Browse entries in the PDBbind-CN Database
HEADER 4WHH_COMPLEX COMPND 4WHH_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 125 HIS LEU SER ASP MET LEU GLN GLN LEU HIS SER VAL ASN SEQRES 2 A 125 ALA SER LYS PRO SER GLU ARG GLY LEU VAL ARG GLN GLU SEQRES 3 A 125 GLU ALA GLU ASP PRO ALA CYS ILE PRO ILE PHE TRP VAL SEQRES 4 A 125 SER LYS TRP VAL ASP TYR SER ASP LYS TYR GLY LEU GLY SEQRES 5 A 125 TYR GLN LEU CYS ASP ASN SER VAL GLY VAL LEU PHE ASN SEQRES 6 A 125 ASP SER THR ARG LEU ILE LEU TYR ASN ASP GLY ASP SER SEQRES 7 A 125 LEU GLN TYR ILE GLU ARG ASP GLY THR GLU SER TYR LEU SEQRES 8 A 125 THR VAL SER SER HIS PRO ASN SER LEU MET LYS LYS ILE SEQRES 9 A 125 THR LEU LEU LYS TYR PHE ARG ASN TYR MET SER GLU HIS SEQRES 10 A 125 LEU LEU LYS ALA GLY ALA ASN ILE SEQRES 1 A 85 LEU PRO TYR LEU ARG THR TRP PHE ARG THR ARG SER ALA SEQRES 2 A 85 ILE ILE LEU HIS LEU SER ASN GLY SER VAL GLN ILE ASN SEQRES 3 A 85 PHE PHE GLN ASP HIS THR LYS LEU ILE LEU CYS PRO LEU SEQRES 4 A 85 MET ALA ALA VAL THR TYR ILE ASP GLU LYS ARG ASP PHE SEQRES 5 A 85 ARG THR TYR ARG LEU SER LEU LEU GLU GLU TYR GLY CYS SEQRES 6 A 85 CYS LYS GLU LEU ALA SER ARG LEU ARG TYR ALA ARG THR SEQRES 7 A 85 MET VAL ASP LYS LEU LEU SER HET QAC A 258 109 ATOM 1 N HIS A 373 -12.433 -5.969 -1.385 1.00 53.37 N ATOM 2 CA HIS A 373 -11.440 -5.596 -2.414 1.00 50.14 C ATOM 3 C HIS A 373 -10.735 -4.285 -2.073 1.00 40.16 C ATOM 4 O HIS A 373 -9.538 -4.160 -2.350 1.00 40.28 O ATOM 5 CB HIS A 373 -12.080 -5.494 -3.792 1.00 54.70 C ATOM 6 CG HIS A 373 -12.446 -6.817 -4.369 1.00 63.85 C ATOM 7 ND1 HIS A 373 -11.558 -7.869 -4.422 1.00 67.02 N ATOM 8 CD2 HIS A 373 -13.607 -7.267 -4.905 1.00 69.92 C ATOM 9 CE1 HIS A 373 -12.155 -8.913 -4.970 1.00 71.27 C ATOM 10 NE2 HIS A 373 -13.395 -8.571 -5.280 1.00 74.36 N ATOM 11 HN3 HIS A 373 -13.152 -5.221 -1.311 1.00 0.00 H ATOM 12 HN2 HIS A 373 -11.955 -6.084 -0.469 1.00 0.00 H ATOM 13 HN1 HIS A 373 -12.889 -6.864 -1.654 1.00 0.00 H ATOM 14 N LEU A 374 -11.461 -3.327 -1.502 1.00 38.01 N ATOM 15 CA LEU A 374 -10.850 -2.054 -1.079 1.00 38.14 C ATOM 16 C LEU A 374 -9.788 -2.284 -0.042 1.00 34.25 C ATOM 17 O LEU A 374 -8.721 -1.622 -0.056 1.00 30.30 O ATOM 18 CB LEU A 374 -11.826 -1.061 -0.480 1.00 42.49 C ATOM 19 CG LEU A 374 -12.425 0.017 -1.360 1.00 46.21 C ATOM 20 CD1 LEU A 374 -13.315 0.892 -0.501 1.00 43.99 C ATOM 21 CD2 LEU A 374 -11.362 0.835 -2.095 1.00 47.06 C ATOM 22 H LEU A 374 -12.479 -3.479 -1.351 1.00 0.00 H ATOM 23 N SER A 375 -10.070 -3.167 0.900 1.00 33.08 N ATOM 24 CA SER A 375 -9.031 -3.517 1.907 1.00 35.09 C ATOM 25 C SER A 375 -7.777 -4.142 1.276 1.00 31.01 C ATOM 26 O SER A 375 -6.629 -3.806 1.656 1.00 28.76 O ATOM 27 CB SER A 375 -9.601 -4.471 2.996 1.00 36.70 C ATOM 28 OG SER A 375 -10.072 -3.645 4.025 1.00 43.70 O ATOM 29 HG SER A 375 -10.448 -4.205 4.750 1.00 0.00 H ATOM 30 H SER A 375 -11.009 -3.613 0.937 1.00 0.00 H ATOM 31 N ASP A 376 -7.990 -4.995 0.278 1.00 29.31 N ATOM 32 CA ASP A 376 -6.885 -5.558 -0.439 1.00 30.71 C ATOM 33 C ASP A 376 -6.070 -4.478 -1.158 1.00 28.99 C ATOM 34 O ASP A 376 -4.852 -4.528 -1.194 1.00 27.75 O ATOM 35 CB ASP A 376 -7.352 -6.588 -1.470 1.00 36.91 C ATOM 36 CG ASP A 376 -8.003 -7.830 -0.827 1.00 43.39 C ATOM 37 OD1 ASP A 376 -7.316 -8.559 -0.077 1.00 46.57 O ATOM 38 OD2 ASP A 376 -9.211 -8.072 -1.074 1.00 59.69 O ATOM 39 H ASP A 376 -8.963 -5.254 0.017 1.00 0.00 H ATOM 40 N MET A 377 -6.745 -3.534 -1.779 1.00 29.68 N ATOM 41 CA MET A 377 -6.017 -2.417 -2.461 1.00 25.81 C ATOM 42 C MET A 377 -5.155 -1.623 -1.452 1.00 24.60 C ATOM 43 O MET A 377 -4.021 -1.231 -1.736 1.00 25.73 O ATOM 44 CB MET A 377 -6.996 -1.488 -3.041 1.00 28.99 C ATOM 45 CG MET A 377 -6.405 -0.280 -3.664 1.00 35.52 C ATOM 46 SD MET A 377 -5.591 -0.779 -5.143 1.00 55.83 S ATOM 47 CE MET A 377 -4.011 -1.437 -4.675 1.00 51.63 C ATOM 48 H MET A 377 -7.784 -3.564 -1.796 1.00 0.00 H ATOM 49 N LEU A 378 -5.722 -1.348 -0.284 1.00 23.06 N ATOM 50 CA LEU A 378 -4.962 -0.699 0.779 1.00 23.23 C ATOM 51 C LEU A 378 -3.689 -1.449 1.149 1.00 23.22 C ATOM 52 O LEU A 378 -2.619 -0.827 1.259 1.00 26.45 O ATOM 53 CB LEU A 378 -5.859 -0.501 1.984 1.00 25.06 C ATOM 54 CG LEU A 378 -5.119 0.099 3.155 1.00 26.87 C ATOM 55 CD1 LEU A 378 -4.815 1.560 2.865 1.00 30.69 C ATOM 56 CD2 LEU A 378 -6.037 -0.003 4.379 1.00 27.15 C ATOM 57 H LEU A 378 -6.719 -1.598 -0.125 1.00 0.00 H ATOM 58 N GLN A 379 -3.747 -2.789 1.317 1.00 22.39 N ATOM 59 CA GLN A 379 -2.569 -3.592 1.646 1.00 22.34 C ATOM 60 C GLN A 379 -1.544 -3.632 0.527 1.00 23.67 C ATOM 61 O GLN A 379 -0.344 -3.574 0.755 1.00 23.11 O ATOM 62 CB GLN A 379 -3.004 -5.013 2.001 1.00 26.83 C ATOM 63 CG GLN A 379 -3.781 -4.958 3.304 1.00 29.59 C ATOM 64 CD GLN A 379 -4.052 -6.310 3.915 1.00 41.64 C ATOM 65 OE1 GLN A 379 -4.026 -7.333 3.246 1.00 46.63 O ATOM 66 NE2 GLN A 379 -4.325 -6.309 5.217 1.00 55.23 N ATOM 67 HE22 GLN A 379 -4.336 -5.413 5.745 1.00 0.00 H ATOM 68 HE21 GLN A 379 -4.528 -7.204 5.706 1.00 0.00 H ATOM 69 H GLN A 379 -4.664 -3.267 1.208 1.00 0.00 H ATOM 70 N GLN A 380 -2.037 -3.655 -0.696 1.00 24.69 N ATOM 71 CA GLN A 380 -1.177 -3.616 -1.880 1.00 25.01 C ATOM 72 C GLN A 380 -0.403 -2.328 -1.986 1.00 20.59 C ATOM 73 O GLN A 380 0.827 -2.385 -2.148 1.00 25.30 O ATOM 74 CB GLN A 380 -2.015 -3.868 -3.159 1.00 26.23 C ATOM 75 CG GLN A 380 -2.652 -5.254 -3.256 1.00 29.91 C ATOM 76 CD GLN A 380 -3.699 -5.395 -4.398 1.00 33.01 C ATOM 77 OE1 GLN A 380 -4.003 -4.458 -5.145 1.00 33.17 O ATOM 78 NE2 GLN A 380 -4.269 -6.544 -4.494 1.00 33.84 N ATOM 79 HE22 GLN A 380 -3.995 -7.316 -3.853 1.00 0.00 H ATOM 80 HE21 GLN A 380 -5.004 -6.701 -5.213 1.00 0.00 H ATOM 81 H GLN A 380 -3.068 -3.702 -0.823 1.00 0.00 H ATOM 82 N LEU A 381 -1.092 -1.186 -1.862 1.00 21.66 N ATOM 83 CA LEU A 381 -0.484 0.123 -1.845 1.00 20.86 C ATOM 84 C LEU A 381 0.488 0.281 -0.729 1.00 24.00 C ATOM 85 O LEU A 381 1.584 0.830 -0.884 1.00 24.30 O ATOM 86 CB LEU A 381 -1.497 1.234 -1.799 1.00 22.35 C ATOM 87 CG LEU A 381 -2.349 1.384 -3.057 1.00 25.30 C ATOM 88 CD1 LEU A 381 -3.477 2.343 -2.846 1.00 26.82 C ATOM 89 CD2 LEU A 381 -1.438 1.789 -4.192 1.00 27.13 C ATOM 90 H LEU A 381 -2.126 -1.246 -1.773 1.00 0.00 H ATOM 91 N HIS A 382 0.089 -0.183 0.441 1.00 22.24 N ATOM 92 CA HIS A 382 1.011 -0.166 1.537 1.00 23.28 C ATOM 93 C HIS A 382 2.291 -0.891 1.401 1.00 24.55 C ATOM 94 O HIS A 382 3.328 -0.377 1.784 1.00 26.48 O ATOM 95 CB HIS A 382 0.272 -0.692 2.742 1.00 34.67 C ATOM 96 CG HIS A 382 -0.407 0.375 3.420 1.00 38.75 C ATOM 97 ND1 HIS A 382 -1.679 0.756 3.136 1.00 49.48 N ATOM 98 CD2 HIS A 382 0.076 1.263 4.330 1.00 70.30 C ATOM 99 CE1 HIS A 382 -1.993 1.806 3.894 1.00 75.68 C ATOM 100 NE2 HIS A 382 -0.939 2.142 4.619 1.00 74.81 N ATOM 101 H HIS A 382 -0.875 -0.553 0.564 1.00 0.00 H ATOM 102 N SER A 383 2.229 -2.110 0.890 1.00 26.08 N ATOM 103 CA SER A 383 3.380 -2.901 0.619 1.00 30.54 C ATOM 104 C SER A 383 4.323 -2.216 -0.422 1.00 31.16 C ATOM 105 O SER A 383 5.520 -2.147 -0.207 1.00 26.02 O ATOM 106 CB SER A 383 2.896 -4.260 0.145 1.00 32.81 C ATOM 107 OG SER A 383 3.978 -5.098 -0.038 1.00 43.52 O ATOM 108 HG SER A 383 4.584 -4.709 -0.717 1.00 0.00 H ATOM 109 H SER A 383 1.293 -2.509 0.676 1.00 0.00 H ATOM 110 N VAL A 384 3.763 -1.643 -1.492 1.00 29.34 N ATOM 111 CA VAL A 384 4.583 -0.857 -2.425 1.00 29.67 C ATOM 112 C VAL A 384 5.214 0.351 -1.730 1.00 28.99 C ATOM 113 O VAL A 384 6.377 0.538 -1.850 1.00 32.05 O ATOM 114 CB VAL A 384 3.834 -0.484 -3.750 1.00 33.19 C ATOM 115 CG1 VAL A 384 2.490 0.111 -3.467 1.00 44.88 C ATOM 116 CG2 VAL A 384 4.658 0.496 -4.591 1.00 36.84 C ATOM 117 H VAL A 384 2.743 -1.754 -1.665 1.00 0.00 H ATOM 118 N ASN A 385 4.456 1.145 -0.981 1.00 27.34 N ATOM 119 CA ASN A 385 4.967 2.418 -0.424 1.00 28.55 C ATOM 120 C ASN A 385 5.985 2.139 0.713 1.00 32.68 C ATOM 121 O ASN A 385 6.929 2.890 0.916 1.00 29.27 O ATOM 122 CB ASN A 385 3.846 3.310 0.148 1.00 28.87 C ATOM 123 CG ASN A 385 2.819 3.849 -0.901 1.00 29.68 C ATOM 124 OD1 ASN A 385 1.710 4.279 -0.540 1.00 30.75 O ATOM 125 ND2 ASN A 385 3.166 3.811 -2.134 1.00 27.77 N ATOM 126 HD22 ASN A 385 4.102 3.445 -2.400 1.00 0.00 H ATOM 127 HD21 ASN A 385 2.511 4.147 -2.869 1.00 0.00 H ATOM 128 H ASN A 385 3.475 0.864 -0.780 1.00 0.00 H ATOM 129 N ALA A 386 5.828 1.009 1.404 1.00 35.13 N ATOM 130 CA ALA A 386 6.715 0.657 2.541 1.00 38.40 C ATOM 131 C ALA A 386 8.060 0.224 2.081 1.00 43.03 C ATOM 132 O ALA A 386 9.052 0.364 2.806 1.00 45.69 O ATOM 133 CB ALA A 386 6.130 -0.448 3.389 1.00 36.97 C ATOM 134 H ALA A 386 5.063 0.356 1.139 1.00 0.00 H ATOM 135 N SER A 387 8.091 -0.279 0.861 1.00 43.47 N ATOM 136 CA SER A 387 9.306 -0.631 0.204 1.00 42.21 C ATOM 137 C SER A 387 10.071 0.619 -0.254 1.00 43.47 C ATOM 138 O SER A 387 11.179 0.502 -0.743 1.00 42.72 O ATOM 139 CB SER A 387 8.985 -1.527 -0.988 1.00 41.80 C ATOM 140 OG SER A 387 8.556 -0.775 -2.104 1.00 40.42 O ATOM 141 HG SER A 387 7.740 -0.268 -1.865 1.00 0.00 H ATOM 142 H SER A 387 7.192 -0.424 0.359 1.00 0.00 H ATOM 143 N LYS A 388 9.476 1.805 -0.110 1.00 44.97 N ATOM 144 CA LYS A 388 10.122 3.087 -0.440 1.00 40.47 C ATOM 145 C LYS A 388 10.594 3.042 -1.907 1.00 38.26 C ATOM 146 O LYS A 388 11.792 3.069 -2.218 1.00 39.47 O ATOM 147 CB LYS A 388 11.254 3.400 0.563 1.00 44.70 C ATOM 148 CG LYS A 388 10.859 3.154 2.032 1.00 47.87 C ATOM 149 CD LYS A 388 11.624 4.032 3.025 1.00 56.71 C ATOM 150 H LYS A 388 8.503 1.825 0.255 1.00 0.00 H ATOM 151 N PRO A 389 9.637 3.014 -2.830 1.00 34.83 N ATOM 152 CA PRO A 389 10.029 2.719 -4.196 1.00 34.97 C ATOM 153 C PRO A 389 10.914 3.769 -4.857 1.00 34.69 C ATOM 154 O PRO A 389 11.706 3.379 -5.705 1.00 35.44 O ATOM 155 CB PRO A 389 8.688 2.526 -4.925 1.00 32.80 C ATOM 156 CG PRO A 389 7.678 3.256 -4.097 1.00 34.17 C ATOM 157 CD PRO A 389 8.190 3.237 -2.696 1.00 33.91 C ATOM 158 N SER A 390 10.781 5.074 -4.518 1.00 36.37 N ATOM 159 CA SER A 390 11.643 6.080 -5.132 1.00 36.36 C ATOM 160 C SER A 390 13.036 6.154 -4.499 1.00 39.94 C ATOM 161 O SER A 390 13.905 6.851 -5.065 1.00 36.66 O ATOM 162 CB SER A 390 10.990 7.489 -5.157 1.00 37.81 C ATOM 163 OG SER A 390 10.655 7.902 -3.835 1.00 42.64 O ATOM 164 HG SER A 390 10.017 7.256 -3.441 1.00 0.00 H ATOM 165 H SER A 390 10.065 5.359 -3.820 1.00 0.00 H ATOM 166 N GLU A 391 13.249 5.492 -3.354 1.00 39.09 N ATOM 167 CA GLU A 391 14.560 5.510 -2.642 1.00 47.51 C ATOM 168 C GLU A 391 15.426 4.277 -2.938 1.00 50.90 C ATOM 169 O GLU A 391 16.358 4.015 -2.188 1.00 53.64 O ATOM 170 CB GLU A 391 14.398 5.546 -1.086 1.00 46.06 C ATOM 171 CG GLU A 391 13.510 6.626 -0.453 1.00 49.79 C ATOM 172 CD GLU A 391 13.394 6.460 1.098 1.00 43.51 C ATOM 173 H GLU A 391 12.467 4.942 -2.944 1.00 0.00 H ATOM 174 N ARG A 392 15.116 3.474 -3.960 1.00 52.81 N ATOM 175 CA ARG A 392 15.879 2.236 -4.177 1.00 51.21 C ATOM 176 C ARG A 392 17.222 2.548 -4.853 1.00 55.86 C ATOM 177 O ARG A 392 17.356 3.567 -5.547 1.00 53.75 O ATOM 178 CB ARG A 392 15.054 1.153 -4.912 1.00 57.50 C ATOM 179 CG ARG A 392 14.355 0.159 -3.938 1.00 61.29 C ATOM 180 CD ARG A 392 15.280 -1.006 -3.528 1.00 64.62 C ATOM 181 NE ARG A 392 16.457 -0.633 -2.690 1.00 63.33 N ATOM 182 CZ ARG A 392 17.538 -1.396 -2.493 1.00 49.86 C ATOM 183 NH1 ARG A 392 17.661 -2.595 -3.034 1.00 56.54 N ATOM 184 NH2 ARG A 392 18.497 -0.962 -1.736 1.00 57.38 N ATOM 185 HE ARG A 392 16.435 0.295 -2.221 1.00 0.00 H ATOM 186 HH12 ARG A 392 18.517 -3.160 -2.858 1.00 0.00 H ATOM 187 HH11 ARG A 392 16.902 -2.974 -3.636 1.00 0.00 H ATOM 188 HH22 ARG A 392 19.341 -1.549 -1.578 1.00 0.00 H ATOM 189 HH21 ARG A 392 18.422 -0.027 -1.287 1.00 0.00 H ATOM 190 H ARG A 392 14.336 3.724 -4.601 1.00 0.00 H ATOM 191 N GLY A 393 18.213 1.695 -4.594 1.00 53.07 N ATOM 192 CA GLY A 393 19.582 1.876 -5.103 1.00 53.47 C ATOM 193 C GLY A 393 19.647 2.117 -6.603 1.00 47.69 C ATOM 194 O GLY A 393 20.352 3.026 -7.063 1.00 48.94 O ATOM 195 H GLY A 393 18.009 0.863 -4.005 1.00 0.00 H ATOM 196 N LEU A 394 18.938 1.294 -7.369 1.00 36.61 N ATOM 197 CA LEU A 394 18.661 1.654 -8.740 1.00 34.62 C ATOM 198 C LEU A 394 17.232 1.273 -9.018 1.00 33.69 C ATOM 199 O LEU A 394 16.880 0.078 -9.187 1.00 30.45 O ATOM 200 CB LEU A 394 19.586 0.994 -9.717 1.00 35.38 C ATOM 201 CG LEU A 394 19.371 1.416 -11.183 1.00 39.10 C ATOM 202 CD1 LEU A 394 19.496 2.920 -11.370 1.00 39.35 C ATOM 203 CD2 LEU A 394 20.346 0.669 -12.065 1.00 41.49 C ATOM 204 H LEU A 394 18.584 0.395 -6.983 1.00 0.00 H ATOM 205 N VAL A 395 16.412 2.316 -9.040 1.00 35.02 N ATOM 206 CA VAL A 395 14.999 2.235 -9.431 1.00 32.64 C ATOM 207 C VAL A 395 14.936 1.841 -10.890 1.00 35.54 C ATOM 208 O VAL A 395 15.612 2.460 -11.739 1.00 35.10 O ATOM 209 CB VAL A 395 14.325 3.607 -9.249 1.00 35.47 C ATOM 210 CG1 VAL A 395 13.018 3.686 -10.044 1.00 35.46 C ATOM 211 CG2 VAL A 395 14.164 3.920 -7.781 1.00 35.14 C ATOM 212 H VAL A 395 16.792 3.244 -8.764 1.00 0.00 H ATOM 213 N ARG A 396 14.111 0.846 -11.189 1.00 30.38 N ATOM 214 CA ARG A 396 13.944 0.360 -12.541 1.00 33.61 C ATOM 215 C ARG A 396 12.424 0.227 -12.813 1.00 32.57 C ATOM 216 O ARG A 396 11.904 -0.877 -12.951 1.00 27.56 O ATOM 217 CB ARG A 396 14.684 -0.964 -12.760 1.00 33.54 C ATOM 218 CG ARG A 396 16.220 -0.919 -12.640 1.00 38.22 C ATOM 219 CD ARG A 396 16.918 -0.141 -13.768 1.00 39.25 C ATOM 220 NE ARG A 396 17.203 -0.932 -14.958 1.00 45.37 N ATOM 221 HE ARG A 396 16.936 -1.937 -14.991 1.00 0.00 H ATOM 222 H ARG A 396 13.565 0.400 -10.424 1.00 0.00 H ATOM 223 N GLN A 397 11.749 1.391 -12.905 1.00 33.78 N ATOM 224 CA GLN A 397 10.293 1.502 -13.084 1.00 36.18 C ATOM 225 C GLN A 397 9.828 0.732 -14.318 1.00 33.59 C ATOM 226 O GLN A 397 8.794 0.076 -14.292 1.00 29.46 O ATOM 227 CB GLN A 397 9.859 2.972 -13.261 1.00 34.78 C ATOM 228 CG GLN A 397 8.363 3.163 -13.149 1.00 40.55 C ATOM 229 CD GLN A 397 7.882 4.620 -13.178 1.00 44.08 C ATOM 230 OE1 GLN A 397 6.934 4.971 -13.883 1.00 46.65 O ATOM 231 NE2 GLN A 397 8.492 5.444 -12.400 1.00 44.50 N ATOM 232 HE22 GLN A 397 9.289 5.116 -11.818 1.00 0.00 H ATOM 233 HE21 GLN A 397 8.188 6.438 -12.354 1.00 0.00 H ATOM 234 H GLN A 397 12.297 2.273 -12.845 1.00 0.00 H ATOM 235 N GLU A 398 10.601 0.828 -15.400 1.00 31.16 N ATOM 236 CA GLU A 398 10.288 0.087 -16.654 1.00 34.79 C ATOM 237 C GLU A 398 10.123 -1.457 -16.467 1.00 29.92 C ATOM 238 O GLU A 398 9.364 -2.096 -17.156 1.00 29.33 O ATOM 239 CB GLU A 398 11.355 0.432 -17.740 1.00 39.18 C ATOM 240 CG GLU A 398 11.561 1.959 -18.043 1.00 44.71 C ATOM 241 CD GLU A 398 12.486 2.815 -17.068 1.00 46.87 C ATOM 242 OE1 GLU A 398 12.626 4.051 -17.305 1.00 46.74 O ATOM 243 OE2 GLU A 398 13.113 2.307 -16.103 1.00 45.27 O ATOM 244 H GLU A 398 11.444 1.436 -15.368 1.00 0.00 H ATOM 245 N GLU A 399 10.833 -2.068 -15.515 1.00 32.27 N ATOM 246 CA GLU A 399 10.692 -3.516 -15.234 1.00 34.89 C ATOM 247 C GLU A 399 9.275 -3.892 -14.771 1.00 32.63 C ATOM 248 O GLU A 399 8.871 -5.025 -14.918 1.00 28.93 O ATOM 249 CB GLU A 399 11.659 -4.016 -14.137 1.00 39.74 C ATOM 250 CG GLU A 399 13.100 -4.237 -14.532 1.00 46.91 C ATOM 251 CD GLU A 399 13.291 -5.115 -15.771 1.00 44.41 C ATOM 252 OE1 GLU A 399 12.626 -6.150 -15.961 1.00 45.33 O ATOM 253 OE2 GLU A 399 14.109 -4.737 -16.576 1.00 44.58 O ATOM 254 H GLU A 399 11.507 -1.509 -14.953 1.00 0.00 H ATOM 255 N ALA A 400 8.535 -2.940 -14.220 1.00 28.75 N ATOM 256 CA ALA A 400 7.178 -3.177 -13.717 1.00 29.85 C ATOM 257 C ALA A 400 6.085 -2.960 -14.729 1.00 31.00 C ATOM 258 O ALA A 400 4.917 -3.174 -14.436 1.00 30.92 O ATOM 259 CB ALA A 400 6.940 -2.293 -12.489 1.00 33.99 C ATOM 260 H ALA A 400 8.934 -1.983 -14.141 1.00 0.00 H ATOM 261 N GLU A 401 6.442 -2.560 -15.953 1.00 30.59 N ATOM 262 CA GLU A 401 5.455 -2.357 -16.992 1.00 34.22 C ATOM 263 C GLU A 401 4.691 -3.660 -17.317 1.00 42.40 C ATOM 264 O GLU A 401 5.279 -4.772 -17.333 1.00 42.95 O ATOM 265 CB GLU A 401 6.098 -1.756 -18.236 1.00 40.90 C ATOM 266 CG GLU A 401 6.511 -0.325 -18.019 1.00 43.22 C ATOM 267 CD GLU A 401 7.240 0.274 -19.222 1.00 60.11 C ATOM 268 OE1 GLU A 401 7.213 -0.339 -20.315 1.00 56.70 O ATOM 269 OE2 GLU A 401 7.840 1.380 -19.078 1.00 69.07 O ATOM 270 H GLU A 401 7.447 -2.392 -16.163 1.00 0.00 H ATOM 271 N ASP A 402 3.361 -3.530 -17.496 1.00 35.15 N ATOM 272 CA ASP A 402 2.552 -4.661 -17.856 1.00 38.05 C ATOM 273 C ASP A 402 1.376 -4.125 -18.635 1.00 36.74 C ATOM 274 O ASP A 402 0.294 -3.994 -18.065 1.00 33.59 O ATOM 275 CB ASP A 402 2.098 -5.472 -16.620 1.00 40.78 C ATOM 276 CG ASP A 402 1.553 -6.876 -17.015 1.00 43.07 C ATOM 277 OD1 ASP A 402 1.230 -7.082 -18.244 1.00 45.18 O ATOM 278 OD2 ASP A 402 1.452 -7.737 -16.097 1.00 48.53 O ATOM 279 H ASP A 402 2.915 -2.599 -17.372 1.00 0.00 H ATOM 280 N PRO A 403 1.584 -3.827 -19.919 1.00 45.61 N ATOM 281 CA PRO A 403 0.557 -3.160 -20.745 1.00 50.69 C ATOM 282 C PRO A 403 -0.708 -3.995 -20.913 1.00 49.77 C ATOM 283 O PRO A 403 -1.757 -3.435 -21.230 1.00 59.08 O ATOM 284 CB PRO A 403 1.262 -2.924 -22.104 1.00 49.32 C ATOM 285 CG PRO A 403 2.678 -3.310 -21.904 1.00 48.97 C ATOM 286 CD PRO A 403 2.736 -4.246 -20.734 1.00 49.42 C ATOM 287 N ALA A 404 -0.639 -5.310 -20.682 1.00 48.74 N ATOM 288 CA ALA A 404 -1.846 -6.137 -20.701 1.00 51.49 C ATOM 289 C ALA A 404 -2.723 -6.025 -19.447 1.00 47.91 C ATOM 290 O ALA A 404 -3.801 -6.623 -19.369 1.00 51.51 O ATOM 291 CB ALA A 404 -1.487 -7.600 -20.946 1.00 52.07 C ATOM 292 H ALA A 404 0.283 -5.750 -20.487 1.00 0.00 H ATOM 293 N CYS A 405 -2.272 -5.320 -18.430 1.00 39.17 N ATOM 294 CA CYS A 405 -3.115 -5.129 -17.252 1.00 37.94 C ATOM 295 C CYS A 405 -3.919 -3.818 -17.335 1.00 35.67 C ATOM 296 O CYS A 405 -4.449 -3.372 -16.295 1.00 31.16 O ATOM 297 CB CYS A 405 -2.259 -5.154 -15.982 1.00 45.84 C ATOM 298 SG CYS A 405 -1.646 -6.789 -15.560 1.00 57.23 S ATOM 299 H CYS A 405 -1.321 -4.901 -18.465 1.00 0.00 H ATOM 300 N ILE A 406 -3.988 -3.213 -18.538 1.00 34.89 N ATOM 301 CA ILE A 406 -4.830 -2.012 -18.814 1.00 38.95 C ATOM 302 C ILE A 406 -6.258 -2.265 -18.363 1.00 35.13 C ATOM 303 O ILE A 406 -6.785 -3.359 -18.524 1.00 34.08 O ATOM 304 CB ILE A 406 -4.784 -1.580 -20.308 1.00 45.28 C ATOM 305 CG1 ILE A 406 -3.365 -1.068 -20.649 1.00 55.12 C ATOM 306 CG2 ILE A 406 -5.701 -0.394 -20.570 1.00 45.41 C ATOM 307 CD1 ILE A 406 -2.987 -1.015 -22.132 1.00 58.05 C ATOM 308 H ILE A 406 -3.423 -3.605 -19.318 1.00 0.00 H ATOM 309 N PRO A 407 -6.890 -1.283 -17.714 1.00 30.94 N ATOM 310 CA PRO A 407 -8.258 -1.539 -17.185 1.00 32.33 C ATOM 311 C PRO A 407 -9.261 -1.567 -18.292 1.00 29.08 C ATOM 312 O PRO A 407 -8.992 -1.080 -19.364 1.00 30.31 O ATOM 313 CB PRO A 407 -8.536 -0.380 -16.231 1.00 33.51 C ATOM 314 CG PRO A 407 -7.530 0.626 -16.549 1.00 30.51 C ATOM 315 CD PRO A 407 -6.371 0.028 -17.307 1.00 31.92 C ATOM 316 N ILE A 408 -10.357 -2.267 -18.053 1.00 28.61 N ATOM 317 CA ILE A 408 -11.389 -2.367 -19.040 1.00 30.76 C ATOM 318 C ILE A 408 -12.238 -1.097 -18.981 1.00 28.11 C ATOM 319 O ILE A 408 -12.611 -0.561 -20.016 1.00 30.88 O ATOM 320 CB ILE A 408 -12.269 -3.568 -18.752 1.00 35.22 C ATOM 321 CG1 ILE A 408 -11.373 -4.814 -18.606 1.00 45.81 C ATOM 322 CG2 ILE A 408 -13.289 -3.739 -19.898 1.00 39.27 C ATOM 323 CD1 ILE A 408 -12.124 -6.143 -18.698 1.00 49.68 C ATOM 324 H ILE A 408 -10.470 -2.750 -17.139 1.00 0.00 H ATOM 325 N PHE A 409 -12.426 -0.560 -17.763 1.00 23.94 N ATOM 326 CA PHE A 409 -13.300 0.638 -17.551 1.00 23.93 C ATOM 327 C PHE A 409 -12.589 1.695 -16.736 1.00 26.60 C ATOM 328 O PHE A 409 -11.897 1.369 -15.781 1.00 23.18 O ATOM 329 CB PHE A 409 -14.614 0.304 -16.835 1.00 27.20 C ATOM 330 CG PHE A 409 -15.489 -0.635 -17.587 1.00 24.53 C ATOM 331 CD1 PHE A 409 -16.166 -0.247 -18.722 1.00 29.01 C ATOM 332 CD2 PHE A 409 -15.511 -1.973 -17.224 1.00 29.03 C ATOM 333 CE1 PHE A 409 -16.947 -1.157 -19.441 1.00 31.94 C ATOM 334 CE2 PHE A 409 -16.275 -2.887 -17.941 1.00 29.64 C ATOM 335 CZ PHE A 409 -16.982 -2.489 -19.052 1.00 28.26 C ATOM 336 H PHE A 409 -11.951 -0.989 -16.944 1.00 0.00 H ATOM 337 N TRP A 410 -12.777 2.979 -17.113 1.00 22.55 N ATOM 338 CA TRP A 410 -12.384 4.063 -16.256 1.00 22.50 C ATOM 339 C TRP A 410 -13.370 5.187 -16.538 1.00 20.98 C ATOM 340 O TRP A 410 -14.160 5.149 -17.505 1.00 21.33 O ATOM 341 CB TRP A 410 -10.905 4.502 -16.530 1.00 20.87 C ATOM 342 CG TRP A 410 -10.611 4.977 -17.915 1.00 21.62 C ATOM 343 CD1 TRP A 410 -10.736 6.239 -18.404 1.00 21.69 C ATOM 344 CD2 TRP A 410 -10.095 4.191 -18.967 1.00 21.45 C ATOM 345 NE1 TRP A 410 -10.354 6.274 -19.731 1.00 24.87 N ATOM 346 CE2 TRP A 410 -9.953 5.018 -20.084 1.00 24.54 C ATOM 347 CE3 TRP A 410 -9.751 2.826 -19.078 1.00 26.74 C ATOM 348 CZ2 TRP A 410 -9.511 4.543 -21.323 1.00 25.85 C ATOM 349 CZ3 TRP A 410 -9.280 2.350 -20.294 1.00 27.04 C ATOM 350 CH2 TRP A 410 -9.126 3.206 -21.394 1.00 28.58 C ATOM 351 HE1 TRP A 410 -10.369 7.109 -20.351 1.00 0.00 H ATOM 352 H TRP A 410 -13.212 3.185 -18.035 1.00 0.00 H ATOM 353 N VAL A 411 -13.323 6.200 -15.680 1.00 20.21 N ATOM 354 CA VAL A 411 -14.198 7.380 -15.826 1.00 17.72 C ATOM 355 C VAL A 411 -13.484 8.373 -16.748 1.00 19.48 C ATOM 356 O VAL A 411 -12.353 8.820 -16.491 1.00 19.85 O ATOM 357 CB VAL A 411 -14.456 8.007 -14.457 1.00 20.14 C ATOM 358 CG1 VAL A 411 -15.203 9.302 -14.591 1.00 22.54 C ATOM 359 CG2 VAL A 411 -15.258 6.993 -13.616 1.00 21.83 C ATOM 360 H VAL A 411 -12.653 6.161 -14.886 1.00 0.00 H ATOM 361 N SER A 412 -14.101 8.620 -17.895 1.00 18.56 N ATOM 362 CA SER A 412 -13.519 9.505 -18.861 1.00 18.92 C ATOM 363 C SER A 412 -13.995 10.996 -18.773 1.00 20.56 C ATOM 364 O SER A 412 -13.298 11.862 -19.302 1.00 20.57 O ATOM 365 CB SER A 412 -13.695 8.874 -20.279 1.00 19.52 C ATOM 366 OG SER A 412 -15.088 8.664 -20.475 1.00 24.50 O ATOM 367 HG SER A 412 -15.430 8.052 -19.776 1.00 0.00 H ATOM 368 H SER A 412 -15.016 8.168 -18.096 1.00 0.00 H ATOM 369 N LYS A 413 -15.155 11.269 -18.134 1.00 19.21 N ATOM 370 CA LYS A 413 -15.718 12.593 -17.926 1.00 19.29 C ATOM 371 C LYS A 413 -16.589 12.541 -16.668 1.00 17.62 C ATOM 372 O LYS A 413 -17.127 11.492 -16.350 1.00 15.93 O ATOM 373 CB LYS A 413 -16.630 13.023 -19.098 1.00 18.92 C ATOM 374 CG LYS A 413 -15.943 13.061 -20.481 1.00 17.54 C ATOM 375 CD LYS A 413 -16.900 13.502 -21.576 1.00 19.13 C ATOM 376 CE LYS A 413 -16.241 13.479 -22.968 1.00 21.34 C ATOM 377 NZ LYS A 413 -17.108 14.040 -24.004 1.00 23.25 N ATOM 378 HZ1 LYS A 413 -17.988 13.487 -24.055 1.00 0.00 H ATOM 379 HZ2 LYS A 413 -17.331 15.028 -23.770 1.00 0.00 H ATOM 380 HZ3 LYS A 413 -16.619 14.002 -24.921 1.00 0.00 H ATOM 381 H LYS A 413 -15.691 10.461 -17.758 1.00 0.00 H ATOM 382 N TRP A 414 -16.726 13.652 -15.976 1.00 18.52 N ATOM 383 CA TRP A 414 -17.602 13.737 -14.792 1.00 19.44 C ATOM 384 C TRP A 414 -18.018 15.171 -14.513 1.00 21.25 C ATOM 385 O TRP A 414 -17.292 16.157 -14.863 1.00 21.93 O ATOM 386 CB TRP A 414 -16.993 13.053 -13.535 1.00 19.64 C ATOM 387 CG TRP A 414 -15.746 13.742 -13.079 1.00 19.53 C ATOM 388 CD1 TRP A 414 -14.480 13.358 -13.382 1.00 18.97 C ATOM 389 CD2 TRP A 414 -15.618 14.859 -12.207 1.00 20.18 C ATOM 390 NE1 TRP A 414 -13.586 14.228 -12.860 1.00 20.04 N ATOM 391 CE2 TRP A 414 -14.252 15.196 -12.180 1.00 22.27 C ATOM 392 CE3 TRP A 414 -16.528 15.738 -11.607 1.00 21.38 C ATOM 393 CZ2 TRP A 414 -13.744 16.266 -11.424 1.00 24.23 C ATOM 394 CZ3 TRP A 414 -16.008 16.843 -10.852 1.00 22.68 C ATOM 395 CH2 TRP A 414 -14.629 17.068 -10.781 1.00 25.52 C ATOM 396 HE1 TRP A 414 -12.553 14.166 -12.963 1.00 0.00 H ATOM 397 H TRP A 414 -16.199 14.498 -16.274 1.00 0.00 H ATOM 398 N VAL A 415 -19.221 15.277 -13.891 1.00 21.00 N ATOM 399 CA VAL A 415 -19.782 16.535 -13.490 1.00 20.45 C ATOM 400 C VAL A 415 -20.382 16.418 -12.071 1.00 20.99 C ATOM 401 O VAL A 415 -21.243 15.591 -11.865 1.00 23.51 O ATOM 402 CB VAL A 415 -20.880 16.967 -14.436 1.00 22.45 C ATOM 403 CG1 VAL A 415 -21.571 18.254 -13.937 1.00 27.63 C ATOM 404 CG2 VAL A 415 -20.353 17.196 -15.829 1.00 23.41 C ATOM 405 H VAL A 415 -19.759 14.408 -13.697 1.00 0.00 H ATOM 406 N ASP A 416 -19.868 17.170 -11.101 1.00 21.07 N ATOM 407 CA ASP A 416 -20.397 17.097 -9.712 1.00 20.74 C ATOM 408 C ASP A 416 -21.498 18.158 -9.551 1.00 24.61 C ATOM 409 O ASP A 416 -21.205 19.361 -9.497 1.00 27.53 O ATOM 410 CB ASP A 416 -19.252 17.245 -8.734 1.00 21.04 C ATOM 411 CG ASP A 416 -19.730 17.601 -7.304 1.00 28.42 C ATOM 412 OD1 ASP A 416 -20.967 17.479 -7.032 1.00 26.59 O ATOM 413 OD2 ASP A 416 -18.846 17.950 -6.509 1.00 31.84 O ATOM 414 H ASP A 416 -19.084 17.819 -11.317 1.00 0.00 H ATOM 415 N TYR A 417 -22.768 17.736 -9.616 1.00 23.73 N ATOM 416 CA TYR A 417 -23.902 18.645 -9.380 1.00 26.95 C ATOM 417 C TYR A 417 -24.643 18.197 -8.134 1.00 23.37 C ATOM 418 O TYR A 417 -25.877 18.120 -8.114 1.00 25.70 O ATOM 419 CB TYR A 417 -24.793 18.661 -10.589 1.00 29.46 C ATOM 420 CG TYR A 417 -25.626 19.908 -10.730 1.00 32.77 C ATOM 421 CD1 TYR A 417 -25.729 20.829 -9.698 1.00 35.95 C ATOM 422 CD2 TYR A 417 -26.355 20.125 -11.875 1.00 35.10 C ATOM 423 CE1 TYR A 417 -26.516 21.967 -9.831 1.00 41.01 C ATOM 424 CE2 TYR A 417 -27.135 21.260 -12.033 1.00 40.52 C ATOM 425 CZ TYR A 417 -27.216 22.183 -10.999 1.00 43.28 C ATOM 426 OH TYR A 417 -28.006 23.309 -11.123 1.00 43.61 O ATOM 427 HH TYR A 417 -27.942 23.848 -10.295 1.00 0.00 H ATOM 428 H TYR A 417 -22.958 16.738 -9.839 1.00 0.00 H ATOM 429 N SER A 418 -23.843 17.827 -7.157 1.00 26.38 N ATOM 430 CA SER A 418 -24.332 17.206 -5.907 1.00 29.06 C ATOM 431 C SER A 418 -25.112 18.203 -4.995 1.00 29.82 C ATOM 432 O SER A 418 -25.836 17.777 -4.113 1.00 31.58 O ATOM 433 CB SER A 418 -23.214 16.528 -5.121 1.00 28.29 C ATOM 434 OG SER A 418 -22.206 17.413 -4.718 1.00 31.93 O ATOM 435 HG SER A 418 -21.798 17.833 -5.517 1.00 0.00 H ATOM 436 H SER A 418 -22.820 17.978 -7.269 1.00 0.00 H ATOM 437 N ASP A 419 -24.972 19.497 -5.209 1.00 29.13 N ATOM 438 CA ASP A 419 -25.882 20.453 -4.515 1.00 38.39 C ATOM 439 C ASP A 419 -27.382 20.250 -4.875 1.00 40.02 C ATOM 440 O ASP A 419 -28.292 20.584 -4.115 1.00 39.47 O ATOM 441 CB ASP A 419 -25.429 21.887 -4.803 1.00 38.98 C ATOM 442 CG ASP A 419 -24.244 22.315 -3.907 1.00 43.71 C ATOM 443 OD1 ASP A 419 -23.620 21.424 -3.292 1.00 48.98 O ATOM 444 OD2 ASP A 419 -23.961 23.530 -3.781 1.00 60.09 O ATOM 445 H ASP A 419 -24.235 19.847 -5.854 1.00 0.00 H ATOM 446 N LYS A 420 -27.645 19.708 -6.049 1.00 33.89 N ATOM 447 CA LYS A 420 -29.021 19.590 -6.514 1.00 33.06 C ATOM 448 C LYS A 420 -29.387 18.144 -6.902 1.00 36.81 C ATOM 449 O LYS A 420 -30.394 17.633 -6.463 1.00 29.57 O ATOM 450 CB LYS A 420 -29.272 20.527 -7.699 1.00 43.01 C ATOM 451 CG LYS A 420 -29.675 21.939 -7.284 1.00 50.99 C ATOM 452 CD LYS A 420 -29.789 22.913 -8.442 1.00 54.23 C ATOM 453 CE LYS A 420 -30.771 22.453 -9.514 1.00 64.33 C ATOM 454 NZ LYS A 420 -32.079 21.919 -9.024 1.00 65.38 N ATOM 455 HZ1 LYS A 420 -31.909 21.093 -8.416 1.00 0.00 H ATOM 456 HZ2 LYS A 420 -32.571 22.656 -8.480 1.00 0.00 H ATOM 457 HZ3 LYS A 420 -32.664 21.638 -9.837 1.00 0.00 H ATOM 458 H LYS A 420 -26.866 19.363 -6.646 1.00 0.00 H ATOM 459 N TYR A 421 -28.553 17.480 -7.705 1.00 30.65 N ATOM 460 CA TYR A 421 -28.953 16.266 -8.360 1.00 30.34 C ATOM 461 C TYR A 421 -28.058 15.045 -8.082 1.00 30.96 C ATOM 462 O TYR A 421 -28.576 13.946 -7.780 1.00 29.57 O ATOM 463 CB TYR A 421 -28.966 16.540 -9.836 1.00 33.31 C ATOM 464 CG TYR A 421 -29.949 17.578 -10.230 1.00 38.68 C ATOM 465 CD1 TYR A 421 -31.300 17.429 -9.922 1.00 41.71 C ATOM 466 CD2 TYR A 421 -29.537 18.738 -10.904 1.00 41.32 C ATOM 467 CE1 TYR A 421 -32.215 18.409 -10.271 1.00 47.19 C ATOM 468 CE2 TYR A 421 -30.451 19.702 -11.283 1.00 46.09 C ATOM 469 CZ TYR A 421 -31.780 19.525 -10.967 1.00 47.50 C ATOM 470 OH TYR A 421 -32.694 20.478 -11.306 1.00 56.59 O ATOM 471 HH TYR A 421 -33.593 20.192 -11.006 1.00 0.00 H ATOM 472 H TYR A 421 -27.593 17.849 -7.860 1.00 0.00 H ATOM 473 N GLY A 422 -26.732 15.247 -8.160 1.00 24.06 N ATOM 474 CA GLY A 422 -25.763 14.187 -7.885 1.00 24.27 C ATOM 475 C GLY A 422 -24.591 14.349 -8.828 1.00 25.47 C ATOM 476 O GLY A 422 -24.364 15.472 -9.343 1.00 26.18 O ATOM 477 H GLY A 422 -26.383 16.190 -8.425 1.00 0.00 H ATOM 478 N LEU A 423 -23.912 13.225 -9.073 1.00 23.64 N ATOM 479 CA LEU A 423 -22.652 13.162 -9.859 1.00 23.08 C ATOM 480 C LEU A 423 -22.932 12.427 -11.120 1.00 20.06 C ATOM 481 O LEU A 423 -23.266 11.252 -11.112 1.00 18.92 O ATOM 482 CB LEU A 423 -21.631 12.406 -9.056 1.00 23.82 C ATOM 483 CG LEU A 423 -20.144 12.273 -9.354 1.00 25.79 C ATOM 484 CD1 LEU A 423 -19.938 11.523 -10.628 1.00 23.21 C ATOM 485 CD2 LEU A 423 -19.366 13.603 -9.261 1.00 23.44 C ATOM 486 H LEU A 423 -24.290 12.336 -8.689 1.00 0.00 H ATOM 487 N GLY A 424 -22.788 13.127 -12.231 1.00 21.39 N ATOM 488 CA GLY A 424 -22.903 12.526 -13.553 1.00 21.23 C ATOM 489 C GLY A 424 -21.551 12.123 -14.098 1.00 20.96 C ATOM 490 O GLY A 424 -20.555 12.782 -13.839 1.00 19.35 O ATOM 491 H GLY A 424 -22.585 14.144 -12.159 1.00 0.00 H ATOM 492 N TYR A 425 -21.474 11.008 -14.847 1.00 22.80 N ATOM 493 CA TYR A 425 -20.139 10.584 -15.375 1.00 22.35 C ATOM 494 C TYR A 425 -20.266 9.812 -16.701 1.00 22.31 C ATOM 495 O TYR A 425 -21.356 9.320 -17.042 1.00 24.13 O ATOM 496 CB TYR A 425 -19.417 9.720 -14.354 1.00 22.95 C ATOM 497 CG TYR A 425 -20.175 8.465 -13.992 1.00 21.29 C ATOM 498 CD1 TYR A 425 -21.174 8.453 -12.970 1.00 22.28 C ATOM 499 CD2 TYR A 425 -19.889 7.279 -14.608 1.00 22.09 C ATOM 500 CE1 TYR A 425 -21.830 7.266 -12.621 1.00 22.84 C ATOM 501 CE2 TYR A 425 -20.589 6.118 -14.306 1.00 23.74 C ATOM 502 CZ TYR A 425 -21.547 6.105 -13.302 1.00 21.30 C ATOM 503 OH TYR A 425 -22.173 4.894 -13.044 1.00 22.93 O ATOM 504 HH TYR A 425 -22.639 4.584 -13.861 1.00 0.00 H ATOM 505 H TYR A 425 -22.327 10.451 -15.055 1.00 0.00 H ATOM 506 N GLN A 426 -19.160 9.771 -17.448 1.00 20.00 N ATOM 507 CA GLN A 426 -19.064 8.960 -18.643 1.00 20.51 C ATOM 508 C GLN A 426 -17.936 7.961 -18.406 1.00 19.32 C ATOM 509 O GLN A 426 -16.862 8.272 -17.848 1.00 21.08 O ATOM 510 CB GLN A 426 -18.733 9.823 -19.832 1.00 23.26 C ATOM 511 CG GLN A 426 -18.732 9.031 -21.134 1.00 23.73 C ATOM 512 CD GLN A 426 -17.988 9.763 -22.236 1.00 31.84 C ATOM 513 OE1 GLN A 426 -18.594 10.171 -23.212 1.00 36.02 O ATOM 514 NE2 GLN A 426 -16.661 9.949 -22.066 1.00 30.61 N ATOM 515 HE22 GLN A 426 -16.189 9.581 -21.215 1.00 0.00 H ATOM 516 HE21 GLN A 426 -16.111 10.460 -22.786 1.00 0.00 H ATOM 517 H GLN A 426 -18.339 10.342 -17.161 1.00 0.00 H ATOM 518 N LEU A 427 -18.162 6.727 -18.777 1.00 18.26 N ATOM 519 CA LEU A 427 -17.103 5.759 -18.745 1.00 18.23 C ATOM 520 C LEU A 427 -16.450 5.732 -20.109 1.00 19.91 C ATOM 521 O LEU A 427 -17.082 6.158 -21.107 1.00 20.08 O ATOM 522 CB LEU A 427 -17.623 4.377 -18.389 1.00 19.29 C ATOM 523 CG LEU A 427 -18.198 4.223 -16.979 1.00 20.01 C ATOM 524 CD1 LEU A 427 -18.608 2.759 -16.785 1.00 23.05 C ATOM 525 CD2 LEU A 427 -17.275 4.754 -15.909 1.00 21.49 C ATOM 526 H LEU A 427 -19.111 6.447 -19.096 1.00 0.00 H ATOM 527 N CYS A 428 -15.241 5.188 -20.157 1.00 20.98 N ATOM 528 CA CYS A 428 -14.433 5.137 -21.403 1.00 23.73 C ATOM 529 C CYS A 428 -15.102 4.433 -22.584 1.00 24.12 C ATOM 530 O CYS A 428 -14.749 4.695 -23.715 1.00 26.03 O ATOM 531 CB CYS A 428 -13.084 4.532 -21.114 1.00 25.38 C ATOM 532 SG CYS A 428 -13.163 2.823 -20.589 1.00 27.33 S ATOM 533 H CYS A 428 -14.842 4.781 -19.287 1.00 0.00 H ATOM 534 N ASP A 429 -16.110 3.604 -22.336 1.00 22.95 N ATOM 535 CA ASP A 429 -16.912 2.954 -23.423 1.00 28.39 C ATOM 536 C ASP A 429 -18.061 3.785 -23.954 1.00 28.50 C ATOM 537 O ASP A 429 -18.778 3.363 -24.848 1.00 28.18 O ATOM 538 CB ASP A 429 -17.432 1.590 -23.000 1.00 29.20 C ATOM 539 CG ASP A 429 -18.603 1.695 -22.017 1.00 30.18 C ATOM 540 OD1 ASP A 429 -18.689 2.704 -21.293 1.00 26.73 O ATOM 541 OD2 ASP A 429 -19.425 0.752 -21.935 1.00 33.67 O ATOM 542 H ASP A 429 -16.353 3.397 -21.346 1.00 0.00 H ATOM 543 N ASN A 430 -18.160 5.023 -23.480 1.00 25.73 N ATOM 544 CA ASN A 430 -19.169 5.983 -23.831 1.00 29.51 C ATOM 545 C ASN A 430 -20.493 5.816 -23.094 1.00 26.58 C ATOM 546 O ASN A 430 -21.358 6.647 -23.243 1.00 27.76 O ATOM 547 CB ASN A 430 -19.463 6.096 -25.345 1.00 31.93 C ATOM 548 CG ASN A 430 -18.233 6.416 -26.163 1.00 38.01 C ATOM 549 OD1 ASN A 430 -18.092 5.948 -27.317 1.00 45.46 O ATOM 550 ND2 ASN A 430 -17.357 7.243 -25.625 1.00 30.97 N ATOM 551 HD22 ASN A 430 -17.510 7.610 -24.664 1.00 0.00 H ATOM 552 HD21 ASN A 430 -16.513 7.528 -26.162 1.00 0.00 H ATOM 553 H ASN A 430 -17.441 5.324 -22.792 1.00 0.00 H ATOM 554 N SER A 431 -20.599 4.852 -22.218 1.00 23.54 N ATOM 555 CA SER A 431 -21.787 4.786 -21.377 1.00 23.13 C ATOM 556 C SER A 431 -21.767 5.975 -20.435 1.00 23.69 C ATOM 557 O SER A 431 -20.692 6.537 -20.145 1.00 22.26 O ATOM 558 CB SER A 431 -21.829 3.488 -20.554 1.00 25.26 C ATOM 559 OG SER A 431 -20.703 3.381 -19.694 1.00 23.66 O ATOM 560 HG SER A 431 -19.874 3.383 -20.236 1.00 0.00 H ATOM 561 H SER A 431 -19.846 4.142 -22.122 1.00 0.00 H ATOM 562 N VAL A 432 -22.922 6.300 -19.898 1.00 23.15 N ATOM 563 CA VAL A 432 -23.030 7.420 -18.966 1.00 23.20 C ATOM 564 C VAL A 432 -23.847 6.965 -17.750 1.00 22.99 C ATOM 565 O VAL A 432 -24.701 6.056 -17.829 1.00 24.93 O ATOM 566 CB VAL A 432 -23.676 8.671 -19.623 1.00 25.73 C ATOM 567 CG1 VAL A 432 -22.779 9.276 -20.694 1.00 26.62 C ATOM 568 CG2 VAL A 432 -25.010 8.349 -20.235 1.00 32.18 C ATOM 569 H VAL A 432 -23.772 5.752 -20.140 1.00 0.00 H ATOM 570 N GLY A 433 -23.584 7.550 -16.614 1.00 20.98 N ATOM 571 CA GLY A 433 -24.322 7.175 -15.376 1.00 20.13 C ATOM 572 C GLY A 433 -24.514 8.400 -14.543 1.00 21.78 C ATOM 573 O GLY A 433 -23.815 9.395 -14.707 1.00 20.63 O ATOM 574 H GLY A 433 -22.851 8.286 -16.572 1.00 0.00 H ATOM 575 N VAL A 434 -25.469 8.324 -13.623 1.00 22.42 N ATOM 576 CA VAL A 434 -25.609 9.327 -12.588 1.00 22.13 C ATOM 577 C VAL A 434 -25.780 8.597 -11.256 1.00 23.56 C ATOM 578 O VAL A 434 -26.575 7.631 -11.172 1.00 21.99 O ATOM 579 CB VAL A 434 -26.831 10.215 -12.791 1.00 23.74 C ATOM 580 CG1 VAL A 434 -26.908 11.277 -11.702 1.00 24.14 C ATOM 581 CG2 VAL A 434 -26.844 10.858 -14.186 1.00 27.19 C ATOM 582 H VAL A 434 -26.133 7.524 -13.647 1.00 0.00 H ATOM 583 N LEU A 435 -25.001 9.007 -10.260 1.00 21.16 N ATOM 584 CA LEU A 435 -25.253 8.622 -8.861 1.00 22.06 C ATOM 585 C LEU A 435 -26.012 9.833 -8.276 1.00 21.12 C ATOM 586 O LEU A 435 -25.457 10.919 -8.040 1.00 24.95 O ATOM 587 CB LEU A 435 -23.939 8.365 -8.130 1.00 25.14 C ATOM 588 CG LEU A 435 -24.020 8.126 -6.609 1.00 28.30 C ATOM 589 CD1 LEU A 435 -25.147 7.284 -6.125 1.00 28.44 C ATOM 590 CD2 LEU A 435 -22.668 7.568 -6.182 1.00 31.67 C ATOM 591 H LEU A 435 -24.188 9.619 -10.475 1.00 0.00 H ATOM 592 N PHE A 436 -27.279 9.617 -8.076 1.00 23.16 N ATOM 593 CA PHE A 436 -28.174 10.653 -7.603 1.00 23.45 C ATOM 594 C PHE A 436 -27.975 10.860 -6.090 1.00 24.52 C ATOM 595 O PHE A 436 -27.492 9.957 -5.373 1.00 25.84 O ATOM 596 CB PHE A 436 -29.637 10.325 -7.950 1.00 23.15 C ATOM 597 CG PHE A 436 -29.982 10.416 -9.412 1.00 23.98 C ATOM 598 CD1 PHE A 436 -30.134 11.623 -10.012 1.00 24.87 C ATOM 599 CD2 PHE A 436 -30.151 9.258 -10.198 1.00 24.93 C ATOM 600 CE1 PHE A 436 -30.463 11.716 -11.349 1.00 23.75 C ATOM 601 CE2 PHE A 436 -30.492 9.361 -11.544 1.00 24.90 C ATOM 602 CZ PHE A 436 -30.631 10.612 -12.120 1.00 23.59 C ATOM 603 H PHE A 436 -27.662 8.668 -8.262 1.00 0.00 H ATOM 604 N ASN A 437 -28.363 12.040 -5.619 1.00 26.67 N ATOM 605 CA ASN A 437 -28.252 12.340 -4.176 1.00 30.82 C ATOM 606 C ASN A 437 -29.073 11.454 -3.261 1.00 31.68 C ATOM 607 O ASN A 437 -28.751 11.324 -2.071 1.00 37.20 O ATOM 608 CB ASN A 437 -28.663 13.782 -3.930 1.00 31.72 C ATOM 609 CG ASN A 437 -27.607 14.780 -4.390 1.00 35.47 C ATOM 610 OD1 ASN A 437 -26.464 14.426 -4.662 1.00 34.47 O ATOM 611 ND2 ASN A 437 -28.004 16.031 -4.482 1.00 37.08 N ATOM 612 HD22 ASN A 437 -28.983 16.285 -4.241 1.00 0.00 H ATOM 613 HD21 ASN A 437 -27.339 16.766 -4.796 1.00 0.00 H ATOM 614 H ASN A 437 -28.747 12.756 -6.269 1.00 0.00 H ATOM 615 N ASP A 438 -30.096 10.808 -3.804 1.00 30.06 N ATOM 616 CA ASP A 438 -30.898 9.838 -3.018 1.00 32.91 C ATOM 617 C ASP A 438 -30.274 8.428 -2.961 1.00 32.55 C ATOM 618 O ASP A 438 -30.864 7.485 -2.455 1.00 33.89 O ATOM 619 CB ASP A 438 -32.331 9.867 -3.531 1.00 32.56 C ATOM 620 CG ASP A 438 -32.456 9.324 -4.945 1.00 31.85 C ATOM 621 OD1 ASP A 438 -31.435 8.847 -5.478 1.00 29.68 O ATOM 622 OD2 ASP A 438 -33.548 9.308 -5.516 1.00 30.66 O ATOM 623 H ASP A 438 -30.341 10.985 -4.799 1.00 0.00 H ATOM 624 N SER A 439 -29.036 8.311 -3.452 1.00 31.19 N ATOM 625 CA SER A 439 -28.283 7.067 -3.564 1.00 32.23 C ATOM 626 C SER A 439 -28.858 6.055 -4.531 1.00 28.78 C ATOM 627 O SER A 439 -28.660 4.872 -4.319 1.00 31.62 O ATOM 628 CB SER A 439 -28.160 6.334 -2.212 1.00 36.92 C ATOM 629 OG SER A 439 -27.395 7.125 -1.354 1.00 39.99 O ATOM 630 HG SER A 439 -27.305 6.670 -0.480 1.00 0.00 H ATOM 631 H SER A 439 -28.571 9.181 -3.782 1.00 0.00 H ATOM 632 N THR A 440 -29.623 6.484 -5.521 1.00 26.97 N ATOM 633 CA THR A 440 -29.988 5.593 -6.601 1.00 25.78 C ATOM 634 C THR A 440 -29.057 5.875 -7.769 1.00 24.53 C ATOM 635 O THR A 440 -28.472 6.953 -7.825 1.00 23.42 O ATOM 636 CB THR A 440 -31.440 5.781 -7.027 1.00 26.11 C ATOM 637 OG1 THR A 440 -31.650 7.092 -7.499 1.00 27.38 O ATOM 638 CG2 THR A 440 -32.372 5.540 -5.742 1.00 27.28 C ATOM 639 HG1 THR A 440 -31.439 7.738 -6.779 1.00 0.00 H ATOM 640 H THR A 440 -29.964 7.467 -5.523 1.00 0.00 H ATOM 641 N ARG A 441 -28.961 4.930 -8.702 1.00 22.41 N ATOM 642 CA ARG A 441 -28.099 5.106 -9.856 1.00 20.37 C ATOM 643 C ARG A 441 -28.879 4.793 -11.114 1.00 21.98 C ATOM 644 O ARG A 441 -29.726 3.874 -11.112 1.00 26.35 O ATOM 645 CB ARG A 441 -26.899 4.195 -9.782 1.00 23.15 C ATOM 646 CG ARG A 441 -26.031 4.468 -8.558 1.00 27.58 C ATOM 647 CD ARG A 441 -25.457 3.232 -7.972 1.00 31.76 C ATOM 648 NE ARG A 441 -24.478 3.634 -6.963 1.00 36.23 N ATOM 649 CZ ARG A 441 -24.698 3.556 -5.656 1.00 41.18 C ATOM 650 NH1 ARG A 441 -25.787 2.967 -5.219 1.00 43.49 N ATOM 651 NH2 ARG A 441 -23.789 3.989 -4.800 1.00 44.98 N ATOM 652 HE ARG A 441 -23.560 4.001 -7.287 1.00 0.00 H ATOM 653 HH12 ARG A 441 -25.968 2.901 -4.197 1.00 0.00 H ATOM 654 HH11 ARG A 441 -26.469 2.566 -5.895 1.00 0.00 H ATOM 655 HH22 ARG A 441 -23.966 3.926 -3.777 1.00 0.00 H ATOM 656 HH21 ARG A 441 -22.897 4.393 -5.149 1.00 0.00 H ATOM 657 H ARG A 441 -29.512 4.053 -8.602 1.00 0.00 H ATOM 658 N LEU A 442 -28.597 5.535 -12.183 1.00 21.61 N ATOM 659 CA LEU A 442 -29.199 5.260 -13.474 1.00 19.68 C ATOM 660 C LEU A 442 -28.013 5.246 -14.442 1.00 20.83 C ATOM 661 O LEU A 442 -27.234 6.183 -14.440 1.00 20.53 O ATOM 662 CB LEU A 442 -30.195 6.320 -13.852 1.00 20.90 C ATOM 663 CG LEU A 442 -30.946 6.087 -15.146 1.00 21.67 C ATOM 664 CD1 LEU A 442 -31.815 4.861 -15.129 1.00 23.40 C ATOM 665 CD2 LEU A 442 -31.804 7.275 -15.560 1.00 25.10 C ATOM 666 H LEU A 442 -27.931 6.328 -12.091 1.00 0.00 H ATOM 667 N ILE A 443 -27.935 4.223 -15.294 1.00 20.31 N ATOM 668 CA ILE A 443 -26.838 4.062 -16.243 1.00 21.07 C ATOM 669 C ILE A 443 -27.458 3.907 -17.624 1.00 22.03 C ATOM 670 O ILE A 443 -28.369 3.134 -17.806 1.00 21.57 O ATOM 671 CB ILE A 443 -26.085 2.773 -15.876 1.00 25.80 C ATOM 672 CG1 ILE A 443 -25.437 2.930 -14.475 1.00 31.13 C ATOM 673 CG2 ILE A 443 -25.014 2.433 -16.878 1.00 29.80 C ATOM 674 CD1 ILE A 443 -25.417 1.616 -13.747 1.00 40.57 C ATOM 675 H ILE A 443 -28.690 3.508 -15.282 1.00 0.00 H ATOM 676 N LEU A 444 -26.905 4.602 -18.586 1.00 20.84 N ATOM 677 CA LEU A 444 -27.317 4.492 -19.981 1.00 21.22 C ATOM 678 C LEU A 444 -26.149 3.816 -20.769 1.00 21.73 C ATOM 679 O LEU A 444 -25.016 4.270 -20.709 1.00 20.66 O ATOM 680 CB LEU A 444 -27.647 5.848 -20.539 1.00 21.54 C ATOM 681 CG LEU A 444 -27.931 5.954 -22.041 1.00 23.28 C ATOM 682 CD1 LEU A 444 -29.263 5.306 -22.370 1.00 24.70 C ATOM 683 CD2 LEU A 444 -27.928 7.373 -22.544 1.00 26.25 C ATOM 684 H LEU A 444 -26.138 5.262 -18.345 1.00 0.00 H ATOM 685 N TYR A 445 -26.424 2.695 -21.419 1.00 22.58 N ATOM 686 CA TYR A 445 -25.372 1.915 -22.069 1.00 22.06 C ATOM 687 C TYR A 445 -24.895 2.627 -23.302 1.00 20.09 C ATOM 688 O TYR A 445 -25.536 3.540 -23.765 1.00 23.56 O ATOM 689 CB TYR A 445 -25.832 0.439 -22.356 1.00 23.26 C ATOM 690 CG TYR A 445 -25.867 -0.427 -21.100 1.00 28.46 C ATOM 691 CD1 TYR A 445 -26.685 -0.102 -20.032 1.00 29.88 C ATOM 692 CD2 TYR A 445 -25.076 -1.580 -20.974 1.00 37.59 C ATOM 693 CE1 TYR A 445 -26.728 -0.860 -18.896 1.00 35.12 C ATOM 694 CE2 TYR A 445 -25.129 -2.371 -19.818 1.00 42.76 C ATOM 695 CZ TYR A 445 -25.995 -2.001 -18.793 1.00 42.24 C ATOM 696 OH TYR A 445 -26.092 -2.717 -17.609 1.00 47.30 O ATOM 697 HH TYR A 445 -26.761 -2.288 -17.019 1.00 0.00 H ATOM 698 H TYR A 445 -27.408 2.363 -21.468 1.00 0.00 H ATOM 699 N ASN A 446 -23.747 2.191 -23.820 1.00 21.51 N ATOM 700 CA ASN A 446 -23.116 2.790 -25.024 1.00 25.58 C ATOM 701 C ASN A 446 -23.972 2.670 -26.240 1.00 24.53 C ATOM 702 O ASN A 446 -23.801 3.436 -27.193 1.00 26.82 O ATOM 703 CB ASN A 446 -21.745 2.223 -25.335 1.00 26.77 C ATOM 704 CG ASN A 446 -21.748 0.738 -25.653 1.00 27.88 C ATOM 705 OD1 ASN A 446 -22.744 0.041 -25.568 1.00 32.00 O ATOM 706 ND2 ASN A 446 -20.568 0.239 -25.919 1.00 36.98 N ATOM 707 HD22 ASN A 446 -19.741 0.866 -25.984 1.00 0.00 H ATOM 708 HD21 ASN A 446 -20.457 -0.785 -26.066 1.00 0.00 H ATOM 709 H ASN A 446 -23.269 1.391 -23.358 1.00 0.00 H ATOM 710 N ASP A 447 -24.973 1.800 -26.163 1.00 23.47 N ATOM 711 CA ASP A 447 -25.941 1.714 -27.265 1.00 25.34 C ATOM 712 C ASP A 447 -26.906 2.915 -27.383 1.00 27.59 C ATOM 713 O ASP A 447 -27.682 3.002 -28.347 1.00 28.45 O ATOM 714 CB ASP A 447 -26.667 0.346 -27.276 1.00 28.06 C ATOM 715 CG ASP A 447 -27.626 0.132 -26.127 1.00 28.57 C ATOM 716 OD1 ASP A 447 -27.928 1.081 -25.412 1.00 25.83 O ATOM 717 OD2 ASP A 447 -28.135 -1.016 -25.938 1.00 29.97 O ATOM 718 H ASP A 447 -25.071 1.185 -25.330 1.00 0.00 H ATOM 719 N GLY A 448 -26.940 3.781 -26.379 1.00 23.33 N ATOM 720 CA GLY A 448 -27.852 4.936 -26.399 1.00 25.66 C ATOM 721 C GLY A 448 -29.313 4.648 -26.015 1.00 26.07 C ATOM 722 O GLY A 448 -30.113 5.517 -26.062 1.00 28.30 O ATOM 723 H GLY A 448 -26.311 3.641 -25.563 1.00 0.00 H ATOM 724 N ASP A 449 -29.676 3.424 -25.681 1.00 25.42 N ATOM 725 CA ASP A 449 -31.072 3.050 -25.409 1.00 28.49 C ATOM 726 C ASP A 449 -31.252 2.210 -24.140 1.00 26.26 C ATOM 727 O ASP A 449 -32.223 2.387 -23.411 1.00 27.35 O ATOM 728 CB ASP A 449 -31.668 2.313 -26.600 1.00 30.39 C ATOM 729 CG ASP A 449 -33.206 2.231 -26.536 1.00 35.41 C ATOM 730 OD1 ASP A 449 -33.893 3.203 -26.151 1.00 36.54 O ATOM 731 OD2 ASP A 449 -33.732 1.149 -26.837 1.00 46.85 O ATOM 732 H ASP A 449 -28.942 2.691 -25.607 1.00 0.00 H ATOM 733 N SER A 450 -30.315 1.339 -23.834 1.00 24.49 N ATOM 734 CA SER A 450 -30.448 0.459 -22.669 1.00 24.22 C ATOM 735 C SER A 450 -30.151 1.176 -21.390 1.00 23.86 C ATOM 736 O SER A 450 -29.163 1.845 -21.298 1.00 22.61 O ATOM 737 CB SER A 450 -29.547 -0.760 -22.777 1.00 25.96 C ATOM 738 OG SER A 450 -29.789 -1.385 -24.035 1.00 27.48 O ATOM 739 HG SER A 450 -29.586 -0.746 -24.764 1.00 0.00 H ATOM 740 H SER A 450 -29.465 1.273 -24.429 1.00 0.00 H ATOM 741 N LEU A 451 -31.035 1.004 -20.424 1.00 21.28 N ATOM 742 CA LEU A 451 -30.876 1.607 -19.084 1.00 24.22 C ATOM 743 C LEU A 451 -30.872 0.545 -18.006 1.00 22.90 C ATOM 744 O LEU A 451 -31.568 -0.458 -18.108 1.00 24.52 O ATOM 745 CB LEU A 451 -32.053 2.517 -18.817 1.00 24.16 C ATOM 746 CG LEU A 451 -32.258 3.787 -19.619 1.00 24.63 C ATOM 747 CD1 LEU A 451 -33.657 4.308 -19.420 1.00 27.94 C ATOM 748 CD2 LEU A 451 -31.239 4.836 -19.207 1.00 25.18 C ATOM 749 H LEU A 451 -31.876 0.422 -20.614 1.00 0.00 H ATOM 750 N GLN A 452 -30.101 0.814 -16.945 1.00 22.11 N ATOM 751 CA GLN A 452 -30.048 0.020 -15.799 1.00 23.19 C ATOM 752 C GLN A 452 -30.297 0.995 -14.636 1.00 24.38 C ATOM 753 O GLN A 452 -29.626 2.049 -14.531 1.00 22.53 O ATOM 754 CB GLN A 452 -28.703 -0.728 -15.633 1.00 26.17 C ATOM 755 CG GLN A 452 -28.645 -1.452 -14.278 1.00 31.42 C ATOM 756 CD GLN A 452 -27.392 -2.325 -14.003 1.00 38.70 C ATOM 757 OE1 GLN A 452 -27.321 -2.969 -12.954 1.00 45.52 O ATOM 758 NE2 GLN A 452 -26.471 -2.388 -14.926 1.00 41.30 N ATOM 759 HE22 GLN A 452 -26.569 -1.828 -15.797 1.00 0.00 H ATOM 760 HE21 GLN A 452 -25.640 -2.998 -14.790 1.00 0.00 H ATOM 761 H GLN A 452 -29.506 1.666 -16.977 1.00 0.00 H ATOM 762 N TYR A 453 -31.240 0.643 -13.778 1.00 21.31 N ATOM 763 CA TYR A 453 -31.587 1.473 -12.613 1.00 20.84 C ATOM 764 C TYR A 453 -31.305 0.638 -11.410 1.00 20.79 C ATOM 765 O TYR A 453 -31.735 -0.513 -11.378 1.00 24.86 O ATOM 766 CB TYR A 453 -33.064 1.872 -12.601 1.00 21.44 C ATOM 767 CG TYR A 453 -33.437 2.792 -11.449 1.00 23.59 C ATOM 768 CD1 TYR A 453 -32.934 4.102 -11.366 1.00 23.64 C ATOM 769 CD2 TYR A 453 -34.283 2.374 -10.441 1.00 25.60 C ATOM 770 CE1 TYR A 453 -33.268 4.949 -10.311 1.00 25.62 C ATOM 771 CE2 TYR A 453 -34.623 3.208 -9.377 1.00 25.54 C ATOM 772 CZ TYR A 453 -34.148 4.488 -9.326 1.00 27.93 C ATOM 773 OH TYR A 453 -34.477 5.323 -8.296 1.00 31.37 O ATOM 774 HH TYR A 453 -34.041 6.201 -8.433 1.00 0.00 H ATOM 775 H TYR A 453 -31.753 -0.249 -13.931 1.00 0.00 H ATOM 776 N ILE A 454 -30.619 1.218 -10.428 1.00 21.36 N ATOM 777 CA ILE A 454 -30.250 0.557 -9.191 1.00 25.97 C ATOM 778 C ILE A 454 -30.821 1.330 -7.990 1.00 24.85 C ATOM 779 O ILE A 454 -30.488 2.490 -7.754 1.00 26.43 O ATOM 780 CB ILE A 454 -28.736 0.472 -9.063 1.00 28.44 C ATOM 781 CG1 ILE A 454 -28.148 -0.169 -10.310 1.00 32.13 C ATOM 782 CG2 ILE A 454 -28.327 -0.371 -7.823 1.00 33.54 C ATOM 783 CD1 ILE A 454 -26.667 -0.328 -10.183 1.00 38.26 C ATOM 784 H ILE A 454 -30.329 2.209 -10.556 1.00 0.00 H ATOM 785 N GLU A 455 -31.705 0.685 -7.247 1.00 28.70 N ATOM 786 CA GLU A 455 -32.370 1.317 -6.117 1.00 29.00 C ATOM 787 C GLU A 455 -31.373 1.377 -4.972 1.00 31.06 C ATOM 788 O GLU A 455 -30.238 0.854 -5.060 1.00 32.77 O ATOM 789 CB GLU A 455 -33.616 0.541 -5.694 1.00 34.20 C ATOM 790 CG GLU A 455 -34.748 0.538 -6.703 1.00 35.82 C ATOM 791 CD GLU A 455 -35.754 -0.564 -6.392 1.00 44.27 C ATOM 792 OE1 GLU A 455 -36.089 -0.762 -5.176 1.00 44.46 O ATOM 793 OE2 GLU A 455 -36.208 -1.242 -7.344 1.00 43.38 O ATOM 794 H GLU A 455 -31.932 -0.304 -7.477 1.00 0.00 H ATOM 795 N ARG A 456 -31.790 2.020 -3.891 1.00 35.67 N ATOM 796 CA ARG A 456 -30.933 2.144 -2.713 1.00 41.29 C ATOM 797 C ARG A 456 -30.646 0.780 -2.083 1.00 40.93 C ATOM 798 O ARG A 456 -29.531 0.521 -1.691 1.00 45.33 O ATOM 799 CB ARG A 456 -31.536 3.151 -1.699 1.00 46.15 C ATOM 800 H ARG A 456 -32.740 2.442 -3.880 1.00 0.00 H ATOM 801 N ASP A 457 -31.595 -0.141 -2.057 1.00 46.90 N ATOM 802 CA ASP A 457 -31.262 -1.527 -1.560 1.00 48.20 C ATOM 803 C ASP A 457 -30.480 -2.393 -2.564 1.00 52.40 C ATOM 804 O ASP A 457 -30.352 -3.585 -2.341 1.00 53.48 O ATOM 805 CB ASP A 457 -32.513 -2.270 -1.056 1.00 51.89 C ATOM 806 CG ASP A 457 -33.506 -2.618 -2.167 1.00 56.43 C ATOM 807 OD1 ASP A 457 -33.153 -2.522 -3.357 1.00 51.17 O ATOM 808 OD2 ASP A 457 -34.650 -3.024 -1.841 1.00 54.92 O ATOM 809 H ASP A 457 -32.559 0.087 -2.375 1.00 0.00 H ATOM 810 N GLY A 458 -29.940 -1.801 -3.648 1.00 43.31 N ATOM 811 CA GLY A 458 -29.198 -2.555 -4.676 1.00 38.40 C ATOM 812 C GLY A 458 -30.052 -3.258 -5.732 1.00 34.04 C ATOM 813 O GLY A 458 -29.489 -3.870 -6.634 1.00 33.97 O ATOM 814 H GLY A 458 -30.051 -0.773 -3.764 1.00 0.00 H ATOM 815 N THR A 459 -31.381 -3.141 -5.650 1.00 33.18 N ATOM 816 CA THR A 459 -32.234 -3.884 -6.576 1.00 33.07 C ATOM 817 C THR A 459 -32.073 -3.269 -7.957 1.00 29.68 C ATOM 818 O THR A 459 -32.215 -2.083 -8.092 1.00 26.98 O ATOM 819 CB THR A 459 -33.711 -3.898 -6.168 1.00 35.28 C ATOM 820 OG1 THR A 459 -33.865 -4.605 -4.923 1.00 39.71 O ATOM 821 CG2 THR A 459 -34.534 -4.639 -7.150 1.00 35.24 C ATOM 822 HG1 THR A 459 -33.334 -4.153 -4.220 1.00 0.00 H ATOM 823 H THR A 459 -31.807 -2.523 -4.930 1.00 0.00 H ATOM 824 N GLU A 460 -31.771 -4.096 -8.936 1.00 30.87 N ATOM 825 CA GLU A 460 -31.557 -3.621 -10.320 1.00 30.58 C ATOM 826 C GLU A 460 -32.771 -3.882 -11.208 1.00 28.78 C ATOM 827 O GLU A 460 -33.370 -4.978 -11.124 1.00 29.67 O ATOM 828 CB GLU A 460 -30.321 -4.330 -10.926 1.00 32.77 C ATOM 829 CG GLU A 460 -29.077 -4.250 -10.024 1.00 38.62 C ATOM 830 CD GLU A 460 -27.821 -4.871 -10.630 1.00 46.61 C ATOM 831 OE1 GLU A 460 -27.903 -5.420 -11.737 1.00 47.79 O ATOM 832 OE2 GLU A 460 -26.732 -4.829 -9.993 1.00 56.45 O ATOM 833 H GLU A 460 -31.680 -5.111 -8.730 1.00 0.00 H ATOM 834 N SER A 461 -33.094 -2.914 -12.058 1.00 24.79 N ATOM 835 CA SER A 461 -34.126 -3.025 -13.095 1.00 26.09 C ATOM 836 C SER A 461 -33.512 -2.589 -14.437 1.00 27.27 C ATOM 837 O SER A 461 -32.534 -1.816 -14.492 1.00 22.26 O ATOM 838 CB SER A 461 -35.325 -2.131 -12.781 1.00 27.76 C ATOM 839 OG SER A 461 -35.933 -2.489 -11.552 1.00 30.13 O ATOM 840 HG SER A 461 -35.273 -2.397 -10.820 1.00 0.00 H ATOM 841 H SER A 461 -32.579 -2.014 -11.983 1.00 0.00 H ATOM 842 N TYR A 462 -34.119 -3.062 -15.502 1.00 25.43 N ATOM 843 CA TYR A 462 -33.539 -2.974 -16.848 1.00 28.47 C ATOM 844 C TYR A 462 -34.637 -2.512 -17.782 1.00 29.72 C ATOM 845 O TYR A 462 -35.652 -3.127 -17.822 1.00 28.23 O ATOM 846 CB TYR A 462 -32.994 -4.332 -17.304 1.00 32.04 C ATOM 847 CG TYR A 462 -31.830 -4.730 -16.497 1.00 33.17 C ATOM 848 CD1 TYR A 462 -31.999 -5.400 -15.295 1.00 36.37 C ATOM 849 CD2 TYR A 462 -30.540 -4.367 -16.889 1.00 34.13 C ATOM 850 CE1 TYR A 462 -30.897 -5.737 -14.527 1.00 37.18 C ATOM 851 CE2 TYR A 462 -29.459 -4.684 -16.116 1.00 39.69 C ATOM 852 CZ TYR A 462 -29.644 -5.375 -14.948 1.00 38.79 C ATOM 853 OH TYR A 462 -28.529 -5.665 -14.201 1.00 48.83 O ATOM 854 HH TYR A 462 -28.080 -4.822 -13.940 1.00 0.00 H ATOM 855 H TYR A 462 -35.047 -3.517 -15.387 1.00 0.00 H ATOM 856 N LEU A 463 -34.455 -1.380 -18.459 1.00 25.79 N ATOM 857 CA LEU A 463 -35.499 -0.799 -19.272 1.00 28.41 C ATOM 858 C LEU A 463 -34.820 -0.069 -20.452 1.00 24.80 C ATOM 859 O LEU A 463 -33.618 -0.105 -20.572 1.00 24.64 O ATOM 860 CB LEU A 463 -36.294 0.201 -18.424 1.00 33.27 C ATOM 861 CG LEU A 463 -35.431 1.098 -17.558 1.00 38.92 C ATOM 862 CD1 LEU A 463 -35.911 2.536 -17.580 1.00 45.05 C ATOM 863 CD2 LEU A 463 -35.323 0.584 -16.119 1.00 39.55 C ATOM 864 H LEU A 463 -33.534 -0.900 -18.401 1.00 0.00 H ATOM 865 N THR A 464 -35.595 0.546 -21.321 1.00 24.50 N ATOM 866 CA THR A 464 -35.026 1.295 -22.406 1.00 27.14 C ATOM 867 C THR A 464 -35.552 2.692 -22.362 1.00 25.89 C ATOM 868 O THR A 464 -36.646 2.955 -21.856 1.00 29.97 O ATOM 869 CB THR A 464 -35.364 0.683 -23.783 1.00 31.11 C ATOM 870 OG1 THR A 464 -36.778 0.713 -24.001 1.00 33.97 O ATOM 871 CG2 THR A 464 -34.910 -0.768 -23.856 1.00 32.91 C ATOM 872 HG1 THR A 464 -37.231 0.190 -23.293 1.00 0.00 H ATOM 873 H THR A 464 -36.629 0.489 -21.221 1.00 0.00 H ATOM 874 N VAL A 465 -34.798 3.587 -22.956 1.00 23.00 N ATOM 875 CA VAL A 465 -35.176 4.961 -23.166 1.00 29.32 C ATOM 876 C VAL A 465 -36.429 4.970 -24.044 1.00 31.03 C ATOM 877 O VAL A 465 -37.377 5.704 -23.760 1.00 30.48 O ATOM 878 CB VAL A 465 -34.029 5.730 -23.798 1.00 31.02 C ATOM 879 CG1 VAL A 465 -34.493 7.072 -24.376 1.00 38.37 C ATOM 880 CG2 VAL A 465 -32.893 5.886 -22.775 1.00 30.41 C ATOM 881 H VAL A 465 -33.864 3.284 -23.298 1.00 0.00 H ATOM 882 N SER A 466 -36.446 4.113 -25.057 1.00 31.38 N ATOM 883 CA SER A 466 -37.543 4.156 -26.041 1.00 37.88 C ATOM 884 C SER A 466 -38.891 3.631 -25.477 1.00 38.91 C ATOM 885 O SER A 466 -39.933 3.926 -26.011 1.00 40.04 O ATOM 886 CB SER A 466 -37.088 3.437 -27.308 1.00 37.13 C ATOM 887 OG SER A 466 -36.817 2.093 -27.050 1.00 44.04 O ATOM 888 HG SER A 466 -36.099 2.027 -26.371 1.00 0.00 H ATOM 889 H SER A 466 -35.685 3.411 -25.157 1.00 0.00 H ATOM 890 N SER A 467 -38.849 2.886 -24.379 1.00 38.15 N ATOM 891 CA SER A 467 -40.017 2.427 -23.618 1.00 46.53 C ATOM 892 C SER A 467 -39.647 2.271 -22.125 1.00 42.37 C ATOM 893 O SER A 467 -39.013 1.311 -21.732 1.00 43.95 O ATOM 894 CB SER A 467 -40.432 1.060 -24.110 1.00 55.33 C ATOM 895 OG SER A 467 -39.504 0.068 -23.657 1.00 65.54 O ATOM 896 HG SER A 467 -39.484 0.064 -22.667 1.00 0.00 H ATOM 897 H SER A 467 -37.911 2.604 -24.029 1.00 0.00 H ATOM 898 N HIS A 468 -39.983 3.245 -21.307 1.00 50.01 N ATOM 899 CA HIS A 468 -39.558 3.228 -19.894 1.00 60.24 C ATOM 900 C HIS A 468 -40.716 3.679 -19.032 1.00 64.86 C ATOM 901 O HIS A 468 -41.515 4.540 -19.480 1.00 61.57 O ATOM 902 CB HIS A 468 -38.443 4.230 -19.662 1.00 54.42 C ATOM 903 CG HIS A 468 -38.848 5.616 -20.004 1.00 60.46 C ATOM 904 ND1 HIS A 468 -39.464 6.445 -19.096 1.00 72.51 N ATOM 905 CD2 HIS A 468 -38.798 6.299 -21.168 1.00 66.65 C ATOM 906 CE1 HIS A 468 -39.738 7.601 -19.674 1.00 76.42 C ATOM 907 NE2 HIS A 468 -39.351 7.536 -20.936 1.00 71.94 N ATOM 908 H HIS A 468 -40.556 4.038 -21.661 1.00 0.00 H ATOM 909 N PRO A 469 -40.765 3.171 -17.779 1.00 63.88 N ATOM 910 CA PRO A 469 -41.810 3.679 -16.909 1.00 64.79 C ATOM 911 C PRO A 469 -41.746 5.218 -16.792 1.00 56.56 C ATOM 912 O PRO A 469 -40.690 5.850 -16.651 1.00 57.28 O ATOM 913 CB PRO A 469 -41.558 2.960 -15.555 1.00 64.34 C ATOM 914 CG PRO A 469 -40.107 2.595 -15.594 1.00 66.47 C ATOM 915 CD PRO A 469 -39.832 2.283 -17.055 1.00 65.38 C ATOM 916 N ASN A 470 -42.918 5.794 -16.901 1.00 42.42 N ATOM 917 CA ASN A 470 -43.147 7.149 -16.540 1.00 40.29 C ATOM 918 C ASN A 470 -42.516 7.530 -15.229 1.00 30.00 C ATOM 919 O ASN A 470 -42.098 8.704 -15.073 1.00 31.47 O ATOM 920 CB ASN A 470 -44.668 7.376 -16.446 1.00 48.31 C ATOM 921 CG ASN A 470 -45.049 8.825 -16.657 1.00 58.19 C ATOM 922 OD1 ASN A 470 -45.044 9.321 -17.795 1.00 69.22 O ATOM 923 ND2 ASN A 470 -45.400 9.510 -15.570 1.00 56.36 N ATOM 924 HD22 ASN A 470 -45.388 9.049 -14.638 1.00 0.00 H ATOM 925 HD21 ASN A 470 -45.686 10.506 -15.653 1.00 0.00 H ATOM 926 H ASN A 470 -43.715 5.235 -17.268 1.00 0.00 H ATOM 927 N SER A 471 -42.396 6.600 -14.281 1.00 31.61 N ATOM 928 CA SER A 471 -41.805 6.966 -12.976 1.00 31.35 C ATOM 929 C SER A 471 -40.309 7.385 -13.092 1.00 30.41 C ATOM 930 O SER A 471 -39.817 8.079 -12.217 1.00 31.67 O ATOM 931 CB SER A 471 -41.883 5.837 -11.984 1.00 31.58 C ATOM 932 OG SER A 471 -41.150 4.718 -12.444 1.00 31.79 O ATOM 933 HG SER A 471 -41.213 3.987 -11.779 1.00 0.00 H ATOM 934 H SER A 471 -42.715 5.626 -14.458 1.00 0.00 H ATOM 935 N LEU A 472 -39.598 6.909 -14.125 1.00 28.33 N ATOM 936 CA LEU A 472 -38.189 7.302 -14.322 1.00 27.81 C ATOM 937 C LEU A 472 -38.009 8.445 -15.275 1.00 26.40 C ATOM 938 O LEU A 472 -36.890 8.796 -15.586 1.00 29.01 O ATOM 939 CB LEU A 472 -37.353 6.098 -14.829 1.00 28.07 C ATOM 940 CG LEU A 472 -36.924 5.153 -13.698 1.00 33.07 C ATOM 941 CD1 LEU A 472 -36.163 3.992 -14.345 1.00 36.15 C ATOM 942 CD2 LEU A 472 -36.075 5.808 -12.568 1.00 29.78 C ATOM 943 H LEU A 472 -40.046 6.254 -14.797 1.00 0.00 H ATOM 944 N MET A 473 -39.080 9.092 -15.727 1.00 30.03 N ATOM 945 CA MET A 473 -38.950 10.208 -16.695 1.00 34.83 C ATOM 946 C MET A 473 -38.058 11.336 -16.178 1.00 29.24 C ATOM 947 O MET A 473 -37.176 11.823 -16.892 1.00 29.18 O ATOM 948 CB MET A 473 -40.342 10.751 -17.145 1.00 41.26 C ATOM 949 CG MET A 473 -40.331 11.622 -18.408 1.00 55.78 C ATOM 950 SD MET A 473 -40.069 10.805 -20.030 1.00 77.13 S ATOM 951 CE MET A 473 -38.294 10.963 -20.232 1.00 64.19 C ATOM 952 H MET A 473 -40.025 8.810 -15.396 1.00 0.00 H ATOM 953 N LYS A 474 -38.250 11.750 -14.945 1.00 27.46 N ATOM 954 CA LYS A 474 -37.421 12.814 -14.371 1.00 29.81 C ATOM 955 C LYS A 474 -35.890 12.441 -14.300 1.00 28.50 C ATOM 956 O LYS A 474 -35.022 13.239 -14.670 1.00 26.53 O ATOM 957 CB LYS A 474 -37.958 13.199 -12.992 1.00 33.22 C ATOM 958 CG LYS A 474 -37.044 14.032 -12.154 1.00 43.17 C ATOM 959 CD LYS A 474 -37.625 14.298 -10.771 1.00 55.49 C ATOM 960 CE LYS A 474 -36.552 14.304 -9.701 1.00 60.76 C ATOM 961 NZ LYS A 474 -36.115 12.917 -9.368 1.00 65.42 N ATOM 962 HZ1 LYS A 474 -36.930 12.373 -9.019 1.00 0.00 H ATOM 963 HZ2 LYS A 474 -35.732 12.461 -10.221 1.00 0.00 H ATOM 964 HZ3 LYS A 474 -35.380 12.953 -8.633 1.00 0.00 H ATOM 965 H LYS A 474 -39.000 11.317 -14.369 1.00 0.00 H ATOM 966 N LYS A 475 -35.604 11.234 -13.818 1.00 25.35 N ATOM 967 CA LYS A 475 -34.236 10.756 -13.718 1.00 25.65 C ATOM 968 C LYS A 475 -33.624 10.569 -15.119 1.00 24.89 C ATOM 969 O LYS A 475 -32.470 10.960 -15.282 1.00 23.93 O ATOM 970 CB LYS A 475 -34.126 9.566 -12.773 1.00 23.58 C ATOM 971 CG LYS A 475 -34.107 9.996 -11.332 1.00 24.23 C ATOM 972 CD LYS A 475 -34.109 8.837 -10.344 1.00 26.21 C ATOM 973 CE LYS A 475 -34.014 9.372 -8.912 1.00 28.58 C ATOM 974 NZ LYS A 475 -34.281 8.213 -8.044 1.00 32.19 N ATOM 975 HZ1 LYS A 475 -35.229 7.839 -8.249 1.00 0.00 H ATOM 976 HZ2 LYS A 475 -33.570 7.476 -8.224 1.00 0.00 H ATOM 977 HZ3 LYS A 475 -34.232 8.509 -7.048 1.00 0.00 H ATOM 978 H LYS A 475 -36.380 10.617 -13.505 1.00 0.00 H ATOM 979 N ILE A 476 -34.372 10.059 -16.107 1.00 21.60 N ATOM 980 CA ILE A 476 -33.856 9.901 -17.467 1.00 25.47 C ATOM 981 C ILE A 476 -33.551 11.266 -18.099 1.00 27.43 C ATOM 982 O ILE A 476 -32.536 11.447 -18.775 1.00 25.87 O ATOM 983 CB ILE A 476 -34.823 9.121 -18.389 1.00 23.68 C ATOM 984 CG1 ILE A 476 -34.910 7.655 -17.992 1.00 26.34 C ATOM 985 CG2 ILE A 476 -34.406 9.164 -19.871 1.00 28.53 C ATOM 986 CD1 ILE A 476 -36.152 6.954 -18.439 1.00 28.64 C ATOM 987 H ILE A 476 -35.349 9.767 -15.901 1.00 0.00 H ATOM 988 N THR A 477 -34.446 12.236 -17.855 1.00 26.07 N ATOM 989 CA THR A 477 -34.256 13.629 -18.258 1.00 26.10 C ATOM 990 C THR A 477 -33.003 14.249 -17.693 1.00 24.22 C ATOM 991 O THR A 477 -32.246 14.817 -18.440 1.00 25.46 O ATOM 992 CB THR A 477 -35.526 14.467 -17.932 1.00 28.94 C ATOM 993 OG1 THR A 477 -36.605 13.967 -18.696 1.00 31.61 O ATOM 994 CG2 THR A 477 -35.342 15.918 -18.288 1.00 33.68 C ATOM 995 HG1 THR A 477 -36.759 13.017 -18.465 1.00 0.00 H ATOM 996 H THR A 477 -35.321 11.984 -17.353 1.00 0.00 H ATOM 997 N LEU A 478 -32.758 14.093 -16.383 1.00 23.87 N ATOM 998 CA LEU A 478 -31.549 14.549 -15.762 1.00 23.87 C ATOM 999 C LEU A 478 -30.323 13.865 -16.366 1.00 23.61 C ATOM 1000 O LEU A 478 -29.342 14.528 -16.615 1.00 23.79 O ATOM 1001 CB LEU A 478 -31.597 14.308 -14.237 1.00 25.83 C ATOM 1002 CG LEU A 478 -32.677 15.126 -13.508 1.00 29.47 C ATOM 1003 CD1 LEU A 478 -32.695 14.783 -12.028 1.00 31.64 C ATOM 1004 CD2 LEU A 478 -32.407 16.616 -13.681 1.00 30.97 C ATOM 1005 H LEU A 478 -33.474 13.622 -15.794 1.00 0.00 H ATOM 1006 N LEU A 479 -30.423 12.565 -16.611 1.00 22.77 N ATOM 1007 CA LEU A 479 -29.258 11.836 -17.156 1.00 21.96 C ATOM 1008 C LEU A 479 -28.970 12.433 -18.520 1.00 20.25 C ATOM 1009 O LEU A 479 -27.791 12.684 -18.870 1.00 20.50 O ATOM 1010 CB LEU A 479 -29.540 10.330 -17.216 1.00 22.86 C ATOM 1011 CG LEU A 479 -28.414 9.453 -17.844 1.00 26.37 C ATOM 1012 CD1 LEU A 479 -28.362 8.032 -17.249 1.00 27.90 C ATOM 1013 CD2 LEU A 479 -28.556 9.384 -19.372 1.00 26.10 C ATOM 1014 H LEU A 479 -31.314 12.063 -16.421 1.00 0.00 H ATOM 1015 N LYS A 480 -30.034 12.753 -19.244 1.00 21.45 N ATOM 1016 CA LYS A 480 -29.886 13.371 -20.581 1.00 26.10 C ATOM 1017 C LYS A 480 -29.180 14.704 -20.559 1.00 24.71 C ATOM 1018 O LYS A 480 -28.356 14.956 -21.427 1.00 23.60 O ATOM 1019 CB LYS A 480 -31.256 13.480 -21.281 1.00 26.60 C ATOM 1020 CG LYS A 480 -31.171 13.621 -22.793 1.00 36.98 C ATOM 1021 CD LYS A 480 -30.315 12.566 -23.469 1.00 34.58 C ATOM 1022 CE LYS A 480 -30.255 11.109 -22.843 1.00 44.60 C ATOM 1023 NZ LYS A 480 -31.499 10.299 -22.587 1.00 53.43 N ATOM 1024 HZ1 LYS A 480 -32.115 10.812 -21.925 1.00 0.00 H ATOM 1025 HZ2 LYS A 480 -32.003 10.147 -23.484 1.00 0.00 H ATOM 1026 HZ3 LYS A 480 -31.235 9.381 -22.176 1.00 0.00 H ATOM 1027 H LYS A 480 -30.985 12.567 -18.867 1.00 0.00 H ATOM 1028 N TYR A 481 -29.486 15.578 -19.560 1.00 24.21 N ATOM 1029 CA TYR A 481 -28.817 16.860 -19.419 1.00 25.36 C ATOM 1030 C TYR A 481 -27.374 16.638 -19.105 1.00 23.64 C ATOM 1031 O TYR A 481 -26.546 17.305 -19.676 1.00 22.83 O ATOM 1032 CB TYR A 481 -29.432 17.753 -18.336 1.00 28.43 C ATOM 1033 CG TYR A 481 -30.874 18.114 -18.589 1.00 33.09 C ATOM 1034 CD1 TYR A 481 -31.401 18.029 -19.851 1.00 36.47 C ATOM 1035 CD2 TYR A 481 -31.722 18.454 -17.561 1.00 38.13 C ATOM 1036 CE1 TYR A 481 -32.711 18.318 -20.095 1.00 42.72 C ATOM 1037 CE2 TYR A 481 -33.044 18.775 -17.808 1.00 39.03 C ATOM 1038 CZ TYR A 481 -33.516 18.698 -19.079 1.00 46.08 C ATOM 1039 OH TYR A 481 -34.835 18.980 -19.391 1.00 62.62 O ATOM 1040 HH TYR A 481 -34.974 18.865 -20.364 1.00 0.00 H ATOM 1041 H TYR A 481 -30.224 15.319 -18.875 1.00 0.00 H ATOM 1042 N PHE A 482 -27.057 15.709 -18.195 1.00 22.25 N ATOM 1043 CA PHE A 482 -25.648 15.386 -17.933 1.00 21.75 C ATOM 1044 C PHE A 482 -24.944 14.893 -19.208 1.00 21.68 C ATOM 1045 O PHE A 482 -23.815 15.279 -19.481 1.00 22.08 O ATOM 1046 CB PHE A 482 -25.457 14.339 -16.835 1.00 23.19 C ATOM 1047 CG PHE A 482 -25.569 14.868 -15.413 1.00 22.99 C ATOM 1048 CD1 PHE A 482 -24.529 15.562 -14.794 1.00 24.05 C ATOM 1049 CD2 PHE A 482 -26.696 14.568 -14.652 1.00 25.58 C ATOM 1050 CE1 PHE A 482 -24.668 16.030 -13.467 1.00 23.63 C ATOM 1051 CE2 PHE A 482 -26.824 15.012 -13.349 1.00 26.76 C ATOM 1052 CZ PHE A 482 -25.776 15.718 -12.753 1.00 25.70 C ATOM 1053 H PHE A 482 -27.809 15.215 -17.673 1.00 0.00 H ATOM 1054 N ARG A 483 -25.569 13.960 -19.911 1.00 21.88 N ATOM 1055 CA ARG A 483 -25.005 13.380 -21.143 1.00 22.42 C ATOM 1056 C ARG A 483 -24.714 14.444 -22.161 1.00 23.80 C ATOM 1057 O ARG A 483 -23.600 14.494 -22.716 1.00 21.60 O ATOM 1058 CB ARG A 483 -25.957 12.332 -21.667 1.00 22.32 C ATOM 1059 CG ARG A 483 -25.534 11.700 -22.942 1.00 26.07 C ATOM 1060 CD ARG A 483 -26.730 11.079 -23.636 1.00 31.48 C ATOM 1061 NE ARG A 483 -26.365 10.520 -24.939 1.00 36.25 N ATOM 1062 CZ ARG A 483 -27.179 9.784 -25.695 1.00 40.03 C ATOM 1063 NH1 ARG A 483 -28.405 9.565 -25.310 1.00 38.80 N ATOM 1064 NH2 ARG A 483 -26.756 9.277 -26.863 1.00 45.11 N ATOM 1065 HE ARG A 483 -25.408 10.710 -25.298 1.00 0.00 H ATOM 1066 HH12 ARG A 483 -29.041 8.991 -25.900 1.00 0.00 H ATOM 1067 HH11 ARG A 483 -28.748 9.965 -24.413 1.00 0.00 H ATOM 1068 HH22 ARG A 483 -27.400 8.704 -27.445 1.00 0.00 H ATOM 1069 HH21 ARG A 483 -25.784 9.457 -27.187 1.00 0.00 H ATOM 1070 H ARG A 483 -26.496 13.623 -19.580 1.00 0.00 H ATOM 1071 N ASN A 484 -25.717 15.285 -22.447 1.00 24.39 N ATOM 1072 CA ASN A 484 -25.492 16.435 -23.401 1.00 27.79 C ATOM 1073 C ASN A 484 -24.395 17.410 -22.991 1.00 26.75 C ATOM 1074 O ASN A 484 -23.573 17.829 -23.813 1.00 23.81 O ATOM 1075 CB ASN A 484 -26.777 17.198 -23.671 1.00 27.77 C ATOM 1076 CG ASN A 484 -27.763 16.383 -24.472 1.00 34.44 C ATOM 1077 OD1 ASN A 484 -28.967 16.560 -24.358 1.00 43.15 O ATOM 1078 ND2 ASN A 484 -27.257 15.416 -25.202 1.00 36.68 N ATOM 1079 HD22 ASN A 484 -26.226 15.302 -25.271 1.00 0.00 H ATOM 1080 HD21 ASN A 484 -27.888 14.764 -25.711 1.00 0.00 H ATOM 1081 H ASN A 484 -26.651 15.146 -22.012 1.00 0.00 H ATOM 1082 N TYR A 485 -24.331 17.713 -21.694 1.00 24.09 N ATOM 1083 CA TYR A 485 -23.333 18.618 -21.160 1.00 23.54 C ATOM 1084 C TYR A 485 -21.906 18.046 -21.334 1.00 21.17 C ATOM 1085 O TYR A 485 -21.009 18.749 -21.858 1.00 23.90 O ATOM 1086 CB TYR A 485 -23.578 19.047 -19.666 1.00 23.60 C ATOM 1087 CG TYR A 485 -22.568 20.089 -19.216 1.00 24.41 C ATOM 1088 CD1 TYR A 485 -21.336 19.711 -18.753 1.00 27.69 C ATOM 1089 CD2 TYR A 485 -22.869 21.449 -19.283 1.00 28.62 C ATOM 1090 CE1 TYR A 485 -20.405 20.636 -18.390 1.00 35.11 C ATOM 1091 CE2 TYR A 485 -21.936 22.380 -18.928 1.00 31.80 C ATOM 1092 CZ TYR A 485 -20.715 21.957 -18.497 1.00 32.52 C ATOM 1093 OH TYR A 485 -19.768 22.834 -18.092 1.00 35.66 O ATOM 1094 HH TYR A 485 -18.956 22.338 -17.818 1.00 0.00 H ATOM 1095 H TYR A 485 -25.021 17.285 -21.044 1.00 0.00 H ATOM 1096 N MET A 486 -21.724 16.760 -21.020 1.00 20.34 N ATOM 1097 CA MET A 486 -20.441 16.131 -21.135 1.00 20.60 C ATOM 1098 C MET A 486 -20.008 16.029 -22.610 1.00 20.22 C ATOM 1099 O MET A 486 -18.815 16.234 -22.920 1.00 22.85 O ATOM 1100 CB MET A 486 -20.433 14.779 -20.436 1.00 20.57 C ATOM 1101 CG MET A 486 -20.606 14.896 -18.930 1.00 21.36 C ATOM 1102 SD MET A 486 -20.408 13.309 -18.085 1.00 25.56 S ATOM 1103 CE MET A 486 -21.889 12.470 -18.575 1.00 25.21 C ATOM 1104 H MET A 486 -22.534 16.201 -20.684 1.00 0.00 H ATOM 1105 N SER A 487 -20.943 15.767 -23.476 1.00 22.65 N ATOM 1106 CA SER A 487 -20.668 15.626 -24.889 1.00 25.85 C ATOM 1107 C SER A 487 -20.244 16.991 -25.480 1.00 30.11 C ATOM 1108 O SER A 487 -19.275 17.081 -26.263 1.00 27.02 O ATOM 1109 CB SER A 487 -21.904 15.073 -25.618 1.00 30.30 C ATOM 1110 OG SER A 487 -21.699 15.102 -27.017 1.00 31.77 O ATOM 1111 HG SER A 487 -21.542 16.035 -27.307 1.00 0.00 H ATOM 1112 H SER A 487 -21.921 15.655 -23.141 1.00 0.00 H ATOM 1113 N GLU A 488 -20.941 18.062 -25.092 1.00 27.33 N ATOM 1114 CA GLU A 488 -20.698 19.389 -25.682 1.00 33.05 C ATOM 1115 C GLU A 488 -19.508 20.088 -25.108 1.00 31.27 C ATOM 1116 O GLU A 488 -18.868 20.854 -25.817 1.00 28.78 O ATOM 1117 CB GLU A 488 -21.934 20.300 -25.597 1.00 36.53 C ATOM 1118 CG GLU A 488 -23.148 19.755 -26.329 1.00 46.96 C ATOM 1119 CD GLU A 488 -22.844 19.336 -27.758 1.00 59.90 C ATOM 1120 OE1 GLU A 488 -22.594 20.238 -28.592 1.00 70.87 O ATOM 1121 OE2 GLU A 488 -22.854 18.099 -28.049 1.00 74.03 O ATOM 1122 H GLU A 488 -21.670 17.957 -24.358 1.00 0.00 H ATOM 1123 N HIS A 489 -19.176 19.827 -23.846 1.00 24.07 N ATOM 1124 CA HIS A 489 -18.225 20.634 -23.185 1.00 26.12 C ATOM 1125 C HIS A 489 -16.941 19.992 -22.706 1.00 24.99 C ATOM 1126 O HIS A 489 -16.014 20.703 -22.469 1.00 27.35 O ATOM 1127 CB HIS A 489 -18.919 21.293 -21.990 1.00 30.78 C ATOM 1128 CG HIS A 489 -19.998 22.242 -22.383 1.00 30.45 C ATOM 1129 ND1 HIS A 489 -19.782 23.331 -23.215 1.00 32.90 N ATOM 1130 CD2 HIS A 489 -21.320 22.235 -22.108 1.00 32.19 C ATOM 1131 CE1 HIS A 489 -20.927 23.970 -23.407 1.00 30.60 C ATOM 1132 NE2 HIS A 489 -21.869 23.328 -22.734 1.00 30.41 N ATOM 1133 H HIS A 489 -19.617 19.028 -23.347 1.00 0.00 H ATOM 1134 N LEU A 490 -16.895 18.658 -22.482 1.00 22.68 N ATOM 1135 CA LEU A 490 -15.801 18.096 -21.761 1.00 22.88 C ATOM 1136 C LEU A 490 -14.995 17.141 -22.687 1.00 23.37 C ATOM 1137 O LEU A 490 -15.566 16.491 -23.543 1.00 23.62 O ATOM 1138 CB LEU A 490 -16.304 17.327 -20.511 1.00 22.29 C ATOM 1139 CG LEU A 490 -17.075 18.183 -19.507 1.00 22.99 C ATOM 1140 CD1 LEU A 490 -17.431 17.338 -18.270 1.00 24.76 C ATOM 1141 CD2 LEU A 490 -16.255 19.399 -19.096 1.00 25.04 C ATOM 1142 H LEU A 490 -17.656 18.044 -22.835 1.00 0.00 H ATOM 1143 N LEU A 491 -13.720 17.030 -22.379 1.00 23.03 N ATOM 1144 CA LEU A 491 -12.738 16.194 -23.119 1.00 21.84 C ATOM 1145 C LEU A 491 -12.739 14.765 -22.604 1.00 24.60 C ATOM 1146 O LEU A 491 -12.916 14.541 -21.389 1.00 26.55 O ATOM 1147 CB LEU A 491 -11.375 16.792 -22.960 1.00 22.66 C ATOM 1148 CG LEU A 491 -11.303 18.179 -23.619 1.00 23.94 C ATOM 1149 CD1 LEU A 491 -9.946 18.728 -23.332 1.00 27.22 C ATOM 1150 CD2 LEU A 491 -11.588 18.122 -25.129 1.00 29.24 C ATOM 1151 H LEU A 491 -13.374 17.566 -21.558 1.00 0.00 H ATOM 1152 N LYS A 492 -12.504 13.790 -23.495 1.00 22.12 N ATOM 1153 CA LYS A 492 -12.537 12.394 -23.070 1.00 26.00 C ATOM 1154 C LYS A 492 -11.171 11.924 -22.473 1.00 27.63 C ATOM 1155 O LYS A 492 -10.180 11.804 -23.206 1.00 25.54 O ATOM 1156 CB LYS A 492 -13.044 11.493 -24.251 1.00 27.90 C ATOM 1157 CG LYS A 492 -13.151 10.027 -23.812 1.00 29.84 C ATOM 1158 CD LYS A 492 -13.753 9.165 -24.911 1.00 33.12 C ATOM 1159 CE LYS A 492 -13.909 7.750 -24.431 1.00 35.77 C ATOM 1160 NZ LYS A 492 -14.306 6.907 -25.569 1.00 40.50 N ATOM 1161 HZ1 LYS A 492 -15.208 7.251 -25.956 1.00 0.00 H ATOM 1162 HZ2 LYS A 492 -13.572 6.952 -26.305 1.00 0.00 H ATOM 1163 HZ3 LYS A 492 -14.417 5.924 -25.248 1.00 0.00 H ATOM 1164 H LYS A 492 -12.299 14.028 -24.486 1.00 0.00 H ATOM 1165 N ALA A 493 -11.074 11.654 -21.164 1.00 21.79 N ATOM 1166 CA ALA A 493 -9.810 11.122 -20.608 1.00 22.60 C ATOM 1167 C ALA A 493 -9.555 9.693 -21.122 1.00 25.34 C ATOM 1168 O ALA A 493 -10.468 8.880 -21.226 1.00 25.62 O ATOM 1169 CB ALA A 493 -9.852 11.089 -19.103 1.00 20.52 C ATOM 1170 H ALA A 493 -11.888 11.819 -20.538 1.00 0.00 H ATOM 1171 N GLY A 494 -8.289 9.418 -21.433 1.00 27.14 N ATOM 1172 CA GLY A 494 -7.858 8.125 -21.944 1.00 28.69 C ATOM 1173 C GLY A 494 -8.340 7.821 -23.370 1.00 29.37 C ATOM 1174 O GLY A 494 -8.496 6.644 -23.754 1.00 32.87 O ATOM 1175 H GLY A 494 -7.575 10.163 -21.305 1.00 0.00 H ATOM 1176 N ALA A 495 -8.639 8.842 -24.132 1.00 27.67 N ATOM 1177 CA ALA A 495 -9.285 8.640 -25.451 1.00 34.26 C ATOM 1178 C ALA A 495 -8.265 7.982 -26.396 1.00 38.42 C ATOM 1179 O ALA A 495 -8.648 7.359 -27.376 1.00 39.11 O ATOM 1180 CB ALA A 495 -9.685 9.981 -26.040 1.00 34.96 C ATOM 1181 H ALA A 495 -8.421 9.806 -23.809 1.00 0.00 H ATOM 1182 N ASN A 496 -6.980 8.157 -26.073 1.00 38.97 N ATOM 1183 CA ASN A 496 -5.846 7.482 -26.794 1.00 53.10 C ATOM 1184 C ASN A 496 -5.524 6.011 -26.357 1.00 54.98 C ATOM 1185 O ASN A 496 -4.645 5.376 -26.971 1.00 51.56 O ATOM 1186 CB ASN A 496 -4.547 8.337 -26.718 1.00 50.77 C ATOM 1187 CG ASN A 496 -4.053 8.602 -25.267 1.00 51.69 C ATOM 1188 OD1 ASN A 496 -4.838 8.635 -24.325 1.00 46.44 O ATOM 1189 ND2 ASN A 496 -2.742 8.833 -25.109 1.00 50.41 N ATOM 1190 HD22 ASN A 496 -2.105 8.797 -25.930 1.00 0.00 H ATOM 1191 HD21 ASN A 496 -2.362 9.048 -24.165 1.00 0.00 H ATOM 1192 H ASN A 496 -6.753 8.793 -25.282 1.00 0.00 H ATOM 1193 N ILE A 497 -6.193 5.481 -25.324 1.00 44.76 N ATOM 1194 CA ILE A 497 -5.776 4.208 -24.739 1.00 44.57 C ATOM 1195 C ILE A 497 -6.470 3.048 -25.479 1.00 51.79 C ATOM 1196 O ILE A 497 -7.693 3.053 -25.638 1.00 46.59 O ATOM 1197 CB ILE A 497 -6.057 4.122 -23.229 1.00 45.12 C ATOM 1198 CG1 ILE A 497 -5.334 5.269 -22.467 1.00 48.61 C ATOM 1199 CG2 ILE A 497 -5.632 2.745 -22.729 1.00 47.04 C ATOM 1200 CD1 ILE A 497 -5.241 5.174 -20.920 1.00 47.34 C ATOM 1201 H ILE A 497 -7.018 5.981 -24.934 1.00 0.00 H TER 1202 ILE A 497 ATOM 1203 N LEU A 508 -20.927 -4.213 -16.903 1.00 39.66 N ATOM 1204 CA LEU A 508 -20.828 -2.720 -16.761 1.00 36.57 C ATOM 1205 C LEU A 508 -20.848 -2.236 -15.295 1.00 31.78 C ATOM 1206 O LEU A 508 -21.839 -2.311 -14.635 1.00 31.93 O ATOM 1207 CB LEU A 508 -21.981 -2.046 -17.469 1.00 39.56 C ATOM 1208 CG LEU A 508 -21.798 -0.867 -18.450 1.00 43.22 C ATOM 1209 CD1 LEU A 508 -22.792 0.255 -18.231 1.00 40.73 C ATOM 1210 CD2 LEU A 508 -20.408 -0.309 -18.616 1.00 39.65 C ATOM 1211 HN3 LEU A 508 -21.818 -4.542 -16.479 1.00 0.00 H ATOM 1212 HN2 LEU A 508 -20.124 -4.660 -16.417 1.00 0.00 H ATOM 1213 HN1 LEU A 508 -20.908 -4.466 -17.912 1.00 0.00 H ATOM 1214 N PRO A 509 -19.760 -1.671 -14.804 1.00 31.19 N ATOM 1215 CA PRO A 509 -19.822 -1.243 -13.429 1.00 31.92 C ATOM 1216 C PRO A 509 -20.536 0.076 -13.272 1.00 31.88 C ATOM 1217 O PRO A 509 -20.749 0.839 -14.244 1.00 34.52 O ATOM 1218 CB PRO A 509 -18.361 -1.107 -13.035 1.00 31.41 C ATOM 1219 CG PRO A 509 -17.641 -0.775 -14.321 1.00 30.23 C ATOM 1220 CD PRO A 509 -18.499 -1.286 -15.456 1.00 35.07 C ATOM 1221 N TYR A 510 -20.885 0.375 -12.038 1.00 29.39 N ATOM 1222 CA TYR A 510 -21.471 1.676 -11.753 1.00 28.11 C ATOM 1223 C TYR A 510 -20.681 2.385 -10.666 1.00 27.32 C ATOM 1224 O TYR A 510 -19.789 1.804 -10.018 1.00 27.10 O ATOM 1225 CB TYR A 510 -22.925 1.513 -11.395 1.00 31.77 C ATOM 1226 CG TYR A 510 -23.119 0.645 -10.224 1.00 32.61 C ATOM 1227 CD1 TYR A 510 -23.011 1.155 -8.958 1.00 34.31 C ATOM 1228 CD2 TYR A 510 -23.385 -0.715 -10.384 1.00 37.18 C ATOM 1229 CE1 TYR A 510 -23.174 0.338 -7.861 1.00 37.72 C ATOM 1230 CE2 TYR A 510 -23.533 -1.533 -9.305 1.00 36.76 C ATOM 1231 CZ TYR A 510 -23.424 -0.990 -8.052 1.00 38.08 C ATOM 1232 OH TYR A 510 -23.559 -1.739 -6.959 1.00 43.76 O ATOM 1233 HH TYR A 510 -23.448 -1.171 -6.156 1.00 0.00 H ATOM 1234 H TYR A 510 -20.743 -0.314 -11.272 1.00 0.00 H ATOM 1235 N LEU A 511 -20.950 3.664 -10.496 1.00 26.91 N ATOM 1236 CA LEU A 511 -20.201 4.400 -9.483 1.00 26.60 C ATOM 1237 C LEU A 511 -20.715 4.033 -8.101 1.00 28.13 C ATOM 1238 O LEU A 511 -21.856 4.332 -7.763 1.00 27.52 O ATOM 1239 CB LEU A 511 -20.285 5.921 -9.739 1.00 26.44 C ATOM 1240 CG LEU A 511 -19.394 6.847 -8.909 1.00 24.49 C ATOM 1241 CD1 LEU A 511 -17.872 6.573 -9.021 1.00 26.89 C ATOM 1242 CD2 LEU A 511 -19.729 8.271 -9.329 1.00 27.29 C ATOM 1243 H LEU A 511 -21.678 4.137 -11.069 1.00 0.00 H ATOM 1244 N ARG A 512 -19.866 3.413 -7.317 1.00 28.24 N ATOM 1245 CA ARG A 512 -20.215 3.040 -5.934 1.00 33.03 C ATOM 1246 C ARG A 512 -20.171 4.257 -4.997 1.00 33.92 C ATOM 1247 O ARG A 512 -21.183 4.568 -4.377 1.00 34.87 O ATOM 1248 CB ARG A 512 -19.315 1.886 -5.491 1.00 38.68 C ATOM 1249 CG ARG A 512 -19.438 1.471 -4.036 1.00 51.25 C ATOM 1250 CD ARG A 512 -18.896 0.066 -3.845 1.00 59.52 C ATOM 1251 NE ARG A 512 -19.694 -0.864 -4.646 1.00 72.59 N ATOM 1252 CZ ARG A 512 -20.931 -1.273 -4.339 1.00 75.69 C ATOM 1253 NH1 ARG A 512 -21.521 -0.888 -3.208 1.00 78.41 N ATOM 1254 NH2 ARG A 512 -21.581 -2.091 -5.162 1.00 69.09 N ATOM 1255 HE ARG A 512 -19.268 -1.235 -5.519 1.00 0.00 H ATOM 1256 HH12 ARG A 512 -22.483 -1.216 -2.986 1.00 0.00 H ATOM 1257 HH11 ARG A 512 -21.020 -0.260 -2.548 1.00 0.00 H ATOM 1258 HH22 ARG A 512 -22.542 -2.410 -4.926 1.00 0.00 H ATOM 1259 HH21 ARG A 512 -21.128 -2.411 -6.042 1.00 0.00 H ATOM 1260 H ARG A 512 -18.921 3.178 -7.681 1.00 0.00 H ATOM 1261 N THR A 513 -19.042 4.968 -4.923 1.00 30.51 N ATOM 1262 CA THR A 513 -18.972 6.264 -4.237 1.00 32.96 C ATOM 1263 C THR A 513 -17.907 7.094 -4.794 1.00 31.21 C ATOM 1264 O THR A 513 -17.104 6.616 -5.602 1.00 30.40 O ATOM 1265 CB THR A 513 -18.459 6.235 -2.782 1.00 41.36 C ATOM 1266 OG1 THR A 513 -18.307 4.899 -2.322 1.00 52.92 O ATOM 1267 CG2 THR A 513 -19.340 7.184 -1.892 1.00 39.26 C ATOM 1268 HG1 THR A 513 -17.978 4.908 -1.388 1.00 0.00 H ATOM 1269 H THR A 513 -18.181 4.589 -5.368 1.00 0.00 H ATOM 1270 N TRP A 514 -17.889 8.340 -4.345 1.00 26.94 N ATOM 1271 CA TRP A 514 -16.872 9.284 -4.747 1.00 27.31 C ATOM 1272 C TRP A 514 -16.757 10.359 -3.715 1.00 29.59 C ATOM 1273 O TRP A 514 -17.691 10.562 -2.914 1.00 30.69 O ATOM 1274 CB TRP A 514 -17.258 9.916 -6.058 1.00 26.07 C ATOM 1275 CG TRP A 514 -18.492 10.649 -5.968 1.00 26.49 C ATOM 1276 CD1 TRP A 514 -19.771 10.136 -6.014 1.00 28.51 C ATOM 1277 CD2 TRP A 514 -18.616 12.033 -5.835 1.00 24.27 C ATOM 1278 NE1 TRP A 514 -20.667 11.137 -5.873 1.00 29.61 N ATOM 1279 CE2 TRP A 514 -19.983 12.321 -5.766 1.00 26.43 C ATOM 1280 CE3 TRP A 514 -17.684 13.075 -5.711 1.00 25.92 C ATOM 1281 CZ2 TRP A 514 -20.466 13.598 -5.564 1.00 28.36 C ATOM 1282 CZ3 TRP A 514 -18.176 14.380 -5.540 1.00 29.74 C ATOM 1283 CH2 TRP A 514 -19.555 14.616 -5.497 1.00 27.93 C ATOM 1284 HE1 TRP A 514 -21.701 11.028 -5.850 1.00 0.00 H ATOM 1285 H TRP A 514 -18.630 8.648 -3.683 1.00 0.00 H ATOM 1286 N PHE A 515 -15.612 11.033 -3.726 1.00 28.30 N ATOM 1287 CA PHE A 515 -15.490 12.314 -3.042 1.00 29.67 C ATOM 1288 C PHE A 515 -14.410 13.169 -3.642 1.00 28.79 C ATOM 1289 O PHE A 515 -13.535 12.683 -4.393 1.00 25.64 O ATOM 1290 CB PHE A 515 -15.275 12.072 -1.568 1.00 29.86 C ATOM 1291 CG PHE A 515 -14.028 11.351 -1.269 1.00 26.80 C ATOM 1292 CD1 PHE A 515 -12.820 12.063 -1.118 1.00 29.53 C ATOM 1293 CD2 PHE A 515 -14.006 9.964 -1.135 1.00 29.14 C ATOM 1294 CE1 PHE A 515 -11.618 11.389 -0.826 1.00 30.16 C ATOM 1295 CE2 PHE A 515 -12.797 9.309 -0.836 1.00 27.97 C ATOM 1296 CZ PHE A 515 -11.614 9.997 -0.725 1.00 28.33 C ATOM 1297 H PHE A 515 -14.791 10.641 -4.230 1.00 0.00 H ATOM 1298 N ARG A 516 -14.434 14.438 -3.272 1.00 28.51 N ATOM 1299 CA ARG A 516 -13.440 15.413 -3.722 1.00 31.10 C ATOM 1300 C ARG A 516 -12.723 15.947 -2.525 1.00 35.91 C ATOM 1301 O ARG A 516 -13.318 16.116 -1.479 1.00 34.18 O ATOM 1302 CB ARG A 516 -14.056 16.569 -4.472 1.00 37.60 C ATOM 1303 CG ARG A 516 -14.681 16.119 -5.771 1.00 46.20 C ATOM 1304 CD ARG A 516 -14.788 17.227 -6.813 1.00 54.40 C ATOM 1305 NE ARG A 516 -15.899 18.133 -6.577 1.00 59.49 N ATOM 1306 CZ ARG A 516 -15.798 19.366 -6.092 1.00 64.71 C ATOM 1307 NH1 ARG A 516 -14.631 19.889 -5.749 1.00 69.15 N ATOM 1308 NH2 ARG A 516 -16.892 20.087 -5.942 1.00 71.70 N ATOM 1309 HE ARG A 516 -16.853 17.788 -6.807 1.00 0.00 H ATOM 1310 HH12 ARG A 516 -14.586 20.857 -5.372 1.00 0.00 H ATOM 1311 HH11 ARG A 516 -13.760 19.331 -5.856 1.00 0.00 H ATOM 1312 HH22 ARG A 516 -16.830 21.054 -5.564 1.00 0.00 H ATOM 1313 HH21 ARG A 516 -17.817 19.689 -6.202 1.00 0.00 H ATOM 1314 H ARG A 516 -15.191 14.757 -2.634 1.00 0.00 H ATOM 1315 N THR A 517 -11.421 16.127 -2.692 1.00 31.21 N ATOM 1316 CA THR A 517 -10.532 16.842 -1.765 1.00 31.02 C ATOM 1317 C THR A 517 -10.134 18.169 -2.475 1.00 34.49 C ATOM 1318 O THR A 517 -10.596 18.506 -3.601 1.00 29.67 O ATOM 1319 CB THR A 517 -9.257 16.010 -1.508 1.00 33.72 C ATOM 1320 OG1 THR A 517 -8.472 15.948 -2.729 1.00 30.59 O ATOM 1321 CG2 THR A 517 -9.571 14.615 -1.056 1.00 32.87 C ATOM 1322 HG1 THR A 517 -7.654 15.415 -2.567 1.00 0.00 H ATOM 1323 H THR A 517 -10.992 15.729 -3.552 1.00 0.00 H ATOM 1324 N ARG A 518 -9.225 18.912 -1.869 1.00 33.06 N ATOM 1325 CA ARG A 518 -8.726 20.102 -2.534 1.00 38.25 C ATOM 1326 C ARG A 518 -7.941 19.745 -3.795 1.00 36.51 C ATOM 1327 O ARG A 518 -7.952 20.483 -4.770 1.00 36.89 O ATOM 1328 CB ARG A 518 -7.876 20.946 -1.586 1.00 42.57 C ATOM 1329 CG ARG A 518 -7.217 22.160 -2.270 1.00 55.47 C ATOM 1330 CD ARG A 518 -6.254 22.934 -1.361 1.00 61.26 C ATOM 1331 NE ARG A 518 -5.531 22.037 -0.452 1.00 70.10 N ATOM 1332 CZ ARG A 518 -4.503 21.248 -0.792 1.00 75.30 C ATOM 1333 NH1 ARG A 518 -3.946 20.458 0.119 1.00 72.46 N ATOM 1334 NH2 ARG A 518 -4.029 21.235 -2.036 1.00 84.07 N ATOM 1335 HE ARG A 518 -5.843 22.012 0.540 1.00 0.00 H ATOM 1336 HH12 ARG A 518 -3.148 19.845 -0.143 1.00 0.00 H ATOM 1337 HH11 ARG A 518 -4.308 20.453 1.094 1.00 0.00 H ATOM 1338 HH22 ARG A 518 -3.230 20.616 -2.282 1.00 0.00 H ATOM 1339 HH21 ARG A 518 -4.457 21.844 -2.762 1.00 0.00 H ATOM 1340 H ARG A 518 -8.871 18.648 -0.927 1.00 0.00 H ATOM 1341 N SER A 519 -7.290 18.595 -3.780 1.00 33.54 N ATOM 1342 CA SER A 519 -6.320 18.273 -4.810 1.00 33.04 C ATOM 1343 C SER A 519 -6.846 17.254 -5.827 1.00 28.75 C ATOM 1344 O SER A 519 -6.222 17.070 -6.832 1.00 25.78 O ATOM 1345 CB SER A 519 -4.995 17.810 -4.196 1.00 37.08 C ATOM 1346 OG SER A 519 -5.144 16.715 -3.319 1.00 41.20 O ATOM 1347 HG SER A 519 -5.530 15.949 -3.812 1.00 0.00 H ATOM 1348 H SER A 519 -7.476 17.911 -3.019 1.00 0.00 H ATOM 1349 N ALA A 520 -7.942 16.565 -5.545 1.00 23.69 N ATOM 1350 CA ALA A 520 -8.324 15.429 -6.396 1.00 24.70 C ATOM 1351 C ALA A 520 -9.787 15.039 -6.241 1.00 25.75 C ATOM 1352 O ALA A 520 -10.475 15.404 -5.249 1.00 24.57 O ATOM 1353 CB ALA A 520 -7.415 14.245 -6.089 1.00 24.41 C ATOM 1354 H ALA A 520 -8.528 16.826 -4.727 1.00 0.00 H ATOM 1355 N ILE A 521 -10.275 14.326 -7.250 1.00 23.92 N ATOM 1356 CA ILE A 521 -11.473 13.569 -7.114 1.00 23.64 C ATOM 1357 C ILE A 521 -11.141 12.074 -7.101 1.00 24.92 C ATOM 1358 O ILE A 521 -10.307 11.564 -7.847 1.00 23.85 O ATOM 1359 CB ILE A 521 -12.509 13.915 -8.166 1.00 26.32 C ATOM 1360 CG1 ILE A 521 -13.818 13.169 -7.873 1.00 27.69 C ATOM 1361 CG2 ILE A 521 -11.966 13.614 -9.564 1.00 26.59 C ATOM 1362 CD1 ILE A 521 -14.956 13.607 -8.788 1.00 28.43 C ATOM 1363 H ILE A 521 -9.771 14.321 -8.160 1.00 0.00 H ATOM 1364 N ILE A 522 -11.807 11.371 -6.180 1.00 23.15 N ATOM 1365 CA ILE A 522 -11.621 9.960 -5.952 1.00 23.49 C ATOM 1366 C ILE A 522 -12.938 9.241 -6.354 1.00 24.09 C ATOM 1367 O ILE A 522 -14.059 9.566 -5.868 1.00 23.75 O ATOM 1368 CB ILE A 522 -11.240 9.671 -4.460 1.00 26.82 C ATOM 1369 CG1 ILE A 522 -9.887 10.272 -4.086 1.00 29.03 C ATOM 1370 CG2 ILE A 522 -11.240 8.159 -4.244 1.00 28.36 C ATOM 1371 CD1 ILE A 522 -9.720 11.794 -4.030 1.00 30.55 C ATOM 1372 H ILE A 522 -12.502 11.873 -5.592 1.00 0.00 H ATOM 1373 N LEU A 523 -12.814 8.256 -7.242 1.00 23.30 N ATOM 1374 CA LEU A 523 -13.960 7.549 -7.786 1.00 24.49 C ATOM 1375 C LEU A 523 -13.811 6.050 -7.598 1.00 25.92 C ATOM 1376 O LEU A 523 -12.880 5.423 -8.143 1.00 29.46 O ATOM 1377 CB LEU A 523 -14.136 7.866 -9.316 1.00 25.26 C ATOM 1378 CG LEU A 523 -14.270 9.360 -9.673 1.00 24.15 C ATOM 1379 CD1 LEU A 523 -13.472 9.709 -10.899 1.00 27.06 C ATOM 1380 CD2 LEU A 523 -15.678 9.860 -9.815 1.00 27.47 C ATOM 1381 H LEU A 523 -11.861 7.983 -7.557 1.00 0.00 H ATOM 1382 N HIS A 524 -14.805 5.434 -6.961 1.00 24.05 N ATOM 1383 CA HIS A 524 -14.787 4.006 -6.673 1.00 25.31 C ATOM 1384 C HIS A 524 -15.929 3.284 -7.429 1.00 26.92 C ATOM 1385 O HIS A 524 -17.130 3.567 -7.221 1.00 25.27 O ATOM 1386 CB HIS A 524 -14.974 3.835 -5.161 1.00 27.53 C ATOM 1387 CG HIS A 524 -14.901 2.424 -4.728 1.00 29.24 C ATOM 1388 ND1 HIS A 524 -15.607 1.941 -3.641 1.00 32.43 N ATOM 1389 CD2 HIS A 524 -14.185 1.392 -5.206 1.00 31.58 C ATOM 1390 CE1 HIS A 524 -15.301 0.675 -3.447 1.00 30.60 C ATOM 1391 NE2 HIS A 524 -14.473 0.301 -4.407 1.00 35.01 N ATOM 1392 H HIS A 524 -15.627 5.994 -6.657 1.00 0.00 H ATOM 1393 N LEU A 525 -15.556 2.425 -8.371 1.00 25.51 N ATOM 1394 CA LEU A 525 -16.492 1.720 -9.201 1.00 26.20 C ATOM 1395 C LEU A 525 -16.787 0.363 -8.564 1.00 27.38 C ATOM 1396 O LEU A 525 -15.977 -0.181 -7.769 1.00 30.33 O ATOM 1397 CB LEU A 525 -15.971 1.486 -10.609 1.00 26.07 C ATOM 1398 CG LEU A 525 -15.475 2.715 -11.350 1.00 26.81 C ATOM 1399 CD1 LEU A 525 -14.983 2.305 -12.746 1.00 29.23 C ATOM 1400 CD2 LEU A 525 -16.594 3.739 -11.474 1.00 27.90 C ATOM 1401 H LEU A 525 -14.540 2.255 -8.514 1.00 0.00 H ATOM 1402 N SER A 526 -17.950 -0.143 -8.933 1.00 27.82 N ATOM 1403 CA SER A 526 -18.526 -1.409 -8.421 1.00 29.04 C ATOM 1404 C SER A 526 -17.750 -2.660 -8.752 1.00 31.31 C ATOM 1405 O SER A 526 -17.987 -3.689 -8.137 1.00 35.32 O ATOM 1406 CB SER A 526 -19.985 -1.565 -8.841 1.00 26.43 C ATOM 1407 OG SER A 526 -20.064 -1.715 -10.244 1.00 27.06 O ATOM 1408 HG SER A 526 -21.012 -1.816 -10.511 1.00 0.00 H ATOM 1409 H SER A 526 -18.503 0.387 -9.636 1.00 0.00 H ATOM 1410 N ASN A 527 -16.853 -2.606 -9.728 1.00 31.61 N ATOM 1411 CA ASN A 527 -15.934 -3.678 -10.006 1.00 32.37 C ATOM 1412 C ASN A 527 -14.626 -3.610 -9.202 1.00 32.59 C ATOM 1413 O ASN A 527 -13.730 -4.404 -9.450 1.00 36.13 O ATOM 1414 CB ASN A 527 -15.642 -3.812 -11.514 1.00 34.76 C ATOM 1415 CG ASN A 527 -14.900 -2.596 -12.111 1.00 29.49 C ATOM 1416 OD1 ASN A 527 -14.630 -2.581 -13.303 1.00 30.13 O ATOM 1417 ND2 ASN A 527 -14.578 -1.599 -11.305 1.00 27.57 N ATOM 1418 HD22 ASN A 527 -14.824 -1.646 -10.296 1.00 0.00 H ATOM 1419 HD21 ASN A 527 -14.079 -0.767 -11.680 1.00 0.00 H ATOM 1420 H ASN A 527 -16.812 -1.751 -10.318 1.00 0.00 H ATOM 1421 N GLY A 528 -14.548 -2.668 -8.264 1.00 28.51 N ATOM 1422 CA GLY A 528 -13.413 -2.516 -7.341 1.00 30.17 C ATOM 1423 C GLY A 528 -12.373 -1.511 -7.813 1.00 29.91 C ATOM 1424 O GLY A 528 -11.460 -1.148 -7.092 1.00 28.22 O ATOM 1425 H GLY A 528 -15.339 -1.998 -8.179 1.00 0.00 H ATOM 1426 N SER A 529 -12.489 -1.054 -9.053 1.00 30.04 N ATOM 1427 CA SER A 529 -11.585 0.010 -9.538 1.00 28.75 C ATOM 1428 C SER A 529 -11.678 1.288 -8.752 1.00 26.99 C ATOM 1429 O SER A 529 -12.767 1.753 -8.421 1.00 26.83 O ATOM 1430 CB SER A 529 -11.824 0.274 -11.026 1.00 32.21 C ATOM 1431 OG SER A 529 -11.522 -0.938 -11.676 1.00 29.36 O ATOM 1432 HG SER A 529 -11.658 -0.831 -12.651 1.00 0.00 H ATOM 1433 H SER A 529 -13.217 -1.445 -9.685 1.00 0.00 H ATOM 1434 N VAL A 530 -10.520 1.860 -8.435 1.00 23.97 N ATOM 1435 CA VAL A 530 -10.447 3.131 -7.804 1.00 25.43 C ATOM 1436 C VAL A 530 -9.670 4.060 -8.733 1.00 25.70 C ATOM 1437 O VAL A 530 -8.513 3.761 -9.132 1.00 24.70 O ATOM 1438 CB VAL A 530 -9.770 3.102 -6.396 1.00 26.93 C ATOM 1439 CG1 VAL A 530 -9.622 4.506 -5.853 1.00 25.35 C ATOM 1440 CG2 VAL A 530 -10.558 2.213 -5.433 1.00 28.42 C ATOM 1441 H VAL A 530 -9.636 1.359 -8.657 1.00 0.00 H ATOM 1442 N GLN A 531 -10.282 5.198 -9.023 1.00 23.46 N ATOM 1443 CA GLN A 531 -9.669 6.176 -9.916 1.00 22.52 C ATOM 1444 C GLN A 531 -9.484 7.449 -9.148 1.00 22.90 C ATOM 1445 O GLN A 531 -10.371 7.868 -8.401 1.00 23.66 O ATOM 1446 CB GLN A 531 -10.561 6.395 -11.163 1.00 22.16 C ATOM 1447 CG GLN A 531 -9.954 7.385 -12.122 1.00 20.50 C ATOM 1448 CD GLN A 531 -10.718 7.442 -13.410 1.00 21.38 C ATOM 1449 OE1 GLN A 531 -11.357 6.481 -13.791 1.00 21.89 O ATOM 1450 NE2 GLN A 531 -10.634 8.569 -14.090 1.00 20.26 N ATOM 1451 HE22 GLN A 531 -10.072 9.361 -13.717 1.00 0.00 H ATOM 1452 HE21 GLN A 531 -11.129 8.666 -14.999 1.00 0.00 H ATOM 1453 H GLN A 531 -11.214 5.398 -8.608 1.00 0.00 H ATOM 1454 N ILE A 532 -8.316 8.078 -9.346 1.00 22.88 N ATOM 1455 CA ILE A 532 -7.986 9.355 -8.689 1.00 20.49 C ATOM 1456 C ILE A 532 -7.453 10.297 -9.767 1.00 20.51 C ATOM 1457 O ILE A 532 -6.447 9.970 -10.434 1.00 21.33 O ATOM 1458 CB ILE A 532 -6.931 9.184 -7.571 1.00 24.86 C ATOM 1459 CG1 ILE A 532 -7.394 8.116 -6.558 1.00 26.36 C ATOM 1460 CG2 ILE A 532 -6.626 10.536 -6.964 1.00 27.34 C ATOM 1461 CD1 ILE A 532 -6.303 7.727 -5.588 1.00 32.98 C ATOM 1462 H ILE A 532 -7.618 7.649 -9.986 1.00 0.00 H ATOM 1463 N ASN A 533 -8.205 11.360 -9.991 1.00 23.43 N ATOM 1464 CA ASN A 533 -7.835 12.472 -10.893 1.00 22.49 C ATOM 1465 C ASN A 533 -7.322 13.686 -10.079 1.00 23.21 C ATOM 1466 O ASN A 533 -8.105 14.279 -9.297 1.00 23.95 O ATOM 1467 CB ASN A 533 -8.981 12.948 -11.722 1.00 21.11 C ATOM 1468 CG ASN A 533 -9.510 11.891 -12.714 1.00 22.60 C ATOM 1469 OD1 ASN A 533 -9.107 10.724 -12.737 1.00 21.51 O ATOM 1470 ND2 ASN A 533 -10.457 12.338 -13.557 1.00 24.07 N ATOM 1471 HD22 ASN A 533 -10.771 13.328 -13.508 1.00 0.00 H ATOM 1472 HD21 ASN A 533 -10.875 11.694 -14.258 1.00 0.00 H ATOM 1473 H ASN A 533 -9.120 11.419 -9.499 1.00 0.00 H ATOM 1474 N PHE A 534 -6.056 14.051 -10.339 1.00 23.96 N ATOM 1475 CA PHE A 534 -5.423 15.232 -9.749 1.00 26.53 C ATOM 1476 C PHE A 534 -5.726 16.489 -10.536 1.00 28.01 C ATOM 1477 O PHE A 534 -5.417 16.567 -11.717 1.00 29.24 O ATOM 1478 CB PHE A 534 -3.917 15.033 -9.594 1.00 25.20 C ATOM 1479 CG PHE A 534 -3.541 13.859 -8.741 1.00 26.17 C ATOM 1480 CD1 PHE A 534 -3.489 13.984 -7.395 1.00 27.12 C ATOM 1481 CD2 PHE A 534 -3.250 12.636 -9.316 1.00 27.61 C ATOM 1482 CE1 PHE A 534 -3.152 12.885 -6.608 1.00 27.94 C ATOM 1483 CE2 PHE A 534 -2.942 11.511 -8.540 1.00 32.95 C ATOM 1484 CZ PHE A 534 -2.863 11.650 -7.163 1.00 30.33 C ATOM 1485 H PHE A 534 -5.497 13.465 -10.992 1.00 0.00 H ATOM 1486 N PHE A 535 -6.315 17.443 -9.827 1.00 30.68 N ATOM 1487 CA PHE A 535 -6.792 18.722 -10.352 1.00 34.80 C ATOM 1488 C PHE A 535 -5.662 19.640 -10.876 1.00 34.43 C ATOM 1489 O PHE A 535 -5.852 20.278 -11.877 1.00 38.32 O ATOM 1490 CB PHE A 535 -7.586 19.502 -9.283 1.00 33.07 C ATOM 1491 CG PHE A 535 -8.845 18.827 -8.786 1.00 38.43 C ATOM 1492 CD1 PHE A 535 -9.592 17.953 -9.583 1.00 45.97 C ATOM 1493 CD2 PHE A 535 -9.299 19.086 -7.521 1.00 37.97 C ATOM 1494 CE1 PHE A 535 -10.750 17.376 -9.095 1.00 40.70 C ATOM 1495 CE2 PHE A 535 -10.445 18.506 -7.030 1.00 40.94 C ATOM 1496 CZ PHE A 535 -11.179 17.649 -7.821 1.00 38.93 C ATOM 1497 H PHE A 535 -6.449 17.266 -8.811 1.00 0.00 H ATOM 1498 N GLN A 536 -4.522 19.707 -10.184 1.00 42.58 N ATOM 1499 CA GLN A 536 -3.459 20.708 -10.474 1.00 44.09 C ATOM 1500 C GLN A 536 -2.665 20.418 -11.771 1.00 43.78 C ATOM 1501 O GLN A 536 -2.125 21.343 -12.407 1.00 45.52 O ATOM 1502 CB GLN A 536 -2.479 20.845 -9.297 1.00 50.33 C ATOM 1503 CG GLN A 536 -3.090 21.448 -8.013 1.00 59.46 C ATOM 1504 CD GLN A 536 -3.645 22.887 -8.176 1.00 68.57 C ATOM 1505 OE1 GLN A 536 -2.888 23.863 -8.237 1.00 76.46 O ATOM 1506 NE2 GLN A 536 -4.976 23.016 -8.225 1.00 68.38 N ATOM 1507 HE22 GLN A 536 -5.582 22.173 -8.171 1.00 0.00 H ATOM 1508 HE21 GLN A 536 -5.404 23.959 -8.317 1.00 0.00 H ATOM 1509 H GLN A 536 -4.370 19.031 -9.409 1.00 0.00 H ATOM 1510 N ASP A 537 -2.559 19.157 -12.157 1.00 34.14 N ATOM 1511 CA ASP A 537 -1.777 18.856 -13.313 1.00 31.54 C ATOM 1512 C ASP A 537 -2.387 17.873 -14.278 1.00 29.72 C ATOM 1513 O ASP A 537 -1.698 17.403 -15.169 1.00 28.90 O ATOM 1514 CB ASP A 537 -0.422 18.391 -12.839 1.00 32.96 C ATOM 1515 CG ASP A 537 -0.497 17.092 -12.096 1.00 42.88 C ATOM 1516 OD1 ASP A 537 -1.626 16.582 -11.922 1.00 33.59 O ATOM 1517 OD2 ASP A 537 0.576 16.612 -11.717 1.00 40.26 O ATOM 1518 H ASP A 537 -3.036 18.399 -11.628 1.00 0.00 H ATOM 1519 N HIS A 538 -3.659 17.518 -14.062 1.00 27.80 N ATOM 1520 CA HIS A 538 -4.426 16.650 -14.943 1.00 27.51 C ATOM 1521 C HIS A 538 -3.919 15.207 -14.980 1.00 25.03 C ATOM 1522 O HIS A 538 -4.243 14.458 -15.888 1.00 24.44 O ATOM 1523 CB HIS A 538 -4.482 17.261 -16.350 1.00 28.51 C ATOM 1524 CG HIS A 538 -4.985 18.662 -16.382 1.00 30.26 C ATOM 1525 ND1 HIS A 538 -6.232 19.022 -15.924 1.00 34.63 N ATOM 1526 CD2 HIS A 538 -4.374 19.812 -16.749 1.00 31.92 C ATOM 1527 CE1 HIS A 538 -6.382 20.333 -16.041 1.00 35.31 C ATOM 1528 NE2 HIS A 538 -5.270 20.827 -16.550 1.00 32.60 N ATOM 1529 H HIS A 538 -4.129 17.886 -13.210 1.00 0.00 H ATOM 1530 N THR A 539 -3.126 14.819 -13.988 1.00 22.10 N ATOM 1531 CA THR A 539 -2.624 13.492 -13.926 1.00 22.72 C ATOM 1532 C THR A 539 -3.640 12.605 -13.209 1.00 22.21 C ATOM 1533 O THR A 539 -4.477 13.114 -12.449 1.00 22.64 O ATOM 1534 CB THR A 539 -1.261 13.358 -13.236 1.00 26.06 C ATOM 1535 OG1 THR A 539 -1.317 13.803 -11.905 1.00 27.25 O ATOM 1536 CG2 THR A 539 -0.130 14.051 -14.070 1.00 29.03 C ATOM 1537 HG1 THR A 539 -1.587 14.755 -11.888 1.00 0.00 H ATOM 1538 H THR A 539 -2.868 15.498 -13.244 1.00 0.00 H ATOM 1539 N LYS A 540 -3.600 11.318 -13.535 1.00 23.14 N ATOM 1540 CA LYS A 540 -4.613 10.341 -13.035 1.00 22.71 C ATOM 1541 C LYS A 540 -4.006 9.001 -12.765 1.00 21.78 C ATOM 1542 O LYS A 540 -3.086 8.540 -13.466 1.00 24.04 O ATOM 1543 CB LYS A 540 -5.786 10.183 -14.053 1.00 21.79 C ATOM 1544 CG LYS A 540 -6.230 11.518 -14.653 1.00 23.90 C ATOM 1545 CD LYS A 540 -7.305 11.398 -15.719 1.00 23.19 C ATOM 1546 CE LYS A 540 -7.940 12.728 -16.145 1.00 24.38 C ATOM 1547 NZ LYS A 540 -6.937 13.635 -16.798 1.00 25.23 N ATOM 1548 HZ1 LYS A 540 -6.167 13.837 -16.129 1.00 0.00 H ATOM 1549 HZ2 LYS A 540 -6.550 13.170 -17.644 1.00 0.00 H ATOM 1550 HZ3 LYS A 540 -7.402 14.524 -17.072 1.00 0.00 H ATOM 1551 H LYS A 540 -2.839 10.980 -14.158 1.00 0.00 H ATOM 1552 N LEU A 541 -4.562 8.325 -11.751 1.00 24.12 N ATOM 1553 CA LEU A 541 -4.268 6.957 -11.469 1.00 23.75 C ATOM 1554 C LEU A 541 -5.539 6.150 -11.568 1.00 24.09 C ATOM 1555 O LEU A 541 -6.600 6.586 -11.063 1.00 24.85 O ATOM 1556 CB LEU A 541 -3.745 6.792 -10.022 1.00 25.28 C ATOM 1557 CG LEU A 541 -2.425 7.363 -9.558 1.00 27.16 C ATOM 1558 CD1 LEU A 541 -2.191 7.127 -8.052 1.00 30.69 C ATOM 1559 CD2 LEU A 541 -1.261 6.827 -10.366 1.00 28.25 C ATOM 1560 H LEU A 541 -5.241 8.821 -11.139 1.00 0.00 H ATOM 1561 N ILE A 542 -5.443 4.973 -12.183 1.00 23.16 N ATOM 1562 CA ILE A 542 -6.512 4.009 -12.157 1.00 24.05 C ATOM 1563 C ILE A 542 -5.976 2.749 -11.506 1.00 24.38 C ATOM 1564 O ILE A 542 -5.071 2.075 -12.047 1.00 22.51 O ATOM 1565 CB ILE A 542 -7.068 3.680 -13.577 1.00 23.76 C ATOM 1566 CG1 ILE A 542 -7.452 4.964 -14.309 1.00 24.61 C ATOM 1567 CG2 ILE A 542 -8.290 2.749 -13.464 1.00 26.87 C ATOM 1568 CD1 ILE A 542 -7.269 4.801 -15.821 1.00 26.70 C ATOM 1569 H ILE A 542 -4.569 4.743 -12.698 1.00 0.00 H ATOM 1570 N LEU A 543 -6.579 2.372 -10.384 1.00 22.45 N ATOM 1571 CA LEU A 543 -6.091 1.259 -9.606 1.00 24.16 C ATOM 1572 C LEU A 543 -7.037 0.080 -9.644 1.00 25.28 C ATOM 1573 O LEU A 543 -8.250 0.265 -9.513 1.00 25.42 O ATOM 1574 CB LEU A 543 -5.974 1.705 -8.147 1.00 26.74 C ATOM 1575 CG LEU A 543 -4.951 2.786 -7.937 1.00 30.34 C ATOM 1576 CD1 LEU A 543 -5.404 3.804 -6.908 1.00 32.62 C ATOM 1577 CD2 LEU A 543 -3.640 2.126 -7.549 1.00 33.52 C ATOM 1578 H LEU A 543 -7.420 2.890 -10.059 1.00 0.00 H ATOM 1579 N CYS A 544 -6.499 -1.126 -9.742 1.00 26.69 N ATOM 1580 CA CYS A 544 -7.340 -2.362 -9.734 1.00 29.07 C ATOM 1581 C CYS A 544 -6.782 -3.387 -8.805 1.00 29.97 C ATOM 1582 O CYS A 544 -5.747 -3.937 -9.102 1.00 32.43 O ATOM 1583 CB CYS A 544 -7.412 -2.974 -11.123 1.00 33.88 C ATOM 1584 SG CYS A 544 -8.369 -4.505 -11.109 1.00 45.84 S ATOM 1585 H CYS A 544 -5.466 -1.216 -9.827 1.00 0.00 H ATOM 1586 N PRO A 545 -7.406 -3.594 -7.633 1.00 29.76 N ATOM 1587 CA PRO A 545 -6.786 -4.563 -6.750 1.00 30.60 C ATOM 1588 C PRO A 545 -6.901 -6.003 -7.255 1.00 32.75 C ATOM 1589 O PRO A 545 -6.119 -6.834 -6.820 1.00 36.13 O ATOM 1590 CB PRO A 545 -7.588 -4.400 -5.447 1.00 32.30 C ATOM 1591 CG PRO A 545 -8.938 -3.938 -5.929 1.00 33.75 C ATOM 1592 CD PRO A 545 -8.658 -3.055 -7.079 1.00 30.86 C ATOM 1593 N LEU A 546 -7.846 -6.319 -8.156 1.00 32.44 N ATOM 1594 CA LEU A 546 -7.981 -7.726 -8.636 1.00 36.89 C ATOM 1595 C LEU A 546 -6.781 -8.147 -9.485 1.00 39.19 C ATOM 1596 O LEU A 546 -6.376 -9.301 -9.467 1.00 44.54 O ATOM 1597 CB LEU A 546 -9.273 -7.940 -9.467 1.00 39.51 C ATOM 1598 CG LEU A 546 -10.661 -7.437 -9.028 1.00 49.41 C ATOM 1599 CD1 LEU A 546 -11.708 -8.331 -9.691 1.00 50.31 C ATOM 1600 CD2 LEU A 546 -10.912 -7.382 -7.521 1.00 49.28 C ATOM 1601 H LEU A 546 -8.484 -5.583 -8.519 1.00 0.00 H ATOM 1602 N MET A 547 -6.245 -7.207 -10.240 1.00 39.71 N ATOM 1603 CA MET A 547 -5.090 -7.425 -11.070 1.00 44.34 C ATOM 1604 C MET A 547 -3.847 -6.941 -10.323 1.00 41.89 C ATOM 1605 O MET A 547 -2.734 -7.128 -10.810 1.00 38.91 O ATOM 1606 CB MET A 547 -5.221 -6.626 -12.366 1.00 49.80 C ATOM 1607 CG MET A 547 -6.567 -6.755 -13.062 1.00 60.97 C ATOM 1608 SD MET A 547 -6.428 -6.583 -14.849 1.00 73.40 S ATOM 1609 CE MET A 547 -5.425 -8.047 -15.191 1.00 71.92 C ATOM 1610 H MET A 547 -6.679 -6.262 -10.235 1.00 0.00 H ATOM 1611 N ALA A 548 -4.052 -6.310 -9.168 1.00 34.96 N ATOM 1612 CA ALA A 548 -3.008 -5.601 -8.409 1.00 33.67 C ATOM 1613 C ALA A 548 -2.162 -4.800 -9.387 1.00 27.32 C ATOM 1614 O ALA A 548 -0.977 -4.972 -9.484 1.00 27.01 O ATOM 1615 CB ALA A 548 -2.176 -6.548 -7.560 1.00 38.04 C ATOM 1616 H ALA A 548 -5.015 -6.319 -8.775 1.00 0.00 H ATOM 1617 N ALA A 549 -2.796 -3.867 -10.054 1.00 25.30 N ATOM 1618 CA ALA A 549 -2.111 -3.029 -11.044 1.00 25.80 C ATOM 1619 C ALA A 549 -2.533 -1.578 -10.913 1.00 25.55 C ATOM 1620 O ALA A 549 -3.614 -1.278 -10.397 1.00 25.68 O ATOM 1621 CB ALA A 549 -2.394 -3.519 -12.455 1.00 26.66 C ATOM 1622 H ALA A 549 -3.810 -3.717 -9.877 1.00 0.00 H ATOM 1623 N VAL A 550 -1.708 -0.704 -11.466 1.00 24.42 N ATOM 1624 CA VAL A 550 -2.001 0.753 -11.551 1.00 25.29 C ATOM 1625 C VAL A 550 -1.666 1.270 -12.939 1.00 27.68 C ATOM 1626 O VAL A 550 -0.583 0.960 -13.487 1.00 26.03 O ATOM 1627 CB VAL A 550 -1.224 1.570 -10.531 1.00 25.15 C ATOM 1628 CG1 VAL A 550 0.302 1.472 -10.720 1.00 26.30 C ATOM 1629 CG2 VAL A 550 -1.675 3.005 -10.555 1.00 25.22 C ATOM 1630 H VAL A 550 -0.811 -1.052 -11.861 1.00 0.00 H ATOM 1631 N THR A 551 -2.585 2.064 -13.474 1.00 25.34 N ATOM 1632 CA THR A 551 -2.319 2.841 -14.661 1.00 24.52 C ATOM 1633 C THR A 551 -2.184 4.271 -14.307 1.00 24.08 C ATOM 1634 O THR A 551 -3.031 4.833 -13.609 1.00 26.31 O ATOM 1635 CB THR A 551 -3.418 2.655 -15.686 1.00 27.09 C ATOM 1636 OG1 THR A 551 -3.493 1.287 -16.048 1.00 28.40 O ATOM 1637 CG2 THR A 551 -3.139 3.535 -17.010 1.00 28.98 C ATOM 1638 HG1 THR A 551 -2.627 1.001 -16.434 1.00 0.00 H ATOM 1639 H THR A 551 -3.521 2.128 -13.026 1.00 0.00 H ATOM 1640 N TYR A 552 -1.146 4.888 -14.846 1.00 26.40 N ATOM 1641 CA TYR A 552 -0.807 6.298 -14.655 1.00 24.75 C ATOM 1642 C TYR A 552 -0.871 6.993 -15.980 1.00 25.44 C ATOM 1643 O TYR A 552 -0.293 6.527 -16.978 1.00 24.48 O ATOM 1644 CB TYR A 552 0.590 6.483 -14.024 1.00 27.77 C ATOM 1645 CG TYR A 552 1.068 7.904 -13.787 1.00 27.55 C ATOM 1646 CD1 TYR A 552 0.330 8.796 -13.069 1.00 32.32 C ATOM 1647 CD2 TYR A 552 2.265 8.344 -14.315 1.00 36.80 C ATOM 1648 CE1 TYR A 552 0.755 10.122 -12.895 1.00 34.31 C ATOM 1649 CE2 TYR A 552 2.737 9.615 -14.083 1.00 36.22 C ATOM 1650 CZ TYR A 552 1.972 10.522 -13.380 1.00 39.24 C ATOM 1651 OH TYR A 552 2.404 11.820 -13.181 1.00 42.28 O ATOM 1652 HH TYR A 552 1.725 12.316 -12.659 1.00 0.00 H ATOM 1653 H TYR A 552 -0.519 4.325 -15.456 1.00 0.00 H ATOM 1654 N ILE A 553 -1.671 8.064 -15.980 1.00 26.20 N ATOM 1655 CA ILE A 553 -1.827 8.992 -17.087 1.00 26.61 C ATOM 1656 C ILE A 553 -1.127 10.270 -16.683 1.00 28.26 C ATOM 1657 O ILE A 553 -1.488 10.897 -15.717 1.00 24.85 O ATOM 1658 CB ILE A 553 -3.321 9.271 -17.376 1.00 27.39 C ATOM 1659 CG1 ILE A 553 -4.028 7.954 -17.724 1.00 28.25 C ATOM 1660 CG2 ILE A 553 -3.452 10.307 -18.515 1.00 31.00 C ATOM 1661 CD1 ILE A 553 -5.536 8.086 -17.902 1.00 28.40 C ATOM 1662 H ILE A 553 -2.226 8.247 -15.120 1.00 0.00 H ATOM 1663 N ASP A 554 -0.078 10.627 -17.405 1.00 27.92 N ATOM 1664 CA ASP A 554 0.764 11.747 -17.007 1.00 28.44 C ATOM 1665 C ASP A 554 0.258 12.996 -17.674 1.00 27.69 C ATOM 1666 O ASP A 554 -0.765 12.966 -18.377 1.00 28.71 O ATOM 1667 CB ASP A 554 2.260 11.465 -17.312 1.00 33.24 C ATOM 1668 CG ASP A 554 2.631 11.534 -18.808 1.00 36.77 C ATOM 1669 OD1 ASP A 554 1.828 11.853 -19.699 1.00 32.29 O ATOM 1670 OD2 ASP A 554 3.819 11.243 -19.090 1.00 43.18 O ATOM 1671 H ASP A 554 0.150 10.099 -18.272 1.00 0.00 H ATOM 1672 N GLU A 555 0.965 14.103 -17.488 1.00 29.95 N ATOM 1673 CA GLU A 555 0.420 15.407 -17.882 1.00 37.74 C ATOM 1674 C GLU A 555 0.416 15.565 -19.411 1.00 35.47 C ATOM 1675 O GLU A 555 -0.323 16.391 -19.902 1.00 36.36 O ATOM 1676 CB GLU A 555 1.149 16.602 -17.228 1.00 42.30 C ATOM 1677 CG GLU A 555 2.040 16.271 -16.061 1.00 52.91 C ATOM 1678 CD GLU A 555 3.200 15.374 -16.496 1.00 61.33 C ATOM 1679 OE1 GLU A 555 3.824 15.680 -17.549 1.00 68.92 O ATOM 1680 OE2 GLU A 555 3.452 14.343 -15.828 1.00 51.99 O ATOM 1681 H GLU A 555 1.911 14.046 -17.060 1.00 0.00 H ATOM 1682 N LYS A 556 1.196 14.761 -20.144 1.00 35.37 N ATOM 1683 CA LYS A 556 1.082 14.751 -21.633 1.00 40.01 C ATOM 1684 C LYS A 556 0.046 13.758 -22.173 1.00 38.36 C ATOM 1685 O LYS A 556 -0.114 13.614 -23.387 1.00 37.29 O ATOM 1686 CB LYS A 556 2.444 14.446 -22.267 1.00 40.08 C ATOM 1687 CG LYS A 556 3.506 15.507 -21.923 1.00 48.30 C ATOM 1688 CD LYS A 556 4.584 15.628 -23.011 1.00 46.54 C ATOM 1689 H LYS A 556 1.885 14.140 -19.674 1.00 0.00 H ATOM 1690 N ARG A 557 -0.684 13.099 -21.271 1.00 35.53 N ATOM 1691 CA ARG A 557 -1.660 12.052 -21.591 1.00 35.18 C ATOM 1692 C ARG A 557 -1.042 10.745 -22.078 1.00 32.23 C ATOM 1693 O ARG A 557 -1.732 9.861 -22.529 1.00 36.54 O ATOM 1694 CB ARG A 557 -2.735 12.546 -22.555 1.00 37.08 C ATOM 1695 CG ARG A 557 -3.358 13.859 -22.093 1.00 38.29 C ATOM 1696 CD ARG A 557 -4.455 14.308 -23.037 1.00 39.60 C ATOM 1697 NE ARG A 557 -3.976 14.659 -24.384 1.00 42.31 N ATOM 1698 CZ ARG A 557 -3.282 15.758 -24.676 1.00 41.99 C ATOM 1699 NH1 ARG A 557 -2.900 16.589 -23.706 1.00 41.24 N ATOM 1700 NH2 ARG A 557 -2.933 15.999 -25.923 1.00 39.51 N ATOM 1701 HE ARG A 557 -4.194 14.004 -25.161 1.00 0.00 H ATOM 1702 HH12 ARG A 557 -2.358 17.446 -23.939 1.00 0.00 H ATOM 1703 HH11 ARG A 557 -3.144 16.380 -22.717 1.00 0.00 H ATOM 1704 HH22 ARG A 557 -2.391 16.856 -26.155 1.00 0.00 H ATOM 1705 HH21 ARG A 557 -3.199 15.332 -26.676 1.00 0.00 H ATOM 1706 H ARG A 557 -0.551 13.345 -20.269 1.00 0.00 H ATOM 1707 N ASP A 558 0.255 10.614 -21.916 1.00 36.27 N ATOM 1708 CA ASP A 558 0.893 9.331 -22.030 1.00 39.27 C ATOM 1709 C ASP A 558 0.396 8.446 -20.867 1.00 40.02 C ATOM 1710 O ASP A 558 0.078 8.906 -19.776 1.00 35.81 O ATOM 1711 CB ASP A 558 2.427 9.492 -22.028 1.00 47.02 C ATOM 1712 CG ASP A 558 2.932 10.326 -23.214 1.00 55.88 C ATOM 1713 OD1 ASP A 558 2.514 10.070 -24.367 1.00 50.93 O ATOM 1714 OD2 ASP A 558 3.750 11.249 -22.975 1.00 66.78 O ATOM 1715 H ASP A 558 0.830 11.453 -21.701 1.00 0.00 H ATOM 1716 N PHE A 559 0.299 7.156 -21.111 1.00 39.98 N ATOM 1717 CA PHE A 559 -0.177 6.258 -20.085 1.00 42.50 C ATOM 1718 C PHE A 559 0.774 5.047 -20.003 1.00 47.57 C ATOM 1719 O PHE A 559 1.489 4.722 -20.984 1.00 40.43 O ATOM 1720 CB PHE A 559 -1.546 5.813 -20.441 1.00 39.41 C ATOM 1721 CG PHE A 559 -1.595 5.084 -21.727 1.00 47.95 C ATOM 1722 CD1 PHE A 559 -1.614 5.785 -22.944 1.00 50.08 C ATOM 1723 CD2 PHE A 559 -1.558 3.700 -21.745 1.00 48.24 C ATOM 1724 CE1 PHE A 559 -1.669 5.107 -24.153 1.00 50.55 C ATOM 1725 CE2 PHE A 559 -1.610 3.018 -22.951 1.00 48.16 C ATOM 1726 CZ PHE A 559 -1.653 3.723 -24.152 1.00 51.47 C ATOM 1727 H PHE A 559 0.566 6.783 -22.044 1.00 0.00 H ATOM 1728 N ARG A 560 0.813 4.408 -18.835 1.00 34.44 N ATOM 1729 CA ARG A 560 1.635 3.257 -18.626 1.00 36.56 C ATOM 1730 C ARG A 560 0.952 2.533 -17.483 1.00 31.78 C ATOM 1731 O ARG A 560 0.489 3.163 -16.529 1.00 25.48 O ATOM 1732 CB ARG A 560 3.068 3.601 -18.214 1.00 47.12 C ATOM 1733 CG ARG A 560 4.011 4.207 -19.263 1.00 64.60 C ATOM 1734 CD ARG A 560 4.610 3.160 -20.211 1.00 74.21 C ATOM 1735 NE ARG A 560 6.082 3.119 -20.175 1.00 85.33 N ATOM 1736 CZ ARG A 560 6.903 3.979 -20.787 1.00 92.07 C ATOM 1737 NH1 ARG A 560 6.424 5.010 -21.480 1.00101.64 N ATOM 1738 NH2 ARG A 560 8.225 3.815 -20.690 1.00 85.54 N ATOM 1739 HE ARG A 560 6.522 2.354 -19.625 1.00 0.00 H ATOM 1740 HH12 ARG A 560 7.077 5.669 -21.950 1.00 0.00 H ATOM 1741 HH11 ARG A 560 5.397 5.156 -21.552 1.00 0.00 H ATOM 1742 HH22 ARG A 560 8.868 4.481 -21.164 1.00 0.00 H ATOM 1743 HH21 ARG A 560 8.612 3.021 -20.140 1.00 0.00 H ATOM 1744 H ARG A 560 0.227 4.757 -18.050 1.00 0.00 H ATOM 1745 N THR A 561 0.895 1.238 -17.619 1.00 30.49 N ATOM 1746 CA THR A 561 0.328 0.340 -16.605 1.00 30.96 C ATOM 1747 C THR A 561 1.475 -0.487 -16.014 1.00 29.18 C ATOM 1748 O THR A 561 2.344 -0.992 -16.774 1.00 30.75 O ATOM 1749 CB THR A 561 -0.701 -0.588 -17.260 1.00 30.01 C ATOM 1750 OG1 THR A 561 -1.715 0.211 -17.892 1.00 32.84 O ATOM 1751 CG2 THR A 561 -1.339 -1.491 -16.216 1.00 27.89 C ATOM 1752 HG1 THR A 561 -2.159 0.777 -17.212 1.00 0.00 H ATOM 1753 H THR A 561 1.271 0.818 -18.493 1.00 0.00 H ATOM 1754 N TYR A 562 1.444 -0.614 -14.676 1.00 24.00 N ATOM 1755 CA TYR A 562 2.462 -1.262 -13.889 1.00 24.88 C ATOM 1756 C TYR A 562 1.822 -2.268 -12.984 1.00 26.79 C ATOM 1757 O TYR A 562 0.720 -2.023 -12.453 1.00 24.48 O ATOM 1758 CB TYR A 562 3.206 -0.233 -13.023 1.00 25.40 C ATOM 1759 CG TYR A 562 3.825 0.858 -13.783 1.00 26.00 C ATOM 1760 CD1 TYR A 562 5.022 0.664 -14.406 1.00 27.91 C ATOM 1761 CD2 TYR A 562 3.175 2.089 -13.939 1.00 28.89 C ATOM 1762 CE1 TYR A 562 5.595 1.668 -15.162 1.00 33.14 C ATOM 1763 CE2 TYR A 562 3.754 3.091 -14.672 1.00 29.22 C ATOM 1764 CZ TYR A 562 4.965 2.867 -15.253 1.00 30.62 C ATOM 1765 OH TYR A 562 5.537 3.838 -15.959 1.00 32.06 O ATOM 1766 HH TYR A 562 5.685 4.625 -15.377 1.00 0.00 H ATOM 1767 H TYR A 562 0.626 -0.216 -14.173 1.00 0.00 H ATOM 1768 N ARG A 563 2.499 -3.402 -12.796 1.00 24.91 N ATOM 1769 CA ARG A 563 2.122 -4.382 -11.822 1.00 25.85 C ATOM 1770 C ARG A 563 2.656 -3.929 -10.450 1.00 22.01 C ATOM 1771 O ARG A 563 3.849 -3.676 -10.248 1.00 22.04 O ATOM 1772 CB ARG A 563 2.667 -5.762 -12.265 1.00 30.39 C ATOM 1773 CG ARG A 563 2.167 -6.970 -11.507 1.00 42.82 C ATOM 1774 CD ARG A 563 0.767 -7.370 -11.954 1.00 46.86 C ATOM 1775 NE ARG A 563 0.860 -8.203 -13.124 1.00 60.85 N ATOM 1776 CZ ARG A 563 0.998 -9.526 -13.094 1.00 54.92 C ATOM 1777 NH1 ARG A 563 1.066 -10.181 -11.926 1.00 56.62 N ATOM 1778 NH2 ARG A 563 1.092 -10.187 -14.240 1.00 60.02 N ATOM 1779 HE ARG A 563 0.816 -7.740 -14.054 1.00 0.00 H ATOM 1780 HH12 ARG A 563 1.174 -11.215 -11.915 1.00 0.00 H ATOM 1781 HH11 ARG A 563 1.011 -9.655 -11.031 1.00 0.00 H ATOM 1782 HH22 ARG A 563 1.200 -11.221 -14.236 1.00 0.00 H ATOM 1783 HH21 ARG A 563 1.057 -9.671 -15.142 1.00 0.00 H ATOM 1784 H ARG A 563 3.338 -3.583 -13.383 1.00 0.00 H ATOM 1785 N LEU A 564 1.783 -3.859 -9.457 1.00 22.21 N ATOM 1786 CA LEU A 564 2.191 -3.350 -8.194 1.00 23.33 C ATOM 1787 C LEU A 564 3.256 -4.204 -7.527 1.00 25.90 C ATOM 1788 O LEU A 564 4.106 -3.675 -6.784 1.00 26.06 O ATOM 1789 CB LEU A 564 0.952 -3.215 -7.256 1.00 27.69 C ATOM 1790 CG LEU A 564 -0.083 -2.135 -7.586 1.00 25.76 C ATOM 1791 CD1 LEU A 564 -1.163 -2.211 -6.506 1.00 28.58 C ATOM 1792 CD2 LEU A 564 0.522 -0.754 -7.578 1.00 27.49 C ATOM 1793 H LEU A 564 0.803 -4.175 -9.600 1.00 0.00 H ATOM 1794 N SER A 565 3.193 -5.521 -7.702 1.00 25.92 N ATOM 1795 CA SER A 565 4.228 -6.381 -7.102 1.00 27.88 C ATOM 1796 C SER A 565 5.594 -6.125 -7.726 1.00 24.17 C ATOM 1797 O SER A 565 6.628 -6.239 -7.091 1.00 24.11 O ATOM 1798 CB SER A 565 3.798 -7.865 -7.195 1.00 28.47 C ATOM 1799 OG SER A 565 3.767 -8.263 -8.556 1.00 30.08 O ATOM 1800 HG SER A 565 3.119 -7.699 -9.049 1.00 0.00 H ATOM 1801 H SER A 565 2.420 -5.940 -8.257 1.00 0.00 H ATOM 1802 N LEU A 566 5.619 -5.725 -8.987 1.00 22.51 N ATOM 1803 CA LEU A 566 6.875 -5.415 -9.652 1.00 22.43 C ATOM 1804 C LEU A 566 7.382 -4.004 -9.236 1.00 23.07 C ATOM 1805 O LEU A 566 8.617 -3.773 -9.139 1.00 25.69 O ATOM 1806 CB LEU A 566 6.724 -5.520 -11.166 1.00 21.50 C ATOM 1807 CG LEU A 566 6.527 -6.949 -11.670 1.00 23.99 C ATOM 1808 CD1 LEU A 566 6.371 -7.084 -13.178 1.00 25.10 C ATOM 1809 CD2 LEU A 566 7.687 -7.896 -11.310 1.00 27.68 C ATOM 1810 H LEU A 566 4.726 -5.631 -9.511 1.00 0.00 H ATOM 1811 N LEU A 567 6.467 -3.077 -8.958 1.00 21.68 N ATOM 1812 CA LEU A 567 6.868 -1.795 -8.366 1.00 22.50 C ATOM 1813 C LEU A 567 7.486 -1.997 -6.968 1.00 24.16 C ATOM 1814 O LEU A 567 8.458 -1.307 -6.598 1.00 26.28 O ATOM 1815 CB LEU A 567 5.700 -0.849 -8.281 1.00 25.30 C ATOM 1816 CG LEU A 567 5.213 -0.317 -9.600 1.00 24.88 C ATOM 1817 CD1 LEU A 567 3.981 0.500 -9.315 1.00 28.13 C ATOM 1818 CD2 LEU A 567 6.243 0.480 -10.376 1.00 26.33 C ATOM 1819 H LEU A 567 5.464 -3.262 -9.161 1.00 0.00 H ATOM 1820 N GLU A 568 6.951 -2.953 -6.224 1.00 23.83 N ATOM 1821 CA GLU A 568 7.507 -3.284 -4.917 1.00 29.12 C ATOM 1822 C GLU A 568 8.953 -3.799 -5.033 1.00 30.38 C ATOM 1823 O GLU A 568 9.830 -3.479 -4.199 1.00 28.45 O ATOM 1824 CB GLU A 568 6.653 -4.313 -4.201 1.00 32.50 C ATOM 1825 CG GLU A 568 6.956 -4.364 -2.729 1.00 37.68 C ATOM 1826 CD GLU A 568 6.177 -5.440 -2.021 1.00 47.94 C ATOM 1827 OE1 GLU A 568 5.011 -5.646 -2.393 1.00 52.35 O ATOM 1828 OE2 GLU A 568 6.711 -6.045 -1.054 1.00 54.82 O ATOM 1829 H GLU A 568 6.123 -3.475 -6.576 1.00 0.00 H ATOM 1830 N GLU A 569 9.203 -4.550 -6.096 1.00 28.34 N ATOM 1831 CA GLU A 569 10.519 -5.117 -6.350 1.00 31.45 C ATOM 1832 C GLU A 569 11.503 -4.128 -6.923 1.00 27.77 C ATOM 1833 O GLU A 569 12.645 -4.156 -6.526 1.00 29.74 O ATOM 1834 CB GLU A 569 10.436 -6.359 -7.288 1.00 33.52 C ATOM 1835 CG GLU A 569 10.151 -7.629 -6.529 1.00 44.33 C ATOM 1836 CD GLU A 569 11.252 -7.905 -5.503 1.00 41.36 C ATOM 1837 OE1 GLU A 569 12.401 -8.112 -5.928 1.00 49.75 O ATOM 1838 OE2 GLU A 569 10.958 -7.855 -4.286 1.00 56.22 O ATOM 1839 H GLU A 569 8.434 -4.740 -6.770 1.00 0.00 H ATOM 1840 N TYR A 570 11.095 -3.338 -7.929 1.00 24.50 N ATOM 1841 CA TYR A 570 12.010 -2.610 -8.778 1.00 24.06 C ATOM 1842 C TYR A 570 11.957 -1.096 -8.538 1.00 28.97 C ATOM 1843 O TYR A 570 12.807 -0.343 -9.033 1.00 26.89 O ATOM 1844 CB TYR A 570 11.669 -2.911 -10.224 1.00 21.72 C ATOM 1845 CG TYR A 570 12.109 -4.312 -10.540 1.00 23.53 C ATOM 1846 CD1 TYR A 570 13.476 -4.639 -10.507 1.00 26.63 C ATOM 1847 CD2 TYR A 570 11.194 -5.324 -10.779 1.00 26.53 C ATOM 1848 CE1 TYR A 570 13.902 -5.936 -10.729 1.00 26.74 C ATOM 1849 CE2 TYR A 570 11.601 -6.643 -11.010 1.00 25.69 C ATOM 1850 CZ TYR A 570 12.974 -6.929 -10.999 1.00 25.78 C ATOM 1851 OH TYR A 570 13.469 -8.225 -11.152 1.00 25.42 O ATOM 1852 HH TYR A 570 14.458 -8.206 -11.114 1.00 0.00 H ATOM 1853 H TYR A 570 10.074 -3.246 -8.105 1.00 0.00 H ATOM 1854 N GLY A 571 10.988 -0.635 -7.738 1.00 26.53 N ATOM 1855 CA GLY A 571 10.874 0.791 -7.494 1.00 27.33 C ATOM 1856 C GLY A 571 10.204 1.625 -8.543 1.00 26.85 C ATOM 1857 O GLY A 571 9.747 1.134 -9.556 1.00 26.28 O ATOM 1858 H GLY A 571 10.320 -1.296 -7.293 1.00 0.00 H ATOM 1859 N CYS A 572 10.083 2.924 -8.261 1.00 26.76 N ATOM 1860 CA CYS A 572 9.575 3.840 -9.252 1.00 28.20 C ATOM 1861 C CYS A 572 10.013 5.236 -8.937 1.00 27.77 C ATOM 1862 O CYS A 572 10.497 5.533 -7.853 1.00 27.84 O ATOM 1863 CB CYS A 572 8.054 3.816 -9.392 1.00 32.01 C ATOM 1864 SG CYS A 572 7.194 4.362 -7.888 1.00 34.39 S ATOM 1865 H CYS A 572 10.356 3.277 -7.322 1.00 0.00 H ATOM 1866 N CYS A 573 9.933 6.071 -9.951 1.00 32.36 N ATOM 1867 CA CYS A 573 10.423 7.422 -9.822 1.00 35.97 C ATOM 1868 C CYS A 573 9.476 8.246 -8.936 1.00 33.36 C ATOM 1869 O CYS A 573 8.374 7.814 -8.615 1.00 27.62 O ATOM 1870 CB CYS A 573 10.662 8.004 -11.197 1.00 41.45 C ATOM 1871 SG CYS A 573 12.214 7.293 -11.893 1.00 61.62 S ATOM 1872 H CYS A 573 9.515 5.756 -10.849 1.00 0.00 H ATOM 1873 N LYS A 574 9.944 9.433 -8.548 1.00 29.37 N ATOM 1874 CA LYS A 574 9.250 10.311 -7.594 1.00 35.30 C ATOM 1875 C LYS A 574 7.823 10.693 -7.973 1.00 29.67 C ATOM 1876 O LYS A 574 6.992 10.759 -7.120 1.00 29.92 O ATOM 1877 CB LYS A 574 10.081 11.592 -7.406 1.00 38.91 C ATOM 1878 CG LYS A 574 11.378 11.360 -6.623 1.00 50.79 C ATOM 1879 CD LYS A 574 12.154 12.660 -6.343 1.00 58.60 C ATOM 1880 CE LYS A 574 12.534 13.420 -7.628 1.00 61.94 C ATOM 1881 NZ LYS A 574 13.449 14.580 -7.370 1.00 65.31 N ATOM 1882 HZ1 LYS A 574 12.982 15.253 -6.729 1.00 0.00 H ATOM 1883 HZ2 LYS A 574 14.328 14.236 -6.933 1.00 0.00 H ATOM 1884 HZ3 LYS A 574 13.670 15.052 -8.270 1.00 0.00 H ATOM 1885 H LYS A 574 10.851 9.756 -8.942 1.00 0.00 H ATOM 1886 N GLU A 575 7.558 10.900 -9.261 1.00 31.64 N ATOM 1887 CA GLU A 575 6.219 11.334 -9.732 1.00 32.76 C ATOM 1888 C GLU A 575 5.192 10.247 -9.362 1.00 29.10 C ATOM 1889 O GLU A 575 4.215 10.521 -8.673 1.00 29.50 O ATOM 1890 CB GLU A 575 6.149 11.597 -11.259 1.00 38.76 C ATOM 1891 CG GLU A 575 7.323 12.395 -11.811 1.00 47.74 C ATOM 1892 CD GLU A 575 8.595 11.543 -11.920 1.00 57.24 C ATOM 1893 OE1 GLU A 575 8.557 10.569 -12.708 1.00 77.97 O ATOM 1894 OE2 GLU A 575 9.608 11.810 -11.201 1.00 59.99 O ATOM 1895 H GLU A 575 8.314 10.753 -9.960 1.00 0.00 H ATOM 1896 N LEU A 576 5.459 9.024 -9.789 1.00 25.25 N ATOM 1897 CA LEU A 576 4.552 7.933 -9.447 1.00 27.38 C ATOM 1898 C LEU A 576 4.491 7.636 -7.961 1.00 25.73 C ATOM 1899 O LEU A 576 3.401 7.383 -7.456 1.00 23.04 O ATOM 1900 CB LEU A 576 4.920 6.668 -10.162 1.00 26.72 C ATOM 1901 CG LEU A 576 3.876 5.565 -10.088 1.00 28.40 C ATOM 1902 CD1 LEU A 576 2.431 6.039 -10.463 1.00 30.01 C ATOM 1903 CD2 LEU A 576 4.399 4.431 -10.961 1.00 28.29 C ATOM 1904 H LEU A 576 6.307 8.842 -10.363 1.00 0.00 H ATOM 1905 N ALA A 577 5.661 7.566 -7.307 1.00 26.25 N ATOM 1906 CA ALA A 577 5.740 7.244 -5.865 1.00 25.30 C ATOM 1907 C ALA A 577 4.882 8.222 -5.111 1.00 27.34 C ATOM 1908 O ALA A 577 4.146 7.845 -4.178 1.00 26.60 O ATOM 1909 CB ALA A 577 7.178 7.282 -5.377 1.00 28.02 C ATOM 1910 H ALA A 577 6.541 7.744 -7.831 1.00 0.00 H ATOM 1911 N SER A 578 5.007 9.510 -5.450 1.00 25.80 N ATOM 1912 CA SER A 578 4.231 10.520 -4.710 1.00 29.23 C ATOM 1913 C SER A 578 2.702 10.286 -4.806 1.00 27.25 C ATOM 1914 O SER A 578 1.899 10.365 -3.850 1.00 25.91 O ATOM 1915 CB SER A 578 4.539 11.886 -5.322 1.00 33.95 C ATOM 1916 OG SER A 578 3.736 12.774 -4.605 1.00 44.01 O ATOM 1917 HG SER A 578 2.785 12.522 -4.718 1.00 0.00 H ATOM 1918 H SER A 578 5.642 9.794 -6.223 1.00 0.00 H ATOM 1919 N ARG A 579 2.301 10.019 -6.037 1.00 24.31 N ATOM 1920 CA ARG A 579 0.919 9.781 -6.294 1.00 24.88 C ATOM 1921 C ARG A 579 0.354 8.507 -5.615 1.00 22.39 C ATOM 1922 O ARG A 579 -0.831 8.472 -5.162 1.00 23.84 O ATOM 1923 CB ARG A 579 0.770 9.805 -7.790 1.00 26.65 C ATOM 1924 CG ARG A 579 0.802 11.282 -8.230 1.00 28.29 C ATOM 1925 CD ARG A 579 0.763 11.433 -9.700 1.00 33.02 C ATOM 1926 NE ARG A 579 0.842 12.857 -10.120 1.00 33.04 N ATOM 1927 CZ ARG A 579 1.961 13.578 -10.104 1.00 39.99 C ATOM 1928 NH1 ARG A 579 3.113 13.099 -9.606 1.00 41.55 N ATOM 1929 NH2 ARG A 579 1.932 14.819 -10.547 1.00 37.53 N ATOM 1930 HE ARG A 579 -0.031 13.318 -10.447 1.00 0.00 H ATOM 1931 HH12 ARG A 579 3.968 13.692 -9.610 1.00 0.00 H ATOM 1932 HH11 ARG A 579 3.150 12.136 -9.216 1.00 0.00 H ATOM 1933 HH22 ARG A 579 2.799 15.394 -10.540 1.00 0.00 H ATOM 1934 HH21 ARG A 579 1.042 15.223 -10.903 1.00 0.00 H ATOM 1935 H ARG A 579 2.991 9.983 -6.815 1.00 0.00 H ATOM 1936 N LEU A 580 1.178 7.449 -5.579 1.00 23.28 N ATOM 1937 CA LEU A 580 0.781 6.283 -4.881 1.00 23.10 C ATOM 1938 C LEU A 580 0.679 6.498 -3.360 1.00 21.68 C ATOM 1939 O LEU A 580 -0.095 5.809 -2.667 1.00 22.39 O ATOM 1940 CB LEU A 580 1.756 5.140 -5.187 1.00 25.02 C ATOM 1941 CG LEU A 580 1.660 4.620 -6.638 1.00 24.16 C ATOM 1942 CD1 LEU A 580 2.756 3.608 -6.824 1.00 26.80 C ATOM 1943 CD2 LEU A 580 0.324 4.012 -6.988 1.00 27.95 C ATOM 1944 H LEU A 580 2.100 7.485 -6.059 1.00 0.00 H ATOM 1945 N ARG A 581 1.524 7.362 -2.802 1.00 24.56 N ATOM 1946 CA ARG A 581 1.394 7.678 -1.363 1.00 24.92 C ATOM 1947 C ARG A 581 0.064 8.387 -1.117 1.00 25.00 C ATOM 1948 O ARG A 581 -0.647 8.075 -0.187 1.00 22.53 O ATOM 1949 CB ARG A 581 2.542 8.549 -0.891 1.00 27.80 C ATOM 1950 CG ARG A 581 3.849 7.821 -0.765 1.00 30.59 C ATOM 1951 CD ARG A 581 4.822 8.597 0.135 1.00 34.12 C ATOM 1952 NE ARG A 581 5.144 9.914 -0.395 1.00 38.20 N ATOM 1953 CZ ARG A 581 6.048 10.161 -1.359 1.00 42.78 C ATOM 1954 NH1 ARG A 581 6.714 9.167 -1.943 1.00 44.09 N ATOM 1955 NH2 ARG A 581 6.267 11.415 -1.762 1.00 40.31 N ATOM 1956 HE ARG A 581 4.634 10.728 0.004 1.00 0.00 H ATOM 1957 HH12 ARG A 581 7.410 9.374 -2.687 1.00 0.00 H ATOM 1958 HH11 ARG A 581 6.538 8.183 -1.655 1.00 0.00 H ATOM 1959 HH22 ARG A 581 6.966 11.607 -2.508 1.00 0.00 H ATOM 1960 HH21 ARG A 581 5.738 12.200 -1.330 1.00 0.00 H ATOM 1961 H ARG A 581 2.269 7.811 -3.373 1.00 0.00 H ATOM 1962 N TYR A 582 -0.297 9.325 -1.994 1.00 24.58 N ATOM 1963 CA TYR A 582 -1.595 9.977 -1.887 1.00 26.06 C ATOM 1964 C TYR A 582 -2.725 8.979 -2.105 1.00 22.59 C ATOM 1965 O TYR A 582 -3.716 8.990 -1.377 1.00 26.52 O ATOM 1966 CB TYR A 582 -1.715 11.122 -2.909 1.00 26.16 C ATOM 1967 CG TYR A 582 -2.875 12.050 -2.648 1.00 28.01 C ATOM 1968 CD1 TYR A 582 -2.781 13.056 -1.677 1.00 32.16 C ATOM 1969 CD2 TYR A 582 -4.088 11.934 -3.360 1.00 25.40 C ATOM 1970 CE1 TYR A 582 -3.837 13.914 -1.421 1.00 34.14 C ATOM 1971 CE2 TYR A 582 -5.157 12.799 -3.095 1.00 28.50 C ATOM 1972 CZ TYR A 582 -5.024 13.800 -2.171 1.00 33.44 C ATOM 1973 OH TYR A 582 -6.103 14.646 -1.918 1.00 32.77 O ATOM 1974 HH TYR A 582 -6.356 15.115 -2.753 1.00 0.00 H ATOM 1975 H TYR A 582 0.353 9.593 -2.760 1.00 0.00 H ATOM 1976 N ALA A 583 -2.570 8.077 -3.065 1.00 22.48 N ATOM 1977 CA ALA A 583 -3.602 7.069 -3.291 1.00 24.24 C ATOM 1978 C ALA A 583 -3.870 6.253 -2.043 1.00 25.44 C ATOM 1979 O ALA A 583 -5.011 5.964 -1.700 1.00 23.79 O ATOM 1980 CB ALA A 583 -3.209 6.131 -4.401 1.00 23.15 C ATOM 1981 H ALA A 583 -1.714 8.088 -3.656 1.00 0.00 H ATOM 1982 N ARG A 584 -2.807 5.861 -1.362 1.00 25.36 N ATOM 1983 CA ARG A 584 -3.013 5.103 -0.148 1.00 28.85 C ATOM 1984 C ARG A 584 -3.870 5.861 0.852 1.00 26.51 C ATOM 1985 O ARG A 584 -4.789 5.291 1.410 1.00 29.80 O ATOM 1986 CB ARG A 584 -1.702 4.630 0.454 1.00 33.11 C ATOM 1987 CG ARG A 584 -1.852 3.912 1.803 1.00 39.65 C ATOM 1988 CD ARG A 584 -1.320 4.814 2.893 1.00 50.40 C ATOM 1989 NE ARG A 584 0.009 5.117 2.360 1.00 67.79 N ATOM 1990 CZ ARG A 584 1.194 4.651 2.747 1.00 59.80 C ATOM 1991 NH1 ARG A 584 1.374 3.985 3.891 1.00 60.99 N ATOM 1992 NH2 ARG A 584 2.244 5.014 2.003 1.00 52.21 N ATOM 1993 HE ARG A 584 0.030 5.791 1.568 1.00 0.00 H ATOM 1994 HH12 ARG A 584 2.321 3.641 4.149 1.00 0.00 H ATOM 1995 HH11 ARG A 584 0.567 3.811 4.524 1.00 0.00 H ATOM 1996 HH22 ARG A 584 3.198 4.683 2.253 1.00 0.00 H ATOM 1997 HH21 ARG A 584 2.107 5.627 1.174 1.00 0.00 H ATOM 1998 H ARG A 584 -1.848 6.092 -1.691 1.00 0.00 H ATOM 1999 N THR A 585 -3.566 7.130 1.067 1.00 25.09 N ATOM 2000 CA THR A 585 -4.357 7.960 1.939 1.00 30.69 C ATOM 2001 C THR A 585 -5.833 8.080 1.514 1.00 31.61 C ATOM 2002 O THR A 585 -6.740 8.132 2.339 1.00 27.49 O ATOM 2003 CB THR A 585 -3.697 9.342 2.024 1.00 36.22 C ATOM 2004 OG1 THR A 585 -2.428 9.161 2.655 1.00 43.37 O ATOM 2005 CG2 THR A 585 -4.472 10.247 2.853 1.00 41.88 C ATOM 2006 HG1 THR A 585 -1.969 10.035 2.728 1.00 0.00 H ATOM 2007 H THR A 585 -2.735 7.539 0.595 1.00 0.00 H ATOM 2008 N MET A 586 -6.087 8.132 0.212 1.00 26.96 N ATOM 2009 CA MET A 586 -7.468 8.161 -0.296 1.00 26.18 C ATOM 2010 C MET A 586 -8.251 6.872 -0.140 1.00 25.58 C ATOM 2011 O MET A 586 -9.461 6.917 0.163 1.00 27.34 O ATOM 2012 CB MET A 586 -7.457 8.569 -1.812 1.00 27.57 C ATOM 2013 CG MET A 586 -6.882 9.940 -2.086 1.00 28.98 C ATOM 2014 SD MET A 586 -7.739 11.269 -1.143 1.00 30.91 S ATOM 2015 CE MET A 586 -6.639 11.621 0.261 1.00 35.23 C ATOM 2016 H MET A 586 -5.295 8.153 -0.462 1.00 0.00 H ATOM 2017 N VAL A 587 -7.581 5.732 -0.307 1.00 23.55 N ATOM 2018 CA VAL A 587 -8.166 4.474 -0.090 1.00 28.33 C ATOM 2019 C VAL A 587 -8.565 4.342 1.411 1.00 33.31 C ATOM 2020 O VAL A 587 -9.667 3.874 1.724 1.00 32.59 O ATOM 2021 CB VAL A 587 -7.255 3.356 -0.580 1.00 29.83 C ATOM 2022 CG1 VAL A 587 -7.751 2.028 -0.016 1.00 36.80 C ATOM 2023 CG2 VAL A 587 -7.214 3.354 -2.137 1.00 28.11 C ATOM 2024 H VAL A 587 -6.587 5.776 -0.610 1.00 0.00 H ATOM 2025 N ASP A 588 -7.695 4.813 2.300 1.00 34.02 N ATOM 2026 CA ASP A 588 -8.057 4.924 3.715 1.00 37.71 C ATOM 2027 C ASP A 588 -9.350 5.711 3.922 1.00 34.78 C ATOM 2028 O ASP A 588 -10.244 5.241 4.621 1.00 36.06 O ATOM 2029 CB ASP A 588 -6.949 5.628 4.460 1.00 40.52 C ATOM 2030 CG ASP A 588 -6.031 4.688 5.113 1.00 48.83 C ATOM 2031 OD1 ASP A 588 -6.569 3.698 5.656 1.00 52.53 O ATOM 2032 OD2 ASP A 588 -4.800 4.954 5.136 1.00 54.61 O ATOM 2033 H ASP A 588 -6.747 5.106 1.987 1.00 0.00 H ATOM 2034 N LYS A 589 -9.465 6.873 3.279 1.00 33.14 N ATOM 2035 CA LYS A 589 -10.693 7.623 3.302 1.00 39.87 C ATOM 2036 C LYS A 589 -11.892 6.829 2.786 1.00 40.21 C ATOM 2037 O LYS A 589 -12.917 6.794 3.458 1.00 38.12 O ATOM 2038 CB LYS A 589 -10.569 8.955 2.572 1.00 40.94 C ATOM 2039 CG LYS A 589 -9.646 9.919 3.259 1.00 48.62 C ATOM 2040 CD LYS A 589 -10.028 11.361 2.921 1.00 60.23 C ATOM 2041 CE LYS A 589 -8.943 12.352 3.368 1.00 69.03 C ATOM 2042 NZ LYS A 589 -9.345 13.793 3.264 1.00 72.86 N ATOM 2043 HZ1 LYS A 589 -9.575 14.017 2.275 1.00 0.00 H ATOM 2044 HZ2 LYS A 589 -10.179 13.963 3.862 1.00 0.00 H ATOM 2045 HZ3 LYS A 589 -8.559 14.395 3.584 1.00 0.00 H ATOM 2046 H LYS A 589 -8.651 7.245 2.750 1.00 0.00 H ATOM 2047 N LEU A 590 -11.780 6.163 1.635 1.00 33.81 N ATOM 2048 CA LEU A 590 -12.899 5.351 1.134 1.00 37.15 C ATOM 2049 C LEU A 590 -13.339 4.330 2.126 1.00 40.44 C ATOM 2050 O LEU A 590 -14.513 4.020 2.206 1.00 41.15 O ATOM 2051 CB LEU A 590 -12.561 4.594 -0.142 1.00 34.81 C ATOM 2052 CG LEU A 590 -12.511 5.534 -1.340 1.00 38.12 C ATOM 2053 CD1 LEU A 590 -11.963 4.740 -2.531 1.00 38.74 C ATOM 2054 CD2 LEU A 590 -13.907 6.090 -1.649 1.00 39.93 C ATOM 2055 H LEU A 590 -10.896 6.219 1.089 1.00 0.00 H ATOM 2056 N LEU A 591 -12.402 3.772 2.867 1.00 40.45 N ATOM 2057 CA LEU A 591 -12.788 2.802 3.859 1.00 40.99 C ATOM 2058 C LEU A 591 -13.472 3.377 5.099 1.00 43.49 C ATOM 2059 O LEU A 591 -14.148 2.629 5.805 1.00 49.52 O ATOM 2060 CB LEU A 591 -11.591 1.971 4.292 1.00 41.87 C ATOM 2061 CG LEU A 591 -11.007 1.066 3.233 1.00 40.40 C ATOM 2062 CD1 LEU A 591 -9.566 0.766 3.616 1.00 40.26 C ATOM 2063 CD2 LEU A 591 -11.840 -0.216 3.067 1.00 41.62 C ATOM 2064 H LEU A 591 -11.402 4.028 2.737 1.00 0.00 H ATOM 2065 N SER A 592 -13.286 4.641 5.437 1.00 44.98 N ATOM 2066 CA SER A 592 -13.856 5.116 6.695 1.00 50.56 C ATOM 2067 C SER A 592 -15.362 5.083 6.549 1.00 60.92 C ATOM 2068 O SER A 592 -15.889 5.497 5.505 1.00 69.33 O ATOM 2069 CB SER A 592 -13.449 6.541 6.968 1.00 58.84 C ATOM 2070 OG SER A 592 -14.352 7.409 6.291 1.00 69.76 O ATOM 2071 HG SER A 592 -14.315 7.228 5.318 1.00 0.00 H ATOM 2072 H SER A 592 -12.746 5.283 4.822 1.00 0.00 H TER 2073 SER A 592 HETATM 2074 O HOH 1 0.785 7.252 1.881 1.00 29.53 O HETATM 2075 O HOH 2 -36.918 -2.678 -3.736 1.00 44.34 O HETATM 2076 O HOH 3 -38.102 -2.945 -7.683 1.00 37.33 O HETATM 2077 O HOH 4 18.189 -2.137 -9.217 1.00 36.57 O HETATM 2078 O HOH 5 22.230 4.498 -5.989 1.00 38.92 O HETATM 2079 O HOH 6 -34.707 -1.225 -9.616 1.00 35.23 O HETATM 2080 O HOH 7 -38.323 -1.248 -21.358 1.00 40.77 O HETATM 2081 O HOH 8 -38.604 -2.535 -11.991 1.00 36.30 O HETATM 2082 O HOH 9 -29.587 4.276 -29.910 1.00 28.62 O HETATM 2083 O HOH 10 -33.104 -7.733 -10.904 1.00 34.33 O HETATM 2084 O HOH 11 -3.337 14.271 -18.552 1.00 29.86 O HETATM 2085 O HOH 12 -31.224 -6.897 -8.487 1.00 38.49 O HETATM 2086 O HOH 13 -35.403 0.685 -2.767 1.00 48.77 O HETATM 2087 O HOH 14 -34.380 3.319 -3.871 1.00 34.48 O HETATM 2088 O HOH 15 6.864 6.251 -1.444 1.00 33.82 O HETATM 2089 O HOH 16 -26.845 20.080 -20.704 1.00 36.44 O HETATM 2090 O HOH 17 -3.565 16.708 -20.355 1.00 40.42 O HETATM 2091 O HOH 18 -21.825 -2.354 -22.695 1.00 44.65 O HETATM 2092 O HOH 19 5.047 5.403 -3.264 1.00 27.87 O HETATM 2093 O HOH 20 -21.886 3.137 -14.846 1.00 25.43 O HETATM 2094 O HOH 21 -21.820 4.202 -17.387 1.00 25.70 O HETATM 2095 O HOH 22 -22.969 21.105 -6.981 1.00 37.84 O HETATM 2096 O HOH 23 -5.982 11.146 -21.213 1.00 28.97 O HETATM 2097 O HOH 24 -19.412 12.605 -24.267 1.00 26.15 O HETATM 2098 O HOH 25 7.600 8.243 -11.849 1.00 37.76 O HETATM 2099 O HOH 26 -12.414 14.257 -26.120 1.00 38.67 O HETATM 2100 O HOH 27 -22.081 0.254 -22.421 1.00 26.96 O HETATM 2101 O HOH 28 -37.450 9.648 -12.024 1.00 29.71 O HETATM 2102 O HOH 29 -11.963 11.583 -15.871 1.00 23.35 O HETATM 2103 O HOH 30 0.909 -7.055 -8.865 1.00 37.39 O HETATM 2104 O HOH 31 -15.703 13.629 -26.228 1.00 39.92 O HETATM 2105 O HOH 32 -4.220 9.004 -21.957 1.00 35.97 O HETATM 2106 O HOH 33 -16.891 15.390 -1.816 1.00 34.71 O HETATM 2107 O HOH 34 9.621 6.162 -2.028 1.00 35.71 O HETATM 2108 O HOH 35 -4.011 18.558 -7.795 1.00 35.67 O HETATM 2109 O HOH 36 -40.505 10.972 -13.393 1.00 30.76 O HETATM 2110 O HOH 37 -23.603 11.291 -5.897 1.00 32.47 O HETATM 2111 O HOH 38 -21.876 12.257 -22.773 1.00 31.18 O HETATM 2112 O HOH 39 -19.056 -1.781 -22.655 1.00 42.89 O HETATM 2113 O HOH 40 -5.897 13.063 -19.295 1.00 30.25 O HETATM 2114 O HOH 41 2.892 0.373 -19.951 1.00 40.36 O HETATM 2115 O HOH 42 -13.060 15.495 -18.884 1.00 20.27 O HETATM 2116 O HOH 43 -7.484 15.909 -19.762 1.00 42.05 O HETATM 2117 O HOH 44 -7.079 14.948 -13.679 1.00 30.93 O HETATM 2118 O HOH 45 -11.135 13.733 -17.441 1.00 23.11 O HETATM 2119 O HOH 46 -10.790 15.317 -13.690 1.00 21.87 O HETATM 2120 O HOH 47 -10.208 18.443 -13.037 1.00 47.97 O HETATM 2121 C1 QAC A 48 -21.637 22.673 -10.421 1.00 -0.05 C HETATM 2122 C2 QAC A 48 -22.845 23.103 -10.901 1.00 -0.05 C HETATM 2123 C3 QAC A 48 -22.923 24.356 -11.502 1.00 -0.01 C HETATM 2124 C4 QAC A 48 -24.160 24.737 -12.045 1.00 0.08 C HETATM 2125 O1 QAC A 48 -24.498 26.061 -11.715 1.00 -0.38 O HETATM 2126 H QAC A 48 -25.339 26.277 -12.101 1.00 0.21 H HETATM 2127 H QAC A 48 -24.940 24.065 -11.657 1.00 0.07 H HETATM 2128 H QAC A 48 -24.110 24.646 -13.140 1.00 0.07 H HETATM 2129 C5 QAC A 48 -21.738 25.082 -11.619 1.00 -0.05 C HETATM 2130 C6 QAC A 48 -20.535 24.657 -11.101 1.00 -0.05 C HETATM 2131 C7 QAC A 48 -20.466 23.413 -10.519 1.00 0.04 C HETATM 2132 C8 QAC A 48 -19.290 22.981 -9.981 1.00 0.20 C HETATM 2133 O2 QAC A 48 -18.443 23.819 -9.705 1.00 -0.39 O HETATM 2134 N1 QAC A 48 -19.168 21.649 -9.733 1.00 -0.28 N HETATM 2135 C9 QAC A 48 -18.010 21.030 -9.161 1.00 0.05 C HETATM 2136 C10 QAC A 48 -16.893 21.117 -10.224 1.00 0.06 C HETATM 2137 C11 QAC A 48 -17.146 20.066 -11.323 1.00 0.18 C HETATM 2138 O3 QAC A 48 -18.175 19.377 -11.340 1.00 -0.40 O HETATM 2139 N QAC A 48 -16.224 20.100 -12.304 1.00 -0.26 N HETATM 2140 CA QAC A 48 -16.434 19.166 -13.416 1.00 0.14 C HETATM 2141 C QAC A 48 -15.064 18.793 -13.989 1.00 0.21 C HETATM 2142 O QAC A 48 -13.942 19.498 -13.596 1.00 -0.39 O HETATM 2143 N QAC A 48 -14.946 17.612 -14.864 1.00 -0.26 N HETATM 2144 CA QAC A 48 -13.680 17.151 -15.367 1.00 0.15 C HETATM 2145 C QAC A 48 -13.212 18.162 -16.460 1.00 0.21 C HETATM 2146 O QAC A 48 -13.867 19.211 -16.794 1.00 -0.39 O HETATM 2147 N QAC A 48 -12.028 17.874 -16.949 1.00 -0.26 N HETATM 2148 CA QAC A 48 -11.314 18.782 -17.818 1.00 0.16 C HETATM 2149 CB QAC A 48 -9.922 18.230 -18.124 1.00 0.13 C HETATM 2150 CG2 QAC A 48 -9.163 19.165 -19.085 1.00 -0.03 C HETATM 2151 H QAC A 48 -8.166 18.748 -19.291 1.00 0.03 H HETATM 2152 H QAC A 48 -9.057 20.158 -18.623 1.00 0.03 H HETATM 2153 H QAC A 48 -9.724 19.256 -20.027 1.00 0.03 H HETATM 2154 OG1 QAC A 48 -9.203 18.110 -16.879 1.00 -0.27 O HETATM 2155 P QAC A 48 -8.800 16.676 -16.300 1.00 0.20 P HETATM 2156 O1P QAC A 48 -7.996 15.982 -17.325 1.00 -0.55 O HETATM 2157 O2P QAC A 48 -8.024 16.964 -15.014 1.00 -0.55 O HETATM 2158 O3P QAC A 48 -10.119 15.976 -16.069 1.00 -0.55 O HETATM 2159 H QAC A 48 -10.017 17.238 -18.590 1.00 0.07 H HETATM 2160 C QAC A 48 -12.095 19.032 -19.088 1.00 0.20 C HETATM 2161 O QAC A 48 -12.542 18.089 -19.748 1.00 -0.39 O HETATM 2162 N QAC A 48 -12.349 20.380 -19.642 1.00 -0.30 N HETATM 2163 H QAC A 48 -12.873 20.483 -20.487 1.00 0.18 H HETATM 2164 H QAC A 48 -11.996 21.189 -19.171 1.00 0.18 H HETATM 2165 H QAC A 48 -11.196 19.742 -17.294 1.00 0.08 H HETATM 2166 H QAC A 48 -11.607 16.998 -16.713 1.00 0.19 H HETATM 2167 CB QAC A 48 -13.853 15.724 -15.866 1.00 0.08 C HETATM 2168 OG QAC A 48 -14.789 15.785 -16.928 1.00 -0.39 O HETATM 2169 H QAC A 48 -14.451 16.348 -17.614 1.00 0.21 H HETATM 2170 H QAC A 48 -14.234 15.082 -15.059 1.00 0.06 H HETATM 2171 H QAC A 48 -12.893 15.328 -16.227 1.00 0.06 H HETATM 2172 H QAC A 48 -12.938 17.146 -14.555 1.00 0.08 H HETATM 2173 H QAC A 48 -15.776 17.114 -15.117 1.00 0.19 H HETATM 2174 CB QAC A 48 -17.310 19.687 -14.551 1.00 0.04 C HETATM 2175 CG QAC A 48 -16.881 21.134 -14.994 1.00 0.06 C HETATM 2176 ND1 QAC A 48 -17.501 22.261 -14.592 1.00 -0.25 N HETATM 2177 C27 QAC A 48 -18.728 22.233 -13.796 1.00 0.06 C HETATM 2178 C28 QAC A 48 -19.775 22.137 -14.856 1.00 -0.02 C HETATM 2179 C29 QAC A 48 -21.034 21.918 -14.052 1.00 -0.05 C HETATM 2180 C30 QAC A 48 -22.330 22.215 -14.703 1.00 -0.05 C HETATM 2181 C31 QAC A 48 -23.027 21.281 -15.502 1.00 -0.05 C HETATM 2182 C32 QAC A 48 -24.575 21.190 -15.234 1.00 -0.05 C HETATM 2183 C33 QAC A 48 -24.768 19.703 -15.721 1.00 -0.04 C HETATM 2184 C34 QAC A 48 -25.914 19.453 -16.728 1.00 -0.02 C HETATM 2185 C35 QAC A 48 -27.177 19.412 -16.058 1.00 -0.04 C HETATM 2186 C36 QAC A 48 -28.145 20.420 -16.230 1.00 -0.06 C HETATM 2187 C37 QAC A 48 -29.369 20.365 -15.528 1.00 -0.07 C HETATM 2188 C38 QAC A 48 -29.643 19.291 -14.686 1.00 -0.07 C HETATM 2189 C39 QAC A 48 -28.705 18.280 -14.533 1.00 -0.07 C HETATM 2190 C40 QAC A 48 -27.488 18.345 -15.238 1.00 -0.06 C HETATM 2191 H QAC A 48 -26.775 17.535 -15.134 1.00 0.06 H HETATM 2192 H QAC A 48 -28.908 17.444 -13.874 1.00 0.06 H HETATM 2193 H QAC A 48 -30.585 19.245 -14.152 1.00 0.06 H HETATM 2194 H QAC A 48 -30.096 21.160 -15.645 1.00 0.06 H HETATM 2195 H QAC A 48 -27.949 21.244 -16.906 1.00 0.06 H HETATM 2196 H QAC A 48 -25.744 18.493 -17.237 1.00 0.04 H HETATM 2197 H QAC A 48 -25.925 20.265 -17.470 1.00 0.04 H HETATM 2198 H QAC A 48 -24.961 19.082 -14.834 1.00 0.03 H HETATM 2199 H QAC A 48 -23.829 19.382 -16.196 1.00 0.03 H HETATM 2200 H QAC A 48 -25.149 21.908 -15.838 1.00 0.03 H HETATM 2201 H QAC A 48 -24.826 21.320 -14.171 1.00 0.03 H HETATM 2202 H QAC A 48 -22.592 20.287 -15.321 1.00 0.03 H HETATM 2203 H QAC A 48 -22.880 21.559 -16.556 1.00 0.03 H HETATM 2204 H QAC A 48 -22.151 23.089 -15.347 1.00 0.03 H HETATM 2205 H QAC A 48 -23.019 22.492 -13.892 1.00 0.03 H HETATM 2206 H QAC A 48 -20.965 22.551 -13.155 1.00 0.03 H HETATM 2207 H QAC A 48 -21.052 20.860 -13.753 1.00 0.03 H HETATM 2208 H QAC A 48 -19.582 21.290 -15.530 1.00 0.03 H HETATM 2209 H QAC A 48 -19.834 23.066 -15.442 1.00 0.03 H HETATM 2210 H QAC A 48 -18.753 21.359 -13.128 1.00 0.06 H HETATM 2211 H QAC A 48 -18.842 23.152 -13.202 1.00 0.06 H HETATM 2212 CE1 QAC A 48 -16.853 23.290 -15.182 1.00 0.09 C HETATM 2213 NE2 QAC A 48 -15.794 22.781 -15.877 1.00 -0.34 N HETATM 2214 CD2 QAC A 48 -15.841 21.456 -15.762 1.00 -0.03 C HETATM 2215 H QAC A 48 -15.146 20.753 -16.219 1.00 0.03 H HETATM 2216 H QAC A 48 -17.128 24.342 -15.115 1.00 0.12 H HETATM 2217 H QAC A 48 -18.356 19.713 -14.212 1.00 0.05 H HETATM 2218 H QAC A 48 -17.220 19.008 -15.412 1.00 0.05 H HETATM 2219 H QAC A 48 -16.914 18.263 -13.011 1.00 0.08 H HETATM 2220 H QAC A 48 -15.443 20.724 -12.276 1.00 0.19 H HETATM 2221 H QAC A 48 -15.919 20.924 -9.749 1.00 0.05 H HETATM 2222 H QAC A 48 -16.890 22.122 -10.671 1.00 0.05 H HETATM 2223 H QAC A 48 -18.222 19.978 -8.919 1.00 0.05 H HETATM 2224 H QAC A 48 -17.707 21.563 -8.248 1.00 0.05 H HETATM 2225 H QAC A 48 -19.942 21.060 -9.967 1.00 0.18 H HETATM 2226 H QAC A 48 -19.658 25.292 -11.151 1.00 0.07 H HETATM 2227 H QAC A 48 -21.765 26.030 -12.145 1.00 0.06 H HETATM 2228 H QAC A 48 -23.726 22.478 -10.814 1.00 0.06 H HETATM 2229 H QAC A 48 -21.592 21.703 -9.939 1.00 0.07 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 1203 1204 1211 1212 1213 CONECT 1211 1203 CONECT 1212 1203 CONECT 1213 1203 CONECT 2121 2122 2131 2229 CONECT 2122 2121 2123 2228 CONECT 2123 2122 2124 2129 CONECT 2124 2123 2125 2127 2128 CONECT 2125 2124 2126 CONECT 2126 2125 CONECT 2127 2124 CONECT 2128 2124 CONECT 2129 2123 2130 2227 CONECT 2130 2129 2131 2226 CONECT 2131 2121 2130 2132 CONECT 2132 2131 2133 2134 CONECT 2133 2132 CONECT 2134 2132 2135 2225 CONECT 2135 2134 2136 2223 2224 CONECT 2136 2135 2137 2221 2222 CONECT 2137 2136 2138 2139 CONECT 2138 2137 CONECT 2139 2137 2140 2220 CONECT 2140 2139 2141 2174 2219 CONECT 2141 2140 2142 2143 CONECT 2142 2141 CONECT 2143 2141 2144 2173 CONECT 2144 2143 2145 2167 2172 CONECT 2145 2144 2146 2147 CONECT 2146 2145 CONECT 2147 2145 2148 2166 CONECT 2148 2147 2149 2160 2165 CONECT 2149 2148 2150 2154 2159 CONECT 2150 2149 2151 2152 2153 CONECT 2151 2150 CONECT 2152 2150 CONECT 2153 2150 CONECT 2154 2149 2155 CONECT 2155 2154 2156 2157 2158 CONECT 2156 2155 CONECT 2157 2155 CONECT 2158 2155 CONECT 2159 2149 CONECT 2160 2148 2161 2162 CONECT 2161 2160 CONECT 2162 2160 2163 2164 CONECT 2163 2162 CONECT 2164 2162 CONECT 2165 2148 CONECT 2166 2147 CONECT 2167 2144 2168 2170 2171 CONECT 2168 2167 2169 CONECT 2169 2168 CONECT 2170 2167 CONECT 2171 2167 CONECT 2172 2144 CONECT 2173 2143 CONECT 2174 2140 2175 2217 2218 CONECT 2175 2174 2176 2214 CONECT 2176 2175 2177 2212 CONECT 2177 2176 2178 2210 2211 CONECT 2178 2177 2179 2208 2209 CONECT 2179 2178 2180 2206 2207 CONECT 2180 2179 2181 2204 2205 CONECT 2181 2180 2182 2202 2203 CONECT 2182 2181 2183 2200 2201 CONECT 2183 2182 2184 2198 2199 CONECT 2184 2183 2185 2196 2197 CONECT 2185 2184 2186 2190 CONECT 2186 2185 2187 2195 CONECT 2187 2186 2188 2194 CONECT 2188 2187 2189 2193 CONECT 2189 2188 2190 2192 CONECT 2190 2185 2189 2191 CONECT 2191 2190 CONECT 2192 2189 CONECT 2193 2188 CONECT 2194 2187 CONECT 2195 2186 CONECT 2196 2184 CONECT 2197 2184 CONECT 2198 2183 CONECT 2199 2183 CONECT 2200 2182 CONECT 2201 2182 CONECT 2202 2181 CONECT 2203 2181 CONECT 2204 2180 CONECT 2205 2180 CONECT 2206 2179 CONECT 2207 2179 CONECT 2208 2178 CONECT 2209 2178 CONECT 2210 2177 CONECT 2211 2177 CONECT 2212 2176 2213 2216 CONECT 2213 2212 2214 CONECT 2214 2175 2213 2215 CONECT 2215 2214 CONECT 2216 2212 CONECT 2217 2174 CONECT 2218 2174 CONECT 2219 2140 CONECT 2220 2139 CONECT 2221 2136 CONECT 2222 2136 CONECT 2223 2135 CONECT 2224 2135 CONECT 2225 2134 CONECT 2226 2130 CONECT 2227 2129 CONECT 2228 2122 CONECT 2229 2121 MASTER 0 0 0 0 0 0 0 0 2227 2 117 17 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
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Related entries of code: 4whh
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
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RCSB PDB
PDBbind
259aa, >1Q4K_1|Chains... *
1umw
RCSB PDB
PDBbind
237aa, >1UMW_1|Chains... at 100%
3bzi
RCSB PDB
PDBbind
239aa, >3BZI_1|Chain... at 100%
3fvh
RCSB PDB
PDBbind
237aa, >3FVH_1|Chain... at 98%
3hik
RCSB PDB
PDBbind
237aa, >3HIK_1|Chain... at 100%
3rq7
RCSB PDB
PDBbind
237aa, >3RQ7_1|Chain... at 98%
4dfw
RCSB PDB
PDBbind
237aa, >4DFW_1|Chain... at 100%
4e67
RCSB PDB
PDBbind
232aa, >4E67_1|Chain... at 96%
4e9d
RCSB PDB
PDBbind
232aa, >4E9D_1|Chain... at 96%
4h71
RCSB PDB
PDBbind
240aa, >4H71_1|Chains... at 98%
4hco
RCSB PDB
PDBbind
240aa, >4HCO_1|Chains... at 98%
4lkl
RCSB PDB
PDBbind
222aa, >4LKL_1|Chain... at 100%
4lkm
RCSB PDB
PDBbind
231aa, >4LKM_1|Chains... at 100%
4o6w
RCSB PDB
PDBbind
237aa, >4O6W_1|Chain... at 98%
4o9w
RCSB PDB
PDBbind
222aa, >4O9W_1|Chain... at 100%
4rcp
RCSB PDB
PDBbind
228aa, >4RCP_1|Chain... at 100%
4whl
RCSB PDB
PDBbind
237aa, >4WHL_1|Chain... at 98%
4x9r
RCSB PDB
PDBbind
237aa, >4X9R_1|Chain... at 98%
4x9v
RCSB PDB
PDBbind
237aa, >4X9V_1|Chain... at 98%
4x9w
RCSB PDB
PDBbind
237aa, >4X9W_1|Chain... at 98%
5dms
RCSB PDB
PDBbind
237aa, >5DMS_1|Chains... at 95%
6ax4
RCSB PDB
PDBbind
237aa, >6AX4_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1apv
RCSB PDB
PDBbind
5-mer
1apw
RCSB PDB
PDBbind
5-mer
1b6j
RCSB PDB
PDBbind
5-mer
1bhf
RCSB PDB
PDBbind
5-mer
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RCSB PDB
PDBbind
5-mer
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RCSB PDB
PDBbind
5-mer
1f9e
RCSB PDB
PDBbind
5-mer
1fch
RCSB PDB
PDBbind
5-mer
1fiv
RCSB PDB
PDBbind
5-mer
1fyr
RCSB PDB
PDBbind
5-mer
1gny
RCSB PDB
PDBbind
5-mer
1gu3
RCSB PDB
PDBbind
5-mer
1h5v
RCSB PDB
PDBbind
5-mer
1h9l
RCSB PDB
PDBbind
5-mer
1hef
RCSB PDB
PDBbind
5-mer
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RCSB PDB
PDBbind
5-mer
1jq8
RCSB PDB
PDBbind
5-mer
1jq9
RCSB PDB
PDBbind
5-mer
1k9q
RCSB PDB
PDBbind
5-mer
1m7i
RCSB PDB
PDBbind
5-mer
1mf4
RCSB PDB
PDBbind
5-mer
1mhw
RCSB PDB
PDBbind
5-mer
1nh0
RCSB PDB
PDBbind
5-mer
1ny2
RCSB PDB
PDBbind
5-mer
1o9d
RCSB PDB
PDBbind
5-mer
1p02
RCSB PDB
PDBbind
5-mer
1p03
RCSB PDB
PDBbind
5-mer
1p04
RCSB PDB
PDBbind
5-mer
1p05
RCSB PDB
PDBbind
5-mer
1p06
RCSB PDB
PDBbind
5-mer
1p10
RCSB PDB
PDBbind
5-mer
1pau
RCSB PDB
PDBbind
5-mer
1qm5
RCSB PDB
PDBbind
5-mer
1qtn
RCSB PDB
PDBbind
5-mer
1shd
RCSB PDB
PDBbind
5-mer
1t37
RCSB PDB
PDBbind
5-mer
1tmb
RCSB PDB
PDBbind
5-mer
1w9u
RCSB PDB
PDBbind
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1w9v
RCSB PDB
PDBbind
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1waw
RCSB PDB
PDBbind
5-mer
1wb0
RCSB PDB
PDBbind
5-mer
1ym4
RCSB PDB
PDBbind
5-mer
1zm6
RCSB PDB
PDBbind
5-mer
2bcd
RCSB PDB
PDBbind
5-mer
2ce9
RCSB PDB
PDBbind
5-mer
2fgu
RCSB PDB
PDBbind
5-mer
2fgv
RCSB PDB
PDBbind
5-mer
2h5d
RCSB PDB
PDBbind
5-mer
2h5i
RCSB PDB
PDBbind
5-mer
2h5j
RCSB PDB
PDBbind
5-mer
2j9a
RCSB PDB
PDBbind
5-mer
2k1q
RCSB PDB
PDBbind
5-mer
2l6j
RCSB PDB
PDBbind
5-mer
2lpr
RCSB PDB
PDBbind
5-mer
2m0u
RCSB PDB
PDBbind
5-mer
2m0v
RCSB PDB
PDBbind
5-mer
2pcu
RCSB PDB
PDBbind
5-mer
2ql5
RCSB PDB
PDBbind
5-mer
2ql7
RCSB PDB
PDBbind
5-mer
2ql9
RCSB PDB
PDBbind
5-mer
2qlb
RCSB PDB
PDBbind
5-mer
2qlf
RCSB PDB
PDBbind
5-mer
2qlj
RCSB PDB
PDBbind
5-mer
3atw
RCSB PDB
PDBbind
5-mer
3ayc
RCSB PDB
PDBbind
5-mer
3c88
RCSB PDB
PDBbind
5-mer
3c89
RCSB PDB
PDBbind
5-mer
3c8a
RCSB PDB
PDBbind
5-mer
3c8b
RCSB PDB
PDBbind
5-mer
3chf
RCSB PDB
PDBbind
5-mer
3e7a
RCSB PDB
PDBbind
5-mer
3gjq
RCSB PDB
PDBbind
5-mer
3gjs
RCSB PDB
PDBbind
5-mer
3gjt
RCSB PDB
PDBbind
5-mer
3ibc
RCSB PDB
PDBbind
5-mer
3iqg
RCSB PDB
PDBbind
5-mer
3iqh
RCSB PDB
PDBbind
5-mer
3iqi
RCSB PDB
PDBbind
5-mer
3jzh
RCSB PDB
PDBbind
5-mer
3k05
RCSB PDB
PDBbind
5-mer
3k0h
RCSB PDB
PDBbind
5-mer
3k15
RCSB PDB
PDBbind
5-mer
3lpr
RCSB PDB
PDBbind
5-mer
3mp1
RCSB PDB
PDBbind
5-mer
3nin
RCSB PDB
PDBbind
5-mer
3nzw
RCSB PDB
PDBbind
5-mer
3nzx
RCSB PDB
PDBbind
5-mer
3ov1
RCSB PDB
PDBbind
5-mer
3ove
RCSB PDB
PDBbind
5-mer
3oyp
RCSB PDB
PDBbind
5-mer
3qw5
RCSB PDB
PDBbind
5-mer
3qw6
RCSB PDB
PDBbind
5-mer
3qw7
RCSB PDB
PDBbind
5-mer
3qw8
RCSB PDB
PDBbind
5-mer
3r7b
RCSB PDB
PDBbind
5-mer
3r7n
RCSB PDB
PDBbind
5-mer
3s8l
RCSB PDB
PDBbind
5-mer
3s8n
RCSB PDB
PDBbind
5-mer
3s8o
RCSB PDB
PDBbind
5-mer
3sxu
RCSB PDB
PDBbind
5-mer
3t6b
RCSB PDB
PDBbind
5-mer
3t6j
RCSB PDB
PDBbind
5-mer
3th0
RCSB PDB
PDBbind
5-mer
3u1i
RCSB PDB
PDBbind
5-mer
3u4w
RCSB PDB
PDBbind
5-mer
3vb4
RCSB PDB
PDBbind
5-mer
3vb5
RCSB PDB
PDBbind
5-mer
3vb7
RCSB PDB
PDBbind
5-mer
3wqv
RCSB PDB
PDBbind
5-mer
4czs
RCSB PDB
PDBbind
5-mer
4d8i
RCSB PDB
PDBbind
5-mer
4dkt
RCSB PDB
PDBbind
5-mer
4est
RCSB PDB
PDBbind
5-mer
4gm3
RCSB PDB
PDBbind
5-mer
4gm8
RCSB PDB
PDBbind
5-mer
4i9c
RCSB PDB
PDBbind
5-mer
4j78
RCSB PDB
PDBbind
5-mer
4j81
RCSB PDB
PDBbind
5-mer
4j82
RCSB PDB
PDBbind
5-mer
4j84
RCSB PDB
PDBbind
5-mer
4k3m
RCSB PDB
PDBbind
5-mer
4kvm
RCSB PDB
PDBbind
5-mer
4l6t
RCSB PDB
PDBbind
5-mer
4lte
RCSB PDB
PDBbind
5-mer
4omc
RCSB PDB
PDBbind
5-mer
4omd
RCSB PDB
PDBbind
5-mer
4pry
RCSB PDB
PDBbind
5-mer
4ps0
RCSB PDB
PDBbind
5-mer
4ps1
RCSB PDB
PDBbind
5-mer
4q6f
RCSB PDB
PDBbind
5-mer
4rcp
RCSB PDB
PDBbind
5-mer
4rsp
RCSB PDB
PDBbind
5-mer
4ryd
RCSB PDB
PDBbind
5-mer
4sga
RCSB PDB
PDBbind
5-mer
4whl
RCSB PDB
PDBbind
5-mer
4wvs
RCSB PDB
PDBbind
5-mer
4wvu
RCSB PDB
PDBbind
5-mer
4x13
RCSB PDB
PDBbind
5-mer
4x9w
RCSB PDB
PDBbind
5-mer
4yec
RCSB PDB
PDBbind
5-mer
4yv8
RCSB PDB
PDBbind
5-mer
4z5w
RCSB PDB
PDBbind
5-mer
4z7q
RCSB PDB
PDBbind
5-mer
4zro
RCSB PDB
PDBbind
5-mer
5axi
RCSB PDB
PDBbind
5-mer
5bmm
RCSB PDB
PDBbind
5-mer
5btr
RCSB PDB
PDBbind
5-mer
5e3a
RCSB PDB
PDBbind
5-mer
5e8f
RCSB PDB
PDBbind
5-mer
5eld
RCSB PDB
PDBbind
5-mer
5ele
RCSB PDB
PDBbind
5-mer
5elf
RCSB PDB
PDBbind
5-mer
5f5b
RCSB PDB
PDBbind
5-mer
5h7h
RCSB PDB
PDBbind
5-mer
5icv
RCSB PDB
PDBbind
5-mer
5jr6
RCSB PDB
PDBbind
5-mer
5lpr
RCSB PDB
PDBbind
5-mer
5n99
RCSB PDB
PDBbind
5-mer
5nwi
RCSB PDB
PDBbind
5-mer
5nwk
RCSB PDB
PDBbind
5-mer
5ttw
RCSB PDB
PDBbind
5-mer
5x54
RCSB PDB
PDBbind
5-mer
5yc1
RCSB PDB
PDBbind
5-mer
5zob
RCSB PDB
PDBbind
5-mer
6ax4
RCSB PDB
PDBbind
5-mer
6b5q
RCSB PDB
PDBbind
5-mer
6eqv
RCSB PDB
PDBbind
5-mer
6eqw
RCSB PDB
PDBbind
5-mer
6lpr
RCSB PDB
PDBbind
5-mer
6mub
RCSB PDB
PDBbind
5-mer
7lpr
RCSB PDB
PDBbind
5-mer
8lpr
RCSB PDB
PDBbind
5-mer
9lpr
RCSB PDB
PDBbind
5-mer
6hzb
RCSB PDB
PDBbind
5-mer
6hza
RCSB PDB
PDBbind
5-mer
6hv2
RCSB PDB
PDBbind
5-mer
6dn6
RCSB PDB
PDBbind
5-mer
Entry Information
PDB ID
4whh
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Serine/threonine-protein kinase PLK1
Ligand Name
5-mer
EC.Number
E.C.2.7.11.21
Resolution
1.9(Å)
Affinity (Kd/Ki/IC50)
IC50=0.04uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) J.Med.Chem. Vol. 58: pp. 294-304
Ligand Properties
Formula
C
3
8
H
5
5
N
7
O
1
1
P
Molecular Weight
816.857
Exact Mass
816.370
No. of atoms
112
No. of bonds
114
Polar Surface Area
301.28
LOGP Value
-0.04 (
Computed with XLOGP3
)
2.58 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 7
No. of Hydrogen Bond Acceptors: 11
No. of Rotatable Bonds: 31
No. of Nitrogen and Oxygen Atoms: 18
No. of Rings: 3
Canonical SMILES
OC[C@@H](C(=O)N[C@@H]([C@H](OP(O)(O)O)C)C(=O)N)NC(=O)[C@H](Cc1cncn1CCCCCCCCc1ccccc1)NC(=O)CCNC(=O)c1ccc(cc1)CO
InChI String
InChI=1S/C38H56N7O11P/c1-26(56-57(53,54)55)34(35(39)49)44-38(52)32(24-47)43-37(51)31(42-33(48)18-19-41-36(50)29-16-14-28(23-46)15-17-29)21-30-22-40-25-45(30)20-10-5-3-2-4-7-11-27-12-8-6-9-13-27/h6,8-9,12-17,22,25-26,31-32,34,46-47,53-55,57H,2-5,7,10-11,18-21,23-24H2,1H3,(H2,39,49)(H,41,50)(H,42,48)(H,43,51)(H,44,52)/t26-,31+,32+,34+/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):
P53350
Entrez Gene ID
NCBI Entrez Gene ID:
5347
ASD
Information of known allosteric effects of PDB entries
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