Browse entries in the PDBbind-CN Database
HEADER 4O6W_COMPLEX COMPND 4O6W_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 129 HIS LEU SER ASP MET LEU GLN GLN LEU HIS SER VAL ASN SEQRES 2 A 129 ALA SER LYS PRO SER GLU ARG GLY LEU VAL ARG GLN GLU SEQRES 3 A 129 GLU ALA GLU ASP PRO ALA CYS ILE PRO ILE PHE TRP VAL SEQRES 4 A 129 SER LYS TRP VAL ASP TYR SER ASP LYS TYR GLY LEU GLY SEQRES 5 A 129 TYR GLN LEU CYS ASP ASN SER VAL GLY VAL LEU PHE ASN SEQRES 6 A 129 ASP SER THR ARG LEU ILE LEU TYR ASN ASP GLY ASP SER SEQRES 7 A 129 LEU GLN TYR ILE GLU ARG ASP GLY THR GLU SER TYR LEU SEQRES 8 A 129 THR VAL SER SER HIS PRO ASN SER LEU MET LYS LYS ILE SEQRES 9 A 129 THR LEU LEU LYS TYR PHE ARG ASN TYR MET SER GLU HIS SEQRES 10 A 129 LEU LEU LYS ALA GLY ALA ASN ILE THR PRO ARG GLU SEQRES 1 A 88 ARG LEU PRO TYR LEU ARG THR TRP PHE ARG THR ARG SER SEQRES 2 A 88 ALA ILE ILE LEU HIS LEU SER ASN GLY SER VAL GLN ILE SEQRES 3 A 88 ASN PHE PHE GLN ASP HIS THR LYS LEU ILE LEU CYS PRO SEQRES 4 A 88 LEU MET ALA ALA VAL THR TYR ILE ASP GLU LYS ARG ASP SEQRES 5 A 88 PHE ARG THR TYR ARG LEU SER LEU LEU GLU GLU TYR GLY SEQRES 6 A 88 CYS CYS LYS GLU LEU ALA SER ARG LEU ARG TYR ALA ARG SEQRES 7 A 88 THR MET VAL ASP LYS LEU LEU SER SER ARG HET ACE A 436 125 ATOM 1 N HIS A 373 -5.135 -10.019 12.568 1.00 42.07 N ATOM 2 CA HIS A 373 -4.309 -9.552 13.674 1.00 29.36 C ATOM 3 C HIS A 373 -4.932 -8.355 14.393 1.00 29.40 C ATOM 4 O HIS A 373 -4.954 -8.311 15.621 1.00 26.91 O ATOM 5 CB HIS A 373 -2.899 -9.206 13.186 1.00 44.36 C ATOM 6 CG HIS A 373 -2.080 -10.402 12.811 1.00 41.03 C ATOM 7 ND1 HIS A 373 -1.037 -10.339 11.912 1.00 43.13 N ATOM 8 CD2 HIS A 373 -2.146 -11.692 13.219 1.00 35.38 C ATOM 9 CE1 HIS A 373 -0.500 -11.538 11.778 1.00 45.69 C ATOM 10 NE2 HIS A 373 -1.155 -12.377 12.560 1.00 51.29 N ATOM 11 HN3 HIS A 373 -5.253 -9.251 11.877 1.00 0.00 H ATOM 12 HN2 HIS A 373 -6.066 -10.307 12.930 1.00 0.00 H ATOM 13 HN1 HIS A 373 -4.673 -10.831 12.111 1.00 0.00 H ATOM 14 N LEU A 374 -5.440 -7.391 13.629 1.00 28.47 N ATOM 15 CA LEU A 374 -6.025 -6.186 14.216 1.00 27.04 C ATOM 16 C LEU A 374 -7.279 -6.487 15.031 1.00 24.17 C ATOM 17 O LEU A 374 -7.497 -5.897 16.089 1.00 24.73 O ATOM 18 CB LEU A 374 -6.341 -5.147 13.136 1.00 24.90 C ATOM 19 CG LEU A 374 -5.162 -4.395 12.520 1.00 27.16 C ATOM 20 CD1 LEU A 374 -5.649 -3.444 11.438 1.00 30.42 C ATOM 21 CD2 LEU A 374 -4.393 -3.639 13.593 1.00 28.58 C ATOM 22 H LEU A 374 -5.421 -7.497 12.595 1.00 0.00 H ATOM 23 N SER A 375 -8.106 -7.401 14.532 1.00 25.42 N ATOM 24 CA SER A 375 -9.320 -7.787 15.241 1.00 27.20 C ATOM 25 C SER A 375 -8.981 -8.440 16.577 1.00 21.14 C ATOM 26 O SER A 375 -9.628 -8.173 17.589 1.00 26.68 O ATOM 27 CB SER A 375 -10.166 -8.734 14.387 1.00 30.52 C ATOM 28 OG SER A 375 -10.552 -8.114 13.173 1.00 44.46 O ATOM 29 HG SER A 375 -9.743 -7.861 12.661 1.00 0.00 H ATOM 30 H SER A 375 -7.883 -7.848 13.620 1.00 0.00 H ATOM 31 N ASP A 376 -7.961 -9.294 16.573 1.00 26.78 N ATOM 32 CA ASP A 376 -7.495 -9.934 17.797 1.00 26.06 C ATOM 33 C ASP A 376 -6.953 -8.897 18.771 1.00 21.11 C ATOM 34 O ASP A 376 -7.208 -8.971 19.970 1.00 24.31 O ATOM 35 CB ASP A 376 -6.413 -10.974 17.495 1.00 26.97 C ATOM 36 CG ASP A 376 -6.960 -12.203 16.797 1.00 37.11 C ATOM 37 OD1 ASP A 376 -8.177 -12.460 16.904 1.00 34.03 O ATOM 38 OD2 ASP A 376 -6.168 -12.918 16.149 1.00 42.28 O ATOM 39 H ASP A 376 -7.484 -9.510 15.674 1.00 0.00 H ATOM 40 N MET A 377 -6.204 -7.931 18.246 1.00 21.95 N ATOM 41 CA MET A 377 -5.643 -6.875 19.076 1.00 19.32 C ATOM 42 C MET A 377 -6.744 -6.052 19.728 1.00 20.09 C ATOM 43 O MET A 377 -6.647 -5.686 20.899 1.00 21.67 O ATOM 44 CB MET A 377 -4.715 -5.968 18.271 1.00 19.47 C ATOM 45 CG MET A 377 -4.112 -4.850 19.109 1.00 17.77 C ATOM 46 SD MET A 377 -2.913 -3.863 18.207 1.00 19.40 S ATOM 47 CE MET A 377 -1.682 -5.106 17.830 1.00 21.28 C ATOM 48 H MET A 377 -6.016 -7.930 17.223 1.00 0.00 H ATOM 49 N LEU A 378 -7.788 -5.759 18.960 1.00 23.01 N ATOM 50 CA LEU A 378 -8.918 -4.997 19.472 1.00 25.17 C ATOM 51 C LEU A 378 -9.589 -5.739 20.623 1.00 21.33 C ATOM 52 O LEU A 378 -9.907 -5.147 21.653 1.00 25.57 O ATOM 53 CB LEU A 378 -9.932 -4.722 18.360 1.00 22.77 C ATOM 54 CG LEU A 378 -11.137 -3.871 18.763 1.00 28.62 C ATOM 55 CD1 LEU A 378 -10.706 -2.445 19.082 1.00 34.81 C ATOM 56 CD2 LEU A 378 -12.202 -3.885 17.676 1.00 38.84 C ATOM 57 H LEU A 378 -7.798 -6.081 17.971 1.00 0.00 H ATOM 58 N GLN A 379 -9.793 -7.041 20.447 1.00 24.73 N ATOM 59 CA GLN A 379 -10.413 -7.857 21.484 1.00 28.12 C ATOM 60 C GLN A 379 -9.549 -7.898 22.741 1.00 25.55 C ATOM 61 O GLN A 379 -10.061 -7.814 23.860 1.00 24.64 O ATOM 62 CB GLN A 379 -10.678 -9.276 20.969 1.00 29.96 C ATOM 63 CG GLN A 379 -11.294 -10.207 22.006 1.00 40.57 C ATOM 64 CD GLN A 379 -12.621 -9.696 22.537 1.00 53.23 C ATOM 65 OE1 GLN A 379 -13.550 -9.435 21.773 1.00 63.68 O ATOM 66 NE2 GLN A 379 -12.713 -9.547 23.855 1.00 43.15 N ATOM 67 HE22 GLN A 379 -11.902 -9.780 24.463 1.00 0.00 H ATOM 68 HE21 GLN A 379 -13.596 -9.197 24.278 1.00 0.00 H ATOM 69 H GLN A 379 -9.505 -7.486 19.552 1.00 0.00 H ATOM 70 N GLN A 380 -8.238 -8.024 22.553 1.00 25.84 N ATOM 71 CA GLN A 380 -7.303 -8.041 23.674 1.00 21.36 C ATOM 72 C GLN A 380 -7.324 -6.716 24.435 1.00 20.71 C ATOM 73 O GLN A 380 -7.363 -6.696 25.665 1.00 22.09 O ATOM 74 CB GLN A 380 -5.886 -8.353 23.184 1.00 19.76 C ATOM 75 CG GLN A 380 -5.721 -9.766 22.635 1.00 18.34 C ATOM 76 CD GLN A 380 -4.501 -9.914 21.742 1.00 22.07 C ATOM 77 OE1 GLN A 380 -3.621 -9.053 21.720 1.00 22.52 O ATOM 78 NE2 GLN A 380 -4.447 -11.009 20.992 1.00 23.29 N ATOM 79 HE22 GLN A 380 -5.212 -11.711 21.041 1.00 0.00 H ATOM 80 HE21 GLN A 380 -3.639 -11.164 20.355 1.00 0.00 H ATOM 81 H GLN A 380 -7.870 -8.113 21.584 1.00 0.00 H ATOM 82 N LEU A 381 -7.304 -5.611 23.697 1.00 21.92 N ATOM 83 CA LEU A 381 -7.337 -4.285 24.305 1.00 24.29 C ATOM 84 C LEU A 381 -8.675 -4.004 24.979 1.00 23.49 C ATOM 85 O LEU A 381 -8.724 -3.430 26.067 1.00 22.63 O ATOM 86 CB LEU A 381 -7.037 -3.213 23.258 1.00 23.77 C ATOM 87 CG LEU A 381 -5.573 -3.122 22.833 1.00 19.54 C ATOM 88 CD1 LEU A 381 -5.427 -2.189 21.644 1.00 21.98 C ATOM 89 CD2 LEU A 381 -4.714 -2.649 23.999 1.00 22.24 C ATOM 90 H LEU A 381 -7.264 -5.693 22.661 1.00 0.00 H ATOM 91 N HIS A 382 -9.762 -4.407 24.331 1.00 26.33 N ATOM 92 CA HIS A 382 -11.082 -4.222 24.911 1.00 25.49 C ATOM 93 C HIS A 382 -11.177 -4.948 26.245 1.00 23.17 C ATOM 94 O HIS A 382 -11.699 -4.411 27.222 1.00 27.32 O ATOM 95 CB HIS A 382 -12.167 -4.740 23.970 1.00 29.01 C ATOM 96 CG HIS A 382 -13.369 -5.270 24.685 1.00 33.57 C ATOM 97 ND1 HIS A 382 -13.468 -6.582 25.095 1.00 43.33 N ATOM 98 CD2 HIS A 382 -14.513 -4.664 25.081 1.00 41.69 C ATOM 99 CE1 HIS A 382 -14.623 -6.763 25.709 1.00 37.31 C ATOM 100 NE2 HIS A 382 -15.278 -5.615 25.711 1.00 40.88 N ATOM 101 H HIS A 382 -9.668 -4.859 23.399 1.00 0.00 H ATOM 102 N SER A 383 -10.664 -6.174 26.277 1.00 23.07 N ATOM 103 CA SER A 383 -10.719 -6.998 27.475 1.00 24.08 C ATOM 104 C SER A 383 -9.947 -6.375 28.636 1.00 23.80 C ATOM 105 O SER A 383 -10.437 -6.340 29.765 1.00 23.75 O ATOM 106 CB SER A 383 -10.196 -8.404 27.179 1.00 24.72 C ATOM 107 OG SER A 383 -10.467 -9.280 28.257 1.00 30.34 O ATOM 108 HG SER A 383 -11.445 -9.328 28.404 1.00 0.00 H ATOM 109 H SER A 383 -10.211 -6.555 25.422 1.00 0.00 H ATOM 110 N VAL A 384 -8.743 -5.877 28.365 1.00 23.59 N ATOM 111 CA VAL A 384 -7.959 -5.261 29.430 1.00 24.72 C ATOM 112 C VAL A 384 -8.599 -3.956 29.910 1.00 19.32 C ATOM 113 O VAL A 384 -8.718 -3.722 31.111 1.00 20.14 O ATOM 114 CB VAL A 384 -6.455 -5.080 29.059 1.00 24.03 C ATOM 115 CG1 VAL A 384 -6.269 -4.130 27.887 1.00 30.22 C ATOM 116 CG2 VAL A 384 -5.664 -4.603 30.269 1.00 30.12 C ATOM 117 H VAL A 384 -8.363 -5.927 27.398 1.00 0.00 H ATOM 118 N ASN A 385 -9.047 -3.125 28.974 1.00 21.83 N ATOM 119 CA ASN A 385 -9.667 -1.860 29.346 1.00 18.68 C ATOM 120 C ASN A 385 -10.959 -2.050 30.139 1.00 22.51 C ATOM 121 O ASN A 385 -11.234 -1.300 31.074 1.00 23.00 O ATOM 122 CB ASN A 385 -9.895 -0.975 28.117 1.00 20.78 C ATOM 123 CG ASN A 385 -8.594 -0.566 27.449 1.00 20.30 C ATOM 124 OD1 ASN A 385 -7.528 -0.627 28.057 1.00 22.16 O ATOM 125 ND2 ASN A 385 -8.676 -0.151 26.191 1.00 20.09 N ATOM 126 HD22 ASN A 385 -9.600 -0.115 25.714 1.00 0.00 H ATOM 127 HD21 ASN A 385 -7.817 0.138 25.682 1.00 0.00 H ATOM 128 H ASN A 385 -8.954 -3.379 27.970 1.00 0.00 H ATOM 129 N ALA A 386 -11.731 -3.074 29.786 1.00 22.86 N ATOM 130 CA ALA A 386 -12.986 -3.351 30.478 1.00 25.64 C ATOM 131 C ALA A 386 -12.761 -3.837 31.910 1.00 27.67 C ATOM 132 O ALA A 386 -13.665 -3.772 32.744 1.00 25.84 O ATOM 133 CB ALA A 386 -13.815 -4.362 29.695 1.00 30.49 C ATOM 134 H ALA A 386 -11.435 -3.689 29.002 1.00 0.00 H ATOM 135 N SER A 387 -11.555 -4.320 32.196 1.00 23.95 N ATOM 136 CA SER A 387 -11.231 -4.802 33.537 1.00 22.64 C ATOM 137 C SER A 387 -10.881 -3.659 34.486 1.00 26.97 C ATOM 138 O SER A 387 -10.662 -3.886 35.676 1.00 25.19 O ATOM 139 CB SER A 387 -10.087 -5.819 33.497 1.00 23.18 C ATOM 140 OG SER A 387 -8.846 -5.193 33.203 1.00 24.28 O ATOM 141 HG SER A 387 -8.903 -4.749 32.320 1.00 0.00 H ATOM 142 H SER A 387 -10.829 -4.355 31.452 1.00 0.00 H ATOM 143 N LYS A 388 -10.830 -2.439 33.952 1.00 25.50 N ATOM 144 CA LYS A 388 -10.513 -1.241 34.735 1.00 27.56 C ATOM 145 C LYS A 388 -9.252 -1.407 35.586 1.00 22.53 C ATOM 146 O LYS A 388 -9.309 -1.297 36.810 1.00 23.42 O ATOM 147 CB LYS A 388 -11.702 -0.857 35.621 1.00 27.70 C ATOM 148 CG LYS A 388 -12.923 -0.391 34.846 1.00 34.68 C ATOM 149 CD LYS A 388 -12.597 0.846 34.021 1.00 43.51 C ATOM 150 CE LYS A 388 -13.817 1.362 33.276 1.00 52.81 C ATOM 151 NZ LYS A 388 -13.496 2.577 32.473 1.00 51.73 N ATOM 152 HZ1 LYS A 388 -13.154 3.329 33.105 1.00 0.00 H ATOM 153 HZ2 LYS A 388 -12.759 2.346 31.777 1.00 0.00 H ATOM 154 HZ3 LYS A 388 -14.352 2.901 31.979 1.00 0.00 H ATOM 155 H LYS A 388 -11.023 -2.332 32.936 1.00 0.00 H ATOM 156 N PRO A 389 -8.106 -1.658 34.933 1.00 20.88 N ATOM 157 CA PRO A 389 -6.887 -2.069 35.639 1.00 22.20 C ATOM 158 C PRO A 389 -6.362 -1.059 36.663 1.00 22.17 C ATOM 159 O PRO A 389 -5.649 -1.462 37.583 1.00 22.71 O ATOM 160 CB PRO A 389 -5.873 -2.264 34.506 1.00 26.78 C ATOM 161 CG PRO A 389 -6.393 -1.435 33.382 1.00 25.13 C ATOM 162 CD PRO A 389 -7.880 -1.524 33.483 1.00 21.67 C ATOM 163 N SER A 390 -6.710 0.217 36.518 1.00 22.33 N ATOM 164 CA SER A 390 -6.192 1.243 37.418 1.00 22.51 C ATOM 165 C SER A 390 -7.214 1.727 38.445 1.00 28.41 C ATOM 166 O SER A 390 -6.906 2.588 39.269 1.00 31.33 O ATOM 167 CB SER A 390 -5.679 2.445 36.622 1.00 22.64 C ATOM 168 OG SER A 390 -6.753 3.169 36.044 1.00 27.49 O ATOM 169 HG SER A 390 -7.258 2.576 35.433 1.00 0.00 H ATOM 170 H SER A 390 -7.360 0.487 35.753 1.00 0.00 H ATOM 171 N GLU A 391 -8.423 1.179 38.399 1.00 25.31 N ATOM 172 CA GLU A 391 -9.528 1.729 39.182 1.00 34.47 C ATOM 173 C GLU A 391 -10.097 0.760 40.214 1.00 42.16 C ATOM 174 O GLU A 391 -11.245 0.900 40.637 1.00 38.77 O ATOM 175 CB GLU A 391 -10.646 2.199 38.248 1.00 29.32 C ATOM 176 CG GLU A 391 -10.191 3.189 37.188 1.00 33.67 C ATOM 177 CD GLU A 391 -11.256 3.454 36.143 1.00 56.73 C ATOM 178 OE1 GLU A 391 -12.445 3.551 36.514 1.00 47.84 O ATOM 179 OE2 GLU A 391 -10.905 3.557 34.948 1.00 52.82 O ATOM 180 H GLU A 391 -8.586 0.347 37.797 1.00 0.00 H ATOM 181 N ARG A 392 -9.298 -0.215 40.630 1.00 29.68 N ATOM 182 CA ARG A 392 -9.776 -1.218 41.574 1.00 27.86 C ATOM 183 C ARG A 392 -8.899 -1.298 42.821 1.00 35.78 C ATOM 184 O ARG A 392 -8.608 -0.278 43.447 1.00 34.18 O ATOM 185 CB ARG A 392 -9.912 -2.577 40.882 1.00 30.41 C ATOM 186 CG ARG A 392 -10.958 -2.566 39.771 1.00 28.69 C ATOM 187 CD ARG A 392 -10.845 -3.766 38.850 1.00 30.09 C ATOM 188 NE ARG A 392 -11.239 -5.011 39.503 1.00 27.05 N ATOM 189 CZ ARG A 392 -11.307 -6.185 38.883 1.00 27.77 C ATOM 190 NH1 ARG A 392 -11.011 -6.274 37.593 1.00 27.73 N ATOM 191 NH2 ARG A 392 -11.672 -7.269 39.552 1.00 28.64 N ATOM 192 HE ARG A 392 -11.481 -4.977 40.514 1.00 0.00 H ATOM 193 HH12 ARG A 392 -11.065 -7.193 37.109 1.00 0.00 H ATOM 194 HH11 ARG A 392 -10.725 -5.425 37.065 1.00 0.00 H ATOM 195 HH22 ARG A 392 -11.725 -8.187 39.066 1.00 0.00 H ATOM 196 HH21 ARG A 392 -11.906 -7.202 40.563 1.00 0.00 H ATOM 197 H ARG A 392 -8.320 -0.264 40.279 1.00 0.00 H ATOM 198 N GLY A 393 -8.484 -2.505 43.187 1.00 35.37 N ATOM 199 CA GLY A 393 -7.696 -2.689 44.392 1.00 34.24 C ATOM 200 C GLY A 393 -6.227 -2.361 44.212 1.00 32.53 C ATOM 201 O GLY A 393 -5.860 -1.523 43.388 1.00 29.22 O ATOM 202 H GLY A 393 -8.727 -3.330 42.602 1.00 0.00 H ATOM 203 N LEU A 394 -5.390 -3.031 44.999 1.00 24.47 N ATOM 204 CA LEU A 394 -3.941 -2.884 44.935 1.00 24.82 C ATOM 205 C LEU A 394 -3.404 -3.210 43.545 1.00 22.84 C ATOM 206 O LEU A 394 -3.625 -4.305 43.028 1.00 26.13 O ATOM 207 CB LEU A 394 -3.287 -3.805 45.967 1.00 30.83 C ATOM 208 CG LEU A 394 -1.764 -3.954 45.961 1.00 36.63 C ATOM 209 CD1 LEU A 394 -1.100 -2.656 46.379 1.00 27.83 C ATOM 210 CD2 LEU A 394 -1.333 -5.099 46.865 1.00 38.42 C ATOM 211 H LEU A 394 -5.789 -3.693 45.695 1.00 0.00 H ATOM 212 N VAL A 395 -2.704 -2.254 42.943 1.00 23.14 N ATOM 213 CA VAL A 395 -2.077 -2.468 41.642 1.00 22.43 C ATOM 214 C VAL A 395 -0.791 -3.272 41.795 1.00 21.41 C ATOM 215 O VAL A 395 0.117 -2.880 42.532 1.00 24.66 O ATOM 216 CB VAL A 395 -1.786 -1.134 40.927 1.00 21.91 C ATOM 217 CG1 VAL A 395 -0.855 -1.348 39.745 1.00 22.02 C ATOM 218 CG2 VAL A 395 -3.086 -0.477 40.485 1.00 28.31 C ATOM 219 H VAL A 395 -2.600 -1.331 43.410 1.00 0.00 H ATOM 220 N ARG A 396 -0.725 -4.402 41.096 1.00 20.53 N ATOM 221 CA ARG A 396 0.433 -5.283 41.150 1.00 22.45 C ATOM 222 C ARG A 396 1.035 -5.414 39.758 1.00 19.84 C ATOM 223 O ARG A 396 1.282 -6.515 39.273 1.00 21.65 O ATOM 224 CB ARG A 396 0.026 -6.652 41.696 1.00 24.59 C ATOM 225 CG ARG A 396 -0.435 -6.617 43.148 1.00 29.86 C ATOM 226 CD ARG A 396 -1.324 -7.803 43.497 1.00 31.03 C ATOM 227 NE ARG A 396 -0.662 -9.088 43.287 1.00 35.07 N ATOM 228 CZ ARG A 396 -1.243 -10.268 43.493 1.00 35.45 C ATOM 229 NH1 ARG A 396 -2.500 -10.325 43.913 1.00 46.02 N ATOM 230 NH2 ARG A 396 -0.571 -11.390 43.277 1.00 31.11 N ATOM 231 HE ARG A 396 0.324 -9.081 42.956 1.00 0.00 H ATOM 232 HH12 ARG A 396 -2.953 -11.247 44.074 1.00 0.00 H ATOM 233 HH11 ARG A 396 -3.032 -9.448 44.082 1.00 0.00 H ATOM 234 HH22 ARG A 396 -1.029 -12.310 43.439 1.00 0.00 H ATOM 235 HH21 ARG A 396 0.414 -11.351 42.945 1.00 0.00 H ATOM 236 H ARG A 396 -1.528 -4.665 40.490 1.00 0.00 H ATOM 237 N GLN A 397 1.274 -4.264 39.135 1.00 22.81 N ATOM 238 CA GLN A 397 1.731 -4.167 37.752 1.00 23.97 C ATOM 239 C GLN A 397 2.953 -5.028 37.442 1.00 21.58 C ATOM 240 O GLN A 397 3.059 -5.610 36.360 1.00 18.88 O ATOM 241 CB GLN A 397 2.033 -2.701 37.436 1.00 23.79 C ATOM 242 CG GLN A 397 2.345 -2.406 35.993 1.00 24.46 C ATOM 243 CD GLN A 397 2.354 -0.918 35.720 1.00 27.03 C ATOM 244 OE1 GLN A 397 1.653 -0.156 36.383 1.00 27.28 O ATOM 245 NE2 GLN A 397 3.153 -0.494 34.751 1.00 26.20 N ATOM 246 HE22 GLN A 397 3.728 -1.175 34.216 1.00 0.00 H ATOM 247 HE21 GLN A 397 3.204 0.520 34.526 1.00 0.00 H ATOM 248 H GLN A 397 1.127 -3.381 39.664 1.00 0.00 H ATOM 249 N GLU A 398 3.873 -5.104 38.396 1.00 21.69 N ATOM 250 CA GLU A 398 5.104 -5.864 38.222 1.00 21.15 C ATOM 251 C GLU A 398 4.844 -7.345 37.946 1.00 19.71 C ATOM 252 O GLU A 398 5.606 -7.992 37.227 1.00 20.99 O ATOM 253 CB GLU A 398 6.003 -5.713 39.454 1.00 21.74 C ATOM 254 CG GLU A 398 6.552 -4.303 39.677 1.00 25.63 C ATOM 255 CD GLU A 398 5.628 -3.407 40.489 1.00 25.55 C ATOM 256 OE1 GLU A 398 6.076 -2.309 40.882 1.00 31.04 O ATOM 257 OE2 GLU A 398 4.462 -3.785 40.737 1.00 24.04 O ATOM 258 H GLU A 398 3.710 -4.606 39.294 1.00 0.00 H ATOM 259 N GLU A 399 3.763 -7.875 38.509 1.00 18.54 N ATOM 260 CA GLU A 399 3.432 -9.283 38.320 1.00 17.08 C ATOM 261 C GLU A 399 2.885 -9.579 36.923 1.00 20.10 C ATOM 262 O GLU A 399 2.738 -10.740 36.544 1.00 19.97 O ATOM 263 CB GLU A 399 2.454 -9.760 39.400 1.00 21.27 C ATOM 264 CG GLU A 399 3.038 -9.702 40.810 1.00 25.63 C ATOM 265 CD GLU A 399 2.114 -10.285 41.863 1.00 28.54 C ATOM 266 OE1 GLU A 399 1.772 -11.482 41.765 1.00 27.23 O ATOM 267 OE2 GLU A 399 1.730 -9.545 42.794 1.00 34.20 O ATOM 268 H GLU A 399 3.144 -7.277 39.093 1.00 0.00 H ATOM 269 N ALA A 400 2.599 -8.528 36.158 1.00 17.84 N ATOM 270 CA ALA A 400 2.101 -8.683 34.792 1.00 19.58 C ATOM 271 C ALA A 400 3.233 -8.672 33.766 1.00 17.86 C ATOM 272 O ALA A 400 3.007 -8.900 32.575 1.00 17.37 O ATOM 273 CB ALA A 400 1.087 -7.601 34.470 1.00 18.79 C ATOM 274 H ALA A 400 2.733 -7.571 36.542 1.00 0.00 H ATOM 275 N GLU A 401 4.447 -8.397 34.229 1.00 17.85 N ATOM 276 CA GLU A 401 5.610 -8.379 33.350 1.00 17.43 C ATOM 277 C GLU A 401 5.918 -9.783 32.848 1.00 17.60 C ATOM 278 O GLU A 401 5.862 -10.751 33.609 1.00 20.89 O ATOM 279 CB GLU A 401 6.829 -7.818 34.086 1.00 20.08 C ATOM 280 CG GLU A 401 6.706 -6.354 34.475 1.00 20.27 C ATOM 281 CD GLU A 401 7.842 -5.897 35.370 1.00 26.57 C ATOM 282 OE1 GLU A 401 8.891 -6.573 35.389 1.00 33.02 O ATOM 283 OE2 GLU A 401 7.684 -4.868 36.060 1.00 27.03 O ATOM 284 H GLU A 401 4.571 -8.190 35.241 1.00 0.00 H ATOM 285 N ASP A 402 6.238 -9.890 31.564 1.00 18.53 N ATOM 286 CA ASP A 402 6.688 -11.152 30.989 1.00 21.81 C ATOM 287 C ASP A 402 7.785 -10.869 29.969 1.00 21.15 C ATOM 288 O ASP A 402 7.500 -10.536 28.817 1.00 19.63 O ATOM 289 CB ASP A 402 5.527 -11.905 30.337 1.00 17.14 C ATOM 290 CG ASP A 402 5.890 -13.336 29.974 1.00 26.45 C ATOM 291 OD1 ASP A 402 7.096 -13.650 29.906 1.00 26.43 O ATOM 292 OD2 ASP A 402 4.969 -14.147 29.755 1.00 27.51 O ATOM 293 H ASP A 402 6.166 -9.052 30.952 1.00 0.00 H ATOM 294 N PRO A 403 9.051 -11.005 30.393 1.00 21.95 N ATOM 295 CA PRO A 403 10.188 -10.697 29.517 1.00 22.99 C ATOM 296 C PRO A 403 10.300 -11.639 28.321 1.00 26.98 C ATOM 297 O PRO A 403 10.991 -11.308 27.358 1.00 28.13 O ATOM 298 CB PRO A 403 11.400 -10.853 30.444 1.00 28.80 C ATOM 299 CG PRO A 403 10.929 -11.747 31.543 1.00 28.62 C ATOM 300 CD PRO A 403 9.483 -11.412 31.741 1.00 25.40 C ATOM 301 N ALA A 404 9.631 -12.786 28.374 1.00 21.81 N ATOM 302 CA ALA A 404 9.648 -13.719 27.252 1.00 20.98 C ATOM 303 C ALA A 404 8.807 -13.204 26.084 1.00 22.91 C ATOM 304 O ALA A 404 8.889 -13.724 24.970 1.00 28.38 O ATOM 305 CB ALA A 404 9.166 -15.095 27.692 1.00 25.11 C ATOM 306 H ALA A 404 9.087 -13.022 29.228 1.00 0.00 H ATOM 307 N CYS A 405 8.000 -12.180 26.345 1.00 22.01 N ATOM 308 CA CYS A 405 7.101 -11.630 25.334 1.00 22.09 C ATOM 309 C CYS A 405 7.673 -10.406 24.629 1.00 23.02 C ATOM 310 O CYS A 405 6.982 -9.769 23.832 1.00 22.68 O ATOM 311 CB CYS A 405 5.748 -11.272 25.957 1.00 19.76 C ATOM 312 SG CYS A 405 4.773 -12.699 26.472 1.00 28.79 S ATOM 313 H CYS A 405 8.009 -11.759 27.296 1.00 0.00 H ATOM 314 N ILE A 406 8.924 -10.074 24.931 1.00 20.34 N ATOM 315 CA ILE A 406 9.591 -8.942 24.294 1.00 19.90 C ATOM 316 C ILE A 406 9.503 -9.086 22.772 1.00 20.20 C ATOM 317 O ILE A 406 9.665 -10.182 22.238 1.00 21.01 O ATOM 318 CB ILE A 406 11.065 -8.817 24.764 1.00 22.70 C ATOM 319 CG1 ILE A 406 11.670 -7.483 24.320 1.00 24.63 C ATOM 320 CG2 ILE A 406 11.900 -9.999 24.293 1.00 23.65 C ATOM 321 CD1 ILE A 406 11.140 -6.299 25.106 1.00 35.88 C ATOM 322 H ILE A 406 9.441 -10.634 25.639 1.00 0.00 H ATOM 323 N PRO A 407 9.180 -7.991 22.069 1.00 18.45 N ATOM 324 CA PRO A 407 9.077 -8.067 20.609 1.00 21.50 C ATOM 325 C PRO A 407 10.411 -8.364 19.930 1.00 18.22 C ATOM 326 O PRO A 407 11.478 -8.061 20.472 1.00 20.61 O ATOM 327 CB PRO A 407 8.582 -6.666 20.219 1.00 21.03 C ATOM 328 CG PRO A 407 8.870 -5.799 21.406 1.00 26.26 C ATOM 329 CD PRO A 407 8.721 -6.692 22.586 1.00 22.75 C ATOM 330 N ILE A 408 10.335 -8.973 18.753 1.00 20.52 N ATOM 331 CA ILE A 408 11.508 -9.202 17.925 1.00 22.71 C ATOM 332 C ILE A 408 11.840 -7.922 17.162 1.00 20.60 C ATOM 333 O ILE A 408 13.009 -7.577 16.985 1.00 23.07 O ATOM 334 CB ILE A 408 11.260 -10.339 16.918 1.00 26.76 C ATOM 335 CG1 ILE A 408 10.760 -11.595 17.638 1.00 30.89 C ATOM 336 CG2 ILE A 408 12.523 -10.634 16.121 1.00 29.27 C ATOM 337 CD1 ILE A 408 10.372 -12.720 16.706 1.00 49.03 C ATOM 338 H ILE A 408 9.407 -9.297 18.412 1.00 0.00 H ATOM 339 N PHE A 409 10.798 -7.215 16.733 1.00 19.13 N ATOM 340 CA PHE A 409 10.957 -6.010 15.926 1.00 19.51 C ATOM 341 C PHE A 409 10.129 -4.842 16.449 1.00 17.18 C ATOM 342 O PHE A 409 9.017 -5.025 16.942 1.00 20.97 O ATOM 343 CB PHE A 409 10.546 -6.276 14.475 1.00 20.70 C ATOM 344 CG PHE A 409 11.422 -7.262 13.763 1.00 22.56 C ATOM 345 CD1 PHE A 409 10.974 -8.548 13.506 1.00 23.17 C ATOM 346 CD2 PHE A 409 12.691 -6.901 13.344 1.00 23.20 C ATOM 347 CE1 PHE A 409 11.779 -9.454 12.843 1.00 22.97 C ATOM 348 CE2 PHE A 409 13.502 -7.806 12.685 1.00 27.83 C ATOM 349 CZ PHE A 409 13.044 -9.084 12.436 1.00 24.68 C ATOM 350 H PHE A 409 9.839 -7.532 16.981 1.00 0.00 H ATOM 351 N TRP A 410 10.682 -3.642 16.316 1.00 16.87 N ATOM 352 CA TRP A 410 9.927 -2.409 16.494 1.00 15.57 C ATOM 353 C TRP A 410 10.611 -1.318 15.683 1.00 16.76 C ATOM 354 O TRP A 410 11.720 -1.511 15.186 1.00 16.11 O ATOM 355 CB TRP A 410 9.831 -2.011 17.970 1.00 17.43 C ATOM 356 CG TRP A 410 11.155 -1.764 18.619 1.00 17.07 C ATOM 357 CD1 TRP A 410 11.837 -0.580 18.677 1.00 16.53 C ATOM 358 CD2 TRP A 410 11.959 -2.726 19.307 1.00 17.05 C ATOM 359 NE1 TRP A 410 13.018 -0.751 19.362 1.00 16.65 N ATOM 360 CE2 TRP A 410 13.116 -2.060 19.756 1.00 16.48 C ATOM 361 CE3 TRP A 410 11.812 -4.090 19.585 1.00 18.11 C ATOM 362 CZ2 TRP A 410 14.121 -2.712 20.465 1.00 17.60 C ATOM 363 CZ3 TRP A 410 12.809 -4.732 20.286 1.00 17.54 C ATOM 364 CH2 TRP A 410 13.949 -4.046 20.719 1.00 17.90 C ATOM 365 HE1 TRP A 410 13.721 -0.008 19.550 1.00 0.00 H ATOM 366 H TRP A 410 11.692 -3.580 16.076 1.00 0.00 H ATOM 367 N VAL A 411 9.947 -0.179 15.544 1.00 15.50 N ATOM 368 CA VAL A 411 10.512 0.939 14.803 1.00 14.64 C ATOM 369 C VAL A 411 11.415 1.777 15.705 1.00 18.07 C ATOM 370 O VAL A 411 10.960 2.353 16.694 1.00 17.52 O ATOM 371 CB VAL A 411 9.402 1.816 14.209 1.00 14.71 C ATOM 372 CG1 VAL A 411 9.994 3.051 13.554 1.00 16.01 C ATOM 373 CG2 VAL A 411 8.584 1.019 13.205 1.00 18.16 C ATOM 374 H VAL A 411 9.004 -0.083 15.973 1.00 0.00 H ATOM 375 N SER A 412 12.700 1.835 15.367 1.00 16.43 N ATOM 376 CA SER A 412 13.666 2.565 16.184 1.00 16.75 C ATOM 377 C SER A 412 13.807 4.033 15.784 1.00 15.73 C ATOM 378 O SER A 412 14.133 4.872 16.623 1.00 16.69 O ATOM 379 CB SER A 412 15.031 1.870 16.148 1.00 18.96 C ATOM 380 OG SER A 412 15.381 1.498 14.826 1.00 18.13 O ATOM 381 HG SER A 412 16.265 1.052 14.833 1.00 0.00 H ATOM 382 H SER A 412 13.023 1.352 14.505 1.00 0.00 H ATOM 383 N LYS A 413 13.578 4.332 14.506 1.00 16.31 N ATOM 384 CA LYS A 413 13.644 5.699 13.988 1.00 16.91 C ATOM 385 C LYS A 413 12.671 5.830 12.824 1.00 15.30 C ATOM 386 O LYS A 413 12.395 4.849 12.135 1.00 16.28 O ATOM 387 CB LYS A 413 15.053 6.028 13.483 1.00 18.84 C ATOM 388 CG LYS A 413 16.164 5.883 14.508 1.00 20.03 C ATOM 389 CD LYS A 413 17.519 6.190 13.898 1.00 23.17 C ATOM 390 CE LYS A 413 18.633 5.878 14.883 1.00 20.23 C ATOM 391 NZ LYS A 413 19.949 6.393 14.405 1.00 22.68 N ATOM 392 HZ1 LYS A 413 20.183 5.950 13.493 1.00 0.00 H ATOM 393 HZ2 LYS A 413 19.894 7.425 14.287 1.00 0.00 H ATOM 394 HZ3 LYS A 413 20.685 6.162 15.103 1.00 0.00 H ATOM 395 H LYS A 413 13.342 3.561 13.849 1.00 0.00 H ATOM 396 N TRP A 414 12.161 7.034 12.589 1.00 16.56 N ATOM 397 CA TRP A 414 11.333 7.274 11.410 1.00 17.21 C ATOM 398 C TRP A 414 11.469 8.702 10.903 1.00 16.54 C ATOM 399 O TRP A 414 11.816 9.615 11.662 1.00 16.56 O ATOM 400 CB TRP A 414 9.859 6.931 11.666 1.00 17.39 C ATOM 401 CG TRP A 414 9.252 7.697 12.796 1.00 15.33 C ATOM 402 CD1 TRP A 414 9.151 7.294 14.093 1.00 14.23 C ATOM 403 CD2 TRP A 414 8.664 9.005 12.734 1.00 16.76 C ATOM 404 NE1 TRP A 414 8.541 8.268 14.846 1.00 15.17 N ATOM 405 CE2 TRP A 414 8.236 9.330 14.035 1.00 16.18 C ATOM 406 CE3 TRP A 414 8.462 9.934 11.707 1.00 17.76 C ATOM 407 CZ2 TRP A 414 7.611 10.539 14.337 1.00 18.66 C ATOM 408 CZ3 TRP A 414 7.844 11.135 12.009 1.00 18.69 C ATOM 409 CH2 TRP A 414 7.427 11.427 13.310 1.00 17.86 C ATOM 410 HE1 TRP A 414 8.343 8.209 15.865 1.00 0.00 H ATOM 411 H TRP A 414 12.353 7.813 13.251 1.00 0.00 H ATOM 412 N VAL A 415 11.204 8.867 9.610 1.00 16.47 N ATOM 413 CA VAL A 415 11.257 10.157 8.935 1.00 16.69 C ATOM 414 C VAL A 415 10.035 10.297 8.036 1.00 17.28 C ATOM 415 O VAL A 415 9.850 9.515 7.099 1.00 18.28 O ATOM 416 CB VAL A 415 12.519 10.288 8.067 1.00 17.21 C ATOM 417 CG1 VAL A 415 12.487 11.600 7.295 1.00 20.89 C ATOM 418 CG2 VAL A 415 13.777 10.197 8.921 1.00 19.53 C ATOM 419 H VAL A 415 10.945 8.030 9.050 1.00 0.00 H ATOM 420 N ASP A 416 9.197 11.285 8.334 1.00 17.26 N ATOM 421 CA ASP A 416 8.010 11.561 7.531 1.00 17.37 C ATOM 422 C ASP A 416 8.338 12.576 6.438 1.00 19.64 C ATOM 423 O ASP A 416 8.348 13.782 6.682 1.00 20.33 O ATOM 424 CB ASP A 416 6.885 12.094 8.430 1.00 18.32 C ATOM 425 CG ASP A 416 5.599 12.400 7.668 1.00 20.96 C ATOM 426 OD1 ASP A 416 5.555 12.243 6.431 1.00 21.68 O ATOM 427 OD2 ASP A 416 4.620 12.818 8.322 1.00 22.56 O ATOM 428 H ASP A 416 9.393 11.879 9.165 1.00 0.00 H ATOM 429 N TYR A 417 8.601 12.077 5.236 1.00 17.10 N ATOM 430 CA TYR A 417 8.774 12.935 4.071 1.00 18.44 C ATOM 431 C TYR A 417 7.641 12.634 3.097 1.00 20.90 C ATOM 432 O TYR A 417 7.840 12.609 1.883 1.00 21.32 O ATOM 433 CB TYR A 417 10.129 12.672 3.409 1.00 19.89 C ATOM 434 CG TYR A 417 10.710 13.853 2.658 1.00 25.57 C ATOM 435 CD1 TYR A 417 9.941 14.976 2.377 1.00 25.69 C ATOM 436 CD2 TYR A 417 12.031 13.842 2.233 1.00 20.59 C ATOM 437 CE1 TYR A 417 10.475 16.057 1.691 1.00 24.54 C ATOM 438 CE2 TYR A 417 12.573 14.915 1.547 1.00 20.90 C ATOM 439 CZ TYR A 417 11.791 16.019 1.282 1.00 23.80 C ATOM 440 OH TYR A 417 12.327 17.087 0.598 1.00 23.56 O ATOM 441 HH TYR A 417 11.638 17.790 0.493 1.00 0.00 H ATOM 442 H TYR A 417 8.686 11.047 5.123 1.00 0.00 H ATOM 443 N SER A 418 6.447 12.407 3.638 1.00 20.99 N ATOM 444 CA SER A 418 5.300 12.002 2.828 1.00 24.85 C ATOM 445 C SER A 418 4.771 13.136 1.956 1.00 24.76 C ATOM 446 O SER A 418 3.945 12.915 1.073 1.00 25.91 O ATOM 447 CB SER A 418 4.178 11.437 3.710 1.00 25.31 C ATOM 448 OG SER A 418 3.704 12.403 4.633 1.00 27.42 O ATOM 449 HG SER A 418 4.448 12.691 5.219 1.00 0.00 H ATOM 450 H SER A 418 6.327 12.521 4.665 1.00 0.00 H ATOM 451 N ASP A 419 5.254 14.348 2.210 1.00 26.07 N ATOM 452 CA ASP A 419 4.905 15.498 1.387 1.00 29.46 C ATOM 453 C ASP A 419 5.371 15.294 -0.053 1.00 35.25 C ATOM 454 O ASP A 419 4.794 15.852 -0.987 1.00 34.51 O ATOM 455 CB ASP A 419 5.522 16.772 1.971 1.00 27.73 C ATOM 456 CG ASP A 419 5.219 18.001 1.140 1.00 51.28 C ATOM 457 OD1 ASP A 419 4.109 18.557 1.280 1.00 56.81 O ATOM 458 OD2 ASP A 419 6.093 18.416 0.351 1.00 61.56 O ATOM 459 H ASP A 419 5.897 14.478 3.017 1.00 0.00 H ATOM 460 N LYS A 420 6.410 14.481 -0.230 1.00 25.45 N ATOM 461 CA LYS A 420 6.988 14.256 -1.552 1.00 26.89 C ATOM 462 C LYS A 420 7.237 12.788 -1.891 1.00 25.67 C ATOM 463 O LYS A 420 6.926 12.340 -2.995 1.00 27.38 O ATOM 464 CB LYS A 420 8.302 15.026 -1.697 1.00 31.69 C ATOM 465 CG LYS A 420 8.148 16.531 -1.708 1.00 37.45 C ATOM 466 CD LYS A 420 9.481 17.208 -1.951 1.00 39.77 C ATOM 467 CE LYS A 420 9.328 18.713 -1.970 1.00 38.33 C ATOM 468 NZ LYS A 420 8.391 19.170 -3.032 1.00 43.25 N ATOM 469 HZ1 LYS A 420 8.749 18.870 -3.961 1.00 0.00 H ATOM 470 HZ2 LYS A 420 7.453 18.752 -2.869 1.00 0.00 H ATOM 471 HZ3 LYS A 420 8.319 20.207 -3.006 1.00 0.00 H ATOM 472 H LYS A 420 6.820 13.994 0.593 1.00 0.00 H ATOM 473 N TYR A 421 7.806 12.043 -0.946 1.00 23.03 N ATOM 474 CA TYR A 421 8.321 10.712 -1.259 1.00 22.76 C ATOM 475 C TYR A 421 7.671 9.587 -0.472 1.00 20.52 C ATOM 476 O TYR A 421 7.246 8.590 -1.051 1.00 21.56 O ATOM 477 CB TYR A 421 9.839 10.681 -1.082 1.00 18.54 C ATOM 478 CG TYR A 421 10.540 11.720 -1.923 1.00 19.49 C ATOM 479 CD1 TYR A 421 11.277 12.739 -1.335 1.00 20.05 C ATOM 480 CD2 TYR A 421 10.439 11.695 -3.305 1.00 19.91 C ATOM 481 CE1 TYR A 421 11.909 13.696 -2.106 1.00 20.16 C ATOM 482 CE2 TYR A 421 11.064 12.644 -4.083 1.00 20.79 C ATOM 483 CZ TYR A 421 11.800 13.636 -3.479 1.00 19.85 C ATOM 484 OH TYR A 421 12.422 14.586 -4.261 1.00 23.01 O ATOM 485 HH TYR A 421 12.907 15.224 -3.680 1.00 0.00 H ATOM 486 H TYR A 421 7.885 12.411 0.023 1.00 0.00 H ATOM 487 N GLY A 422 7.612 9.742 0.847 1.00 19.71 N ATOM 488 CA GLY A 422 6.995 8.737 1.691 1.00 19.75 C ATOM 489 C GLY A 422 7.521 8.715 3.112 1.00 19.77 C ATOM 490 O GLY A 422 8.126 9.677 3.587 1.00 19.30 O ATOM 491 H GLY A 422 8.015 10.597 1.280 1.00 0.00 H ATOM 492 N LEU A 423 7.287 7.595 3.787 1.00 18.70 N ATOM 493 CA LEU A 423 7.663 7.420 5.183 1.00 18.88 C ATOM 494 C LEU A 423 8.838 6.450 5.258 1.00 17.19 C ATOM 495 O LEU A 423 8.715 5.282 4.892 1.00 18.00 O ATOM 496 CB LEU A 423 6.461 6.876 5.967 1.00 21.03 C ATOM 497 CG LEU A 423 6.389 6.828 7.503 1.00 21.66 C ATOM 498 CD1 LEU A 423 7.397 5.862 8.126 1.00 19.33 C ATOM 499 CD2 LEU A 423 6.516 8.216 8.121 1.00 20.18 C ATOM 500 H LEU A 423 6.815 6.809 3.297 1.00 0.00 H ATOM 501 N GLY A 424 9.981 6.943 5.720 1.00 15.34 N ATOM 502 CA GLY A 424 11.148 6.105 5.913 1.00 18.17 C ATOM 503 C GLY A 424 11.270 5.707 7.369 1.00 17.51 C ATOM 504 O GLY A 424 10.932 6.479 8.256 1.00 16.71 O ATOM 505 H GLY A 424 10.041 7.956 5.949 1.00 0.00 H ATOM 506 N TYR A 425 11.748 4.498 7.625 1.00 17.23 N ATOM 507 CA TYR A 425 11.867 4.038 9.000 1.00 17.74 C ATOM 508 C TYR A 425 13.033 3.083 9.163 1.00 15.34 C ATOM 509 O TYR A 425 13.485 2.462 8.204 1.00 17.51 O ATOM 510 CB TYR A 425 10.571 3.355 9.453 1.00 19.29 C ATOM 511 CG TYR A 425 10.212 2.143 8.626 1.00 18.68 C ATOM 512 CD1 TYR A 425 10.646 0.872 8.991 1.00 17.18 C ATOM 513 CD2 TYR A 425 9.452 2.268 7.473 1.00 17.95 C ATOM 514 CE1 TYR A 425 10.324 -0.240 8.234 1.00 17.92 C ATOM 515 CE2 TYR A 425 9.125 1.162 6.709 1.00 17.47 C ATOM 516 CZ TYR A 425 9.565 -0.086 7.092 1.00 17.01 C ATOM 517 OH TYR A 425 9.244 -1.189 6.331 1.00 19.73 O ATOM 518 HH TYR A 425 9.636 -1.999 6.744 1.00 0.00 H ATOM 519 H TYR A 425 12.038 3.878 6.842 1.00 0.00 H ATOM 520 N GLN A 426 13.514 2.969 10.392 1.00 16.46 N ATOM 521 CA GLN A 426 14.542 2.004 10.723 1.00 17.48 C ATOM 522 C GLN A 426 13.939 1.041 11.728 1.00 17.59 C ATOM 523 O GLN A 426 13.233 1.459 12.646 1.00 18.48 O ATOM 524 CB GLN A 426 15.746 2.721 11.331 1.00 19.65 C ATOM 525 CG GLN A 426 16.909 1.820 11.705 1.00 21.35 C ATOM 526 CD GLN A 426 17.917 2.531 12.586 1.00 23.92 C ATOM 527 OE1 GLN A 426 17.785 2.546 13.813 1.00 25.03 O ATOM 528 NE2 GLN A 426 18.925 3.135 11.966 1.00 28.16 N ATOM 529 HE22 GLN A 426 18.996 3.096 10.929 1.00 0.00 H ATOM 530 HE21 GLN A 426 19.643 3.647 12.518 1.00 0.00 H ATOM 531 H GLN A 426 13.143 3.590 11.140 1.00 0.00 H ATOM 532 N LEU A 427 14.184 -0.249 11.542 1.00 17.28 N ATOM 533 CA LEU A 427 13.792 -1.228 12.542 1.00 18.33 C ATOM 534 C LEU A 427 14.953 -1.444 13.497 1.00 16.06 C ATOM 535 O LEU A 427 16.097 -1.108 13.190 1.00 19.20 O ATOM 536 CB LEU A 427 13.374 -2.553 11.900 1.00 18.54 C ATOM 537 CG LEU A 427 12.120 -2.542 11.023 1.00 16.93 C ATOM 538 CD1 LEU A 427 11.798 -3.954 10.552 1.00 19.77 C ATOM 539 CD2 LEU A 427 10.927 -1.939 11.750 1.00 18.92 C ATOM 540 H LEU A 427 14.661 -0.563 10.673 1.00 0.00 H ATOM 541 N CYS A 428 14.652 -2.008 14.659 1.00 17.78 N ATOM 542 CA CYS A 428 15.636 -2.145 15.726 1.00 19.99 C ATOM 543 C CYS A 428 16.841 -3.003 15.344 1.00 20.50 C ATOM 544 O CYS A 428 17.875 -2.948 16.006 1.00 22.45 O ATOM 545 CB CYS A 428 14.972 -2.711 16.980 1.00 20.61 C ATOM 546 SG CYS A 428 14.291 -4.351 16.742 1.00 19.18 S ATOM 547 H CYS A 428 13.687 -2.363 14.813 1.00 0.00 H ATOM 548 N ASP A 429 16.707 -3.786 14.277 1.00 18.97 N ATOM 549 CA ASP A 429 17.803 -4.625 13.802 1.00 25.60 C ATOM 550 C ASP A 429 18.693 -3.891 12.798 1.00 23.97 C ATOM 551 O ASP A 429 19.523 -4.512 12.135 1.00 25.06 O ATOM 552 CB ASP A 429 17.259 -5.914 13.176 1.00 23.22 C ATOM 553 CG ASP A 429 16.632 -5.684 11.809 1.00 22.98 C ATOM 554 OD1 ASP A 429 16.701 -6.597 10.958 1.00 22.41 O ATOM 555 OD2 ASP A 429 16.070 -4.591 11.583 1.00 21.82 O ATOM 556 H ASP A 429 15.800 -3.801 13.769 1.00 0.00 H ATOM 557 N ASN A 430 18.502 -2.577 12.691 1.00 22.03 N ATOM 558 CA ASN A 430 19.253 -1.713 11.769 1.00 22.94 C ATOM 559 C ASN A 430 18.870 -1.858 10.296 1.00 21.70 C ATOM 560 O ASN A 430 19.498 -1.252 9.428 1.00 26.74 O ATOM 561 CB ASN A 430 20.773 -1.849 11.956 1.00 25.59 C ATOM 562 CG ASN A 430 21.287 -1.061 13.141 1.00 25.31 C ATOM 563 OD1 ASN A 430 20.970 0.117 13.299 1.00 35.91 O ATOM 564 ND2 ASN A 430 22.085 -1.707 13.985 1.00 39.41 N ATOM 565 HD22 ASN A 430 22.327 -2.704 13.812 1.00 0.00 H ATOM 566 HD21 ASN A 430 22.467 -1.216 14.818 1.00 0.00 H ATOM 567 H ASN A 430 17.779 -2.137 13.295 1.00 0.00 H ATOM 568 N SER A 431 17.836 -2.644 10.013 1.00 22.56 N ATOM 569 CA SER A 431 17.280 -2.675 8.667 1.00 21.24 C ATOM 570 C SER A 431 16.477 -1.396 8.474 1.00 22.68 C ATOM 571 O SER A 431 16.096 -0.746 9.443 1.00 20.49 O ATOM 572 CB SER A 431 16.402 -3.909 8.445 1.00 22.25 C ATOM 573 OG SER A 431 15.200 -3.846 9.199 1.00 22.10 O ATOM 574 HG SER A 431 15.419 -3.790 10.163 1.00 0.00 H ATOM 575 H SER A 431 17.421 -3.241 10.757 1.00 0.00 H ATOM 576 N VAL A 432 16.236 -1.022 7.225 1.00 19.95 N ATOM 577 CA VAL A 432 15.497 0.198 6.926 1.00 18.33 C ATOM 578 C VAL A 432 14.398 -0.114 5.914 1.00 20.14 C ATOM 579 O VAL A 432 14.482 -1.096 5.177 1.00 21.75 O ATOM 580 CB VAL A 432 16.405 1.336 6.403 1.00 23.27 C ATOM 581 CG1 VAL A 432 17.395 1.766 7.474 1.00 22.72 C ATOM 582 CG2 VAL A 432 17.130 0.915 5.145 1.00 28.00 C ATOM 583 H VAL A 432 16.582 -1.612 6.442 1.00 0.00 H ATOM 584 N GLY A 433 13.342 0.687 5.916 1.00 17.96 N ATOM 585 CA GLY A 433 12.275 0.526 4.953 1.00 18.54 C ATOM 586 C GLY A 433 11.712 1.867 4.539 1.00 15.95 C ATOM 587 O GLY A 433 11.914 2.878 5.211 1.00 18.02 O ATOM 588 H GLY A 433 13.279 1.446 6.624 1.00 0.00 H ATOM 589 N VAL A 434 11.028 1.880 3.403 1.00 18.57 N ATOM 590 CA VAL A 434 10.282 3.049 2.974 1.00 15.97 C ATOM 591 C VAL A 434 8.929 2.591 2.460 1.00 19.48 C ATOM 592 O VAL A 434 8.843 1.662 1.656 1.00 22.00 O ATOM 593 CB VAL A 434 10.998 3.839 1.856 1.00 19.60 C ATOM 594 CG1 VAL A 434 10.223 5.109 1.532 1.00 21.66 C ATOM 595 CG2 VAL A 434 12.425 4.182 2.259 1.00 20.08 C ATOM 596 H VAL A 434 11.026 1.030 2.804 1.00 0.00 H ATOM 597 N LEU A 435 7.873 3.223 2.955 1.00 17.83 N ATOM 598 CA LEU A 435 6.559 3.090 2.352 1.00 20.82 C ATOM 599 C LEU A 435 6.359 4.334 1.501 1.00 20.51 C ATOM 600 O LEU A 435 6.124 5.423 2.020 1.00 19.24 O ATOM 601 CB LEU A 435 5.473 2.961 3.425 1.00 21.16 C ATOM 602 CG LEU A 435 4.009 2.970 2.973 1.00 23.90 C ATOM 603 CD1 LEU A 435 3.758 1.955 1.866 1.00 26.87 C ATOM 604 CD2 LEU A 435 3.096 2.702 4.164 1.00 23.13 C ATOM 605 H LEU A 435 7.989 3.827 3.794 1.00 0.00 H ATOM 606 N PHE A 436 6.496 4.172 0.191 1.00 20.35 N ATOM 607 CA PHE A 436 6.411 5.300 -0.732 1.00 19.55 C ATOM 608 C PHE A 436 4.976 5.782 -0.908 1.00 24.92 C ATOM 609 O PHE A 436 4.031 5.068 -0.580 1.00 25.60 O ATOM 610 CB PHE A 436 7.017 4.927 -2.088 1.00 22.32 C ATOM 611 CG PHE A 436 8.505 4.725 -2.049 1.00 17.84 C ATOM 612 CD1 PHE A 436 9.052 3.454 -2.094 1.00 19.21 C ATOM 613 CD2 PHE A 436 9.357 5.813 -1.964 1.00 19.25 C ATOM 614 CE1 PHE A 436 10.425 3.270 -2.055 1.00 18.55 C ATOM 615 CE2 PHE A 436 10.728 5.639 -1.925 1.00 18.89 C ATOM 616 CZ PHE A 436 11.263 4.367 -1.970 1.00 18.84 C ATOM 617 H PHE A 436 6.668 3.219 -0.187 1.00 0.00 H ATOM 618 N ASN A 437 4.824 6.996 -1.431 1.00 21.98 N ATOM 619 CA ASN A 437 3.504 7.585 -1.645 1.00 22.79 C ATOM 620 C ASN A 437 2.613 6.805 -2.619 1.00 31.72 C ATOM 621 O ASN A 437 1.388 6.939 -2.586 1.00 30.27 O ATOM 622 CB ASN A 437 3.632 9.045 -2.093 1.00 25.88 C ATOM 623 CG ASN A 437 3.994 9.979 -0.951 1.00 27.86 C ATOM 624 OD1 ASN A 437 4.136 9.554 0.196 1.00 27.78 O ATOM 625 ND2 ASN A 437 4.150 11.259 -1.262 1.00 25.38 N ATOM 626 HD22 ASN A 437 4.020 11.575 -2.244 1.00 0.00 H ATOM 627 HD21 ASN A 437 4.402 11.947 -0.524 1.00 0.00 H ATOM 628 H ASN A 437 5.669 7.541 -1.695 1.00 0.00 H ATOM 629 N ASP A 438 3.223 5.991 -3.477 1.00 30.03 N ATOM 630 CA ASP A 438 2.463 5.193 -4.441 1.00 25.55 C ATOM 631 C ASP A 438 2.094 3.815 -3.895 1.00 27.26 C ATOM 632 O ASP A 438 1.714 2.916 -4.651 1.00 28.22 O ATOM 633 CB ASP A 438 3.211 5.064 -5.776 1.00 25.96 C ATOM 634 CG ASP A 438 4.554 4.360 -5.640 1.00 28.41 C ATOM 635 OD1 ASP A 438 4.887 3.881 -4.535 1.00 25.80 O ATOM 636 OD2 ASP A 438 5.275 4.277 -6.657 1.00 31.28 O ATOM 637 H ASP A 438 4.260 5.920 -3.463 1.00 0.00 H ATOM 638 N SER A 439 2.221 3.665 -2.578 1.00 29.61 N ATOM 639 CA SER A 439 1.891 2.426 -1.873 1.00 26.84 C ATOM 640 C SER A 439 2.793 1.247 -2.241 1.00 28.13 C ATOM 641 O SER A 439 2.429 0.090 -2.028 1.00 32.24 O ATOM 642 CB SER A 439 0.411 2.060 -2.050 1.00 32.51 C ATOM 643 OG SER A 439 -0.425 3.062 -1.497 1.00 44.93 O ATOM 644 HG SER A 439 -0.252 3.923 -1.953 1.00 0.00 H ATOM 645 H SER A 439 2.573 4.470 -2.022 1.00 0.00 H ATOM 646 N THR A 440 3.969 1.541 -2.790 1.00 23.49 N ATOM 647 CA THR A 440 4.992 0.517 -2.964 1.00 23.06 C ATOM 648 C THR A 440 5.977 0.600 -1.804 1.00 21.45 C ATOM 649 O THR A 440 6.040 1.616 -1.107 1.00 20.91 O ATOM 650 CB THR A 440 5.748 0.644 -4.307 1.00 24.08 C ATOM 651 OG1 THR A 440 6.512 1.856 -4.327 1.00 21.58 O ATOM 652 CG2 THR A 440 4.776 0.632 -5.479 1.00 23.31 C ATOM 653 HG1 THR A 440 5.904 2.630 -4.221 1.00 0.00 H ATOM 654 H THR A 440 4.161 2.515 -3.099 1.00 0.00 H ATOM 655 N ARG A 441 6.737 -0.469 -1.596 1.00 21.85 N ATOM 656 CA ARG A 441 7.627 -0.560 -0.446 1.00 21.76 C ATOM 657 C ARG A 441 8.999 -1.082 -0.832 1.00 19.42 C ATOM 658 O ARG A 441 9.118 -1.984 -1.656 1.00 21.49 O ATOM 659 CB ARG A 441 7.021 -1.483 0.613 1.00 23.04 C ATOM 660 CG ARG A 441 5.690 -1.006 1.152 1.00 25.92 C ATOM 661 CD ARG A 441 5.031 -2.064 2.006 1.00 22.58 C ATOM 662 NE ARG A 441 3.793 -1.579 2.601 1.00 22.43 N ATOM 663 CZ ARG A 441 2.586 -1.764 2.078 1.00 24.77 C ATOM 664 NH1 ARG A 441 2.448 -2.434 0.941 1.00 30.15 N ATOM 665 NH2 ARG A 441 1.515 -1.283 2.694 1.00 31.98 N ATOM 666 HE ARG A 441 3.858 -1.052 3.495 1.00 0.00 H ATOM 667 HH12 ARG A 441 1.502 -2.578 0.534 1.00 0.00 H ATOM 668 HH11 ARG A 441 3.286 -2.816 0.457 1.00 0.00 H ATOM 669 HH22 ARG A 441 0.570 -1.428 2.284 1.00 0.00 H ATOM 670 HH21 ARG A 441 1.620 -0.761 3.587 1.00 0.00 H ATOM 671 H ARG A 441 6.696 -1.260 -2.270 1.00 0.00 H ATOM 672 N LEU A 442 10.031 -0.520 -0.216 1.00 21.34 N ATOM 673 CA LEU A 442 11.389 -1.003 -0.396 1.00 19.36 C ATOM 674 C LEU A 442 12.001 -1.252 0.979 1.00 23.06 C ATOM 675 O LEU A 442 11.937 -0.394 1.859 1.00 23.10 O ATOM 676 CB LEU A 442 12.205 0.019 -1.190 1.00 23.08 C ATOM 677 CG LEU A 442 13.532 -0.371 -1.839 1.00 24.32 C ATOM 678 CD1 LEU A 442 13.367 -1.513 -2.843 1.00 20.77 C ATOM 679 CD2 LEU A 442 14.129 0.856 -2.516 1.00 21.16 C ATOM 680 H LEU A 442 9.863 0.290 0.414 1.00 0.00 H ATOM 681 N ILE A 443 12.555 -2.444 1.167 1.00 19.12 N ATOM 682 CA ILE A 443 13.148 -2.835 2.435 1.00 22.09 C ATOM 683 C ILE A 443 14.609 -3.214 2.232 1.00 24.61 C ATOM 684 O ILE A 443 14.928 -4.078 1.415 1.00 22.81 O ATOM 685 CB ILE A 443 12.395 -4.028 3.068 1.00 20.69 C ATOM 686 CG1 ILE A 443 11.058 -3.576 3.663 1.00 31.54 C ATOM 687 CG2 ILE A 443 13.234 -4.674 4.157 1.00 27.53 C ATOM 688 CD1 ILE A 443 9.926 -3.471 2.671 1.00 39.33 C ATOM 689 H ILE A 443 12.565 -3.122 0.379 1.00 0.00 H ATOM 690 N LEU A 444 15.496 -2.552 2.966 1.00 20.37 N ATOM 691 CA LEU A 444 16.912 -2.884 2.937 1.00 17.82 C ATOM 692 C LEU A 444 17.282 -3.650 4.202 1.00 21.35 C ATOM 693 O LEU A 444 17.167 -3.128 5.314 1.00 22.45 O ATOM 694 CB LEU A 444 17.762 -1.618 2.801 1.00 20.70 C ATOM 695 CG LEU A 444 19.279 -1.796 2.836 1.00 21.66 C ATOM 696 CD1 LEU A 444 19.763 -2.491 1.574 1.00 26.30 C ATOM 697 CD2 LEU A 444 19.974 -0.458 3.011 1.00 26.69 C ATOM 698 H LEU A 444 15.170 -1.776 3.577 1.00 0.00 H ATOM 699 N TYR A 445 17.712 -4.895 4.030 1.00 21.96 N ATOM 700 CA TYR A 445 18.111 -5.731 5.157 1.00 19.50 C ATOM 701 C TYR A 445 19.358 -5.168 5.829 1.00 19.15 C ATOM 702 O TYR A 445 20.051 -4.325 5.260 1.00 20.73 O ATOM 703 CB TYR A 445 18.361 -7.167 4.690 1.00 20.15 C ATOM 704 CG TYR A 445 17.120 -7.867 4.184 1.00 22.86 C ATOM 705 CD1 TYR A 445 16.657 -7.654 2.891 1.00 27.80 C ATOM 706 CD2 TYR A 445 16.415 -8.746 4.995 1.00 26.56 C ATOM 707 CE1 TYR A 445 15.526 -8.292 2.422 1.00 30.73 C ATOM 708 CE2 TYR A 445 15.279 -9.389 4.535 1.00 29.29 C ATOM 709 CZ TYR A 445 14.840 -9.159 3.247 1.00 39.67 C ATOM 710 OH TYR A 445 13.713 -9.795 2.781 1.00 47.49 O ATOM 711 HH TYR A 445 12.939 -9.548 3.346 1.00 0.00 H ATOM 712 H TYR A 445 17.766 -5.284 3.067 1.00 0.00 H ATOM 713 N ASN A 446 19.654 -5.639 7.036 1.00 21.51 N ATOM 714 CA ASN A 446 20.753 -5.051 7.795 1.00 21.67 C ATOM 715 C ASN A 446 22.153 -5.367 7.268 1.00 24.85 C ATOM 716 O ASN A 446 23.142 -4.857 7.793 1.00 27.44 O ATOM 717 CB ASN A 446 20.638 -5.346 9.299 1.00 23.05 C ATOM 718 CG ASN A 446 20.741 -6.827 9.626 1.00 33.67 C ATOM 719 OD1 ASN A 446 21.217 -7.628 8.823 1.00 30.57 O ATOM 720 ND2 ASN A 446 20.300 -7.195 10.824 1.00 31.19 N ATOM 721 HD22 ASN A 446 19.904 -6.485 11.473 1.00 0.00 H ATOM 722 HD21 ASN A 446 20.350 -8.193 11.113 1.00 0.00 H ATOM 723 H ASN A 446 19.104 -6.424 7.439 1.00 0.00 H ATOM 724 N ASP A 447 22.244 -6.192 6.227 1.00 24.67 N ATOM 725 CA ASP A 447 23.543 -6.418 5.596 1.00 24.11 C ATOM 726 C ASP A 447 23.964 -5.220 4.743 1.00 22.33 C ATOM 727 O ASP A 447 25.095 -5.147 4.266 1.00 27.33 O ATOM 728 CB ASP A 447 23.595 -7.740 4.809 1.00 20.82 C ATOM 729 CG ASP A 447 22.639 -7.782 3.621 1.00 23.83 C ATOM 730 OD1 ASP A 447 22.168 -6.724 3.153 1.00 21.10 O ATOM 731 OD2 ASP A 447 22.373 -8.903 3.134 1.00 22.72 O ATOM 732 H ASP A 447 21.396 -6.673 5.865 1.00 0.00 H ATOM 733 N GLY A 448 23.036 -4.287 4.556 1.00 20.71 N ATOM 734 CA GLY A 448 23.331 -3.030 3.896 1.00 25.17 C ATOM 735 C GLY A 448 23.290 -3.090 2.383 1.00 24.13 C ATOM 736 O GLY A 448 23.625 -2.115 1.712 1.00 25.49 O ATOM 737 H GLY A 448 22.068 -4.464 4.893 1.00 0.00 H ATOM 738 N ASP A 449 22.875 -4.228 1.836 1.00 20.76 N ATOM 739 CA ASP A 449 22.847 -4.384 0.385 1.00 23.70 C ATOM 740 C ASP A 449 21.622 -5.140 -0.131 1.00 19.07 C ATOM 741 O ASP A 449 21.085 -4.801 -1.182 1.00 23.77 O ATOM 742 CB ASP A 449 24.141 -5.030 -0.115 1.00 24.14 C ATOM 743 CG ASP A 449 25.317 -4.073 -0.076 1.00 30.30 C ATOM 744 OD1 ASP A 449 25.993 -3.995 0.970 1.00 35.95 O ATOM 745 OD2 ASP A 449 25.557 -3.386 -1.090 1.00 30.75 O ATOM 746 H ASP A 449 22.568 -5.013 2.446 1.00 0.00 H ATOM 747 N SER A 450 21.178 -6.154 0.604 1.00 18.80 N ATOM 748 CA SER A 450 20.040 -6.954 0.158 1.00 21.01 C ATOM 749 C SER A 450 18.732 -6.171 0.236 1.00 19.91 C ATOM 750 O SER A 450 18.435 -5.538 1.253 1.00 21.52 O ATOM 751 CB SER A 450 19.940 -8.250 0.962 1.00 18.69 C ATOM 752 OG SER A 450 21.114 -9.030 0.812 1.00 20.19 O ATOM 753 HG SER A 450 21.895 -8.514 1.135 1.00 0.00 H ATOM 754 H SER A 450 21.645 -6.380 1.505 1.00 0.00 H ATOM 755 N LEU A 451 17.955 -6.225 -0.841 1.00 22.47 N ATOM 756 CA LEU A 451 16.719 -5.458 -0.956 1.00 20.46 C ATOM 757 C LEU A 451 15.511 -6.330 -1.264 1.00 21.35 C ATOM 758 O LEU A 451 15.597 -7.284 -2.033 1.00 21.28 O ATOM 759 CB LEU A 451 16.847 -4.400 -2.059 1.00 22.17 C ATOM 760 CG LEU A 451 17.682 -3.146 -1.803 1.00 21.41 C ATOM 761 CD1 LEU A 451 17.964 -2.419 -3.104 1.00 24.96 C ATOM 762 CD2 LEU A 451 16.966 -2.221 -0.834 1.00 18.97 C ATOM 763 H LEU A 451 18.239 -6.837 -1.632 1.00 0.00 H ATOM 764 N GLN A 452 14.381 -5.984 -0.661 1.00 20.62 N ATOM 765 CA GLN A 452 13.092 -6.538 -1.047 1.00 21.96 C ATOM 766 C GLN A 452 12.198 -5.405 -1.533 1.00 19.71 C ATOM 767 O GLN A 452 12.071 -4.374 -0.866 1.00 21.35 O ATOM 768 CB GLN A 452 12.426 -7.248 0.132 1.00 24.24 C ATOM 769 CG GLN A 452 11.004 -7.714 -0.157 1.00 23.68 C ATOM 770 CD GLN A 452 10.357 -8.393 1.036 1.00 31.60 C ATOM 771 OE1 GLN A 452 10.862 -8.320 2.156 1.00 42.92 O ATOM 772 NE2 GLN A 452 9.236 -9.063 0.799 1.00 42.65 N ATOM 773 HE22 GLN A 452 8.845 -9.098 -0.164 1.00 0.00 H ATOM 774 HE21 GLN A 452 8.749 -9.553 1.576 1.00 0.00 H ATOM 775 H GLN A 452 14.418 -5.292 0.115 1.00 0.00 H ATOM 776 N TYR A 453 11.589 -5.586 -2.699 1.00 21.03 N ATOM 777 CA TYR A 453 10.643 -4.608 -3.222 1.00 19.19 C ATOM 778 C TYR A 453 9.251 -5.215 -3.279 1.00 22.25 C ATOM 779 O TYR A 453 9.085 -6.367 -3.681 1.00 23.64 O ATOM 780 CB TYR A 453 11.069 -4.129 -4.613 1.00 18.08 C ATOM 781 CG TYR A 453 10.172 -3.064 -5.210 1.00 19.18 C ATOM 782 CD1 TYR A 453 10.074 -1.803 -4.632 1.00 18.75 C ATOM 783 CD2 TYR A 453 9.438 -3.311 -6.363 1.00 21.86 C ATOM 784 CE1 TYR A 453 9.261 -0.824 -5.178 1.00 21.26 C ATOM 785 CE2 TYR A 453 8.623 -2.337 -6.917 1.00 21.83 C ATOM 786 CZ TYR A 453 8.539 -1.096 -6.324 1.00 22.19 C ATOM 787 OH TYR A 453 7.733 -0.122 -6.872 1.00 23.56 O ATOM 788 HH TYR A 453 6.796 -0.442 -6.890 1.00 0.00 H ATOM 789 H TYR A 453 11.791 -6.444 -3.251 1.00 0.00 H ATOM 790 N ILE A 454 8.254 -4.442 -2.863 1.00 21.35 N ATOM 791 CA ILE A 454 6.870 -4.897 -2.902 1.00 21.46 C ATOM 792 C ILE A 454 6.025 -3.943 -3.739 1.00 24.89 C ATOM 793 O ILE A 454 5.858 -2.773 -3.390 1.00 22.47 O ATOM 794 CB ILE A 454 6.262 -5.034 -1.485 1.00 23.84 C ATOM 795 CG1 ILE A 454 7.125 -5.957 -0.620 1.00 26.28 C ATOM 796 CG2 ILE A 454 4.827 -5.535 -1.568 1.00 27.43 C ATOM 797 CD1 ILE A 454 6.628 -6.109 0.801 1.00 25.08 C ATOM 798 H ILE A 454 8.466 -3.490 -2.501 1.00 0.00 H ATOM 799 N GLU A 455 5.505 -4.446 -4.854 1.00 27.05 N ATOM 800 CA GLU A 455 4.694 -3.638 -5.758 1.00 28.68 C ATOM 801 C GLU A 455 3.306 -3.391 -5.193 1.00 33.74 C ATOM 802 O GLU A 455 2.957 -3.902 -4.129 1.00 33.78 O ATOM 803 CB GLU A 455 4.561 -4.323 -7.114 1.00 39.31 C ATOM 804 CG GLU A 455 5.871 -4.596 -7.805 1.00 34.51 C ATOM 805 CD GLU A 455 5.702 -5.505 -8.998 1.00 34.43 C ATOM 806 OE1 GLU A 455 4.795 -5.250 -9.818 1.00 34.56 O ATOM 807 OE2 GLU A 455 6.472 -6.479 -9.107 1.00 28.73 O ATOM 808 H GLU A 455 5.681 -5.444 -5.089 1.00 0.00 H ATOM 809 N ARG A 456 2.516 -2.609 -5.923 1.00 35.36 N ATOM 810 CA ARG A 456 1.147 -2.307 -5.526 1.00 41.63 C ATOM 811 C ARG A 456 0.299 -3.572 -5.425 1.00 36.95 C ATOM 812 O ARG A 456 -0.478 -3.732 -4.484 1.00 47.32 O ATOM 813 CB ARG A 456 0.507 -1.326 -6.511 1.00 41.85 C ATOM 814 CG ARG A 456 1.172 0.040 -6.552 1.00 42.00 C ATOM 815 CD ARG A 456 0.440 0.982 -7.497 1.00 45.57 C ATOM 816 NE ARG A 456 -0.972 1.113 -7.149 1.00 58.01 N ATOM 817 CZ ARG A 456 -1.452 2.007 -6.290 1.00 57.05 C ATOM 818 NH1 ARG A 456 -0.633 2.856 -5.685 1.00 56.80 N ATOM 819 NH2 ARG A 456 -2.753 2.051 -6.035 1.00 59.08 N ATOM 820 HE ARG A 456 -1.646 0.464 -7.603 1.00 0.00 H ATOM 821 HH12 ARG A 456 -1.011 3.554 -5.013 1.00 0.00 H ATOM 822 HH11 ARG A 456 0.388 2.824 -5.882 1.00 0.00 H ATOM 823 HH22 ARG A 456 -3.128 2.751 -5.363 1.00 0.00 H ATOM 824 HH21 ARG A 456 -3.398 1.386 -6.507 1.00 0.00 H ATOM 825 H ARG A 456 2.887 -2.200 -6.805 1.00 0.00 H ATOM 826 N ASP A 457 0.459 -4.472 -6.390 1.00 35.51 N ATOM 827 CA ASP A 457 -0.321 -5.707 -6.417 1.00 39.13 C ATOM 828 C ASP A 457 0.168 -6.737 -5.399 1.00 45.83 C ATOM 829 O ASP A 457 -0.396 -7.825 -5.287 1.00 41.64 O ATOM 830 CB ASP A 457 -0.328 -6.316 -7.822 1.00 33.69 C ATOM 831 CG ASP A 457 1.067 -6.517 -8.375 1.00 49.39 C ATOM 832 OD1 ASP A 457 1.454 -5.771 -9.297 1.00 66.36 O ATOM 833 OD2 ASP A 457 1.779 -7.417 -7.885 1.00 37.91 O ATOM 834 H ASP A 457 1.155 -4.293 -7.142 1.00 0.00 H ATOM 835 N GLY A 458 1.223 -6.393 -4.667 1.00 44.31 N ATOM 836 CA GLY A 458 1.717 -7.244 -3.600 1.00 27.85 C ATOM 837 C GLY A 458 2.884 -8.132 -3.986 1.00 27.12 C ATOM 838 O GLY A 458 3.431 -8.840 -3.143 1.00 31.56 O ATOM 839 H GLY A 458 1.706 -5.493 -4.863 1.00 0.00 H ATOM 840 N THR A 459 3.267 -8.101 -5.259 1.00 27.02 N ATOM 841 CA THR A 459 4.373 -8.924 -5.736 1.00 24.80 C ATOM 842 C THR A 459 5.676 -8.541 -5.042 1.00 26.45 C ATOM 843 O THR A 459 6.052 -7.368 -5.003 1.00 27.14 O ATOM 844 CB THR A 459 4.552 -8.812 -7.263 1.00 34.26 C ATOM 845 OG1 THR A 459 3.319 -9.144 -7.914 1.00 35.66 O ATOM 846 CG2 THR A 459 5.645 -9.754 -7.746 1.00 29.39 C ATOM 847 HG1 THR A 459 2.612 -8.518 -7.617 1.00 0.00 H ATOM 848 H THR A 459 2.769 -7.479 -5.927 1.00 0.00 H ATOM 849 N GLU A 460 6.354 -9.540 -4.488 1.00 28.16 N ATOM 850 CA GLU A 460 7.608 -9.321 -3.782 1.00 27.43 C ATOM 851 C GLU A 460 8.804 -9.745 -4.627 1.00 31.17 C ATOM 852 O GLU A 460 8.891 -10.888 -5.072 1.00 31.41 O ATOM 853 CB GLU A 460 7.604 -10.072 -2.452 1.00 36.00 C ATOM 854 CG GLU A 460 6.521 -9.605 -1.497 1.00 33.00 C ATOM 855 CD GLU A 460 6.404 -10.489 -0.276 1.00 35.69 C ATOM 856 OE1 GLU A 460 6.900 -11.634 -0.323 1.00 42.20 O ATOM 857 OE2 GLU A 460 5.817 -10.040 0.731 1.00 39.92 O ATOM 858 H GLU A 460 5.978 -10.507 -4.561 1.00 0.00 H ATOM 859 N SER A 461 9.722 -8.809 -4.844 1.00 25.14 N ATOM 860 CA SER A 461 10.924 -9.066 -5.624 1.00 24.90 C ATOM 861 C SER A 461 12.158 -8.910 -4.748 1.00 23.49 C ATOM 862 O SER A 461 12.160 -8.123 -3.803 1.00 24.51 O ATOM 863 CB SER A 461 11.006 -8.099 -6.804 1.00 26.59 C ATOM 864 OG SER A 461 9.856 -8.194 -7.628 1.00 44.60 O ATOM 865 HG SER A 461 9.051 -7.975 -7.095 1.00 0.00 H ATOM 866 H SER A 461 9.577 -7.861 -4.443 1.00 0.00 H ATOM 867 N TYR A 462 13.212 -9.650 -5.072 1.00 25.04 N ATOM 868 CA TYR A 462 14.459 -9.568 -4.324 1.00 20.15 C ATOM 869 C TYR A 462 15.623 -9.167 -5.227 1.00 27.96 C ATOM 870 O TYR A 462 15.729 -9.620 -6.364 1.00 27.00 O ATOM 871 CB TYR A 462 14.727 -10.881 -3.585 1.00 29.99 C ATOM 872 CG TYR A 462 13.625 -11.225 -2.607 1.00 26.42 C ATOM 873 CD1 TYR A 462 12.570 -12.049 -2.979 1.00 31.59 C ATOM 874 CD2 TYR A 462 13.624 -10.701 -1.321 1.00 26.22 C ATOM 875 CE1 TYR A 462 11.554 -12.353 -2.091 1.00 41.73 C ATOM 876 CE2 TYR A 462 12.612 -11.000 -0.426 1.00 28.78 C ATOM 877 CZ TYR A 462 11.580 -11.826 -0.816 1.00 36.72 C ATOM 878 OH TYR A 462 10.571 -12.127 0.070 1.00 40.37 O ATOM 879 HH TYR A 462 9.917 -12.727 -0.368 1.00 0.00 H ATOM 880 H TYR A 462 13.145 -10.303 -5.879 1.00 0.00 H ATOM 881 N LEU A 463 16.484 -8.300 -4.707 1.00 23.47 N ATOM 882 CA LEU A 463 17.550 -7.683 -5.484 1.00 22.40 C ATOM 883 C LEU A 463 18.590 -7.137 -4.516 1.00 19.93 C ATOM 884 O LEU A 463 18.557 -7.454 -3.330 1.00 20.66 O ATOM 885 CB LEU A 463 16.985 -6.547 -6.343 1.00 21.40 C ATOM 886 CG LEU A 463 16.053 -5.569 -5.618 1.00 22.30 C ATOM 887 CD1 LEU A 463 16.327 -4.136 -6.037 1.00 31.77 C ATOM 888 CD2 LEU A 463 14.591 -5.913 -5.870 1.00 26.24 C ATOM 889 H LEU A 463 16.393 -8.051 -3.701 1.00 0.00 H ATOM 890 N THR A 464 19.521 -6.336 -5.022 1.00 20.79 N ATOM 891 CA THR A 464 20.477 -5.648 -4.162 1.00 20.84 C ATOM 892 C THR A 464 20.611 -4.195 -4.587 1.00 21.91 C ATOM 893 O THR A 464 20.117 -3.794 -5.640 1.00 22.02 O ATOM 894 CB THR A 464 21.882 -6.287 -4.203 1.00 23.73 C ATOM 895 OG1 THR A 464 22.459 -6.100 -5.502 1.00 24.71 O ATOM 896 CG2 THR A 464 21.828 -7.773 -3.868 1.00 23.16 C ATOM 897 HG1 THR A 464 23.359 -6.511 -5.524 1.00 0.00 H ATOM 898 H THR A 464 19.569 -6.197 -6.052 1.00 0.00 H ATOM 899 N VAL A 465 21.288 -3.408 -3.757 1.00 22.64 N ATOM 900 CA VAL A 465 21.568 -2.015 -4.075 1.00 21.65 C ATOM 901 C VAL A 465 22.414 -1.894 -5.346 1.00 26.99 C ATOM 902 O VAL A 465 22.227 -0.975 -6.145 1.00 31.28 O ATOM 903 CB VAL A 465 22.276 -1.321 -2.895 1.00 23.97 C ATOM 904 CG1 VAL A 465 22.703 0.079 -3.275 1.00 31.24 C ATOM 905 CG2 VAL A 465 21.361 -1.290 -1.679 1.00 28.71 C ATOM 906 H VAL A 465 21.627 -3.798 -2.855 1.00 0.00 H ATOM 907 N SER A 466 23.332 -2.836 -5.542 1.00 27.32 N ATOM 908 CA SER A 466 24.209 -2.806 -6.709 1.00 27.23 C ATOM 909 C SER A 466 23.559 -3.399 -7.957 1.00 29.64 C ATOM 910 O SER A 466 23.832 -2.962 -9.075 1.00 32.09 O ATOM 911 CB SER A 466 25.520 -3.539 -6.416 1.00 31.46 C ATOM 912 OG SER A 466 26.290 -2.843 -5.451 1.00 46.29 O ATOM 913 HG SER A 466 25.774 -2.769 -4.610 1.00 0.00 H ATOM 914 H SER A 466 23.427 -3.608 -4.852 1.00 0.00 H ATOM 915 N SER A 467 22.697 -4.392 -7.761 1.00 22.07 N ATOM 916 CA SER A 467 22.093 -5.117 -8.876 1.00 26.22 C ATOM 917 C SER A 467 20.573 -5.021 -8.847 1.00 23.31 C ATOM 918 O SER A 467 19.910 -5.757 -8.119 1.00 23.56 O ATOM 919 CB SER A 467 22.520 -6.587 -8.843 1.00 22.92 C ATOM 920 OG SER A 467 23.931 -6.704 -8.809 1.00 26.77 O ATOM 921 HG SER A 467 24.316 -6.279 -9.616 1.00 0.00 H ATOM 922 H SER A 467 22.446 -4.660 -6.788 1.00 0.00 H ATOM 923 N HIS A 468 20.026 -4.120 -9.654 1.00 21.47 N ATOM 924 CA HIS A 468 18.597 -3.843 -9.634 1.00 22.36 C ATOM 925 C HIS A 468 18.103 -3.387 -11.003 1.00 22.92 C ATOM 926 O HIS A 468 18.888 -2.892 -11.811 1.00 26.15 O ATOM 927 CB HIS A 468 18.308 -2.755 -8.599 1.00 22.66 C ATOM 928 CG HIS A 468 19.001 -1.458 -8.878 1.00 22.15 C ATOM 929 ND1 HIS A 468 18.500 -0.521 -9.755 1.00 25.34 N ATOM 930 CD2 HIS A 468 20.155 -0.941 -8.393 1.00 30.51 C ATOM 931 CE1 HIS A 468 19.315 0.517 -9.799 1.00 37.56 C ATOM 932 NE2 HIS A 468 20.327 0.288 -8.982 1.00 32.64 N ATOM 933 H HIS A 468 20.634 -3.599 -10.318 1.00 0.00 H ATOM 934 N PRO A 469 16.795 -3.547 -11.266 1.00 21.25 N ATOM 935 CA PRO A 469 16.225 -3.017 -12.509 1.00 21.53 C ATOM 936 C PRO A 469 16.388 -1.504 -12.546 1.00 24.63 C ATOM 937 O PRO A 469 16.303 -0.857 -11.503 1.00 22.50 O ATOM 938 CB PRO A 469 14.741 -3.370 -12.391 1.00 26.84 C ATOM 939 CG PRO A 469 14.693 -4.518 -11.450 1.00 33.57 C ATOM 940 CD PRO A 469 15.795 -4.277 -10.468 1.00 29.14 C ATOM 941 N ASN A 470 16.619 -0.944 -13.728 1.00 21.49 N ATOM 942 CA ASN A 470 16.793 0.497 -13.849 1.00 22.65 C ATOM 943 C ASN A 470 15.568 1.262 -13.359 1.00 26.24 C ATOM 944 O ASN A 470 15.677 2.390 -12.882 1.00 21.79 O ATOM 945 CB ASN A 470 17.118 0.884 -15.293 1.00 23.49 C ATOM 946 CG ASN A 470 17.508 2.343 -15.428 1.00 40.93 C ATOM 947 OD1 ASN A 470 16.741 3.160 -15.934 1.00 50.97 O ATOM 948 ND2 ASN A 470 18.706 2.678 -14.961 1.00 46.21 N ATOM 949 HD22 ASN A 470 19.322 1.953 -14.541 1.00 0.00 H ATOM 950 HD21 ASN A 470 19.028 3.665 -15.016 1.00 0.00 H ATOM 951 H ASN A 470 16.676 -1.542 -14.577 1.00 0.00 H ATOM 952 N SER A 471 14.403 0.628 -13.455 1.00 20.94 N ATOM 953 CA SER A 471 13.153 1.242 -13.024 1.00 18.51 C ATOM 954 C SER A 471 13.121 1.558 -11.527 1.00 19.47 C ATOM 955 O SER A 471 12.313 2.371 -11.082 1.00 24.98 O ATOM 956 CB SER A 471 11.965 0.346 -13.388 1.00 21.19 C ATOM 957 OG SER A 471 12.068 -0.911 -12.745 1.00 20.31 O ATOM 958 HG SER A 471 11.292 -1.472 -12.994 1.00 0.00 H ATOM 959 H SER A 471 14.383 -0.334 -13.849 1.00 0.00 H ATOM 960 N LEU A 472 13.997 0.924 -10.755 1.00 19.63 N ATOM 961 CA LEU A 472 14.011 1.138 -9.308 1.00 19.36 C ATOM 962 C LEU A 472 15.108 2.102 -8.860 1.00 21.29 C ATOM 963 O LEU A 472 15.314 2.302 -7.664 1.00 21.08 O ATOM 964 CB LEU A 472 14.141 -0.193 -8.565 1.00 23.23 C ATOM 965 CG LEU A 472 12.853 -1.011 -8.472 1.00 21.58 C ATOM 966 CD1 LEU A 472 13.112 -2.354 -7.813 1.00 20.53 C ATOM 967 CD2 LEU A 472 11.788 -0.235 -7.707 1.00 27.50 C ATOM 968 H LEU A 472 14.680 0.268 -11.184 1.00 0.00 H ATOM 969 N MET A 473 15.792 2.711 -9.822 1.00 21.32 N ATOM 970 CA MET A 473 16.901 3.615 -9.522 1.00 24.00 C ATOM 971 C MET A 473 16.503 4.759 -8.588 1.00 19.61 C ATOM 972 O MET A 473 17.182 5.019 -7.595 1.00 20.99 O ATOM 973 CB MET A 473 17.497 4.177 -10.814 1.00 25.83 C ATOM 974 CG MET A 473 18.714 5.063 -10.604 1.00 29.24 C ATOM 975 SD MET A 473 20.034 4.226 -9.708 1.00 42.39 S ATOM 976 CE MET A 473 21.384 5.385 -9.926 1.00 47.32 C ATOM 977 H MET A 473 15.532 2.540 -10.814 1.00 0.00 H ATOM 978 N LYS A 474 15.401 5.432 -8.905 1.00 19.13 N ATOM 979 CA LYS A 474 14.950 6.566 -8.103 1.00 19.22 C ATOM 980 C LYS A 474 14.589 6.144 -6.683 1.00 20.53 C ATOM 981 O LYS A 474 15.000 6.778 -5.712 1.00 20.41 O ATOM 982 CB LYS A 474 13.760 7.263 -8.763 1.00 24.38 C ATOM 983 CG LYS A 474 13.290 8.492 -8.006 1.00 33.27 C ATOM 984 CD LYS A 474 12.293 9.303 -8.813 1.00 43.32 C ATOM 985 CE LYS A 474 11.944 10.598 -8.099 1.00 49.66 C ATOM 986 NZ LYS A 474 13.161 11.408 -7.807 1.00 49.62 N ATOM 987 HZ1 LYS A 474 13.803 10.860 -7.200 1.00 0.00 H ATOM 988 HZ2 LYS A 474 13.642 11.643 -8.699 1.00 0.00 H ATOM 989 HZ3 LYS A 474 12.884 12.284 -7.320 1.00 0.00 H ATOM 990 H LYS A 474 14.850 5.146 -9.739 1.00 0.00 H ATOM 991 N LYS A 475 13.827 5.064 -6.564 1.00 19.80 N ATOM 992 CA LYS A 475 13.391 4.594 -5.256 1.00 19.21 C ATOM 993 C LYS A 475 14.551 4.109 -4.388 1.00 18.28 C ATOM 994 O LYS A 475 14.575 4.350 -3.178 1.00 18.35 O ATOM 995 CB LYS A 475 12.317 3.518 -5.406 1.00 16.26 C ATOM 996 CG LYS A 475 10.957 4.095 -5.730 1.00 18.16 C ATOM 997 CD LYS A 475 9.945 3.028 -6.092 1.00 17.30 C ATOM 998 CE LYS A 475 8.582 3.667 -6.304 1.00 22.30 C ATOM 999 NZ LYS A 475 7.577 2.697 -6.819 1.00 24.12 N ATOM 1000 HZ1 LYS A 475 7.900 2.316 -7.731 1.00 0.00 H ATOM 1001 HZ2 LYS A 475 7.466 1.920 -6.137 1.00 0.00 H ATOM 1002 HZ3 LYS A 475 6.665 3.180 -6.947 1.00 0.00 H ATOM 1003 H LYS A 475 13.537 4.545 -7.417 1.00 0.00 H ATOM 1004 N ILE A 476 15.513 3.427 -5.000 1.00 18.31 N ATOM 1005 CA ILE A 476 16.690 2.980 -4.268 1.00 17.22 C ATOM 1006 C ILE A 476 17.518 4.174 -3.789 1.00 18.74 C ATOM 1007 O ILE A 476 18.009 4.179 -2.661 1.00 20.91 O ATOM 1008 CB ILE A 476 17.540 2.003 -5.101 1.00 19.64 C ATOM 1009 CG1 ILE A 476 16.781 0.686 -5.260 1.00 22.08 C ATOM 1010 CG2 ILE A 476 18.879 1.746 -4.431 1.00 23.21 C ATOM 1011 CD1 ILE A 476 17.449 -0.292 -6.179 1.00 20.73 C ATOM 1012 H ILE A 476 15.425 3.210 -6.013 1.00 0.00 H ATOM 1013 N THR A 477 17.655 5.183 -4.644 1.00 18.50 N ATOM 1014 CA THR A 477 18.359 6.405 -4.271 1.00 18.19 C ATOM 1015 C THR A 477 17.684 7.078 -3.077 1.00 20.89 C ATOM 1016 O THR A 477 18.353 7.505 -2.135 1.00 18.65 O ATOM 1017 CB THR A 477 18.451 7.387 -5.454 1.00 23.02 C ATOM 1018 OG1 THR A 477 19.192 6.777 -6.517 1.00 27.29 O ATOM 1019 CG2 THR A 477 19.152 8.669 -5.034 1.00 29.71 C ATOM 1020 HG1 THR A 477 19.253 7.406 -7.279 1.00 0.00 H ATOM 1021 H THR A 477 17.252 5.099 -5.599 1.00 0.00 H ATOM 1022 N LEU A 478 16.358 7.149 -3.107 1.00 18.64 N ATOM 1023 CA LEU A 478 15.601 7.727 -1.997 1.00 17.31 C ATOM 1024 C LEU A 478 15.829 6.958 -0.699 1.00 17.35 C ATOM 1025 O LEU A 478 16.036 7.559 0.354 1.00 19.28 O ATOM 1026 CB LEU A 478 14.109 7.779 -2.330 1.00 17.90 C ATOM 1027 CG LEU A 478 13.721 8.835 -3.366 1.00 19.62 C ATOM 1028 CD1 LEU A 478 12.275 8.662 -3.810 1.00 19.20 C ATOM 1029 CD2 LEU A 478 13.946 10.234 -2.808 1.00 25.54 C ATOM 1030 H LEU A 478 15.847 6.786 -3.937 1.00 0.00 H ATOM 1031 N LEU A 479 15.798 5.630 -0.776 1.00 18.62 N ATOM 1032 CA LEU A 479 16.044 4.808 0.406 1.00 16.79 C ATOM 1033 C LEU A 479 17.421 5.100 0.991 1.00 18.94 C ATOM 1034 O LEU A 479 17.573 5.193 2.208 1.00 19.62 O ATOM 1035 CB LEU A 479 15.900 3.318 0.082 1.00 19.04 C ATOM 1036 CG LEU A 479 16.085 2.370 1.278 1.00 19.98 C ATOM 1037 CD1 LEU A 479 15.097 1.220 1.226 1.00 23.97 C ATOM 1038 CD2 LEU A 479 17.512 1.837 1.351 1.00 26.24 C ATOM 1039 H LEU A 479 15.596 5.172 -1.688 1.00 0.00 H ATOM 1040 N LYS A 480 18.416 5.248 0.119 1.00 21.19 N ATOM 1041 CA LYS A 480 19.768 5.590 0.550 1.00 19.76 C ATOM 1042 C LYS A 480 19.776 6.872 1.368 1.00 19.33 C ATOM 1043 O LYS A 480 20.413 6.942 2.418 1.00 19.28 O ATOM 1044 CB LYS A 480 20.687 5.767 -0.655 1.00 22.20 C ATOM 1045 CG LYS A 480 21.119 4.483 -1.329 1.00 27.66 C ATOM 1046 CD LYS A 480 22.020 4.809 -2.510 1.00 27.87 C ATOM 1047 CE LYS A 480 22.754 3.583 -3.001 1.00 44.87 C ATOM 1048 NZ LYS A 480 23.612 3.004 -1.929 1.00 55.93 N ATOM 1049 HZ1 LYS A 480 24.312 3.712 -1.627 1.00 0.00 H ATOM 1050 HZ2 LYS A 480 23.018 2.734 -1.119 1.00 0.00 H ATOM 1051 HZ3 LYS A 480 24.103 2.164 -2.296 1.00 0.00 H ATOM 1052 H LYS A 480 18.225 5.117 -0.895 1.00 0.00 H ATOM 1053 N TYR A 481 19.069 7.887 0.880 1.00 17.27 N ATOM 1054 CA TYR A 481 18.981 9.159 1.592 1.00 18.43 C ATOM 1055 C TYR A 481 18.337 8.993 2.969 1.00 21.68 C ATOM 1056 O TYR A 481 18.848 9.509 3.964 1.00 18.66 O ATOM 1057 CB TYR A 481 18.220 10.203 0.769 1.00 17.80 C ATOM 1058 CG TYR A 481 19.050 10.885 -0.296 1.00 24.91 C ATOM 1059 CD1 TYR A 481 20.008 11.831 0.045 1.00 29.75 C ATOM 1060 CD2 TYR A 481 18.861 10.600 -1.642 1.00 28.38 C ATOM 1061 CE1 TYR A 481 20.766 12.464 -0.923 1.00 38.89 C ATOM 1062 CE2 TYR A 481 19.616 11.230 -2.620 1.00 26.02 C ATOM 1063 CZ TYR A 481 20.565 12.158 -2.253 1.00 33.80 C ATOM 1064 OH TYR A 481 21.315 12.786 -3.219 1.00 30.68 O ATOM 1065 HH TYR A 481 21.944 13.417 -2.788 1.00 0.00 H ATOM 1066 H TYR A 481 18.570 7.773 -0.025 1.00 0.00 H ATOM 1067 N PHE A 482 17.216 8.279 3.019 1.00 17.57 N ATOM 1068 CA PHE A 482 16.548 7.984 4.287 1.00 17.65 C ATOM 1069 C PHE A 482 17.493 7.244 5.228 1.00 21.74 C ATOM 1070 O PHE A 482 17.615 7.594 6.402 1.00 20.06 O ATOM 1071 CB PHE A 482 15.301 7.123 4.064 1.00 18.27 C ATOM 1072 CG PHE A 482 14.070 7.897 3.677 1.00 16.78 C ATOM 1073 CD1 PHE A 482 13.555 7.808 2.394 1.00 21.20 C ATOM 1074 CD2 PHE A 482 13.413 8.694 4.601 1.00 18.59 C ATOM 1075 CE1 PHE A 482 12.417 8.502 2.035 1.00 19.38 C ATOM 1076 CE2 PHE A 482 12.272 9.394 4.248 1.00 19.85 C ATOM 1077 CZ PHE A 482 11.773 9.300 2.963 1.00 21.93 C ATOM 1078 H PHE A 482 16.804 7.921 2.134 1.00 0.00 H ATOM 1079 N ARG A 483 18.151 6.214 4.700 1.00 19.66 N ATOM 1080 CA ARG A 483 19.060 5.384 5.481 1.00 21.30 C ATOM 1081 C ARG A 483 20.183 6.201 6.098 1.00 23.59 C ATOM 1082 O ARG A 483 20.442 6.109 7.298 1.00 24.33 O ATOM 1083 CB ARG A 483 19.644 4.260 4.630 1.00 20.04 C ATOM 1084 CG ARG A 483 20.296 3.167 5.457 1.00 24.40 C ATOM 1085 CD ARG A 483 21.338 2.416 4.661 1.00 28.90 C ATOM 1086 NE ARG A 483 21.933 1.337 5.441 1.00 25.74 N ATOM 1087 CZ ARG A 483 23.071 0.731 5.123 1.00 26.46 C ATOM 1088 NH1 ARG A 483 23.740 1.107 4.043 1.00 26.89 N ATOM 1089 NH2 ARG A 483 23.543 -0.243 5.888 1.00 27.08 N ATOM 1090 HE ARG A 483 21.436 1.023 6.299 1.00 0.00 H ATOM 1091 HH12 ARG A 483 24.631 0.634 3.792 1.00 0.00 H ATOM 1092 HH11 ARG A 483 23.374 1.876 3.446 1.00 0.00 H ATOM 1093 HH22 ARG A 483 24.434 -0.716 5.637 1.00 0.00 H ATOM 1094 HH21 ARG A 483 23.022 -0.534 6.740 1.00 0.00 H ATOM 1095 H ARG A 483 18.011 5.993 3.693 1.00 0.00 H ATOM 1096 N ASN A 484 20.856 6.991 5.267 1.00 21.19 N ATOM 1097 CA ASN A 484 21.972 7.803 5.734 1.00 26.61 C ATOM 1098 C ASN A 484 21.556 8.807 6.807 1.00 25.15 C ATOM 1099 O ASN A 484 22.271 9.000 7.788 1.00 24.84 O ATOM 1100 CB ASN A 484 22.656 8.508 4.560 1.00 27.01 C ATOM 1101 CG ASN A 484 23.219 7.531 3.541 1.00 37.17 C ATOM 1102 OD1 ASN A 484 23.442 6.358 3.842 1.00 39.80 O ATOM 1103 ND2 ASN A 484 23.454 8.014 2.326 1.00 43.18 N ATOM 1104 HD22 ASN A 484 23.251 9.012 2.115 1.00 0.00 H ATOM 1105 HD21 ASN A 484 23.841 7.394 1.586 1.00 0.00 H ATOM 1106 H ASN A 484 20.581 7.030 4.265 1.00 0.00 H ATOM 1107 N TYR A 485 20.395 9.432 6.627 1.00 21.90 N ATOM 1108 CA TYR A 485 19.881 10.374 7.617 1.00 22.40 C ATOM 1109 C TYR A 485 19.652 9.681 8.960 1.00 21.06 C ATOM 1110 O TYR A 485 19.992 10.224 10.010 1.00 21.02 O ATOM 1111 CB TYR A 485 18.590 11.044 7.129 1.00 21.59 C ATOM 1112 CG TYR A 485 18.087 12.139 8.050 1.00 18.88 C ATOM 1113 CD1 TYR A 485 18.455 13.463 7.851 1.00 22.17 C ATOM 1114 CD2 TYR A 485 17.250 11.848 9.122 1.00 20.56 C ATOM 1115 CE1 TYR A 485 18.004 14.463 8.690 1.00 21.10 C ATOM 1116 CE2 TYR A 485 16.796 12.843 9.968 1.00 20.87 C ATOM 1117 CZ TYR A 485 17.176 14.148 9.746 1.00 22.24 C ATOM 1118 OH TYR A 485 16.727 15.139 10.586 1.00 27.14 O ATOM 1119 HH TYR A 485 17.090 16.011 10.289 1.00 0.00 H ATOM 1120 H TYR A 485 19.844 9.246 5.765 1.00 0.00 H ATOM 1121 N MET A 486 19.081 8.480 8.923 1.00 22.53 N ATOM 1122 CA MET A 486 18.774 7.745 10.149 1.00 23.53 C ATOM 1123 C MET A 486 19.980 6.999 10.712 1.00 25.20 C ATOM 1124 O MET A 486 19.903 6.385 11.777 1.00 30.10 O ATOM 1125 CB MET A 486 17.612 6.775 9.928 1.00 20.27 C ATOM 1126 CG MET A 486 16.272 7.449 9.708 1.00 19.61 C ATOM 1127 SD MET A 486 14.939 6.255 9.510 1.00 20.27 S ATOM 1128 CE MET A 486 15.362 5.551 7.918 1.00 27.80 C ATOM 1129 H MET A 486 18.848 8.055 8.003 1.00 0.00 H ATOM 1130 N SER A 487 21.091 7.038 9.991 1.00 25.25 N ATOM 1131 CA SER A 487 22.329 6.470 10.502 1.00 22.91 C ATOM 1132 C SER A 487 23.130 7.566 11.191 1.00 33.20 C ATOM 1133 O SER A 487 23.894 7.307 12.124 1.00 27.36 O ATOM 1134 CB SER A 487 23.149 5.853 9.371 1.00 25.89 C ATOM 1135 OG SER A 487 24.362 5.308 9.860 1.00 33.15 O ATOM 1136 HG SER A 487 24.897 6.025 10.285 1.00 0.00 H ATOM 1137 H SER A 487 21.078 7.480 9.049 1.00 0.00 H ATOM 1138 N GLU A 488 22.933 8.797 10.731 1.00 24.00 N ATOM 1139 CA GLU A 488 23.724 9.930 11.194 1.00 25.00 C ATOM 1140 C GLU A 488 23.064 10.757 12.292 1.00 29.84 C ATOM 1141 O GLU A 488 23.753 11.385 13.093 1.00 26.28 O ATOM 1142 CB GLU A 488 24.044 10.860 10.014 1.00 23.82 C ATOM 1143 CG GLU A 488 25.010 10.284 8.996 1.00 29.77 C ATOM 1144 CD GLU A 488 26.443 10.268 9.493 1.00 46.13 C ATOM 1145 OE1 GLU A 488 26.747 10.994 10.463 1.00 45.26 O ATOM 1146 OE2 GLU A 488 27.265 9.529 8.913 1.00 45.68 O ATOM 1147 H GLU A 488 22.192 8.957 10.019 1.00 0.00 H ATOM 1148 N HIS A 489 21.731 10.779 12.362 1.00 26.15 N ATOM 1149 CA HIS A 489 21.067 11.893 13.068 1.00 26.20 C ATOM 1150 C HIS A 489 20.063 11.690 14.232 1.00 32.80 C ATOM 1151 O HIS A 489 19.764 12.656 14.934 1.00 26.95 O ATOM 1152 CB HIS A 489 20.446 12.855 12.044 1.00 28.27 C ATOM 1153 CG HIS A 489 21.454 13.599 11.223 1.00 26.45 C ATOM 1154 ND1 HIS A 489 22.389 14.445 11.780 1.00 30.51 N ATOM 1155 CD2 HIS A 489 21.669 13.629 9.887 1.00 27.84 C ATOM 1156 CE1 HIS A 489 23.139 14.961 10.822 1.00 24.81 C ATOM 1157 NE2 HIS A 489 22.722 14.482 9.664 1.00 24.95 N ATOM 1158 H HIS A 489 21.168 10.022 11.925 1.00 0.00 H ATOM 1159 N LEU A 490 19.534 10.488 14.452 1.00 23.22 N ATOM 1160 CA LEU A 490 18.466 10.329 15.458 1.00 27.36 C ATOM 1161 C LEU A 490 18.777 9.307 16.560 1.00 27.64 C ATOM 1162 O LEU A 490 19.743 8.553 16.443 1.00 26.54 O ATOM 1163 CB LEU A 490 17.144 9.977 14.769 1.00 23.40 C ATOM 1164 CG LEU A 490 16.671 10.967 13.699 1.00 21.15 C ATOM 1165 CD1 LEU A 490 15.416 10.460 13.006 1.00 24.31 C ATOM 1166 CD2 LEU A 490 16.438 12.344 14.304 1.00 26.46 C ATOM 1167 H LEU A 490 19.873 9.663 13.916 1.00 0.00 H ATOM 1168 N LEU A 491 17.973 9.274 17.629 1.00 22.19 N ATOM 1169 CA LEU A 491 18.205 8.266 18.655 1.00 23.86 C ATOM 1170 C LEU A 491 17.516 6.966 18.282 1.00 23.69 C ATOM 1171 O LEU A 491 16.473 6.967 17.633 1.00 24.82 O ATOM 1172 CB LEU A 491 17.683 8.746 20.010 1.00 24.24 C ATOM 1173 CG LEU A 491 18.488 9.813 20.745 1.00 43.75 C ATOM 1174 CD1 LEU A 491 17.740 10.251 21.991 1.00 45.45 C ATOM 1175 CD2 LEU A 491 19.866 9.280 21.103 1.00 39.83 C ATOM 1176 H LEU A 491 17.195 9.957 17.726 1.00 0.00 H ATOM 1177 N LYS A 492 18.112 5.856 18.700 1.00 23.31 N ATOM 1178 CA LYS A 492 17.528 4.542 18.497 1.00 22.21 C ATOM 1179 C LYS A 492 16.527 4.253 19.606 1.00 22.05 C ATOM 1180 O LYS A 492 16.914 4.090 20.761 1.00 27.41 O ATOM 1181 CB LYS A 492 18.616 3.473 18.546 1.00 26.97 C ATOM 1182 CG LYS A 492 19.217 3.109 17.212 1.00 22.91 C ATOM 1183 CD LYS A 492 20.254 2.017 17.394 1.00 28.25 C ATOM 1184 CE LYS A 492 20.576 1.343 16.082 1.00 32.77 C ATOM 1185 NZ LYS A 492 21.084 2.309 15.072 1.00 29.06 N ATOM 1186 HZ1 LYS A 492 20.362 3.037 14.896 1.00 0.00 H ATOM 1187 HZ2 LYS A 492 21.951 2.758 15.429 1.00 0.00 H ATOM 1188 HZ3 LYS A 492 21.293 1.805 14.186 1.00 0.00 H ATOM 1189 H LYS A 492 19.027 5.930 19.189 1.00 0.00 H ATOM 1190 N ALA A 493 15.241 4.201 19.269 1.00 19.10 N ATOM 1191 CA ALA A 493 14.238 3.818 20.258 1.00 18.98 C ATOM 1192 C ALA A 493 14.459 2.370 20.683 1.00 17.52 C ATOM 1193 O ALA A 493 14.707 1.500 19.848 1.00 18.17 O ATOM 1194 CB ALA A 493 12.832 4.007 19.710 1.00 20.81 C ATOM 1195 H ALA A 493 14.950 4.434 18.298 1.00 0.00 H ATOM 1196 N GLY A 494 14.379 2.118 21.986 1.00 19.09 N ATOM 1197 CA GLY A 494 14.587 0.780 22.511 1.00 19.61 C ATOM 1198 C GLY A 494 16.017 0.291 22.384 1.00 20.88 C ATOM 1199 O GLY A 494 16.261 -0.909 22.239 1.00 23.68 O ATOM 1200 H GLY A 494 14.163 2.895 22.643 1.00 0.00 H ATOM 1201 N ALA A 495 16.968 1.220 22.433 1.00 25.18 N ATOM 1202 CA ALA A 495 18.381 0.868 22.329 1.00 24.91 C ATOM 1203 C ALA A 495 18.821 -0.033 23.480 1.00 25.31 C ATOM 1204 O ALA A 495 19.713 -0.865 23.321 1.00 32.00 O ATOM 1205 CB ALA A 495 19.240 2.124 22.273 1.00 27.30 C ATOM 1206 H ALA A 495 16.699 2.218 22.548 1.00 0.00 H ATOM 1207 N ASN A 496 18.182 0.136 24.633 1.00 28.04 N ATOM 1208 CA ASN A 496 18.510 -0.643 25.823 1.00 31.43 C ATOM 1209 C ASN A 496 17.748 -1.966 25.906 1.00 28.30 C ATOM 1210 O ASN A 496 17.836 -2.682 26.904 1.00 28.89 O ATOM 1211 CB ASN A 496 18.260 0.188 27.084 1.00 28.36 C ATOM 1212 CG ASN A 496 16.818 0.652 27.202 1.00 32.98 C ATOM 1213 OD1 ASN A 496 16.056 0.609 26.234 1.00 28.49 O ATOM 1214 ND2 ASN A 496 16.441 1.110 28.391 1.00 30.46 N ATOM 1215 HD22 ASN A 496 17.118 1.128 29.180 1.00 0.00 H ATOM 1216 HD21 ASN A 496 15.469 1.451 28.533 1.00 0.00 H ATOM 1217 H ASN A 496 17.424 0.846 24.689 1.00 0.00 H ATOM 1218 N ILE A 497 17.006 -2.290 24.853 1.00 25.89 N ATOM 1219 CA ILE A 497 16.217 -3.515 24.825 1.00 24.96 C ATOM 1220 C ILE A 497 16.922 -4.624 24.049 1.00 33.07 C ATOM 1221 O ILE A 497 17.472 -4.390 22.972 1.00 34.59 O ATOM 1222 CB ILE A 497 14.828 -3.269 24.200 1.00 26.53 C ATOM 1223 CG1 ILE A 497 14.089 -2.164 24.957 1.00 24.35 C ATOM 1224 CG2 ILE A 497 14.013 -4.551 24.182 1.00 26.36 C ATOM 1225 CD1 ILE A 497 12.716 -1.840 24.394 1.00 32.22 C ATOM 1226 H ILE A 497 16.988 -1.655 24.030 1.00 0.00 H ATOM 1227 N THR A 498 16.913 -5.830 24.611 1.00 34.75 N ATOM 1228 CA THR A 498 17.370 -7.012 23.896 1.00 36.99 C ATOM 1229 C THR A 498 16.189 -7.608 23.148 1.00 36.18 C ATOM 1230 O THR A 498 15.255 -8.119 23.769 1.00 32.37 O ATOM 1231 CB THR A 498 17.897 -8.087 24.859 1.00 44.70 C ATOM 1232 OG1 THR A 498 18.443 -7.465 26.028 1.00 46.50 O ATOM 1233 CG2 THR A 498 18.957 -8.944 24.178 1.00 38.14 C ATOM 1234 HG1 THR A 498 17.738 -6.937 26.480 1.00 0.00 H ATOM 1235 H THR A 498 16.570 -5.931 25.588 1.00 0.00 H ATOM 1236 N PRO A 499 16.218 -7.542 21.809 1.00 44.90 N ATOM 1237 CA PRO A 499 15.116 -8.077 21.003 1.00 34.65 C ATOM 1238 C PRO A 499 15.017 -9.594 21.121 1.00 43.74 C ATOM 1239 O PRO A 499 16.024 -10.264 21.353 1.00 42.19 O ATOM 1240 CB PRO A 499 15.505 -7.682 19.571 1.00 32.41 C ATOM 1241 CG PRO A 499 16.502 -6.578 19.726 1.00 45.30 C ATOM 1242 CD PRO A 499 17.250 -6.904 20.976 1.00 36.82 C ATOM 1243 N ARG A 500 13.808 -10.124 20.970 1.00 32.47 N ATOM 1244 CA ARG A 500 13.592 -11.563 20.998 1.00 39.82 C ATOM 1245 C ARG A 500 14.147 -12.195 19.725 1.00 45.34 C ATOM 1246 O ARG A 500 14.222 -11.542 18.686 1.00 38.78 O ATOM 1247 CB ARG A 500 12.097 -11.863 21.127 1.00 37.44 C ATOM 1248 CG ARG A 500 11.755 -13.313 21.421 1.00 36.96 C ATOM 1249 CD ARG A 500 10.269 -13.472 21.696 1.00 44.12 C ATOM 1250 NE ARG A 500 9.899 -14.861 21.951 1.00 56.39 N ATOM 1251 CZ ARG A 500 9.509 -15.714 21.009 1.00 54.72 C ATOM 1252 NH1 ARG A 500 9.437 -15.320 19.744 1.00 51.65 N ATOM 1253 NH2 ARG A 500 9.188 -16.961 21.330 1.00 45.99 N ATOM 1254 HE ARG A 500 9.943 -15.205 22.932 1.00 0.00 H ATOM 1255 HH12 ARG A 500 9.132 -15.988 19.008 1.00 0.00 H ATOM 1256 HH11 ARG A 500 9.686 -14.343 19.489 1.00 0.00 H ATOM 1257 HH22 ARG A 500 8.883 -17.626 20.591 1.00 0.00 H ATOM 1258 HH21 ARG A 500 9.241 -17.273 22.321 1.00 0.00 H ATOM 1259 H ARG A 500 12.994 -9.493 20.828 1.00 0.00 H ATOM 1260 N GLU A 501 14.544 -13.461 19.811 1.00 47.12 N ATOM 1261 CA GLU A 501 15.037 -14.187 18.644 1.00 43.73 C ATOM 1262 C GLU A 501 14.070 -15.290 18.225 1.00 46.18 C ATOM 1263 O GLU A 501 12.865 -15.194 18.454 1.00 49.77 O ATOM 1264 CB GLU A 501 16.422 -14.775 18.918 1.00 47.36 C ATOM 1265 CG GLU A 501 17.519 -13.734 19.066 1.00 67.43 C ATOM 1266 CD GLU A 501 18.889 -14.354 19.262 1.00 69.73 C ATOM 1267 OE1 GLU A 501 19.895 -13.620 19.159 1.00 63.36 O ATOM 1268 OE2 GLU A 501 18.961 -15.574 19.520 1.00 66.24 O ATOM 1269 H GLU A 501 14.502 -13.945 20.730 1.00 0.00 H TER 1270 GLU A 501 ATOM 1271 N ARG A 507 12.796 -13.239 7.696 1.00 51.67 N ATOM 1272 CA ARG A 507 11.868 -12.449 6.895 1.00 48.95 C ATOM 1273 C ARG A 507 11.371 -11.239 7.683 1.00 32.54 C ATOM 1274 O ARG A 507 10.660 -11.382 8.677 1.00 38.97 O ATOM 1275 CB ARG A 507 10.689 -13.310 6.442 1.00 54.86 C ATOM 1276 CG ARG A 507 9.889 -12.711 5.300 1.00 47.51 C ATOM 1277 CD ARG A 507 8.804 -13.665 4.831 1.00 58.84 C ATOM 1278 NE ARG A 507 8.175 -13.207 3.596 1.00 60.93 N ATOM 1279 CZ ARG A 507 7.167 -12.343 3.547 1.00 60.24 C ATOM 1280 NH1 ARG A 507 6.669 -11.836 4.666 1.00 60.89 N ATOM 1281 NH2 ARG A 507 6.658 -11.984 2.379 1.00 57.48 N ATOM 1282 HE ARG A 507 8.539 -13.581 2.697 1.00 0.00 H ATOM 1283 HH12 ARG A 507 5.880 -11.160 4.624 1.00 0.00 H ATOM 1284 HH11 ARG A 507 7.067 -12.114 5.585 1.00 0.00 H ATOM 1285 HH22 ARG A 507 5.869 -11.308 2.341 1.00 0.00 H ATOM 1286 HH21 ARG A 507 7.047 -12.378 1.499 1.00 0.00 H ATOM 1287 HN3 ARG A 507 12.314 -13.571 8.556 1.00 0.00 H ATOM 1288 HN2 ARG A 507 13.612 -12.651 7.960 1.00 0.00 H ATOM 1289 HN1 ARG A 507 13.122 -14.056 7.142 1.00 0.00 H ATOM 1290 N LEU A 508 11.747 -10.049 7.227 1.00 33.82 N ATOM 1291 CA LEU A 508 11.439 -8.818 7.948 1.00 28.28 C ATOM 1292 C LEU A 508 9.983 -8.394 7.806 1.00 24.42 C ATOM 1293 O LEU A 508 9.385 -8.550 6.743 1.00 27.85 O ATOM 1294 CB LEU A 508 12.337 -7.682 7.460 1.00 28.50 C ATOM 1295 CG LEU A 508 13.836 -7.786 7.729 1.00 34.84 C ATOM 1296 CD1 LEU A 508 14.551 -6.619 7.079 1.00 28.77 C ATOM 1297 CD2 LEU A 508 14.110 -7.817 9.221 1.00 33.30 C ATOM 1298 H LEU A 508 12.275 -9.993 6.333 1.00 0.00 H ATOM 1299 N PRO A 509 9.407 -7.843 8.883 1.00 24.54 N ATOM 1300 CA PRO A 509 8.097 -7.208 8.752 1.00 22.12 C ATOM 1301 C PRO A 509 8.266 -5.867 8.052 1.00 21.40 C ATOM 1302 O PRO A 509 9.323 -5.246 8.166 1.00 26.52 O ATOM 1303 CB PRO A 509 7.670 -6.991 10.204 1.00 24.42 C ATOM 1304 CG PRO A 509 8.950 -6.871 10.951 1.00 27.28 C ATOM 1305 CD PRO A 509 9.911 -7.801 10.266 1.00 25.97 C ATOM 1306 N TYR A 510 7.247 -5.437 7.322 1.00 21.42 N ATOM 1307 CA TYR A 510 7.290 -4.132 6.686 1.00 24.44 C ATOM 1308 C TYR A 510 6.177 -3.259 7.236 1.00 19.77 C ATOM 1309 O TYR A 510 5.282 -3.735 7.934 1.00 20.60 O ATOM 1310 CB TYR A 510 7.186 -4.254 5.162 1.00 24.41 C ATOM 1311 CG TYR A 510 5.950 -4.972 4.669 1.00 21.06 C ATOM 1312 CD1 TYR A 510 4.738 -4.307 4.546 1.00 24.26 C ATOM 1313 CD2 TYR A 510 5.997 -6.316 4.318 1.00 30.70 C ATOM 1314 CE1 TYR A 510 3.606 -4.956 4.094 1.00 37.25 C ATOM 1315 CE2 TYR A 510 4.869 -6.975 3.862 1.00 31.47 C ATOM 1316 CZ TYR A 510 3.676 -6.289 3.752 1.00 38.19 C ATOM 1317 OH TYR A 510 2.548 -6.935 3.302 1.00 39.63 O ATOM 1318 HH TYR A 510 1.789 -6.299 3.285 1.00 0.00 H ATOM 1319 H TYR A 510 6.408 -6.040 7.203 1.00 0.00 H ATOM 1320 N LEU A 511 6.232 -1.974 6.917 1.00 18.70 N ATOM 1321 CA LEU A 511 5.198 -1.058 7.365 1.00 18.64 C ATOM 1322 C LEU A 511 3.963 -1.221 6.486 1.00 20.74 C ATOM 1323 O LEU A 511 3.982 -0.858 5.309 1.00 22.96 O ATOM 1324 CB LEU A 511 5.704 0.378 7.312 1.00 20.86 C ATOM 1325 CG LEU A 511 4.790 1.431 7.940 1.00 17.72 C ATOM 1326 CD1 LEU A 511 4.596 1.143 9.421 1.00 19.06 C ATOM 1327 CD2 LEU A 511 5.367 2.825 7.725 1.00 19.32 C ATOM 1328 H LEU A 511 7.022 -1.619 6.341 1.00 0.00 H ATOM 1329 N ARG A 512 2.899 -1.790 7.044 1.00 19.52 N ATOM 1330 CA ARG A 512 1.663 -1.955 6.286 1.00 21.77 C ATOM 1331 C ARG A 512 0.976 -0.616 6.084 1.00 23.52 C ATOM 1332 O ARG A 512 0.598 -0.257 4.970 1.00 25.81 O ATOM 1333 CB ARG A 512 0.714 -2.940 6.970 1.00 22.37 C ATOM 1334 CG ARG A 512 -0.598 -3.119 6.220 1.00 24.63 C ATOM 1335 CD ARG A 512 -1.229 -4.474 6.486 1.00 37.10 C ATOM 1336 NE ARG A 512 -2.280 -4.769 5.516 1.00 43.54 N ATOM 1337 CZ ARG A 512 -2.930 -5.926 5.444 1.00 40.09 C ATOM 1338 NH1 ARG A 512 -2.639 -6.906 6.288 1.00 45.60 N ATOM 1339 NH2 ARG A 512 -3.871 -6.104 4.526 1.00 45.03 N ATOM 1340 HE ARG A 512 -2.537 -4.025 4.837 1.00 0.00 H ATOM 1341 HH12 ARG A 512 -3.149 -7.811 6.230 1.00 0.00 H ATOM 1342 HH11 ARG A 512 -1.901 -6.770 7.008 1.00 0.00 H ATOM 1343 HH22 ARG A 512 -4.379 -7.010 4.471 1.00 0.00 H ATOM 1344 HH21 ARG A 512 -4.101 -5.338 3.862 1.00 0.00 H ATOM 1345 H ARG A 512 2.948 -2.120 8.029 1.00 0.00 H ATOM 1346 N THR A 513 0.819 0.124 7.173 1.00 22.28 N ATOM 1347 CA THR A 513 0.243 1.451 7.093 1.00 22.01 C ATOM 1348 C THR A 513 0.623 2.253 8.324 1.00 18.97 C ATOM 1349 O THR A 513 1.104 1.702 9.315 1.00 19.92 O ATOM 1350 CB THR A 513 -1.291 1.406 6.948 1.00 33.78 C ATOM 1351 OG1 THR A 513 -1.783 2.712 6.620 1.00 40.63 O ATOM 1352 CG2 THR A 513 -1.939 0.926 8.234 1.00 33.07 C ATOM 1353 HG1 THR A 513 -1.380 3.010 5.766 1.00 0.00 H ATOM 1354 H THR A 513 1.113 -0.253 8.097 1.00 0.00 H ATOM 1355 N TRP A 514 0.418 3.559 8.245 1.00 18.68 N ATOM 1356 CA TRP A 514 0.719 4.443 9.352 1.00 17.64 C ATOM 1357 C TRP A 514 -0.151 5.674 9.232 1.00 17.79 C ATOM 1358 O TRP A 514 -0.646 5.990 8.155 1.00 20.88 O ATOM 1359 CB TRP A 514 2.191 4.856 9.325 1.00 17.22 C ATOM 1360 CG TRP A 514 2.521 5.749 8.172 1.00 18.87 C ATOM 1361 CD1 TRP A 514 2.772 5.364 6.889 1.00 20.11 C ATOM 1362 CD2 TRP A 514 2.621 7.178 8.191 1.00 19.62 C ATOM 1363 NE1 TRP A 514 3.028 6.463 6.107 1.00 21.24 N ATOM 1364 CE2 TRP A 514 2.943 7.590 6.882 1.00 20.74 C ATOM 1365 CE3 TRP A 514 2.478 8.149 9.189 1.00 21.13 C ATOM 1366 CZ2 TRP A 514 3.119 8.930 6.541 1.00 23.80 C ATOM 1367 CZ3 TRP A 514 2.653 9.481 8.847 1.00 23.88 C ATOM 1368 CH2 TRP A 514 2.971 9.858 7.535 1.00 24.53 C ATOM 1369 HE1 TRP A 514 3.250 6.443 5.091 1.00 0.00 H ATOM 1370 H TRP A 514 0.031 3.960 7.367 1.00 0.00 H ATOM 1371 N PHE A 515 -0.345 6.364 10.346 1.00 17.38 N ATOM 1372 CA PHE A 515 -0.984 7.666 10.318 1.00 16.52 C ATOM 1373 C PHE A 515 -0.534 8.452 11.534 1.00 19.10 C ATOM 1374 O PHE A 515 0.050 7.894 12.464 1.00 18.11 O ATOM 1375 CB PHE A 515 -2.517 7.555 10.253 1.00 18.98 C ATOM 1376 CG PHE A 515 -3.148 6.921 11.465 1.00 16.85 C ATOM 1377 CD1 PHE A 515 -3.487 7.687 12.573 1.00 18.54 C ATOM 1378 CD2 PHE A 515 -3.437 5.565 11.484 1.00 18.19 C ATOM 1379 CE1 PHE A 515 -4.079 7.108 13.682 1.00 18.57 C ATOM 1380 CE2 PHE A 515 -4.030 4.982 12.594 1.00 19.27 C ATOM 1381 CZ PHE A 515 -4.350 5.754 13.691 1.00 19.61 C ATOM 1382 H PHE A 515 -0.034 5.966 11.255 1.00 0.00 H ATOM 1383 N ARG A 516 -0.789 9.752 11.517 1.00 19.46 N ATOM 1384 CA ARG A 516 -0.451 10.588 12.651 1.00 19.62 C ATOM 1385 C ARG A 516 -1.683 11.291 13.201 1.00 21.64 C ATOM 1386 O ARG A 516 -2.642 11.562 12.476 1.00 21.36 O ATOM 1387 CB ARG A 516 0.625 11.611 12.276 1.00 25.62 C ATOM 1388 CG ARG A 516 0.339 12.419 11.025 1.00 27.25 C ATOM 1389 CD ARG A 516 1.593 13.157 10.590 1.00 28.15 C ATOM 1390 NE ARG A 516 2.231 13.834 11.716 1.00 23.69 N ATOM 1391 CZ ARG A 516 3.543 13.995 11.847 1.00 17.69 C ATOM 1392 NH1 ARG A 516 4.369 13.524 10.921 1.00 20.81 N ATOM 1393 NH2 ARG A 516 4.032 14.625 12.907 1.00 19.97 N ATOM 1394 HE ARG A 516 1.618 14.215 12.464 1.00 0.00 H ATOM 1395 HH12 ARG A 516 5.396 13.652 11.027 1.00 0.00 H ATOM 1396 HH11 ARG A 516 3.990 13.027 10.090 1.00 0.00 H ATOM 1397 HH22 ARG A 516 5.059 14.751 13.009 1.00 0.00 H ATOM 1398 HH21 ARG A 516 3.388 14.993 13.636 1.00 0.00 H ATOM 1399 H ARG A 516 -1.237 10.177 10.680 1.00 0.00 H ATOM 1400 N THR A 517 -1.657 11.551 14.501 1.00 18.15 N ATOM 1401 CA THR A 517 -2.648 12.403 15.139 1.00 17.98 C ATOM 1402 C THR A 517 -1.872 13.582 15.698 1.00 18.61 C ATOM 1403 O THR A 517 -0.659 13.664 15.505 1.00 19.00 O ATOM 1404 CB THR A 517 -3.357 11.670 16.280 1.00 17.77 C ATOM 1405 OG1 THR A 517 -2.418 11.406 17.326 1.00 18.89 O ATOM 1406 CG2 THR A 517 -3.943 10.346 15.791 1.00 19.85 C ATOM 1407 HG1 THR A 517 -2.874 10.932 18.066 1.00 0.00 H ATOM 1408 H THR A 517 -0.904 11.132 15.083 1.00 0.00 H ATOM 1409 N ARG A 518 -2.551 14.497 16.385 1.00 17.46 N ATOM 1410 CA ARG A 518 -1.846 15.599 17.031 1.00 21.53 C ATOM 1411 C ARG A 518 -0.881 15.082 18.091 1.00 16.29 C ATOM 1412 O ARG A 518 0.164 15.684 18.337 1.00 20.21 O ATOM 1413 CB ARG A 518 -2.825 16.584 17.681 1.00 20.49 C ATOM 1414 CG ARG A 518 -3.428 17.603 16.732 1.00 23.59 C ATOM 1415 CD ARG A 518 -3.920 18.830 17.493 1.00 23.96 C ATOM 1416 NE ARG A 518 -4.552 19.797 16.599 1.00 29.44 N ATOM 1417 CZ ARG A 518 -4.692 21.091 16.870 1.00 25.77 C ATOM 1418 NH1 ARG A 518 -4.237 21.585 18.015 1.00 23.24 N ATOM 1419 NH2 ARG A 518 -5.282 21.891 15.993 1.00 26.14 N ATOM 1420 HE ARG A 518 -4.917 19.450 15.689 1.00 0.00 H ATOM 1421 HH12 ARG A 518 -4.348 22.598 18.225 1.00 0.00 H ATOM 1422 HH11 ARG A 518 -3.770 20.959 18.702 1.00 0.00 H ATOM 1423 HH22 ARG A 518 -5.392 22.903 16.204 1.00 0.00 H ATOM 1424 HH21 ARG A 518 -5.635 21.506 15.094 1.00 0.00 H ATOM 1425 H ARG A 518 -3.586 14.427 16.462 1.00 0.00 H ATOM 1426 N SER A 519 -1.232 13.959 18.708 1.00 17.13 N ATOM 1427 CA SER A 519 -0.503 13.483 19.879 1.00 17.87 C ATOM 1428 C SER A 519 0.470 12.335 19.611 1.00 16.86 C ATOM 1429 O SER A 519 1.349 12.076 20.429 1.00 17.93 O ATOM 1430 CB SER A 519 -1.482 13.078 20.982 1.00 24.05 C ATOM 1431 OG SER A 519 -2.247 11.955 20.586 1.00 19.87 O ATOM 1432 HG SER A 519 -2.873 11.710 21.313 1.00 0.00 H ATOM 1433 H SER A 519 -2.040 13.410 18.350 1.00 0.00 H ATOM 1434 N ALA A 520 0.325 11.649 18.482 1.00 16.68 N ATOM 1435 CA ALA A 520 1.095 10.426 18.274 1.00 15.06 C ATOM 1436 C ALA A 520 1.255 10.028 16.814 1.00 16.16 C ATOM 1437 O ALA A 520 0.523 10.491 15.941 1.00 16.13 O ATOM 1438 CB ALA A 520 0.465 9.275 19.062 1.00 18.37 C ATOM 1439 H ALA A 520 -0.334 11.982 17.750 1.00 0.00 H ATOM 1440 N ILE A 521 2.233 9.164 16.560 1.00 15.97 N ATOM 1441 CA ILE A 521 2.330 8.477 15.280 1.00 15.58 C ATOM 1442 C ILE A 521 2.032 6.996 15.507 1.00 15.95 C ATOM 1443 O ILE A 521 2.471 6.397 16.497 1.00 15.13 O ATOM 1444 CB ILE A 521 3.698 8.700 14.585 1.00 16.04 C ATOM 1445 CG1 ILE A 521 3.700 8.083 13.184 1.00 16.46 C ATOM 1446 CG2 ILE A 521 4.845 8.156 15.430 1.00 17.75 C ATOM 1447 CD1 ILE A 521 4.904 8.476 12.340 1.00 20.00 C ATOM 1448 H ILE A 521 2.946 8.974 17.293 1.00 0.00 H ATOM 1449 N ILE A 522 1.248 6.425 14.600 1.00 14.85 N ATOM 1450 CA ILE A 522 0.772 5.057 14.729 1.00 13.46 C ATOM 1451 C ILE A 522 1.338 4.254 13.567 1.00 17.71 C ATOM 1452 O ILE A 522 1.125 4.600 12.407 1.00 17.05 O ATOM 1453 CB ILE A 522 -0.770 4.997 14.711 1.00 14.84 C ATOM 1454 CG1 ILE A 522 -1.362 5.620 15.984 1.00 15.91 C ATOM 1455 CG2 ILE A 522 -1.249 3.553 14.589 1.00 16.82 C ATOM 1456 CD1 ILE A 522 -1.364 7.145 16.034 1.00 18.53 C ATOM 1457 H ILE A 522 0.964 6.977 13.766 1.00 0.00 H ATOM 1458 N LEU A 523 2.077 3.195 13.887 1.00 15.38 N ATOM 1459 CA LEU A 523 2.790 2.406 12.889 1.00 14.78 C ATOM 1460 C LEU A 523 2.344 0.954 12.958 1.00 16.87 C ATOM 1461 O LEU A 523 2.525 0.294 13.979 1.00 17.93 O ATOM 1462 CB LEU A 523 4.293 2.493 13.145 1.00 16.26 C ATOM 1463 CG LEU A 523 4.857 3.914 13.173 1.00 15.96 C ATOM 1464 CD1 LEU A 523 5.985 4.040 14.183 1.00 21.33 C ATOM 1465 CD2 LEU A 523 5.342 4.289 11.791 1.00 17.79 C ATOM 1466 H LEU A 523 2.149 2.919 14.887 1.00 0.00 H ATOM 1467 N HIS A 524 1.766 0.462 11.868 1.00 18.17 N ATOM 1468 CA HIS A 524 1.243 -0.897 11.820 1.00 16.54 C ATOM 1469 C HIS A 524 2.151 -1.779 10.969 1.00 17.52 C ATOM 1470 O HIS A 524 2.286 -1.560 9.765 1.00 18.10 O ATOM 1471 CB HIS A 524 -0.178 -0.885 11.252 1.00 19.38 C ATOM 1472 CG HIS A 524 -0.810 -2.238 11.162 1.00 20.03 C ATOM 1473 ND1 HIS A 524 -1.822 -2.525 10.272 1.00 24.38 N ATOM 1474 CD2 HIS A 524 -0.580 -3.380 11.853 1.00 22.60 C ATOM 1475 CE1 HIS A 524 -2.185 -3.787 10.413 1.00 25.35 C ATOM 1476 NE2 HIS A 524 -1.446 -4.329 11.365 1.00 25.98 N ATOM 1477 H HIS A 524 1.684 1.064 11.024 1.00 0.00 H ATOM 1478 N LEU A 525 2.781 -2.765 11.599 1.00 17.51 N ATOM 1479 CA LEU A 525 3.703 -3.655 10.895 1.00 18.36 C ATOM 1480 C LEU A 525 2.994 -4.889 10.343 1.00 18.35 C ATOM 1481 O LEU A 525 1.946 -5.295 10.844 1.00 21.88 O ATOM 1482 CB LEU A 525 4.864 -4.073 11.802 1.00 17.37 C ATOM 1483 CG LEU A 525 5.717 -2.931 12.364 1.00 21.67 C ATOM 1484 CD1 LEU A 525 6.863 -3.479 13.198 1.00 22.14 C ATOM 1485 CD2 LEU A 525 6.244 -2.044 11.250 1.00 24.13 C ATOM 1486 H LEU A 525 2.614 -2.907 12.616 1.00 0.00 H ATOM 1487 N SER A 526 3.585 -5.483 9.312 1.00 22.04 N ATOM 1488 CA SER A 526 2.976 -6.617 8.621 1.00 19.52 C ATOM 1489 C SER A 526 2.938 -7.887 9.466 1.00 22.97 C ATOM 1490 O SER A 526 2.267 -8.856 9.102 1.00 25.03 O ATOM 1491 CB SER A 526 3.694 -6.884 7.294 1.00 19.44 C ATOM 1492 OG SER A 526 5.055 -7.209 7.508 1.00 20.52 O ATOM 1493 HG SER A 526 5.115 -8.022 8.070 1.00 0.00 H ATOM 1494 H SER A 526 4.508 -5.130 8.987 1.00 0.00 H ATOM 1495 N ASN A 527 3.656 -7.887 10.586 1.00 19.68 N ATOM 1496 CA ASN A 527 3.609 -9.018 11.509 1.00 18.87 C ATOM 1497 C ASN A 527 2.498 -8.879 12.545 1.00 19.07 C ATOM 1498 O ASN A 527 2.400 -9.683 13.471 1.00 20.37 O ATOM 1499 CB ASN A 527 4.962 -9.245 12.191 1.00 19.56 C ATOM 1500 CG ASN A 527 5.387 -8.080 13.072 1.00 19.88 C ATOM 1501 OD1 ASN A 527 4.650 -7.112 13.249 1.00 20.71 O ATOM 1502 ND2 ASN A 527 6.585 -8.177 13.635 1.00 21.69 N ATOM 1503 HD22 ASN A 527 7.176 -9.014 13.458 1.00 0.00 H ATOM 1504 HD21 ASN A 527 6.932 -7.416 14.253 1.00 0.00 H ATOM 1505 H ASN A 527 4.260 -7.070 10.808 1.00 0.00 H ATOM 1506 N GLY A 528 1.670 -7.851 12.387 1.00 20.23 N ATOM 1507 CA GLY A 528 0.541 -7.639 13.271 1.00 20.28 C ATOM 1508 C GLY A 528 0.792 -6.622 14.369 1.00 16.71 C ATOM 1509 O GLY A 528 -0.150 -6.126 14.981 1.00 20.67 O ATOM 1510 H GLY A 528 1.837 -7.181 11.609 1.00 0.00 H ATOM 1511 N SER A 529 2.060 -6.316 14.624 1.00 18.05 N ATOM 1512 CA SER A 529 2.401 -5.355 15.667 1.00 17.01 C ATOM 1513 C SER A 529 1.901 -3.953 15.342 1.00 16.69 C ATOM 1514 O SER A 529 1.883 -3.539 14.183 1.00 18.30 O ATOM 1515 CB SER A 529 3.910 -5.328 15.921 1.00 17.01 C ATOM 1516 OG SER A 529 4.352 -6.538 16.517 1.00 21.55 O ATOM 1517 HG SER A 529 5.329 -6.492 16.669 1.00 0.00 H ATOM 1518 H SER A 529 2.818 -6.767 14.073 1.00 0.00 H ATOM 1519 N VAL A 530 1.480 -3.238 16.378 1.00 15.10 N ATOM 1520 CA VAL A 530 1.120 -1.836 16.247 1.00 15.46 C ATOM 1521 C VAL A 530 1.953 -1.052 17.248 1.00 15.45 C ATOM 1522 O VAL A 530 1.960 -1.364 18.443 1.00 16.49 O ATOM 1523 CB VAL A 530 -0.383 -1.594 16.505 1.00 15.33 C ATOM 1524 CG1 VAL A 530 -0.692 -0.101 16.517 1.00 16.66 C ATOM 1525 CG2 VAL A 530 -1.226 -2.299 15.452 1.00 18.80 C ATOM 1526 H VAL A 530 1.406 -3.694 17.310 1.00 0.00 H ATOM 1527 N GLN A 531 2.685 -0.061 16.751 1.00 16.42 N ATOM 1528 CA GLN A 531 3.506 0.785 17.605 1.00 14.95 C ATOM 1529 C GLN A 531 2.928 2.186 17.645 1.00 13.96 C ATOM 1530 O GLN A 531 2.542 2.734 16.617 1.00 16.05 O ATOM 1531 CB GLN A 531 4.951 0.819 17.107 1.00 16.51 C ATOM 1532 CG GLN A 531 5.890 1.649 17.972 1.00 17.35 C ATOM 1533 CD GLN A 531 7.339 1.499 17.567 1.00 13.89 C ATOM 1534 OE1 GLN A 531 7.742 0.461 17.033 1.00 15.52 O ATOM 1535 NE2 GLN A 531 8.135 2.540 17.803 1.00 15.72 N ATOM 1536 HE22 GLN A 531 7.753 3.395 18.255 1.00 0.00 H ATOM 1537 HE21 GLN A 531 9.139 2.498 17.535 1.00 0.00 H ATOM 1538 H GLN A 531 2.671 0.115 15.726 1.00 0.00 H ATOM 1539 N ILE A 532 2.852 2.750 18.844 1.00 14.74 N ATOM 1540 CA ILE A 532 2.342 4.099 19.021 1.00 14.67 C ATOM 1541 C ILE A 532 3.379 4.929 19.769 1.00 14.34 C ATOM 1542 O ILE A 532 3.724 4.622 20.903 1.00 15.59 O ATOM 1543 CB ILE A 532 1.010 4.099 19.804 1.00 15.27 C ATOM 1544 CG1 ILE A 532 -0.023 3.221 19.096 1.00 17.02 C ATOM 1545 CG2 ILE A 532 0.475 5.524 19.963 1.00 15.38 C ATOM 1546 CD1 ILE A 532 -1.306 3.025 19.878 1.00 21.18 C ATOM 1547 H ILE A 532 3.165 2.213 19.678 1.00 0.00 H ATOM 1548 N ASN A 533 3.887 5.967 19.111 1.00 15.57 N ATOM 1549 CA ASN A 533 4.857 6.873 19.719 1.00 13.77 C ATOM 1550 C ASN A 533 4.177 8.187 20.057 1.00 14.58 C ATOM 1551 O ASN A 533 3.683 8.868 19.162 1.00 15.47 O ATOM 1552 CB ASN A 533 6.002 7.173 18.749 1.00 14.51 C ATOM 1553 CG ASN A 533 6.960 6.008 18.564 1.00 16.55 C ATOM 1554 OD1 ASN A 533 6.670 4.871 18.932 1.00 15.28 O ATOM 1555 ND2 ASN A 533 8.115 6.294 17.973 1.00 17.16 N ATOM 1556 HD22 ASN A 533 8.320 7.270 17.677 1.00 0.00 H ATOM 1557 HD21 ASN A 533 8.814 5.542 17.806 1.00 0.00 H ATOM 1558 H ASN A 533 3.583 6.139 18.131 1.00 0.00 H ATOM 1559 N PHE A 534 4.158 8.552 21.334 1.00 14.75 N ATOM 1560 CA PHE A 534 3.569 9.826 21.745 1.00 14.81 C ATOM 1561 C PHE A 534 4.587 10.956 21.653 1.00 14.56 C ATOM 1562 O PHE A 534 5.682 10.870 22.215 1.00 16.94 O ATOM 1563 CB PHE A 534 2.994 9.722 23.156 1.00 16.88 C ATOM 1564 CG PHE A 534 1.873 8.732 23.279 1.00 15.86 C ATOM 1565 CD1 PHE A 534 2.122 7.439 23.707 1.00 17.91 C ATOM 1566 CD2 PHE A 534 0.572 9.094 22.970 1.00 17.86 C ATOM 1567 CE1 PHE A 534 1.096 6.520 23.823 1.00 19.64 C ATOM 1568 CE2 PHE A 534 -0.461 8.180 23.084 1.00 19.48 C ATOM 1569 CZ PHE A 534 -0.197 6.890 23.509 1.00 21.48 C ATOM 1570 H PHE A 534 4.568 7.922 22.053 1.00 0.00 H ATOM 1571 N PHE A 535 4.217 12.012 20.935 1.00 17.29 N ATOM 1572 CA PHE A 535 5.137 13.101 20.623 1.00 18.29 C ATOM 1573 C PHE A 535 5.586 13.894 21.844 1.00 21.66 C ATOM 1574 O PHE A 535 6.772 14.180 22.003 1.00 24.14 O ATOM 1575 CB PHE A 535 4.492 14.071 19.631 1.00 18.00 C ATOM 1576 CG PHE A 535 4.183 13.466 18.293 1.00 17.96 C ATOM 1577 CD1 PHE A 535 2.984 13.745 17.658 1.00 17.75 C ATOM 1578 CD2 PHE A 535 5.091 12.632 17.662 1.00 24.23 C ATOM 1579 CE1 PHE A 535 2.689 13.204 16.423 1.00 19.06 C ATOM 1580 CE2 PHE A 535 4.802 12.086 16.424 1.00 23.23 C ATOM 1581 CZ PHE A 535 3.599 12.371 15.803 1.00 18.92 C ATOM 1582 H PHE A 535 3.239 12.064 20.584 1.00 0.00 H ATOM 1583 N GLN A 536 4.636 14.259 22.698 1.00 19.61 N ATOM 1584 CA GLN A 536 4.910 15.240 23.743 1.00 24.03 C ATOM 1585 C GLN A 536 5.813 14.708 24.852 1.00 23.64 C ATOM 1586 O GLN A 536 6.726 15.401 25.302 1.00 28.58 O ATOM 1587 CB GLN A 536 3.607 15.771 24.343 1.00 27.28 C ATOM 1588 CG GLN A 536 3.784 17.064 25.119 1.00 30.42 C ATOM 1589 CD GLN A 536 4.206 18.217 24.227 1.00 52.17 C ATOM 1590 OE1 GLN A 536 3.768 18.321 23.081 1.00 51.54 O ATOM 1591 NE2 GLN A 536 5.066 19.086 24.748 1.00 65.00 N ATOM 1592 HE22 GLN A 536 5.409 18.958 25.721 1.00 0.00 H ATOM 1593 HE21 GLN A 536 5.396 19.894 24.182 1.00 0.00 H ATOM 1594 H GLN A 536 3.687 13.841 22.621 1.00 0.00 H ATOM 1595 N ASP A 537 5.563 13.478 25.288 1.00 18.74 N ATOM 1596 CA ASP A 537 6.301 12.916 26.415 1.00 18.46 C ATOM 1597 C ASP A 537 7.275 11.802 26.027 1.00 16.63 C ATOM 1598 O ASP A 537 7.959 11.256 26.889 1.00 18.54 O ATOM 1599 CB ASP A 537 5.342 12.433 27.507 1.00 17.71 C ATOM 1600 CG ASP A 537 4.348 11.395 27.006 1.00 24.66 C ATOM 1601 OD1 ASP A 537 4.644 10.699 26.013 1.00 20.98 O ATOM 1602 OD2 ASP A 537 3.266 11.273 27.617 1.00 26.67 O ATOM 1603 H ASP A 537 4.831 12.907 24.819 1.00 0.00 H ATOM 1604 N HIS A 538 7.316 11.471 24.738 1.00 17.31 N ATOM 1605 CA HIS A 538 8.246 10.473 24.200 1.00 17.36 C ATOM 1606 C HIS A 538 8.005 9.053 24.703 1.00 17.53 C ATOM 1607 O HIS A 538 8.864 8.185 24.560 1.00 17.53 O ATOM 1608 CB HIS A 538 9.698 10.890 24.450 1.00 17.26 C ATOM 1609 CG HIS A 538 9.996 12.288 24.012 1.00 16.76 C ATOM 1610 ND1 HIS A 538 10.095 12.642 22.685 1.00 16.98 N ATOM 1611 CD2 HIS A 538 10.186 13.424 24.723 1.00 21.27 C ATOM 1612 CE1 HIS A 538 10.349 13.937 22.597 1.00 19.64 C ATOM 1613 NE2 HIS A 538 10.411 14.433 23.818 1.00 20.27 N ATOM 1614 H HIS A 538 6.659 11.941 24.083 1.00 0.00 H ATOM 1615 N THR A 539 6.835 8.813 25.283 1.00 16.49 N ATOM 1616 CA THR A 539 6.478 7.465 25.703 1.00 15.58 C ATOM 1617 C THR A 539 5.987 6.677 24.494 1.00 15.20 C ATOM 1618 O THR A 539 5.506 7.255 23.517 1.00 15.58 O ATOM 1619 CB THR A 539 5.418 7.468 26.824 1.00 16.43 C ATOM 1620 OG1 THR A 539 4.191 8.028 26.342 1.00 17.76 O ATOM 1621 CG2 THR A 539 5.909 8.282 28.011 1.00 17.25 C ATOM 1622 HG1 THR A 539 4.349 8.958 26.042 1.00 0.00 H ATOM 1623 H THR A 539 6.167 9.595 25.439 1.00 0.00 H ATOM 1624 N LYS A 540 6.131 5.356 24.548 1.00 14.67 N ATOM 1625 CA LYS A 540 5.804 4.511 23.403 1.00 15.53 C ATOM 1626 C LYS A 540 5.142 3.207 23.823 1.00 14.77 C ATOM 1627 O LYS A 540 5.431 2.668 24.889 1.00 16.15 O ATOM 1628 CB LYS A 540 7.067 4.197 22.591 1.00 15.98 C ATOM 1629 CG LYS A 540 7.849 5.433 22.151 1.00 16.00 C ATOM 1630 CD LYS A 540 9.147 5.079 21.437 1.00 16.13 C ATOM 1631 CE LYS A 540 9.909 6.331 21.026 1.00 16.43 C ATOM 1632 NZ LYS A 540 10.299 7.135 22.218 1.00 18.51 N ATOM 1633 HZ1 LYS A 540 9.444 7.420 22.737 1.00 0.00 H ATOM 1634 HZ2 LYS A 540 10.907 6.562 22.837 1.00 0.00 H ATOM 1635 HZ3 LYS A 540 10.817 7.982 21.909 1.00 0.00 H ATOM 1636 H LYS A 540 6.483 4.917 25.422 1.00 0.00 H ATOM 1637 N LEU A 541 4.259 2.704 22.966 1.00 14.79 N ATOM 1638 CA LEU A 541 3.685 1.374 23.130 1.00 13.92 C ATOM 1639 C LEU A 541 4.039 0.524 21.929 1.00 15.39 C ATOM 1640 O LEU A 541 3.948 0.989 20.797 1.00 16.04 O ATOM 1641 CB LEU A 541 2.163 1.451 23.212 1.00 16.69 C ATOM 1642 CG LEU A 541 1.557 2.204 24.392 1.00 16.98 C ATOM 1643 CD1 LEU A 541 0.047 2.304 24.215 1.00 20.94 C ATOM 1644 CD2 LEU A 541 1.894 1.518 25.701 1.00 19.81 C ATOM 1645 H LEU A 541 3.968 3.279 22.150 1.00 0.00 H ATOM 1646 N ILE A 542 4.433 -0.721 22.178 1.00 14.69 N ATOM 1647 CA ILE A 542 4.563 -1.709 21.114 1.00 15.93 C ATOM 1648 C ILE A 542 3.617 -2.854 21.437 1.00 15.46 C ATOM 1649 O ILE A 542 3.825 -3.591 22.402 1.00 16.58 O ATOM 1650 CB ILE A 542 6.002 -2.234 20.983 1.00 14.83 C ATOM 1651 CG1 ILE A 542 6.981 -1.069 20.811 1.00 17.70 C ATOM 1652 CG2 ILE A 542 6.103 -3.197 19.809 1.00 18.32 C ATOM 1653 CD1 ILE A 542 8.392 -1.405 21.248 1.00 18.79 C ATOM 1654 H ILE A 542 4.654 -0.997 23.156 1.00 0.00 H ATOM 1655 N LEU A 543 2.564 -2.976 20.635 1.00 16.09 N ATOM 1656 CA LEU A 543 1.526 -3.977 20.853 1.00 15.19 C ATOM 1657 C LEU A 543 1.689 -5.141 19.888 1.00 15.58 C ATOM 1658 O LEU A 543 1.816 -4.938 18.685 1.00 18.18 O ATOM 1659 CB LEU A 543 0.151 -3.346 20.650 1.00 17.39 C ATOM 1660 CG LEU A 543 -0.265 -2.304 21.686 1.00 19.90 C ATOM 1661 CD1 LEU A 543 -1.169 -1.260 21.055 1.00 25.57 C ATOM 1662 CD2 LEU A 543 -0.970 -2.986 22.840 1.00 24.82 C ATOM 1663 H LEU A 543 2.477 -2.334 19.822 1.00 0.00 H ATOM 1664 N CYS A 544 1.682 -6.361 20.411 1.00 17.05 N ATOM 1665 CA CYS A 544 1.728 -7.538 19.552 1.00 19.30 C ATOM 1666 C CYS A 544 0.560 -8.462 19.850 1.00 16.51 C ATOM 1667 O CYS A 544 0.399 -8.913 20.983 1.00 17.90 O ATOM 1668 CB CYS A 544 3.043 -8.290 19.719 1.00 15.88 C ATOM 1669 SG CYS A 544 3.046 -9.883 18.857 1.00 20.65 S ATOM 1670 H CYS A 544 1.643 -6.478 21.444 1.00 0.00 H ATOM 1671 N PRO A 545 -0.260 -8.750 18.830 1.00 17.13 N ATOM 1672 CA PRO A 545 -1.446 -9.590 19.014 1.00 20.66 C ATOM 1673 C PRO A 545 -1.107 -11.078 19.082 1.00 21.54 C ATOM 1674 O PRO A 545 -1.937 -11.859 19.539 1.00 23.36 O ATOM 1675 CB PRO A 545 -2.274 -9.291 17.765 1.00 21.55 C ATOM 1676 CG PRO A 545 -1.254 -8.985 16.717 1.00 19.23 C ATOM 1677 CD PRO A 545 -0.098 -8.319 17.429 1.00 18.62 C ATOM 1678 N LEU A 546 0.094 -11.455 18.653 1.00 18.85 N ATOM 1679 CA LEU A 546 0.505 -12.857 18.676 1.00 20.53 C ATOM 1680 C LEU A 546 0.906 -13.237 20.094 1.00 25.46 C ATOM 1681 O LEU A 546 0.518 -14.289 20.607 1.00 25.77 O ATOM 1682 CB LEU A 546 1.666 -13.094 17.712 1.00 23.15 C ATOM 1683 CG LEU A 546 1.400 -12.703 16.255 1.00 30.89 C ATOM 1684 CD1 LEU A 546 2.600 -13.022 15.375 1.00 32.96 C ATOM 1685 CD2 LEU A 546 0.150 -13.394 15.732 1.00 43.95 C ATOM 1686 H LEU A 546 0.755 -10.737 18.294 1.00 0.00 H ATOM 1687 N MET A 547 1.681 -12.361 20.727 1.00 22.50 N ATOM 1688 CA MET A 547 2.067 -12.528 22.122 1.00 23.90 C ATOM 1689 C MET A 547 0.960 -12.055 23.057 1.00 20.56 C ATOM 1690 O MET A 547 0.989 -12.352 24.253 1.00 22.80 O ATOM 1691 CB MET A 547 3.342 -11.736 22.419 1.00 24.91 C ATOM 1692 CG MET A 547 4.591 -12.245 21.722 1.00 21.98 C ATOM 1693 SD MET A 547 5.149 -13.824 22.389 1.00 35.00 S ATOM 1694 CE MET A 547 4.503 -14.967 21.171 1.00 34.99 C ATOM 1695 H MET A 547 2.024 -11.527 20.208 1.00 0.00 H ATOM 1696 N ALA A 548 -0.009 -11.325 22.501 1.00 19.67 N ATOM 1697 CA ALA A 548 -1.036 -10.640 23.290 1.00 18.57 C ATOM 1698 C ALA A 548 -0.368 -9.837 24.398 1.00 20.30 C ATOM 1699 O ALA A 548 -0.702 -9.961 25.577 1.00 19.31 O ATOM 1700 CB ALA A 548 -2.047 -11.623 23.855 1.00 22.25 C ATOM 1701 H ALA A 548 -0.036 -11.239 21.465 1.00 0.00 H ATOM 1702 N ALA A 549 0.593 -9.015 23.996 1.00 18.19 N ATOM 1703 CA ALA A 549 1.440 -8.307 24.937 1.00 16.57 C ATOM 1704 C ALA A 549 1.599 -6.851 24.543 1.00 17.03 C ATOM 1705 O ALA A 549 1.350 -6.476 23.397 1.00 16.91 O ATOM 1706 CB ALA A 549 2.810 -8.978 25.020 1.00 18.76 C ATOM 1707 H ALA A 549 0.743 -8.874 22.977 1.00 0.00 H ATOM 1708 N VAL A 550 2.018 -6.037 25.504 1.00 17.60 N ATOM 1709 CA VAL A 550 2.353 -4.650 25.232 1.00 16.41 C ATOM 1710 C VAL A 550 3.680 -4.291 25.895 1.00 15.86 C ATOM 1711 O VAL A 550 3.921 -4.626 27.057 1.00 16.44 O ATOM 1712 CB VAL A 550 1.233 -3.684 25.689 1.00 16.70 C ATOM 1713 CG1 VAL A 550 0.978 -3.798 27.190 1.00 19.81 C ATOM 1714 CG2 VAL A 550 1.580 -2.246 25.309 1.00 17.27 C ATOM 1715 H VAL A 550 2.109 -6.401 26.474 1.00 0.00 H ATOM 1716 N THR A 551 4.551 -3.637 25.137 1.00 15.19 N ATOM 1717 CA THR A 551 5.783 -3.114 25.693 1.00 16.72 C ATOM 1718 C THR A 551 5.625 -1.616 25.864 1.00 16.21 C ATOM 1719 O THR A 551 5.276 -0.908 24.920 1.00 16.55 O ATOM 1720 CB THR A 551 6.993 -3.421 24.800 1.00 18.07 C ATOM 1721 OG1 THR A 551 7.152 -4.841 24.698 1.00 18.59 O ATOM 1722 CG2 THR A 551 8.262 -2.823 25.394 1.00 18.91 C ATOM 1723 HG1 THR A 551 6.336 -5.236 24.301 1.00 0.00 H ATOM 1724 H THR A 551 4.346 -3.497 24.127 1.00 0.00 H ATOM 1725 N TYR A 552 5.860 -1.143 27.082 1.00 16.07 N ATOM 1726 CA TYR A 552 5.739 0.273 27.386 1.00 16.96 C ATOM 1727 C TYR A 552 7.110 0.874 27.644 1.00 15.97 C ATOM 1728 O TYR A 552 7.860 0.393 28.490 1.00 17.01 O ATOM 1729 CB TYR A 552 4.831 0.482 28.598 1.00 16.78 C ATOM 1730 CG TYR A 552 4.613 1.938 28.961 1.00 17.08 C ATOM 1731 CD1 TYR A 552 4.221 2.859 28.001 1.00 21.53 C ATOM 1732 CD2 TYR A 552 4.781 2.384 30.267 1.00 20.00 C ATOM 1733 CE1 TYR A 552 4.018 4.185 28.321 1.00 24.98 C ATOM 1734 CE2 TYR A 552 4.575 3.716 30.599 1.00 23.28 C ATOM 1735 CZ TYR A 552 4.192 4.608 29.618 1.00 21.28 C ATOM 1736 OH TYR A 552 3.980 5.935 29.927 1.00 27.43 O ATOM 1737 HH TYR A 552 4.814 6.326 30.289 1.00 0.00 H ATOM 1738 H TYR A 552 6.138 -1.802 27.837 1.00 0.00 H ATOM 1739 N ILE A 553 7.439 1.912 26.886 1.00 16.31 N ATOM 1740 CA ILE A 553 8.664 2.666 27.096 1.00 17.97 C ATOM 1741 C ILE A 553 8.274 4.004 27.703 1.00 17.93 C ATOM 1742 O ILE A 553 7.523 4.769 27.093 1.00 16.62 O ATOM 1743 CB ILE A 553 9.410 2.887 25.773 1.00 16.13 C ATOM 1744 CG1 ILE A 553 9.795 1.541 25.153 1.00 18.54 C ATOM 1745 CG2 ILE A 553 10.642 3.753 25.988 1.00 20.42 C ATOM 1746 CD1 ILE A 553 10.351 1.655 23.756 1.00 16.13 C ATOM 1747 H ILE A 553 6.800 2.196 26.116 1.00 0.00 H ATOM 1748 N ASP A 554 8.760 4.279 28.911 1.00 18.07 N ATOM 1749 CA ASP A 554 8.376 5.509 29.602 1.00 18.77 C ATOM 1750 C ASP A 554 9.302 6.690 29.314 1.00 18.24 C ATOM 1751 O ASP A 554 10.196 6.605 28.466 1.00 18.59 O ATOM 1752 CB ASP A 554 8.205 5.286 31.116 1.00 21.26 C ATOM 1753 CG ASP A 554 9.501 4.905 31.820 1.00 26.05 C ATOM 1754 OD1 ASP A 554 10.600 5.172 31.289 1.00 21.58 O ATOM 1755 OD2 ASP A 554 9.414 4.337 32.932 1.00 27.50 O ATOM 1756 H ASP A 554 9.417 3.614 29.367 1.00 0.00 H ATOM 1757 N GLU A 555 9.078 7.781 30.041 1.00 19.14 N ATOM 1758 CA GLU A 555 9.809 9.026 29.833 1.00 18.40 C ATOM 1759 C GLU A 555 11.302 8.905 30.126 1.00 23.48 C ATOM 1760 O GLU A 555 12.102 9.702 29.637 1.00 26.60 O ATOM 1761 CB GLU A 555 9.209 10.141 30.694 1.00 21.49 C ATOM 1762 CG GLU A 555 7.786 10.532 30.324 1.00 26.92 C ATOM 1763 CD GLU A 555 6.731 9.752 31.092 1.00 37.86 C ATOM 1764 OE1 GLU A 555 7.035 8.647 31.595 1.00 26.60 O ATOM 1765 OE2 GLU A 555 5.589 10.254 31.193 1.00 30.05 O ATOM 1766 H GLU A 555 8.354 7.745 30.786 1.00 0.00 H ATOM 1767 N LYS A 556 11.670 7.914 30.929 1.00 22.38 N ATOM 1768 CA LYS A 556 13.063 7.703 31.303 1.00 23.69 C ATOM 1769 C LYS A 556 13.717 6.664 30.398 1.00 25.71 C ATOM 1770 O LYS A 556 14.866 6.273 30.616 1.00 25.60 O ATOM 1771 CB LYS A 556 13.145 7.254 32.765 1.00 26.04 C ATOM 1772 CG LYS A 556 12.427 8.182 33.734 1.00 31.89 C ATOM 1773 CD LYS A 556 12.266 7.557 35.121 1.00 40.85 C ATOM 1774 CE LYS A 556 11.184 6.481 35.149 1.00 43.74 C ATOM 1775 NZ LYS A 556 11.692 5.122 34.800 1.00 46.78 N ATOM 1776 HZ1 LYS A 556 12.092 5.139 33.840 1.00 0.00 H ATOM 1777 HZ2 LYS A 556 12.429 4.844 35.479 1.00 0.00 H ATOM 1778 HZ3 LYS A 556 10.908 4.440 34.838 1.00 0.00 H ATOM 1779 H LYS A 556 10.944 7.270 31.302 1.00 0.00 H ATOM 1780 N ARG A 557 12.969 6.229 29.384 1.00 20.87 N ATOM 1781 CA ARG A 557 13.373 5.162 28.460 1.00 22.77 C ATOM 1782 C ARG A 557 13.471 3.792 29.123 1.00 20.72 C ATOM 1783 O ARG A 557 14.041 2.860 28.562 1.00 24.01 O ATOM 1784 CB ARG A 557 14.663 5.504 27.705 1.00 23.48 C ATOM 1785 CG ARG A 557 14.537 6.733 26.833 1.00 20.17 C ATOM 1786 CD ARG A 557 15.725 6.890 25.906 1.00 26.52 C ATOM 1787 NE ARG A 557 15.677 8.176 25.222 1.00 22.57 N ATOM 1788 CZ ARG A 557 16.359 9.249 25.607 1.00 20.63 C ATOM 1789 NH1 ARG A 557 17.160 9.184 26.661 1.00 27.85 N ATOM 1790 NH2 ARG A 557 16.248 10.383 24.931 1.00 20.10 N ATOM 1791 HE ARG A 557 15.071 8.259 24.381 1.00 0.00 H ATOM 1792 HH12 ARG A 557 17.693 10.025 26.961 1.00 0.00 H ATOM 1793 HH11 ARG A 557 17.255 8.292 27.188 1.00 0.00 H ATOM 1794 HH22 ARG A 557 16.782 11.223 25.233 1.00 0.00 H ATOM 1795 HH21 ARG A 557 15.627 10.433 24.098 1.00 0.00 H ATOM 1796 H ARG A 557 12.040 6.674 29.238 1.00 0.00 H ATOM 1797 N ASP A 558 12.911 3.674 30.320 1.00 21.79 N ATOM 1798 CA ASP A 558 12.804 2.374 30.955 1.00 22.20 C ATOM 1799 C ASP A 558 11.706 1.605 30.245 1.00 23.48 C ATOM 1800 O ASP A 558 10.746 2.192 29.746 1.00 23.62 O ATOM 1801 CB ASP A 558 12.498 2.513 32.447 1.00 25.81 C ATOM 1802 CG ASP A 558 13.690 3.018 33.239 1.00 37.57 C ATOM 1803 OD1 ASP A 558 14.836 2.728 32.837 1.00 34.17 O ATOM 1804 OD2 ASP A 558 13.482 3.705 34.260 1.00 50.32 O ATOM 1805 H ASP A 558 12.547 4.518 30.806 1.00 0.00 H ATOM 1806 N PHE A 559 11.847 0.290 30.180 1.00 25.31 N ATOM 1807 CA PHE A 559 10.881 -0.495 29.438 1.00 23.94 C ATOM 1808 C PHE A 559 10.420 -1.712 30.217 1.00 26.62 C ATOM 1809 O PHE A 559 11.165 -2.279 31.018 1.00 25.21 O ATOM 1810 CB PHE A 559 11.452 -0.918 28.084 1.00 21.36 C ATOM 1811 CG PHE A 559 12.555 -1.933 28.180 1.00 24.44 C ATOM 1812 CD1 PHE A 559 12.293 -3.282 28.002 1.00 30.63 C ATOM 1813 CD2 PHE A 559 13.857 -1.538 28.444 1.00 30.46 C ATOM 1814 CE1 PHE A 559 13.306 -4.218 28.087 1.00 33.34 C ATOM 1815 CE2 PHE A 559 14.874 -2.469 28.531 1.00 29.77 C ATOM 1816 CZ PHE A 559 14.598 -3.810 28.352 1.00 29.23 C ATOM 1817 H PHE A 559 12.645 -0.176 30.658 1.00 0.00 H ATOM 1818 N ARG A 560 9.172 -2.090 29.978 1.00 24.06 N ATOM 1819 CA ARG A 560 8.622 -3.324 30.505 1.00 23.63 C ATOM 1820 C ARG A 560 7.718 -3.917 29.441 1.00 18.94 C ATOM 1821 O ARG A 560 7.066 -3.186 28.690 1.00 19.86 O ATOM 1822 CB ARG A 560 7.814 -3.071 31.781 1.00 25.74 C ATOM 1823 CG ARG A 560 8.633 -2.676 33.000 1.00 31.53 C ATOM 1824 CD ARG A 560 9.617 -3.768 33.387 1.00 34.21 C ATOM 1825 NE ARG A 560 10.166 -3.555 34.724 1.00 38.91 N ATOM 1826 CZ ARG A 560 11.180 -2.740 34.995 1.00 45.71 C ATOM 1827 NH1 ARG A 560 11.759 -2.052 34.020 1.00 36.46 N ATOM 1828 NH2 ARG A 560 11.612 -2.610 36.242 1.00 40.73 N ATOM 1829 HE ARG A 560 9.735 -4.075 35.515 1.00 0.00 H ATOM 1830 HH12 ARG A 560 12.552 -1.415 34.234 1.00 0.00 H ATOM 1831 HH11 ARG A 560 11.420 -2.150 33.042 1.00 0.00 H ATOM 1832 HH22 ARG A 560 12.406 -1.972 36.454 1.00 0.00 H ATOM 1833 HH21 ARG A 560 11.157 -3.146 37.008 1.00 0.00 H ATOM 1834 H ARG A 560 8.566 -1.480 29.392 1.00 0.00 H ATOM 1835 N THR A 561 7.692 -5.242 29.370 1.00 19.90 N ATOM 1836 CA THR A 561 6.739 -5.934 28.519 1.00 17.94 C ATOM 1837 C THR A 561 5.729 -6.638 29.409 1.00 17.80 C ATOM 1838 O THR A 561 6.104 -7.357 30.339 1.00 18.63 O ATOM 1839 CB THR A 561 7.426 -6.958 27.601 1.00 21.02 C ATOM 1840 OG1 THR A 561 8.362 -6.283 26.754 1.00 20.67 O ATOM 1841 CG2 THR A 561 6.397 -7.668 26.736 1.00 20.97 C ATOM 1842 HG1 THR A 561 7.884 -5.613 26.204 1.00 0.00 H ATOM 1843 H THR A 561 8.367 -5.796 29.935 1.00 0.00 H ATOM 1844 N TYR A 562 4.449 -6.417 29.129 1.00 17.56 N ATOM 1845 CA TYR A 562 3.378 -6.998 29.925 1.00 17.31 C ATOM 1846 C TYR A 562 2.515 -7.906 29.072 1.00 18.58 C ATOM 1847 O TYR A 562 2.265 -7.616 27.906 1.00 20.47 O ATOM 1848 CB TYR A 562 2.484 -5.900 30.494 1.00 18.29 C ATOM 1849 CG TYR A 562 3.205 -4.877 31.329 1.00 17.20 C ATOM 1850 CD1 TYR A 562 3.617 -3.671 30.779 1.00 19.37 C ATOM 1851 CD2 TYR A 562 3.464 -5.110 32.672 1.00 17.20 C ATOM 1852 CE1 TYR A 562 4.272 -2.729 31.541 1.00 23.00 C ATOM 1853 CE2 TYR A 562 4.118 -4.170 33.446 1.00 20.60 C ATOM 1854 CZ TYR A 562 4.520 -2.983 32.875 1.00 23.61 C ATOM 1855 OH TYR A 562 5.173 -2.043 33.636 1.00 24.12 O ATOM 1856 HH TYR A 562 6.009 -2.433 33.994 1.00 0.00 H ATOM 1857 H TYR A 562 4.206 -5.812 28.319 1.00 0.00 H ATOM 1858 N ARG A 563 2.052 -9.002 29.659 1.00 19.46 N ATOM 1859 CA ARG A 563 0.994 -9.780 29.042 1.00 18.72 C ATOM 1860 C ARG A 563 -0.318 -9.072 29.326 1.00 19.31 C ATOM 1861 O ARG A 563 -0.619 -8.765 30.479 1.00 20.43 O ATOM 1862 CB ARG A 563 0.942 -11.186 29.632 1.00 22.65 C ATOM 1863 CG ARG A 563 2.016 -12.120 29.124 1.00 20.94 C ATOM 1864 CD ARG A 563 1.928 -13.457 29.833 1.00 35.74 C ATOM 1865 NE ARG A 563 0.589 -14.032 29.750 1.00 26.83 N ATOM 1866 CZ ARG A 563 0.148 -15.007 30.538 1.00 26.74 C ATOM 1867 NH1 ARG A 563 0.940 -15.515 31.473 1.00 28.79 N ATOM 1868 NH2 ARG A 563 -1.085 -15.473 30.394 1.00 34.38 N ATOM 1869 HE ARG A 563 -0.060 -13.655 29.030 1.00 0.00 H ATOM 1870 HH12 ARG A 563 0.594 -16.278 32.089 1.00 0.00 H ATOM 1871 HH11 ARG A 563 1.907 -15.150 31.590 1.00 0.00 H ATOM 1872 HH22 ARG A 563 -1.428 -16.236 31.012 1.00 0.00 H ATOM 1873 HH21 ARG A 563 -1.709 -15.075 29.663 1.00 0.00 H ATOM 1874 H ARG A 563 2.451 -9.306 30.570 1.00 0.00 H ATOM 1875 N LEU A 564 -1.095 -8.797 28.282 1.00 18.61 N ATOM 1876 CA LEU A 564 -2.331 -8.040 28.445 1.00 18.93 C ATOM 1877 C LEU A 564 -3.303 -8.721 29.408 1.00 20.10 C ATOM 1878 O LEU A 564 -3.945 -8.059 30.227 1.00 18.73 O ATOM 1879 CB LEU A 564 -2.982 -7.772 27.081 1.00 17.96 C ATOM 1880 CG LEU A 564 -2.209 -6.789 26.196 1.00 18.31 C ATOM 1881 CD1 LEU A 564 -2.719 -6.828 24.760 1.00 20.76 C ATOM 1882 CD2 LEU A 564 -2.306 -5.378 26.756 1.00 22.78 C ATOM 1883 H LEU A 564 -0.817 -9.127 27.336 1.00 0.00 H ATOM 1884 N SER A 565 -3.391 -10.045 29.327 1.00 20.55 N ATOM 1885 CA SER A 565 -4.269 -10.788 30.227 1.00 21.29 C ATOM 1886 C SER A 565 -3.810 -10.656 31.678 1.00 20.17 C ATOM 1887 O SER A 565 -4.626 -10.690 32.599 1.00 21.78 O ATOM 1888 CB SER A 565 -4.371 -12.260 29.815 1.00 22.76 C ATOM 1889 OG SER A 565 -3.135 -12.933 29.970 1.00 25.20 O ATOM 1890 HG SER A 565 -2.855 -12.893 30.919 1.00 0.00 H ATOM 1891 H SER A 565 -2.830 -10.556 28.616 1.00 0.00 H ATOM 1892 N LEU A 566 -2.506 -10.492 31.879 1.00 19.95 N ATOM 1893 CA LEU A 566 -1.976 -10.315 33.227 1.00 20.01 C ATOM 1894 C LEU A 566 -2.226 -8.907 33.765 1.00 21.65 C ATOM 1895 O LEU A 566 -2.313 -8.711 34.972 1.00 20.76 O ATOM 1896 CB LEU A 566 -0.490 -10.672 33.289 1.00 23.45 C ATOM 1897 CG LEU A 566 -0.153 -12.154 33.101 1.00 23.04 C ATOM 1898 CD1 LEU A 566 1.326 -12.406 33.339 1.00 23.51 C ATOM 1899 CD2 LEU A 566 -1.004 -13.014 34.025 1.00 28.18 C ATOM 1900 H LEU A 566 -1.857 -10.490 31.067 1.00 0.00 H ATOM 1901 N LEU A 567 -2.351 -7.926 32.875 1.00 20.13 N ATOM 1902 CA LEU A 567 -2.760 -6.595 33.311 1.00 18.89 C ATOM 1903 C LEU A 567 -4.201 -6.626 33.818 1.00 19.71 C ATOM 1904 O LEU A 567 -4.551 -5.920 34.761 1.00 20.90 O ATOM 1905 CB LEU A 567 -2.585 -5.564 32.189 1.00 18.39 C ATOM 1906 CG LEU A 567 -1.133 -5.234 31.839 1.00 17.99 C ATOM 1907 CD1 LEU A 567 -1.066 -4.349 30.600 1.00 21.04 C ATOM 1908 CD2 LEU A 567 -0.423 -4.562 33.011 1.00 19.53 C ATOM 1909 H LEU A 567 -2.157 -8.108 31.869 1.00 0.00 H ATOM 1910 N GLU A 568 -5.032 -7.460 33.196 1.00 21.30 N ATOM 1911 CA GLU A 568 -6.391 -7.675 33.680 1.00 20.32 C ATOM 1912 C GLU A 568 -6.350 -8.289 35.067 1.00 17.76 C ATOM 1913 O GLU A 568 -7.160 -7.958 35.934 1.00 21.62 O ATOM 1914 CB GLU A 568 -7.157 -8.620 32.756 1.00 23.12 C ATOM 1915 CG GLU A 568 -7.231 -8.176 31.320 1.00 24.53 C ATOM 1916 CD GLU A 568 -8.094 -9.093 30.481 1.00 30.17 C ATOM 1917 OE1 GLU A 568 -7.854 -9.181 29.259 1.00 34.38 O ATOM 1918 OE2 GLU A 568 -9.013 -9.722 31.046 1.00 38.45 O ATOM 1919 H GLU A 568 -4.706 -7.968 32.349 1.00 0.00 H ATOM 1920 N GLU A 569 -5.390 -9.185 35.268 1.00 17.68 N ATOM 1921 CA GLU A 569 -5.285 -9.939 36.508 1.00 19.49 C ATOM 1922 C GLU A 569 -4.714 -9.120 37.658 1.00 20.47 C ATOM 1923 O GLU A 569 -5.149 -9.257 38.803 1.00 21.76 O ATOM 1924 CB GLU A 569 -4.425 -11.188 36.288 1.00 19.87 C ATOM 1925 CG GLU A 569 -4.388 -12.153 37.468 1.00 20.04 C ATOM 1926 CD GLU A 569 -5.612 -13.047 37.544 1.00 23.71 C ATOM 1927 OE1 GLU A 569 -5.523 -14.104 38.198 1.00 23.61 O ATOM 1928 OE2 GLU A 569 -6.658 -12.702 36.956 1.00 31.28 O ATOM 1929 H GLU A 569 -4.692 -9.353 34.516 1.00 0.00 H ATOM 1930 N TYR A 570 -3.744 -8.264 37.356 1.00 18.53 N ATOM 1931 CA TYR A 570 -2.995 -7.585 38.411 1.00 18.46 C ATOM 1932 C TYR A 570 -3.141 -6.070 38.417 1.00 21.09 C ATOM 1933 O TYR A 570 -2.761 -5.414 39.387 1.00 21.38 O ATOM 1934 CB TYR A 570 -1.514 -7.967 38.340 1.00 18.65 C ATOM 1935 CG TYR A 570 -1.274 -9.442 38.542 1.00 17.98 C ATOM 1936 CD1 TYR A 570 -0.755 -10.227 37.523 1.00 20.72 C ATOM 1937 CD2 TYR A 570 -1.593 -10.055 39.747 1.00 23.52 C ATOM 1938 CE1 TYR A 570 -0.541 -11.582 37.703 1.00 23.43 C ATOM 1939 CE2 TYR A 570 -1.384 -11.409 39.936 1.00 22.39 C ATOM 1940 CZ TYR A 570 -0.860 -12.165 38.911 1.00 22.31 C ATOM 1941 OH TYR A 570 -0.651 -13.514 39.098 1.00 29.54 O ATOM 1942 HH TYR A 570 -0.273 -13.906 38.271 1.00 0.00 H ATOM 1943 H TYR A 570 -3.516 -8.075 36.359 1.00 0.00 H ATOM 1944 N GLY A 571 -3.688 -5.518 37.340 1.00 18.48 N ATOM 1945 CA GLY A 571 -3.891 -4.084 37.244 1.00 23.42 C ATOM 1946 C GLY A 571 -2.655 -3.342 36.773 1.00 20.86 C ATOM 1947 O GLY A 571 -1.600 -3.941 36.555 1.00 20.86 O ATOM 1948 H GLY A 571 -3.977 -6.127 36.548 1.00 0.00 H ATOM 1949 N CYS A 572 -2.789 -2.031 36.611 1.00 19.66 N ATOM 1950 CA CYS A 572 -1.661 -1.184 36.235 1.00 22.51 C ATOM 1951 C CYS A 572 -1.923 0.257 36.641 1.00 26.59 C ATOM 1952 O CYS A 572 -3.031 0.604 37.045 1.00 20.70 O ATOM 1953 CB CYS A 572 -1.374 -1.273 34.732 1.00 23.10 C ATOM 1954 SG CYS A 572 -2.656 -0.584 33.660 1.00 22.88 S ATOM 1955 H CYS A 572 -3.722 -1.596 36.756 1.00 0.00 H ATOM 1956 N CYS A 573 -0.896 1.092 36.535 1.00 21.44 N ATOM 1957 CA CYS A 573 -1.022 2.498 36.893 1.00 22.37 C ATOM 1958 C CYS A 573 -1.902 3.229 35.887 1.00 20.26 C ATOM 1959 O CYS A 573 -2.114 2.751 34.771 1.00 20.26 O ATOM 1960 CB CYS A 573 0.356 3.162 36.988 1.00 25.91 C ATOM 1961 SG CYS A 573 1.264 3.275 35.429 1.00 27.58 S ATOM 1962 H CYS A 573 0.017 0.734 36.189 1.00 0.00 H ATOM 1963 N LYS A 574 -2.417 4.386 36.289 1.00 21.80 N ATOM 1964 CA LYS A 574 -3.321 5.153 35.438 1.00 19.51 C ATOM 1965 C LYS A 574 -2.646 5.628 34.156 1.00 23.32 C ATOM 1966 O LYS A 574 -3.304 5.792 33.128 1.00 21.17 O ATOM 1967 CB LYS A 574 -3.909 6.341 36.204 1.00 24.59 C ATOM 1968 CG LYS A 574 -2.873 7.284 36.782 1.00 28.12 C ATOM 1969 CD LYS A 574 -3.529 8.358 37.638 1.00 31.17 C ATOM 1970 CE LYS A 574 -2.489 9.197 38.361 1.00 51.44 C ATOM 1971 NZ LYS A 574 -1.509 9.795 37.415 1.00 48.09 N ATOM 1972 HZ1 LYS A 574 -1.018 9.036 36.901 1.00 0.00 H ATOM 1973 HZ2 LYS A 574 -2.010 10.406 36.739 1.00 0.00 H ATOM 1974 HZ3 LYS A 574 -0.816 10.360 37.947 1.00 0.00 H ATOM 1975 H LYS A 574 -2.171 4.753 37.230 1.00 0.00 H ATOM 1976 N GLU A 575 -1.334 5.837 34.217 1.00 23.08 N ATOM 1977 CA GLU A 575 -0.581 6.283 33.049 1.00 22.78 C ATOM 1978 C GLU A 575 -0.628 5.242 31.935 1.00 23.37 C ATOM 1979 O GLU A 575 -0.914 5.565 30.783 1.00 21.88 O ATOM 1980 CB GLU A 575 0.871 6.600 33.420 1.00 25.77 C ATOM 1981 CG GLU A 575 1.046 7.855 34.267 1.00 31.15 C ATOM 1982 CD GLU A 575 0.664 7.651 35.722 1.00 42.40 C ATOM 1983 OE1 GLU A 575 0.484 8.660 36.438 1.00 41.22 O ATOM 1984 OE2 GLU A 575 0.551 6.483 36.155 1.00 32.98 O ATOM 1985 H GLU A 575 -0.834 5.679 35.115 1.00 0.00 H ATOM 1986 N LEU A 576 -0.352 3.990 32.281 1.00 21.52 N ATOM 1987 CA LEU A 576 -0.411 2.917 31.299 1.00 18.64 C ATOM 1988 C LEU A 576 -1.854 2.652 30.879 1.00 19.26 C ATOM 1989 O LEU A 576 -2.132 2.442 29.698 1.00 18.28 O ATOM 1990 CB LEU A 576 0.244 1.642 31.839 1.00 20.93 C ATOM 1991 CG LEU A 576 0.243 0.438 30.895 1.00 19.51 C ATOM 1992 CD1 LEU A 576 0.868 0.788 29.549 1.00 21.49 C ATOM 1993 CD2 LEU A 576 0.966 -0.736 31.540 1.00 24.42 C ATOM 1994 H LEU A 576 -0.091 3.774 33.264 1.00 0.00 H ATOM 1995 N ALA A 577 -2.769 2.676 31.844 1.00 16.53 N ATOM 1996 CA ALA A 577 -4.182 2.453 31.552 1.00 16.74 C ATOM 1997 C ALA A 577 -4.730 3.461 30.540 1.00 18.21 C ATOM 1998 O ALA A 577 -5.462 3.091 29.623 1.00 19.21 O ATOM 1999 CB ALA A 577 -5.008 2.473 32.833 1.00 18.58 C ATOM 2000 H ALA A 577 -2.473 2.857 32.824 1.00 0.00 H ATOM 2001 N SER A 578 -4.366 4.731 30.700 1.00 17.86 N ATOM 2002 CA SER A 578 -4.831 5.773 29.789 1.00 18.74 C ATOM 2003 C SER A 578 -4.302 5.554 28.375 1.00 15.92 C ATOM 2004 O SER A 578 -5.028 5.718 27.396 1.00 18.20 O ATOM 2005 CB SER A 578 -4.434 7.161 30.298 1.00 19.03 C ATOM 2006 OG SER A 578 -3.029 7.338 30.274 1.00 24.53 O ATOM 2007 HG SER A 578 -2.602 6.657 30.852 1.00 0.00 H ATOM 2008 H SER A 578 -3.738 4.986 31.489 1.00 0.00 H ATOM 2009 N ARG A 579 -3.036 5.173 28.275 1.00 16.78 N ATOM 2010 CA ARG A 579 -2.430 4.930 26.977 1.00 16.88 C ATOM 2011 C ARG A 579 -3.023 3.699 26.295 1.00 17.37 C ATOM 2012 O ARG A 579 -3.116 3.652 25.072 1.00 16.70 O ATOM 2013 CB ARG A 579 -0.911 4.831 27.109 1.00 18.70 C ATOM 2014 CG ARG A 579 -0.263 6.195 27.322 1.00 20.10 C ATOM 2015 CD ARG A 579 1.166 6.084 27.801 1.00 20.94 C ATOM 2016 NE ARG A 579 1.780 7.400 27.980 1.00 18.40 N ATOM 2017 CZ ARG A 579 1.657 8.136 29.080 1.00 24.29 C ATOM 2018 NH1 ARG A 579 0.935 7.692 30.100 1.00 31.15 N ATOM 2019 NH2 ARG A 579 2.250 9.318 29.162 1.00 23.19 N ATOM 2020 HE ARG A 579 2.348 7.783 27.198 1.00 0.00 H ATOM 2021 HH12 ARG A 579 0.840 8.269 30.960 1.00 0.00 H ATOM 2022 HH11 ARG A 579 0.464 6.767 30.040 1.00 0.00 H ATOM 2023 HH22 ARG A 579 2.151 9.891 30.025 1.00 0.00 H ATOM 2024 HH21 ARG A 579 2.814 9.673 28.364 1.00 0.00 H ATOM 2025 H ARG A 579 -2.469 5.046 29.138 1.00 0.00 H ATOM 2026 N LEU A 580 -3.450 2.716 27.081 1.00 19.15 N ATOM 2027 CA LEU A 580 -4.100 1.536 26.510 1.00 19.12 C ATOM 2028 C LEU A 580 -5.509 1.862 26.019 1.00 17.26 C ATOM 2029 O LEU A 580 -5.987 1.272 25.049 1.00 19.07 O ATOM 2030 CB LEU A 580 -4.129 0.378 27.510 1.00 17.65 C ATOM 2031 CG LEU A 580 -2.768 -0.259 27.793 1.00 17.20 C ATOM 2032 CD1 LEU A 580 -2.893 -1.348 28.845 1.00 19.84 C ATOM 2033 CD2 LEU A 580 -2.164 -0.816 26.505 1.00 19.20 C ATOM 2034 H LEU A 580 -3.321 2.786 28.111 1.00 0.00 H ATOM 2035 N ARG A 581 -6.171 2.804 26.683 1.00 17.78 N ATOM 2036 CA ARG A 581 -7.467 3.271 26.201 1.00 19.43 C ATOM 2037 C ARG A 581 -7.292 3.988 24.870 1.00 19.81 C ATOM 2038 O ARG A 581 -8.069 3.782 23.940 1.00 18.95 O ATOM 2039 CB ARG A 581 -8.157 4.176 27.227 1.00 16.94 C ATOM 2040 CG ARG A 581 -8.630 3.433 28.472 1.00 19.96 C ATOM 2041 CD ARG A 581 -9.576 4.281 29.314 1.00 19.86 C ATOM 2042 NE ARG A 581 -8.978 5.548 29.727 1.00 22.61 N ATOM 2043 CZ ARG A 581 -8.286 5.723 30.850 1.00 24.11 C ATOM 2044 NH1 ARG A 581 -8.093 4.708 31.684 1.00 24.26 N ATOM 2045 NH2 ARG A 581 -7.786 6.917 31.142 1.00 27.58 N ATOM 2046 HE ARG A 581 -9.101 6.369 29.101 1.00 0.00 H ATOM 2047 HH12 ARG A 581 -7.551 4.851 32.560 1.00 0.00 H ATOM 2048 HH11 ARG A 581 -8.484 3.770 31.461 1.00 0.00 H ATOM 2049 HH22 ARG A 581 -7.245 7.054 32.020 1.00 0.00 H ATOM 2050 HH21 ARG A 581 -7.935 7.716 30.493 1.00 0.00 H ATOM 2051 H ARG A 581 -5.764 3.210 27.550 1.00 0.00 H ATOM 2052 N TYR A 582 -6.258 4.818 24.780 1.00 17.58 N ATOM 2053 CA TYR A 582 -5.945 5.507 23.536 1.00 17.05 C ATOM 2054 C TYR A 582 -5.589 4.517 22.430 1.00 18.45 C ATOM 2055 O TYR A 582 -6.022 4.671 21.284 1.00 19.03 O ATOM 2056 CB TYR A 582 -4.799 6.501 23.750 1.00 18.36 C ATOM 2057 CG TYR A 582 -4.537 7.383 22.550 1.00 18.61 C ATOM 2058 CD1 TYR A 582 -5.325 8.499 22.304 1.00 19.85 C ATOM 2059 CD2 TYR A 582 -3.506 7.098 21.661 1.00 17.32 C ATOM 2060 CE1 TYR A 582 -5.095 9.308 21.209 1.00 19.63 C ATOM 2061 CE2 TYR A 582 -3.266 7.905 20.564 1.00 18.19 C ATOM 2062 CZ TYR A 582 -4.064 9.009 20.342 1.00 18.15 C ATOM 2063 OH TYR A 582 -3.833 9.815 19.251 1.00 19.75 O ATOM 2064 HH TYR A 582 -2.917 10.187 19.305 1.00 0.00 H ATOM 2065 H TYR A 582 -5.660 4.979 25.615 1.00 0.00 H ATOM 2066 N ALA A 583 -4.807 3.498 22.780 1.00 17.48 N ATOM 2067 CA ALA A 583 -4.407 2.476 21.818 1.00 16.21 C ATOM 2068 C ALA A 583 -5.621 1.791 21.197 1.00 18.09 C ATOM 2069 O ALA A 583 -5.644 1.535 19.995 1.00 19.20 O ATOM 2070 CB ALA A 583 -3.491 1.449 22.471 1.00 19.01 C ATOM 2071 H ALA A 583 -4.473 3.429 23.763 1.00 0.00 H ATOM 2072 N ARG A 584 -6.629 1.505 22.015 1.00 19.25 N ATOM 2073 CA ARG A 584 -7.846 0.885 21.508 1.00 20.79 C ATOM 2074 C ARG A 584 -8.498 1.758 20.439 1.00 20.31 C ATOM 2075 O ARG A 584 -8.939 1.258 19.403 1.00 19.07 O ATOM 2076 CB ARG A 584 -8.827 0.571 22.649 1.00 19.94 C ATOM 2077 CG ARG A 584 -10.121 -0.098 22.197 1.00 21.74 C ATOM 2078 CD ARG A 584 -11.234 0.924 21.999 1.00 29.74 C ATOM 2079 NE ARG A 584 -12.256 0.456 21.070 1.00 29.64 N ATOM 2080 CZ ARG A 584 -13.351 -0.204 21.435 1.00 39.21 C ATOM 2081 NH1 ARG A 584 -13.563 -0.479 22.715 1.00 43.50 N ATOM 2082 NH2 ARG A 584 -14.233 -0.588 20.521 1.00 36.37 N ATOM 2083 HE ARG A 584 -12.120 0.651 20.058 1.00 0.00 H ATOM 2084 HH12 ARG A 584 -14.419 -0.995 23.001 1.00 0.00 H ATOM 2085 HH11 ARG A 584 -12.873 -0.178 23.433 1.00 0.00 H ATOM 2086 HH22 ARG A 584 -15.089 -1.104 20.809 1.00 0.00 H ATOM 2087 HH21 ARG A 584 -14.068 -0.373 19.517 1.00 0.00 H ATOM 2088 H ARG A 584 -6.548 1.726 23.028 1.00 0.00 H ATOM 2089 N THR A 585 -8.557 3.063 20.686 1.00 17.87 N ATOM 2090 CA THR A 585 -9.162 3.972 19.716 1.00 18.35 C ATOM 2091 C THR A 585 -8.356 4.025 18.419 1.00 19.81 C ATOM 2092 O THR A 585 -8.923 4.167 17.337 1.00 20.57 O ATOM 2093 CB THR A 585 -9.356 5.394 20.284 1.00 20.29 C ATOM 2094 OG1 THR A 585 -8.087 6.035 20.451 1.00 25.16 O ATOM 2095 CG2 THR A 585 -10.068 5.342 21.618 1.00 20.49 C ATOM 2096 HG1 THR A 585 -7.532 5.507 21.078 1.00 0.00 H ATOM 2097 H THR A 585 -8.170 3.439 21.575 1.00 0.00 H ATOM 2098 N MET A 586 -7.037 3.893 18.529 1.00 18.51 N ATOM 2099 CA MET A 586 -6.175 3.876 17.351 1.00 17.44 C ATOM 2100 C MET A 586 -6.357 2.600 16.537 1.00 19.59 C ATOM 2101 O MET A 586 -6.293 2.624 15.308 1.00 19.33 O ATOM 2102 CB MET A 586 -4.705 4.035 17.744 1.00 17.79 C ATOM 2103 CG MET A 586 -4.359 5.378 18.383 1.00 16.94 C ATOM 2104 SD MET A 586 -4.725 6.823 17.357 1.00 19.03 S ATOM 2105 CE MET A 586 -6.255 7.399 18.099 1.00 23.52 C ATOM 2106 H MET A 586 -6.611 3.800 19.473 1.00 0.00 H ATOM 2107 N VAL A 587 -6.574 1.485 17.225 1.00 20.16 N ATOM 2108 CA VAL A 587 -6.811 0.219 16.545 1.00 17.78 C ATOM 2109 C VAL A 587 -8.163 0.259 15.834 1.00 20.41 C ATOM 2110 O VAL A 587 -8.302 -0.251 14.721 1.00 19.72 O ATOM 2111 CB VAL A 587 -6.722 -0.968 17.523 1.00 19.68 C ATOM 2112 CG1 VAL A 587 -7.113 -2.268 16.831 1.00 21.73 C ATOM 2113 CG2 VAL A 587 -5.314 -1.076 18.083 1.00 21.85 C ATOM 2114 H VAL A 587 -6.575 1.516 18.265 1.00 0.00 H ATOM 2115 N ASP A 588 -9.148 0.890 16.468 1.00 20.23 N ATOM 2116 CA ASP A 588 -10.439 1.117 15.823 1.00 19.57 C ATOM 2117 C ASP A 588 -10.276 1.897 14.521 1.00 21.32 C ATOM 2118 O ASP A 588 -10.932 1.591 13.527 1.00 21.62 O ATOM 2119 CB ASP A 588 -11.402 1.847 16.765 1.00 26.41 C ATOM 2120 CG ASP A 588 -12.186 0.895 17.647 1.00 27.69 C ATOM 2121 OD1 ASP A 588 -12.483 -0.228 17.188 1.00 38.20 O ATOM 2122 OD2 ASP A 588 -12.509 1.271 18.791 1.00 39.32 O ATOM 2123 H ASP A 588 -8.996 1.228 17.440 1.00 0.00 H ATOM 2124 N LYS A 589 -9.400 2.899 14.528 1.00 21.04 N ATOM 2125 CA LYS A 589 -9.148 3.681 13.324 1.00 22.37 C ATOM 2126 C LYS A 589 -8.485 2.836 12.239 1.00 24.28 C ATOM 2127 O LYS A 589 -8.835 2.943 11.064 1.00 24.83 O ATOM 2128 CB LYS A 589 -8.307 4.924 13.630 1.00 21.17 C ATOM 2129 CG LYS A 589 -8.210 5.889 12.456 1.00 27.21 C ATOM 2130 CD LYS A 589 -7.422 7.139 12.812 1.00 38.39 C ATOM 2131 CE LYS A 589 -8.098 7.940 13.912 1.00 42.53 C ATOM 2132 NZ LYS A 589 -9.350 8.591 13.439 1.00 39.33 N ATOM 2133 HZ1 LYS A 589 -9.128 9.238 12.655 1.00 0.00 H ATOM 2134 HZ2 LYS A 589 -10.016 7.862 13.111 1.00 0.00 H ATOM 2135 HZ3 LYS A 589 -9.778 9.126 14.221 1.00 0.00 H ATOM 2136 H LYS A 589 -8.888 3.127 15.404 1.00 0.00 H ATOM 2137 N LEU A 590 -7.525 2.004 12.635 1.00 21.06 N ATOM 2138 CA LEU A 590 -6.869 1.106 11.690 1.00 21.13 C ATOM 2139 C LEU A 590 -7.880 0.146 11.069 1.00 22.20 C ATOM 2140 O LEU A 590 -7.895 -0.045 9.854 1.00 26.50 O ATOM 2141 CB LEU A 590 -5.740 0.323 12.368 1.00 23.11 C ATOM 2142 CG LEU A 590 -4.491 1.116 12.761 1.00 21.20 C ATOM 2143 CD1 LEU A 590 -3.565 0.264 13.624 1.00 20.31 C ATOM 2144 CD2 LEU A 590 -3.759 1.625 11.529 1.00 20.57 C ATOM 2145 H LEU A 590 -7.237 1.994 13.634 1.00 0.00 H ATOM 2146 N LEU A 591 -8.731 -0.442 11.905 1.00 21.23 N ATOM 2147 CA LEU A 591 -9.730 -1.396 11.432 1.00 22.14 C ATOM 2148 C LEU A 591 -10.785 -0.758 10.530 1.00 28.52 C ATOM 2149 O LEU A 591 -11.201 -1.355 9.538 1.00 27.74 O ATOM 2150 CB LEU A 591 -10.404 -2.104 12.610 1.00 24.81 C ATOM 2151 CG LEU A 591 -9.668 -3.313 13.185 1.00 32.95 C ATOM 2152 CD1 LEU A 591 -10.252 -3.698 14.533 1.00 33.23 C ATOM 2153 CD2 LEU A 591 -9.747 -4.482 12.214 1.00 29.24 C ATOM 2154 H LEU A 591 -8.684 -0.217 12.919 1.00 0.00 H ATOM 2155 N SER A 592 -11.216 0.453 10.872 1.00 23.94 N ATOM 2156 CA SER A 592 -12.278 1.112 10.114 1.00 23.46 C ATOM 2157 C SER A 592 -11.769 1.754 8.826 1.00 29.11 C ATOM 2158 O SER A 592 -12.557 2.241 8.017 1.00 31.56 O ATOM 2159 CB SER A 592 -13.001 2.153 10.975 1.00 25.15 C ATOM 2160 OG SER A 592 -12.119 3.186 11.378 1.00 28.81 O ATOM 2161 HG SER A 592 -11.378 2.798 11.907 1.00 0.00 H ATOM 2162 H SER A 592 -10.792 0.937 11.689 1.00 0.00 H ATOM 2163 N SER A 593 -10.453 1.745 8.634 1.00 26.09 N ATOM 2164 CA SER A 593 -9.857 2.341 7.444 1.00 25.67 C ATOM 2165 C SER A 593 -9.001 1.346 6.662 1.00 31.65 C ATOM 2166 O SER A 593 -8.148 1.743 5.868 1.00 40.90 O ATOM 2167 CB SER A 593 -9.027 3.573 7.816 1.00 28.41 C ATOM 2168 OG SER A 593 -7.994 3.236 8.726 1.00 33.72 O ATOM 2169 HG SER A 593 -8.392 2.861 9.551 1.00 0.00 H ATOM 2170 H SER A 593 -9.837 1.304 9.347 1.00 0.00 H ATOM 2171 N ARG A 594 -9.232 0.055 6.887 1.00 30.81 N ATOM 2172 CA ARG A 594 -8.510 -0.986 6.156 1.00 28.01 C ATOM 2173 C ARG A 594 -8.858 -0.959 4.672 1.00 36.36 C ATOM 2174 O ARG A 594 -8.023 -0.612 3.836 1.00 51.30 O ATOM 2175 CB ARG A 594 -8.800 -2.374 6.737 1.00 40.04 C ATOM 2176 CG ARG A 594 -8.116 -2.652 8.063 1.00 45.94 C ATOM 2177 CD ARG A 594 -8.075 -4.141 8.380 1.00 44.03 C ATOM 2178 NE ARG A 594 -9.407 -4.724 8.518 1.00 50.96 N ATOM 2179 CZ ARG A 594 -9.638 -5.952 8.973 1.00 48.48 C ATOM 2180 NH1 ARG A 594 -8.627 -6.726 9.340 1.00 51.21 N ATOM 2181 NH2 ARG A 594 -10.881 -6.405 9.068 1.00 43.00 N ATOM 2182 HE ARG A 594 -10.225 -4.143 8.244 1.00 0.00 H ATOM 2183 HH12 ARG A 594 -8.810 -7.686 9.696 1.00 0.00 H ATOM 2184 HH11 ARG A 594 -7.651 -6.373 9.272 1.00 0.00 H ATOM 2185 HH22 ARG A 594 -11.058 -7.366 9.424 1.00 0.00 H ATOM 2186 HH21 ARG A 594 -11.678 -5.799 8.786 1.00 0.00 H ATOM 2187 H ARG A 594 -9.940 -0.219 7.597 1.00 0.00 H TER 2188 ARG A 594 HETATM 2189 O HOH 1 10.586 5.189 16.978 1.00 17.83 O HETATM 2190 O HOH 2 -8.532 1.760 34.512 1.00 20.57 O HETATM 2191 O HOH 3 14.391 8.417 16.980 1.00 18.75 O HETATM 2192 O HOH 4 11.071 7.620 26.049 1.00 19.56 O HETATM 2193 O HOH 5 10.586 -3.298 6.885 1.00 20.32 O HETATM 2194 O HOH 6 2.625 -1.698 41.324 1.00 23.18 O HETATM 2195 O HOH 7 7.119 -6.770 16.189 1.00 21.87 O HETATM 2196 O HOH 8 -6.699 0.686 30.259 1.00 20.77 O HETATM 2197 O HOH 9 5.434 -8.494 22.094 1.00 19.77 O HETATM 2198 O HOH 10 12.353 6.113 23.927 1.00 22.58 O HETATM 2199 O HOH 11 0.979 15.170 13.897 1.00 24.81 O HETATM 2200 O HOH 12 -5.779 -11.000 40.752 1.00 25.21 O HETATM 2201 O HOH 13 -7.935 -5.247 36.369 1.00 24.33 O HETATM 2202 O HOH 14 12.252 4.032 -8.798 1.00 22.50 O HETATM 2203 O HOH 15 6.039 -9.706 19.639 1.00 23.98 O HETATM 2204 O HOH 16 13.273 -2.766 7.490 1.00 22.98 O HETATM 2205 O HOH 17 5.239 -5.952 23.057 1.00 22.87 O HETATM 2206 O HOH 18 -2.411 -11.544 27.172 1.00 21.65 O HETATM 2207 O HOH 19 14.222 5.079 -11.657 1.00 28.77 O HETATM 2208 O HOH 20 3.841 -9.188 15.899 1.00 22.92 O HETATM 2209 O HOH 21 1.767 13.685 22.515 1.00 23.98 O HETATM 2210 O HOH 22 8.136 -6.683 -6.828 1.00 28.92 O HETATM 2211 O HOH 23 3.544 -1.107 -8.837 1.00 25.39 O HETATM 2212 O HOH 24 7.824 -9.073 17.412 1.00 26.92 O HETATM 2213 O HOH 25 24.766 -7.325 -6.146 1.00 29.80 O HETATM 2214 O HOH 26 23.249 13.909 7.159 1.00 27.84 O HETATM 2215 O HOH 27 13.903 3.771 24.267 1.00 22.81 O HETATM 2216 O HOH 28 3.513 -2.463 -1.552 1.00 26.14 O HETATM 2217 O HOH 29 19.581 3.890 9.070 1.00 25.68 O HETATM 2218 O HOH 30 -11.077 1.350 30.986 1.00 26.39 O HETATM 2219 O HOH 31 5.893 -2.915 35.985 1.00 25.73 O HETATM 2220 O HOH 32 16.881 -9.198 11.441 1.00 27.59 O HETATM 2221 O HOH 33 -12.363 -7.636 30.463 1.00 33.68 O HETATM 2222 O HOH 34 -1.870 10.742 8.954 1.00 27.65 O HETATM 2223 O HOH 35 6.347 -0.839 -9.171 1.00 29.44 O HETATM 2224 O HOH 36 -10.756 3.442 24.590 1.00 28.18 O HETATM 2225 O HOH 37 -10.080 -8.476 36.104 1.00 25.57 O HETATM 2226 O HOH 38 17.779 -7.258 8.309 1.00 27.35 O HETATM 2227 O HOH 39 9.613 -7.024 31.118 1.00 26.47 O HETATM 2228 O HOH 40 2.002 -13.715 40.464 1.00 35.41 O HETATM 2229 O HOH 41 13.515 1.722 26.069 1.00 27.67 O HETATM 2230 O HOH 42 -8.639 1.841 31.693 1.00 23.75 O HETATM 2231 O HOH 43 0.070 16.001 22.763 1.00 31.00 O HETATM 2232 O HOH 44 4.686 7.125 32.176 1.00 28.23 O HETATM 2233 O HOH 45 -2.173 4.800 39.289 1.00 30.47 O HETATM 2234 O HOH 46 11.739 11.634 27.915 1.00 26.42 O HETATM 2235 O HOH 47 -1.977 -14.448 27.584 1.00 33.20 O HETATM 2236 O HOH 48 -4.999 -10.878 25.998 1.00 27.34 O HETATM 2237 O HOH 49 6.358 -10.554 36.323 1.00 26.89 O HETATM 2238 O HOH 50 9.432 13.156 28.270 1.00 29.62 O HETATM 2239 O HOH 51 -12.342 -7.690 17.352 1.00 35.36 O HETATM 2240 O HOH 52 10.022 5.965 -8.935 1.00 30.49 O HETATM 2241 O HOH 53 12.441 -4.703 31.582 1.00 34.46 O HETATM 2242 O HOH 54 -6.774 7.847 27.005 1.00 30.45 O HETATM 2243 O HOH 55 6.649 15.421 4.992 1.00 30.92 O HETATM 2244 O HOH 56 -6.151 -13.106 33.793 1.00 32.60 O HETATM 2245 O HOH 57 -11.372 0.643 25.385 1.00 32.25 O HETATM 2246 O HOH 58 19.892 -1.523 6.435 1.00 29.41 O HETATM 2247 O HOH 59 -6.426 -8.773 27.151 1.00 27.65 O HETATM 2248 O HOH 60 3.788 6.476 3.280 1.00 29.27 O HETATM 2249 O HOH 61 6.464 -10.359 9.040 1.00 34.28 O HETATM 2250 O HOH 62 3.782 -15.020 32.218 1.00 33.46 O HETATM 2251 O HOH 63 -12.191 -10.838 28.087 1.00 33.38 O HETATM 2252 O HOH 64 7.858 -11.517 20.517 1.00 36.06 O HETATM 2253 O HOH 65 2.548 0.425 39.528 1.00 31.30 O HETATM 2254 O HOH 66 -11.104 6.276 25.449 1.00 34.05 O HETATM 2255 O HOH 67 -2.820 -14.454 21.111 1.00 40.67 O HETATM 2256 O HOH 68 23.598 5.087 13.842 1.00 31.05 O HETATM 2257 O HOH 69 14.243 -0.656 31.733 1.00 36.57 O HETATM 2258 O HOH 70 8.122 14.891 19.992 1.00 33.01 O HETATM 2259 O HOH 71 -8.863 9.058 20.687 1.00 35.58 O HETATM 2260 O HOH 72 20.803 11.382 3.768 1.00 28.25 O HETATM 2261 O HOH 73 8.105 1.215 31.333 1.00 28.34 O HETATM 2262 O HOH 74 20.509 -9.082 6.737 1.00 34.23 O HETATM 2263 O HOH 75 4.815 -13.193 33.757 1.00 33.85 O HETATM 2264 O HOH 76 5.830 -11.106 15.882 1.00 30.52 O HETATM 2265 O HOH 77 4.102 2.263 34.197 1.00 33.65 O HETATM 2266 O HOH 78 2.379 12.822 24.878 1.00 35.67 O HETATM 2267 O HOH 79 7.962 3.055 -9.593 1.00 37.04 O HETATM 2268 O HOH 80 -11.283 5.558 16.651 1.00 33.80 O HETATM 2269 O HOH 81 9.474 -3.797 37.643 1.00 36.46 O HETATM 2270 O HOH 82 3.630 -6.153 42.036 1.00 33.45 O HETATM 2271 O HOH 83 2.953 8.689 2.551 1.00 35.69 O HETATM 2272 O HOH 84 -8.538 7.215 24.802 1.00 38.13 O HETATM 2273 O HOH 85 17.782 -2.655 20.380 1.00 33.51 O HETATM 2274 O HOH 86 5.491 -12.780 17.853 1.00 42.64 O HETATM 2275 O HOH 87 2.375 13.037 29.379 1.00 31.27 O HETATM 2276 O HOH 88 17.106 5.429 22.966 1.00 35.76 O HETATM 2277 O HOH 89 -0.426 4.153 5.361 1.00 35.92 O HETATM 2278 O HOH 90 15.365 -8.258 15.879 1.00 35.04 O HETATM 2279 O HOH 91 -6.173 6.143 33.539 1.00 33.66 O HETATM 2280 O HOH 92 -5.656 0.472 8.339 1.00 32.12 O HETATM 2281 O HOH 93 -4.031 -14.473 32.251 1.00 33.96 O HETATM 2282 O HOH 94 -2.611 0.128 44.435 1.00 34.13 O HETATM 2283 O HOH 95 13.358 -12.341 26.097 1.00 34.32 O HETATM 2284 O HOH 96 -6.114 10.722 29.924 1.00 45.42 O HETATM 2285 O HOH 97 -3.907 -1.762 8.205 1.00 35.13 O HETATM 2286 O HOH 98 9.278 15.778 27.105 1.00 37.10 O HETATM 2287 O HOH 99 15.213 -10.640 25.088 1.00 38.51 O HETATM 2288 O HOH 100 7.354 4.787 34.559 1.00 36.09 O HETATM 2289 O HOH 101 16.608 -0.378 18.997 1.00 34.45 O HETATM 2290 O HOH 102 25.037 -5.992 -11.131 1.00 36.20 O HETATM 2291 O HOH 103 21.170 5.773 19.556 1.00 35.26 O HETATM 2292 O HOH 104 7.107 -8.115 -11.018 1.00 37.01 O HETATM 2293 O HOH 105 -8.203 -12.144 28.757 1.00 39.82 O HETATM 2294 O HOH 106 -12.877 4.796 18.139 1.00 39.46 O HETATM 2295 O HOH 107 -12.329 2.083 28.400 1.00 36.73 O HETATM 2296 O HOH 108 -2.837 10.905 23.298 1.00 41.37 O HETATM 2297 O HOH 109 -10.864 -11.771 15.894 1.00 46.27 O HETATM 2298 O HOH 110 5.190 -12.166 -4.432 1.00 40.30 O HETATM 2299 O HOH 111 -5.774 -6.920 10.216 1.00 41.41 O HETATM 2300 O HOH 112 3.764 -13.226 36.256 1.00 35.76 O HETATM 2301 O HOH 113 8.763 -13.465 -4.243 1.00 48.48 O HETATM 2302 O HOH 114 23.070 10.373 1.825 1.00 43.01 O HETATM 2303 O HOH 115 2.134 14.885 3.667 1.00 45.57 O HETATM 2304 O HOH 116 17.077 17.871 9.814 1.00 34.62 O HETATM 2305 O HOH 117 20.711 8.096 24.469 1.00 40.52 O HETATM 2306 O HOH 118 29.903 9.365 10.018 1.00 46.86 O HETATM 2307 O HOH 119 -8.081 -8.369 11.400 1.00 39.49 O HETATM 2308 O HOH 120 20.244 -0.598 -13.177 1.00 44.44 O HETATM 2309 O HOH 121 7.154 13.136 -5.933 1.00 48.40 O HETATM 2310 O HOH 122 2.069 -11.341 -1.102 1.00 48.07 O HETATM 2311 O HOH 123 -14.044 -0.433 28.991 1.00 41.01 O HETATM 2312 O HOH 124 -8.255 8.548 29.258 1.00 48.73 O HETATM 2313 O HOH 125 16.610 -10.468 17.980 1.00 51.73 O HETATM 2314 O HOH 126 3.299 -8.839 -0.182 1.00 44.03 O HETATM 2315 O HOH 127 4.563 4.925 34.229 1.00 33.62 O HETATM 2316 O HOH 128 19.299 5.827 23.673 1.00 41.62 O HETATM 2317 O HOH 129 -5.485 9.877 26.572 1.00 36.31 O HETATM 2318 O HOH 130 15.352 -11.308 10.202 1.00 36.11 O HETATM 2319 O HOH 131 16.266 3.841 30.849 1.00 43.81 O HETATM 2320 O HOH 132 22.138 -2.550 -11.242 1.00 37.20 O HETATM 2321 O HOH 133 6.112 7.615 -4.601 1.00 39.44 O HETATM 2322 O HOH 134 8.286 8.493 -4.520 1.00 35.05 O HETATM 2323 O HOH 135 -6.599 -1.037 40.050 1.00 29.91 O HETATM 2324 O HOH 136 7.848 -0.700 3.837 1.00 31.78 O HETATM 2325 O HOH 137 18.831 -10.968 10.040 1.00 49.29 O HETATM 2326 O HOH 138 22.009 -5.790 -12.436 1.00 42.40 O HETATM 2327 O HOH 139 -4.477 11.196 28.166 1.00 44.20 O HETATM 2328 O HOH 140 5.977 16.005 28.236 1.00 36.96 O HETATM 2329 O HOH 141 2.617 -7.598 43.820 1.00 38.78 O HETATM 2330 O HOH 142 17.983 8.784 -9.147 1.00 40.79 O HETATM 2331 O HOH 143 8.149 -13.302 19.161 1.00 48.61 O HETATM 2332 O HOH 144 -0.911 5.155 -2.578 1.00 42.46 O HETATM 2333 O HOH 145 17.816 -6.607 16.646 1.00 38.22 O HETATM 2334 O HOH 146 -8.577 10.309 18.455 1.00 39.66 O HETATM 2335 O HOH 147 -7.435 -10.437 13.827 1.00 41.72 O HETATM 2336 O HOH 148 18.125 -10.148 7.948 1.00 41.35 O HETATM 2337 O HOH 149 21.511 -1.346 18.296 1.00 40.58 O HETATM 2338 O HOH 150 -4.619 -9.929 10.101 1.00 47.75 O HETATM 2339 O HOH 151 21.513 3.897 13.484 1.00 42.95 O HETATM 2340 O HOH 152 -14.377 6.114 16.703 1.00 44.56 O HETATM 2341 O HOH 153 16.251 -9.847 13.971 1.00 38.47 O HETATM 2342 O HOH 154 10.303 -8.045 33.529 1.00 44.80 O HETATM 2343 O HOH 155 -11.442 -11.062 30.278 1.00 43.25 O HETATM 2344 O HOH 156 20.319 8.068 -8.392 1.00 44.97 O HETATM 2345 O HOH 157 6.491 1.008 -10.741 1.00 43.28 O HETATM 2346 O HOH 158 -5.216 4.126 39.988 1.00 49.40 O HETATM 2347 O HOH 159 2.319 -16.194 40.807 1.00 37.29 O HETATM 2348 O HOH 160 1.390 -14.577 37.263 1.00 46.19 O HETATM 2349 O HOH 161 0.066 -10.864 -2.151 1.00 48.34 O HETATM 2350 O HOH 162 3.872 -15.707 27.732 1.00 35.26 O HETATM 2351 O HOH 163 13.342 12.357 -10.725 1.00 50.31 O HETATM 2352 O HOH 164 11.585 -9.748 4.169 1.00 39.22 O HETATM 2353 O HOH 165 18.683 3.532 26.201 1.00 42.07 O HETATM 2354 O HOH 166 16.786 7.908 32.025 1.00 38.21 O HETATM 2355 O HOH 167 25.057 10.713 4.465 1.00 46.37 O HETATM 2356 O HOH 168 16.232 -12.454 23.397 1.00 47.85 O HETATM 2357 O HOH 169 4.023 -16.579 24.244 1.00 49.38 O HETATM 2358 O HOH 170 -6.372 -14.521 32.096 1.00 55.01 O HETATM 2359 O HOH 171 13.219 -5.574 33.811 1.00 55.57 O HETATM 2360 O HOH 172 -7.593 5.334 37.878 1.00 43.34 O HETATM 2361 O HOH 173 5.956 -9.747 6.725 1.00 45.85 O HETATM 2362 O HOH 174 11.182 18.388 26.406 1.00 42.52 O HETATM 2363 O HOH 175 5.143 -12.513 10.517 1.00 43.90 O HETATM 2364 O HOH 176 2.783 14.453 7.265 1.00 42.43 O HETATM 2365 O HOH 177 -6.290 -15.562 16.530 1.00 53.91 O HETATM 2366 O HOH 178 15.929 -13.914 7.986 1.00 45.79 O HETATM 2367 O HOH 179 0.505 12.144 4.958 1.00 47.04 O HETATM 2368 O HOH 180 -13.242 -2.088 26.717 1.00 39.19 O HETATM 2369 O HOH 181 6.205 0.646 33.076 1.00 45.17 O HETATM 2370 O HOH 182 2.738 20.976 20.844 1.00 44.52 O HETATM 2371 O HOH 183 2.218 -3.753 -9.351 1.00 34.65 O HETATM 2372 O HOH 184 14.671 6.582 22.809 1.00 32.95 O HETATM 2373 O HOH 185 20.516 1.369 8.485 1.00 31.98 O HETATM 2374 O HOH 186 -0.809 8.038 6.334 1.00 38.51 O HETATM 2375 O HOH 187 22.647 11.656 5.881 1.00 34.07 O HETATM 2376 O HOH 188 16.223 -6.646 27.327 1.00 40.80 O HETATM 2377 O HOH 189 13.672 10.040 23.816 1.00 33.43 O HETATM 2378 O HOH 190 12.791 9.875 26.081 1.00 25.08 O HETATM 2379 O HOH 191 10.644 -6.772 28.391 1.00 32.13 O HETATM 2380 O HOH 192 12.495 -8.536 27.694 1.00 32.50 O HETATM 2381 O HOH 193 14.857 -8.194 26.262 1.00 44.52 O HETATM 2382 O HOH 194 14.461 -8.843 -8.645 1.00 29.45 O HETATM 2383 O HOH 195 -1.758 -6.928 21.331 1.00 27.63 O HETATM 2384 O HOH 196 25.990 -3.351 -3.262 1.00 63.52 O HETATM 2385 O HOH 197 16.762 3.479 24.608 1.00 32.14 O HETATM 2386 O HOH 198 22.493 -1.721 8.178 1.00 35.76 O HETATM 2387 O HOH 199 -8.722 9.491 23.463 1.00 41.13 O HETATM 2388 O HOH 200 1.134 -3.810 -1.816 1.00 38.86 O HETATM 2389 O HOH 201 8.061 -10.836 12.734 1.00 32.32 O HETATM 2390 O HOH 202 -0.225 18.148 14.216 1.00 30.24 O HETATM 2391 O HOH 203 -13.918 0.049 26.723 1.00 39.01 O HETATM 2392 O HOH 204 3.407 6.010 36.218 1.00 35.25 O HETATM 2393 O HOH 205 7.727 8.888 21.322 1.00 17.86 O HETATM 2394 O HOH 206 8.719 9.229 17.650 1.00 17.90 O HETATM 2395 O HOH 207 8.197 12.013 18.756 1.00 32.00 O HETATM 2396 O HOH 208 10.547 17.745 12.933 1.00 30.66 O HETATM 2397 O HOH 209 18.705 13.231 18.128 1.00 32.19 O HETATM 2398 O HOH 210 10.126 13.587 17.089 1.00 29.95 O HETATM 2399 O HOH 211 10.487 18.289 15.413 1.00 46.17 O HETATM 2400 O HOH 212 3.546 18.347 10.689 1.00 43.78 O HETATM 2401 O HOH 213 6.851 19.808 12.450 1.00 44.51 O HETATM 2402 O HOH 214 11.303 15.228 16.199 1.00 41.53 O HETATM 2403 O HOH 215 12.212 7.163 18.363 1.00 17.69 O HETATM 2404 O HOH 216 14.076 7.404 20.472 1.00 28.90 O HETATM 2405 O HOH 217 13.515 8.436 22.395 1.00 34.65 O HETATM 2406 O HOH 218 14.416 15.548 18.798 1.00 40.29 O HETATM 2407 C ACE A 219 4.908 17.406 14.124 1.00 0.18 C HETATM 2408 O ACE A 219 5.197 17.906 13.051 1.00 -0.40 O HETATM 2409 CH3 ACE A 219 3.522 17.591 14.701 1.00 0.03 C HETATM 2410 H ACE A 219 3.454 17.070 15.667 1.00 0.05 H HETATM 2411 H ACE A 219 2.777 17.174 14.007 1.00 0.05 H HETATM 2412 H ACE A 219 3.326 18.663 14.849 1.00 0.05 H HETATM 2413 N ACE A 219 5.828 16.680 14.802 1.00 -0.25 N HETATM 2414 CA ACE A 219 7.214 16.419 14.356 1.00 0.13 C HETATM 2415 C ACE A 219 7.265 15.624 13.064 1.00 0.20 C HETATM 2416 O ACE A 219 6.435 14.743 12.856 1.00 -0.39 O HETATM 2417 N ACE A 219 8.239 15.923 12.169 1.00 -0.26 N HETATM 2418 CA ACE A 219 8.374 15.212 10.882 1.00 0.13 C HETATM 2419 C ACE A 219 9.400 14.091 10.960 1.00 0.20 C HETATM 2420 O ACE A 219 9.709 13.438 9.959 1.00 -0.39 O HETATM 2421 N ACE A 219 9.960 13.831 12.154 1.00 -0.26 N HETATM 2422 CA ACE A 219 10.957 12.750 12.310 1.00 0.16 C HETATM 2423 C ACE A 219 10.932 12.420 13.770 1.00 0.21 C HETATM 2424 O ACE A 219 10.447 13.185 14.604 1.00 -0.39 O HETATM 2425 N ACE A 219 11.481 11.229 14.076 1.00 -0.26 N HETATM 2426 CA ACE A 219 11.550 10.731 15.444 1.00 0.15 C HETATM 2427 C ACE A 219 12.580 11.484 16.238 1.00 0.21 C HETATM 2428 O ACE A 219 13.329 12.326 15.726 1.00 -0.39 O HETATM 2429 N ACE A 219 12.658 11.209 17.542 1.00 -0.26 N HETATM 2430 CA ACE A 219 13.604 11.882 18.440 1.00 0.16 C HETATM 2431 CB ACE A 219 13.325 11.392 19.862 1.00 0.13 C HETATM 2432 CG2 ACE A 219 14.043 12.191 20.944 1.00 -0.03 C HETATM 2433 H ACE A 219 13.792 11.778 21.932 1.00 0.03 H HETATM 2434 H ACE A 219 13.726 13.243 20.895 1.00 0.03 H HETATM 2435 H ACE A 219 15.130 12.128 20.786 1.00 0.03 H HETATM 2436 OG1 ACE A 219 11.940 11.527 20.164 1.00 -0.27 O HETATM 2437 P ACE A 219 11.046 10.198 20.361 1.00 0.20 P HETATM 2438 O1P ACE A 219 11.024 9.517 19.057 1.00 -0.55 O HETATM 2439 O2P ACE A 219 9.637 10.814 20.777 1.00 -0.55 O HETATM 2440 O3P ACE A 219 11.670 9.350 21.504 1.00 -0.55 O HETATM 2441 H ACE A 219 13.626 10.336 19.929 1.00 0.07 H HETATM 2442 C ACE A 219 15.065 11.784 18.142 1.00 0.20 C HETATM 2443 O ACE A 219 15.555 10.723 17.859 1.00 -0.39 O HETATM 2444 N ACE A 219 15.768 12.954 18.217 1.00 -0.30 N HETATM 2445 H ACE A 219 16.750 12.960 18.030 1.00 0.18 H HETATM 2446 H ACE A 219 15.300 13.804 18.459 1.00 0.18 H HETATM 2447 H ACE A 219 13.361 12.954 18.396 1.00 0.08 H HETATM 2448 H ACE A 219 12.046 10.515 17.923 1.00 0.19 H HETATM 2449 CB ACE A 219 11.695 9.208 15.393 1.00 0.08 C HETATM 2450 OG ACE A 219 12.914 8.866 14.737 1.00 -0.39 O HETATM 2451 H ACE A 219 13.645 9.238 15.216 1.00 0.21 H HETATM 2452 H ACE A 219 10.848 8.778 14.839 1.00 0.06 H HETATM 2453 H ACE A 219 11.705 8.807 16.417 1.00 0.06 H HETATM 2454 H ACE A 219 10.583 10.938 15.926 1.00 0.08 H HETATM 2455 H ACE A 219 11.855 10.666 13.338 1.00 0.19 H HETATM 2456 CB ACE A 219 12.384 13.023 11.835 1.00 0.11 C HETATM 2457 C12 ACE A 219 12.906 14.330 12.365 1.00 0.20 C HETATM 2458 C13 ACE A 219 13.426 14.570 13.588 1.00 0.11 C HETATM 2459 N14 ACE A 219 13.757 15.888 13.617 1.00 -0.29 N HETATM 2460 C15 ACE A 219 13.454 16.432 12.471 1.00 0.17 C HETATM 2461 N16 ACE A 219 12.921 15.510 11.653 1.00 -0.15 N HETATM 2462 C17 ACE A 219 12.447 15.704 10.282 1.00 0.08 C HETATM 2463 C18 ACE A 219 13.618 15.355 9.379 1.00 -0.02 C HETATM 2464 C19 ACE A 219 13.204 15.430 7.925 1.00 -0.05 C HETATM 2465 C20 ACE A 219 14.432 15.037 7.099 1.00 -0.05 C HETATM 2466 C21 ACE A 219 13.944 14.723 5.700 1.00 -0.05 C HETATM 2467 C22 ACE A 219 15.157 14.402 4.811 1.00 -0.05 C HETATM 2468 C23 ACE A 219 15.545 12.927 5.026 1.00 -0.04 C HETATM 2469 C24 ACE A 219 16.615 12.510 3.988 1.00 -0.02 C HETATM 2470 C25 ACE A 219 16.076 12.507 2.567 1.00 -0.04 C HETATM 2471 C26 ACE A 219 15.149 11.555 2.195 1.00 -0.06 C HETATM 2472 C27 ACE A 219 14.638 11.526 0.915 1.00 -0.07 C HETATM 2473 C28 ACE A 219 15.058 12.459 -0.007 1.00 -0.07 C HETATM 2474 C29 ACE A 219 15.984 13.417 0.351 1.00 -0.07 C HETATM 2475 C30 ACE A 219 16.496 13.448 1.634 1.00 -0.06 C HETATM 2476 H ACE A 219 17.222 14.203 1.912 1.00 0.06 H HETATM 2477 H ACE A 219 16.312 14.149 -0.378 1.00 0.06 H HETATM 2478 H ACE A 219 14.660 12.441 -1.015 1.00 0.06 H HETATM 2479 H ACE A 219 13.910 10.773 0.636 1.00 0.06 H HETATM 2480 H ACE A 219 14.818 10.820 2.919 1.00 0.06 H HETATM 2481 H ACE A 219 16.969 11.498 4.233 1.00 0.04 H HETATM 2482 H ACE A 219 17.456 13.217 4.045 1.00 0.04 H HETATM 2483 H ACE A 219 14.654 12.294 4.906 1.00 0.03 H HETATM 2484 H ACE A 219 15.951 12.800 6.040 1.00 0.03 H HETATM 2485 H ACE A 219 16.001 15.051 5.087 1.00 0.03 H HETATM 2486 H ACE A 219 14.897 14.567 3.755 1.00 0.03 H HETATM 2487 H ACE A 219 13.407 15.592 5.292 1.00 0.03 H HETATM 2488 H ACE A 219 13.268 13.855 5.730 1.00 0.03 H HETATM 2489 H ACE A 219 14.915 14.152 7.538 1.00 0.03 H HETATM 2490 H ACE A 219 15.150 15.870 7.070 1.00 0.03 H HETATM 2491 H ACE A 219 12.889 16.453 7.673 1.00 0.03 H HETATM 2492 H ACE A 219 12.376 14.732 7.730 1.00 0.03 H HETATM 2493 H ACE A 219 13.959 14.334 9.606 1.00 0.03 H HETATM 2494 H ACE A 219 14.439 16.065 9.559 1.00 0.03 H HETATM 2495 H ACE A 219 12.144 16.750 10.127 1.00 0.06 H HETATM 2496 H ACE A 219 11.594 15.041 10.075 1.00 0.06 H HETATM 2497 H ACE A 219 13.610 17.479 12.215 1.00 0.19 H HETATM 2498 CCA ACE A 219 14.364 16.595 14.770 1.00 0.01 C HETATM 2499 H ACE A 219 14.508 15.887 15.600 1.00 0.04 H HETATM 2500 H ACE A 219 13.698 17.409 15.093 1.00 0.04 H HETATM 2501 H ACE A 219 15.337 17.014 14.473 1.00 0.04 H HETATM 2502 H ACE A 219 13.555 13.849 14.393 1.00 0.13 H HETATM 2503 H ACE A 219 12.394 13.055 10.736 1.00 0.08 H HETATM 2504 H ACE A 219 13.038 12.210 12.184 1.00 0.08 H HETATM 2505 H ACE A 219 10.599 11.881 11.739 1.00 0.09 H HETATM 2506 H ACE A 219 9.698 14.377 12.950 1.00 0.19 H HETATM 2507 CB ACE A 219 8.703 16.193 9.750 1.00 -0.01 C HETATM 2508 CG ACE A 219 7.530 17.126 9.486 1.00 -0.04 C HETATM 2509 CD1 ACE A 219 7.945 17.999 8.288 1.00 -0.06 C HETATM 2510 H ACE A 219 7.133 18.700 8.046 1.00 0.02 H HETATM 2511 H ACE A 219 8.146 17.356 7.418 1.00 0.02 H HETATM 2512 H ACE A 219 8.853 18.564 8.543 1.00 0.02 H HETATM 2513 CD2 ACE A 219 6.291 16.350 9.060 1.00 -0.06 C HETATM 2514 H ACE A 219 5.957 15.709 9.889 1.00 0.02 H HETATM 2515 H ACE A 219 6.532 15.725 8.187 1.00 0.02 H HETATM 2516 H ACE A 219 5.489 17.055 8.796 1.00 0.02 H HETATM 2517 H ACE A 219 7.314 17.737 10.375 1.00 0.03 H HETATM 2518 H ACE A 219 8.926 15.626 8.834 1.00 0.03 H HETATM 2519 H ACE A 219 9.582 16.790 10.034 1.00 0.03 H HETATM 2520 H ACE A 219 7.401 14.753 10.653 1.00 0.08 H HETATM 2521 H ACE A 219 8.889 16.651 12.388 1.00 0.19 H HETATM 2522 CB ACE A 219 7.881 15.533 15.439 1.00 -0.01 C HETATM 2523 CG ACE A 219 6.955 15.588 16.679 1.00 -0.03 C HETATM 2524 CD ACE A 219 5.602 16.026 16.103 1.00 0.04 C HETATM 2525 H ACE A 219 4.956 15.146 15.967 1.00 0.05 H HETATM 2526 H ACE A 219 5.118 16.733 16.793 1.00 0.05 H HETATM 2527 H ACE A 219 7.324 16.320 17.412 1.00 0.03 H HETATM 2528 H ACE A 219 6.877 14.599 17.155 1.00 0.03 H HETATM 2529 H ACE A 219 8.877 15.925 15.691 1.00 0.03 H HETATM 2530 H ACE A 219 7.974 14.498 15.079 1.00 0.03 H HETATM 2531 H ACE A 219 7.753 17.370 14.235 1.00 0.08 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 1271 1272 1287 1288 1289 CONECT 1287 1271 CONECT 1288 1271 CONECT 1289 1271 CONECT 2407 2408 2409 2413 CONECT 2408 2407 CONECT 2409 2407 2410 2411 2412 CONECT 2410 2409 CONECT 2411 2409 CONECT 2412 2409 CONECT 2413 2407 2414 2524 CONECT 2414 2413 2415 2522 2531 CONECT 2415 2414 2416 2417 CONECT 2416 2415 CONECT 2417 2415 2418 2521 CONECT 2418 2417 2419 2507 2520 CONECT 2419 2418 2420 2421 CONECT 2420 2419 CONECT 2421 2419 2422 2506 CONECT 2422 2421 2423 2456 2505 CONECT 2423 2422 2424 2425 CONECT 2424 2423 CONECT 2425 2423 2426 2455 CONECT 2426 2425 2427 2449 2454 CONECT 2427 2426 2428 2429 CONECT 2428 2427 CONECT 2429 2427 2430 2448 CONECT 2430 2429 2431 2442 2447 CONECT 2431 2430 2432 2436 2441 CONECT 2432 2431 2433 2434 2435 CONECT 2433 2432 CONECT 2434 2432 CONECT 2435 2432 CONECT 2436 2431 2437 CONECT 2437 2436 2438 2439 2440 CONECT 2438 2437 CONECT 2439 2437 CONECT 2440 2437 CONECT 2441 2431 CONECT 2442 2430 2443 2444 CONECT 2443 2442 CONECT 2444 2442 2445 2446 CONECT 2445 2444 CONECT 2446 2444 CONECT 2447 2430 CONECT 2448 2429 CONECT 2449 2426 2450 2452 2453 CONECT 2450 2449 2451 CONECT 2451 2450 CONECT 2452 2449 CONECT 2453 2449 CONECT 2454 2426 CONECT 2455 2425 CONECT 2456 2422 2457 2503 2504 CONECT 2457 2456 2458 2461 CONECT 2458 2457 2459 2502 CONECT 2459 2458 2460 2498 CONECT 2460 2459 2461 2497 CONECT 2461 2457 2460 2462 CONECT 2462 2461 2463 2495 2496 CONECT 2463 2462 2464 2493 2494 CONECT 2464 2463 2465 2491 2492 CONECT 2465 2464 2466 2489 2490 CONECT 2466 2465 2467 2487 2488 CONECT 2467 2466 2468 2485 2486 CONECT 2468 2467 2469 2483 2484 CONECT 2469 2468 2470 2481 2482 CONECT 2470 2469 2471 2475 CONECT 2471 2470 2472 2480 CONECT 2472 2471 2473 2479 CONECT 2473 2472 2474 2478 CONECT 2474 2473 2475 2477 CONECT 2475 2470 2474 2476 CONECT 2476 2475 CONECT 2477 2474 CONECT 2478 2473 CONECT 2479 2472 CONECT 2480 2471 CONECT 2481 2469 CONECT 2482 2469 CONECT 2483 2468 CONECT 2484 2468 CONECT 2485 2467 CONECT 2486 2467 CONECT 2487 2466 CONECT 2488 2466 CONECT 2489 2465 CONECT 2490 2465 CONECT 2491 2464 CONECT 2492 2464 CONECT 2493 2463 CONECT 2494 2463 CONECT 2495 2462 CONECT 2496 2462 CONECT 2497 2460 CONECT 2498 2459 2499 2500 2501 CONECT 2499 2498 CONECT 2500 2498 CONECT 2501 2498 CONECT 2502 2458 CONECT 2503 2456 CONECT 2504 2456 CONECT 2505 2422 CONECT 2506 2421 CONECT 2507 2418 2508 2518 2519 CONECT 2508 2507 2509 2513 2517 CONECT 2509 2508 2510 2511 2512 CONECT 2510 2509 CONECT 2511 2509 CONECT 2512 2509 CONECT 2513 2508 2514 2515 2516 CONECT 2514 2513 CONECT 2515 2513 CONECT 2516 2513 CONECT 2517 2508 CONECT 2518 2507 CONECT 2519 2507 CONECT 2520 2418 CONECT 2521 2417 CONECT 2522 2414 2523 2529 2530 CONECT 2523 2522 2524 2527 2528 CONECT 2524 2413 2523 2525 2526 CONECT 2525 2524 CONECT 2526 2524 CONECT 2527 2523 CONECT 2528 2523 CONECT 2529 2522 CONECT 2530 2522 CONECT 2531 2414 MASTER 0 0 0 0 0 0 0 0 2529 2 133 17 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 4o6w
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1q4k
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%
4o9w
RCSB PDB
PDBbind
222aa, >4O9W_1|Chain... at 100%
4rcp
RCSB PDB
PDBbind
228aa, >4RCP_1|Chain... at 100%
4whh
RCSB PDB
PDBbind
237aa, >4WHH_1|Chain... at 98%
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
1bm2
RCSB PDB
PDBbind
7-mer
1bzh
RCSB PDB
PDBbind
7-mer
1ekb
RCSB PDB
PDBbind
7-mer
1evh
RCSB PDB
PDBbind
7-mer
1f8a
RCSB PDB
PDBbind
7-mer
1fhr
RCSB PDB
PDBbind
7-mer
1fkn
RCSB PDB
PDBbind
7-mer
1j4k
RCSB PDB
PDBbind
7-mer
1joj
RCSB PDB
PDBbind
7-mer
1m4h
RCSB PDB
PDBbind
7-mer
1n7t
RCSB PDB
PDBbind
7-mer
1nlt
RCSB PDB
PDBbind
7-mer
1oh4
RCSB PDB
PDBbind
7-mer
1okw
RCSB PDB
PDBbind
7-mer
1pip
RCSB PDB
PDBbind
7-mer
1py1
RCSB PDB
PDBbind
7-mer
1q5l
RCSB PDB
PDBbind
7-mer
1qsc
RCSB PDB
PDBbind
7-mer
1rzx
RCSB PDB
PDBbind
7-mer
1slg
RCSB PDB
PDBbind
7-mer
1sts
RCSB PDB
PDBbind
7-mer
1tze
RCSB PDB
PDBbind
7-mer
1umw
RCSB PDB
PDBbind
7-mer
1vwn
RCSB PDB
PDBbind
7-mer
2er6
RCSB PDB
PDBbind
7-mer
2joa
RCSB PDB
PDBbind
7-mer
2l7u
RCSB PDB
PDBbind
7-mer
2mip
RCSB PDB
PDBbind
7-mer
2nmb
RCSB PDB
PDBbind
7-mer
2pem
RCSB PDB
PDBbind
7-mer
2pv1
RCSB PDB
PDBbind
7-mer
2q3z
RCSB PDB
PDBbind
7-mer
2w6u
RCSB PDB
PDBbind
7-mer
2w78
RCSB PDB
PDBbind
7-mer
2xqq
RCSB PDB
PDBbind
7-mer
2zlf
RCSB PDB
PDBbind
7-mer
3dda
RCSB PDB
PDBbind
7-mer
3ddb
RCSB PDB
PDBbind
7-mer
3fvh
RCSB PDB
PDBbind
7-mer
3ifl
RCSB PDB
PDBbind
7-mer
3ifo
RCSB PDB
PDBbind
7-mer
3ifp
RCSB PDB
PDBbind
7-mer
3l81
RCSB PDB
PDBbind
7-mer
3nzi
RCSB PDB
PDBbind
7-mer
3ole
RCSB PDB
PDBbind
7-mer
3olg
RCSB PDB
PDBbind
7-mer
3oli
RCSB PDB
PDBbind
7-mer
3rq7
RCSB PDB
PDBbind
7-mer
3rul
RCSB PDB
PDBbind
7-mer
3rum
RCSB PDB
PDBbind
7-mer
3run
RCSB PDB
PDBbind
7-mer
3stj
RCSB PDB
PDBbind
7-mer
3t6r
RCSB PDB
PDBbind
7-mer
3upv
RCSB PDB
PDBbind
7-mer
3uqr
RCSB PDB
PDBbind
7-mer
3vb6
RCSB PDB
PDBbind
7-mer
3vfj
RCSB PDB
PDBbind
7-mer
3wdc
RCSB PDB
PDBbind
7-mer
3wdd
RCSB PDB
PDBbind
7-mer
3wde
RCSB PDB
PDBbind
7-mer
4aif
RCSB PDB
PDBbind
7-mer
4dfw
RCSB PDB
PDBbind
7-mer
4dvf
RCSB PDB
PDBbind
7-mer
4eqf
RCSB PDB
PDBbind
7-mer
4ezw
RCSB PDB
PDBbind
7-mer
4ezx
RCSB PDB
PDBbind
7-mer
4ezy
RCSB PDB
PDBbind
7-mer
4ezz
RCSB PDB
PDBbind
7-mer
4fbx
RCSB PDB
PDBbind
7-mer
4fgx
RCSB PDB
PDBbind
7-mer
4gne
RCSB PDB
PDBbind
7-mer
4gpl
RCSB PDB
PDBbind
7-mer
4igk
RCSB PDB
PDBbind
7-mer
4j73
RCSB PDB
PDBbind
7-mer
4lp9
RCSB PDB
PDBbind
7-mer
4mn3
RCSB PDB
PDBbind
7-mer
4onf
RCSB PDB
PDBbind
7-mer
4tky
RCSB PDB
PDBbind
7-mer
4u0g
RCSB PDB
PDBbind
7-mer
6iso
RCSB PDB
PDBbind
7-mer
4x3i
RCSB PDB
PDBbind
7-mer
4x3k
RCSB PDB
PDBbind
7-mer
4y32
RCSB PDB
PDBbind
7-mer
4y3b
RCSB PDB
PDBbind
7-mer
5cs2
RCSB PDB
PDBbind
7-mer
5hjd
RCSB PDB
PDBbind
7-mer
5j5x
RCSB PDB
PDBbind
7-mer
5lyn
RCSB PDB
PDBbind
7-mer
5m63
RCSB PDB
PDBbind
7-mer
5n7g
RCSB PDB
PDBbind
7-mer
5ovc
RCSB PDB
PDBbind
7-mer
5ovp
RCSB PDB
PDBbind
7-mer
5ovv
RCSB PDB
PDBbind
7-mer
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Entry Information
PDB ID
4o6w
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Serine/threonine-protein kinase PLK1 PBD
Ligand Name
7-mer
EC.Number
E.C.2.7.11.21
Resolution
1.45(Å)
Affinity (Kd/Ki/IC50)
Kd=3nM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Biopolymers Vol. 102: pp. 444-455
Ligand Properties
Formula
C
4
1
H
6
7
N
8
O
1
1
P
Molecular Weight
878.991
Exact Mass
878.467
No. of atoms
128
No. of bonds
130
Polar Surface Area
293.4
LOGP Value
1.19 (
Computed with XLOGP3
)
2.97 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 31
No. of Nitrogen and Oxygen Atoms: 19
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](Cc1cn(cn1CCCCCCCCc1ccccc1)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)C)CC(C)C
InChI String
InChI=1S/C41H68N8O11P/c1-27(2)22-32(44-41(56)35-19-15-21-49(35)29(4)51)38(53)43-33(39(54)45-34(25-50)40(55)46-36(37(42)52)28(3)60-61(57,58)59)23-31-24-47(5)26-48(31)20-14-9-7-6-8-11-16-30-17-12-10-13-18-30/h10,12-13,17-18,24,26-28,32-36,50,57-59,61H,6-9,11,14-16,19-23,25H2,1-5H3,(H2,42,52)(H,43,53)(H,44,56)(H,45,54)(H,46,55)/t28-,32+,33+,34+,35+,36+/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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