1.00 8.83 O ATOM 775 CB CYS A 337 8.591 36.688 78.081 1.00 9.33 C ATOM 776 SG CYS A 337 8.562 35.669 79.562 1.00 9.62 S ATOM 777 H CYS A 337 5.700 36.164 78.199 1.00 0.00 H ATOM 778 N ASP A 338 6.682 34.005 77.048 1.00 8.14 N ATOM 779 CA ASP A 338 6.670 32.578 76.788 1.00 7.75 C ATOM 780 C ASP A 338 7.560 31.767 77.714 1.00 8.71 C ATOM 781 O ASP A 338 7.704 30.571 77.488 1.00 8.95 O ATOM 782 CB ASP A 338 6.955 32.209 75.329 1.00 8.20 C ATOM 783 CG ASP A 338 6.164 31.011 74.885 1.00 9.30 C ATOM 784 OD1 ASP A 338 4.982 30.948 75.230 1.00 11.11 O ATOM 785 OD2 ASP A 338 6.733 30.143 74.192 1.00 9.57 O ATOM 786 H ASP A 338 5.841 34.418 77.500 1.00 0.00 H ATOM 787 N ARG A 339 8.132 32.360 78.754 1.00 8.49 N ATOM 788 CA ARG A 339 8.870 31.556 79.715 1.00 8.99 C ATOM 789 C ARG A 339 7.909 30.690 80.509 1.00 9.11 C ATOM 790 O ARG A 339 6.752 31.033 80.721 1.00 9.33 O ATOM 791 CB ARG A 339 9.647 32.456 80.664 1.00 9.55 C ATOM 792 CG ARG A 339 10.890 33.076 80.061 1.00 9.98 C ATOM 793 CD ARG A 339 11.507 34.014 81.064 1.00 10.75 C ATOM 794 NE ARG A 339 12.730 34.660 80.628 1.00 11.49 N ATOM 795 CZ ARG A 339 12.790 35.847 80.052 1.00 11.90 C ATOM 796 NH1 ARG A 339 11.681 36.513 79.789 1.00 13.06 N ATOM 797 NH2 ARG A 339 13.969 36.370 79.757 1.00 13.69 N ATOM 798 HE ARG A 339 13.625 34.152 80.780 1.00 0.00 H ATOM 799 HH12 ARG A 339 11.731 37.448 79.335 1.00 0.00 H ATOM 800 HH11 ARG A 339 10.757 36.103 80.035 1.00 0.00 H ATOM 801 HH22 ARG A 339 14.025 37.304 79.303 1.00 0.00 H ATOM 802 HH21 ARG A 339 14.840 35.847 79.979 1.00 0.00 H ATOM 803 H ARG A 339 8.053 33.389 78.881 1.00 0.00 H ATOM 804 N GLY A 340 8.423 29.566 80.981 1.00 9.30 N ATOM 805 CA GLY A 340 7.630 28.597 81.715 1.00 10.14 C ATOM 806 C GLY A 340 7.879 28.662 83.213 1.00 9.65 C ATOM 807 O GLY A 340 9.018 28.791 83.663 1.00 10.86 O ATOM 808 H GLY A 340 9.432 29.370 80.820 1.00 0.00 H ATOM 809 N TYR A 341 6.795 28.539 83.977 1.00 9.07 N ATOM 810 CA TYR A 341 6.849 28.562 85.433 1.00 9.91 C ATOM 811 C TYR A 341 5.845 27.566 85.969 1.00 10.15 C ATOM 812 O TYR A 341 4.661 27.643 85.636 1.00 10.26 O ATOM 813 CB TYR A 341 6.449 29.923 85.978 1.00 10.85 C ATOM 814 CG TYR A 341 7.352 31.030 85.528 1.00 11.62 C ATOM 815 CD1 TYR A 341 7.170 31.643 84.294 1.00 10.60 C ATOM 816 CD2 TYR A 341 8.381 31.477 86.338 1.00 12.46 C ATOM 817 CE1 TYR A 341 8.000 32.663 83.885 1.00 11.33 C ATOM 818 CE2 TYR A 341 9.200 32.487 85.940 1.00 12.21 C ATOM 819 CZ TYR A 341 9.011 33.083 84.715 1.00 11.81 C ATOM 820 OH TYR A 341 9.844 34.111 84.346 1.00 13.56 O ATOM 821 HH TYR A 341 9.587 34.436 83.447 1.00 0.00 H ATOM 822 H TYR A 341 5.871 28.422 83.515 1.00 0.00 H ATOM 823 N HIS A 342 6.289 26.644 86.812 1.00 10.92 N ATOM 824 CA HIS A 342 5.320 25.765 87.452 1.00 10.99 C ATOM 825 C HIS A 342 4.435 26.551 88.383 1.00 13.30 C ATOM 826 O HIS A 342 4.905 27.410 89.138 1.00 13.90 O ATOM 827 CB HIS A 342 6.008 24.705 88.280 1.00 12.47 C ATOM 828 CG HIS A 342 6.711 23.686 87.466 1.00 11.56 C ATOM 829 ND1 HIS A 342 8.076 23.523 87.512 1.00 11.87 N ATOM 830 CD2 HIS A 342 6.243 22.760 86.599 1.00 12.32 C ATOM 831 CE1 HIS A 342 8.418 22.531 86.712 1.00 12.03 C ATOM 832 NE2 HIS A 342 7.327 22.067 86.131 1.00 12.47 N ATOM 833 H HIS A 342 7.305 26.551 87.012 1.00 0.00 H ATOM 834 N MET A 343 3.137 26.249 88.368 1.00 14.60 N ATOM 835 CA MET A 343 2.242 26.911 89.295 1.00 17.21 C ATOM 836 C MET A 343 2.655 26.694 90.730 1.00 18.05 C ATOM 837 O MET A 343 2.399 27.550 91.580 1.00 21.81 O ATOM 838 CB MET A 343 0.833 26.396 89.070 1.00 20.90 C ATOM 839 CG MET A 343 0.248 26.997 87.801 1.00 22.82 C ATOM 840 SD MET A 343 -1.451 26.624 87.448 1.00 25.76 S ATOM 841 CE MET A 343 -1.136 24.906 87.379 1.00 19.83 C ATOM 842 H MET A 343 2.770 25.544 87.697 1.00 0.00 H ATOM 843 N TYR A 344 3.298 25.568 91.025 1.00 18.26 N ATOM 844 CA TYR A 344 3.736 25.264 92.374 1.00 19.35 C ATOM 845 C TYR A 344 5.108 25.831 92.708 1.00 20.60 C ATOM 846 O TYR A 344 5.524 25.761 93.870 1.00 22.15 O ATOM 847 CB TYR A 344 3.735 23.755 92.604 1.00 19.31 C ATOM 848 CG TYR A 344 4.496 22.932 91.585 1.00 17.98 C ATOM 849 CD1 TYR A 344 5.880 22.841 91.628 1.00 17.01 C ATOM 850 CD2 TYR A 344 3.822 22.220 90.600 1.00 18.86 C ATOM 851 CE1 TYR A 344 6.572 22.066 90.716 1.00 16.72 C ATOM 852 CE2 TYR A 344 4.503 21.438 89.694 1.00 17.93 C ATOM 853 CZ TYR A 344 5.870 21.364 89.755 1.00 16.20 C ATOM 854 OH TYR A 344 6.530 20.573 88.859 1.00 16.88 O ATOM 855 HH TYR A 344 7.504 20.624 89.030 1.00 0.00 H ATOM 856 H TYR A 344 3.493 24.885 90.266 1.00 0.00 H ATOM 857 N CYS A 345 5.819 26.374 91.718 1.00 18.42 N ATOM 858 CA CYS A 345 7.071 27.074 91.970 1.00 19.13 C ATOM 859 C CYS A 345 6.859 28.552 92.222 1.00 20.68 C ATOM 860 O CYS A 345 7.735 29.196 92.807 1.00 22.76 O ATOM 861 CB CYS A 345 8.033 26.892 90.793 1.00 16.89 C ATOM 862 SG CYS A 345 8.708 25.225 90.741 1.00 16.84 S ATOM 863 H CYS A 345 5.470 26.295 90.741 1.00 0.00 H ATOM 864 N LEU A 346 5.723 29.092 91.799 1.00 20.75 N ATOM 865 CA LEU A 346 5.383 30.463 92.109 1.00 22.66 C ATOM 866 C LEU A 346 5.168 30.601 93.608 1.00 26.37 C ATOM 867 O LEU A 346 4.895 29.633 94.320 1.00 27.52 O ATOM 868 CB LEU A 346 4.100 30.866 91.387 1.00 22.19 C ATOM 869 CG LEU A 346 4.106 30.684 89.870 1.00 21.99 C ATOM 870 CD1 LEU A 346 2.761 31.052 89.275 1.00 22.37 C ATOM 871 CD2 LEU A 346 5.208 31.509 89.237 1.00 22.10 C ATOM 872 H LEU A 346 5.065 28.518 91.234 1.00 0.00 H ATOM 873 N ASN A 347 5.301 31.825 94.085 1.00 28.43 N ATOM 874 CA ASN A 347 5.042 32.115 95.478 1.00 30.52 C ATOM 875 C ASN A 347 4.271 33.425 95.542 1.00 30.52 C ATOM 876 O ASN A 347 4.829 34.478 95.254 1.00 31.13 O ATOM 877 CB ASN A 347 6.361 32.230 96.234 1.00 32.14 C ATOM 878 CG ASN A 347 6.171 32.265 97.731 1.00 34.38 C ATOM 879 OD1 ASN A 347 5.135 31.842 98.248 1.00 36.43 O ATOM 880 ND2 ASN A 347 7.172 32.769 98.440 1.00 34.72 N ATOM 881 HD22 ASN A 347 8.027 33.114 97.960 1.00 0.00 H ATOM 882 HD21 ASN A 347 7.102 32.819 99.476 1.00 0.00 H ATOM 883 H ASN A 347 5.597 32.593 93.449 1.00 0.00 H ATOM 884 N PRO A 348 2.974 33.370 95.892 1.00 31.43 N ATOM 885 CA PRO A 348 2.160 32.218 96.293 1.00 32.19 C ATOM 886 C PRO A 348 1.904 31.245 95.143 1.00 32.51 C ATOM 887 O PRO A 348 1.690 31.689 94.018 1.00 33.06 O ATOM 888 CB PRO A 348 0.839 32.869 96.719 1.00 32.37 C ATOM 889 CG PRO A 348 0.751 34.077 95.867 1.00 31.57 C ATOM 890 CD PRO A 348 2.160 34.595 95.815 1.00 31.03 C ATOM 891 N PRO A 349 1.916 29.941 95.417 1.00 32.79 N ATOM 892 CA PRO A 349 1.541 28.983 94.379 1.00 32.12 C ATOM 893 C PRO A 349 0.089 29.134 93.964 1.00 33.48 C ATOM 894 O PRO A 349 -0.758 29.653 94.696 1.00 35.09 O ATOM 895 CB PRO A 349 1.791 27.622 95.034 1.00 31.97 C ATOM 896 CG PRO A 349 1.774 27.896 96.490 1.00 32.77 C ATOM 897 CD PRO A 349 2.404 29.247 96.618 1.00 32.31 C ATOM 898 N VAL A 350 -0.177 28.653 92.760 1.00 32.74 N ATOM 899 CA VAL A 350 -1.441 28.834 92.067 1.00 31.49 C ATOM 900 C VAL A 350 -2.091 27.474 91.880 1.00 33.02 C ATOM 901 O VAL A 350 -1.415 26.491 91.562 1.00 32.86 O ATOM 902 CB VAL A 350 -1.116 29.485 90.712 1.00 31.83 C ATOM 903 CG1 VAL A 350 -2.327 29.540 89.813 1.00 32.13 C ATOM 904 CG2 VAL A 350 -0.528 30.865 90.953 1.00 31.48 C ATOM 905 H VAL A 350 0.568 28.110 92.278 1.00 0.00 H ATOM 906 N ALA A 351 -3.410 27.429 92.056 1.00 32.39 N ATOM 907 CA ALA A 351 -4.138 26.170 91.994 1.00 32.43 C ATOM 908 C ALA A 351 -4.479 25.806 90.569 1.00 32.20 C ATOM 909 O ALA A 351 -4.527 24.623 90.216 1.00 34.52 O ATOM 910 CB ALA A 351 -5.463 26.310 92.732 1.00 33.23 C ATOM 911 H ALA A 351 -3.930 28.310 92.241 1.00 0.00 H ATOM 912 N GLU A 352 -4.775 26.801 89.750 1.00 31.90 N ATOM 913 CA GLU A 352 -5.292 26.500 88.434 1.00 31.00 C ATOM 914 C GLU A 352 -4.808 27.570 87.478 1.00 30.39 C ATOM 915 O GLU A 352 -4.617 28.718 87.896 1.00 29.19 O ATOM 916 CB GLU A 352 -6.824 26.482 88.441 1.00 31.14 C ATOM 917 H GLU A 352 -4.638 27.788 90.049 1.00 0.00 H ATOM 918 N PRO A 353 -4.607 27.240 86.215 1.00 29.85 N ATOM 919 CA PRO A 353 -4.263 28.275 85.281 1.00 29.62 C ATOM 920 C PRO A 353 -5.352 29.329 85.267 1.00 29.60 C ATOM 921 O PRO A 353 -6.550 29.007 85.263 1.00 30.52 O ATOM 922 CB PRO A 353 -4.174 27.543 83.939 1.00 29.83 C ATOM 923 CG PRO A 353 -3.910 26.134 84.297 1.00 30.04 C ATOM 924 CD PRO A 353 -4.692 25.924 85.552 1.00 29.64 C ATOM 925 N PRO A 354 -4.979 30.599 85.317 1.00 28.81 N ATOM 926 CA PRO A 354 -5.972 31.667 85.260 1.00 29.16 C ATOM 927 C PRO A 354 -6.720 31.645 83.943 1.00 29.45 C ATOM 928 O PRO A 354 -6.293 31.049 82.951 1.00 30.77 O ATOM 929 CB PRO A 354 -5.104 32.922 85.355 1.00 30.39 C ATOM 930 CG PRO A 354 -3.933 32.466 86.137 1.00 29.08 C ATOM 931 CD PRO A 354 -3.635 31.128 85.584 1.00 28.53 C ATOM 932 N GLU A 355 -7.835 32.356 83.930 1.00 29.35 N ATOM 933 CA GLU A 355 -8.544 32.589 82.691 1.00 29.05 C ATOM 934 C GLU A 355 -7.901 33.803 82.044 1.00 29.41 C ATOM 935 O GLU A 355 -7.466 34.734 82.728 1.00 30.69 O ATOM 936 CB GLU A 355 -10.034 32.838 82.949 1.00 29.05 C ATOM 937 H GLU A 355 -8.205 32.751 84.818 1.00 0.00 H ATOM 938 N GLY A 356 -7.810 33.773 80.732 1.00 28.17 N ATOM 939 CA GLY A 356 -7.175 34.885 80.073 1.00 27.22 C ATOM 940 C GLY A 356 -5.706 34.944 80.460 1.00 23.51 C ATOM 941 O GLY A 356 -5.135 34.015 81.057 1.00 23.79 O ATOM 942 H GLY A 356 -8.185 32.971 80.187 1.00 0.00 H ATOM 943 N SER A 357 -5.080 36.055 80.076 1.00 24.95 N ATOM 944 CA SER A 357 -3.621 36.126 80.147 1.00 20.90 C ATOM 945 C SER A 357 -3.079 35.975 81.572 1.00 17.90 C ATOM 946 O SER A 357 -3.686 36.373 82.571 1.00 21.41 O ATOM 947 CB SER A 357 -3.023 37.394 79.488 1.00 23.02 C ATOM 948 OG SER A 357 -3.723 37.819 78.319 1.00 26.66 O ATOM 949 HG SER A 357 -3.702 37.097 77.642 1.00 0.00 H ATOM 950 H SER A 357 -5.626 36.868 79.727 1.00 0.00 H ATOM 951 N TRP A 358 -1.889 35.402 81.630 1.00 14.55 N ATOM 952 CA TRP A 358 -1.073 35.326 82.830 1.00 12.73 C ATOM 953 C TRP A 358 0.322 35.687 82.381 1.00 10.63 C ATOM 954 O TRP A 358 0.795 35.164 81.362 1.00 11.29 O ATOM 955 CB TRP A 358 -1.044 33.916 83.432 1.00 13.31 C ATOM 956 CG TRP A 358 -0.109 33.854 84.588 1.00 12.62 C ATOM 957 CD1 TRP A 358 -0.380 34.202 85.870 1.00 14.92 C ATOM 958 CD2 TRP A 358 1.270 33.472 84.557 1.00 11.84 C ATOM 959 NE1 TRP A 358 0.738 34.055 86.651 1.00 15.93 N ATOM 960 CE2 TRP A 358 1.769 33.616 85.863 1.00 13.53 C ATOM 961 CE3 TRP A 358 2.129 33.017 83.548 1.00 11.27 C ATOM 962 CZ2 TRP A 358 3.084 33.328 86.191 1.00 13.16 C ATOM 963 CZ3 TRP A 358 3.433 32.727 83.876 1.00 11.18 C ATOM 964 CH2 TRP A 358 3.899 32.879 85.187 1.00 11.49 C ATOM 965 HE1 TRP A 358 0.794 34.245 87.672 1.00 0.00 H ATOM 966 H TRP A 358 -1.512 34.977 80.759 1.00 0.00 H ATOM 967 N SER A 359 0.974 36.572 83.114 1.00 10.44 N ATOM 968 CA SER A 359 2.330 36.947 82.797 1.00 11.16 C ATOM 969 C SER A 359 3.194 36.834 84.029 1.00 10.90 C ATOM 970 O SER A 359 2.723 36.962 85.162 1.00 11.23 O ATOM 971 CB SER A 359 2.377 38.333 82.239 1.00 12.69 C ATOM 972 OG SER A 359 1.682 38.314 81.011 1.00 14.41 O ATOM 973 HG SER A 359 1.694 39.220 80.612 1.00 0.00 H ATOM 974 H SER A 359 0.502 37.005 83.933 1.00 0.00 H ATOM 975 N CYS A 360 4.469 36.621 83.776 1.00 10.57 N ATOM 976 CA CYS A 360 5.413 36.264 84.807 1.00 10.64 C ATOM 977 C CYS A 360 5.978 37.494 85.497 1.00 11.23 C ATOM 978 O CYS A 360 5.821 38.634 85.060 1.00 11.79 O ATOM 979 CB CYS A 360 6.552 35.447 84.203 1.00 10.73 C ATOM 980 SG CYS A 360 7.800 36.360 83.273 1.00 10.57 S ATOM 981 H CYS A 360 4.808 36.714 82.797 1.00 0.00 H ATOM 982 N HIS A 361 6.665 37.234 86.597 1.00 13.33 N ATOM 983 CA HIS A 361 7.183 38.318 87.409 1.00 15.12 C ATOM 984 C HIS A 361 8.258 39.105 86.671 1.00 14.77 C ATOM 985 O HIS A 361 8.409 40.309 86.908 1.00 15.36 O ATOM 986 CB HIS A 361 7.689 37.771 88.748 1.00 19.67 C ATOM 987 CG HIS A 361 8.998 37.054 88.662 1.00 22.75 C ATOM 988 ND1 HIS A 361 9.132 35.797 88.112 1.00 23.46 N ATOM 989 CD2 HIS A 361 10.232 37.411 89.092 1.00 23.62 C ATOM 990 CE1 HIS A 361 10.397 35.419 88.190 1.00 23.98 C ATOM 991 NE2 HIS A 361 11.085 36.382 88.776 1.00 24.74 N ATOM 992 H HIS A 361 6.834 36.248 86.881 1.00 0.00 H ATOM 993 N LEU A 362 9.023 38.459 85.791 1.00 14.24 N ATOM 994 CA LEU A 362 10.031 39.201 85.044 1.00 14.64 C ATOM 995 C LEU A 362 9.379 40.239 84.156 1.00 13.49 C ATOM 996 O LEU A 362 9.866 41.369 84.038 1.00 15.16 O ATOM 997 CB LEU A 362 10.873 38.262 84.187 1.00 14.21 C ATOM 998 CG LEU A 362 11.712 37.229 84.930 1.00 16.94 C ATOM 999 CD1 LEU A 362 12.433 36.357 83.928 1.00 18.05 C ATOM 1000 CD2 LEU A 362 12.700 37.890 85.874 1.00 19.28 C ATOM 1001 H LEU A 362 8.902 37.437 85.639 1.00 0.00 H ATOM 1002 N CYS A 363 8.281 39.868 83.511 1.00 11.82 N ATOM 1003 CA CYS A 363 7.595 40.804 82.641 1.00 11.70 C ATOM 1004 C CYS A 363 6.878 41.872 83.450 1.00 11.41 C ATOM 1005 O CYS A 363 6.865 43.041 83.058 1.00 12.43 O ATOM 1006 CB CYS A 363 6.639 40.042 81.733 1.00 10.78 C ATOM 1007 SG CYS A 363 7.502 39.030 80.522 1.00 10.18 S ATOM 1008 H CYS A 363 7.911 38.903 83.629 1.00 0.00 H ATOM 1009 N TRP A 364 6.285 41.496 84.587 1.00 11.47 N ATOM 1010 CA TRP A 364 5.642 42.488 85.442 1.00 13.18 C ATOM 1011 C TRP A 364 6.641 43.544 85.892 1.00 15.64 C ATOM 1012 O TRP A 364 6.314 44.731 85.937 1.00 18.56 O ATOM 1013 CB TRP A 364 4.979 41.811 86.641 1.00 14.74 C ATOM 1014 CG TRP A 364 3.568 41.334 86.343 1.00 14.49 C ATOM 1015 CD1 TRP A 364 3.183 40.083 85.984 1.00 14.12 C ATOM 1016 CD2 TRP A 364 2.370 42.127 86.383 1.00 13.19 C ATOM 1017 NE1 TRP A 364 1.822 40.048 85.790 1.00 14.07 N ATOM 1018 CE2 TRP A 364 1.301 41.288 86.042 1.00 14.20 C ATOM 1019 CE3 TRP A 364 2.104 43.467 86.670 1.00 14.29 C ATOM 1020 CZ2 TRP A 364 -0.014 41.748 85.977 1.00 15.38 C ATOM 1021 CZ3 TRP A 364 0.807 43.917 86.616 1.00 15.20 C ATOM 1022 CH2 TRP A 364 -0.239 43.063 86.275 1.00 16.22 C ATOM 1023 HE1 TRP A 364 1.276 39.212 85.498 1.00 0.00 H ATOM 1024 H TRP A 364 6.282 40.493 84.863 1.00 0.00 H ATOM 1025 N GLU A 365 7.871 43.135 86.190 1.00 16.10 N ATOM 1026 CA GLU A 365 8.895 44.078 86.634 1.00 18.07 C ATOM 1027 C GLU A 365 9.293 45.031 85.527 1.00 19.67 C ATOM 1028 O GLU A 365 9.619 46.196 85.792 1.00 19.94 O ATOM 1029 CB GLU A 365 10.163 43.323 87.019 1.00 20.48 C ATOM 1030 CG GLU A 365 10.093 42.569 88.284 1.00 22.84 C ATOM 1031 CD GLU A 365 11.426 41.980 88.653 1.00 26.26 C ATOM 1032 OE1 GLU A 365 12.332 41.970 87.792 1.00 28.83 O ATOM 1033 OE2 GLU A 365 11.549 41.516 89.795 1.00 28.37 O ATOM 1034 H GLU A 365 8.108 42.126 86.105 1.00 0.00 H ATOM 1035 N LEU A 366 9.358 44.522 84.297 1.00 23.65 N ATOM 1036 CA LEU A 366 9.976 45.206 83.171 1.00 26.09 C ATOM 1037 C LEU A 366 9.018 46.153 82.481 1.00 26.28 C ATOM 1038 O LEU A 366 9.413 47.252 82.080 1.00 28.05 O ATOM 1039 CB LEU A 366 10.469 44.184 82.142 1.00 25.89 C ATOM 1040 CG LEU A 366 10.903 44.744 80.779 1.00 28.88 C ATOM 1041 CD1 LEU A 366 12.273 45.387 80.890 1.00 28.62 C ATOM 1042 CD2 LEU A 366 10.886 43.681 79.693 1.00 29.84 C ATOM 1043 H LEU A 366 8.943 43.582 84.133 1.00 0.00 H ATOM 1044 N LEU A 367 7.770 45.739 82.309 1.00 24.33 N ATOM 1045 CA LEU A 367 6.833 46.462 81.468 1.00 25.49 C ATOM 1046 C LEU A 367 5.914 47.377 82.258 1.00 26.74 C ATOM 1047 O LEU A 367 5.448 48.381 81.715 1.00 29.51 O ATOM 1048 CB LEU A 367 6.014 45.465 80.634 1.00 24.68 C ATOM 1049 CG LEU A 367 6.833 44.638 79.629 1.00 25.86 C ATOM 1050 CD1 LEU A 367 6.034 43.489 79.039 1.00 26.41 C ATOM 1051 CD2 LEU A 367 7.335 45.520 78.514 1.00 26.54 C ATOM 1052 H LEU A 367 7.454 44.873 82.790 1.00 0.00 H ATOM 1053 N LYS A 368 5.681 47.077 83.531 1.00 27.74 N ATOM 1054 CA LYS A 368 4.798 47.878 84.376 1.00 30.95 C ATOM 1055 C LYS A 368 5.567 48.924 85.180 1.00 30.39 C ATOM 1056 O LYS A 368 6.790 48.882 85.270 1.00 31.90 O ATOM 1057 CB LYS A 368 4.029 46.962 85.327 1.00 31.91 C ATOM 1058 H LYS A 368 6.144 46.241 83.941 1.00 0.00 H TER 1059 LYS A 368 HETATM 1060 ZN ZN A 1 5.840 28.571 59.305 1.00 8.88 ZN HETATM 1061 ZN ZN A 2 13.162 22.443 71.760 1.00 10.48 ZN HETATM 1062 ZN ZN A 3 9.349 24.762 88.627 1.00 14.23 ZN HETATM 1063 ZN ZN A 4 7.230 36.816 81.063 1.00 9.24 ZN HETATM 1064 O HOH 5 28.732 22.849 73.069 1.00 37.34 O HETATM 1065 O HOH 6 5.870 15.818 78.409 1.00 32.89 O HETATM 1066 O HOH 7 19.117 21.420 63.785 1.00 27.34 O HETATM 1067 O HOH 8 6.248 15.048 85.055 1.00 24.70 O HETATM 1068 O HOH 9 17.068 31.535 57.195 1.00 25.62 O HETATM 1069 O HOH 10 7.987 41.456 66.232 1.00 30.87 O HETATM 1070 O HOH 11 -0.606 36.710 53.994 1.00 26.57 O HETATM 1071 O HOH 12 -5.179 38.822 76.516 1.00 26.53 O HETATM 1072 O HOH 13 18.310 37.867 77.768 1.00 33.22 O HETATM 1073 O HOH 14 -2.254 29.657 54.214 1.00 22.86 O HETATM 1074 O HOH 15 1.048 27.134 66.536 1.00 29.31 O HETATM 1075 O HOH 16 15.639 22.749 91.031 1.00 28.22 O HETATM 1076 O HOH 17 16.850 21.787 87.855 1.00 30.89 O HETATM 1077 O HOH 18 5.569 27.963 73.294 1.00 28.20 O HETATM 1078 O HOH 19 0.666 36.889 74.013 1.00 21.46 O HETATM 1079 O HOH 20 11.582 19.350 62.661 1.00 28.27 O HETATM 1080 O HOH 21 15.842 30.449 71.454 1.00 8.99 O HETATM 1081 O HOH 22 9.152 20.278 89.025 1.00 18.08 O HETATM 1082 O HOH 23 15.843 34.690 54.712 1.00 31.81 O HETATM 1083 O HOH 24 -3.189 36.480 76.098 1.00 28.22 O HETATM 1084 O HOH 25 3.386 24.080 54.039 1.00 26.31 O HETATM 1085 O HOH 26 20.864 27.183 60.738 1.00 28.93 O HETATM 1086 O HOH 27 8.879 28.616 51.718 1.00 21.82 O HETATM 1087 O HOH 28 0.542 27.317 62.439 1.00 27.78 O HETATM 1088 O HOH 29 14.389 20.982 78.844 1.00 33.39 O HETATM 1089 O HOH 30 -0.510 31.876 80.324 1.00 13.26 O HETATM 1090 O HOH 31 17.001 30.686 63.572 1.00 24.49 O HETATM 1091 O HOH 32 6.926 34.413 87.528 1.00 18.94 O HETATM 1092 O HOH 33 12.357 23.132 62.555 1.00 10.36 O HETATM 1093 O HOH 34 7.190 37.389 62.708 1.00 15.59 O HETATM 1094 O HOH 35 12.585 29.012 78.593 1.00 11.35 O HETATM 1095 O HOH 36 11.017 28.739 80.722 1.00 16.04 O HETATM 1096 O HOH 37 6.118 38.160 57.949 1.00 18.11 O HETATM 1097 O HOH 38 7.820 18.393 79.286 1.00 24.84 O HETATM 1098 O HOH 39 15.547 29.637 56.479 1.00 15.16 O HETATM 1099 O HOH 40 6.608 47.132 87.304 1.00 19.86 O HETATM 1100 O HOH 41 -0.967 38.767 81.143 1.00 20.14 O HETATM 1101 O HOH 42 4.549 20.155 59.639 1.00 32.44 O HETATM 1102 O HOH 43 0.608 36.431 50.997 1.00 25.53 O HETATM 1103 O HOH 44 16.206 32.859 62.715 1.00 25.32 O HETATM 1104 O HOH 45 12.227 13.135 84.288 1.00 31.21 O HETATM 1105 O HOH 46 15.622 18.551 60.823 1.00 18.65 O HETATM 1106 O HOH 47 2.093 39.476 73.835 1.00 16.15 O HETATM 1107 O HOH 48 6.546 33.927 92.906 1.00 39.65 O HETATM 1108 O HOH 49 1.151 43.560 72.452 1.00 15.53 O HETATM 1109 O HOH 50 17.886 24.514 53.102 1.00 24.94 O HETATM 1110 O HOH 51 3.116 36.857 87.869 1.00 21.42 O HETATM 1111 O HOH 52 3.190 28.157 70.106 1.00 29.29 O HETATM 1112 O HOH 53 4.171 36.074 57.894 1.00 13.28 O HETATM 1113 O HOH 54 17.313 40.021 70.386 1.00 28.50 O HETATM 1114 O HOH 55 15.086 29.965 78.729 1.00 16.49 O HETATM 1115 O HOH 56 12.674 36.867 56.648 1.00 22.06 O HETATM 1116 O HOH 57 1.290 32.221 59.450 1.00 27.10 O HETATM 1117 O HOH 58 0.555 35.244 65.138 1.00 23.24 O HETATM 1118 O HOH 59 12.607 41.692 84.161 1.00 25.31 O HETATM 1119 O HOH 60 1.585 42.693 51.583 1.00 23.11 O HETATM 1120 O HOH 61 11.549 28.533 52.019 1.00 17.86 O HETATM 1121 O HOH 62 13.715 41.393 70.004 1.00 18.59 O HETATM 1122 O HOH 63 6.632 20.625 81.913 1.00 15.39 O HETATM 1123 O HOH 64 10.225 24.634 51.969 1.00 23.43 O HETATM 1124 O HOH 65 11.588 35.730 49.746 1.00 32.66 O HETATM 1125 O HOH 66 18.662 27.153 68.156 1.00 29.15 O HETATM 1126 O HOH 67 0.986 30.561 70.836 1.00 25.29 O HETATM 1127 O HOH 68 15.124 20.068 82.573 1.00 34.73 O HETATM 1128 O HOH 69 15.237 33.008 70.555 1.00 9.86 O HETATM 1129 O HOH 70 -6.982 28.612 81.725 1.00 34.70 O HETATM 1130 O HOH 71 6.726 24.465 48.884 1.00 43.47 O HETATM 1131 O HOH 72 14.453 38.626 78.130 1.00 22.55 O HETATM 1132 O HOH 73 21.413 27.543 71.636 1.00 23.25 O HETATM 1133 O HOH 74 8.512 42.481 73.597 1.00 21.32 O HETATM 1134 O HOH 75 17.809 20.676 65.294 1.00 25.85 O HETATM 1135 O HOH 76 12.218 18.757 70.409 1.00 29.36 O HETATM 1136 O HOH 77 10.978 29.822 76.539 1.00 8.77 O HETATM 1137 O HOH 78 3.991 16.020 82.751 1.00 20.37 O HETATM 1138 O HOH 79 -0.862 33.570 64.181 1.00 30.76 O HETATM 1139 O HOH 80 -3.335 33.446 77.061 1.00 29.45 O HETATM 1140 O HOH 81 15.556 18.755 67.103 1.00 37.07 O HETATM 1141 O HOH 82 12.969 34.036 48.587 1.00 39.07 O HETATM 1142 O HOH 83 12.754 17.570 84.354 1.00 27.93 O HETATM 1143 O HOH 84 -3.219 22.408 86.138 1.00 41.84 O HETATM 1144 O HOH 85 17.023 29.356 61.230 1.00 22.34 O HETATM 1145 O HOH 86 15.435 33.813 81.216 1.00 32.33 O HETATM 1146 O HOH 87 15.292 18.829 63.806 1.00 30.95 O HETATM 1147 O HOH 88 0.855 17.823 88.154 1.00 41.37 O HETATM 1148 O HOH 89 -0.345 33.885 74.473 1.00 35.52 O HETATM 1149 O HOH 90 21.193 21.193 73.785 1.00 24.89 O HETATM 1150 O HOH 91 1.733 35.418 71.879 1.00 11.52 O HETATM 1151 O HOH 92 10.349 38.640 60.143 1.00 26.97 O HETATM 1152 O HOH 93 15.302 32.293 67.864 1.00 14.17 O HETATM 1153 O HOH 94 12.448 41.175 76.268 1.00 36.70 O HETATM 1154 O HOH 95 6.851 15.886 81.955 1.00 23.32 O HETATM 1155 O HOH 96 15.295 33.793 60.646 1.00 24.69 O HETATM 1156 O HOH 97 -0.446 38.109 85.173 1.00 20.08 O HETATM 1157 O HOH 98 17.038 27.058 89.798 1.00 38.17 O HETATM 1158 O HOH 99 -3.614 36.067 85.497 1.00 40.91 O HETATM 1159 O HOH 100 1.111 22.502 60.437 1.00 40.24 O HETATM 1160 O HOH 101 20.828 26.548 56.053 1.00 31.27 O HETATM 1161 O HOH 102 18.005 33.112 78.501 1.00 23.31 O HETATM 1162 O HOH 103 4.386 20.257 70.359 1.00 38.41 O HETATM 1163 O HOH 104 16.268 29.236 84.452 1.00 43.83 O HETATM 1164 O HOH 105 17.897 18.230 68.642 1.00 33.73 O HETATM 1165 O HOH 106 1.294 34.617 89.610 1.00 36.91 O HETATM 1166 O HOH 107 2.968 20.799 57.278 1.00 36.12 O HETATM 1167 O HOH 108 14.527 27.461 81.081 1.00 41.27 O HETATM 1168 O HOH 109 2.338 39.975 58.327 1.00 29.80 O HETATM 1169 O HOH 110 -2.187 15.852 84.661 1.00 33.86 O HETATM 1170 O HOH 111 8.010 19.314 60.315 1.00 31.53 O HETATM 1171 O HOH 112 7.983 40.538 77.401 1.00 26.26 O HETATM 1172 O HOH 113 10.718 39.475 80.190 1.00 24.96 O HETATM 1173 O HOH 114 16.353 26.926 86.880 1.00 43.88 O HETATM 1174 O HOH 115 0.420 32.869 72.109 1.00 37.07 O HETATM 1175 O HOH 116 8.238 42.686 76.222 1.00 25.60 O HETATM 1176 O HOH 117 17.707 20.148 60.162 1.00 29.41 O HETATM 1177 O HOH 118 7.560 38.774 60.333 1.00 20.80 O HETATM 1178 O HOH 119 8.094 34.126 90.894 1.00 42.35 O HETATM 1179 O HOH 120 17.836 26.900 52.676 1.00 29.18 O HETATM 1180 O HOH 121 -4.142 17.381 84.661 1.00 31.88 O HETATM 1181 O HOH 122 16.460 31.839 59.597 1.00 31.42 O HETATM 1182 O HOH 123 1.615 27.061 59.839 1.00 20.14 O HETATM 1183 O HOH 124 11.360 42.460 73.808 1.00 29.34 O HETATM 1184 O HOH 125 4.551 34.927 91.632 1.00 28.41 O HETATM 1185 O HOH 126 14.224 37.005 54.361 1.00 28.93 O HETATM 1186 O HOH 127 -1.108 39.867 82.942 1.00 37.38 O HETATM 1187 O HOH 128 4.714 35.174 89.064 1.00 25.63 O HETATM 1188 O HOH 129 19.089 29.552 68.567 1.00 29.96 O HETATM 1189 O HOH 130 -1.537 37.167 87.404 1.00 40.03 O HETATM 1190 O HOH 131 12.421 18.310 73.099 1.00 26.59 O HETATM 1191 O HOH 132 17.999 31.462 67.636 1.00 29.10 O HETATM 1192 O HOH 133 20.154 23.927 52.550 1.00 35.96 O HETATM 1193 O HOH 134 10.906 40.008 77.489 1.00 35.68 O HETATM 1194 O HOH 135 0.702 25.963 55.825 1.00 36.94 O HETATM 1195 O HOH 136 12.994 40.264 81.653 1.00 39.89 O HETATM 1196 O HOH 137 15.008 36.432 58.782 1.00 27.33 O HETATM 1197 O HOH 138 19.356 29.131 59.959 1.00 41.90 O HETATM 1198 O HOH 139 1.771 37.224 58.469 1.00 22.51 O HETATM 1199 O HOH 140 21.741 25.399 58.806 1.00 39.92 O HETATM 1200 O HOH 141 18.437 31.045 71.180 1.00 22.57 O HETATM 1201 O HOH 142 5.718 27.643 70.970 1.00 24.48 O HETATM 1202 O HOH 143 16.121 41.064 68.865 1.00 22.65 O HETATM 1203 O HOH 144 -0.109 35.762 59.320 1.00 43.55 O HETATM 1204 O HOH 145 10.995 26.288 92.801 1.00 30.62 O HETATM 1205 O HOH 146 1.762 14.998 81.898 1.00 39.05 O HETATM 1206 O HOH 147 14.196 43.823 71.440 1.00 29.55 O HETATM 1207 O HOH 148 -0.606 37.244 56.693 1.00 44.85 O HETATM 1208 O HOH 149 -0.962 14.376 83.824 1.00 25.95 O HETATM 1209 O HOH 150 -3.369 28.810 56.861 1.00 34.83 O HETATM 1210 O HOH 151 16.485 31.809 80.149 1.00 28.13 O HETATM 1211 O HOH 152 -1.928 37.393 73.785 1.00 16.26 O HETATM 1212 O HOH 153 19.024 22.101 86.189 1.00 37.50 O HETATM 1213 O HOH 154 5.924 17.598 58.954 1.00 34.77 O HETATM 1214 O HOH 155 13.428 22.123 92.910 1.00 26.10 O HETATM 1215 O HOH 156 20.638 30.247 72.238 1.00 26.80 O HETATM 1216 O HOH 157 -0.730 42.846 50.394 1.00 30.96 O HETATM 1217 O HOH 158 19.265 30.389 57.497 1.00 41.30 O HETATM 1218 O HOH 159 -1.378 42.110 82.513 1.00 26.68 O HETATM 1219 O HOH 160 15.507 44.211 74.251 1.00 39.42 O HETATM 1220 O HOH 161 19.051 19.539 58.113 1.00 26.18 O HETATM 1221 O HOH 162 -1.413 44.619 82.944 1.00 21.08 O HETATM 1222 O HOH 163 14.204 20.783 94.976 1.00 42.03 O HETATM 1223 O HOH 164 0.084 16.976 80.382 1.00 26.54 O HETATM 1224 O HOH 165 7.899 17.288 76.416 1.00 37.05 O HETATM 1225 O HOH 166 -0.692 18.635 75.794 1.00 24.03 O HETATM 1226 O HOH 167 6.981 25.715 70.623 1.00 19.29 O HETATM 1227 O HOH 168 -2.732 16.056 82.561 1.00 27.23 O HETATM 1228 O HOH 169 -5.408 20.515 78.698 1.00 29.25 O HETATM 1229 O HOH 170 -2.887 22.444 82.077 1.00 19.02 O HETATM 1230 O HOH 171 -3.617 20.038 81.274 1.00 24.23 O HETATM 1231 O HOH 172 1.642 28.518 72.624 1.00 24.91 O HETATM 1232 O HOH 173 -5.759 24.056 74.196 1.00 37.06 O HETATM 1233 O HOH 174 -3.364 27.034 75.488 1.00 25.68 O HETATM 1234 O HOH 175 -6.162 27.505 77.925 1.00 44.47 O HETATM 1235 O HOH 176 -5.207 31.714 77.293 1.00 39.74 O HETATM 1236 O HOH 177 -0.661 24.967 65.487 1.00 35.16 O HETATM 1237 O HOH 178 -4.961 14.760 81.634 1.00 20.70 O HETATM 1238 O HOH 179 -6.429 26.406 76.168 1.00 42.40 O HETATM 1239 O HOH 180 -5.225 23.928 82.256 1.00 30.35 O HETATM 1240 O HOH 181 -7.015 22.548 76.076 1.00 38.95 O HETATM 1241 N ALA A 182 -5.196 31.337 80.338 1.00 0.24 N HETATM 1242 CA ALA A 182 -3.725 31.100 80.482 1.00 0.06 C HETATM 1243 C ALA A 182 -3.325 29.812 79.798 1.00 0.23 C HETATM 1244 O ALA A 182 -4.144 28.922 79.607 1.00 -0.39 O HETATM 1245 N ALA A 182 -2.055 29.720 79.444 1.00 -0.26 N HETATM 1246 CA ALA A 182 -1.511 28.559 78.762 1.00 0.13 C HETATM 1247 C ALA A 182 -0.626 27.780 79.724 1.00 0.20 C HETATM 1248 O ALA A 182 0.133 28.367 80.497 1.00 -0.39 O HETATM 1249 N ALA A 182 -0.713 26.463 79.665 1.00 -0.26 N HETATM 1250 CA ALA A 182 0.309 25.590 80.206 1.00 0.16 C HETATM 1251 C ALA A 182 0.922 24.828 79.051 1.00 0.21 C HETATM 1252 O ALA A 182 0.421 24.855 77.924 1.00 -0.39 O HETATM 1253 N ALA A 182 1.999 24.105 79.340 1.00 -0.26 N HETATM 1254 CA ALA A 182 2.567 23.279 78.296 1.00 0.13 C HETATM 1255 C ALA A 182 1.505 22.339 77.738 1.00 0.20 C HETATM 1256 O ALA A 182 1.412 22.142 76.521 1.00 -0.39 O HETATM 1257 N ALA A 182 0.693 21.756 78.615 1.00 -0.26 N HETATM 1258 CA ALA A 182 -0.325 20.832 78.143 1.00 0.13 C HETATM 1259 C ALA A 182 -1.344 21.525 77.249 1.00 0.20 C HETATM 1260 O ALA A 182 -1.673 21.016 76.176 1.00 -0.39 O HETATM 1261 N ALA A 182 -1.882 22.675 77.668 1.00 -0.26 N HETATM 1262 CA ALA A 182 -2.894 23.307 76.828 1.00 0.16 C HETATM 1263 C ALA A 182 -2.273 23.868 75.560 1.00 0.21 C HETATM 1264 O ALA A 182 -2.908 23.848 74.501 1.00 -0.39 O HETATM 1265 N ALA A 182 -1.014 24.308 75.633 1.00 -0.26 N HETATM 1266 CA ALA A 182 -0.331 24.818 74.453 1.00 0.13 C HETATM 1267 C ALA A 182 -0.078 23.716 73.434 1.00 0.20 C HETATM 1268 O ALA A 182 -0.207 23.944 72.226 1.00 -0.39 O HETATM 1269 N ALA A 182 0.306 22.525 73.888 1.00 -0.26 N HETATM 1270 CA ALA A 182 0.471 21.406 72.966 1.00 0.13 C HETATM 1271 C ALA A 182 -0.821 21.146 72.230 1.00 0.20 C HETATM 1272 O ALA A 182 -0.828 20.898 71.020 1.00 -0.39 O HETATM 1273 N ALA A 182 -1.927 21.161 72.963 1.00 -0.26 N HETATM 1274 CA ALA A 182 -3.205 20.803 72.380 1.00 0.13 C HETATM 1275 C ALA A 182 -3.715 21.839 71.403 1.00 0.20 C HETATM 1276 O ALA A 182 -4.478 21.496 70.500 1.00 -0.39 O HETATM 1277 N ALA A 182 -3.339 23.104 71.557 1.00 -0.26 N HETATM 1278 CA ALA A 182 -3.890 24.106 70.662 1.00 0.15 C HETATM 1279 C ALA A 182 -2.960 24.432 69.507 1.00 0.21 C HETATM 1280 O ALA A 182 -3.377 25.115 68.568 1.00 -0.39 O HETATM 1281 N ALA A 182 -1.743 23.904 69.528 1.00 -0.26 N HETATM 1282 CA ALA A 182 -0.766 24.061 68.460 1.00 0.16 C HETATM 1283 C ALA A 182 -0.532 22.634 67.971 1.00 0.21 C HETATM 1284 O ALA A 182 0.465 22.001 68.318 1.00 -0.39 O HETATM 1285 N ALA A 182 -1.498 22.113 67.218 1.00 -0.27 N HETATM 1286 CA ALA A 182 -1.420 20.750 66.729 1.00 0.12 C HETATM 1287 C ALA A 182 -0.670 20.604 65.431 1.00 0.20 C HETATM 1288 O ALA A 182 -0.357 19.480 65.030 1.00 -0.39 O HETATM 1289 N ALA A 182 -0.349 21.716 64.781 1.00 -0.27 N HETATM 1290 CA ALA A 182 0.412 21.667 63.565 1.00 0.12 C HETATM 1291 C ALA A 182 1.892 21.566 63.845 1.00 0.20 C HETATM 1292 O ALA A 182 2.642 21.404 62.953 1.00 -0.39 O HETATM 1293 N ALA A 182 2.372 21.640 65.078 1.00 -0.26 N HETATM 1294 CA ALA A 182 3.806 21.546 65.230 1.00 0.13 C HETATM 1295 CB ALA A 182 4.357 21.998 66.591 1.00 -0.01 C HETATM 1296 CG ALA A 182 5.828 21.775 66.793 1.00 -0.05 C HETATM 1297 CD ALA A 182 6.220 22.612 67.968 1.00 -0.03 C HETATM 1298 CE ALA A 182 7.725 22.433 68.037 1.00 0.03 C HETATM 1299 NZ ALA A 182 8.521 23.292 67.200 1.00 -0.29 N HETATM 1300 CH ALA A 182 8.799 24.616 67.459 1.00 0.17 C HETATM 1301 OH ALA A 182 8.289 25.041 68.465 1.00 -0.40 O HETATM 1302 CH3 ALA A 182 9.653 25.506 66.647 1.00 0.03 C HETATM 1303 H105 ALA A 182 10.031 24.955 65.773 1.00 0.05 H HETATM 1304 H106 ALA A 182 10.501 25.855 67.255 1.00 0.05 H HETATM 1305 H107 ALA A 182 9.064 26.371 66.308 1.00 0.05 H HETATM 1306 H108 ALA A 182 8.902 22.896 66.365 1.00 0.18 H HETATM 1307 H109 ALA A 182 8.033 22.605 69.079 1.00 0.05 H HETATM 1308 H110 ALA A 182 7.949 21.394 67.756 1.00 0.05 H HETATM 1309 H111 ALA A 182 5.956 23.667 67.806 1.00 0.03 H HETATM 1310 H112 ALA A 182 5.737 22.250 68.888 1.00 0.03 H HETATM 1311 H113 ALA A 182 6.028 20.713 66.998 1.00 0.03 H HETATM 1312 H114 ALA A 182 6.387 22.087 65.899 1.00 0.03 H HETATM 1313 H115 ALA A 182 4.159 23.075 66.698 1.00 0.03 H HETATM 1314 H116 ALA A 182 3.819 21.447 67.376 1.00 0.03 H HETATM 1315 C ALA A 182 4.263 20.146 64.891 1.00 0.20 C HETATM 1316 O ALA A 182 3.667 19.163 65.331 1.00 -0.39 O HETATM 1317 N ALA A 182 5.304 20.056 64.059 1.00 -0.27 N HETATM 1318 CA ALA A 182 5.833 18.749 63.678 1.00 0.09 C HETATM 1319 C ALA A 182 5.910 17.804 64.863 1.00 0.06 C HETATM 1320 O ALA A 182 6.698 18.028 65.780 1.00 -0.57 O HETATM 1321 OXT ALA A 182 5.185 16.812 64.909 1.00 -0.57 O HETATM 1322 CB ALA A 182 7.213 18.883 63.063 1.00 -0.03 C HETATM 1323 H121 ALA A 182 7.589 17.887 62.785 1.00 0.03 H HETATM 1324 H122 ALA A 182 7.896 19.342 63.792 1.00 0.03 H HETATM 1325 H123 ALA A 182 7.155 19.516 62.166 1.00 0.03 H HETATM 1326 H120 ALA A 182 5.156 18.312 62.929 1.00 0.07 H HETATM 1327 H119 ALA A 182 5.723 20.888 63.695 1.00 0.19 H HETATM 1328 H117 ALA A 182 4.244 22.223 64.482 1.00 0.08 H HETATM 1329 H118 ALA A 182 1.769 21.756 65.868 1.00 0.19 H HETATM 1330 H103 ALA A 182 0.219 22.581 62.985 1.00 0.08 H HETATM 1331 H104 ALA A 182 0.098 20.789 62.981 1.00 0.08 H HETATM 1332 H102 ALA A 182 -0.642 22.601 65.144 1.00 0.19 H HETATM 1333 H100 ALA A 182 -2.444 20.377 66.580 1.00 0.08 H HETATM 1334 H101 ALA A 182 -0.914 20.138 67.491 1.00 0.08 H HETATM 1335 H99 ALA A 182 -2.293 22.673 66.985 1.00 0.19 H HETATM 1336 CB ALA A 182 0.533 24.679 68.985 1.00 0.09 C HETATM 1337 OG1 ALA A 182 1.215 23.705 69.780 1.00 -0.39 O HETATM 1338 H95 ALA A 182 1.411 22.944 69.247 1.00 0.21 H HETATM 1339 CG2 ALA A 182 0.286 25.936 69.826 1.00 -0.03 C HETATM 1340 H96 ALA A 182 1.248 26.338 70.176 1.00 0.03 H HETATM 1341 H97 ALA A 182 -0.342 25.680 70.692 1.00 0.03 H HETATM 1342 H98 ALA A 182 -0.226 26.693 69.213 1.00 0.03 H HETATM 1343 H94 ALA A 182 1.164 24.952 68.126 1.00 0.06 H HETATM 1344 H93 ALA A 182 -1.169 24.690 67.652 1.00 0.08 H HETATM 1345 H92 ALA A 182 -1.480 23.364 70.328 1.00 0.19 H HETATM 1346 CB ALA A 182 -4.284 25.370 71.428 1.00 0.08 C HETATM 1347 OG ALA A 182 -3.180 25.948 72.081 1.00 -0.39 O HETATM 1348 H91 ALA A 182 -2.817 25.324 72.699 1.00 0.21 H HETATM 1349 H89 ALA A 182 -5.045 25.110 72.178 1.00 0.06 H HETATM 1350 H90 ALA A 182 -4.702 26.101 70.720 1.00 0.06 H HETATM 1351 H88 ALA A 182 -4.809 23.684 70.229 1.00 0.08 H HETATM 1352 H87 ALA A 182 -2.691 23.360 72.274 1.00 0.19 H HETATM 1353 CB ALA A 182 -4.239 20.610 73.476 1.00 -0.01 C HETATM 1354 CG ALA A 182 -3.902 19.474 74.384 1.00 -0.04 C HETATM 1355 CD ALA A 182 -4.916 19.384 75.485 1.00 -0.01 C HETATM 1356 CE ALA A 182 -4.797 18.096 76.235 1.00 -0.04 C HETATM 1357 NZ ALA A 182 -5.632 18.156 77.455 1.00 0.22 N HETATM 1358 H84 ALA A 182 -5.551 17.288 77.960 1.00 0.20 H HETATM 1359 H85 ALA A 182 -6.595 18.306 77.196 1.00 0.20 H HETATM 1360 H86 ALA A 182 -5.319 18.915 78.040 1.00 0.20 H HETATM 1361 H82 ALA A 182 -3.747 17.932 76.517 1.00 0.08 H HETATM 1362 H83 ALA A 182 -5.139 17.267 75.597 1.00 0.08 H HETATM 1363 H80 ALA A 182 -5.924 19.452 75.049 1.00 0.03 H HETATM 1364 H81 ALA A 182 -4.761 20.220 76.183 1.00 0.03 H HETATM 1365 H78 ALA A 182 -2.905 19.638 74.819 1.00 0.03 H HETATM 1366 H79 ALA A 182 -3.902 18.536 73.810 1.00 0.03 H HETATM 1367 H76 ALA A 182 -5.215 20.411 73.010 1.00 0.03 H HETATM 1368 H77 ALA A 182 -4.298 21.533 74.072 1.00 0.03 H HETATM 1369 H75 ALA A 182 -3.079 19.853 71.840 1.00 0.08 H HETATM 1370 H74 ALA A 182 -1.878 21.422 73.927 1.00 0.19 H HETATM 1371 CB ALA A 182 0.800 20.140 73.743 1.00 -0.01 C HETATM 1372 CG ALA A 182 2.133 19.561 73.490 1.00 -0.02 C HETATM 1373 CD ALA A 182 2.286 18.302 74.246 1.00 0.06 C HETATM 1374 NE ALA A 182 3.668 18.124 74.650 1.00 -0.27 N HETATM 1375 CZ ALA A 182 4.091 17.985 75.904 1.00 0.29 C HETATM 1376 NH1 ALA A 182 3.253 18.021 76.927 1.00 -0.28 N HETATM 1377 H70 ALA A 182 3.608 17.911 77.888 1.00 0.26 H HETATM 1378 H71 ALA A 182 2.246 18.159 76.763 1.00 0.26 H HETATM 1379 NH2 ALA A 182 5.381 17.794 76.127 1.00 -0.28 N HETATM 1380 H72 ALA A 182 6.041 17.764 75.337 1.00 0.26 H HETATM 1381 H73 ALA A 182 5.725 17.675 77.091 1.00 0.26 H HETATM 1382 H69 ALA A 182 4.380 18.104 73.906 1.00 0.26 H HETATM 1383 H67 ALA A 182 1.982 17.457 73.610 1.00 0.07 H HETATM 1384 H68 ALA A 182 1.647 18.336 75.141 1.00 0.07 H HETATM 1385 H65 ALA A 182 2.907 20.274 73.809 1.00 0.03 H HETATM 1386 H66 ALA A 182 2.244 19.357 72.415 1.00 0.03 H HETATM 1387 H63 ALA A 182 0.047 19.380 73.485 1.00 0.03 H HETATM 1388 H64 ALA A 182 0.732 20.375 74.816 1.00 0.03 H HETATM 1389 H62 ALA A 182 1.276 21.633 72.251 1.00 0.08 H HETATM 1390 H61 ALA A 182 0.482 22.397 74.864 1.00 0.19 H HETATM 1391 CB ALA A 182 0.984 25.467 74.873 1.00 -0.02 C HETATM 1392 H58 ALA A 182 1.503 25.854 73.983 1.00 0.03 H HETATM 1393 H59 ALA A 182 1.619 24.720 75.372 1.00 0.03 H HETATM 1394 H60 ALA A 182 0.779 26.296 75.567 1.00 0.03 H HETATM 1395 H57 ALA A 182 -0.968 25.582 73.984 1.00 0.08 H HETATM 1396 H56 ALA A 182 -0.534 24.287 76.510 1.00 0.19 H HETATM 1397 CB ALA A 182 -3.717 24.354 77.598 1.00 0.09 C HETATM 1398 OG1 ALA A 182 -2.902 25.488 77.911 1.00 -0.39 O HETATM 1399 H52 ALA A 182 -2.578 25.876 77.106 1.00 0.21 H HETATM 1400 CG2 ALA A 182 -4.326 23.738 78.875 1.00 -0.03 C HETATM 1401 H53 ALA A 182 -4.909 24.503 79.409 1.00 0.03 H HETATM 1402 H54 ALA A 182 -3.519 23.372 79.526 1.00 0.03 H HETATM 1403 H55 ALA A 182 -4.984 22.901 78.600 1.00 0.03 H HETATM 1404 H51 ALA A 182 -4.542 24.690 76.952 1.00 0.06 H HETATM 1405 H50 ALA A 182 -3.596 22.518 76.520 1.00 0.08 H HETATM 1406 H49 ALA A 182 -1.599 23.090 78.532 1.00 0.19 H HETATM 1407 CB ALA A 182 -1.005 20.125 79.309 1.00 0.00 C HETATM 1408 CG ALA A 182 -2.188 19.255 78.775 1.00 0.04 C HETATM 1409 CD ALA A 182 -2.597 18.024 79.601 1.00 0.17 C HETATM 1410 OE1 ALA A 182 -3.479 17.250 79.182 1.00 -0.40 O HETATM 1411 NE2 ALA A 182 -1.966 17.825 80.742 1.00 -0.30 N HETATM 1412 H47 ALA A 182 -2.200 17.037 81.312 1.00 0.18 H HETATM 1413 H48 ALA A 182 -1.254 18.462 81.037 1.00 0.18 H HETATM 1414 H45 ALA A 182 -1.909 18.900 77.772 1.00 0.05 H HETATM 1415 H46 ALA A 182 -3.070 19.909 78.700 1.00 0.05 H HETATM 1416 H43 ALA A 182 -1.391 20.874 80.016 1.00 0.03 H HETATM 1417 H44 ALA A 182 -0.277 19.479 79.820 1.00 0.03 H HETATM 1418 H42 ALA A 182 0.179 20.065 77.537 1.00 0.08 H HETATM 1419 H41 ALA A 182 0.782 21.952 79.592 1.00 0.19 H HETATM 1420 CB ALA A 182 3.748 22.491 78.837 1.00 -0.01 C HETATM 1421 CG ALA A 182 4.366 21.642 77.735 1.00 -0.04 C HETATM 1422 CD ALA A 182 5.593 20.867 78.153 1.00 -0.01 C HETATM 1423 CE ALA A 182 6.719 21.771 78.566 1.00 -0.04 C HETATM 1424 NZ ALA A 182 8.028 21.086 78.407 1.00 0.22 N HETATM 1425 H38 ALA A 182 8.769 21.708 78.689 1.00 0.20 H HETATM 1426 H39 ALA A 182 8.156 20.826 77.442 1.00 0.20 H HETATM 1427 H40 ALA A 182 8.046 20.259 78.983 1.00 0.20 H HETATM 1428 H36 ALA A 182 6.586 22.055 79.620 1.00 0.08 H HETATM 1429 H37 ALA A 182 6.706 22.674 77.938 1.00 0.08 H HETATM 1430 H34 ALA A 182 5.927 20.248 77.307 1.00 0.03 H HETATM 1431 H35 ALA A 182 5.330 20.218 79.001 1.00 0.03 H HETATM 1432 H32 ALA A 182 4.647 22.308 76.905 1.00 0.03 H HETATM 1433 H33 ALA A 182 3.608 20.924 77.389 1.00 0.03 H HETATM 1434 H30 ALA A 182 3.405 21.835 79.651 1.00 0.03 H HETATM 1435 H31 ALA A 182 4.504 23.190 79.224 1.00 0.03 H HETATM 1436 H29 ALA A 182 2.922 23.930 77.484 1.00 0.08 H HETATM 1437 H28 ALA A 182 2.406 24.131 80.253 1.00 0.19 H HETATM 1438 CB ALA A 182 -0.270 24.578 81.185 1.00 0.09 C HETATM 1439 OG1 ALA A 182 -1.146 23.706 80.463 1.00 -0.39 O HETATM 1440 H24 ALA A 182 -1.517 23.067 81.060 1.00 0.21 H HETATM 1441 CG2 ALA A 182 -1.000 25.279 82.318 1.00 -0.03 C HETATM 1442 H25 ALA A 182 -1.409 24.529 83.011 1.00 0.03 H HETATM 1443 H26 ALA A 182 -1.821 25.884 81.906 1.00 0.03 H HETATM 1444 H27 ALA A 182 -0.298 25.932 82.857 1.00 0.03 H HETATM 1445 H23 ALA A 182 0.550 23.984 81.615 1.00 0.06 H HETATM 1446 H22 ALA A 182 1.076 26.193 80.714 1.00 0.08 H HETATM 1447 H21 ALA A 182 -1.515 26.053 79.230 1.00 0.19 H HETATM 1448 CB ALA A 182 -0.665 28.988 77.564 1.00 -0.01 C HETATM 1449 CG ALA A 182 -1.417 29.751 76.495 1.00 -0.02 C HETATM 1450 CD ALA A 182 -0.472 30.164 75.413 1.00 0.06 C HETATM 1451 NE ALA A 182 0.489 31.100 75.968 1.00 -0.27 N HETATM 1452 CZ ALA A 182 1.781 31.132 75.654 1.00 0.29 C HETATM 1453 NH1 ALA A 182 2.294 30.291 74.769 1.00 -0.28 N HETATM 1454 H17 ALA A 182 3.297 30.333 74.540 1.00 0.26 H HETATM 1455 H18 ALA A 182 1.690 29.595 74.309 1.00 0.26 H HETATM 1456 NH2 ALA A 182 2.565 32.024 76.221 1.00 -0.28 N HETATM 1457 H19 ALA A 182 2.179 32.684 76.911 1.00 0.26 H HETATM 1458 H20 ALA A 182 3.564 32.062 75.975 1.00 0.26 H HETATM 1459 H16 ALA A 182 0.146 31.788 76.653 1.00 0.26 H HETATM 1460 H14 ALA A 182 -1.031 30.647 74.598 1.00 0.07 H HETATM 1461 H15 ALA A 182 0.054 29.280 75.024 1.00 0.07 H HETATM 1462 H12 ALA A 182 -1.877 30.646 76.939 1.00 0.03 H HETATM 1463 H13 ALA A 182 -2.201 29.108 76.070 1.00 0.03 H HETATM 1464 H10 ALA A 182 -0.240 28.084 77.104 1.00 0.03 H HETATM 1465 H11 ALA A 182 0.149 29.629 77.933 1.00 0.03 H HETATM 1466 H9 ALA A 182 -2.337 27.920 78.417 1.00 0.08 H HETATM 1467 H8 ALA A 182 -1.443 30.482 79.655 1.00 0.19 H HETATM 1468 CB ALA A 182 -3.332 31.034 81.943 1.00 -0.00 C HETATM 1469 H5 ALA A 182 -2.249 30.860 82.024 1.00 0.03 H HETATM 1470 H6 ALA A 182 -3.873 30.210 82.431 1.00 0.03 H HETATM 1471 H7 ALA A 182 -3.588 31.984 82.435 1.00 0.03 H HETATM 1472 H4 ALA A 182 -3.188 31.935 80.008 1.00 0.11 H HETATM 1473 H1 ALA A 182 -5.444 32.198 80.799 1.00 0.20 H HETATM 1474 H2 ALA A 182 -5.702 30.573 80.758 1.00 0.20 H HETATM 1475 H3 ALA A 182 -5.432 31.399 79.360 1.00 0.20 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 82 81 1060 CONECT 110 109 1060 CONECT 283 282 1061 CONECT 305 304 1061 CONECT 348 347 350 1060 CONECT 374 373 1060 CONECT 562 561 1061 CONECT 588 587 1061 CONECT 616 615 1062 CONECT 641 640 1062 CONECT 751 750 1063 CONECT 776 775 1063 CONECT 829 828 831 1062 CONECT 862 861 1062 CONECT 980 979 1063 CONECT 1007 1006 1063 CONECT 1060 82 110 348 374 CONECT 1061 283 305 562 588 CONECT 1062 616 641 829 862 CONECT 1063 751 776 980 1007 CONECT 1241 1242 1473 1474 1475 CONECT 1242 1241 1243 1468 1472 CONECT 1243 1242 1244 1245 CONECT 1244 1243 CONECT 1245 1243 1246 1467 CONECT 1246 1245 1247 1448 1466 CONECT 1247 1246 1248 1249 CONECT 1248 1247 CONECT 1249 1247 1250 1447 CONECT 1250 1249 1251 1438 1446 CONECT 1251 1250 1252 1253 CONECT 1252 1251 CONECT 1253 1251 1254 1437 CONECT 1254 1253 1255 1420 1436 CONECT 1255 1254 1256 1257 CONECT 1256 1255 CONECT 1257 1255 1258 1419 CONECT 1258 1257 1259 1407 1418 CONECT 1259 1258 1260 1261 CONECT 1260 1259 CONECT 1261 1259 1262 1406 CONECT 1262 1261 1263 1397 1405 CONECT 1263 1262 1264 1265 CONECT 1264 1263 CONECT 1265 1263 1266 1396 CONECT 1266 1265 1267 1391 1395 CONECT 1267 1266 1268 1269 CONECT 1268 1267 CONECT 1269 1267 1270 1390 CONECT 1270 1269 1271 1371 1389 CONECT 1271 1270 1272 1273 CONECT 1272 1271 CONECT 1273 1271 1274 1370 CONECT 1274 1273 1275 1353 1369 CONECT 1275 1274 1276 1277 CONECT 1276 1275 CONECT 1277 1275 1278 1352 CONECT 1278 1277 1279 1346 1351 CONECT 1279 1278 1280 1281 CONECT 1280 1279 CONECT 1281 1279 1282 1345 CONECT 1282 1281 1283 1336 1344 CONECT 1283 1282 1284 1285 CONECT 1284 1283 CONECT 1285 1283 1286 1335 CONECT 1286 1285 1287 1333 1334 CONECT 1287 1286 1288 1289 CONECT 1288 1287 CONECT 1289 1287 1290 1332 CONECT 1290 1289 1291 1330 1331 CONECT 1291 1290 1292 1293 CONECT 1292 1291 CONECT 1293 1291 1294 1329 CONECT 1294 1293 1295 1315 1328 CONECT 1295 1294 1296 1313 1314 CONECT 1296 1295 1297 1311 1312 CONECT 1297 1296 1298 1309 1310 CONECT 1298 1297 1299 1307 1308 CONECT 1299 1298 1300 1306 CONECT 1300 1299 1301 1302 CONECT 1301 1300 CONECT 1302 1300 1303 1304 1305 CONECT 1303 1302 CONECT 1304 1302 CONECT 1305 1302 CONECT 1306 1299 CONECT 1307 1298 CONECT 1308 1298 CONECT 1309 1297 CONECT 1310 1297 CONECT 1311 1296 CONECT 1312 1296 CONECT 1313 1295 CONECT 1314 1295 CONECT 1315 1294 1316 1317 CONECT 1316 1315 CONECT 1317 1315 1318 1327 CONECT 1318 1317 1319 1322 1326 CONECT 1319 1318 1320 1321 CONECT 1320 1319 CONECT 1321 1319 CONECT 1322 1318 1323 1324 1325 CONECT 1323 1322 CONECT 1324 1322 CONECT 1325 1322 CONECT 1326 1318 CONECT 1327 1317 CONECT 1328 1294 CONECT 1329 1293 CONECT 1330 1290 CONECT 1331 1290 CONECT 1332 1289 CONECT 1333 1286 CONECT 1334 1286 CONECT 1335 1285 CONECT 1336 1282 1337 1339 1343 CONECT 1337 1336 1338 CONECT 1338 1337 CONECT 1339 1336 1340 1341 1342 CONECT 1340 1339 CONECT 1341 1339 CONECT 1342 1339 CONECT 1343 1336 CONECT 1344 1282 CONECT 1345 1281 CONECT 1346 1278 1347 1349 1350 CONECT 1347 1346 1348 CONECT 1348 1347 CONECT 1349 1346 CONECT 1350 1346 CONECT 1351 1278 CONECT 1352 1277 CONECT 1353 1274 1354 1367 1368 CONECT 1354 1353 1355 1365 1366 CONECT 1355 1354 1356 1363 1364 CONECT 1356 1355 1357 1361 1362 CONECT 1357 1356 1358 1359 1360 CONECT 1358 1357 CONECT 1359 1357 CONECT 1360 1357 CONECT 1361 1356 CONECT 1362 1356 CONECT 1363 1355 CONECT 1364 1355 CONECT 1365 1354 CONECT 1366 1354 CONECT 1367 1353 CONECT 1368 1353 CONECT 1369 1274 CONECT 1370 1273 CONECT 1371 1270 1372 1387 1388 CONECT 1372 1371 1373 1385 1386 CONECT 1373 1372 1374 1383 1384 CONECT 1374 1373 1375 1382 CONECT 1375 1374 1376 1379 CONECT 1376 1375 1377 1378 CONECT 1377 1376 CONECT 1378 1376 CONECT 1379 1375 1380 1381 CONECT 1380 1379 CONECT 1381 1379 CONECT 1382 1374 CONECT 1383 1373 CONECT 1384 1373 CONECT 1385 1372 CONECT 1386 1372 CONECT 1387 1371 CONECT 1388 1371 CONECT 1389 1270 CONECT 1390 1269 CONECT 1391 1266 1392 1393 1394 CONECT 1392 1391 CONECT 1393 1391 CONECT 1394 1391 CONECT 1395 1266 CONECT 1396 1265 CONECT 1397 1262 1398 1400 1404 CONECT 1398 1397 1399 CONECT 1399 1398 CONECT 1400 1397 1401 1402 1403 CONECT 1401 1400 CONECT 1402 1400 CONECT 1403 1400 CONECT 1404 1397 CONECT 1405 1262 CONECT 1406 1261 CONECT 1407 1258 1408 1416 1417 CONECT 1408 1407 1409 1414 1415 CONECT 1409 1408 1410 1411 CONECT 1410 1409 CONECT 1411 1409 1412 1413 CONECT 1412 1411 CONECT 1413 1411 CONECT 1414 1408 CONECT 1415 1408 CONECT 1416 1407 CONECT 1417 1407 CONECT 1418 1258 CONECT 1419 1257 CONECT 1420 1254 1421 1434 1435 CONECT 1421 1420 1422 1432 1433 CONECT 1422 1421 1423 1430 1431 CONECT 1423 1422 1424 1428 1429 CONECT 1424 1423 1425 1426 1427 CONECT 1425 1424 CONECT 1426 1424 CONECT 1427 1424 CONECT 1428 1423 CONECT 1429 1423 CONECT 1430 1422 CONECT 1431 1422 CONECT 1432 1421 CONECT 1433 1421 CONECT 1434 1420 CONECT 1435 1420 CONECT 1436 1254 CONECT 1437 1253 CONECT 1438 1250 1439 1441 1445 CONECT 1439 1438 1440 CONECT 1440 1439 CONECT 1441 1438 1442 1443 1444 CONECT 1442 1441 CONECT 1443 1441 CONECT 1444 1441 CONECT 1445 1438 CONECT 1446 1250 CONECT 1447 1249 CONECT 1448 1246 1449 1464 1465 CONECT 1449 1448 1450 1462 1463 CONECT 1450 1449 1451 1460 1461 CONECT 1451 1450 1452 1459 CONECT 1452 1451 1453 1456 CONECT 1453 1452 1454 1455 CONECT 1454 1453 CONECT 1455 1453 CONECT 1456 1452 1457 1458 CONECT 1457 1456 CONECT 1458 1456 CONECT 1459 1451 CONECT 1460 1450 CONECT 1461 1450 CONECT 1462 1449 CONECT 1463 1449 CONECT 1464 1448 CONECT 1465 1448 CONECT 1466 1246 CONECT 1467 1245 CONECT 1468 1242 1469 1470 1471 CONECT 1469 1468 CONECT 1470 1468 CONECT 1471 1468 CONECT 1472 1242 CONECT 1473 1241 CONECT 1474 1241 CONECT 1475 1241 MASTER 0 0 0 0 0 0 0 0 1474 1 259 9 END
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Entry Information
PDB ID
5szb
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Zinc finger protein DPF3
Ligand Name
18-mer
EC.Number
E.C.-.-.-.-
Resolution
1.2(Å)
Affinity (Kd/Ki/IC50)
Kd=7.8uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Nat. Genet. Vol. 50: pp. 73-82
Ligand Properties
Formula
C
6
5
H
1
2
4
N
2
5
O
2
2
Molecular Weight
1607.830
Exact Mass
1606.940
No. of atoms
236
No. of bonds
235
Polar Surface Area
812.75
LOGP Value
-9.17 (
Computed with XLOGP3
)
-10.04 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 23
No. of Hydrogen Bond Acceptors: 22
No. of Rotatable Bonds: 75
No. of Nitrogen and Oxygen Atoms: 47
No. of Rings: 0
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)CCCCNC(=O)C)[C@H](O)C)CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C)CCC[NH+]=C(N)N)CCCC[NH3+])CCC(=O)N)C)CCC[NH+]=C(N)N
InChI String
InChI=1S/C65H119N25O22/c1-31(68)51(99)82-42(20-15-27-76-65(72)73)57(105)90-50(36(6)94)62(110)86-40(17-9-12-24-67)54(102)85-43(21-22-45(69)96)58(106)89-49(35(5)93)61(109)79-32(2)52(100)83-41(19-14-26-75-64(70)71)55(103)84-39(16-8-11-23-66)56(104)87-44(30-91)59(107)88-48(34(4)92)60(108)78-28-46(97)77-29-47(98)81-38(18-10-13-25-74-37(7)95)53(101)80-33(3)63(111)112/h31-36,38-44,48-50,91-94H,8-30,66-68H2,1-7H3,(H2,69,96)(H,74,95)(H,77,97)(H,78,108)(H,79,109)(H,80,101)(H,81,98)(H,82,99)(H,83,100)(H,84,103)(H,85,102)(H,86,110)(H,87,104)(H,88,107)(H,89,106)(H,90,105)(H,111,112)(H4,70,71,75)(H4,72,73,76)/p+5/t31-,32-,33-,34+,35+,36+,38-,39-,40-,41-,42-,43-,44-,48-,49-,50-/m0/s1
Links to External Databases
RCSB PDB
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PDBsum
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UniProtKB AC
UniProt accession number (AC):
Q92784
P68431
Entrez Gene ID
NCBI Entrez Gene ID:
8110
8350
8351
8352
8353
8354
8355
8356
8357
8358
8968
ASD
Information of known allosteric effects of PDB entries
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