Browse entries in the PDBbind-CN Database
HEADER 6K04_COMPLEX COMPND 6K04_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 108 SER GLU GLN LEU LYS HIS CYS ASN GLY ILE LEU LYS GLU SEQRES 2 A 108 LEU LEU SER LYS LYS HIS ALA ALA TYR ALA TRP PRO PHE SEQRES 3 A 108 TYR LYS PRO VAL ASP ALA SER ALA LEU GLY LEU HIS ASP SEQRES 4 A 108 TYR HIS ASP ILE ILE LYS HIS PRO MET ASP LEU SER THR SEQRES 5 A 108 VAL LYS ARG LYS MET GLU ASN ARG ASP TYR ARG ASP ALA SEQRES 6 A 108 GLN GLU PHE ALA ALA ASP VAL ARG LEU MET PHE SER ASN SEQRES 7 A 108 CYS TYR LYS TYR ASN PRO PRO ASP HIS ASP VAL VAL ALA SEQRES 8 A 108 MET ALA ARG LYS LEU GLN ASP VAL PHE GLU PHE ARG TYR SEQRES 9 A 108 ALA LYS MET PRO HET CQF A 270 50 ATOM 1 N SER A 347 -12.110 56.694 16.425 1.00 30.00 N ATOM 2 CA SER A 347 -11.835 55.317 16.822 1.00 30.00 C ATOM 3 C SER A 347 -10.394 55.158 17.295 1.00 30.00 C ATOM 4 O SER A 347 -9.535 56.025 17.128 1.00 30.00 O ATOM 5 CB SER A 347 -12.114 54.358 15.663 1.00 30.00 C ATOM 6 OG SER A 347 -11.240 54.603 14.575 1.00 30.00 O ATOM 7 HG SER A 347 -11.443 53.970 13.841 1.00 0.00 H ATOM 8 HN3 SER A 347 -11.473 56.963 15.648 1.00 0.00 H ATOM 9 HN2 SER A 347 -11.955 57.325 17.237 1.00 0.00 H ATOM 10 HN1 SER A 347 -13.097 56.771 16.108 1.00 0.00 H ATOM 11 N GLU A 348 -10.176 54.041 17.824 1.00 18.00 N ATOM 12 CA GLU A 348 -8.822 53.751 18.280 1.00 16.66 C ATOM 13 C GLU A 348 -7.846 53.719 17.107 1.00 16.44 C ATOM 14 O GLU A 348 -6.713 54.206 17.205 1.00 14.75 O ATOM 15 CB GLU A 348 -8.832 52.420 19.027 1.00 21.98 C ATOM 16 H GLU A 348 -10.939 53.343 17.934 1.00 0.00 H ATOM 17 N GLN A 349 -8.262 53.134 15.988 1.00 14.01 N ATOM 18 CA GLN A 349 -7.389 53.118 14.823 1.00 14.03 C ATOM 19 C GLN A 349 -7.154 54.524 14.291 1.00 12.12 C ATOM 20 O GLN A 349 -6.046 54.852 13.858 1.00 12.69 O ATOM 21 CB GLN A 349 -7.973 52.213 13.748 1.00 14.73 C ATOM 22 CG GLN A 349 -7.883 50.745 14.119 1.00 15.73 C ATOM 23 CD GLN A 349 -8.240 49.833 12.973 1.00 20.08 C ATOM 24 OE1 GLN A 349 -8.911 50.238 12.022 1.00 23.22 O ATOM 25 NE2 GLN A 349 -7.788 48.588 13.052 1.00 25.16 N ATOM 26 HE22 GLN A 349 -7.225 48.290 13.874 1.00 0.00 H ATOM 27 HE21 GLN A 349 -7.997 47.910 12.292 1.00 0.00 H ATOM 28 H GLN A 349 -9.202 52.692 15.945 1.00 0.00 H ATOM 29 N LEU A 350 -8.176 55.372 14.322 1.00 12.66 N ATOM 30 CA LEU A 350 -7.980 56.740 13.855 1.00 12.47 C ATOM 31 C LEU A 350 -7.089 57.548 14.792 1.00 11.95 C ATOM 32 O LEU A 350 -6.375 58.440 14.330 1.00 12.01 O ATOM 33 CB LEU A 350 -9.321 57.425 13.587 1.00 14.62 C ATOM 34 CG LEU A 350 -9.937 57.046 12.237 1.00 15.65 C ATOM 35 CD1 LEU A 350 -11.383 57.494 12.154 1.00 20.58 C ATOM 36 CD2 LEU A 350 -9.135 57.640 11.103 1.00 17.10 C ATOM 37 H LEU A 350 -9.105 55.064 14.675 1.00 0.00 H ATOM 38 N LYS A 351 -7.091 57.235 16.090 1.00 12.70 N ATOM 39 CA LYS A 351 -6.127 57.856 16.994 1.00 12.12 C ATOM 40 C LYS A 351 -4.706 57.468 16.615 1.00 10.95 C ATOM 41 O LYS A 351 -3.803 58.312 16.630 1.00 11.71 O ATOM 42 CB LYS A 351 -6.413 57.441 18.436 1.00 14.44 C ATOM 43 CG LYS A 351 -7.746 57.896 18.972 1.00 21.60 C ATOM 44 CD LYS A 351 -7.638 59.282 19.551 1.00 23.58 C ATOM 45 CE LYS A 351 -8.786 59.562 20.507 1.00 26.19 C ATOM 46 NZ LYS A 351 -8.626 60.903 21.132 1.00 23.90 N ATOM 47 HZ1 LYS A 351 -7.730 60.934 21.660 1.00 0.00 H ATOM 48 HZ2 LYS A 351 -8.618 61.631 20.390 1.00 0.00 H ATOM 49 HZ3 LYS A 351 -9.419 61.078 21.782 1.00 0.00 H ATOM 50 H LYS A 351 -7.780 56.548 16.458 1.00 0.00 H ATOM 51 N HIS A 352 -4.486 56.188 16.289 1.00 11.34 N ATOM 52 CA HIS A 352 -3.177 55.774 15.802 1.00 11.44 C ATOM 53 C HIS A 352 -2.801 56.546 14.545 1.00 10.90 C ATOM 54 O HIS A 352 -1.664 57.015 14.412 1.00 10.99 O ATOM 55 CB HIS A 352 -3.176 54.270 15.542 1.00 12.92 C ATOM 56 CG HIS A 352 -1.854 53.739 15.089 1.00 12.49 C ATOM 57 ND1 HIS A 352 -0.763 53.629 15.925 1.00 16.13 N ATOM 58 CD2 HIS A 352 -1.455 53.274 13.884 1.00 14.90 C ATOM 59 CE1 HIS A 352 0.252 53.117 15.252 1.00 16.46 C ATOM 60 NE2 HIS A 352 -0.146 52.881 14.015 1.00 13.98 N ATOM 61 H HIS A 352 -5.250 55.489 16.384 1.00 0.00 H ATOM 62 N CYS A 353 -3.755 56.720 13.623 1.00 11.01 N ATOM 63 CA CYS A 353 -3.490 57.487 12.412 1.00 11.92 C ATOM 64 C CYS A 353 -3.118 58.923 12.749 1.00 10.55 C ATOM 65 O CYS A 353 -2.206 59.495 12.142 1.00 11.27 O ATOM 66 CB CYS A 353 -4.720 57.461 11.502 1.00 11.59 C ATOM 67 SG CYS A 353 -5.065 55.882 10.732 1.00 13.08 S ATOM 68 H CYS A 353 -4.696 56.303 13.772 1.00 0.00 H ATOM 69 N ASN A 354 -3.839 59.537 13.689 1.00 11.04 N ATOM 70 CA ASN A 354 -3.500 60.895 14.095 1.00 10.98 C ATOM 71 C ASN A 354 -2.105 60.959 14.709 1.00 10.79 C ATOM 72 O ASN A 354 -1.383 61.948 14.519 1.00 11.30 O ATOM 73 CB ASN A 354 -4.552 61.437 15.058 1.00 12.16 C ATOM 74 CG ASN A 354 -4.438 62.925 15.237 1.00 12.59 C ATOM 75 OD1 ASN A 354 -4.338 63.659 14.262 1.00 13.35 O ATOM 76 ND2 ASN A 354 -4.405 63.373 16.485 1.00 14.09 N ATOM 77 HD22 ASN A 354 -4.494 62.707 17.279 1.00 0.00 H ATOM 78 HD21 ASN A 354 -4.290 64.390 16.670 1.00 0.00 H ATOM 79 H ASN A 354 -4.642 59.047 14.132 1.00 0.00 H ATOM 80 N GLY A 355 -1.723 59.930 15.471 1.00 11.08 N ATOM 81 CA GLY A 355 -0.368 59.874 15.996 1.00 11.96 C ATOM 82 C GLY A 355 0.671 59.842 14.893 1.00 10.24 C ATOM 83 O GLY A 355 1.674 60.557 14.945 1.00 11.63 O ATOM 84 H GLY A 355 -2.396 59.168 15.689 1.00 0.00 H ATOM 85 N ILE A 356 0.439 59.006 13.873 1.00 10.72 N ATOM 86 CA ILE A 356 1.326 58.961 12.710 1.00 10.37 C ATOM 87 C ILE A 356 1.424 60.333 12.060 1.00 10.38 C ATOM 88 O ILE A 356 2.511 60.801 11.705 1.00 11.12 O ATOM 89 CB ILE A 356 0.821 57.922 11.692 1.00 11.10 C ATOM 90 CG1 ILE A 356 0.886 56.504 12.265 1.00 11.06 C ATOM 91 CG2 ILE A 356 1.597 58.045 10.377 1.00 13.91 C ATOM 92 CD1 ILE A 356 0.201 55.464 11.384 1.00 12.03 C ATOM 93 H ILE A 356 -0.388 58.376 13.908 1.00 0.00 H ATOM 94 N LEU A 357 0.272 60.968 11.853 1.00 10.65 N ATOM 95 CA LEU A 357 0.236 62.299 11.188 1.00 11.52 C ATOM 96 C LEU A 357 1.089 63.287 11.989 1.00 11.68 C ATOM 97 O LEU A 357 1.884 64.021 11.386 1.00 11.84 O ATOM 98 CB LEU A 357 -1.219 62.767 11.110 1.00 11.82 C ATOM 99 CG LEU A 357 -1.423 64.189 10.593 1.00 14.41 C ATOM 100 CD1 LEU A 357 -0.835 64.342 9.198 1.00 25.78 C ATOM 101 CD2 LEU A 357 -2.902 64.543 10.597 1.00 17.15 C ATOM 102 H LEU A 357 -0.618 60.526 12.161 1.00 0.00 H ATOM 103 N LYS A 358 0.920 63.283 13.308 1.00 11.25 N ATOM 104 CA LYS A 358 1.678 64.168 14.176 1.00 11.00 C ATOM 105 C LYS A 358 3.167 63.874 14.000 1.00 12.29 C ATOM 106 O LYS A 358 3.967 64.789 13.891 1.00 12.47 O ATOM 107 CB LYS A 358 1.246 63.993 15.633 1.00 13.01 C ATOM 108 H LYS A 358 0.228 62.630 13.729 1.00 0.00 H ATOM 109 N GLU A 359 3.533 62.594 13.971 1.00 11.46 N ATOM 110 CA GLU A 359 4.935 62.242 13.769 1.00 12.11 C ATOM 111 C GLU A 359 5.455 62.752 12.427 1.00 11.67 C ATOM 112 O GLU A 359 6.565 63.293 12.348 1.00 12.31 O ATOM 113 CB GLU A 359 5.157 60.738 13.909 1.00 12.21 C ATOM 114 CG GLU A 359 6.588 60.368 13.539 1.00 14.15 C ATOM 115 CD GLU A 359 7.001 58.954 13.909 1.00 13.21 C ATOM 116 OE1 GLU A 359 6.172 58.171 14.425 1.00 14.08 O ATOM 117 OE2 GLU A 359 8.184 58.625 13.679 1.00 14.00 O ATOM 118 H GLU A 359 2.821 61.846 14.092 1.00 0.00 H ATOM 119 N LEU A 360 4.682 62.580 11.356 1.00 11.16 N ATOM 120 CA LEU A 360 5.151 63.025 10.044 1.00 11.34 C ATOM 121 C LEU A 360 5.394 64.524 10.009 1.00 11.74 C ATOM 122 O LEU A 360 6.225 65.000 9.229 1.00 12.67 O ATOM 123 CB LEU A 360 4.136 62.657 8.967 1.00 12.11 C ATOM 124 CG LEU A 360 3.847 61.165 8.781 1.00 11.61 C ATOM 125 CD1 LEU A 360 2.872 60.915 7.646 1.00 13.11 C ATOM 126 CD2 LEU A 360 5.119 60.355 8.563 1.00 13.70 C ATOM 127 H LEU A 360 3.749 62.131 11.452 1.00 0.00 H ATOM 128 N LEU A 361 4.660 65.279 10.819 1.00 12.64 N ATOM 129 CA LEU A 361 4.784 66.730 10.904 1.00 12.49 C ATOM 130 C LEU A 361 5.809 67.190 11.933 1.00 13.72 C ATOM 131 O LEU A 361 6.007 68.405 12.076 1.00 15.02 O ATOM 132 CB LEU A 361 3.416 67.347 11.224 1.00 14.37 C ATOM 133 CG LEU A 361 2.383 67.260 10.101 1.00 13.13 C ATOM 134 CD1 LEU A 361 0.989 67.542 10.610 1.00 16.75 C ATOM 135 CD2 LEU A 361 2.746 68.204 8.968 1.00 16.57 C ATOM 136 H LEU A 361 3.958 64.810 11.426 1.00 0.00 H ATOM 137 N SER A 362 6.481 66.274 12.625 1.00 13.52 N ATOM 138 CA SER A 362 7.329 66.611 13.762 1.00 14.60 C ATOM 139 C SER A 362 8.767 66.902 13.331 1.00 15.02 C ATOM 140 O SER A 362 9.205 66.568 12.228 1.00 14.17 O ATOM 141 CB SER A 362 7.315 65.487 14.804 1.00 16.04 C ATOM 142 OG SER A 362 8.047 64.367 14.348 1.00 16.21 O ATOM 143 HG SER A 362 8.023 63.656 15.037 1.00 0.00 H ATOM 144 H SER A 362 6.398 65.276 12.343 1.00 0.00 H ATOM 145 N LYS A 363 9.512 67.533 14.242 1.00 15.62 N ATOM 146 CA LYS A 363 10.850 68.000 13.899 1.00 16.66 C ATOM 147 C LYS A 363 11.768 66.865 13.472 1.00 15.63 C ATOM 148 O LYS A 363 12.637 67.061 12.619 1.00 15.66 O ATOM 149 CB LYS A 363 11.451 68.773 15.073 1.00 18.87 C ATOM 150 H LYS A 363 9.137 67.692 15.199 1.00 0.00 H ATOM 151 N LYS A 364 11.597 65.670 14.036 1.00 17.14 N ATOM 152 CA LYS A 364 12.564 64.622 13.737 1.00 18.40 C ATOM 153 C LYS A 364 12.540 64.186 12.275 1.00 13.94 C ATOM 154 O LYS A 364 13.527 63.614 11.807 1.00 15.57 O ATOM 155 CB LYS A 364 12.415 63.427 14.677 1.00 22.82 C ATOM 156 CG LYS A 364 11.196 62.588 14.410 1.00 20.20 C ATOM 157 CD LYS A 364 11.274 61.244 15.136 1.00 24.80 C ATOM 158 CE LYS A 364 10.283 61.173 16.278 1.00 31.96 C ATOM 159 NZ LYS A 364 10.453 62.288 17.253 1.00 34.42 N ATOM 160 HZ1 LYS A 364 11.411 62.251 17.657 1.00 0.00 H ATOM 161 HZ2 LYS A 364 10.316 63.197 16.766 1.00 0.00 H ATOM 162 HZ3 LYS A 364 9.750 62.192 18.014 1.00 0.00 H ATOM 163 H LYS A 364 10.795 65.490 14.673 1.00 0.00 H ATOM 164 N HIS A 365 11.452 64.451 11.539 1.00 13.76 N ATOM 165 CA HIS A 365 11.379 64.103 10.121 1.00 11.97 C ATOM 166 C HIS A 365 11.421 65.322 9.208 1.00 12.58 C ATOM 167 O HIS A 365 11.262 65.177 7.991 1.00 12.01 O ATOM 168 CB HIS A 365 10.132 63.266 9.825 1.00 12.82 C ATOM 169 CG HIS A 365 10.066 62.002 10.617 1.00 11.47 C ATOM 170 ND1 HIS A 365 11.018 61.009 10.513 1.00 13.04 N ATOM 171 CD2 HIS A 365 9.179 61.580 11.547 1.00 12.76 C ATOM 172 CE1 HIS A 365 10.719 60.027 11.346 1.00 12.77 C ATOM 173 NE2 HIS A 365 9.610 60.352 11.989 1.00 13.17 N ATOM 174 H HIS A 365 10.638 64.917 11.988 1.00 0.00 H ATOM 175 N ALA A 366 11.633 66.520 9.766 1.00 12.38 N ATOM 176 CA ALA A 366 11.434 67.747 9.001 1.00 12.41 C ATOM 177 C ALA A 366 12.404 67.870 7.839 1.00 13.03 C ATOM 178 O ALA A 366 12.101 68.552 6.855 1.00 13.12 O ATOM 179 CB ALA A 366 11.549 68.966 9.914 1.00 14.62 C ATOM 180 H ALA A 366 11.943 66.577 10.757 1.00 0.00 H ATOM 181 N ALA A 367 13.575 67.236 7.929 1.00 12.26 N ATOM 182 CA ALA A 367 14.571 67.399 6.876 1.00 13.37 C ATOM 183 C ALA A 367 14.081 66.848 5.544 1.00 13.52 C ATOM 184 O ALA A 367 14.505 67.327 4.487 1.00 14.24 O ATOM 185 CB ALA A 367 15.889 66.735 7.279 1.00 15.33 C ATOM 186 H ALA A 367 13.777 66.627 8.748 1.00 0.00 H ATOM 187 N TYR A 368 13.212 65.836 5.569 1.00 13.15 N ATOM 188 CA TYR A 368 12.646 65.270 4.350 1.00 12.38 C ATOM 189 C TYR A 368 11.134 65.427 4.242 1.00 11.39 C ATOM 190 O TYR A 368 10.592 65.240 3.147 1.00 13.20 O ATOM 191 CB TYR A 368 13.046 63.791 4.172 1.00 13.51 C ATOM 192 CG TYR A 368 13.070 62.998 5.460 1.00 11.82 C ATOM 193 CD1 TYR A 368 11.976 62.239 5.856 1.00 12.66 C ATOM 194 CD2 TYR A 368 14.198 62.998 6.277 1.00 13.20 C ATOM 195 CE1 TYR A 368 11.996 61.514 7.029 1.00 12.63 C ATOM 196 CE2 TYR A 368 14.229 62.276 7.460 1.00 12.73 C ATOM 197 CZ TYR A 368 13.122 61.539 7.831 1.00 12.91 C ATOM 198 OH TYR A 368 13.147 60.815 9.001 1.00 13.66 O ATOM 199 HH TYR A 368 12.282 60.348 9.117 1.00 0.00 H ATOM 200 H TYR A 368 12.929 65.438 6.487 1.00 0.00 H ATOM 201 N ALA A 369 10.440 65.810 5.316 1.00 11.59 N ATOM 202 CA ALA A 369 8.993 65.966 5.251 1.00 11.54 C ATOM 203 C ALA A 369 8.548 67.327 4.731 1.00 10.75 C ATOM 204 O ALA A 369 7.406 67.455 4.270 1.00 10.83 O ATOM 205 CB ALA A 369 8.361 65.740 6.627 1.00 11.98 C ATOM 206 H ALA A 369 10.938 65.999 6.209 1.00 0.00 H ATOM 207 N TRP A 370 9.414 68.345 4.784 1.00 11.16 N ATOM 208 CA TRP A 370 8.958 69.713 4.535 1.00 10.81 C ATOM 209 C TRP A 370 8.273 69.912 3.185 1.00 11.33 C ATOM 210 O TRP A 370 7.320 70.707 3.130 1.00 12.21 O ATOM 211 CB TRP A 370 10.076 70.740 4.802 1.00 12.95 C ATOM 212 CG TRP A 370 11.209 70.665 3.842 1.00 12.30 C ATOM 213 CD1 TRP A 370 12.399 70.024 4.028 1.00 13.85 C ATOM 214 CD2 TRP A 370 11.268 71.251 2.532 1.00 13.00 C ATOM 215 NE1 TRP A 370 13.192 70.163 2.912 1.00 14.61 N ATOM 216 CE2 TRP A 370 12.518 70.905 1.976 1.00 13.46 C ATOM 217 CE3 TRP A 370 10.376 72.014 1.766 1.00 13.92 C ATOM 218 CZ2 TRP A 370 12.906 71.313 0.698 1.00 15.84 C ATOM 219 CZ3 TRP A 370 10.760 72.414 0.498 1.00 15.42 C ATOM 220 CH2 TRP A 370 12.013 72.062 -0.023 1.00 16.30 C ATOM 221 HE1 TRP A 370 14.148 69.769 2.797 1.00 0.00 H ATOM 222 H TRP A 370 10.414 68.164 5.003 1.00 0.00 H ATOM 223 N PRO A 371 8.662 69.254 2.089 1.00 11.17 N ATOM 224 CA PRO A 371 7.941 69.502 0.826 1.00 12.24 C ATOM 225 C PRO A 371 6.482 69.102 0.880 1.00 10.61 C ATOM 226 O PRO A 371 5.695 69.586 0.059 1.00 11.74 O ATOM 227 CB PRO A 371 8.710 68.669 -0.206 1.00 12.30 C ATOM 228 CG PRO A 371 10.062 68.482 0.390 1.00 12.24 C ATOM 229 CD PRO A 371 9.809 68.356 1.875 1.00 11.87 C ATOM 230 N PHE A 372 6.107 68.236 1.815 1.00 10.15 N ATOM 231 CA PHE A 372 4.760 67.692 1.927 1.00 10.19 C ATOM 232 C PHE A 372 3.887 68.455 2.914 1.00 10.03 C ATOM 233 O PHE A 372 2.728 68.079 3.114 1.00 11.15 O ATOM 234 CB PHE A 372 4.852 66.200 2.295 1.00 10.67 C ATOM 235 CG PHE A 372 5.753 65.444 1.362 1.00 10.43 C ATOM 236 CD1 PHE A 372 7.088 65.241 1.679 1.00 11.66 C ATOM 237 CD2 PHE A 372 5.297 65.042 0.111 1.00 11.05 C ATOM 238 CE1 PHE A 372 7.938 64.617 0.790 1.00 12.60 C ATOM 239 CE2 PHE A 372 6.145 64.411 -0.782 1.00 12.29 C ATOM 240 CZ PHE A 372 7.466 64.206 -0.441 1.00 12.76 C ATOM 241 H PHE A 372 6.818 67.928 2.509 1.00 0.00 H ATOM 242 N TYR A 373 4.411 69.511 3.542 1.00 10.89 N ATOM 243 CA TYR A 373 3.672 70.204 4.598 1.00 10.86 C ATOM 244 C TYR A 373 2.434 70.926 4.076 1.00 11.30 C ATOM 245 O TYR A 373 1.429 71.019 4.792 1.00 12.81 O ATOM 246 CB TYR A 373 4.579 71.217 5.284 1.00 11.71 C ATOM 247 CG TYR A 373 5.591 70.653 6.257 1.00 10.89 C ATOM 248 CD1 TYR A 373 5.540 69.337 6.698 1.00 12.31 C ATOM 249 CD2 TYR A 373 6.590 71.469 6.762 1.00 13.19 C ATOM 250 CE1 TYR A 373 6.477 68.855 7.607 1.00 12.78 C ATOM 251 CE2 TYR A 373 7.517 71.003 7.665 1.00 13.96 C ATOM 252 CZ TYR A 373 7.455 69.702 8.094 1.00 12.51 C ATOM 253 OH TYR A 373 8.386 69.239 9.003 1.00 13.84 O ATOM 254 HH TYR A 373 8.202 68.288 9.207 1.00 0.00 H ATOM 255 H TYR A 373 5.359 69.846 3.276 1.00 0.00 H ATOM 256 N LYS A 374 2.504 71.496 2.880 1.00 10.83 N ATOM 257 CA LYS A 374 1.453 72.346 2.335 1.00 11.03 C ATOM 258 C LYS A 374 1.200 71.939 0.892 1.00 11.12 C ATOM 259 O LYS A 374 2.049 71.292 0.273 1.00 11.45 O ATOM 260 CB LYS A 374 1.879 73.824 2.376 1.00 12.86 C ATOM 261 CG LYS A 374 1.994 74.408 3.790 1.00 15.45 C ATOM 262 CD LYS A 374 0.624 74.513 4.448 1.00 18.28 C ATOM 263 CE LYS A 374 0.665 75.262 5.774 1.00 29.59 C ATOM 264 NZ LYS A 374 1.719 74.775 6.698 1.00 33.54 N ATOM 265 HZ1 LYS A 374 1.553 73.771 6.912 1.00 0.00 H ATOM 266 HZ2 LYS A 374 2.650 74.886 6.249 1.00 0.00 H ATOM 267 HZ3 LYS A 374 1.689 75.328 7.578 1.00 0.00 H ATOM 268 H LYS A 374 3.352 71.328 2.302 1.00 0.00 H ATOM 269 N PRO A 375 0.052 72.321 0.323 1.00 11.41 N ATOM 270 CA PRO A 375 -0.208 71.988 -1.083 1.00 11.96 C ATOM 271 C PRO A 375 0.914 72.480 -1.987 1.00 11.82 C ATOM 272 O PRO A 375 1.506 73.536 -1.757 1.00 12.69 O ATOM 273 CB PRO A 375 -1.520 72.723 -1.384 1.00 13.31 C ATOM 274 CG PRO A 375 -2.172 72.881 -0.080 1.00 13.92 C ATOM 275 CD PRO A 375 -1.063 73.077 0.916 1.00 13.31 C ATOM 276 N VAL A 376 1.213 71.707 -3.030 1.00 12.40 N ATOM 277 CA VAL A 376 2.114 72.200 -4.068 1.00 12.89 C ATOM 278 C VAL A 376 1.522 73.482 -4.639 1.00 12.98 C ATOM 279 O VAL A 376 0.384 73.491 -5.123 1.00 13.41 O ATOM 280 CB VAL A 376 2.310 71.145 -5.167 1.00 12.19 C ATOM 281 CG1 VAL A 376 3.141 71.711 -6.321 1.00 14.34 C ATOM 282 CG2 VAL A 376 2.958 69.865 -4.609 1.00 13.02 C ATOM 283 H VAL A 376 0.805 70.753 -3.105 1.00 0.00 H ATOM 284 N ASP A 377 2.288 74.571 -4.584 1.00 13.02 N ATOM 285 CA ASP A 377 1.896 75.823 -5.238 1.00 13.56 C ATOM 286 C ASP A 377 2.556 75.805 -6.607 1.00 13.28 C ATOM 287 O ASP A 377 3.686 76.259 -6.787 1.00 13.76 O ATOM 288 CB ASP A 377 2.316 77.034 -4.413 1.00 15.98 C ATOM 289 CG ASP A 377 1.835 78.353 -5.015 1.00 15.50 C ATOM 290 OD1 ASP A 377 1.483 78.374 -6.214 1.00 17.04 O ATOM 291 OD2 ASP A 377 1.831 79.373 -4.284 1.00 18.63 O ATOM 292 H ASP A 377 3.187 74.532 -4.063 1.00 0.00 H ATOM 293 N ALA A 378 1.834 75.259 -7.586 1.00 14.11 N ATOM 294 CA ALA A 378 2.426 74.990 -8.891 1.00 14.69 C ATOM 295 C ALA A 378 2.884 76.275 -9.561 1.00 16.60 C ATOM 296 O ALA A 378 3.980 76.338 -10.130 1.00 16.86 O ATOM 297 CB ALA A 378 1.410 74.262 -9.770 1.00 17.02 C ATOM 298 H ALA A 378 0.836 75.022 -7.417 1.00 0.00 H ATOM 299 N SER A 379 2.051 77.309 -9.514 1.00 16.68 N ATOM 300 CA SER A 379 2.422 78.564 -10.157 1.00 18.26 C ATOM 301 C SER A 379 3.660 79.176 -9.510 1.00 18.32 C ATOM 302 O SER A 379 4.560 79.649 -10.212 1.00 19.21 O ATOM 303 CB SER A 379 1.240 79.530 -10.150 1.00 20.73 C ATOM 304 OG SER A 379 0.868 79.890 -8.833 1.00 25.10 O ATOM 305 HG SER A 379 0.610 79.077 -8.330 1.00 0.00 H ATOM 306 H SER A 379 1.139 77.224 -9.021 1.00 0.00 H ATOM 307 N ALA A 380 3.741 79.151 -8.174 1.00 15.95 N ATOM 308 CA ALA A 380 4.923 79.689 -7.503 1.00 16.42 C ATOM 309 C ALA A 380 6.192 78.975 -7.941 1.00 17.28 C ATOM 310 O ALA A 380 7.256 79.601 -8.037 1.00 18.02 O ATOM 311 CB ALA A 380 4.762 79.624 -5.982 1.00 18.78 C ATOM 312 H ALA A 380 2.963 78.749 -7.613 1.00 0.00 H ATOM 313 N LEU A 381 6.104 77.673 -8.216 1.00 14.73 N ATOM 314 CA LEU A 381 7.251 76.872 -8.616 1.00 14.83 C ATOM 315 C LEU A 381 7.466 76.846 -10.124 1.00 13.88 C ATOM 316 O LEU A 381 8.414 76.210 -10.589 1.00 16.75 O ATOM 317 CB LEU A 381 7.097 75.442 -8.079 1.00 14.88 C ATOM 318 CG LEU A 381 7.076 75.347 -6.548 1.00 15.63 C ATOM 319 CD1 LEU A 381 6.728 73.936 -6.096 1.00 16.54 C ATOM 320 CD2 LEU A 381 8.409 75.782 -5.970 1.00 20.22 C ATOM 321 H LEU A 381 5.176 77.210 -8.141 1.00 0.00 H ATOM 322 N GLY A 382 6.617 77.521 -10.898 1.00 15.09 N ATOM 323 CA GLY A 382 6.729 77.463 -12.344 1.00 16.19 C ATOM 324 C GLY A 382 6.306 76.151 -12.963 1.00 15.38 C ATOM 325 O GLY A 382 6.678 75.863 -14.103 1.00 16.48 O ATOM 326 H GLY A 382 5.867 78.095 -10.462 1.00 0.00 H ATOM 327 N LEU A 383 5.544 75.334 -12.235 1.00 13.81 N ATOM 328 CA LEU A 383 5.165 73.996 -12.691 1.00 13.36 C ATOM 329 C LEU A 383 3.789 74.052 -13.353 1.00 12.68 C ATOM 330 O LEU A 383 2.777 73.589 -12.829 1.00 13.44 O ATOM 331 CB LEU A 383 5.202 73.016 -11.521 1.00 15.08 C ATOM 332 CG LEU A 383 6.504 73.023 -10.721 1.00 14.80 C ATOM 333 CD1 LEU A 383 6.406 72.055 -9.539 1.00 15.85 C ATOM 334 CD2 LEU A 383 7.689 72.676 -11.597 1.00 18.23 C ATOM 335 H LEU A 383 5.206 75.660 -11.307 1.00 0.00 H ATOM 336 N HIS A 384 3.778 74.628 -14.556 1.00 12.75 N ATOM 337 CA HIS A 384 2.518 74.963 -15.204 1.00 12.83 C ATOM 338 C HIS A 384 1.783 73.763 -15.767 1.00 12.50 C ATOM 339 O HIS A 384 0.667 73.926 -16.273 1.00 13.40 O ATOM 340 CB HIS A 384 2.773 76.018 -16.274 1.00 13.22 C ATOM 341 CG HIS A 384 3.394 77.262 -15.724 1.00 13.00 C ATOM 342 ND1 HIS A 384 2.795 78.012 -14.736 1.00 16.21 N ATOM 343 CD2 HIS A 384 4.589 77.842 -15.970 1.00 14.22 C ATOM 344 CE1 HIS A 384 3.582 79.028 -14.425 1.00 15.46 C ATOM 345 NE2 HIS A 384 4.676 78.948 -15.158 1.00 15.69 N ATOM 346 H HIS A 384 4.677 74.839 -15.035 1.00 0.00 H ATOM 347 N ASP A 385 2.371 72.571 -15.680 1.00 11.41 N ATOM 348 CA ASP A 385 1.712 71.326 -16.057 1.00 11.72 C ATOM 349 C ASP A 385 1.248 70.500 -14.861 1.00 13.06 C ATOM 350 O ASP A 385 0.641 69.444 -15.061 1.00 12.44 O ATOM 351 CB ASP A 385 2.629 70.477 -16.950 1.00 12.07 C ATOM 352 CG ASP A 385 3.982 70.210 -16.320 1.00 12.36 C ATOM 353 OD1 ASP A 385 4.279 70.816 -15.265 1.00 12.41 O ATOM 354 OD2 ASP A 385 4.742 69.401 -16.891 1.00 13.75 O ATOM 355 H ASP A 385 3.348 72.526 -15.326 1.00 0.00 H ATOM 356 N TYR A 386 1.514 70.949 -13.631 1.00 11.61 N ATOM 357 CA TYR A 386 1.257 70.119 -12.455 1.00 11.58 C ATOM 358 C TYR A 386 -0.205 69.692 -12.384 1.00 11.49 C ATOM 359 O TYR A 386 -0.512 68.512 -12.163 1.00 11.77 O ATOM 360 CB TYR A 386 1.687 70.861 -11.184 1.00 11.62 C ATOM 361 CG TYR A 386 1.598 69.990 -9.959 1.00 11.64 C ATOM 362 CD1 TYR A 386 2.645 69.142 -9.622 1.00 10.85 C ATOM 363 CD2 TYR A 386 0.463 69.986 -9.162 1.00 12.18 C ATOM 364 CE1 TYR A 386 2.572 68.306 -8.511 1.00 11.50 C ATOM 365 CE2 TYR A 386 0.375 69.156 -8.046 1.00 11.10 C ATOM 366 CZ TYR A 386 1.427 68.320 -7.732 1.00 10.81 C ATOM 367 OH TYR A 386 1.319 67.498 -6.632 1.00 12.01 O ATOM 368 HH TYR A 386 2.147 66.963 -6.539 1.00 0.00 H ATOM 369 H TYR A 386 1.910 71.903 -13.508 1.00 0.00 H ATOM 370 N HIS A 387 -1.126 70.637 -12.562 1.00 11.85 N ATOM 371 CA HIS A 387 -2.536 70.319 -12.397 1.00 12.82 C ATOM 372 C HIS A 387 -3.151 69.638 -13.610 1.00 13.74 C ATOM 373 O HIS A 387 -4.280 69.141 -13.514 1.00 16.29 O ATOM 374 CB HIS A 387 -3.320 71.553 -11.950 1.00 13.70 C ATOM 375 CG HIS A 387 -2.956 72.001 -10.572 1.00 13.19 C ATOM 376 ND1 HIS A 387 -3.318 71.291 -9.447 1.00 14.84 N ATOM 377 CD2 HIS A 387 -2.224 73.053 -10.138 1.00 14.77 C ATOM 378 CE1 HIS A 387 -2.838 71.898 -8.376 1.00 14.58 C ATOM 379 NE2 HIS A 387 -2.175 72.973 -8.766 1.00 14.94 N ATOM 380 H HIS A 387 -0.837 71.603 -12.819 1.00 0.00 H ATOM 381 N ASP A 388 -2.430 69.566 -14.728 1.00 12.45 N ATOM 382 CA ASP A 388 -2.856 68.702 -15.818 1.00 12.61 C ATOM 383 C ASP A 388 -2.476 67.254 -15.546 1.00 13.92 C ATOM 384 O ASP A 388 -3.147 66.334 -16.025 1.00 16.34 O ATOM 385 CB ASP A 388 -2.221 69.164 -17.128 1.00 13.14 C ATOM 386 CG ASP A 388 -2.625 70.572 -17.496 1.00 13.60 C ATOM 387 OD1 ASP A 388 -3.787 70.756 -17.928 1.00 15.24 O ATOM 388 OD2 ASP A 388 -1.796 71.489 -17.321 1.00 13.21 O ATOM 389 H ASP A 388 -1.561 70.129 -14.822 1.00 0.00 H ATOM 390 N ILE A 389 -1.411 67.044 -14.784 1.00 12.55 N ATOM 391 CA ILE A 389 -0.891 65.710 -14.518 1.00 13.14 C ATOM 392 C ILE A 389 -1.450 65.135 -13.220 1.00 12.02 C ATOM 393 O ILE A 389 -1.695 63.924 -13.141 1.00 13.51 O ATOM 394 CB ILE A 389 0.645 65.771 -14.509 1.00 12.79 C ATOM 395 CG1 ILE A 389 1.150 66.082 -15.918 1.00 14.68 C ATOM 396 CG2 ILE A 389 1.253 64.479 -13.949 1.00 14.31 C ATOM 397 CD1 ILE A 389 2.595 66.501 -15.971 1.00 15.09 C ATOM 398 H ILE A 389 -0.929 67.863 -14.361 1.00 0.00 H ATOM 399 N ILE A 390 -1.666 65.975 -12.213 1.00 11.90 N ATOM 400 CA ILE A 390 -2.122 65.560 -10.890 1.00 12.72 C ATOM 401 C ILE A 390 -3.585 65.961 -10.756 1.00 12.67 C ATOM 402 O ILE A 390 -3.903 67.146 -10.581 1.00 15.94 O ATOM 403 CB ILE A 390 -1.268 66.191 -9.784 1.00 11.66 C ATOM 404 CG1 ILE A 390 0.199 65.767 -9.924 1.00 12.36 C ATOM 405 CG2 ILE A 390 -1.840 65.866 -8.409 1.00 12.24 C ATOM 406 CD1 ILE A 390 0.427 64.257 -9.984 1.00 11.99 C ATOM 407 H ILE A 390 -1.500 66.988 -12.377 1.00 0.00 H ATOM 408 N LYS A 391 -4.483 64.975 -10.828 1.00 13.20 N ATOM 409 CA LYS A 391 -5.913 65.255 -10.765 1.00 16.02 C ATOM 410 C LYS A 391 -6.396 65.504 -9.342 1.00 14.71 C ATOM 411 O LYS A 391 -7.369 66.240 -9.146 1.00 15.35 O ATOM 412 CB LYS A 391 -6.694 64.088 -11.370 1.00 21.76 C ATOM 413 H LYS A 391 -4.158 63.993 -10.931 1.00 0.00 H ATOM 414 N HIS A 392 -5.750 64.899 -8.346 1.00 13.23 N ATOM 415 CA HIS A 392 -6.194 64.964 -6.955 1.00 13.13 C ATOM 416 C HIS A 392 -5.011 65.307 -6.065 1.00 12.26 C ATOM 417 O HIS A 392 -4.395 64.415 -5.459 1.00 12.35 O ATOM 418 CB HIS A 392 -6.846 63.650 -6.525 1.00 15.41 C ATOM 419 CG HIS A 392 -8.079 63.318 -7.301 1.00 18.72 C ATOM 420 ND1 HIS A 392 -8.143 62.264 -8.188 1.00 25.05 N ATOM 421 CD2 HIS A 392 -9.288 63.923 -7.345 1.00 21.80 C ATOM 422 CE1 HIS A 392 -9.347 62.224 -8.731 1.00 23.53 C ATOM 423 NE2 HIS A 392 -10.060 63.220 -8.237 1.00 26.96 N ATOM 424 H HIS A 392 -4.891 64.356 -8.568 1.00 0.00 H ATOM 425 N PRO A 393 -4.679 66.594 -5.946 1.00 11.56 N ATOM 426 CA PRO A 393 -3.570 66.998 -5.074 1.00 11.53 C ATOM 427 C PRO A 393 -3.826 66.605 -3.627 1.00 12.34 C ATOM 428 O PRO A 393 -4.964 66.540 -3.165 1.00 13.22 O ATOM 429 CB PRO A 393 -3.538 68.526 -5.231 1.00 13.41 C ATOM 430 CG PRO A 393 -4.177 68.780 -6.550 1.00 13.46 C ATOM 431 CD PRO A 393 -5.262 67.745 -6.659 1.00 13.39 C ATOM 432 N MET A 394 -2.743 66.353 -2.899 1.00 11.22 N ATOM 433 CA MET A 394 -2.856 66.050 -1.480 1.00 10.75 C ATOM 434 C MET A 394 -1.559 66.449 -0.793 1.00 10.03 C ATOM 435 O MET A 394 -0.491 66.447 -1.412 1.00 11.55 O ATOM 436 CB MET A 394 -3.172 64.560 -1.272 1.00 11.32 C ATOM 437 CG MET A 394 -3.492 64.146 0.168 1.00 11.85 C ATOM 438 SD MET A 394 -4.767 65.111 1.006 1.00 13.17 S ATOM 439 CE MET A 394 -6.171 64.987 -0.114 1.00 14.78 C ATOM 440 H MET A 394 -1.805 66.373 -3.348 1.00 0.00 H ATOM 441 N ASP A 395 -1.659 66.782 0.494 1.00 10.37 N ATOM 442 CA ASP A 395 -0.518 67.219 1.290 1.00 10.59 C ATOM 443 C ASP A 395 -0.892 67.050 2.755 1.00 10.26 C ATOM 444 O ASP A 395 -2.061 66.846 3.094 1.00 10.75 O ATOM 445 CB ASP A 395 -0.173 68.683 1.028 1.00 11.68 C ATOM 446 CG ASP A 395 -1.209 69.602 1.589 1.00 11.85 C ATOM 447 OD1 ASP A 395 -2.289 69.706 0.965 1.00 12.74 O ATOM 448 OD2 ASP A 395 -0.964 70.161 2.679 1.00 12.95 O ATOM 449 H ASP A 395 -2.592 66.728 0.950 1.00 0.00 H ATOM 450 N LEU A 396 0.115 67.152 3.632 1.00 10.26 N ATOM 451 CA LEU A 396 -0.113 66.864 5.048 1.00 10.58 C ATOM 452 C LEU A 396 -1.035 67.874 5.721 1.00 10.37 C ATOM 453 O LEU A 396 -1.746 67.510 6.663 1.00 11.57 O ATOM 454 CB LEU A 396 1.206 66.757 5.808 1.00 10.82 C ATOM 455 CG LEU A 396 2.080 65.562 5.412 1.00 11.84 C ATOM 456 CD1 LEU A 396 3.481 65.643 6.049 1.00 13.17 C ATOM 457 CD2 LEU A 396 1.384 64.236 5.742 1.00 14.76 C ATOM 458 H LEU A 396 1.061 67.436 3.306 1.00 0.00 H ATOM 459 N SER A 397 -1.023 69.146 5.296 1.00 10.54 N ATOM 460 CA SER A 397 -1.931 70.105 5.932 1.00 11.03 C ATOM 461 C SER A 397 -3.383 69.782 5.615 1.00 12.41 C ATOM 462 O SER A 397 -4.276 70.022 6.440 1.00 12.28 O ATOM 463 CB SER A 397 -1.598 71.544 5.524 1.00 13.48 C ATOM 464 OG SER A 397 -2.067 71.838 4.213 1.00 16.26 O ATOM 465 HG SER A 397 -1.641 71.222 3.565 1.00 0.00 H ATOM 466 H SER A 397 -0.384 69.445 4.532 1.00 0.00 H ATOM 467 N THR A 398 -3.639 69.242 4.428 1.00 11.73 N ATOM 468 CA THR A 398 -4.990 68.842 4.062 1.00 12.60 C ATOM 469 C THR A 398 -5.406 67.597 4.830 1.00 11.34 C ATOM 470 O THR A 398 -6.534 67.513 5.330 1.00 12.47 O ATOM 471 CB THR A 398 -5.059 68.624 2.549 1.00 12.88 C ATOM 472 OG1 THR A 398 -4.728 69.849 1.877 1.00 14.90 O ATOM 473 CG2 THR A 398 -6.447 68.178 2.119 1.00 14.95 C ATOM 474 HG1 THR A 398 -3.812 70.126 2.131 1.00 0.00 H ATOM 475 H THR A 398 -2.862 69.103 3.750 1.00 0.00 H ATOM 476 N VAL A 399 -4.500 66.626 4.957 1.00 10.73 N ATOM 477 CA VAL A 399 -4.794 65.464 5.794 1.00 11.13 C ATOM 478 C VAL A 399 -5.119 65.909 7.214 1.00 10.73 C ATOM 479 O VAL A 399 -6.056 65.401 7.850 1.00 10.98 O ATOM 480 CB VAL A 399 -3.623 64.462 5.767 1.00 10.69 C ATOM 481 CG1 VAL A 399 -3.878 63.286 6.723 1.00 12.46 C ATOM 482 CG2 VAL A 399 -3.386 63.934 4.360 1.00 12.02 C ATOM 483 H VAL A 399 -3.588 66.695 4.462 1.00 0.00 H ATOM 484 N LYS A 400 -4.333 66.847 7.745 1.00 11.23 N ATOM 485 CA LYS A 400 -4.557 67.330 9.105 1.00 12.01 C ATOM 486 C LYS A 400 -5.912 68.015 9.238 1.00 12.41 C ATOM 487 O LYS A 400 -6.638 67.790 10.215 1.00 12.72 O ATOM 488 CB LYS A 400 -3.433 68.286 9.495 1.00 12.69 C ATOM 489 CG LYS A 400 -3.567 68.876 10.888 1.00 15.29 C ATOM 490 CD LYS A 400 -2.388 69.789 11.194 1.00 23.21 C ATOM 491 CE LYS A 400 -2.485 70.404 12.580 1.00 30.94 C ATOM 492 NZ LYS A 400 -2.097 69.436 13.646 1.00 34.39 N ATOM 493 HZ1 LYS A 400 -2.729 68.611 13.610 1.00 0.00 H ATOM 494 HZ2 LYS A 400 -1.115 69.129 13.493 1.00 0.00 H ATOM 495 HZ3 LYS A 400 -2.177 69.895 14.576 1.00 0.00 H ATOM 496 H LYS A 400 -3.551 67.239 7.183 1.00 0.00 H ATOM 497 N ARG A 401 -6.259 68.880 8.285 1.00 12.01 N ATOM 498 CA ARG A 401 -7.571 69.520 8.324 1.00 14.18 C ATOM 499 C ARG A 401 -8.686 68.485 8.294 1.00 13.55 C ATOM 500 O ARG A 401 -9.676 68.598 9.033 1.00 13.51 O ATOM 501 CB ARG A 401 -7.709 70.495 7.154 1.00 14.45 C ATOM 502 CG ARG A 401 -9.109 71.090 6.991 1.00 19.20 C ATOM 503 CD ARG A 401 -9.948 70.303 5.979 1.00 27.53 C ATOM 504 NE ARG A 401 -9.480 70.471 4.602 1.00 27.23 N ATOM 505 CZ ARG A 401 -10.070 69.930 3.540 1.00 27.30 C ATOM 506 NH1 ARG A 401 -11.150 69.180 3.688 1.00 28.09 N ATOM 507 NH2 ARG A 401 -9.582 70.139 2.324 1.00 31.22 N ATOM 508 HE ARG A 401 -8.631 71.051 4.444 1.00 0.00 H ATOM 509 HH12 ARG A 401 -11.609 68.759 2.855 1.00 0.00 H ATOM 510 HH11 ARG A 401 -11.540 69.012 4.637 1.00 0.00 H ATOM 511 HH22 ARG A 401 -10.047 69.714 1.497 1.00 0.00 H ATOM 512 HH21 ARG A 401 -8.734 70.728 2.198 1.00 0.00 H ATOM 513 H ARG A 401 -5.596 69.099 7.514 1.00 0.00 H ATOM 514 N LYS A 402 -8.546 67.466 7.446 1.00 12.63 N ATOM 515 CA LYS A 402 -9.571 66.435 7.366 1.00 12.71 C ATOM 516 C LYS A 402 -9.684 65.673 8.680 1.00 13.68 C ATOM 517 O LYS A 402 -10.796 65.407 9.159 1.00 14.39 O ATOM 518 CB LYS A 402 -9.288 65.509 6.183 1.00 13.27 C ATOM 519 CG LYS A 402 -9.509 66.214 4.849 1.00 13.77 C ATOM 520 CD LYS A 402 -9.141 65.364 3.642 1.00 14.43 C ATOM 521 CE LYS A 402 -10.163 64.294 3.384 1.00 16.59 C ATOM 522 NZ LYS A 402 -9.957 63.632 2.061 1.00 15.68 N ATOM 523 HZ1 LYS A 402 -10.030 64.342 1.304 1.00 0.00 H ATOM 524 HZ2 LYS A 402 -9.014 63.194 2.037 1.00 0.00 H ATOM 525 HZ3 LYS A 402 -10.684 62.901 1.924 1.00 0.00 H ATOM 526 H LYS A 402 -7.703 67.407 6.840 1.00 0.00 H ATOM 527 N MET A 403 -8.547 65.331 9.293 1.00 11.84 N ATOM 528 CA MET A 403 -8.577 64.649 10.582 1.00 12.42 C ATOM 529 C MET A 403 -9.235 65.520 11.645 1.00 13.14 C ATOM 530 O MET A 403 -10.085 65.049 12.413 1.00 14.39 O ATOM 531 CB MET A 403 -7.156 64.277 10.999 1.00 12.76 C ATOM 532 CG MET A 403 -7.080 63.452 12.280 1.00 14.92 C ATOM 533 SD MET A 403 -7.775 61.789 12.147 1.00 16.35 S ATOM 534 CE MET A 403 -6.514 60.999 11.160 1.00 16.47 C ATOM 535 H MET A 403 -7.634 65.553 8.848 1.00 0.00 H ATOM 536 N GLU A 404 -8.850 66.796 11.710 1.00 13.09 N ATOM 537 CA GLU A 404 -9.433 67.702 12.698 1.00 14.94 C ATOM 538 C GLU A 404 -10.938 67.837 12.517 1.00 16.03 C ATOM 539 O GLU A 404 -11.671 68.024 13.499 1.00 17.73 O ATOM 540 CB GLU A 404 -8.769 69.079 12.604 1.00 17.30 C ATOM 541 CG GLU A 404 -7.343 69.109 13.128 1.00 18.39 C ATOM 542 CD GLU A 404 -6.595 70.382 12.755 1.00 21.23 C ATOM 543 OE1 GLU A 404 -7.150 71.220 12.010 1.00 23.23 O ATOM 544 OE2 GLU A 404 -5.438 70.532 13.197 1.00 21.73 O ATOM 545 H GLU A 404 -8.128 67.150 11.051 1.00 0.00 H ATOM 546 N ASN A 405 -11.415 67.772 11.282 1.00 13.54 N ATOM 547 CA ASN A 405 -12.833 67.897 10.983 1.00 15.60 C ATOM 548 C ASN A 405 -13.567 66.568 11.034 1.00 13.68 C ATOM 549 O ASN A 405 -14.752 66.518 10.695 1.00 14.63 O ATOM 550 CB ASN A 405 -13.033 68.523 9.600 1.00 16.92 C ATOM 551 CG ASN A 405 -12.564 69.958 9.530 1.00 22.33 C ATOM 552 OD1 ASN A 405 -12.370 70.612 10.550 1.00 26.95 O ATOM 553 ND2 ASN A 405 -12.371 70.455 8.313 1.00 25.78 N ATOM 554 HD22 ASN A 405 -12.548 69.864 7.476 1.00 0.00 H ATOM 555 HD21 ASN A 405 -12.043 71.435 8.198 1.00 0.00 H ATOM 556 H ASN A 405 -10.750 67.626 10.496 1.00 0.00 H ATOM 557 N ARG A 406 -12.896 65.492 11.434 1.00 13.38 N ATOM 558 CA ARG A 406 -13.507 64.164 11.514 1.00 14.15 C ATOM 559 C ARG A 406 -14.037 63.698 10.161 1.00 13.79 C ATOM 560 O ARG A 406 -15.042 62.984 10.077 1.00 14.84 O ATOM 561 CB ARG A 406 -14.574 64.074 12.610 1.00 15.81 C ATOM 562 CG ARG A 406 -14.103 64.562 13.966 1.00 21.27 C ATOM 563 CD ARG A 406 -12.925 63.774 14.498 1.00 26.80 C ATOM 564 NE ARG A 406 -12.579 64.223 15.845 1.00 30.15 N ATOM 565 CZ ARG A 406 -11.451 64.848 16.172 1.00 30.14 C ATOM 566 NH1 ARG A 406 -10.520 65.083 15.254 1.00 25.59 N ATOM 567 NH2 ARG A 406 -11.246 65.222 17.429 1.00 32.00 N ATOM 568 HE ARG A 406 -13.266 64.040 16.604 1.00 0.00 H ATOM 569 HH12 ARG A 406 -9.641 65.572 15.518 1.00 0.00 H ATOM 570 HH11 ARG A 406 -10.670 64.778 14.271 1.00 0.00 H ATOM 571 HH22 ARG A 406 -10.366 65.711 17.689 1.00 0.00 H ATOM 572 HH21 ARG A 406 -11.966 65.026 18.154 1.00 0.00 H ATOM 573 H ARG A 406 -11.896 65.598 11.701 1.00 0.00 H ATOM 574 N ASP A 407 -13.331 64.077 9.102 1.00 13.45 N ATOM 575 CA ASP A 407 -13.711 63.695 7.746 1.00 12.94 C ATOM 576 C ASP A 407 -13.478 62.205 7.504 1.00 13.78 C ATOM 577 O ASP A 407 -14.287 61.546 6.840 1.00 14.96 O ATOM 578 CB ASP A 407 -12.897 64.545 6.762 1.00 14.38 C ATOM 579 CG ASP A 407 -13.506 64.628 5.374 1.00 18.08 C ATOM 580 OD1 ASP A 407 -13.327 65.684 4.721 1.00 18.30 O ATOM 581 OD2 ASP A 407 -14.154 63.663 4.931 1.00 27.61 O ATOM 582 H ASP A 407 -12.483 64.663 9.243 1.00 0.00 H ATOM 583 N TYR A 408 -12.401 61.638 8.051 1.00 13.56 N ATOM 584 CA TYR A 408 -12.077 60.245 7.743 1.00 14.32 C ATOM 585 C TYR A 408 -13.050 59.267 8.407 1.00 15.63 C ATOM 586 O TYR A 408 -13.287 59.328 9.618 1.00 19.32 O ATOM 587 CB TYR A 408 -10.625 59.923 8.117 1.00 13.84 C ATOM 588 CG TYR A 408 -9.630 60.685 7.268 1.00 12.26 C ATOM 589 CD1 TYR A 408 -9.566 60.487 5.893 1.00 12.93 C ATOM 590 CD2 TYR A 408 -8.766 61.612 7.831 1.00 12.91 C ATOM 591 CE1 TYR A 408 -8.672 61.194 5.103 1.00 12.63 C ATOM 592 CE2 TYR A 408 -7.866 62.316 7.052 1.00 13.12 C ATOM 593 CZ TYR A 408 -7.824 62.108 5.691 1.00 11.85 C ATOM 594 OH TYR A 408 -6.928 62.804 4.914 1.00 13.26 O ATOM 595 HH TYR A 408 -7.034 62.533 3.968 1.00 0.00 H ATOM 596 H TYR A 408 -11.794 62.185 8.694 1.00 0.00 H ATOM 597 N ARG A 409 -13.601 58.351 7.605 1.00 14.86 N ATOM 598 CA ARG A 409 -14.475 57.302 8.133 1.00 19.16 C ATOM 599 C ARG A 409 -13.682 56.291 8.949 1.00 15.29 C ATOM 600 O ARG A 409 -14.161 55.790 9.975 1.00 16.08 O ATOM 601 CB ARG A 409 -15.160 56.576 6.969 1.00 21.28 C ATOM 602 CG ARG A 409 -15.865 55.263 7.347 1.00 23.83 C ATOM 603 CD ARG A 409 -16.027 54.354 6.126 1.00 26.62 C ATOM 604 NE ARG A 409 -17.080 53.347 6.283 1.00 30.20 N ATOM 605 CZ ARG A 409 -16.870 52.047 6.478 1.00 30.14 C ATOM 606 NH1 ARG A 409 -17.905 51.225 6.593 1.00 27.89 N ATOM 607 NH2 ARG A 409 -15.637 51.566 6.547 1.00 29.94 N ATOM 608 HE ARG A 409 -18.067 53.673 6.239 1.00 0.00 H ATOM 609 HH12 ARG A 409 -17.747 50.208 6.745 1.00 0.00 H ATOM 610 HH11 ARG A 409 -18.874 51.597 6.531 1.00 0.00 H ATOM 611 HH22 ARG A 409 -15.483 50.549 6.700 1.00 0.00 H ATOM 612 HH21 ARG A 409 -14.823 52.206 6.449 1.00 0.00 H ATOM 613 H ARG A 409 -13.405 58.384 6.584 1.00 0.00 H ATOM 614 N ASP A 410 -12.473 55.970 8.500 1.00 13.76 N ATOM 615 CA ASP A 410 -11.693 54.888 9.086 1.00 14.23 C ATOM 616 C ASP A 410 -10.232 55.062 8.686 1.00 11.97 C ATOM 617 O ASP A 410 -9.873 55.963 7.918 1.00 13.00 O ATOM 618 CB ASP A 410 -12.258 53.514 8.696 1.00 15.09 C ATOM 619 CG ASP A 410 -12.380 53.313 7.186 1.00 17.72 C ATOM 620 OD1 ASP A 410 -11.698 53.993 6.387 1.00 15.75 O ATOM 621 OD2 ASP A 410 -13.185 52.439 6.794 1.00 23.52 O ATOM 622 H ASP A 410 -12.071 56.508 7.706 1.00 0.00 H ATOM 623 N ALA A 411 -9.384 54.188 9.229 1.00 12.91 N ATOM 624 CA ALA A 411 -7.951 54.293 8.971 1.00 12.14 C ATOM 625 C ALA A 411 -7.621 54.084 7.503 1.00 12.27 C ATOM 626 O ALA A 411 -6.682 54.696 6.985 1.00 11.95 O ATOM 627 CB ALA A 411 -7.197 53.276 9.822 1.00 13.34 C ATOM 628 H ALA A 411 -9.745 53.428 9.840 1.00 0.00 H ATOM 629 N GLN A 412 -8.377 53.213 6.836 1.00 12.26 N ATOM 630 CA GLN A 412 -8.142 52.919 5.399 1.00 12.61 C ATOM 631 C GLN A 412 -8.274 54.210 4.581 1.00 11.72 C ATOM 632 O GLN A 412 -7.466 54.419 3.669 1.00 11.54 O ATOM 633 CB GLN A 412 -9.139 51.864 4.915 1.00 14.04 C ATOM 634 CG GLN A 412 -8.927 50.480 5.514 1.00 20.73 C ATOM 635 CD GLN A 412 -9.207 50.365 6.995 1.00 24.77 C ATOM 636 OE1 GLN A 412 -10.057 51.048 7.554 1.00 19.62 O ATOM 637 NE2 GLN A 412 -8.478 49.477 7.646 1.00 32.55 N ATOM 638 HE22 GLN A 412 -7.766 48.915 7.137 1.00 0.00 H ATOM 639 HE21 GLN A 412 -8.616 49.339 8.668 1.00 0.00 H ATOM 640 H GLN A 412 -9.150 52.727 7.333 1.00 0.00 H ATOM 641 N GLU A 413 -9.260 55.046 4.902 1.00 11.85 N ATOM 642 CA GLU A 413 -9.462 56.277 4.148 1.00 11.76 C ATOM 643 C GLU A 413 -8.312 57.253 4.381 1.00 11.72 C ATOM 644 O GLU A 413 -7.841 57.913 3.449 1.00 12.20 O ATOM 645 CB GLU A 413 -10.807 56.912 4.519 1.00 13.63 C ATOM 646 CG GLU A 413 -11.238 58.008 3.555 1.00 14.84 C ATOM 647 CD GLU A 413 -12.466 58.785 4.010 1.00 14.44 C ATOM 648 OE1 GLU A 413 -13.211 58.314 4.895 1.00 16.47 O ATOM 649 OE2 GLU A 413 -12.681 59.888 3.471 1.00 18.73 O ATOM 650 H GLU A 413 -9.891 54.819 5.697 1.00 0.00 H ATOM 651 N PHE A 414 -7.857 57.363 5.627 1.00 10.88 N ATOM 652 CA PHE A 414 -6.684 58.172 5.943 1.00 10.55 C ATOM 653 C PHE A 414 -5.462 57.687 5.175 1.00 10.36 C ATOM 654 O PHE A 414 -4.750 58.478 4.545 1.00 10.82 O ATOM 655 CB PHE A 414 -6.457 58.098 7.454 1.00 12.02 C ATOM 656 CG PHE A 414 -5.094 58.552 7.913 1.00 10.74 C ATOM 657 CD1 PHE A 414 -4.846 59.886 8.193 1.00 12.16 C ATOM 658 CD2 PHE A 414 -4.077 57.638 8.114 1.00 12.28 C ATOM 659 CE1 PHE A 414 -3.602 60.292 8.645 1.00 13.09 C ATOM 660 CE2 PHE A 414 -2.843 58.053 8.566 1.00 13.59 C ATOM 661 CZ PHE A 414 -2.606 59.371 8.832 1.00 14.68 C ATOM 662 H PHE A 414 -8.349 56.861 6.393 1.00 0.00 H ATOM 663 N ALA A 415 -5.215 56.375 5.201 1.00 10.26 N ATOM 664 CA ALA A 415 -4.031 55.831 4.548 1.00 10.69 C ATOM 665 C ALA A 415 -4.069 56.083 3.049 1.00 10.47 C ATOM 666 O ALA A 415 -3.039 56.377 2.432 1.00 10.52 O ATOM 667 CB ALA A 415 -3.921 54.331 4.830 1.00 12.03 C ATOM 668 H ALA A 415 -5.873 55.736 5.691 1.00 0.00 H ATOM 669 N ALA A 416 -5.254 55.994 2.445 1.00 10.89 N ATOM 670 CA ALA A 416 -5.359 56.241 1.012 1.00 11.96 C ATOM 671 C ALA A 416 -4.945 57.667 0.666 1.00 11.13 C ATOM 672 O ALA A 416 -4.304 57.895 -0.362 1.00 11.26 O ATOM 673 CB ALA A 416 -6.776 55.942 0.520 1.00 12.06 C ATOM 674 H ALA A 416 -6.102 55.749 2.995 1.00 0.00 H ATOM 675 N ASP A 417 -5.304 58.644 1.506 1.00 10.78 N ATOM 676 CA ASP A 417 -4.895 60.027 1.259 1.00 10.36 C ATOM 677 C ASP A 417 -3.390 60.217 1.423 1.00 9.72 C ATOM 678 O ASP A 417 -2.757 60.916 0.622 1.00 10.38 O ATOM 679 CB ASP A 417 -5.625 60.984 2.207 1.00 11.91 C ATOM 680 CG ASP A 417 -6.815 61.672 1.571 1.00 14.11 C ATOM 681 OD1 ASP A 417 -7.084 61.459 0.366 1.00 15.18 O ATOM 682 OD2 ASP A 417 -7.477 62.452 2.293 1.00 14.49 O ATOM 683 H ASP A 417 -5.879 58.419 2.343 1.00 0.00 H ATOM 684 N VAL A 418 -2.801 59.651 2.480 1.00 10.07 N ATOM 685 CA VAL A 418 -1.360 59.795 2.654 1.00 10.28 C ATOM 686 C VAL A 418 -0.631 59.179 1.470 1.00 9.85 C ATOM 687 O VAL A 418 0.325 59.755 0.930 1.00 10.18 O ATOM 688 CB VAL A 418 -0.911 59.175 3.990 1.00 11.33 C ATOM 689 CG1 VAL A 418 0.604 59.193 4.098 1.00 12.99 C ATOM 690 CG2 VAL A 418 -1.542 59.912 5.149 1.00 11.58 C ATOM 691 H VAL A 418 -3.363 59.114 3.171 1.00 0.00 H ATOM 692 N ARG A 419 -1.089 58.007 1.026 1.00 9.85 N ATOM 693 CA ARG A 419 -0.444 57.346 -0.100 1.00 9.96 C ATOM 694 C ARG A 419 -0.679 58.099 -1.404 1.00 10.41 C ATOM 695 O ARG A 419 0.204 58.111 -2.271 1.00 11.02 O ATOM 696 CB ARG A 419 -0.911 55.896 -0.191 1.00 10.49 C ATOM 697 CG ARG A 419 -0.370 55.044 0.942 1.00 11.04 C ATOM 698 CD ARG A 419 -1.185 53.789 1.124 1.00 12.73 C ATOM 699 NE ARG A 419 -0.577 52.898 2.104 1.00 11.39 N ATOM 700 CZ ARG A 419 -1.235 51.932 2.731 1.00 11.80 C ATOM 701 NH1 ARG A 419 -2.519 51.727 2.465 1.00 12.26 N ATOM 702 NH2 ARG A 419 -0.605 51.161 3.610 1.00 13.88 N ATOM 703 HE ARG A 419 0.431 53.027 2.324 1.00 0.00 H ATOM 704 HH12 ARG A 419 -3.037 50.970 2.955 1.00 0.00 H ATOM 705 HH11 ARG A 419 -3.007 52.323 1.766 1.00 0.00 H ATOM 706 HH22 ARG A 419 -1.121 50.404 4.101 1.00 0.00 H ATOM 707 HH21 ARG A 419 0.405 51.315 3.807 1.00 0.00 H ATOM 708 H ARG A 419 -1.910 57.564 1.486 1.00 0.00 H ATOM 709 N LEU A 420 -1.850 58.728 -1.563 1.00 9.64 N ATOM 710 CA LEU A 420 -2.101 59.583 -2.722 1.00 10.65 C ATOM 711 C LEU A 420 -1.091 60.718 -2.793 1.00 10.11 C ATOM 712 O LEU A 420 -0.577 61.049 -3.868 1.00 10.46 O ATOM 713 CB LEU A 420 -3.516 60.146 -2.622 1.00 11.44 C ATOM 714 CG LEU A 420 -3.900 61.254 -3.608 1.00 11.35 C ATOM 715 CD1 LEU A 420 -3.864 60.731 -5.040 1.00 14.04 C ATOM 716 CD2 LEU A 420 -5.280 61.798 -3.265 1.00 12.98 C ATOM 717 H LEU A 420 -2.596 58.606 -0.848 1.00 0.00 H ATOM 718 N MET A 421 -0.797 61.327 -1.649 1.00 9.46 N ATOM 719 CA MET A 421 0.199 62.387 -1.596 1.00 10.05 C ATOM 720 C MET A 421 1.540 61.904 -2.144 1.00 9.71 C ATOM 721 O MET A 421 2.185 62.587 -2.950 1.00 10.68 O ATOM 722 CB MET A 421 0.322 62.853 -0.149 1.00 10.20 C ATOM 723 CG MET A 421 1.396 63.890 0.099 1.00 10.87 C ATOM 724 SD MET A 421 1.564 64.242 1.860 1.00 11.13 S ATOM 725 CE MET A 421 2.552 62.857 2.391 1.00 12.68 C ATOM 726 H MET A 421 -1.287 61.041 -0.777 1.00 0.00 H ATOM 727 N PHE A 422 1.990 60.721 -1.712 1.00 10.02 N ATOM 728 CA PHE A 422 3.261 60.201 -2.212 1.00 9.81 C ATOM 729 C PHE A 422 3.170 59.838 -3.687 1.00 10.15 C ATOM 730 O PHE A 422 4.088 60.132 -4.469 1.00 10.21 O ATOM 731 CB PHE A 422 3.711 59.008 -1.366 1.00 10.54 C ATOM 732 CG PHE A 422 4.062 59.381 0.050 1.00 10.87 C ATOM 733 CD1 PHE A 422 4.980 60.384 0.297 1.00 11.44 C ATOM 734 CD2 PHE A 422 3.485 58.740 1.127 1.00 12.12 C ATOM 735 CE1 PHE A 422 5.321 60.747 1.586 1.00 13.06 C ATOM 736 CE2 PHE A 422 3.830 59.105 2.430 1.00 12.53 C ATOM 737 CZ PHE A 422 4.752 60.101 2.646 1.00 12.30 C ATOM 738 H PHE A 422 1.437 60.173 -1.022 1.00 0.00 H ATOM 739 N SER A 423 2.076 59.192 -4.085 1.00 10.11 N ATOM 740 CA SER A 423 1.916 58.800 -5.481 1.00 10.21 C ATOM 741 C SER A 423 1.960 60.004 -6.411 1.00 9.83 C ATOM 742 O SER A 423 2.537 59.924 -7.499 1.00 10.43 O ATOM 743 CB SER A 423 0.595 58.063 -5.659 1.00 10.75 C ATOM 744 OG SER A 423 0.598 56.827 -4.964 1.00 12.79 O ATOM 745 HG SER A 423 1.328 56.256 -5.312 1.00 0.00 H ATOM 746 H SER A 423 1.331 58.965 -3.396 1.00 0.00 H ATOM 747 N ASN A 424 1.323 61.116 -6.020 1.00 9.42 N ATOM 748 CA ASN A 424 1.369 62.320 -6.850 1.00 10.11 C ATOM 749 C ASN A 424 2.807 62.754 -7.069 1.00 10.42 C ATOM 750 O ASN A 424 3.184 63.170 -8.175 1.00 10.51 O ATOM 751 CB ASN A 424 0.594 63.462 -6.192 1.00 10.37 C ATOM 752 CG ASN A 424 -0.900 63.250 -6.217 1.00 10.23 C ATOM 753 OD1 ASN A 424 -1.424 62.464 -6.992 1.00 10.62 O ATOM 754 ND2 ASN A 424 -1.598 63.980 -5.361 1.00 11.50 N ATOM 755 HD22 ASN A 424 -1.110 64.637 -4.719 1.00 0.00 H ATOM 756 HD21 ASN A 424 -2.634 63.897 -5.331 1.00 0.00 H ATOM 757 H ASN A 424 0.795 61.123 -5.124 1.00 0.00 H ATOM 758 N CYS A 425 3.627 62.654 -6.024 1.00 9.56 N ATOM 759 CA CYS A 425 5.028 63.039 -6.123 1.00 10.84 C ATOM 760 C CYS A 425 5.777 62.127 -7.092 1.00 10.11 C ATOM 761 O CYS A 425 6.544 62.602 -7.940 1.00 11.07 O ATOM 762 CB CYS A 425 5.645 63.007 -4.723 1.00 10.51 C ATOM 763 SG CYS A 425 7.326 63.585 -4.623 1.00 11.47 S ATOM 764 H CYS A 425 3.260 62.294 -5.120 1.00 0.00 H ATOM 765 N TYR A 426 5.565 60.805 -6.971 1.00 10.37 N ATOM 766 CA TYR A 426 6.197 59.845 -7.879 1.00 10.49 C ATOM 767 C TYR A 426 5.697 60.013 -9.307 1.00 11.14 C ATOM 768 O TYR A 426 6.429 59.714 -10.259 1.00 12.63 O ATOM 769 CB TYR A 426 5.914 58.402 -7.436 1.00 11.21 C ATOM 770 CG TYR A 426 6.283 58.064 -6.005 1.00 10.27 C ATOM 771 CD1 TYR A 426 7.410 58.612 -5.409 1.00 11.22 C ATOM 772 CD2 TYR A 426 5.500 57.196 -5.248 1.00 11.76 C ATOM 773 CE1 TYR A 426 7.753 58.298 -4.106 1.00 12.53 C ATOM 774 CE2 TYR A 426 5.831 56.885 -3.938 1.00 12.23 C ATOM 775 CZ TYR A 426 6.953 57.447 -3.374 1.00 12.48 C ATOM 776 OH TYR A 426 7.304 57.157 -2.071 1.00 14.62 O ATOM 777 HH TYR A 426 6.572 57.434 -1.464 1.00 0.00 H ATOM 778 H TYR A 426 4.939 60.457 -6.217 1.00 0.00 H ATOM 779 N LYS A 427 4.449 60.447 -9.478 1.00 10.30 N ATOM 780 CA LYS A 427 3.885 60.599 -10.811 1.00 11.55 C ATOM 781 C LYS A 427 4.456 61.823 -11.515 1.00 12.07 C ATOM 782 O LYS A 427 4.775 61.774 -12.709 1.00 13.14 O ATOM 783 CB LYS A 427 2.366 60.731 -10.706 1.00 11.41 C ATOM 784 CG LYS A 427 1.681 60.931 -12.047 1.00 13.86 C ATOM 785 CD LYS A 427 0.170 60.984 -11.929 1.00 17.62 C ATOM 786 CE LYS A 427 -0.456 60.839 -13.305 1.00 23.33 C ATOM 787 NZ LYS A 427 -1.942 60.912 -13.276 1.00 28.95 N ATOM 788 HZ1 LYS A 427 -2.314 60.148 -12.676 1.00 0.00 H ATOM 789 HZ2 LYS A 427 -2.235 61.832 -12.889 1.00 0.00 H ATOM 790 HZ3 LYS A 427 -2.312 60.807 -14.242 1.00 0.00 H ATOM 791 H LYS A 427 3.869 60.681 -8.647 1.00 0.00 H ATOM 792 N TYR A 428 4.587 62.935 -10.793 1.00 11.77 N ATOM 793 CA TYR A 428 4.926 64.196 -11.437 1.00 11.95 C ATOM 794 C TYR A 428 6.423 64.341 -11.700 1.00 12.30 C ATOM 795 O TYR A 428 6.822 64.887 -12.737 1.00 13.66 O ATOM 796 CB TYR A 428 4.419 65.386 -10.611 1.00 11.06 C ATOM 797 CG TYR A 428 4.787 66.675 -11.299 1.00 11.13 C ATOM 798 CD1 TYR A 428 4.085 67.099 -12.420 1.00 12.19 C ATOM 799 CD2 TYR A 428 5.882 67.425 -10.883 1.00 11.90 C ATOM 800 CE1 TYR A 428 4.441 68.253 -13.103 1.00 11.93 C ATOM 801 CE2 TYR A 428 6.250 68.588 -11.563 1.00 11.97 C ATOM 802 CZ TYR A 428 5.522 68.989 -12.666 1.00 10.91 C ATOM 803 OH TYR A 428 5.903 70.128 -13.341 1.00 12.92 O ATOM 804 HH TYR A 428 5.287 70.281 -14.101 1.00 0.00 H ATOM 805 H TYR A 428 4.446 62.902 -9.763 1.00 0.00 H ATOM 806 N ASN A 429 7.260 63.892 -10.779 1.00 11.81 N ATOM 807 CA ASN A 429 8.678 64.221 -10.781 1.00 12.85 C ATOM 808 C ASN A 429 9.509 63.090 -11.367 1.00 15.79 C ATOM 809 O ASN A 429 9.145 61.920 -11.254 1.00 16.18 O ATOM 810 CB ASN A 429 9.148 64.477 -9.347 1.00 12.84 C ATOM 811 CG ASN A 429 8.475 65.676 -8.736 1.00 12.22 C ATOM 812 OD1 ASN A 429 8.854 66.813 -9.013 1.00 13.68 O ATOM 813 ND2 ASN A 429 7.456 65.443 -7.930 1.00 12.37 N ATOM 814 HD22 ASN A 429 7.170 64.465 -7.723 1.00 0.00 H ATOM 815 HD21 ASN A 429 6.940 66.238 -7.502 1.00 0.00 H ATOM 816 H ASN A 429 6.890 63.280 -10.024 1.00 0.00 H ATOM 817 N PRO A 430 10.641 63.417 -11.988 1.00 17.29 N ATOM 818 CA PRO A 430 11.548 62.367 -12.436 1.00 18.27 C ATOM 819 C PRO A 430 12.034 61.560 -11.249 1.00 17.48 C ATOM 820 O PRO A 430 12.186 62.094 -10.137 1.00 17.82 O ATOM 821 CB PRO A 430 12.699 63.151 -13.084 1.00 20.98 C ATOM 822 CG PRO A 430 12.146 64.515 -13.361 1.00 25.08 C ATOM 823 CD PRO A 430 11.155 64.765 -12.268 1.00 19.47 C ATOM 824 N PRO A 431 12.312 60.269 -11.445 1.00 17.73 N ATOM 825 CA PRO A 431 12.652 59.416 -10.295 1.00 20.12 C ATOM 826 C PRO A 431 13.938 59.805 -9.588 1.00 19.58 C ATOM 827 O PRO A 431 14.145 59.375 -8.446 1.00 21.53 O ATOM 828 CB PRO A 431 12.753 58.008 -10.900 1.00 20.48 C ATOM 829 CG PRO A 431 12.243 58.115 -12.300 1.00 27.15 C ATOM 830 CD PRO A 431 12.338 59.538 -12.721 1.00 21.97 C ATOM 831 N ASP A 432 14.814 60.577 -10.226 1.00 19.17 N ATOM 832 CA ASP A 432 16.072 60.994 -9.616 1.00 20.63 C ATOM 833 C ASP A 432 15.986 62.350 -8.916 1.00 22.51 C ATOM 834 O ASP A 432 17.006 62.850 -8.432 1.00 22.87 O ATOM 835 CB ASP A 432 17.205 60.971 -10.653 1.00 23.97 C ATOM 836 CG ASP A 432 17.013 61.994 -11.757 1.00 29.64 C ATOM 837 OD1 ASP A 432 18.026 62.520 -12.266 1.00 33.39 O ATOM 838 OD2 ASP A 432 15.852 62.289 -12.109 1.00 28.33 O ATOM 839 H ASP A 432 14.595 60.894 -11.192 1.00 0.00 H ATOM 840 N HIS A 433 14.798 62.945 -8.840 1.00 19.85 N ATOM 841 CA HIS A 433 14.633 64.240 -8.194 1.00 18.36 C ATOM 842 C HIS A 433 14.763 64.098 -6.680 1.00 16.70 C ATOM 843 O HIS A 433 14.319 63.110 -6.091 1.00 15.39 O ATOM 844 CB HIS A 433 13.247 64.781 -8.545 1.00 17.56 C ATOM 845 CG HIS A 433 13.055 66.241 -8.273 1.00 18.38 C ATOM 846 ND1 HIS A 433 13.015 66.768 -6.999 1.00 16.45 N ATOM 847 CD2 HIS A 433 12.835 67.278 -9.116 1.00 21.20 C ATOM 848 CE1 HIS A 433 12.798 68.070 -7.072 1.00 19.47 C ATOM 849 NE2 HIS A 433 12.686 68.404 -8.345 1.00 21.62 N ATOM 850 H HIS A 433 13.967 62.474 -9.252 1.00 0.00 H ATOM 851 N ASP A 434 15.368 65.106 -6.044 1.00 17.01 N ATOM 852 CA ASP A 434 15.502 65.095 -4.590 1.00 18.20 C ATOM 853 C ASP A 434 14.160 64.875 -3.896 1.00 13.50 C ATOM 854 O ASP A 434 14.092 64.197 -2.866 1.00 15.06 O ATOM 855 CB ASP A 434 16.134 66.404 -4.100 1.00 19.80 C ATOM 856 CG ASP A 434 17.625 66.479 -4.372 1.00 25.94 C ATOM 857 OD1 ASP A 434 18.244 65.424 -4.638 1.00 27.35 O ATOM 858 OD2 ASP A 434 18.181 67.599 -4.300 1.00 32.29 O ATOM 859 H ASP A 434 15.747 65.906 -6.590 1.00 0.00 H ATOM 860 N VAL A 435 13.077 65.449 -4.436 1.00 13.60 N ATOM 861 CA VAL A 435 11.796 65.339 -3.740 1.00 12.55 C ATOM 862 C VAL A 435 11.312 63.897 -3.716 1.00 12.43 C ATOM 863 O VAL A 435 10.613 63.484 -2.782 1.00 12.41 O ATOM 864 CB VAL A 435 10.745 66.303 -4.323 1.00 12.24 C ATOM 865 CG1 VAL A 435 10.215 65.809 -5.664 1.00 13.30 C ATOM 866 CG2 VAL A 435 9.608 66.510 -3.322 1.00 12.57 C ATOM 867 H VAL A 435 13.146 65.965 -5.336 1.00 0.00 H ATOM 868 N VAL A 436 11.663 63.113 -4.736 1.00 12.29 N ATOM 869 CA VAL A 436 11.265 61.711 -4.776 1.00 11.74 C ATOM 870 C VAL A 436 12.012 60.913 -3.713 1.00 12.89 C ATOM 871 O VAL A 436 11.429 60.061 -3.036 1.00 12.46 O ATOM 872 CB VAL A 436 11.455 61.146 -6.196 1.00 12.92 C ATOM 873 CG1 VAL A 436 11.300 59.629 -6.201 1.00 13.80 C ATOM 874 CG2 VAL A 436 10.476 61.803 -7.161 1.00 14.48 C ATOM 875 H VAL A 436 12.229 63.507 -5.514 1.00 0.00 H ATOM 876 N ALA A 437 13.303 61.201 -3.522 1.00 13.26 N ATOM 877 CA ALA A 437 14.044 60.555 -2.445 1.00 13.04 C ATOM 878 C ALA A 437 13.441 60.901 -1.089 1.00 12.30 C ATOM 879 O ALA A 437 13.358 60.048 -0.193 1.00 12.99 O ATOM 880 CB ALA A 437 15.511 60.984 -2.503 1.00 14.76 C ATOM 881 H ALA A 437 13.780 61.887 -4.142 1.00 0.00 H ATOM 882 N MET A 438 13.029 62.161 -0.917 1.00 12.15 N ATOM 883 CA MET A 438 12.385 62.574 0.324 1.00 11.43 C ATOM 884 C MET A 438 11.041 61.883 0.504 1.00 11.54 C ATOM 885 O MET A 438 10.710 61.449 1.612 1.00 12.12 O ATOM 886 CB MET A 438 12.239 64.095 0.339 1.00 11.71 C ATOM 887 CG MET A 438 13.595 64.803 0.358 1.00 12.29 C ATOM 888 SD MET A 438 13.601 66.463 -0.304 1.00 16.35 S ATOM 889 CE MET A 438 13.209 67.351 1.178 1.00 20.29 C ATOM 890 H MET A 438 13.170 62.856 -1.678 1.00 0.00 H ATOM 891 N ALA A 439 10.254 61.778 -0.571 1.00 11.75 N ATOM 892 CA ALA A 439 8.986 61.056 -0.503 1.00 11.34 C ATOM 893 C ALA A 439 9.204 59.621 -0.045 1.00 11.57 C ATOM 894 O ALA A 439 8.477 59.115 0.816 1.00 11.55 O ATOM 895 CB ALA A 439 8.295 61.076 -1.867 1.00 12.48 C ATOM 896 H ALA A 439 10.548 62.216 -1.467 1.00 0.00 H ATOM 897 N ARG A 440 10.190 58.935 -0.629 1.00 11.11 N ATOM 898 CA ARG A 440 10.415 57.539 -0.266 1.00 11.93 C ATOM 899 C ARG A 440 10.762 57.403 1.208 1.00 11.52 C ATOM 900 O ARG A 440 10.302 56.475 1.879 1.00 12.51 O ATOM 901 CB ARG A 440 11.513 56.929 -1.137 1.00 13.85 C ATOM 902 CG ARG A 440 11.140 56.804 -2.608 1.00 16.57 C ATOM 903 CD ARG A 440 12.315 56.293 -3.417 1.00 20.66 C ATOM 904 NE ARG A 440 12.636 54.925 -3.040 1.00 24.11 N ATOM 905 CZ ARG A 440 13.845 54.388 -3.141 1.00 30.28 C ATOM 906 NH1 ARG A 440 14.860 55.111 -3.600 1.00 32.05 N ATOM 907 NH2 ARG A 440 14.041 53.130 -2.772 1.00 30.13 N ATOM 908 HE ARG A 440 11.869 54.330 -2.668 1.00 0.00 H ATOM 909 HH12 ARG A 440 15.807 54.688 -3.678 1.00 0.00 H ATOM 910 HH11 ARG A 440 14.708 56.101 -3.881 1.00 0.00 H ATOM 911 HH22 ARG A 440 14.988 52.707 -2.850 1.00 0.00 H ATOM 912 HH21 ARG A 440 13.248 52.566 -2.404 1.00 0.00 H ATOM 913 H ARG A 440 10.795 59.394 -1.340 1.00 0.00 H ATOM 914 N LYS A 441 11.571 58.322 1.733 1.00 12.36 N ATOM 915 CA LYS A 441 11.940 58.254 3.143 1.00 13.49 C ATOM 916 C LYS A 441 10.744 58.516 4.051 1.00 11.13 C ATOM 917 O LYS A 441 10.533 57.803 5.041 1.00 12.41 O ATOM 918 CB LYS A 441 13.083 59.222 3.427 1.00 14.05 C ATOM 919 CG LYS A 441 14.396 58.739 2.845 1.00 18.26 C ATOM 920 CD LYS A 441 15.454 59.818 2.876 1.00 19.55 C ATOM 921 CE LYS A 441 15.778 60.236 4.298 1.00 18.69 C ATOM 922 NZ LYS A 441 16.904 61.200 4.283 1.00 16.83 N ATOM 923 HZ1 LYS A 441 17.738 60.751 3.854 1.00 0.00 H ATOM 924 HZ2 LYS A 441 16.635 62.037 3.727 1.00 0.00 H ATOM 925 HZ3 LYS A 441 17.126 61.487 5.258 1.00 0.00 H ATOM 926 H LYS A 441 11.940 59.090 1.136 1.00 0.00 H ATOM 927 N LEU A 442 9.938 59.523 3.725 1.00 11.63 N ATOM 928 CA LEU A 442 8.770 59.794 4.556 1.00 11.21 C ATOM 929 C LEU A 442 7.741 58.676 4.438 1.00 10.87 C ATOM 930 O LEU A 442 7.080 58.323 5.424 1.00 11.16 O ATOM 931 CB LEU A 442 8.152 61.144 4.198 1.00 11.69 C ATOM 932 CG LEU A 442 7.185 61.677 5.262 1.00 11.76 C ATOM 933 CD1 LEU A 442 7.911 61.976 6.575 1.00 12.94 C ATOM 934 CD2 LEU A 442 6.457 62.902 4.748 1.00 12.73 C ATOM 935 H LEU A 442 10.138 60.109 2.889 1.00 0.00 H ATOM 936 N GLN A 443 7.588 58.104 3.244 1.00 10.85 N ATOM 937 CA GLN A 443 6.646 57.001 3.097 1.00 10.91 C ATOM 938 C GLN A 443 7.095 55.779 3.889 1.00 11.68 C ATOM 939 O GLN A 443 6.261 55.045 4.435 1.00 10.81 O ATOM 940 CB GLN A 443 6.412 56.654 1.625 1.00 12.67 C ATOM 941 CG GLN A 443 5.393 55.547 1.475 1.00 13.88 C ATOM 942 CD GLN A 443 4.710 55.515 0.130 1.00 14.54 C ATOM 943 OE1 GLN A 443 5.240 55.994 -0.869 1.00 15.34 O ATOM 944 NE2 GLN A 443 3.516 54.943 0.098 1.00 16.22 N ATOM 945 HE22 GLN A 443 3.104 54.550 0.968 1.00 0.00 H ATOM 946 HE21 GLN A 443 2.990 54.887 -0.797 1.00 0.00 H ATOM 947 H GLN A 443 8.135 58.441 2.426 1.00 0.00 H ATOM 948 N ASP A 444 8.406 55.546 3.960 1.00 11.86 N ATOM 949 CA ASP A 444 8.920 54.469 4.798 1.00 12.48 C ATOM 950 C ASP A 444 8.510 54.672 6.248 1.00 12.38 C ATOM 951 O ASP A 444 8.047 53.739 6.911 1.00 12.66 O ATOM 952 CB ASP A 444 10.442 54.404 4.672 1.00 16.58 C ATOM 953 CG ASP A 444 11.055 53.341 5.559 1.00 25.38 C ATOM 954 OD1 ASP A 444 11.495 53.674 6.681 1.00 32.66 O ATOM 955 OD2 ASP A 444 11.081 52.172 5.137 1.00 26.51 O ATOM 956 H ASP A 444 9.066 56.136 3.414 1.00 0.00 H ATOM 957 N VAL A 445 8.665 55.894 6.762 1.00 11.90 N ATOM 958 CA VAL A 445 8.210 56.185 8.119 1.00 12.68 C ATOM 959 C VAL A 445 6.732 55.854 8.255 1.00 11.09 C ATOM 960 O VAL A 445 6.301 55.191 9.207 1.00 11.64 O ATOM 961 CB VAL A 445 8.483 57.659 8.477 1.00 12.97 C ATOM 962 CG1 VAL A 445 7.891 57.993 9.842 1.00 14.63 C ATOM 963 CG2 VAL A 445 9.984 57.968 8.430 1.00 15.13 C ATOM 964 H VAL A 445 9.112 56.642 6.194 1.00 0.00 H ATOM 965 N PHE A 446 5.931 56.343 7.308 1.00 10.84 N ATOM 966 CA PHE A 446 4.491 56.129 7.359 1.00 10.08 C ATOM 967 C PHE A 446 4.138 54.648 7.339 1.00 10.25 C ATOM 968 O PHE A 446 3.359 54.174 8.174 1.00 10.45 O ATOM 969 CB PHE A 446 3.807 56.847 6.194 1.00 10.87 C ATOM 970 CG PHE A 446 2.385 56.439 6.025 1.00 10.29 C ATOM 971 CD1 PHE A 446 1.410 56.900 6.896 1.00 12.93 C ATOM 972 CD2 PHE A 446 2.026 55.526 5.049 1.00 12.23 C ATOM 973 CE1 PHE A 446 0.096 56.484 6.770 1.00 13.81 C ATOM 974 CE2 PHE A 446 0.712 55.114 4.923 1.00 14.10 C ATOM 975 CZ PHE A 446 -0.251 55.599 5.789 1.00 13.96 C ATOM 976 H PHE A 446 6.341 56.886 6.521 1.00 0.00 H ATOM 977 N GLU A 447 4.669 53.906 6.361 1.00 9.54 N ATOM 978 CA GLU A 447 4.234 52.525 6.183 1.00 9.91 C ATOM 979 C GLU A 447 4.616 51.666 7.379 1.00 10.04 C ATOM 980 O GLU A 447 3.833 50.816 7.813 1.00 10.54 O ATOM 981 CB GLU A 447 4.799 51.932 4.890 1.00 12.17 C ATOM 982 CG GLU A 447 4.305 52.615 3.617 1.00 13.09 C ATOM 983 CD GLU A 447 2.821 52.410 3.317 1.00 11.88 C ATOM 984 OE1 GLU A 447 2.175 51.532 3.931 1.00 12.60 O ATOM 985 OE2 GLU A 447 2.289 53.147 2.453 1.00 13.25 O ATOM 986 H GLU A 447 5.389 54.312 5.730 1.00 0.00 H ATOM 987 N PHE A 448 5.814 51.863 7.930 1.00 10.36 N ATOM 988 CA PHE A 448 6.210 51.031 9.059 1.00 11.48 C ATOM 989 C PHE A 448 5.344 51.295 10.285 1.00 11.53 C ATOM 990 O PHE A 448 4.988 50.357 11.008 1.00 12.54 O ATOM 991 CB PHE A 448 7.703 51.167 9.348 1.00 11.99 C ATOM 992 CG PHE A 448 8.539 50.237 8.516 1.00 13.95 C ATOM 993 CD1 PHE A 448 8.744 48.916 8.918 1.00 14.20 C ATOM 994 CD2 PHE A 448 9.063 50.652 7.304 1.00 18.96 C ATOM 995 CE1 PHE A 448 9.494 48.040 8.139 1.00 16.01 C ATOM 996 CE2 PHE A 448 9.816 49.782 6.521 1.00 18.39 C ATOM 997 CZ PHE A 448 10.026 48.473 6.940 1.00 17.00 C ATOM 998 H PHE A 448 6.453 52.596 7.561 1.00 0.00 H ATOM 999 N ARG A 449 4.967 52.552 10.530 1.00 11.26 N ATOM 1000 CA ARG A 449 4.120 52.811 11.690 1.00 11.37 C ATOM 1001 C ARG A 449 2.660 52.465 11.420 1.00 10.10 C ATOM 1002 O ARG A 449 1.952 51.996 12.321 1.00 10.62 O ATOM 1003 CB ARG A 449 4.275 54.245 12.196 1.00 11.70 C ATOM 1004 CG ARG A 449 3.618 54.422 13.549 1.00 11.92 C ATOM 1005 CD ARG A 449 4.020 55.713 14.238 1.00 12.83 C ATOM 1006 NE ARG A 449 3.208 55.868 15.437 1.00 13.30 N ATOM 1007 CZ ARG A 449 3.039 57.008 16.094 1.00 13.55 C ATOM 1008 NH1 ARG A 449 3.655 58.106 15.690 1.00 13.08 N ATOM 1009 NH2 ARG A 449 2.256 57.034 17.158 1.00 14.43 N ATOM 1010 HE ARG A 449 2.725 55.023 15.805 1.00 0.00 H ATOM 1011 HH12 ARG A 449 3.520 58.998 16.207 1.00 0.00 H ATOM 1012 HH11 ARG A 449 4.274 58.078 14.855 1.00 0.00 H ATOM 1013 HH22 ARG A 449 2.117 57.923 17.680 1.00 0.00 H ATOM 1014 HH21 ARG A 449 1.779 56.166 17.474 1.00 0.00 H ATOM 1015 H ARG A 449 5.270 53.329 9.908 1.00 0.00 H ATOM 1016 N TYR A 450 2.183 52.686 10.196 1.00 10.14 N ATOM 1017 CA TYR A 450 0.820 52.280 9.869 1.00 10.78 C ATOM 1018 C TYR A 450 0.649 50.775 10.060 1.00 10.56 C ATOM 1019 O TYR A 450 -0.412 50.306 10.492 1.00 11.73 O ATOM 1020 CB TYR A 450 0.487 52.687 8.431 1.00 11.69 C ATOM 1021 CG TYR A 450 -0.956 52.441 8.062 1.00 11.25 C ATOM 1022 CD1 TYR A 450 -1.966 53.257 8.559 1.00 12.43 C ATOM 1023 CD2 TYR A 450 -1.316 51.393 7.230 1.00 12.78 C ATOM 1024 CE1 TYR A 450 -3.297 53.032 8.237 1.00 14.64 C ATOM 1025 CE2 TYR A 450 -2.644 51.168 6.904 1.00 13.08 C ATOM 1026 CZ TYR A 450 -3.626 51.990 7.413 1.00 13.25 C ATOM 1027 OH TYR A 450 -4.951 51.764 7.095 1.00 15.64 O ATOM 1028 HH TYR A 450 -5.213 50.860 7.401 1.00 0.00 H ATOM 1029 H TYR A 450 2.779 53.145 9.478 1.00 0.00 H ATOM 1030 N ALA A 451 1.696 50.005 9.760 1.00 10.33 N ATOM 1031 CA ALA A 451 1.663 48.563 9.951 1.00 11.73 C ATOM 1032 C ALA A 451 1.525 48.172 11.417 1.00 14.69 C ATOM 1033 O ALA A 451 1.123 47.035 11.697 1.00 16.37 O ATOM 1034 CB ALA A 451 2.916 47.942 9.334 1.00 12.12 C ATOM 1035 H ALA A 451 2.558 50.446 9.380 1.00 0.00 H ATOM 1036 N LYS A 452 1.848 49.063 12.357 1.00 13.71 N ATOM 1037 CA LYS A 452 1.685 48.796 13.788 1.00 14.93 C ATOM 1038 C LYS A 452 0.298 49.163 14.312 1.00 16.65 C ATOM 1039 O LYS A 452 0.097 49.223 15.534 1.00 17.95 O ATOM 1040 CB LYS A 452 2.763 49.522 14.591 1.00 16.35 C ATOM 1041 CG LYS A 452 4.166 49.074 14.242 1.00 17.23 C ATOM 1042 CD LYS A 452 5.204 49.967 14.910 1.00 18.71 C ATOM 1043 CE LYS A 452 6.622 49.470 14.644 1.00 24.41 C ATOM 1044 NZ LYS A 452 6.919 49.329 13.186 1.00 23.76 N ATOM 1045 HZ1 LYS A 452 6.257 48.648 12.763 1.00 0.00 H ATOM 1046 HZ2 LYS A 452 6.812 50.253 12.721 1.00 0.00 H ATOM 1047 HZ3 LYS A 452 7.894 48.989 13.063 1.00 0.00 H ATOM 1048 H LYS A 452 2.231 49.984 12.061 1.00 0.00 H ATOM 1049 N MET A 453 -0.653 49.399 13.424 1.00 15.72 N ATOM 1050 CA MET A 453 -2.001 49.784 13.818 1.00 17.44 C ATOM 1051 C MET A 453 -2.627 48.724 14.717 1.00 16.55 C ATOM 1052 O MET A 453 -2.592 47.534 14.378 1.00 18.98 O ATOM 1053 CB MET A 453 -2.837 49.914 12.545 1.00 24.31 C ATOM 1054 CG MET A 453 -4.331 50.155 12.761 1.00 25.77 C ATOM 1055 SD MET A 453 -4.856 51.698 11.985 1.00 24.06 S ATOM 1056 CE MET A 453 -3.387 52.065 11.057 1.00 26.89 C ATOM 1057 H MET A 453 -0.431 49.307 12.412 1.00 0.00 H ATOM 1058 N PRO A 454 -3.247 49.109 15.846 1.00 16.74 N ATOM 1059 CA PRO A 454 -3.994 48.169 16.691 1.00 21.26 C ATOM 1060 C PRO A 454 -5.151 47.532 15.929 1.00 24.09 C ATOM 1061 O PRO A 454 -5.802 48.207 15.126 1.00 23.19 O ATOM 1062 CB PRO A 454 -4.543 49.062 17.814 1.00 26.70 C ATOM 1063 CG PRO A 454 -3.682 50.274 17.804 1.00 27.54 C ATOM 1064 CD PRO A 454 -3.304 50.484 16.370 1.00 21.45 C TER 1065 PRO A 454 HETATM 1066 O HOH 1 0.203 69.286 13.981 1.00 31.41 O HETATM 1067 O HOH 2 10.107 51.501 3.127 1.00 28.13 O HETATM 1068 O HOH 3 -5.881 49.684 6.032 1.00 28.43 O HETATM 1069 O HOH 4 -4.262 68.317 14.300 1.00 27.08 O HETATM 1070 O HOH 5 1.928 54.958 -6.054 1.00 14.26 O HETATM 1071 O HOH 6 -10.329 52.165 11.090 1.00 21.99 O HETATM 1072 O HOH 7 -11.174 68.269 16.036 1.00 36.00 O HETATM 1073 O HOH 8 -5.901 72.582 10.166 1.00 31.78 O HETATM 1074 O HOH 9 -14.050 54.265 12.110 1.00 29.59 O HETATM 1075 O HOH 10 8.284 66.718 9.744 1.00 13.85 O HETATM 1076 O HOH 11 3.292 65.947 -5.834 1.00 11.49 O HETATM 1077 O HOH 12 -12.457 50.436 5.246 1.00 32.54 O HETATM 1078 O HOH 13 5.819 47.193 12.106 1.00 27.01 O HETATM 1079 O HOH 14 -10.958 60.848 1.688 1.00 20.22 O HETATM 1080 O HOH 15 -7.665 59.321 -1.120 1.00 19.38 O HETATM 1081 O HOH 16 -9.332 67.211 -10.680 1.00 33.83 O HETATM 1082 O HOH 17 -9.466 72.254 11.147 1.00 31.44 O HETATM 1083 O HOH 18 15.025 67.980 11.812 1.00 21.73 O HETATM 1084 O HOH 19 -12.931 60.525 12.003 1.00 21.81 O HETATM 1085 O HOH 20 -12.734 53.794 3.896 1.00 23.21 O HETATM 1086 O HOH 21 -2.651 69.302 -1.687 1.00 13.26 O HETATM 1087 O HOH 22 -6.465 52.269 2.362 1.00 14.98 O HETATM 1088 O HOH 23 -5.300 69.336 -9.814 1.00 16.70 O HETATM 1089 O HOH 24 15.316 60.413 -6.233 1.00 20.55 O HETATM 1090 O HOH 25 -3.539 62.355 -11.625 1.00 21.11 O HETATM 1091 O HOH 26 3.311 69.390 -1.222 1.00 11.99 O HETATM 1092 O HOH 27 7.855 62.456 16.266 1.00 29.66 O HETATM 1093 O HOH 28 1.336 71.388 7.483 1.00 24.88 O HETATM 1094 O HOH 29 9.109 59.313 -10.471 1.00 18.02 O HETATM 1095 O HOH 30 8.991 56.114 13.021 1.00 20.18 O HETATM 1096 O HOH 31 -3.861 73.788 3.589 1.00 31.98 O HETATM 1097 O HOH 32 9.569 54.105 0.753 1.00 26.62 O HETATM 1098 O HOH 33 -1.997 56.227 -4.388 1.00 12.73 O HETATM 1099 O HOH 34 -9.157 62.804 -0.798 1.00 23.06 O HETATM 1100 O HOH 35 -1.093 74.899 -7.152 1.00 17.42 O HETATM 1101 O HOH 36 -4.973 66.357 -18.067 1.00 26.16 O HETATM 1102 O HOH 37 -1.776 62.396 -15.577 1.00 30.74 O HETATM 1103 O HOH 38 -3.964 56.265 -2.543 1.00 16.33 O HETATM 1104 O HOH 39 -1.835 72.783 -14.900 1.00 17.76 O HETATM 1105 O HOH 40 9.664 68.840 -10.686 1.00 27.59 O HETATM 1106 O HOH 41 0.735 75.918 -0.618 1.00 23.48 O HETATM 1107 O HOH 42 -4.098 71.981 8.374 1.00 24.93 O HETATM 1108 O HOH 43 -0.973 79.629 -6.142 1.00 32.45 O HETATM 1109 O HOH 44 -5.567 66.106 13.912 1.00 20.36 O HETATM 1110 O HOH 45 2.126 65.309 -3.449 1.00 10.80 O HETATM 1111 O HOH 46 3.871 67.337 14.975 1.00 23.22 O HETATM 1112 O HOH 47 10.299 58.253 15.436 1.00 30.75 O HETATM 1113 O HOH 48 -7.563 65.842 -3.862 1.00 29.86 O HETATM 1114 O HOH 49 -0.549 76.135 -17.447 1.00 17.93 O HETATM 1115 O HOH 50 -0.153 66.638 -4.434 1.00 11.72 O HETATM 1116 O HOH 51 -5.469 72.665 -16.797 1.00 28.93 O HETATM 1117 O HOH 52 7.973 54.345 11.267 1.00 14.11 O HETATM 1118 O HOH 53 10.663 75.157 -9.328 1.00 28.02 O HETATM 1119 O HOH 54 2.255 66.888 -1.255 1.00 11.68 O HETATM 1120 O HOH 55 4.330 59.586 -14.375 1.00 27.09 O HETATM 1121 O HOH 56 16.595 67.187 -7.441 1.00 25.83 O HETATM 1122 O HOH 57 -1.480 71.409 -5.207 1.00 14.56 O HETATM 1123 O HOH 58 -12.716 68.277 5.825 1.00 23.29 O HETATM 1124 O HOH 59 14.627 65.341 9.898 1.00 16.27 O HETATM 1125 O HOH 60 7.391 82.373 -7.649 1.00 25.65 O HETATM 1126 O HOH 61 16.509 69.285 4.558 1.00 25.86 O HETATM 1127 O HOH 62 -9.140 58.714 1.098 1.00 17.77 O HETATM 1128 O HOH 63 4.689 74.664 -3.138 1.00 17.51 O HETATM 1129 O HOH 64 7.709 60.998 -13.483 1.00 29.95 O HETATM 1130 O HOH 65 7.115 56.056 16.019 1.00 28.06 O HETATM 1131 O HOH 66 -5.365 49.627 8.878 1.00 29.72 O HETATM 1132 O HOH 67 -5.667 68.741 -18.524 1.00 21.36 O HETATM 1133 O HOH 68 4.504 74.460 6.368 1.00 22.33 O HETATM 1134 O HOH 69 0.265 77.742 -13.515 1.00 26.28 O HETATM 1135 O HOH 70 -3.781 62.738 -8.531 1.00 14.84 O HETATM 1136 O HOH 71 15.130 57.852 -0.504 1.00 21.43 O HETATM 1137 O HOH 72 16.089 63.100 2.334 1.00 21.53 O HETATM 1138 O HOH 73 -1.371 59.772 -7.911 1.00 16.99 O HETATM 1139 O HOH 74 -10.628 65.698 0.222 1.00 29.07 O HETATM 1140 O HOH 75 -0.681 77.343 -8.700 1.00 26.66 O HETATM 1141 O HOH 76 16.198 65.549 2.979 1.00 21.78 O HETATM 1142 O HOH 77 1.808 49.256 2.201 1.00 15.00 O HETATM 1143 O HOH 78 4.137 73.541 -0.563 1.00 17.69 O HETATM 1144 O HOH 79 -6.185 71.250 -0.190 1.00 31.05 O HETATM 1145 O HOH 80 -2.428 48.602 9.284 1.00 20.90 O HETATM 1146 O HOH 81 8.403 67.156 -13.656 1.00 25.96 O HETATM 1147 O HOH 82 -0.546 69.408 -3.399 1.00 11.97 O HETATM 1148 O HOH 83 8.113 68.557 16.595 1.00 23.68 O HETATM 1149 O HOH 84 4.873 70.837 10.906 1.00 30.28 O HETATM 1150 O HOH 85 9.011 71.358 10.930 1.00 29.75 O HETATM 1151 O HOH 86 -0.156 73.598 -12.916 1.00 16.86 O HETATM 1152 O HOH 87 15.954 69.734 2.000 1.00 25.98 O HETATM 1153 O HOH 88 7.327 52.236 12.990 1.00 19.51 O HETATM 1154 O HOH 89 -10.547 51.259 16.060 1.00 25.72 O HETATM 1155 O HOH 90 -12.234 52.105 18.700 1.00 29.50 O HETATM 1156 O HOH 91 3.315 53.245 16.834 1.00 21.08 O HETATM 1157 O HOH 92 13.748 56.638 -7.341 1.00 31.70 O HETATM 1158 O HOH 93 9.240 47.596 12.486 1.00 26.89 O HETATM 1159 O HOH 94 13.025 71.341 7.379 1.00 27.08 O HETATM 1160 O HOH 95 -4.969 50.744 4.261 1.00 21.69 O HETATM 1161 O HOH 96 -4.969 66.293 16.993 1.00 26.38 O HETATM 1162 O HOH 97 11.473 70.939 -9.473 1.00 26.23 O HETATM 1163 O HOH 98 -12.409 50.157 9.275 1.00 33.45 O HETATM 1164 O HOH 99 -6.618 69.084 -2.825 1.00 31.18 O HETATM 1165 O HOH 100 -14.320 56.024 3.194 1.00 25.70 O HETATM 1166 O HOH 101 -11.098 61.951 10.809 1.00 16.60 O HETATM 1167 O HOH 102 5.184 72.293 1.605 1.00 17.32 O HETATM 1168 O HOH 103 10.970 73.149 -7.573 1.00 21.52 O HETATM 1169 O HOH 104 -13.031 63.290 1.996 1.00 26.03 O HETATM 1170 O HOH 105 -6.769 70.012 -11.883 1.00 30.15 O HETATM 1171 O HOH 106 10.485 65.462 16.933 1.00 23.03 O HETATM 1172 O HOH 107 -15.451 58.091 11.632 1.00 24.04 O HETATM 1173 O HOH 108 -12.762 66.791 1.851 1.00 32.89 O HETATM 1174 O HOH 109 -5.563 60.493 -8.557 1.00 28.40 O HETATM 1175 O HOH 110 -1.613 46.381 10.191 1.00 22.23 O HETATM 1176 O HOH 111 -7.655 66.341 15.895 1.00 28.15 O HETATM 1177 O HOH 112 14.670 58.080 -4.792 1.00 30.20 O HETATM 1178 O HOH 113 -3.719 47.164 11.390 1.00 27.46 O HETATM 1179 O HOH 114 4.405 80.306 -2.561 1.00 27.51 O HETATM 1180 O HOH 115 18.257 68.651 -1.200 1.00 32.45 O HETATM 1181 O HOH 116 10.421 53.610 9.957 1.00 30.49 O HETATM 1182 O HOH 117 -2.336 75.713 -5.122 1.00 34.48 O HETATM 1183 O HOH 118 -10.636 53.968 1.833 1.00 24.83 O HETATM 1184 O HOH 119 -14.725 58.156 14.494 1.00 25.62 O HETATM 1185 O HOH 120 7.666 52.797 1.719 1.00 27.19 O HETATM 1186 O HOH 121 -8.884 51.878 1.224 1.00 22.31 O HETATM 1187 O HOH 122 -7.624 59.259 -5.909 1.00 35.19 O HETATM 1188 O HOH 123 -2.714 57.479 -6.794 1.00 16.29 O HETATM 1189 O HOH 124 -10.981 61.012 14.450 1.00 30.65 O HETATM 1190 O HOH 125 5.517 76.839 -2.108 1.00 30.36 O HETATM 1191 O HOH 126 -14.144 58.979 -0.055 1.00 28.72 O HETATM 1192 O HOH 127 4.477 63.231 -16.390 1.00 34.78 O HETATM 1193 O HOH 128 -16.379 70.184 10.850 1.00 31.97 O HETATM 1194 O HOH 129 -7.299 70.165 -8.253 1.00 34.52 O HETATM 1195 O HOH 130 -5.411 46.888 7.221 1.00 27.20 O HETATM 1196 O HOH 131 -0.986 72.650 8.845 1.00 32.98 O HETATM 1197 O HOH 132 11.728 56.916 12.381 1.00 29.28 O HETATM 1198 O HOH 133 2.178 45.708 15.679 1.00 31.51 O HETATM 1199 O HOH 134 14.565 49.448 -1.016 1.00 32.52 O HETATM 1200 O HOH 135 4.244 56.983 20.783 1.00 32.16 O HETATM 1201 O HOH 136 -15.421 55.394 14.312 1.00 31.96 O HETATM 1202 O HOH 137 6.590 53.466 15.402 1.00 30.94 O HETATM 1203 O HOH 138 12.115 74.928 -4.491 1.00 30.07 O HETATM 1204 O HOH 139 -1.051 76.073 -12.051 1.00 25.33 O HETATM 1205 O HOH 140 -5.941 72.264 -6.303 1.00 29.11 O HETATM 1206 O HOH 141 5.617 74.547 3.658 1.00 25.03 O HETATM 1207 O HOH 142 2.665 69.277 14.579 1.00 32.81 O HETATM 1208 O HOH 143 3.593 71.974 9.325 1.00 31.64 O HETATM 1209 O HOH 144 -2.362 78.558 -4.149 1.00 38.27 O HETATM 1210 O HOH 145 -1.293 76.666 -2.568 1.00 33.58 O HETATM 1211 O HOH 146 5.631 83.100 -14.467 1.00 34.66 O HETATM 1212 O HOH 147 -4.899 70.849 -2.396 1.00 20.10 O HETATM 1213 O HOH 148 -10.526 56.275 0.400 1.00 26.89 O HETATM 1214 O HOH 149 11.366 72.579 8.437 1.00 32.52 O HETATM 1215 O HOH 150 5.746 67.345 16.984 1.00 32.13 O HETATM 1216 O HOH 151 -7.777 57.311 -3.019 1.00 28.80 O HETATM 1217 O HOH 152 -13.306 56.453 0.747 1.00 30.34 O HETATM 1218 O HOH 153 8.114 82.362 -4.587 1.00 31.72 O HETATM 1219 O HOH 154 9.717 54.612 15.137 1.00 33.13 O HETATM 1220 O HOH 155 8.860 79.364 -3.632 1.00 35.01 O HETATM 1221 O HOH 156 -3.969 72.291 -4.568 1.00 19.38 O HETATM 1222 O HOH 157 16.761 67.547 0.524 1.00 26.49 O HETATM 1223 O HOH 158 -9.858 49.044 17.886 1.00 34.92 O HETATM 1224 O HOH 159 -16.296 59.378 15.699 1.00 36.94 O HETATM 1225 O HOH 160 -1.737 68.722 18.703 1.00 31.43 O HETATM 1226 O HOH 161 -9.703 49.377 2.094 1.00 31.97 O HETATM 1227 C01 CQF A 162 6.630 71.870 -2.199 1.00 -0.07 C HETATM 1228 C02 CQF A 162 7.963 72.503 -2.616 1.00 -0.05 C HETATM 1229 C03 CQF A 162 8.849 71.938 -3.721 1.00 -0.06 C HETATM 1230 C04 CQF A 162 8.345 70.691 -4.440 1.00 0.01 C HETATM 1231 C05 CQF A 162 7.070 70.094 -4.035 1.00 0.10 C HETATM 1232 C06 CQF A 162 6.167 70.629 -2.935 1.00 -0.04 C HETATM 1233 H3 CQF A 162 5.230 70.143 -2.687 1.00 0.06 H HETATM 1234 N11 CQF A 162 6.620 68.900 -4.747 1.00 -0.17 N HETATM 1235 C10 CQF A 162 6.632 68.831 -6.070 1.00 0.14 C HETATM 1236 C09 CQF A 162 7.103 70.017 -6.927 1.00 0.03 C HETATM 1237 C08 CQF A 162 8.602 70.165 -6.934 1.00 -0.01 C HETATM 1238 C07 CQF A 162 9.217 70.084 -5.551 1.00 0.07 C HETATM 1239 N22 CQF A 162 10.463 70.795 -5.633 1.00 -0.31 N HETATM 1240 C23 CQF A 162 11.519 70.481 -4.738 1.00 0.04 C HETATM 1241 C24 CQF A 162 12.892 70.996 -5.110 1.00 -0.04 C HETATM 1242 C25 CQF A 162 14.044 70.685 -4.193 1.00 -0.06 C HETATM 1243 C26 CQF A 162 13.760 69.879 -2.945 1.00 0.03 C HETATM 1244 C27 CQF A 162 12.389 69.381 -2.566 1.00 -0.06 C HETATM 1245 C28 CQF A 162 11.240 69.685 -3.485 1.00 -0.04 C HETATM 1246 H20 CQF A 162 10.238 69.342 -3.255 1.00 0.05 H HETATM 1247 H19 CQF A 162 12.236 68.817 -1.653 1.00 0.06 H HETATM 1248 CL2 CQF A 162 15.090 69.513 -1.875 1.00 -0.08 CL HETATM 1249 H18 CQF A 162 15.047 71.028 -4.420 1.00 0.06 H HETATM 1250 H17 CQF A 162 13.042 71.575 -6.014 1.00 0.05 H HETATM 1251 H21 CQF A 162 10.590 71.532 -6.341 1.00 0.18 H HETATM 1252 H4 CQF A 162 9.404 69.029 -5.304 1.00 0.07 H HETATM 1253 H5 CQF A 162 9.029 69.363 -7.554 1.00 0.03 H HETATM 1254 H6 CQF A 162 8.855 71.142 -7.372 1.00 0.03 H HETATM 1255 H7 CQF A 162 6.759 69.864 -7.960 1.00 0.05 H HETATM 1256 H8 CQF A 162 6.659 70.940 -6.526 1.00 0.05 H HETATM 1257 N12 CQF A 162 6.168 67.634 -6.441 1.00 -0.28 N HETATM 1258 N13 CQF A 162 5.864 66.965 -5.291 1.00 -0.28 N HETATM 1259 C14 CQF A 162 6.138 67.732 -4.257 1.00 0.14 C HETATM 1260 C15 CQF A 162 5.952 67.391 -2.788 1.00 0.02 C HETATM 1261 H9 CQF A 162 5.544 66.374 -2.697 1.00 0.05 H HETATM 1262 H10 CQF A 162 5.255 68.108 -2.330 1.00 0.05 H HETATM 1263 H11 CQF A 162 6.923 67.444 -2.273 1.00 0.05 H HETATM 1264 H2 CQF A 162 9.793 72.401 -3.983 1.00 0.05 H HETATM 1265 C16 CQF A 162 8.416 73.727 -1.874 1.00 -0.01 C HETATM 1266 C17 CQF A 162 7.901 74.142 -0.686 1.00 0.06 C HETATM 1267 N18 CQF A 162 8.559 75.241 -0.341 1.00 -0.21 N HETATM 1268 C21 CQF A 162 8.338 76.030 0.858 1.00 0.06 C HETATM 1269 H14 CQF A 162 9.034 76.882 0.870 1.00 0.06 H HETATM 1270 H15 CQF A 162 8.510 75.404 1.746 1.00 0.06 H HETATM 1271 H16 CQF A 162 7.303 76.402 0.866 1.00 0.06 H HETATM 1272 N19 CQF A 162 9.504 75.510 -1.320 1.00 -0.21 N HETATM 1273 C20 CQF A 162 9.414 74.571 -2.252 1.00 0.00 C HETATM 1274 H13 CQF A 162 10.024 74.491 -3.151 1.00 0.07 H HETATM 1275 H12 CQF A 162 7.100 73.663 -0.124 1.00 0.10 H HETATM 1276 H1 CQF A 162 6.036 72.298 -1.400 1.00 0.05 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1227 1228 1232 1276 CONECT 1228 1227 1229 1265 CONECT 1229 1228 1230 1264 CONECT 1230 1229 1231 1238 CONECT 1231 1230 1232 1234 CONECT 1232 1227 1231 1233 CONECT 1233 1232 CONECT 1234 1231 1235 1259 CONECT 1235 1234 1236 1257 CONECT 1236 1235 1237 1255 1256 CONECT 1237 1236 1238 1253 1254 CONECT 1238 1230 1237 1239 1252 CONECT 1239 1238 1240 1251 CONECT 1240 1239 1241 1245 CONECT 1241 1240 1242 1250 CONECT 1242 1241 1243 1249 CONECT 1243 1242 1244 1248 CONECT 1244 1243 1245 1247 CONECT 1245 1240 1244 1246 CONECT 1246 1245 CONECT 1247 1244 CONECT 1248 1243 CONECT 1249 1242 CONECT 1250 1241 CONECT 1251 1239 CONECT 1252 1238 CONECT 1253 1237 CONECT 1254 1237 CONECT 1255 1236 CONECT 1256 1236 CONECT 1257 1235 1258 CONECT 1258 1257 1259 CONECT 1259 1234 1258 1260 CONECT 1260 1259 1261 1262 1263 CONECT 1261 1260 CONECT 1262 1260 CONECT 1263 1260 CONECT 1264 1229 CONECT 1265 1228 1266 1273 CONECT 1266 1265 1267 1275 CONECT 1267 1266 1268 1272 CONECT 1268 1267 1269 1270 1271 CONECT 1269 1268 CONECT 1270 1268 CONECT 1271 1268 CONECT 1272 1267 1273 CONECT 1273 1265 1272 1274 CONECT 1274 1273 CONECT 1275 1266 CONECT 1276 1227 MASTER 0 0 0 0 0 0 0 0 1275 1 54 9 END
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Related entries of code: 6k04
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
115aa, >6FFG_1|Chain... at 97%
6fff
RCSB PDB
PDBbind
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6ffe
RCSB PDB
PDBbind
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RCSB PDB
PDBbind
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
6k05
RCSB PDB
PDBbind
CQF
Entry Information
PDB ID
6k04
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
BRD2(BD2)
Ligand Name
CQF
EC.Number
E.C.-.-.-.-
Resolution
1.25(Å)
Affinity (Kd/Ki/IC50)
Ki=9.1nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Eur.J.Med.Chem. Vol. 182: pp. 111633-111633
Ligand Properties
Formula
C
2
2
H
2
1
ClN
6
Molecular Weight
404.895
Exact Mass
404.152
No. of atoms
50
No. of bonds
54
Polar Surface Area
60.56
LOGP Value
3.99 (
Computed with XLOGP3
)
4.80 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 5
Canonical SMILES
Clc1ccc(cc1)N[C@@H]1CCc2n(c3c1cc(cc3)c1cnn(c1)C)c(nn2)C
InChI String
InChI=1S/C22H21ClN6/c1-14-26-27-22-10-8-20(25-18-6-4-17(23)5-7-18)19-11-15(3-9-21(19)29(14)22)16-12-24-28(2)13-16/h3-7,9,11-13,20,25H,8,10H2,1-2H3/t20-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P25440
Entrez Gene ID
NCBI Entrez Gene ID:
6046
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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