Browse entries in the PDBbind-CN Database
HEADER 6BGG_COMPLEX COMPND 6BGG_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 B 88 ALA SER ALA SER TYR ASP SER GLU GLU GLU GLU GLU GLY SEQRES 2 B 88 LEU PRO MET SER TYR ASP GLU LYS ARG GLN LEU SER LEU SEQRES 3 B 88 ASP ILE ASN ARG LEU PRO GLY GLU LYS LEU GLY ARG VAL SEQRES 4 B 88 VAL HIS ILE ILE GLN SER ARG GLU PRO SER LEU ARG ASP SEQRES 5 B 88 SER ASN PRO ASP GLU ILE GLU ILE ASP PHE GLU THR LEU SEQRES 6 B 88 LYS PRO THR THR LEU ARG GLU LEU GLU ARG TYR VAL LYS SEQRES 7 B 88 SER CYS LEU GLN LYS LYS GLN ARG LYS PRO HET LYS A 89 200 ATOM 1 N ALA B 557 35.120 10.689 1.622 1.00 0.00 N ATOM 2 CA ALA B 557 35.890 10.977 0.420 1.00 0.00 C ATOM 3 C ALA B 557 35.197 10.383 -0.795 1.00 0.00 C ATOM 4 O ALA B 557 35.334 10.871 -1.925 1.00 0.00 O ATOM 5 CB ALA B 557 37.300 10.424 0.553 1.00 0.00 C ATOM 6 HN3 ALA B 557 35.040 9.659 1.742 1.00 0.00 H ATOM 7 HN2 ALA B 557 34.171 11.104 1.532 1.00 0.00 H ATOM 8 HN1 ALA B 557 35.602 11.099 2.447 1.00 0.00 H ATOM 9 N SER B 558 34.466 9.333 -0.571 1.00 0.00 N ATOM 10 CA SER B 558 33.723 8.679 -1.607 1.00 0.00 C ATOM 11 C SER B 558 32.463 8.077 -1.024 1.00 0.00 C ATOM 12 O SER B 558 32.532 7.383 -0.007 1.00 0.00 O ATOM 13 CB SER B 558 34.583 7.596 -2.271 1.00 0.00 C ATOM 14 OG SER B 558 35.773 8.162 -2.838 1.00 0.00 O ATOM 15 HG SER B 558 36.303 8.596 -2.124 1.00 0.00 H ATOM 16 H SER B 558 34.418 8.953 0.396 1.00 0.00 H ATOM 17 N ALA B 559 31.320 8.384 -1.635 1.00 0.00 N ATOM 18 CA ALA B 559 30.038 7.824 -1.217 1.00 0.00 C ATOM 19 C ALA B 559 30.113 6.302 -1.268 1.00 0.00 C ATOM 20 O ALA B 559 30.580 5.728 -2.260 1.00 0.00 O ATOM 21 CB ALA B 559 28.919 8.336 -2.115 1.00 0.00 C ATOM 22 H ALA B 559 31.341 9.045 -2.437 1.00 0.00 H ATOM 23 N SER B 560 29.679 5.664 -0.222 1.00 0.00 N ATOM 24 CA SER B 560 29.805 4.223 -0.087 1.00 0.00 C ATOM 25 C SER B 560 28.719 3.481 -0.862 1.00 0.00 C ATOM 26 O SER B 560 28.798 2.251 -1.025 1.00 0.00 O ATOM 27 CB SER B 560 29.724 3.854 1.389 1.00 0.00 C ATOM 28 OG SER B 560 30.548 4.712 2.170 1.00 0.00 O ATOM 29 HG SER B 560 30.480 4.455 3.124 1.00 0.00 H ATOM 30 H SER B 560 29.227 6.203 0.544 1.00 0.00 H ATOM 31 N TYR B 561 27.724 4.230 -1.329 1.00 0.00 N ATOM 32 CA TYR B 561 26.561 3.692 -2.011 1.00 0.00 C ATOM 33 C TYR B 561 25.841 2.758 -1.095 1.00 0.00 C ATOM 34 O TYR B 561 26.002 1.528 -1.120 1.00 0.00 O ATOM 35 CB TYR B 561 26.896 3.074 -3.346 1.00 0.00 C ATOM 36 CG TYR B 561 26.181 3.742 -4.488 1.00 0.00 C ATOM 37 CD1 TYR B 561 26.483 5.047 -4.841 1.00 0.00 C ATOM 38 CD2 TYR B 561 25.200 3.076 -5.203 1.00 0.00 C ATOM 39 CE1 TYR B 561 25.817 5.680 -5.876 1.00 0.00 C ATOM 40 CE2 TYR B 561 24.533 3.692 -6.240 1.00 0.00 C ATOM 41 CZ TYR B 561 24.844 4.995 -6.577 1.00 0.00 C ATOM 42 OH TYR B 561 24.157 5.627 -7.609 1.00 0.00 O ATOM 43 HH TYR B 561 24.502 6.549 -7.718 1.00 0.00 H ATOM 44 H TYR B 561 27.783 5.260 -1.198 1.00 0.00 H ATOM 45 N ASP B 562 25.117 3.373 -0.246 1.00 0.00 N ATOM 46 CA ASP B 562 24.450 2.737 0.848 1.00 0.00 C ATOM 47 C ASP B 562 23.268 1.968 0.391 1.00 0.00 C ATOM 48 O ASP B 562 22.421 2.476 -0.355 1.00 0.00 O ATOM 49 CB ASP B 562 24.029 3.756 1.910 1.00 0.00 C ATOM 50 CG ASP B 562 25.194 4.407 2.611 1.00 0.00 C ATOM 51 OD1 ASP B 562 25.695 5.447 2.136 1.00 0.00 O ATOM 52 OD2 ASP B 562 25.619 3.903 3.675 1.00 0.00 O ATOM 53 H ASP B 562 25.004 4.401 -0.355 1.00 0.00 H ATOM 54 N SER B 563 23.218 0.756 0.806 1.00 0.00 N ATOM 55 CA SER B 563 22.128 -0.083 0.528 1.00 0.00 C ATOM 56 C SER B 563 21.485 -0.381 1.852 1.00 0.00 C ATOM 57 O SER B 563 22.054 -1.082 2.703 1.00 0.00 O ATOM 58 CB SER B 563 22.581 -1.350 -0.158 1.00 0.00 C ATOM 59 OG SER B 563 23.436 -1.052 -1.255 1.00 0.00 O ATOM 60 HG SER B 563 23.720 -1.895 -1.689 1.00 0.00 H ATOM 61 H SER B 563 24.010 0.383 1.367 1.00 0.00 H ATOM 62 N GLU B 564 20.350 0.164 2.034 1.00 0.00 N ATOM 63 CA GLU B 564 19.710 0.144 3.300 1.00 0.00 C ATOM 64 C GLU B 564 18.633 -0.896 3.399 1.00 0.00 C ATOM 65 O GLU B 564 18.272 -1.562 2.418 1.00 0.00 O ATOM 66 CB GLU B 564 19.153 1.511 3.617 1.00 0.00 C ATOM 67 CG GLU B 564 20.205 2.563 3.863 1.00 0.00 C ATOM 68 CD GLU B 564 21.090 2.225 5.029 1.00 0.00 C ATOM 69 OE1 GLU B 564 22.295 1.970 4.840 1.00 0.00 O ATOM 70 OE2 GLU B 564 20.591 2.198 6.169 1.00 0.00 O ATOM 71 H GLU B 564 19.880 0.636 1.235 1.00 0.00 H ATOM 72 N GLU B 565 18.120 -1.018 4.584 1.00 0.00 N ATOM 73 CA GLU B 565 17.077 -1.950 4.891 1.00 0.00 C ATOM 74 C GLU B 565 16.018 -1.188 5.699 1.00 0.00 C ATOM 75 O GLU B 565 15.466 -1.672 6.704 1.00 0.00 O ATOM 76 CB GLU B 565 17.658 -3.129 5.694 1.00 0.00 C ATOM 77 CG GLU B 565 16.718 -4.320 5.818 1.00 0.00 C ATOM 78 CD GLU B 565 17.268 -5.411 6.692 1.00 0.00 C ATOM 79 OE1 GLU B 565 18.085 -6.228 6.212 1.00 0.00 O ATOM 80 OE2 GLU B 565 16.886 -5.480 7.877 1.00 0.00 O ATOM 81 H GLU B 565 18.483 -0.411 5.346 1.00 0.00 H ATOM 82 N GLU B 566 15.758 0.023 5.266 1.00 0.00 N ATOM 83 CA GLU B 566 14.777 0.859 5.905 1.00 0.00 C ATOM 84 C GLU B 566 13.432 0.655 5.258 1.00 0.00 C ATOM 85 O GLU B 566 13.118 1.313 4.276 1.00 0.00 O ATOM 86 CB GLU B 566 15.147 2.333 5.813 1.00 0.00 C ATOM 87 CG GLU B 566 16.448 2.704 6.464 1.00 0.00 C ATOM 88 CD GLU B 566 16.667 4.184 6.425 1.00 0.00 C ATOM 89 OE1 GLU B 566 16.174 4.881 7.336 1.00 0.00 O ATOM 90 OE2 GLU B 566 17.343 4.686 5.506 1.00 0.00 O ATOM 91 H GLU B 566 16.274 0.388 4.440 1.00 0.00 H ATOM 92 N GLU B 567 12.664 -0.272 5.788 1.00 0.00 N ATOM 93 CA GLU B 567 11.333 -0.577 5.275 1.00 0.00 C ATOM 94 C GLU B 567 10.478 0.673 5.204 1.00 0.00 C ATOM 95 O GLU B 567 10.013 1.079 4.146 1.00 0.00 O ATOM 96 CB GLU B 567 10.657 -1.631 6.158 1.00 0.00 C ATOM 97 CG GLU B 567 11.286 -3.009 6.074 1.00 0.00 C ATOM 98 CD GLU B 567 11.079 -3.647 4.726 1.00 0.00 C ATOM 99 OE1 GLU B 567 9.963 -4.098 4.434 1.00 0.00 O ATOM 100 OE2 GLU B 567 12.019 -3.727 3.927 1.00 0.00 O ATOM 101 H GLU B 567 13.020 -0.809 6.605 1.00 0.00 H ATOM 102 N GLU B 568 10.360 1.306 6.316 1.00 0.00 N ATOM 103 CA GLU B 568 9.534 2.486 6.476 1.00 0.00 C ATOM 104 C GLU B 568 10.305 3.755 6.100 1.00 0.00 C ATOM 105 O GLU B 568 9.913 4.861 6.494 1.00 0.00 O ATOM 106 CB GLU B 568 9.078 2.640 7.932 1.00 0.00 C ATOM 107 CG GLU B 568 8.815 1.357 8.701 1.00 0.00 C ATOM 108 CD GLU B 568 10.068 0.872 9.403 1.00 0.00 C ATOM 109 OE1 GLU B 568 11.003 0.397 8.729 1.00 0.00 O ATOM 110 OE2 GLU B 568 10.160 1.014 10.640 1.00 0.00 O ATOM 111 H GLU B 568 10.884 0.954 7.143 1.00 0.00 H ATOM 112 N GLY B 569 11.378 3.615 5.363 1.00 0.00 N ATOM 113 CA GLY B 569 12.150 4.781 5.007 1.00 0.00 C ATOM 114 C GLY B 569 12.637 4.769 3.583 1.00 0.00 C ATOM 115 O GLY B 569 13.309 5.711 3.141 1.00 0.00 O ATOM 116 H GLY B 569 11.671 2.672 5.037 1.00 0.00 H ATOM 117 N LEU B 570 12.304 3.737 2.855 1.00 0.00 N ATOM 118 CA LEU B 570 12.726 3.641 1.483 1.00 0.00 C ATOM 119 C LEU B 570 11.697 4.243 0.542 1.00 0.00 C ATOM 120 O LEU B 570 10.488 4.134 0.781 1.00 0.00 O ATOM 121 CB LEU B 570 13.125 2.179 1.091 1.00 0.00 C ATOM 122 CG LEU B 570 12.106 1.023 1.319 1.00 0.00 C ATOM 123 CD1 LEU B 570 10.926 1.062 0.358 1.00 0.00 C ATOM 124 CD2 LEU B 570 12.810 -0.312 1.223 1.00 0.00 C ATOM 125 H LEU B 570 11.728 2.977 3.271 1.00 0.00 H ATOM 126 N PRO B 571 12.146 4.952 -0.491 1.00 0.00 N ATOM 127 CA PRO B 571 11.253 5.457 -1.500 1.00 0.00 C ATOM 128 C PRO B 571 10.773 4.311 -2.386 1.00 0.00 C ATOM 129 O PRO B 571 11.575 3.503 -2.885 1.00 0.00 O ATOM 130 CB PRO B 571 12.099 6.447 -2.301 1.00 0.00 C ATOM 131 CG PRO B 571 13.516 6.039 -2.066 1.00 0.00 C ATOM 132 CD PRO B 571 13.553 5.341 -0.732 1.00 0.00 C ATOM 133 N MET B 572 9.488 4.216 -2.548 1.00 0.00 N ATOM 134 CA MET B 572 8.902 3.156 -3.337 1.00 0.00 C ATOM 135 C MET B 572 8.720 3.613 -4.751 1.00 0.00 C ATOM 136 O MET B 572 8.339 4.764 -5.000 1.00 0.00 O ATOM 137 CB MET B 572 7.582 2.682 -2.728 1.00 0.00 C ATOM 138 CG MET B 572 7.751 2.039 -1.357 1.00 0.00 C ATOM 139 SD MET B 572 6.196 1.540 -0.598 1.00 0.00 S ATOM 140 CE MET B 572 5.605 0.329 -1.770 1.00 0.00 C ATOM 141 H MET B 572 8.866 4.919 -2.100 1.00 0.00 H ATOM 142 N SER B 573 8.996 2.733 -5.667 1.00 0.00 N ATOM 143 CA SER B 573 8.939 3.024 -7.067 1.00 0.00 C ATOM 144 C SER B 573 7.490 3.035 -7.518 1.00 0.00 C ATOM 145 O SER B 573 6.624 2.467 -6.838 1.00 0.00 O ATOM 146 CB SER B 573 9.754 1.959 -7.830 1.00 0.00 C ATOM 147 OG SER B 573 9.705 2.137 -9.240 1.00 0.00 O ATOM 148 HG SER B 573 10.242 1.431 -9.679 1.00 0.00 H ATOM 149 H SER B 573 9.270 1.775 -5.369 1.00 0.00 H ATOM 150 N TYR B 574 7.221 3.671 -8.649 1.00 0.00 N ATOM 151 CA TYR B 574 5.873 3.717 -9.209 1.00 0.00 C ATOM 152 C TYR B 574 5.393 2.307 -9.485 1.00 0.00 C ATOM 153 O TYR B 574 4.230 1.990 -9.296 1.00 0.00 O ATOM 154 CB TYR B 574 5.835 4.542 -10.493 1.00 0.00 C ATOM 155 CG TYR B 574 6.220 5.986 -10.306 1.00 0.00 C ATOM 156 CD1 TYR B 574 7.473 6.448 -10.677 1.00 0.00 C ATOM 157 CD2 TYR B 574 5.328 6.887 -9.758 1.00 0.00 C ATOM 158 CE1 TYR B 574 7.820 7.772 -10.510 1.00 0.00 C ATOM 159 CE2 TYR B 574 5.665 8.208 -9.584 1.00 0.00 C ATOM 160 CZ TYR B 574 6.912 8.648 -9.962 1.00 0.00 C ATOM 161 OH TYR B 574 7.248 9.982 -9.799 1.00 0.00 O ATOM 162 HH TYR B 574 8.173 10.129 -10.119 1.00 0.00 H ATOM 163 H TYR B 574 7.993 4.152 -9.153 1.00 0.00 H ATOM 164 N ASP B 575 6.333 1.461 -9.876 1.00 0.00 N ATOM 165 CA ASP B 575 6.073 0.048 -10.131 1.00 0.00 C ATOM 166 C ASP B 575 5.615 -0.657 -8.859 1.00 0.00 C ATOM 167 O ASP B 575 4.635 -1.422 -8.872 1.00 0.00 O ATOM 168 CB ASP B 575 7.326 -0.627 -10.683 1.00 0.00 C ATOM 169 CG ASP B 575 7.141 -2.107 -10.899 1.00 0.00 C ATOM 170 OD1 ASP B 575 7.754 -2.907 -10.157 1.00 0.00 O ATOM 171 OD2 ASP B 575 6.377 -2.492 -11.802 1.00 0.00 O ATOM 172 H ASP B 575 7.300 1.820 -10.007 1.00 0.00 H ATOM 173 N GLU B 576 6.309 -0.375 -7.759 1.00 0.00 N ATOM 174 CA GLU B 576 5.974 -0.918 -6.460 1.00 0.00 C ATOM 175 C GLU B 576 4.603 -0.452 -6.025 1.00 0.00 C ATOM 176 O GLU B 576 3.765 -1.248 -5.626 1.00 0.00 O ATOM 177 CB GLU B 576 7.004 -0.501 -5.442 1.00 0.00 C ATOM 178 CG GLU B 576 8.376 -0.999 -5.775 1.00 0.00 C ATOM 179 CD GLU B 576 9.377 -0.641 -4.730 1.00 0.00 C ATOM 180 OE1 GLU B 576 9.451 -1.334 -3.710 1.00 0.00 O ATOM 181 OE2 GLU B 576 10.110 0.344 -4.929 1.00 0.00 O ATOM 182 H GLU B 576 7.127 0.263 -7.836 1.00 0.00 H ATOM 183 N LYS B 577 4.375 0.846 -6.143 1.00 0.00 N ATOM 184 CA LYS B 577 3.095 1.452 -5.791 1.00 0.00 C ATOM 185 C LYS B 577 1.966 0.837 -6.633 1.00 0.00 C ATOM 186 O LYS B 577 0.866 0.580 -6.137 1.00 0.00 O ATOM 187 CB LYS B 577 3.141 2.957 -6.031 1.00 0.00 C ATOM 188 CG LYS B 577 4.234 3.695 -5.277 1.00 0.00 C ATOM 189 CD LYS B 577 4.157 5.189 -5.538 1.00 0.00 C ATOM 190 CE LYS B 577 5.281 5.940 -4.857 1.00 0.00 C ATOM 191 NZ LYS B 577 5.037 7.404 -4.862 1.00 0.00 N ATOM 192 HZ1 LYS B 577 4.964 7.739 -5.844 1.00 0.00 H ATOM 193 HZ2 LYS B 577 4.151 7.608 -4.358 1.00 0.00 H ATOM 194 HZ3 LYS B 577 5.826 7.887 -4.388 1.00 0.00 H ATOM 195 H LYS B 577 5.137 1.457 -6.500 1.00 0.00 H ATOM 196 N ARG B 578 2.255 0.630 -7.912 1.00 0.00 N ATOM 197 CA ARG B 578 1.330 -0.009 -8.842 1.00 0.00 C ATOM 198 C ARG B 578 0.948 -1.385 -8.326 1.00 0.00 C ATOM 199 O ARG B 578 -0.234 -1.713 -8.238 1.00 0.00 O ATOM 200 CB ARG B 578 1.966 -0.132 -10.234 1.00 0.00 C ATOM 201 CG ARG B 578 1.058 -0.719 -11.316 1.00 0.00 C ATOM 202 CD ARG B 578 -0.146 0.175 -11.583 1.00 0.00 C ATOM 203 NE ARG B 578 0.256 1.541 -11.958 1.00 0.00 N ATOM 204 CZ ARG B 578 -0.587 2.552 -12.181 1.00 0.00 C ATOM 205 NH1 ARG B 578 -1.899 2.339 -12.154 1.00 0.00 N ATOM 206 NH2 ARG B 578 -0.108 3.767 -12.434 1.00 0.00 N ATOM 207 HE ARG B 578 1.273 1.733 -12.057 1.00 0.00 H ATOM 208 HH12 ARG B 578 -2.557 3.125 -12.327 1.00 0.00 H ATOM 209 HH11 ARG B 578 -2.267 1.386 -11.959 1.00 0.00 H ATOM 210 HH22 ARG B 578 -0.761 4.557 -12.608 1.00 0.00 H ATOM 211 HH21 ARG B 578 0.919 3.926 -12.457 1.00 0.00 H ATOM 212 H ARG B 578 3.183 0.937 -8.267 1.00 0.00 H ATOM 213 N GLN B 579 1.954 -2.166 -7.948 1.00 0.00 N ATOM 214 CA GLN B 579 1.730 -3.493 -7.410 1.00 0.00 C ATOM 215 C GLN B 579 0.946 -3.459 -6.142 1.00 0.00 C ATOM 216 O GLN B 579 0.080 -4.285 -5.954 1.00 0.00 O ATOM 217 CB GLN B 579 3.018 -4.291 -7.259 1.00 0.00 C ATOM 218 CG GLN B 579 3.218 -5.290 -8.383 1.00 0.00 C ATOM 219 CD GLN B 579 2.386 -6.584 -8.235 1.00 0.00 C ATOM 220 OE1 GLN B 579 2.779 -7.629 -8.744 1.00 0.00 O ATOM 221 NE2 GLN B 579 1.293 -6.557 -7.497 1.00 0.00 N ATOM 222 HE22 GLN B 579 0.974 -5.663 -7.073 1.00 0.00 H ATOM 223 HE21 GLN B 579 0.750 -7.430 -7.339 1.00 0.00 H ATOM 224 H GLN B 579 2.929 -1.816 -8.041 1.00 0.00 H ATOM 225 N LEU B 580 1.215 -2.479 -5.317 1.00 0.00 N ATOM 226 CA LEU B 580 0.489 -2.274 -4.073 1.00 0.00 C ATOM 227 C LEU B 580 -1.003 -2.154 -4.303 1.00 0.00 C ATOM 228 O LEU B 580 -1.797 -2.756 -3.585 1.00 0.00 O ATOM 229 CB LEU B 580 1.000 -1.035 -3.355 1.00 0.00 C ATOM 230 CG LEU B 580 1.894 -1.268 -2.155 1.00 0.00 C ATOM 231 CD1 LEU B 580 1.088 -1.917 -1.050 1.00 0.00 C ATOM 232 CD2 LEU B 580 3.085 -2.138 -2.532 1.00 0.00 C ATOM 233 H LEU B 580 1.980 -1.819 -5.561 1.00 0.00 H ATOM 234 N SER B 581 -1.379 -1.409 -5.321 1.00 0.00 N ATOM 235 CA SER B 581 -2.770 -1.225 -5.629 1.00 0.00 C ATOM 236 C SER B 581 -3.380 -2.550 -6.099 1.00 0.00 C ATOM 237 O SER B 581 -4.529 -2.854 -5.799 1.00 0.00 O ATOM 238 CB SER B 581 -2.949 -0.128 -6.688 1.00 0.00 C ATOM 239 OG SER B 581 -4.325 0.155 -6.918 1.00 0.00 O ATOM 240 HG SER B 581 -4.405 0.864 -7.604 1.00 0.00 H ATOM 241 H SER B 581 -0.658 -0.947 -5.911 1.00 0.00 H ATOM 242 N LEU B 582 -2.587 -3.342 -6.795 1.00 0.00 N ATOM 243 CA LEU B 582 -3.033 -4.625 -7.299 1.00 0.00 C ATOM 244 C LEU B 582 -3.185 -5.593 -6.146 1.00 0.00 C ATOM 245 O LEU B 582 -4.188 -6.278 -6.037 1.00 0.00 O ATOM 246 CB LEU B 582 -2.027 -5.181 -8.313 1.00 0.00 C ATOM 247 CG LEU B 582 -1.626 -4.244 -9.458 1.00 0.00 C ATOM 248 CD1 LEU B 582 -0.596 -4.904 -10.350 1.00 0.00 C ATOM 249 CD2 LEU B 582 -2.838 -3.813 -10.268 1.00 0.00 C ATOM 250 H LEU B 582 -1.612 -3.036 -6.988 1.00 0.00 H ATOM 251 N ASP B 583 -2.197 -5.602 -5.268 1.00 0.00 N ATOM 252 CA ASP B 583 -2.167 -6.495 -4.116 1.00 0.00 C ATOM 253 C ASP B 583 -3.279 -6.203 -3.147 1.00 0.00 C ATOM 254 O ASP B 583 -3.827 -7.112 -2.536 1.00 0.00 O ATOM 255 CB ASP B 583 -0.807 -6.490 -3.418 1.00 0.00 C ATOM 256 CG ASP B 583 0.297 -7.105 -4.256 1.00 0.00 C ATOM 257 OD1 ASP B 583 1.344 -6.474 -4.435 1.00 0.00 O ATOM 258 OD2 ASP B 583 0.125 -8.242 -4.769 1.00 0.00 O ATOM 259 H ASP B 583 -1.405 -4.942 -5.405 1.00 0.00 H ATOM 260 N ILE B 584 -3.630 -4.945 -3.022 1.00 0.00 N ATOM 261 CA ILE B 584 -4.752 -4.555 -2.201 1.00 0.00 C ATOM 262 C ILE B 584 -6.068 -5.054 -2.800 1.00 0.00 C ATOM 263 O ILE B 584 -6.935 -5.550 -2.082 1.00 0.00 O ATOM 264 CB ILE B 584 -4.769 -3.026 -1.940 1.00 0.00 C ATOM 265 CG1 ILE B 584 -3.652 -2.670 -0.957 1.00 0.00 C ATOM 266 CG2 ILE B 584 -6.125 -2.517 -1.458 1.00 0.00 C ATOM 267 CD1 ILE B 584 -3.690 -1.252 -0.475 1.00 0.00 C ATOM 268 H ILE B 584 -3.089 -4.213 -3.525 1.00 0.00 H ATOM 269 N ASN B 585 -6.188 -4.994 -4.118 1.00 0.00 N ATOM 270 CA ASN B 585 -7.391 -5.500 -4.773 1.00 0.00 C ATOM 271 C ASN B 585 -7.401 -7.013 -4.783 1.00 0.00 C ATOM 272 O ASN B 585 -8.436 -7.632 -4.978 1.00 0.00 O ATOM 273 CB ASN B 585 -7.606 -4.937 -6.188 1.00 0.00 C ATOM 274 CG ASN B 585 -8.104 -3.498 -6.199 1.00 0.00 C ATOM 275 OD1 ASN B 585 -7.327 -2.552 -6.265 1.00 0.00 O ATOM 276 ND2 ASN B 585 -9.406 -3.330 -6.137 1.00 0.00 N ATOM 277 HD22 ASN B 585 -10.035 -4.156 -6.082 1.00 0.00 H ATOM 278 HD21 ASN B 585 -9.807 -2.371 -6.143 1.00 0.00 H ATOM 279 H ASN B 585 -5.421 -4.584 -4.689 1.00 0.00 H ATOM 280 N ARG B 586 -6.230 -7.601 -4.575 1.00 0.00 N ATOM 281 CA ARG B 586 -6.089 -9.046 -4.435 1.00 0.00 C ATOM 282 C ARG B 586 -6.632 -9.525 -3.085 1.00 0.00 C ATOM 283 O ARG B 586 -6.921 -10.720 -2.898 1.00 0.00 O ATOM 284 CB ARG B 586 -4.625 -9.485 -4.595 1.00 0.00 C ATOM 285 CG ARG B 586 -4.088 -9.403 -6.014 1.00 0.00 C ATOM 286 CD ARG B 586 -2.604 -9.750 -6.074 1.00 0.00 C ATOM 287 NE ARG B 586 -2.129 -9.877 -7.454 1.00 0.00 N ATOM 288 CZ ARG B 586 -0.848 -9.960 -7.842 1.00 0.00 C ATOM 289 NH1 ARG B 586 0.147 -9.624 -7.013 1.00 0.00 N ATOM 290 NH2 ARG B 586 -0.576 -10.299 -9.096 1.00 0.00 N ATOM 291 HE ARG B 586 -2.852 -9.905 -8.201 1.00 0.00 H ATOM 292 HH12 ARG B 586 1.135 -9.695 -7.331 1.00 0.00 H ATOM 293 HH11 ARG B 586 -0.067 -9.292 -6.051 1.00 0.00 H ATOM 294 HH22 ARG B 586 0.412 -10.368 -9.413 1.00 0.00 H ATOM 295 HH21 ARG B 586 -1.351 -10.496 -9.761 1.00 0.00 H ATOM 296 H ARG B 586 -5.378 -7.008 -4.509 1.00 0.00 H ATOM 297 N LEU B 587 -6.757 -8.610 -2.149 1.00 0.00 N ATOM 298 CA LEU B 587 -7.267 -8.935 -0.842 1.00 0.00 C ATOM 299 C LEU B 587 -8.785 -8.861 -0.830 1.00 0.00 C ATOM 300 O LEU B 587 -9.380 -8.007 -1.504 1.00 0.00 O ATOM 301 CB LEU B 587 -6.723 -7.985 0.234 1.00 0.00 C ATOM 302 CG LEU B 587 -5.210 -7.911 0.420 1.00 0.00 C ATOM 303 CD1 LEU B 587 -4.888 -7.064 1.628 1.00 0.00 C ATOM 304 CD2 LEU B 587 -4.589 -9.289 0.552 1.00 0.00 C ATOM 305 H LEU B 587 -6.481 -7.629 -2.357 1.00 0.00 H ATOM 306 N PRO B 588 -9.445 -9.775 -0.112 1.00 0.00 N ATOM 307 CA PRO B 588 -10.881 -9.715 0.076 1.00 0.00 C ATOM 308 C PRO B 588 -11.226 -8.618 1.094 1.00 0.00 C ATOM 309 O PRO B 588 -10.348 -8.181 1.865 1.00 0.00 O ATOM 310 CB PRO B 588 -11.226 -11.101 0.635 1.00 0.00 C ATOM 311 CG PRO B 588 -9.985 -11.552 1.321 1.00 0.00 C ATOM 312 CD PRO B 588 -8.844 -10.955 0.548 1.00 0.00 C ATOM 313 N GLY B 589 -12.487 -8.201 1.122 1.00 0.00 N ATOM 314 CA GLY B 589 -12.932 -7.119 2.007 1.00 0.00 C ATOM 315 C GLY B 589 -12.605 -7.365 3.471 1.00 0.00 C ATOM 316 O GLY B 589 -12.288 -6.430 4.211 1.00 0.00 O ATOM 317 H GLY B 589 -13.181 -8.657 0.496 1.00 0.00 H ATOM 318 N GLU B 590 -12.637 -8.630 3.852 1.00 0.00 N ATOM 319 CA GLU B 590 -12.328 -9.088 5.200 1.00 0.00 C ATOM 320 C GLU B 590 -10.901 -8.677 5.613 1.00 0.00 C ATOM 321 O GLU B 590 -10.630 -8.343 6.774 1.00 0.00 O ATOM 322 CB GLU B 590 -12.432 -10.608 5.224 1.00 0.00 C ATOM 323 CG GLU B 590 -12.266 -11.216 6.589 1.00 0.00 C ATOM 324 CD GLU B 590 -12.174 -12.708 6.545 1.00 0.00 C ATOM 325 OE1 GLU B 590 -13.163 -13.376 6.189 1.00 0.00 O ATOM 326 OE2 GLU B 590 -11.104 -13.248 6.879 1.00 0.00 O ATOM 327 H GLU B 590 -12.900 -9.345 3.144 1.00 0.00 H ATOM 328 N LYS B 591 -10.002 -8.700 4.663 1.00 0.00 N ATOM 329 CA LYS B 591 -8.616 -8.387 4.922 1.00 0.00 C ATOM 330 C LYS B 591 -8.296 -6.956 4.557 1.00 0.00 C ATOM 331 O LYS B 591 -7.383 -6.339 5.118 1.00 0.00 O ATOM 332 CB LYS B 591 -7.727 -9.383 4.228 1.00 0.00 C ATOM 333 CG LYS B 591 -7.945 -10.774 4.781 1.00 0.00 C ATOM 334 CD LYS B 591 -7.007 -11.753 4.180 1.00 0.00 C ATOM 335 CE LYS B 591 -7.198 -13.135 4.776 1.00 0.00 C ATOM 336 NZ LYS B 591 -6.288 -14.133 4.180 1.00 0.00 N ATOM 337 HZ1 LYS B 591 -6.466 -14.195 3.157 1.00 0.00 H ATOM 338 HZ2 LYS B 591 -5.303 -13.844 4.345 1.00 0.00 H ATOM 339 HZ3 LYS B 591 -6.457 -15.060 4.620 1.00 0.00 H ATOM 340 H LYS B 591 -10.293 -8.950 3.696 1.00 0.00 H ATOM 341 N LEU B 592 -9.094 -6.409 3.655 1.00 0.00 N ATOM 342 CA LEU B 592 -9.007 -5.010 3.270 1.00 0.00 C ATOM 343 C LEU B 592 -9.226 -4.112 4.465 1.00 0.00 C ATOM 344 O LEU B 592 -8.633 -3.051 4.560 1.00 0.00 O ATOM 345 CB LEU B 592 -10.028 -4.702 2.187 1.00 0.00 C ATOM 346 CG LEU B 592 -9.527 -4.768 0.756 1.00 0.00 C ATOM 347 CD1 LEU B 592 -10.681 -4.979 -0.203 1.00 0.00 C ATOM 348 CD2 LEU B 592 -8.840 -3.467 0.422 1.00 0.00 C ATOM 349 H LEU B 592 -9.815 -7.006 3.202 1.00 0.00 H ATOM 350 N GLY B 593 -10.047 -4.580 5.395 1.00 0.00 N ATOM 351 CA GLY B 593 -10.337 -3.840 6.602 1.00 0.00 C ATOM 352 C GLY B 593 -9.095 -3.420 7.362 1.00 0.00 C ATOM 353 O GLY B 593 -9.044 -2.314 7.916 1.00 0.00 O ATOM 354 H GLY B 593 -10.496 -5.507 5.252 1.00 0.00 H ATOM 355 N ARG B 594 -8.069 -4.265 7.358 1.00 0.00 N ATOM 356 CA ARG B 594 -6.858 -3.930 8.055 1.00 0.00 C ATOM 357 C ARG B 594 -6.068 -2.897 7.299 1.00 0.00 C ATOM 358 O ARG B 594 -5.623 -1.922 7.893 1.00 0.00 O ATOM 359 CB ARG B 594 -5.992 -5.158 8.398 1.00 0.00 C ATOM 360 CG ARG B 594 -4.662 -4.807 9.069 1.00 0.00 C ATOM 361 CD ARG B 594 -4.906 -3.992 10.319 1.00 0.00 C ATOM 362 NE ARG B 594 -3.676 -3.555 10.998 1.00 0.00 N ATOM 363 CZ ARG B 594 -3.628 -2.524 11.863 1.00 0.00 C ATOM 364 NH1 ARG B 594 -4.756 -1.955 12.276 1.00 0.00 N ATOM 365 NH2 ARG B 594 -2.466 -2.107 12.351 1.00 0.00 N ATOM 366 HE ARG B 594 -2.795 -4.071 10.799 1.00 0.00 H ATOM 367 HH12 ARG B 594 -4.722 -1.159 12.944 1.00 0.00 H ATOM 368 HH11 ARG B 594 -5.672 -2.306 11.931 1.00 0.00 H ATOM 369 HH22 ARG B 594 -2.438 -1.310 13.019 1.00 0.00 H ATOM 370 HH21 ARG B 594 -1.583 -2.577 12.066 1.00 0.00 H ATOM 371 H ARG B 594 -8.143 -5.169 6.850 1.00 0.00 H ATOM 372 N VAL B 595 -5.939 -3.070 5.987 1.00 0.00 N ATOM 373 CA VAL B 595 -5.151 -2.135 5.200 1.00 0.00 C ATOM 374 C VAL B 595 -5.770 -0.735 5.259 1.00 0.00 C ATOM 375 O VAL B 595 -5.053 0.258 5.306 1.00 0.00 O ATOM 376 CB VAL B 595 -4.866 -2.612 3.733 1.00 0.00 C ATOM 377 CG1 VAL B 595 -6.094 -2.613 2.854 1.00 0.00 C ATOM 378 CG2 VAL B 595 -3.744 -1.809 3.104 1.00 0.00 C ATOM 379 H VAL B 595 -6.403 -3.876 5.522 1.00 0.00 H ATOM 380 N VAL B 596 -7.108 -0.682 5.334 1.00 0.00 N ATOM 381 CA VAL B 596 -7.827 0.581 5.504 1.00 0.00 C ATOM 382 C VAL B 596 -7.355 1.273 6.793 1.00 0.00 C ATOM 383 O VAL B 596 -6.966 2.440 6.765 1.00 0.00 O ATOM 384 CB VAL B 596 -9.384 0.380 5.556 1.00 0.00 C ATOM 385 CG1 VAL B 596 -10.111 1.704 5.748 1.00 0.00 C ATOM 386 CG2 VAL B 596 -9.892 -0.287 4.291 1.00 0.00 C ATOM 387 H VAL B 596 -7.652 -1.566 5.269 1.00 0.00 H ATOM 388 N HIS B 597 -7.290 0.511 7.895 1.00 0.00 N ATOM 389 CA HIS B 597 -6.887 1.057 9.191 1.00 0.00 C ATOM 390 C HIS B 597 -5.432 1.482 9.179 1.00 0.00 C ATOM 391 O HIS B 597 -5.061 2.475 9.819 1.00 0.00 O ATOM 392 CB HIS B 597 -7.135 0.060 10.338 1.00 0.00 C ATOM 393 CG HIS B 597 -8.573 -0.083 10.758 1.00 0.00 C ATOM 394 ND1 HIS B 597 -9.345 -1.208 10.540 1.00 0.00 N ATOM 395 CD2 HIS B 597 -9.357 0.770 11.465 1.00 0.00 C ATOM 396 CE1 HIS B 597 -10.536 -1.010 11.109 1.00 0.00 C ATOM 397 NE2 HIS B 597 -10.596 0.178 11.687 1.00 0.00 N ATOM 398 H HIS B 597 -7.533 -0.498 7.826 1.00 0.00 H ATOM 399 N ILE B 598 -4.618 0.747 8.429 1.00 0.00 N ATOM 400 CA ILE B 598 -3.203 1.047 8.290 1.00 0.00 C ATOM 401 C ILE B 598 -3.026 2.440 7.682 1.00 0.00 C ATOM 402 O ILE B 598 -2.192 3.234 8.134 1.00 0.00 O ATOM 403 CB ILE B 598 -2.465 -0.006 7.408 1.00 0.00 C ATOM 404 CG1 ILE B 598 -2.562 -1.405 8.031 1.00 0.00 C ATOM 405 CG2 ILE B 598 -1.007 0.386 7.210 1.00 0.00 C ATOM 406 CD1 ILE B 598 -1.911 -2.501 7.206 1.00 0.00 C ATOM 407 H ILE B 598 -5.008 -0.073 7.923 1.00 0.00 H ATOM 408 N ILE B 599 -3.832 2.736 6.686 1.00 0.00 N ATOM 409 CA ILE B 599 -3.803 4.027 6.044 1.00 0.00 C ATOM 410 C ILE B 599 -4.321 5.084 7.004 1.00 0.00 C ATOM 411 O ILE B 599 -3.671 6.093 7.215 1.00 0.00 O ATOM 412 CB ILE B 599 -4.671 4.024 4.786 1.00 0.00 C ATOM 413 CG1 ILE B 599 -4.223 2.915 3.870 1.00 0.00 C ATOM 414 CG2 ILE B 599 -4.551 5.364 4.062 1.00 0.00 C ATOM 415 CD1 ILE B 599 -5.263 2.521 2.889 1.00 0.00 C ATOM 416 H ILE B 599 -4.508 2.020 6.352 1.00 0.00 H ATOM 417 N GLN B 600 -5.476 4.805 7.633 1.00 0.00 N ATOM 418 CA GLN B 600 -6.129 5.731 8.577 1.00 0.00 C ATOM 419 C GLN B 600 -5.220 6.155 9.699 1.00 0.00 C ATOM 420 O GLN B 600 -5.376 7.250 10.241 1.00 0.00 O ATOM 421 CB GLN B 600 -7.364 5.115 9.173 1.00 0.00 C ATOM 422 CG GLN B 600 -8.352 4.697 8.150 1.00 0.00 C ATOM 423 CD GLN B 600 -9.658 4.339 8.747 1.00 0.00 C ATOM 424 OE1 GLN B 600 -9.898 3.203 9.126 1.00 0.00 O ATOM 425 NE2 GLN B 600 -10.524 5.297 8.799 1.00 0.00 N ATOM 426 HE22 GLN B 600 -10.269 6.248 8.463 1.00 0.00 H ATOM 427 HE21 GLN B 600 -11.476 5.117 9.177 1.00 0.00 H ATOM 428 H GLN B 600 -5.932 3.890 7.444 1.00 0.00 H ATOM 429 N SER B 601 -4.290 5.286 10.041 1.00 0.00 N ATOM 430 CA SER B 601 -3.299 5.549 11.059 1.00 0.00 C ATOM 431 C SER B 601 -2.533 6.842 10.742 1.00 0.00 C ATOM 432 O SER B 601 -2.256 7.645 11.635 1.00 0.00 O ATOM 433 CB SER B 601 -2.338 4.371 11.152 1.00 0.00 C ATOM 434 OG SER B 601 -3.027 3.164 11.486 1.00 0.00 O ATOM 435 HG SER B 601 -3.702 2.967 10.789 1.00 0.00 H ATOM 436 H SER B 601 -4.268 4.367 9.555 1.00 0.00 H ATOM 437 N ARG B 602 -2.234 7.060 9.473 1.00 0.00 N ATOM 438 CA ARG B 602 -1.557 8.269 9.085 1.00 0.00 C ATOM 439 C ARG B 602 -2.545 9.247 8.468 1.00 0.00 C ATOM 440 O ARG B 602 -2.498 10.434 8.739 1.00 0.00 O ATOM 441 CB ARG B 602 -0.454 8.013 8.066 1.00 0.00 C ATOM 442 CG ARG B 602 0.345 9.271 7.792 1.00 0.00 C ATOM 443 CD ARG B 602 1.173 9.195 6.536 1.00 0.00 C ATOM 444 NE ARG B 602 1.954 10.427 6.369 1.00 0.00 N ATOM 445 CZ ARG B 602 1.771 11.360 5.420 1.00 0.00 C ATOM 446 NH1 ARG B 602 0.724 11.318 4.616 1.00 0.00 N ATOM 447 NH2 ARG B 602 2.598 12.394 5.357 1.00 0.00 N ATOM 448 HE ARG B 602 2.722 10.593 7.050 1.00 0.00 H ATOM 449 HH12 ARG B 602 0.599 12.049 3.887 1.00 0.00 H ATOM 450 HH11 ARG B 602 0.025 10.554 4.712 1.00 0.00 H ATOM 451 HH22 ARG B 602 2.465 13.122 4.626 1.00 0.00 H ATOM 452 HH21 ARG B 602 3.379 12.477 6.038 1.00 0.00 H ATOM 453 H ARG B 602 -2.489 6.355 8.752 1.00 0.00 H ATOM 454 N GLU B 603 -3.450 8.721 7.683 1.00 0.00 N ATOM 455 CA GLU B 603 -4.350 9.503 6.879 1.00 0.00 C ATOM 456 C GLU B 603 -5.651 9.743 7.581 1.00 0.00 C ATOM 457 O GLU B 603 -6.505 8.845 7.695 1.00 0.00 O ATOM 458 CB GLU B 603 -4.612 8.821 5.539 1.00 0.00 C ATOM 459 CG GLU B 603 -3.376 8.676 4.661 1.00 0.00 C ATOM 460 CD GLU B 603 -2.677 9.980 4.414 1.00 0.00 C ATOM 461 OE1 GLU B 603 -1.643 10.235 5.057 1.00 0.00 O ATOM 462 OE2 GLU B 603 -3.152 10.782 3.581 1.00 0.00 O ATOM 463 H GLU B 603 -3.522 7.684 7.638 1.00 0.00 H ATOM 464 N PRO B 604 -5.858 10.956 8.049 1.00 0.00 N ATOM 465 CA PRO B 604 -7.068 11.316 8.714 1.00 0.00 C ATOM 466 C PRO B 604 -8.102 11.810 7.699 1.00 0.00 C ATOM 467 O PRO B 604 -9.251 12.093 8.025 1.00 0.00 O ATOM 468 CB PRO B 604 -6.584 12.397 9.654 1.00 0.00 C ATOM 469 CG PRO B 604 -5.555 13.139 8.864 1.00 0.00 C ATOM 470 CD PRO B 604 -4.904 12.111 7.980 1.00 0.00 C ATOM 471 N SER B 605 -7.669 11.855 6.469 1.00 0.00 N ATOM 472 CA SER B 605 -8.445 12.234 5.343 1.00 0.00 C ATOM 473 C SER B 605 -9.339 11.067 4.922 1.00 0.00 C ATOM 474 O SER B 605 -10.442 11.261 4.424 1.00 0.00 O ATOM 475 CB SER B 605 -7.452 12.588 4.279 1.00 0.00 C ATOM 476 OG SER B 605 -6.330 11.712 4.419 1.00 0.00 O ATOM 477 HG SER B 605 -5.657 11.926 3.725 1.00 0.00 H ATOM 478 H SER B 605 -6.677 11.592 6.301 1.00 0.00 H ATOM 479 N LEU B 606 -8.853 9.852 5.156 1.00 0.00 N ATOM 480 CA LEU B 606 -9.636 8.664 4.906 1.00 0.00 C ATOM 481 C LEU B 606 -10.722 8.599 5.973 1.00 0.00 C ATOM 482 O LEU B 606 -11.883 8.413 5.672 1.00 0.00 O ATOM 483 CB LEU B 606 -8.722 7.422 4.936 1.00 0.00 C ATOM 484 CG LEU B 606 -9.319 6.070 4.440 1.00 0.00 C ATOM 485 CD1 LEU B 606 -8.237 5.049 4.356 1.00 0.00 C ATOM 486 CD2 LEU B 606 -10.448 5.543 5.319 1.00 0.00 C ATOM 487 H LEU B 606 -7.887 9.754 5.528 1.00 0.00 H ATOM 488 N ARG B 607 -10.306 8.787 7.229 1.00 0.00 N ATOM 489 CA ARG B 607 -11.215 8.855 8.396 1.00 0.00 C ATOM 490 C ARG B 607 -12.295 9.919 8.201 1.00 0.00 C ATOM 491 O ARG B 607 -13.396 9.808 8.723 1.00 0.00 O ATOM 492 CB ARG B 607 -10.418 9.213 9.635 1.00 0.00 C ATOM 493 CG ARG B 607 -9.389 8.188 10.050 1.00 0.00 C ATOM 494 CD ARG B 607 -8.559 8.705 11.207 1.00 0.00 C ATOM 495 NE ARG B 607 -9.391 9.112 12.350 1.00 0.00 N ATOM 496 CZ ARG B 607 -8.938 9.674 13.482 1.00 0.00 C ATOM 497 NH1 ARG B 607 -7.634 9.765 13.715 1.00 0.00 N ATOM 498 NH2 ARG B 607 -9.801 10.109 14.390 1.00 0.00 N ATOM 499 HE ARG B 607 -10.416 8.951 12.275 1.00 0.00 H ATOM 500 HH12 ARG B 607 -7.292 10.202 14.595 1.00 0.00 H ATOM 501 HH11 ARG B 607 -6.954 9.399 13.018 1.00 0.00 H ATOM 502 HH22 ARG B 607 -9.456 10.545 15.269 1.00 0.00 H ATOM 503 HH21 ARG B 607 -10.823 10.014 14.223 1.00 0.00 H ATOM 504 H ARG B 607 -9.285 8.892 7.397 1.00 0.00 H ATOM 505 N ASP B 608 -11.928 10.964 7.488 1.00 0.00 N ATOM 506 CA ASP B 608 -12.836 12.065 7.138 1.00 0.00 C ATOM 507 C ASP B 608 -13.999 11.569 6.270 1.00 0.00 C ATOM 508 O ASP B 608 -15.123 12.078 6.355 1.00 0.00 O ATOM 509 CB ASP B 608 -12.048 13.161 6.409 1.00 0.00 C ATOM 510 CG ASP B 608 -12.895 14.311 5.915 1.00 0.00 C ATOM 511 OD1 ASP B 608 -13.245 14.335 4.713 1.00 0.00 O ATOM 512 OD2 ASP B 608 -13.175 15.239 6.699 1.00 0.00 O ATOM 513 H ASP B 608 -10.944 11.012 7.155 1.00 0.00 H ATOM 514 N SER B 609 -13.733 10.560 5.485 1.00 0.00 N ATOM 515 CA SER B 609 -14.712 9.968 4.621 1.00 0.00 C ATOM 516 C SER B 609 -15.324 8.746 5.342 1.00 0.00 C ATOM 517 O SER B 609 -15.151 8.571 6.559 1.00 0.00 O ATOM 518 CB SER B 609 -14.039 9.556 3.283 1.00 0.00 C ATOM 519 OG SER B 609 -14.993 9.083 2.325 1.00 0.00 O ATOM 520 HG SER B 609 -14.524 8.832 1.490 1.00 0.00 H ATOM 521 H SER B 609 -12.769 10.169 5.487 1.00 0.00 H ATOM 522 N ASN B 610 -16.042 7.939 4.615 1.00 0.00 N ATOM 523 CA ASN B 610 -16.656 6.751 5.165 1.00 0.00 C ATOM 524 C ASN B 610 -15.689 5.600 4.982 1.00 0.00 C ATOM 525 O ASN B 610 -15.128 5.453 3.903 1.00 0.00 O ATOM 526 CB ASN B 610 -17.983 6.431 4.447 1.00 0.00 C ATOM 527 CG ASN B 610 -19.067 7.501 4.605 1.00 0.00 C ATOM 528 OD1 ASN B 610 -19.859 7.727 3.688 1.00 0.00 O ATOM 529 ND2 ASN B 610 -19.146 8.135 5.757 1.00 0.00 N ATOM 530 HD22 ASN B 610 -18.465 7.925 6.514 1.00 0.00 H ATOM 531 HD21 ASN B 610 -19.890 8.846 5.909 1.00 0.00 H ATOM 532 H ASN B 610 -16.178 8.156 3.607 1.00 0.00 H ATOM 533 N PRO B 611 -15.505 4.742 6.014 1.00 0.00 N ATOM 534 CA PRO B 611 -14.540 3.608 5.977 1.00 0.00 C ATOM 535 C PRO B 611 -14.919 2.535 4.948 1.00 0.00 C ATOM 536 O PRO B 611 -14.183 1.565 4.719 1.00 0.00 O ATOM 537 CB PRO B 611 -14.593 3.040 7.396 1.00 0.00 C ATOM 538 CG PRO B 611 -15.913 3.470 7.935 1.00 0.00 C ATOM 539 CD PRO B 611 -16.211 4.803 7.307 1.00 0.00 C ATOM 540 N ASP B 612 -16.086 2.705 4.371 1.00 0.00 N ATOM 541 CA ASP B 612 -16.583 1.879 3.280 1.00 0.00 C ATOM 542 C ASP B 612 -15.716 2.096 2.054 1.00 0.00 C ATOM 543 O ASP B 612 -15.486 1.184 1.244 1.00 0.00 O ATOM 544 CB ASP B 612 -17.998 2.301 2.959 1.00 0.00 C ATOM 545 CG ASP B 612 -18.616 1.513 1.829 1.00 0.00 C ATOM 546 OD1 ASP B 612 -18.822 2.086 0.752 1.00 0.00 O ATOM 547 OD2 ASP B 612 -18.885 0.303 1.979 1.00 0.00 O ATOM 548 H ASP B 612 -16.693 3.477 4.714 1.00 0.00 H ATOM 549 N GLU B 613 -15.208 3.290 1.964 1.00 0.00 N ATOM 550 CA GLU B 613 -14.341 3.702 0.888 1.00 0.00 C ATOM 551 C GLU B 613 -12.906 3.725 1.386 1.00 0.00 C ATOM 552 O GLU B 613 -12.612 4.273 2.450 1.00 0.00 O ATOM 553 CB GLU B 613 -14.697 5.125 0.399 1.00 0.00 C ATOM 554 CG GLU B 613 -13.732 5.651 -0.671 1.00 0.00 C ATOM 555 CD GLU B 613 -13.839 7.140 -0.944 1.00 0.00 C ATOM 556 OE1 GLU B 613 -14.321 7.896 -0.079 1.00 0.00 O ATOM 557 OE2 GLU B 613 -13.349 7.590 -2.005 1.00 0.00 O ATOM 558 H GLU B 613 -15.439 3.982 2.705 1.00 0.00 H ATOM 559 N ILE B 614 -12.025 3.096 0.648 1.00 0.00 N ATOM 560 CA ILE B 614 -10.635 3.182 0.964 1.00 0.00 C ATOM 561 C ILE B 614 -10.090 4.417 0.244 1.00 0.00 C ATOM 562 O ILE B 614 -10.490 4.734 -0.909 1.00 0.00 O ATOM 563 CB ILE B 614 -9.826 1.872 0.586 1.00 0.00 C ATOM 564 CG1 ILE B 614 -8.530 1.791 1.403 1.00 0.00 C ATOM 565 CG2 ILE B 614 -9.468 1.827 -0.912 1.00 0.00 C ATOM 566 CD1 ILE B 614 -7.781 0.470 1.242 1.00 0.00 C ATOM 567 H ILE B 614 -12.338 2.534 -0.169 1.00 0.00 H ATOM 568 N GLU B 615 -9.290 5.143 0.916 1.00 0.00 N ATOM 569 CA GLU B 615 -8.699 6.318 0.368 1.00 0.00 C ATOM 570 C GLU B 615 -7.206 6.158 0.389 1.00 0.00 C ATOM 571 O GLU B 615 -6.600 6.104 1.446 1.00 0.00 O ATOM 572 CB GLU B 615 -9.127 7.567 1.146 1.00 0.00 C ATOM 573 CG GLU B 615 -8.622 8.863 0.544 1.00 0.00 C ATOM 574 CD GLU B 615 -9.144 9.053 -0.845 1.00 0.00 C ATOM 575 OE1 GLU B 615 -8.554 8.505 -1.808 1.00 0.00 O ATOM 576 OE2 GLU B 615 -10.186 9.693 -1.015 1.00 0.00 O ATOM 577 H GLU B 615 -9.061 4.871 1.893 1.00 0.00 H ATOM 578 N ILE B 616 -6.631 6.019 -0.772 1.00 0.00 N ATOM 579 CA ILE B 616 -5.209 5.851 -0.886 1.00 0.00 C ATOM 580 C ILE B 616 -4.692 6.784 -1.945 1.00 0.00 C ATOM 581 O ILE B 616 -5.317 6.928 -3.007 1.00 0.00 O ATOM 582 CB ILE B 616 -4.805 4.410 -1.319 1.00 0.00 C ATOM 583 CG1 ILE B 616 -5.491 3.361 -0.462 1.00 0.00 C ATOM 584 CG2 ILE B 616 -3.291 4.245 -1.205 1.00 0.00 C ATOM 585 CD1 ILE B 616 -5.162 1.941 -0.853 1.00 0.00 C ATOM 586 H ILE B 616 -7.213 6.030 -1.634 1.00 0.00 H ATOM 587 N ASP B 617 -3.638 7.460 -1.640 1.00 0.00 N ATOM 588 CA ASP B 617 -2.891 8.210 -2.609 1.00 0.00 C ATOM 589 C ASP B 617 -1.447 7.836 -2.464 1.00 0.00 C ATOM 590 O ASP B 617 -0.797 8.174 -1.497 1.00 0.00 O ATOM 591 CB ASP B 617 -3.132 9.735 -2.542 1.00 0.00 C ATOM 592 CG ASP B 617 -2.910 10.361 -1.187 1.00 0.00 C ATOM 593 OD1 ASP B 617 -1.783 10.745 -0.873 1.00 0.00 O ATOM 594 OD2 ASP B 617 -3.889 10.531 -0.448 1.00 0.00 O ATOM 595 H ASP B 617 -3.316 7.462 -0.651 1.00 0.00 H ATOM 596 N PHE B 618 -0.946 7.102 -3.420 1.00 0.00 N ATOM 597 CA PHE B 618 0.398 6.542 -3.321 1.00 0.00 C ATOM 598 C PHE B 618 1.499 7.594 -3.519 1.00 0.00 C ATOM 599 O PHE B 618 2.688 7.282 -3.450 1.00 0.00 O ATOM 600 CB PHE B 618 0.574 5.375 -4.304 1.00 0.00 C ATOM 601 CG PHE B 618 -0.329 4.184 -4.049 1.00 0.00 C ATOM 602 CD1 PHE B 618 0.078 3.163 -3.212 1.00 0.00 C ATOM 603 CD2 PHE B 618 -1.571 4.083 -4.654 1.00 0.00 C ATOM 604 CE1 PHE B 618 -0.729 2.067 -2.985 1.00 0.00 C ATOM 605 CE2 PHE B 618 -2.386 2.991 -4.433 1.00 0.00 C ATOM 606 CZ PHE B 618 -1.963 1.980 -3.596 1.00 0.00 C ATOM 607 H PHE B 618 -1.516 6.912 -4.269 1.00 0.00 H ATOM 608 N GLU B 619 1.109 8.823 -3.741 1.00 0.00 N ATOM 609 CA GLU B 619 2.055 9.884 -3.989 1.00 0.00 C ATOM 610 C GLU B 619 2.389 10.678 -2.740 1.00 0.00 C ATOM 611 O GLU B 619 3.561 10.871 -2.432 1.00 0.00 O ATOM 612 CB GLU B 619 1.564 10.780 -5.101 1.00 0.00 C ATOM 613 CG GLU B 619 1.522 10.076 -6.439 1.00 0.00 C ATOM 614 CD GLU B 619 2.902 9.679 -6.908 1.00 0.00 C ATOM 615 OE1 GLU B 619 3.360 8.551 -6.606 1.00 0.00 O ATOM 616 OE2 GLU B 619 3.547 10.493 -7.599 1.00 0.00 O ATOM 617 H GLU B 619 0.092 9.041 -3.739 1.00 0.00 H ATOM 618 N THR B 620 1.393 11.115 -2.012 1.00 0.00 N ATOM 619 CA THR B 620 1.651 11.898 -0.830 1.00 0.00 C ATOM 620 C THR B 620 1.783 11.043 0.434 1.00 0.00 C ATOM 621 O THR B 620 2.133 11.547 1.505 1.00 0.00 O ATOM 622 CB THR B 620 0.632 13.038 -0.674 1.00 0.00 C ATOM 623 OG1 THR B 620 -0.476 12.806 -1.561 1.00 0.00 O ATOM 624 CG2 THR B 620 1.273 14.374 -1.012 1.00 0.00 C ATOM 625 HG1 THR B 620 -0.904 11.943 -1.333 1.00 0.00 H ATOM 626 H THR B 620 0.414 10.897 -2.287 1.00 0.00 H ATOM 627 N LEU B 621 1.507 9.758 0.304 1.00 0.00 N ATOM 628 CA LEU B 621 1.738 8.819 1.384 1.00 0.00 C ATOM 629 C LEU B 621 3.219 8.625 1.632 1.00 0.00 C ATOM 630 O LEU B 621 4.036 8.624 0.697 1.00 0.00 O ATOM 631 CB LEU B 621 1.073 7.469 1.117 1.00 0.00 C ATOM 632 CG LEU B 621 -0.389 7.328 1.530 1.00 0.00 C ATOM 633 CD1 LEU B 621 -0.948 6.008 1.032 1.00 0.00 C ATOM 634 CD2 LEU B 621 -0.489 7.365 3.036 1.00 0.00 C ATOM 635 H LEU B 621 1.115 9.412 -0.595 1.00 0.00 H ATOM 636 N LYS B 622 3.557 8.473 2.884 1.00 0.00 N ATOM 637 CA LYS B 622 4.930 8.273 3.299 1.00 0.00 C ATOM 638 C LYS B 622 5.261 6.784 3.313 1.00 0.00 C ATOM 639 O LYS B 622 4.348 5.949 3.461 1.00 0.00 O ATOM 640 CB LYS B 622 5.143 8.877 4.696 1.00 0.00 C ATOM 641 CG LYS B 622 5.072 10.398 4.748 1.00 0.00 C ATOM 642 CD LYS B 622 6.310 11.075 4.158 1.00 0.00 C ATOM 643 CE LYS B 622 7.545 10.882 5.046 1.00 0.00 C ATOM 644 NZ LYS B 622 7.372 11.494 6.390 1.00 0.00 N ATOM 645 HZ1 LYS B 622 7.205 12.515 6.286 1.00 0.00 H ATOM 646 HZ2 LYS B 622 6.559 11.055 6.867 1.00 0.00 H ATOM 647 HZ3 LYS B 622 8.232 11.338 6.954 1.00 0.00 H ATOM 648 H LYS B 622 2.813 8.496 3.610 1.00 0.00 H ATOM 649 N PRO B 623 6.572 6.427 3.153 1.00 0.00 N ATOM 650 CA PRO B 623 7.068 5.029 3.188 1.00 0.00 C ATOM 651 C PRO B 623 6.580 4.251 4.402 1.00 0.00 C ATOM 652 O PRO B 623 6.370 3.054 4.327 1.00 0.00 O ATOM 653 CB PRO B 623 8.605 5.180 3.268 1.00 0.00 C ATOM 654 CG PRO B 623 8.869 6.641 3.416 1.00 0.00 C ATOM 655 CD PRO B 623 7.678 7.351 2.858 1.00 0.00 C ATOM 656 N THR B 624 6.350 4.959 5.485 1.00 0.00 N ATOM 657 CA THR B 624 5.924 4.394 6.730 1.00 0.00 C ATOM 658 C THR B 624 4.584 3.705 6.583 1.00 0.00 C ATOM 659 O THR B 624 4.371 2.598 7.087 1.00 0.00 O ATOM 660 CB THR B 624 5.841 5.521 7.756 1.00 0.00 C ATOM 661 OG1 THR B 624 5.300 6.685 7.095 1.00 0.00 O ATOM 662 CG2 THR B 624 7.212 5.850 8.310 1.00 0.00 C ATOM 663 HG1 THR B 624 5.237 7.431 7.743 1.00 0.00 H ATOM 664 H THR B 624 6.485 5.989 5.435 1.00 0.00 H ATOM 665 N THR B 625 3.712 4.347 5.879 1.00 0.00 N ATOM 666 CA THR B 625 2.422 3.827 5.639 1.00 0.00 C ATOM 667 C THR B 625 2.443 2.893 4.432 1.00 0.00 C ATOM 668 O THR B 625 1.975 1.764 4.515 1.00 0.00 O ATOM 669 CB THR B 625 1.437 4.969 5.402 1.00 0.00 C ATOM 670 OG1 THR B 625 1.597 5.958 6.432 1.00 0.00 O ATOM 671 CG2 THR B 625 0.002 4.465 5.390 1.00 0.00 C ATOM 672 HG1 THR B 625 0.958 6.699 6.279 1.00 0.00 H ATOM 673 H THR B 625 3.967 5.272 5.478 1.00 0.00 H ATOM 674 N LEU B 626 3.017 3.370 3.325 1.00 0.00 N ATOM 675 CA LEU B 626 3.063 2.615 2.063 1.00 0.00 C ATOM 676 C LEU B 626 3.632 1.210 2.237 1.00 0.00 C ATOM 677 O LEU B 626 3.042 0.221 1.791 1.00 0.00 O ATOM 678 CB LEU B 626 3.880 3.367 1.023 1.00 0.00 C ATOM 679 CG LEU B 626 3.260 4.632 0.466 1.00 0.00 C ATOM 680 CD1 LEU B 626 4.271 5.380 -0.390 1.00 0.00 C ATOM 681 CD2 LEU B 626 2.041 4.289 -0.370 1.00 0.00 C ATOM 682 H LEU B 626 3.450 4.315 3.356 1.00 0.00 H ATOM 683 N ARG B 627 4.742 1.126 2.921 1.00 0.00 N ATOM 684 CA ARG B 627 5.415 -0.125 3.128 1.00 0.00 C ATOM 685 C ARG B 627 4.623 -1.002 4.080 1.00 0.00 C ATOM 686 O ARG B 627 4.644 -2.211 3.962 1.00 0.00 O ATOM 687 CB ARG B 627 6.787 0.126 3.696 1.00 0.00 C ATOM 688 CG ARG B 627 7.707 -1.090 3.730 1.00 0.00 C ATOM 689 CD ARG B 627 7.999 -1.617 2.323 1.00 0.00 C ATOM 690 NE ARG B 627 9.115 -2.571 2.325 1.00 0.00 N ATOM 691 CZ ARG B 627 9.831 -2.925 1.247 1.00 0.00 C ATOM 692 NH1 ARG B 627 9.331 -2.780 0.019 1.00 0.00 N ATOM 693 NH2 ARG B 627 11.005 -3.526 1.412 1.00 0.00 N ATOM 694 HE ARG B 627 9.371 -3.007 3.234 1.00 0.00 H ATOM 695 HH12 ARG B 627 9.896 -3.058 -0.809 1.00 0.00 H ATOM 696 HH11 ARG B 627 8.376 -2.389 -0.111 1.00 0.00 H ATOM 697 HH22 ARG B 627 11.568 -3.804 0.583 1.00 0.00 H ATOM 698 HH21 ARG B 627 11.361 -3.718 2.370 1.00 0.00 H ATOM 699 H ARG B 627 5.150 1.992 3.328 1.00 0.00 H ATOM 700 N GLU B 628 3.907 -0.382 5.006 1.00 0.00 N ATOM 701 CA GLU B 628 3.133 -1.120 5.985 1.00 0.00 C ATOM 702 C GLU B 628 1.950 -1.797 5.270 1.00 0.00 C ATOM 703 O GLU B 628 1.558 -2.926 5.612 1.00 0.00 O ATOM 704 CB GLU B 628 2.635 -0.178 7.080 1.00 0.00 C ATOM 705 CG GLU B 628 2.082 -0.871 8.315 1.00 0.00 C ATOM 706 CD GLU B 628 3.144 -1.570 9.129 1.00 0.00 C ATOM 707 OE1 GLU B 628 3.394 -2.772 8.913 1.00 0.00 O ATOM 708 OE2 GLU B 628 3.722 -0.937 10.023 1.00 0.00 O ATOM 709 H GLU B 628 3.900 0.658 5.031 1.00 0.00 H ATOM 710 N LEU B 629 1.414 -1.103 4.250 1.00 0.00 N ATOM 711 CA LEU B 629 0.344 -1.643 3.406 1.00 0.00 C ATOM 712 C LEU B 629 0.897 -2.874 2.713 1.00 0.00 C ATOM 713 O LEU B 629 0.313 -3.962 2.780 1.00 0.00 O ATOM 714 CB LEU B 629 -0.068 -0.640 2.299 1.00 0.00 C ATOM 715 CG LEU B 629 -0.294 0.823 2.690 1.00 0.00 C ATOM 716 CD1 LEU B 629 -0.657 1.651 1.468 1.00 0.00 C ATOM 717 CD2 LEU B 629 -1.361 0.956 3.740 1.00 0.00 C ATOM 718 H LEU B 629 1.772 -0.147 4.053 1.00 0.00 H ATOM 719 N GLU B 630 2.069 -2.684 2.088 1.00 0.00 N ATOM 720 CA GLU B 630 2.769 -3.728 1.352 1.00 0.00 C ATOM 721 C GLU B 630 3.012 -4.920 2.243 1.00 0.00 C ATOM 722 O GLU B 630 2.682 -6.033 1.910 1.00 0.00 O ATOM 723 CB GLU B 630 4.125 -3.234 0.877 1.00 0.00 C ATOM 724 CG GLU B 630 4.823 -4.238 -0.012 1.00 0.00 C ATOM 725 CD GLU B 630 6.298 -3.984 -0.138 1.00 0.00 C ATOM 726 OE1 GLU B 630 6.701 -3.024 -0.818 1.00 0.00 O ATOM 727 OE2 GLU B 630 7.100 -4.779 0.430 1.00 0.00 O ATOM 728 H GLU B 630 2.501 -1.739 2.131 1.00 0.00 H ATOM 729 N ARG B 631 3.551 -4.637 3.391 1.00 0.00 N ATOM 730 CA ARG B 631 3.948 -5.617 4.385 1.00 0.00 C ATOM 731 C ARG B 631 2.778 -6.489 4.779 1.00 0.00 C ATOM 732 O ARG B 631 2.928 -7.674 5.003 1.00 0.00 O ATOM 733 CB ARG B 631 4.488 -4.865 5.583 1.00 0.00 C ATOM 734 CG ARG B 631 5.199 -5.668 6.634 1.00 0.00 C ATOM 735 CD ARG B 631 5.620 -4.723 7.730 1.00 0.00 C ATOM 736 NE ARG B 631 6.546 -5.296 8.694 1.00 0.00 N ATOM 737 CZ ARG B 631 6.976 -4.626 9.770 1.00 0.00 C ATOM 738 NH1 ARG B 631 6.386 -3.479 10.115 1.00 0.00 N ATOM 739 NH2 ARG B 631 7.958 -5.113 10.511 1.00 0.00 N ATOM 740 HE ARG B 631 6.888 -6.266 8.541 1.00 0.00 H ATOM 741 HH12 ARG B 631 6.717 -2.955 10.950 1.00 0.00 H ATOM 742 HH11 ARG B 631 5.596 -3.110 9.549 1.00 0.00 H ATOM 743 HH22 ARG B 631 8.289 -4.589 11.346 1.00 0.00 H ATOM 744 HH21 ARG B 631 8.399 -6.020 10.258 1.00 0.00 H ATOM 745 H ARG B 631 3.710 -3.634 3.614 1.00 0.00 H ATOM 746 N TYR B 632 1.625 -5.917 4.783 1.00 0.00 N ATOM 747 CA TYR B 632 0.451 -6.630 5.148 1.00 0.00 C ATOM 748 C TYR B 632 -0.049 -7.458 3.985 1.00 0.00 C ATOM 749 O TYR B 632 -0.258 -8.676 4.126 1.00 0.00 O ATOM 750 CB TYR B 632 -0.623 -5.690 5.669 1.00 0.00 C ATOM 751 CG TYR B 632 -1.927 -6.381 5.923 1.00 0.00 C ATOM 752 CD1 TYR B 632 -2.954 -6.288 5.006 1.00 0.00 C ATOM 753 CD2 TYR B 632 -2.105 -7.180 7.041 1.00 0.00 C ATOM 754 CE1 TYR B 632 -4.123 -6.974 5.186 1.00 0.00 C ATOM 755 CE2 TYR B 632 -3.281 -7.861 7.242 1.00 0.00 C ATOM 756 CZ TYR B 632 -4.286 -7.762 6.310 1.00 0.00 C ATOM 757 OH TYR B 632 -5.447 -8.473 6.489 1.00 0.00 O ATOM 758 HH TYR B 632 -6.063 -8.292 5.735 1.00 0.00 H ATOM 759 H TYR B 632 1.551 -4.915 4.514 1.00 0.00 H ATOM 760 N VAL B 633 -0.222 -6.808 2.836 1.00 0.00 N ATOM 761 CA VAL B 633 -0.712 -7.473 1.640 1.00 0.00 C ATOM 762 C VAL B 633 0.203 -8.643 1.263 1.00 0.00 C ATOM 763 O VAL B 633 -0.268 -9.738 0.986 1.00 0.00 O ATOM 764 CB VAL B 633 -0.913 -6.491 0.412 1.00 0.00 C ATOM 765 CG1 VAL B 633 -1.815 -5.325 0.776 1.00 0.00 C ATOM 766 CG2 VAL B 633 0.401 -5.971 -0.163 1.00 0.00 C ATOM 767 H VAL B 633 0.000 -5.793 2.793 1.00 0.00 H ATOM 768 N LYS B 634 1.510 -8.427 1.348 1.00 0.00 N ATOM 769 CA LYS B 634 2.473 -9.425 0.989 1.00 0.00 C ATOM 770 C LYS B 634 2.465 -10.595 1.961 1.00 0.00 C ATOM 771 O LYS B 634 2.723 -11.730 1.579 1.00 0.00 O ATOM 772 CB LYS B 634 3.859 -8.808 0.794 1.00 0.00 C ATOM 773 CG LYS B 634 4.622 -8.354 2.016 1.00 0.00 C ATOM 774 CD LYS B 634 5.912 -7.715 1.538 1.00 0.00 C ATOM 775 CE LYS B 634 6.838 -7.274 2.641 1.00 0.00 C ATOM 776 NZ LYS B 634 8.069 -6.677 2.088 1.00 0.00 N ATOM 777 HZ1 LYS B 634 8.560 -7.380 1.500 1.00 0.00 H ATOM 778 HZ2 LYS B 634 7.821 -5.850 1.508 1.00 0.00 H ATOM 779 HZ3 LYS B 634 8.690 -6.381 2.868 1.00 0.00 H ATOM 780 H LYS B 634 1.846 -7.503 1.686 1.00 0.00 H ATOM 781 N SER B 635 2.157 -10.327 3.219 1.00 0.00 N ATOM 782 CA SER B 635 2.040 -11.395 4.191 1.00 0.00 C ATOM 783 C SER B 635 0.818 -12.294 3.874 1.00 0.00 C ATOM 784 O SER B 635 0.838 -13.511 4.102 1.00 0.00 O ATOM 785 CB SER B 635 2.013 -10.836 5.619 1.00 0.00 C ATOM 786 OG SER B 635 3.215 -10.095 5.885 1.00 0.00 O ATOM 787 HG SER B 635 3.287 -9.344 5.244 1.00 0.00 H ATOM 788 H SER B 635 1.998 -9.342 3.513 1.00 0.00 H ATOM 789 N CYS B 636 -0.214 -11.695 3.296 1.00 0.00 N ATOM 790 CA CYS B 636 -1.432 -12.404 2.962 1.00 0.00 C ATOM 791 C CYS B 636 -1.298 -13.126 1.625 1.00 0.00 C ATOM 792 O CYS B 636 -1.871 -14.200 1.414 1.00 0.00 O ATOM 793 CB CYS B 636 -2.591 -11.420 2.886 1.00 0.00 C ATOM 794 SG CYS B 636 -4.183 -12.182 2.518 1.00 0.00 S ATOM 795 H CYS B 636 -0.147 -10.681 3.075 1.00 0.00 H ATOM 796 N LEU B 637 -0.544 -12.543 0.733 1.00 0.00 N ATOM 797 CA LEU B 637 -0.400 -13.060 -0.610 1.00 0.00 C ATOM 798 C LEU B 637 0.816 -13.954 -0.755 1.00 0.00 C ATOM 799 O LEU B 637 1.255 -14.245 -1.869 1.00 0.00 O ATOM 800 CB LEU B 637 -0.362 -11.905 -1.596 1.00 0.00 C ATOM 801 CG LEU B 637 -1.623 -11.038 -1.627 1.00 0.00 C ATOM 802 CD1 LEU B 637 -1.438 -9.877 -2.549 1.00 0.00 C ATOM 803 CD2 LEU B 637 -2.836 -11.852 -2.043 1.00 0.00 C ATOM 804 H LEU B 637 -0.030 -11.678 0.997 1.00 0.00 H ATOM 805 N GLN B 638 1.351 -14.395 0.368 1.00 0.00 N ATOM 806 CA GLN B 638 2.448 -15.336 0.362 1.00 0.00 C ATOM 807 C GLN B 638 1.963 -16.665 -0.193 1.00 0.00 C ATOM 808 O GLN B 638 2.661 -17.295 -0.957 1.00 0.00 O ATOM 809 CB GLN B 638 3.065 -15.447 1.739 1.00 0.00 C ATOM 810 CG GLN B 638 4.460 -14.856 1.801 1.00 0.00 C ATOM 811 CD GLN B 638 4.919 -14.597 3.204 1.00 0.00 C ATOM 812 OE1 GLN B 638 5.485 -15.464 3.866 1.00 0.00 O ATOM 813 NE2 GLN B 638 4.707 -13.396 3.665 1.00 0.00 N ATOM 814 HE22 GLN B 638 4.224 -12.690 3.074 1.00 0.00 H ATOM 815 HE21 GLN B 638 5.021 -13.144 4.624 1.00 0.00 H ATOM 816 H GLN B 638 0.975 -14.058 1.277 1.00 0.00 H ATOM 817 N LYS B 639 0.740 -17.045 0.213 1.00 0.00 N ATOM 818 CA LYS B 639 -0.059 -18.123 -0.411 1.00 0.00 C ATOM 819 C LYS B 639 0.567 -19.538 -0.395 1.00 0.00 C ATOM 820 O LYS B 639 1.687 -19.778 -0.882 1.00 0.00 O ATOM 821 CB LYS B 639 -0.408 -17.718 -1.866 1.00 0.00 C ATOM 822 CG LYS B 639 -1.271 -18.711 -2.650 1.00 0.00 C ATOM 823 CD LYS B 639 -2.695 -18.777 -2.133 1.00 0.00 C ATOM 824 CE LYS B 639 -3.547 -19.744 -2.953 1.00 0.00 C ATOM 825 NZ LYS B 639 -3.667 -19.342 -4.378 1.00 0.00 N ATOM 826 HZ1 LYS B 639 -4.109 -18.402 -4.436 1.00 0.00 H ATOM 827 HZ2 LYS B 639 -2.721 -19.309 -4.808 1.00 0.00 H ATOM 828 HZ3 LYS B 639 -4.255 -20.034 -4.884 1.00 0.00 H ATOM 829 H LYS B 639 0.325 -16.545 1.025 1.00 0.00 H ATOM 830 N LYS B 640 -0.192 -20.486 0.112 1.00 0.00 N ATOM 831 CA LYS B 640 0.182 -21.881 0.010 1.00 0.00 C ATOM 832 C LYS B 640 -0.062 -22.334 -1.427 1.00 0.00 C ATOM 833 O LYS B 640 -1.170 -22.743 -1.787 1.00 0.00 O ATOM 834 CB LYS B 640 -0.596 -22.751 1.008 1.00 0.00 C ATOM 835 CG LYS B 640 -0.272 -22.472 2.478 1.00 0.00 C ATOM 836 CD LYS B 640 1.195 -22.756 2.811 1.00 0.00 C ATOM 837 CE LYS B 640 1.568 -24.221 2.573 1.00 0.00 C ATOM 838 NZ LYS B 640 0.848 -25.143 3.473 1.00 0.00 N ATOM 839 HZ1 LYS B 640 1.077 -24.911 4.461 1.00 0.00 H ATOM 840 HZ2 LYS B 640 -0.176 -25.045 3.321 1.00 0.00 H ATOM 841 HZ3 LYS B 640 1.138 -26.121 3.269 1.00 0.00 H ATOM 842 H LYS B 640 -1.076 -20.228 0.595 1.00 0.00 H ATOM 843 N GLN B 641 0.965 -22.135 -2.235 1.00 0.00 N ATOM 844 CA GLN B 641 1.004 -22.377 -3.681 1.00 0.00 C ATOM 845 C GLN B 641 2.303 -21.766 -4.159 1.00 0.00 C ATOM 846 O GLN B 641 3.018 -22.319 -4.986 1.00 0.00 O ATOM 847 CB GLN B 641 -0.151 -21.661 -4.396 1.00 0.00 C ATOM 848 CG GLN B 641 -0.194 -21.840 -5.909 1.00 0.00 C ATOM 849 CD GLN B 641 -1.219 -20.923 -6.538 1.00 0.00 C ATOM 850 OE1 GLN B 641 -1.495 -19.836 -6.016 1.00 0.00 O ATOM 851 NE2 GLN B 641 -1.778 -21.312 -7.644 1.00 0.00 N ATOM 852 HE22 GLN B 641 -1.525 -22.232 -8.059 1.00 0.00 H ATOM 853 HE21 GLN B 641 -2.478 -20.704 -8.115 1.00 0.00 H ATOM 854 H GLN B 641 1.836 -21.769 -1.800 1.00 0.00 H ATOM 855 N ARG B 642 2.579 -20.592 -3.619 1.00 0.00 N ATOM 856 CA ARG B 642 3.812 -19.876 -3.866 1.00 0.00 C ATOM 857 C ARG B 642 4.839 -20.410 -2.899 1.00 0.00 C ATOM 858 O ARG B 642 5.983 -20.678 -3.261 1.00 0.00 O ATOM 859 CB ARG B 642 3.589 -18.375 -3.650 1.00 0.00 C ATOM 860 CG ARG B 642 4.840 -17.503 -3.720 1.00 0.00 C ATOM 861 CD ARG B 642 5.479 -17.519 -5.092 1.00 0.00 C ATOM 862 NE ARG B 642 6.626 -16.611 -5.159 1.00 0.00 N ATOM 863 CZ ARG B 642 6.932 -15.833 -6.213 1.00 0.00 C ATOM 864 NH1 ARG B 642 6.244 -15.932 -7.345 1.00 0.00 N ATOM 865 NH2 ARG B 642 7.940 -14.975 -6.138 1.00 0.00 N ATOM 866 HE ARG B 642 7.251 -16.564 -4.329 1.00 0.00 H ATOM 867 HH12 ARG B 642 6.487 -15.327 -8.155 1.00 0.00 H ATOM 868 HH11 ARG B 642 5.463 -16.614 -7.421 1.00 0.00 H ATOM 869 HH22 ARG B 642 8.174 -14.375 -6.955 1.00 0.00 H ATOM 870 HH21 ARG B 642 8.497 -14.902 -5.263 1.00 0.00 H ATOM 871 H ARG B 642 1.876 -20.161 -2.985 1.00 0.00 H ATOM 872 N LYS B 643 4.422 -20.553 -1.666 1.00 0.00 N ATOM 873 CA LYS B 643 5.227 -21.189 -0.675 1.00 0.00 C ATOM 874 C LYS B 643 4.505 -22.428 -0.146 1.00 0.00 C ATOM 875 O LYS B 643 3.571 -22.323 0.637 1.00 0.00 O ATOM 876 CB LYS B 643 5.629 -20.231 0.468 1.00 0.00 C ATOM 877 CG LYS B 643 4.474 -19.521 1.187 1.00 0.00 C ATOM 878 CD LYS B 643 4.963 -18.777 2.424 1.00 0.00 C ATOM 879 CE LYS B 643 5.490 -19.741 3.487 1.00 0.00 C ATOM 880 NZ LYS B 643 6.065 -19.029 4.642 1.00 0.00 N ATOM 881 HZ1 LYS B 643 6.856 -18.434 4.322 1.00 0.00 H ATOM 882 HZ2 LYS B 643 5.334 -18.432 5.078 1.00 0.00 H ATOM 883 HZ3 LYS B 643 6.410 -19.721 5.338 1.00 0.00 H ATOM 884 H LYS B 643 3.482 -20.194 -1.403 1.00 0.00 H ATOM 885 N PRO B 644 4.844 -23.605 -0.655 1.00 0.00 N ATOM 886 CA PRO B 644 4.272 -24.842 -0.177 1.00 0.00 C ATOM 887 C PRO B 644 4.987 -25.288 1.091 1.00 0.00 C ATOM 888 O PRO B 644 4.522 -24.968 2.199 1.00 0.00 O ATOM 889 CB PRO B 644 4.518 -25.841 -1.332 1.00 0.00 C ATOM 890 CG PRO B 644 5.195 -25.055 -2.414 1.00 0.00 C ATOM 891 CD PRO B 644 5.782 -23.844 -1.753 1.00 0.00 C ATOM 892 OXT PRO B 644 6.059 -25.910 0.994 1.00 0.00 O TER 893 PRO B 644 HETATM 894 N LYS A 1 -8.426 12.799 -19.008 1.00 0.24 N HETATM 895 CA LYS A 1 -8.973 12.438 -17.715 1.00 0.07 C HETATM 896 C LYS A 1 -8.370 11.148 -17.227 1.00 0.23 C HETATM 897 O LYS A 1 -8.852 10.060 -17.542 1.00 -0.39 O HETATM 898 N LYS A 1 -7.269 11.265 -16.543 1.00 -0.26 N HETATM 899 CA LYS A 1 -6.641 10.150 -15.900 1.00 0.13 C HETATM 900 C LYS A 1 -6.334 10.546 -14.481 1.00 0.20 C HETATM 901 O LYS A 1 -5.939 11.702 -14.213 1.00 -0.39 O HETATM 902 N LYS A 1 -6.581 9.657 -13.580 1.00 -0.26 N HETATM 903 CA LYS A 1 -6.318 9.894 -12.193 1.00 0.13 C HETATM 904 C LYS A 1 -4.930 9.389 -11.864 1.00 0.21 C HETATM 905 O LYS A 1 -4.424 8.478 -12.552 1.00 -0.39 O HETATM 906 N LYS A 1 -4.265 9.980 -10.857 1.00 -0.25 N HETATM 907 CA LYS A 1 -2.982 9.481 -10.375 1.00 0.13 C HETATM 908 C LYS A 1 -3.176 8.120 -9.710 1.00 0.20 C HETATM 909 O LYS A 1 -4.315 7.622 -9.616 1.00 -0.39 O HETATM 910 N LYS A 1 -2.114 7.519 -9.247 1.00 -0.26 N HETATM 911 CA LYS A 1 -2.220 6.223 -8.638 1.00 0.13 C HETATM 912 C LYS A 1 -2.903 6.294 -7.273 1.00 0.20 C HETATM 913 O LYS A 1 -2.295 6.627 -6.239 1.00 -0.39 O HETATM 914 N LYS A 1 -4.182 6.051 -7.326 1.00 -0.26 N HETATM 915 CA LYS A 1 -5.070 6.011 -6.207 1.00 0.13 C HETATM 916 C LYS A 1 -6.015 4.863 -6.442 1.00 0.20 C HETATM 917 O LYS A 1 -6.037 4.302 -7.542 1.00 -0.39 O HETATM 918 N LYS A 1 -6.775 4.504 -5.450 1.00 -0.26 N HETATM 919 CA LYS A 1 -7.769 3.474 -5.596 1.00 0.13 C HETATM 920 C LYS A 1 -8.868 3.700 -4.562 1.00 0.20 C HETATM 921 O LYS A 1 -8.588 4.107 -3.421 1.00 -0.39 O HETATM 922 N LYS A 1 -10.094 3.578 -5.003 1.00 -0.26 N HETATM 923 CA LYS A 1 -11.270 3.680 -4.157 1.00 0.13 C HETATM 924 C LYS A 1 -11.764 2.295 -3.820 1.00 0.20 C HETATM 925 O LYS A 1 -11.492 1.340 -4.556 1.00 -0.39 O HETATM 926 N LYS A 1 -12.452 2.162 -2.714 1.00 -0.26 N HETATM 927 CA LYS A 1 -13.063 0.884 -2.400 1.00 0.13 C HETATM 928 C LYS A 1 -14.562 1.051 -2.479 1.00 0.20 C HETATM 929 O LYS A 1 -15.145 1.855 -1.737 1.00 -0.39 O HETATM 930 N LYS A 1 -15.165 0.342 -3.393 1.00 -0.27 N HETATM 931 CA LYS A 1 -16.579 0.389 -3.533 1.00 0.12 C HETATM 932 C LYS A 1 -17.000 1.490 -4.448 1.00 0.20 C HETATM 933 O LYS A 1 -16.844 1.379 -5.672 1.00 -0.39 O HETATM 934 N LYS A 1 -17.491 2.553 -3.873 1.00 -0.27 N HETATM 935 CA LYS A 1 -17.964 3.659 -4.642 1.00 0.12 C HETATM 936 C LYS A 1 -16.911 4.713 -4.832 1.00 0.20 C HETATM 937 O LYS A 1 -15.756 4.538 -4.428 1.00 -0.39 O HETATM 938 N LYS A 1 -17.306 5.810 -5.428 1.00 -0.27 N HETATM 939 CA LYS A 1 -16.403 6.907 -5.732 1.00 0.10 C HETATM 940 C LYS A 1 -16.984 8.204 -5.211 1.00 0.06 C HETATM 941 O LYS A 1 -18.214 8.312 -5.039 1.00 -0.57 O HETATM 942 OXT LYS A 1 -16.233 9.165 -4.954 1.00 -0.57 O HETATM 943 CB LYS A 1 -16.157 7.015 -7.252 1.00 0.02 C HETATM 944 CG LYS A 1 -15.437 5.837 -7.864 1.00 -0.04 C HETATM 945 CD1 LYS A 1 -16.134 4.709 -8.279 1.00 -0.06 C HETATM 946 CE1 LYS A 1 -15.472 3.635 -8.844 1.00 -0.07 C HETATM 947 CZ LYS A 1 -14.101 3.676 -8.998 1.00 -0.07 C HETATM 948 CE2 LYS A 1 -13.395 4.791 -8.591 1.00 -0.07 C HETATM 949 CD2 LYS A 1 -14.061 5.863 -8.027 1.00 -0.06 C HETATM 950 H107 LYS A 1 -13.500 6.734 -7.708 1.00 0.06 H HETATM 951 H109 LYS A 1 -12.319 4.825 -8.714 1.00 0.06 H HETATM 952 H110 LYS A 1 -13.579 2.834 -9.438 1.00 0.06 H HETATM 953 H108 LYS A 1 -16.029 2.762 -9.165 1.00 0.06 H HETATM 954 H106 LYS A 1 -17.211 4.671 -8.158 1.00 0.06 H HETATM 955 H104 LYS A 1 -15.556 7.917 -7.438 1.00 0.05 H HETATM 956 H105 LYS A 1 -17.133 7.116 -7.750 1.00 0.05 H HETATM 957 H103 LYS A 1 -15.441 6.721 -5.232 1.00 0.07 H HETATM 958 H102 LYS A 1 -18.269 5.896 -5.684 1.00 0.19 H HETATM 959 H100 LYS A 1 -18.824 4.108 -4.124 1.00 0.08 H HETATM 960 H101 LYS A 1 -18.281 3.293 -5.630 1.00 0.08 H HETATM 961 H99 LYS A 1 -17.537 2.594 -2.875 1.00 0.19 H HETATM 962 H97 LYS A 1 -17.031 0.553 -2.544 1.00 0.08 H HETATM 963 H98 LYS A 1 -16.930 -0.570 -3.942 1.00 0.08 H HETATM 964 H96 LYS A 1 -14.627 -0.241 -4.002 1.00 0.19 H HETATM 965 CB LYS A 1 -12.659 0.383 -1.002 1.00 -0.01 C HETATM 966 CG LYS A 1 -12.478 -1.140 -0.816 1.00 -0.04 C HETATM 967 CD1 LYS A 1 -13.758 -1.916 -1.096 1.00 -0.06 C HETATM 968 H90 LYS A 1 -13.575 -2.991 -0.950 1.00 0.02 H HETATM 969 H91 LYS A 1 -14.076 -1.736 -2.134 1.00 0.02 H HETATM 970 H92 LYS A 1 -14.548 -1.582 -0.407 1.00 0.02 H HETATM 971 CD2 LYS A 1 -11.338 -1.646 -1.692 1.00 -0.06 C HETATM 972 H93 LYS A 1 -10.425 -1.072 -1.473 1.00 0.02 H HETATM 973 H94 LYS A 1 -11.606 -1.519 -2.751 1.00 0.02 H HETATM 974 H95 LYS A 1 -11.160 -2.711 -1.484 1.00 0.02 H HETATM 975 H89 LYS A 1 -12.205 -1.318 0.234 1.00 0.03 H HETATM 976 H87 LYS A 1 -13.437 0.711 -0.297 1.00 0.03 H HETATM 977 H88 LYS A 1 -11.703 0.863 -0.743 1.00 0.03 H HETATM 978 H86 LYS A 1 -12.740 0.141 -3.144 1.00 0.08 H HETATM 979 H85 LYS A 1 -12.556 2.936 -2.090 1.00 0.19 H HETATM 980 CB LYS A 1 -12.401 4.420 -4.891 1.00 -0.01 C HETATM 981 CG LYS A 1 -12.622 5.912 -4.575 1.00 -0.04 C HETATM 982 CD LYS A 1 -11.475 6.852 -4.951 1.00 -0.01 C HETATM 983 CE LYS A 1 -10.331 6.817 -3.953 1.00 -0.04 C HETATM 984 NZ LYS A 1 -10.790 7.048 -2.564 1.00 0.22 N HETATM 985 H82 LYS A 1 -10.000 7.016 -1.939 1.00 0.20 H HETATM 986 H83 LYS A 1 -11.452 6.333 -2.305 1.00 0.20 H HETATM 987 H84 LYS A 1 -11.231 7.952 -2.502 1.00 0.20 H HETATM 988 H80 LYS A 1 -9.604 7.598 -4.220 1.00 0.08 H HETATM 989 H81 LYS A 1 -9.845 5.831 -4.006 1.00 0.08 H HETATM 990 H78 LYS A 1 -11.865 7.879 -5.002 1.00 0.03 H HETATM 991 H79 LYS A 1 -11.089 6.557 -5.938 1.00 0.03 H HETATM 992 H76 LYS A 1 -12.793 6.005 -3.492 1.00 0.03 H HETATM 993 H77 LYS A 1 -13.520 6.242 -5.118 1.00 0.03 H HETATM 994 H74 LYS A 1 -13.339 3.895 -4.658 1.00 0.03 H HETATM 995 H75 LYS A 1 -12.196 4.342 -5.969 1.00 0.03 H HETATM 996 H73 LYS A 1 -11.011 4.221 -3.235 1.00 0.08 H HETATM 997 H72 LYS A 1 -10.229 3.405 -5.979 1.00 0.19 H HETATM 998 CB LYS A 1 -7.153 2.025 -5.491 1.00 -0.00 C HETATM 999 CG1 LYS A 1 -8.210 0.927 -5.717 1.00 -0.05 C HETATM 1000 CD1 LYS A 1 -8.821 0.928 -7.108 1.00 -0.06 C HETATM 1001 H69 LYS A 1 -9.561 0.118 -7.184 1.00 0.02 H HETATM 1002 H70 LYS A 1 -8.030 0.773 -7.856 1.00 0.02 H HETATM 1003 H71 LYS A 1 -9.315 1.894 -7.291 1.00 0.02 H HETATM 1004 H64 LYS A 1 -9.018 1.070 -4.985 1.00 0.03 H HETATM 1005 H65 LYS A 1 -7.733 -0.050 -5.550 1.00 0.03 H HETATM 1006 CG2 LYS A 1 -6.431 1.807 -4.174 1.00 -0.06 C HETATM 1007 H66 LYS A 1 -5.682 2.600 -4.031 1.00 0.02 H HETATM 1008 H67 LYS A 1 -5.931 0.828 -4.188 1.00 0.02 H HETATM 1009 H68 LYS A 1 -7.157 1.836 -3.348 1.00 0.02 H HETATM 1010 H63 LYS A 1 -6.407 1.932 -6.294 1.00 0.03 H HETATM 1011 H62 LYS A 1 -8.215 3.571 -6.597 1.00 0.08 H HETATM 1012 H61 LYS A 1 -6.666 4.955 -4.564 1.00 0.19 H HETATM 1013 CB LYS A 1 -5.898 7.305 -6.128 1.00 -0.01 C HETATM 1014 CG LYS A 1 -5.107 8.575 -5.830 1.00 -0.04 C HETATM 1015 CD LYS A 1 -6.010 9.806 -5.771 1.00 -0.01 C HETATM 1016 CE LYS A 1 -7.131 9.655 -4.734 1.00 -0.04 C HETATM 1017 NZ LYS A 1 -6.619 9.404 -3.370 1.00 0.22 N HETATM 1018 H58 LYS A 1 -7.394 9.313 -2.732 1.00 0.20 H HETATM 1019 H59 LYS A 1 -6.036 10.174 -3.083 1.00 0.20 H HETATM 1020 H60 LYS A 1 -6.078 8.553 -3.365 1.00 0.20 H HETATM 1021 H56 LYS A 1 -7.772 8.811 -5.030 1.00 0.08 H HETATM 1022 H57 LYS A 1 -7.725 10.581 -4.721 1.00 0.08 H HETATM 1023 H54 LYS A 1 -6.463 9.961 -6.761 1.00 0.03 H HETATM 1024 H55 LYS A 1 -5.399 10.681 -5.506 1.00 0.03 H HETATM 1025 H52 LYS A 1 -4.357 8.721 -6.621 1.00 0.03 H HETATM 1026 H53 LYS A 1 -4.599 8.459 -4.861 1.00 0.03 H HETATM 1027 H50 LYS A 1 -6.648 7.179 -5.333 1.00 0.03 H HETATM 1028 H51 LYS A 1 -6.406 7.441 -7.094 1.00 0.03 H HETATM 1029 H49 LYS A 1 -4.504 5.867 -5.275 1.00 0.08 H HETATM 1030 H48 LYS A 1 -4.577 5.877 -8.228 1.00 0.19 H HETATM 1031 CB LYS A 1 -0.877 5.520 -8.583 1.00 -0.01 C HETATM 1032 CG LYS A 1 -0.875 4.092 -8.044 1.00 -0.04 C HETATM 1033 CD1 LYS A 1 -1.850 3.206 -8.805 1.00 -0.06 C HETATM 1034 H42 LYS A 1 -1.821 2.188 -8.390 1.00 0.02 H HETATM 1035 H43 LYS A 1 -1.567 3.177 -9.867 1.00 0.02 H HETATM 1036 H44 LYS A 1 -2.867 3.613 -8.708 1.00 0.02 H HETATM 1037 CD2 LYS A 1 0.507 3.531 -8.142 1.00 -0.06 C HETATM 1038 H45 LYS A 1 1.205 4.177 -7.590 1.00 0.02 H HETATM 1039 H46 LYS A 1 0.809 3.483 -9.198 1.00 0.02 H HETATM 1040 H47 LYS A 1 0.524 2.519 -7.710 1.00 0.02 H HETATM 1041 H41 LYS A 1 -1.177 4.115 -6.987 1.00 0.03 H HETATM 1042 H39 LYS A 1 -0.212 6.119 -7.943 1.00 0.03 H HETATM 1043 H40 LYS A 1 -0.473 5.491 -9.606 1.00 0.03 H HETATM 1044 H38 LYS A 1 -2.869 5.616 -9.286 1.00 0.08 H HETATM 1045 H37 LYS A 1 -1.221 7.964 -9.317 1.00 0.19 H HETATM 1046 CB LYS A 1 -2.546 10.528 -9.340 1.00 -0.01 C HETATM 1047 CG LYS A 1 -3.810 11.188 -8.911 1.00 -0.03 C HETATM 1048 CD LYS A 1 -4.698 11.187 -10.119 1.00 0.04 C HETATM 1049 H35 LYS A 1 -5.757 11.114 -9.830 1.00 0.05 H HETATM 1050 H36 LYS A 1 -4.544 12.094 -10.722 1.00 0.05 H HETATM 1051 H33 LYS A 1 -3.612 12.219 -8.581 1.00 0.03 H HETATM 1052 H34 LYS A 1 -4.278 10.624 -8.091 1.00 0.03 H HETATM 1053 H31 LYS A 1 -1.861 11.260 -9.794 1.00 0.03 H HETATM 1054 H32 LYS A 1 -2.052 10.045 -8.485 1.00 0.03 H HETATM 1055 H30 LYS A 1 -2.250 9.401 -11.192 1.00 0.08 H HETATM 1056 CB LYS A 1 -7.357 9.173 -11.335 1.00 -0.02 C HETATM 1057 H27 LYS A 1 -7.148 9.360 -10.271 1.00 0.03 H HETATM 1058 H28 LYS A 1 -7.310 8.092 -11.533 1.00 0.03 H HETATM 1059 H29 LYS A 1 -8.361 9.548 -11.583 1.00 0.03 H HETATM 1060 H26 LYS A 1 -6.370 10.974 -11.991 1.00 0.08 H HETATM 1061 H25 LYS A 1 -6.967 8.777 -13.858 1.00 0.19 H HETATM 1062 CB LYS A 1 -5.340 9.633 -16.621 1.00 -0.01 C HETATM 1063 CG1 LYS A 1 -5.659 9.034 -17.983 1.00 -0.06 C HETATM 1064 H19 LYS A 1 -4.730 8.684 -18.456 1.00 0.02 H HETATM 1065 H20 LYS A 1 -6.129 9.799 -18.619 1.00 0.02 H HETATM 1066 H21 LYS A 1 -6.348 8.186 -17.858 1.00 0.02 H HETATM 1067 CG2 LYS A 1 -4.292 10.732 -16.767 1.00 -0.06 C HETATM 1068 H22 LYS A 1 -4.068 11.159 -15.778 1.00 0.02 H HETATM 1069 H23 LYS A 1 -4.678 11.522 -17.428 1.00 0.02 H HETATM 1070 H24 LYS A 1 -3.374 10.308 -17.200 1.00 0.02 H HETATM 1071 H18 LYS A 1 -4.908 8.838 -15.995 1.00 0.03 H HETATM 1072 H17 LYS A 1 -7.361 9.319 -15.886 1.00 0.08 H HETATM 1073 H16 LYS A 1 -6.846 12.167 -16.463 1.00 0.19 H HETATM 1074 CB LYS A 1 -10.511 12.337 -17.740 1.00 0.01 C HETATM 1075 CG LYS A 1 -11.225 13.650 -18.005 1.00 -0.04 C HETATM 1076 CD LYS A 1 -10.989 14.649 -16.882 1.00 -0.01 C HETATM 1077 CE LYS A 1 -11.611 15.990 -17.200 1.00 -0.04 C HETATM 1078 NZ LYS A 1 -11.356 16.974 -16.135 1.00 0.22 N HETATM 1079 H13 LYS A 1 -11.784 17.853 -16.380 1.00 0.20 H HETATM 1080 H14 LYS A 1 -10.362 17.103 -16.027 1.00 0.20 H HETATM 1081 H15 LYS A 1 -11.748 16.640 -15.268 1.00 0.20 H HETATM 1082 H11 LYS A 1 -12.697 15.861 -17.314 1.00 0.08 H HETATM 1083 H12 LYS A 1 -11.186 16.366 -18.142 1.00 0.08 H HETATM 1084 H9 LYS A 1 -9.906 14.781 -16.741 1.00 0.03 H HETATM 1085 H10 LYS A 1 -11.434 14.258 -15.955 1.00 0.03 H HETATM 1086 H7 LYS A 1 -12.305 13.459 -18.092 1.00 0.03 H HETATM 1087 H8 LYS A 1 -10.851 14.077 -18.947 1.00 0.03 H HETATM 1088 H5 LYS A 1 -10.846 11.955 -16.764 1.00 0.03 H HETATM 1089 H6 LYS A 1 -10.796 11.626 -18.530 1.00 0.03 H HETATM 1090 H4 LYS A 1 -8.701 13.232 -17.004 1.00 0.11 H HETATM 1091 H1 LYS A 1 -8.841 13.664 -19.319 1.00 0.20 H HETATM 1092 H2 LYS A 1 -8.630 12.070 -19.674 1.00 0.20 H HETATM 1093 H3 LYS A 1 -7.428 12.914 -18.930 1.00 0.20 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 894 895 1091 1092 1093 CONECT 895 894 896 1074 1090 CONECT 896 895 897 898 CONECT 897 896 CONECT 898 896 899 1073 CONECT 899 898 900 1062 1072 CONECT 900 899 901 902 CONECT 901 900 CONECT 902 900 903 1061 CONECT 903 902 904 1056 1060 CONECT 904 903 905 906 CONECT 905 904 CONECT 906 904 907 1048 CONECT 907 906 908 1046 1055 CONECT 908 907 909 910 CONECT 909 908 CONECT 910 908 911 1045 CONECT 911 910 912 1031 1044 CONECT 912 911 913 914 CONECT 913 912 CONECT 914 912 915 1030 CONECT 915 914 916 1013 1029 CONECT 916 915 917 918 CONECT 917 916 CONECT 918 916 919 1012 CONECT 919 918 920 998 1011 CONECT 920 919 921 922 CONECT 921 920 CONECT 922 920 923 997 CONECT 923 922 924 980 996 CONECT 924 923 925 926 CONECT 925 924 CONECT 926 924 927 979 CONECT 927 926 928 965 978 CONECT 928 927 929 930 CONECT 929 928 CONECT 930 928 931 964 CONECT 931 930 932 962 963 CONECT 932 931 933 934 CONECT 933 932 CONECT 934 932 935 961 CONECT 935 934 936 959 960 CONECT 936 935 937 938 CONECT 937 936 CONECT 938 936 939 958 CONECT 939 938 940 943 957 CONECT 940 939 941 942 CONECT 941 940 CONECT 942 940 CONECT 943 939 944 955 956 CONECT 944 943 945 949 CONECT 945 944 946 954 CONECT 946 945 947 953 CONECT 947 946 948 952 CONECT 948 947 949 951 CONECT 949 944 948 950 CONECT 950 949 CONECT 951 948 CONECT 952 947 CONECT 953 946 CONECT 954 945 CONECT 955 943 CONECT 956 943 CONECT 957 939 CONECT 958 938 CONECT 959 935 CONECT 960 935 CONECT 961 934 CONECT 962 931 CONECT 963 931 CONECT 964 930 CONECT 965 927 966 976 977 CONECT 966 965 967 971 975 CONECT 967 966 968 969 970 CONECT 968 967 CONECT 969 967 CONECT 970 967 CONECT 971 966 972 973 974 CONECT 972 971 CONECT 973 971 CONECT 974 971 CONECT 975 966 CONECT 976 965 CONECT 977 965 CONECT 978 927 CONECT 979 926 CONECT 980 923 981 994 995 CONECT 981 980 982 992 993 CONECT 982 981 983 990 991 CONECT 983 982 984 988 989 CONECT 984 983 985 986 987 CONECT 985 984 CONECT 986 984 CONECT 987 984 CONECT 988 983 CONECT 989 983 CONECT 990 982 CONECT 991 982 CONECT 992 981 CONECT 993 981 CONECT 994 980 CONECT 995 980 CONECT 996 923 CONECT 997 922 CONECT 998 919 999 1006 1010 CONECT 999 998 1000 1004 1005 CONECT 1000 999 1001 1002 1003 CONECT 1001 1000 CONECT 1002 1000 CONECT 1003 1000 CONECT 1004 999 CONECT 1005 999 CONECT 1006 998 1007 1008 1009 CONECT 1007 1006 CONECT 1008 1006 CONECT 1009 1006 CONECT 1010 998 CONECT 1011 919 CONECT 1012 918 CONECT 1013 915 1014 1027 1028 CONECT 1014 1013 1015 1025 1026 CONECT 1015 1014 1016 1023 1024 CONECT 1016 1015 1017 1021 1022 CONECT 1017 1016 1018 1019 1020 CONECT 1018 1017 CONECT 1019 1017 CONECT 1020 1017 CONECT 1021 1016 CONECT 1022 1016 CONECT 1023 1015 CONECT 1024 1015 CONECT 1025 1014 CONECT 1026 1014 CONECT 1027 1013 CONECT 1028 1013 CONECT 1029 915 CONECT 1030 914 CONECT 1031 911 1032 1042 1043 CONECT 1032 1031 1033 1037 1041 CONECT 1033 1032 1034 1035 1036 CONECT 1034 1033 CONECT 1035 1033 CONECT 1036 1033 CONECT 1037 1032 1038 1039 1040 CONECT 1038 1037 CONECT 1039 1037 CONECT 1040 1037 CONECT 1041 1032 CONECT 1042 1031 CONECT 1043 1031 CONECT 1044 911 CONECT 1045 910 CONECT 1046 907 1047 1053 1054 CONECT 1047 1046 1048 1051 1052 CONECT 1048 906 1047 1049 1050 CONECT 1049 1048 CONECT 1050 1048 CONECT 1051 1047 CONECT 1052 1047 CONECT 1053 1046 CONECT 1054 1046 CONECT 1055 907 CONECT 1056 903 1057 1058 1059 CONECT 1057 1056 CONECT 1058 1056 CONECT 1059 1056 CONECT 1060 903 CONECT 1061 902 CONECT 1062 899 1063 1067 1071 CONECT 1063 1062 1064 1065 1066 CONECT 1064 1063 CONECT 1065 1063 CONECT 1066 1063 CONECT 1067 1062 1068 1069 1070 CONECT 1068 1067 CONECT 1069 1067 CONECT 1070 1067 CONECT 1071 1062 CONECT 1072 899 CONECT 1073 898 CONECT 1074 895 1075 1088 1089 CONECT 1075 1074 1076 1086 1087 CONECT 1076 1075 1077 1084 1085 CONECT 1077 1076 1078 1082 1083 CONECT 1078 1077 1079 1080 1081 CONECT 1079 1078 CONECT 1080 1078 CONECT 1081 1078 CONECT 1082 1077 CONECT 1083 1077 CONECT 1084 1076 CONECT 1085 1076 CONECT 1086 1075 CONECT 1087 1075 CONECT 1088 1074 CONECT 1089 1074 CONECT 1090 895 CONECT 1091 894 CONECT 1092 894 CONECT 1093 894 MASTER 0 0 0 0 0 0 0 0 1092 1 204 7 END
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1qwf
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PDBbind
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1x8s
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1xb7
RCSB PDB
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2a3i
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RCSB PDB
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2rol
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2v85
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2w10
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RCSB PDB
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3uef
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3uvw
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12-mer
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12-mer
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12-mer
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5i2i
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PDBbind
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5icy
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12-mer
5icz
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5id1
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5ih2
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5iop
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5ir1
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5itf
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5iv2
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5ivn
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12-mer
5ivz
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5ixq
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PDBbind
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5iyv
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12-mer
5lgr
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PDBbind
12-mer
5moc
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5n7x
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12-mer
5n8j
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5t1k
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5t1l
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12-mer
5t1m
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12-mer
5tbn
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12-mer
5th2
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12-mer
5v1d
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12-mer
5w4s
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12-mer
5w5s
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PDBbind
12-mer
5w5u
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PDBbind
12-mer
5w6i
RCSB PDB
PDBbind
12-mer
5w6r
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PDBbind
12-mer
5w6t
RCSB PDB
PDBbind
12-mer
5w6u
RCSB PDB
PDBbind
12-mer
5wle
RCSB PDB
PDBbind
12-mer
5wxf
RCSB PDB
PDBbind
12-mer
5wxo
RCSB PDB
PDBbind
12-mer
5xup
RCSB PDB
PDBbind
12-mer
5xwr
RCSB PDB
PDBbind
12-mer
5xxk
RCSB PDB
PDBbind
12-mer
5y1u
RCSB PDB
PDBbind
12-mer
5y59
RCSB PDB
PDBbind
12-mer
6e83
RCSB PDB
PDBbind
12-mer
6f7t
RCSB PDB
PDBbind
12-mer
6f8g
RCSB PDB
PDBbind
12-mer
6rr0
RCSB PDB
PDBbind
12-mer
6qtr
RCSB PDB
PDBbind
12-mer
6qto
RCSB PDB
PDBbind
12-mer
6pit
RCSB PDB
PDBbind
12-mer
6peu
RCSB PDB
PDBbind
12-mer
6o3x
RCSB PDB
PDBbind
12-mer
6nk0
RCSB PDB
PDBbind
12-mer
6mm5
RCSB PDB
PDBbind
12-mer
6k5t
RCSB PDB
PDBbind
12-mer
6k5r
RCSB PDB
PDBbind
12-mer
6iam
RCSB PDB
PDBbind
12-mer
6hy2
RCSB PDB
PDBbind
12-mer
6byk
RCSB PDB
PDBbind
12-mer
6bw4
RCSB PDB
PDBbind
12-mer
6bw3
RCSB PDB
PDBbind
12-mer
6a8g
RCSB PDB
PDBbind
12-mer
5zop
RCSB PDB
PDBbind
12-mer
Entry Information
PDB ID
6bgg
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Bromodomain-containing protein 3
Ligand Name
12-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=95uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) J. Biol. Chem. Vol. 293: pp. 7160-7175
Ligand Properties
Formula
C
6
2
H
1
1
1
N
1
5
O
1
3
Molecular Weight
1274.640
Exact Mass
1273.850
No. of atoms
201
No. of bonds
202
Polar Surface Area
459.17
LOGP Value
0.41 (
Computed with XLOGP3
)
-0.08 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 14
No. of Hydrogen Bond Acceptors: 13
No. of Rotatable Bonds: 53
No. of Nitrogen and Oxygen Atoms: 28
No. of Rings: 2
Canonical SMILES
CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)O)Cc1ccccc1)CC(C)C)CCCC[NH3+])NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCC[NH3+])[NH3+])C)CC(C)C)CCCC[NH3+])C
InChI String
InChI=1S/C62H107N15O13/c1-10-39(8)52(60(87)72-43(24-15-18-28-64)55(82)73-45(31-36(2)3)54(81)68-34-49(78)67-35-50(79)70-47(62(89)90)33-41-21-12-11-13-22-41)76-56(83)44(25-16-19-29-65)71-57(84)46(32-37(4)5)74-58(85)48-26-20-30-77(48)61(88)40(9)69-59(86)51(38(6)7)75-53(80)42(66)23-14-17-27-63/h11-13,21-22,36-40,42-48,51-52H,10,14-20,23-35,63-66H2,1-9H3,(H,67,78)(H,68,81)(H,69,86)(H,70,79)(H,71,84)(H,72,87)(H,73,82)(H,74,85)(H,75,80)(H,76,83)(H,89,90)/p+4/t39-,40-,42-,43-,44-,45-,46-,47-,48-,51-,52-/m0/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):
Q14839
Q15059
Entrez Gene ID
NCBI Entrez Gene ID:
1108
8019
ASD
Information of known allosteric effects of PDB entries
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