Browse entries in the PDBbind-CN Database
HEADER 3PKN_COMPLEX COMPND 3PKN_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 79 PRO LEU THR ALA SER MET LEU ALA SER ALA PRO PRO GLN SEQRES 2 A 79 GLU GLN LYS GLN MET LEU GLY GLU ARG LEU PHE PRO LEU SEQRES 3 A 79 ILE GLN ALA MET HIS PRO THR LEU ALA GLY LYS ILE THR SEQRES 4 A 79 GLY MET LEU LEU GLU ILE ASP ASN SER GLU LEU LEU HIS SEQRES 5 A 79 MET LEU GLU SER PRO GLU SER LEU ARG SER LYS VAL ASP SEQRES 6 A 79 GLU ALA VAL ALA VAL LEU GLN ALA HIS GLN ALA LYS GLU SEQRES 7 A 79 ALA HET LEU A 122 187 ATOM 1 N PRO A 544 0.325 -8.436 22.429 1.00 49.31 N ATOM 2 CA PRO A 544 0.943 -7.359 21.668 1.00 45.25 C ATOM 3 C PRO A 544 1.210 -7.740 20.210 1.00 40.34 C ATOM 4 O PRO A 544 1.494 -8.907 19.907 1.00 39.53 O ATOM 5 CB PRO A 544 2.268 -7.115 22.412 1.00 44.49 C ATOM 6 CG PRO A 544 2.193 -7.935 23.702 1.00 48.48 C ATOM 7 CD PRO A 544 0.788 -8.445 23.826 1.00 52.90 C ATOM 8 HA PRO A 544 0.298 -6.482 21.612 1.00 0.00 H ATOM 9 HD3 PRO A 544 0.769 -9.452 24.242 1.00 0.00 H ATOM 10 HD2 PRO A 544 0.182 -7.785 24.447 1.00 0.00 H ATOM 11 HG3 PRO A 544 2.439 -7.307 24.558 1.00 0.00 H ATOM 12 HG2 PRO A 544 2.891 -8.771 23.654 1.00 0.00 H ATOM 13 HB2 PRO A 544 3.110 -7.445 21.803 1.00 0.00 H ATOM 14 HB3 PRO A 544 2.382 -6.056 22.644 1.00 0.00 H ATOM 15 N LEU A 545 1.101 -6.760 19.314 1.00 37.86 N ATOM 16 CA LEU A 545 1.429 -6.964 17.904 1.00 33.18 C ATOM 17 C LEU A 545 2.906 -6.704 17.641 1.00 30.05 C ATOM 18 O LEU A 545 3.430 -5.646 18.004 1.00 31.03 O ATOM 19 CB LEU A 545 0.590 -6.050 17.009 1.00 33.78 C ATOM 20 CG LEU A 545 -0.467 -6.657 16.087 1.00 35.83 C ATOM 21 CD1 LEU A 545 -1.047 -5.546 15.205 1.00 35.99 C ATOM 22 CD2 LEU A 545 0.079 -7.799 15.216 1.00 30.02 C ATOM 23 HA LEU A 545 1.203 -8.004 17.667 1.00 0.00 H ATOM 24 HB2 LEU A 545 0.073 -5.351 17.666 1.00 0.00 H ATOM 25 HB3 LEU A 545 1.287 -5.502 16.374 1.00 0.00 H ATOM 26 HG LEU A 545 -1.243 -7.097 16.713 1.00 0.00 H ATOM 27 HD21 LEU A 545 0.888 -7.422 14.590 1.00 0.00 H ATOM 28 HD22 LEU A 545 0.456 -8.595 15.858 1.00 0.00 H ATOM 29 HD23 LEU A 545 -0.720 -8.187 14.585 1.00 0.00 H ATOM 30 HD11 LEU A 545 -1.501 -4.782 15.836 1.00 0.00 H ATOM 31 HD12 LEU A 545 -0.249 -5.101 14.611 1.00 0.00 H ATOM 32 HD13 LEU A 545 -1.803 -5.967 14.542 1.00 0.00 H ATOM 33 H LEU A 545 0.773 -5.824 19.626 1.00 0.00 H ATOM 34 N THR A 546 3.562 -7.678 17.010 1.00 26.91 N ATOM 35 CA THR A 546 4.981 -7.593 16.684 1.00 24.70 C ATOM 36 C THR A 546 5.198 -7.575 15.172 1.00 23.85 C ATOM 37 O THR A 546 4.287 -7.880 14.408 1.00 22.77 O ATOM 38 CB THR A 546 5.754 -8.799 17.245 1.00 25.48 C ATOM 39 OG1 THR A 546 5.326 -9.992 16.572 1.00 24.42 O ATOM 40 CG2 THR A 546 5.507 -8.936 18.753 1.00 26.59 C ATOM 41 HA THR A 546 5.347 -6.669 17.131 1.00 0.00 H ATOM 42 HB THR A 546 6.821 -8.647 17.079 1.00 0.00 H ATOM 43 HG1 THR A 546 5.823 -10.769 16.932 1.00 0.00 H ATOM 44 HG23 THR A 546 5.834 -8.027 19.258 1.00 0.00 H ATOM 45 HG21 THR A 546 4.443 -9.090 18.933 1.00 0.00 H ATOM 46 HG22 THR A 546 6.069 -9.788 19.136 1.00 0.00 H ATOM 47 H THR A 546 3.039 -8.535 16.739 1.00 0.00 H ATOM 48 N ALA A 547 6.411 -7.228 14.760 1.00 23.54 N ATOM 49 CA ALA A 547 6.791 -7.253 13.344 1.00 23.75 C ATOM 50 C ALA A 547 6.612 -8.654 12.753 1.00 23.55 C ATOM 51 O ALA A 547 6.120 -8.796 11.630 1.00 23.20 O ATOM 52 CB ALA A 547 8.215 -6.790 13.182 1.00 25.75 C ATOM 53 HA ALA A 547 6.135 -6.573 12.800 1.00 0.00 H ATOM 54 HB1 ALA A 547 8.310 -5.772 13.561 1.00 0.00 H ATOM 55 HB2 ALA A 547 8.877 -7.451 13.742 1.00 0.00 H ATOM 56 HB3 ALA A 547 8.485 -6.813 12.126 1.00 0.00 H ATOM 57 H ALA A 547 7.115 -6.929 15.465 1.00 0.00 H ATOM 58 N SER A 548 6.997 -9.678 13.519 1.00 24.16 N ATOM 59 CA SER A 548 6.905 -11.081 13.057 1.00 26.16 C ATOM 60 C SER A 548 5.458 -11.515 12.856 1.00 25.90 C ATOM 61 O SER A 548 5.134 -12.171 11.868 1.00 26.22 O ATOM 62 CB SER A 548 7.590 -12.029 14.042 1.00 28.04 C ATOM 63 OG SER A 548 8.991 -11.936 13.957 1.00 30.83 O ATOM 64 HA SER A 548 7.417 -11.131 12.096 1.00 0.00 H ATOM 65 HB2 SER A 548 7.288 -13.052 13.818 1.00 0.00 H ATOM 66 HB3 SER A 548 7.279 -11.774 15.055 1.00 0.00 H ATOM 67 HG SER A 548 9.402 -12.561 14.606 1.00 0.00 H ATOM 68 H SER A 548 7.373 -9.484 14.469 1.00 0.00 H ATOM 69 N MET A 549 4.589 -11.127 13.787 1.00 26.04 N ATOM 70 CA MET A 549 3.162 -11.423 13.686 1.00 28.33 C ATOM 71 C MET A 549 2.536 -10.779 12.452 1.00 27.53 C ATOM 72 O MET A 549 1.764 -11.408 11.736 1.00 28.43 O ATOM 73 CB MET A 549 2.437 -10.916 14.918 1.00 29.09 C ATOM 74 CG MET A 549 2.575 -11.820 16.099 1.00 32.74 C ATOM 75 SD MET A 549 1.812 -11.094 17.550 1.00 36.47 S ATOM 76 CE MET A 549 0.065 -11.349 17.175 1.00 39.14 C ATOM 77 HA MET A 549 3.062 -12.505 13.604 1.00 0.00 H ATOM 78 HB2 MET A 549 2.842 -9.939 15.181 1.00 0.00 H ATOM 79 HB3 MET A 549 1.378 -10.817 14.680 1.00 0.00 H ATOM 80 HG2 MET A 549 3.633 -11.989 16.298 1.00 0.00 H ATOM 81 HG3 MET A 549 2.091 -12.772 15.879 1.00 0.00 H ATOM 82 HE1 MET A 549 -0.185 -10.836 16.246 1.00 0.00 H ATOM 83 HE2 MET A 549 -0.130 -12.416 17.066 1.00 0.00 H ATOM 84 HE3 MET A 549 -0.542 -10.949 17.987 1.00 0.00 H ATOM 85 H MET A 549 4.937 -10.597 14.611 1.00 0.00 H ATOM 86 N LEU A 550 2.879 -9.516 12.220 1.00 27.22 N ATOM 87 CA LEU A 550 2.387 -8.760 11.080 1.00 27.42 C ATOM 88 C LEU A 550 2.834 -9.373 9.760 1.00 28.03 C ATOM 89 O LEU A 550 2.086 -9.391 8.793 1.00 28.91 O ATOM 90 CB LEU A 550 2.902 -7.324 11.166 1.00 27.83 C ATOM 91 CG LEU A 550 1.957 -6.122 11.070 1.00 29.92 C ATOM 92 CD1 LEU A 550 2.640 -4.976 10.324 1.00 29.78 C ATOM 93 CD2 LEU A 550 0.620 -6.434 10.447 1.00 30.16 C ATOM 94 HA LEU A 550 1.298 -8.779 11.110 1.00 0.00 H ATOM 95 HB2 LEU A 550 3.411 -7.238 12.126 1.00 0.00 H ATOM 96 HB3 LEU A 550 3.627 -7.209 10.360 1.00 0.00 H ATOM 97 HG LEU A 550 1.741 -5.826 12.096 1.00 0.00 H ATOM 98 HD21 LEU A 550 0.771 -6.805 9.433 1.00 0.00 H ATOM 99 HD22 LEU A 550 0.112 -7.194 11.041 1.00 0.00 H ATOM 100 HD23 LEU A 550 0.014 -5.528 10.418 1.00 0.00 H ATOM 101 HD11 LEU A 550 3.542 -4.681 10.861 1.00 0.00 H ATOM 102 HD12 LEU A 550 2.905 -5.305 9.319 1.00 0.00 H ATOM 103 HD13 LEU A 550 1.959 -4.127 10.262 1.00 0.00 H ATOM 104 H LEU A 550 3.528 -9.048 12.884 1.00 0.00 H ATOM 105 N ALA A 551 4.075 -9.856 9.723 1.00 29.13 N ATOM 106 CA ALA A 551 4.630 -10.516 8.537 1.00 31.43 C ATOM 107 C ALA A 551 4.018 -11.895 8.282 1.00 33.37 C ATOM 108 O ALA A 551 4.058 -12.390 7.152 1.00 35.52 O ATOM 109 CB ALA A 551 6.145 -10.615 8.651 1.00 32.83 C ATOM 110 HA ALA A 551 4.370 -9.897 7.678 1.00 0.00 H ATOM 111 HB1 ALA A 551 6.568 -9.614 8.734 1.00 0.00 H ATOM 112 HB2 ALA A 551 6.404 -11.195 9.537 1.00 0.00 H ATOM 113 HB3 ALA A 551 6.543 -11.107 7.764 1.00 0.00 H ATOM 114 H ALA A 551 4.674 -9.761 10.568 1.00 0.00 H ATOM 115 N SER A 552 3.446 -12.507 9.323 1.00 33.55 N ATOM 116 CA SER A 552 2.774 -13.808 9.181 1.00 36.65 C ATOM 117 C SER A 552 1.436 -13.666 8.467 1.00 36.09 C ATOM 118 O SER A 552 0.960 -14.609 7.836 1.00 39.34 O ATOM 119 CB SER A 552 2.565 -14.492 10.545 1.00 38.50 C ATOM 120 OG SER A 552 1.341 -14.086 11.161 1.00 39.16 O ATOM 121 HA SER A 552 3.430 -14.435 8.577 1.00 0.00 H ATOM 122 HB2 SER A 552 3.395 -14.230 11.202 1.00 0.00 H ATOM 123 HB3 SER A 552 2.545 -15.572 10.399 1.00 0.00 H ATOM 124 HG SER A 552 1.353 -13.106 11.303 1.00 0.00 H ATOM 125 H SER A 552 3.477 -12.052 10.258 1.00 0.00 H ATOM 126 N ALA A 553 0.828 -12.489 8.602 1.00 33.16 N ATOM 127 CA ALA A 553 -0.452 -12.175 7.997 1.00 32.60 C ATOM 128 C ALA A 553 -0.337 -11.990 6.486 1.00 32.44 C ATOM 129 O ALA A 553 0.724 -11.583 5.995 1.00 32.01 O ATOM 130 CB ALA A 553 -1.003 -10.922 8.617 1.00 31.76 C ATOM 131 HA ALA A 553 -1.124 -13.014 8.179 1.00 0.00 H ATOM 132 HB1 ALA A 553 -1.134 -11.075 9.688 1.00 0.00 H ATOM 133 HB2 ALA A 553 -0.308 -10.099 8.449 1.00 0.00 H ATOM 134 HB3 ALA A 553 -1.965 -10.686 8.162 1.00 0.00 H ATOM 135 H ALA A 553 1.296 -11.756 9.172 1.00 0.00 H ATOM 136 N PRO A 554 -1.429 -12.277 5.744 1.00 33.19 N ATOM 137 CA PRO A 554 -1.470 -11.945 4.317 1.00 33.49 C ATOM 138 C PRO A 554 -1.267 -10.436 4.151 1.00 32.12 C ATOM 139 O PRO A 554 -1.852 -9.663 4.910 1.00 31.30 O ATOM 140 CB PRO A 554 -2.892 -12.339 3.903 1.00 35.84 C ATOM 141 CG PRO A 554 -3.341 -13.324 4.916 1.00 36.74 C ATOM 142 CD PRO A 554 -2.679 -12.917 6.193 1.00 35.20 C ATOM 143 HA PRO A 554 -0.705 -12.445 3.724 1.00 0.00 H ATOM 144 HD3 PRO A 554 -3.300 -12.213 6.747 1.00 0.00 H ATOM 145 HD2 PRO A 554 -2.470 -13.785 6.818 1.00 0.00 H ATOM 146 HG3 PRO A 554 -3.033 -14.330 4.631 1.00 0.00 H ATOM 147 HG2 PRO A 554 -4.425 -13.293 5.023 1.00 0.00 H ATOM 148 HB2 PRO A 554 -3.545 -11.466 3.904 1.00 0.00 H ATOM 149 HB3 PRO A 554 -2.889 -12.788 2.910 1.00 0.00 H ATOM 150 N PRO A 555 -0.426 -10.015 3.190 1.00 32.85 N ATOM 151 CA PRO A 555 -0.098 -8.593 3.105 1.00 33.23 C ATOM 152 C PRO A 555 -1.329 -7.704 2.984 1.00 34.09 C ATOM 153 O PRO A 555 -1.335 -6.602 3.531 1.00 35.28 O ATOM 154 CB PRO A 555 0.783 -8.500 1.848 1.00 36.00 C ATOM 155 CG PRO A 555 1.377 -9.862 1.718 1.00 36.55 C ATOM 156 CD PRO A 555 0.276 -10.798 2.156 1.00 35.51 C ATOM 157 HA PRO A 555 0.397 -8.239 4.009 1.00 0.00 H ATOM 158 HD3 PRO A 555 -0.389 -11.038 1.326 1.00 0.00 H ATOM 159 HD2 PRO A 555 0.685 -11.719 2.571 1.00 0.00 H ATOM 160 HG3 PRO A 555 2.250 -9.965 2.363 1.00 0.00 H ATOM 161 HG2 PRO A 555 1.664 -10.061 0.685 1.00 0.00 H ATOM 162 HB2 PRO A 555 0.183 -8.254 0.972 1.00 0.00 H ATOM 163 HB3 PRO A 555 1.562 -7.748 1.976 1.00 0.00 H ATOM 164 N GLN A 556 -2.367 -8.192 2.309 1.00 34.97 N ATOM 165 CA GLN A 556 -3.596 -7.431 2.128 1.00 36.78 C ATOM 166 C GLN A 556 -4.453 -7.293 3.415 1.00 36.09 C ATOM 167 O GLN A 556 -5.516 -6.669 3.394 1.00 39.28 O ATOM 168 CB GLN A 556 -4.404 -7.981 0.928 1.00 39.29 C ATOM 169 CG GLN A 556 -5.105 -9.337 1.134 1.00 39.77 C ATOM 170 CD GLN A 556 -4.206 -10.556 0.923 1.00 38.94 C ATOM 171 OE1 GLN A 556 -2.983 -10.458 0.914 1.00 37.44 O ATOM 172 NE2 GLN A 556 -4.829 -11.723 0.763 1.00 41.63 N ATOM 173 HA GLN A 556 -3.297 -6.408 1.897 1.00 0.00 H ATOM 174 HB2 GLN A 556 -5.170 -7.246 0.680 1.00 0.00 H ATOM 175 HB3 GLN A 556 -3.718 -8.087 0.087 1.00 0.00 H ATOM 176 HG2 GLN A 556 -5.490 -9.370 2.153 1.00 0.00 H ATOM 177 HG3 GLN A 556 -5.936 -9.401 0.431 1.00 0.00 H ATOM 178 HE22 GLN A 556 -5.868 -11.764 0.777 1.00 0.00 H ATOM 179 HE21 GLN A 556 -4.276 -12.593 0.624 1.00 0.00 H ATOM 180 H GLN A 556 -2.299 -9.145 1.898 1.00 0.00 H ATOM 181 N GLU A 557 -3.973 -7.864 4.521 1.00 33.43 N ATOM 182 CA GLU A 557 -4.649 -7.826 5.830 1.00 31.54 C ATOM 183 C GLU A 557 -3.876 -6.980 6.859 1.00 27.31 C ATOM 184 O GLU A 557 -4.375 -6.719 7.955 1.00 25.00 O ATOM 185 CB GLU A 557 -4.775 -9.247 6.403 1.00 35.28 C ATOM 186 CG GLU A 557 -6.173 -9.879 6.434 1.00 41.09 C ATOM 187 CD GLU A 557 -6.596 -10.539 5.126 1.00 47.95 C ATOM 188 OE1 GLU A 557 -7.777 -10.384 4.749 1.00 51.60 O ATOM 189 OE2 GLU A 557 -5.779 -11.230 4.477 1.00 51.35 O ATOM 190 HA GLU A 557 -5.629 -7.379 5.660 1.00 0.00 H ATOM 191 HB2 GLU A 557 -4.136 -9.898 5.806 1.00 0.00 H ATOM 192 HB3 GLU A 557 -4.406 -9.219 7.428 1.00 0.00 H ATOM 193 HG2 GLU A 557 -6.188 -10.636 7.218 1.00 0.00 H ATOM 194 HG3 GLU A 557 -6.895 -9.098 6.671 1.00 0.00 H ATOM 195 H GLU A 557 -3.065 -8.367 4.455 1.00 0.00 H ATOM 196 N GLN A 558 -2.661 -6.559 6.524 1.00 26.10 N ATOM 197 CA GLN A 558 -1.776 -5.980 7.551 1.00 24.70 C ATOM 198 C GLN A 558 -2.275 -4.659 8.151 1.00 22.79 C ATOM 199 O GLN A 558 -2.167 -4.449 9.358 1.00 22.04 O ATOM 200 CB GLN A 558 -0.326 -5.910 7.062 1.00 26.57 C ATOM 201 CG GLN A 558 0.274 -7.304 6.832 1.00 29.64 C ATOM 202 CD GLN A 558 1.657 -7.271 6.200 1.00 34.88 C ATOM 203 OE1 GLN A 558 2.164 -6.206 5.840 1.00 33.90 O ATOM 204 NE2 GLN A 558 2.270 -8.457 6.043 1.00 38.63 N ATOM 205 HA GLN A 558 -1.804 -6.672 8.393 1.00 0.00 H ATOM 206 HB2 GLN A 558 -0.298 -5.356 6.124 1.00 0.00 H ATOM 207 HB3 GLN A 558 0.272 -5.388 7.809 1.00 0.00 H ATOM 208 HG2 GLN A 558 0.345 -7.812 7.794 1.00 0.00 H ATOM 209 HG3 GLN A 558 -0.393 -7.863 6.176 1.00 0.00 H ATOM 210 HE22 GLN A 558 1.803 -9.330 6.362 1.00 0.00 H ATOM 211 HE21 GLN A 558 3.211 -8.502 5.602 1.00 0.00 H ATOM 212 H GLN A 558 -2.335 -6.638 5.540 1.00 0.00 H ATOM 213 N LYS A 559 -2.855 -3.786 7.323 1.00 22.51 N ATOM 214 CA LYS A 559 -3.407 -2.520 7.818 1.00 22.18 C ATOM 215 C LYS A 559 -4.585 -2.749 8.774 1.00 21.68 C ATOM 216 O LYS A 559 -4.771 -1.995 9.745 1.00 21.36 O ATOM 217 CB LYS A 559 -3.842 -1.613 6.656 1.00 24.10 C ATOM 218 CG LYS A 559 -2.696 -1.017 5.838 1.00 25.93 C ATOM 219 CD LYS A 559 -1.827 -0.034 6.643 1.00 25.48 C ATOM 220 CE LYS A 559 -0.845 0.685 5.724 1.00 30.01 C ATOM 221 NZ LYS A 559 0.292 1.332 6.445 1.00 32.16 N ATOM 222 HA LYS A 559 -2.612 -2.022 8.373 1.00 0.00 H ATOM 223 HB2 LYS A 559 -4.468 -2.200 5.984 1.00 0.00 H ATOM 224 HB3 LYS A 559 -4.426 -0.791 7.069 1.00 0.00 H ATOM 225 HG2 LYS A 559 -2.063 -1.830 5.484 1.00 0.00 H ATOM 226 HG3 LYS A 559 -3.118 -0.488 4.983 1.00 0.00 H ATOM 227 HD2 LYS A 559 -2.470 0.701 7.127 1.00 0.00 H ATOM 228 HD3 LYS A 559 -1.271 -0.584 7.402 1.00 0.00 H ATOM 229 HE2 LYS A 559 -1.388 1.455 5.176 1.00 0.00 H ATOM 230 HE3 LYS A 559 -0.438 -0.041 5.020 1.00 0.00 H ATOM 231 HZ1 LYS A 559 -0.079 2.037 7.113 1.00 0.00 H ATOM 232 HZ2 LYS A 559 0.828 0.608 6.965 1.00 0.00 H ATOM 233 HZ3 LYS A 559 0.916 1.800 5.757 1.00 0.00 H ATOM 234 H LYS A 559 -2.916 -4.008 6.309 1.00 0.00 H ATOM 235 N GLN A 560 -5.401 -3.759 8.491 1.00 21.79 N ATOM 236 CA GLN A 560 -6.525 -4.056 9.381 1.00 23.59 C ATOM 237 C GLN A 560 -6.063 -4.628 10.712 1.00 22.56 C ATOM 238 O GLN A 560 -6.678 -4.367 11.738 1.00 22.95 O ATOM 239 CB GLN A 560 -7.591 -4.955 8.753 1.00 26.53 C ATOM 240 CG GLN A 560 -7.248 -5.626 7.455 1.00 32.35 C ATOM 241 CD GLN A 560 -7.271 -4.672 6.274 1.00 34.99 C ATOM 242 OE1 GLN A 560 -6.338 -4.642 5.492 1.00 36.11 O ATOM 243 NE2 GLN A 560 -8.333 -3.882 6.154 1.00 39.28 N ATOM 244 HA GLN A 560 -6.999 -3.092 9.562 1.00 0.00 H ATOM 245 HB2 GLN A 560 -7.826 -5.738 9.474 1.00 0.00 H ATOM 246 HB3 GLN A 560 -8.476 -4.343 8.581 1.00 0.00 H ATOM 247 HG2 GLN A 560 -6.249 -6.054 7.538 1.00 0.00 H ATOM 248 HG3 GLN A 560 -7.969 -6.423 7.273 1.00 0.00 H ATOM 249 HE22 GLN A 560 -9.107 -3.942 6.846 1.00 0.00 H ATOM 250 HE21 GLN A 560 -8.390 -3.203 5.368 1.00 0.00 H ATOM 251 H GLN A 560 -5.242 -4.336 7.641 1.00 0.00 H ATOM 252 N MET A 561 -5.001 -5.424 10.689 1.00 23.05 N ATOM 253 CA MET A 561 -4.408 -5.930 11.934 1.00 24.38 C ATOM 254 C MET A 561 -3.948 -4.797 12.840 1.00 22.16 C ATOM 255 O MET A 561 -4.139 -4.849 14.058 1.00 22.10 O ATOM 256 CB MET A 561 -3.219 -6.843 11.647 1.00 25.91 C ATOM 257 CG MET A 561 -3.608 -8.114 10.926 1.00 29.86 C ATOM 258 SD MET A 561 -2.294 -9.323 10.802 1.00 36.18 S ATOM 259 CE MET A 561 -1.915 -9.676 12.515 1.00 36.29 C ATOM 260 HA MET A 561 -5.189 -6.496 12.442 1.00 0.00 H ATOM 261 HB2 MET A 561 -2.504 -6.299 11.030 1.00 0.00 H ATOM 262 HB3 MET A 561 -2.750 -7.111 12.594 1.00 0.00 H ATOM 263 HG2 MET A 561 -3.926 -7.851 9.917 1.00 0.00 H ATOM 264 HG3 MET A 561 -4.441 -8.569 11.461 1.00 0.00 H ATOM 265 HE1 MET A 561 -1.598 -8.759 13.012 1.00 0.00 H ATOM 266 HE2 MET A 561 -2.804 -10.070 13.009 1.00 0.00 H ATOM 267 HE3 MET A 561 -1.114 -10.413 12.564 1.00 0.00 H ATOM 268 H MET A 561 -4.583 -5.693 9.776 1.00 0.00 H ATOM 269 N LEU A 562 -3.321 -3.793 12.230 1.00 21.22 N ATOM 270 CA LEU A 562 -2.902 -2.571 12.938 1.00 21.01 C ATOM 271 C LEU A 562 -4.104 -1.771 13.434 1.00 20.83 C ATOM 272 O LEU A 562 -4.130 -1.344 14.580 1.00 21.24 O ATOM 273 CB LEU A 562 -2.027 -1.707 12.032 1.00 21.73 C ATOM 274 CG LEU A 562 -0.628 -2.301 11.821 1.00 22.78 C ATOM 275 CD1 LEU A 562 0.056 -1.663 10.650 1.00 25.42 C ATOM 276 CD2 LEU A 562 0.224 -2.124 13.078 1.00 24.91 C ATOM 277 HA LEU A 562 -2.321 -2.874 13.809 1.00 0.00 H ATOM 278 HB2 LEU A 562 -2.516 -1.611 11.062 1.00 0.00 H ATOM 279 HB3 LEU A 562 -1.923 -0.721 12.484 1.00 0.00 H ATOM 280 HG LEU A 562 -0.745 -3.365 11.617 1.00 0.00 H ATOM 281 HD21 LEU A 562 0.320 -1.062 13.304 1.00 0.00 H ATOM 282 HD22 LEU A 562 -0.255 -2.633 13.915 1.00 0.00 H ATOM 283 HD23 LEU A 562 1.212 -2.551 12.909 1.00 0.00 H ATOM 284 HD11 LEU A 562 -0.535 -1.831 9.750 1.00 0.00 H ATOM 285 HD12 LEU A 562 0.154 -0.592 10.827 1.00 0.00 H ATOM 286 HD13 LEU A 562 1.045 -2.103 10.524 1.00 0.00 H ATOM 287 H LEU A 562 -3.119 -3.875 11.213 1.00 0.00 H ATOM 288 N GLY A 563 -5.102 -1.600 12.573 1.00 21.01 N ATOM 289 CA GLY A 563 -6.277 -0.789 12.897 1.00 21.66 C ATOM 290 C GLY A 563 -7.041 -1.400 14.055 1.00 21.65 C ATOM 291 O GLY A 563 -7.577 -0.683 14.904 1.00 22.70 O ATOM 292 HA3 GLY A 563 -6.929 -0.737 12.025 1.00 0.00 H ATOM 293 HA2 GLY A 563 -5.955 0.216 13.170 1.00 0.00 H ATOM 294 H GLY A 563 -5.046 -2.056 11.640 1.00 0.00 H ATOM 295 N GLU A 564 -7.055 -2.726 14.108 1.00 21.35 N ATOM 296 CA GLU A 564 -7.773 -3.458 15.166 1.00 22.83 C ATOM 297 C GLU A 564 -7.211 -3.205 16.561 1.00 22.44 C ATOM 298 O GLU A 564 -7.931 -3.288 17.566 1.00 23.63 O ATOM 299 CB GLU A 564 -7.750 -4.961 14.879 1.00 24.53 C ATOM 300 CG GLU A 564 -8.824 -5.398 13.915 1.00 27.51 C ATOM 301 CD GLU A 564 -10.194 -5.406 14.560 1.00 33.62 C ATOM 302 OE1 GLU A 564 -10.411 -6.200 15.503 1.00 36.65 O ATOM 303 OE2 GLU A 564 -11.052 -4.618 14.118 1.00 35.80 O ATOM 304 HA GLU A 564 -8.796 -3.083 15.155 1.00 0.00 H ATOM 305 HB2 GLU A 564 -6.779 -5.218 14.456 1.00 0.00 H ATOM 306 HB3 GLU A 564 -7.889 -5.496 15.819 1.00 0.00 H ATOM 307 HG2 GLU A 564 -8.837 -4.712 13.068 1.00 0.00 H ATOM 308 HG3 GLU A 564 -8.594 -6.404 13.563 1.00 0.00 H ATOM 309 H GLU A 564 -6.543 -3.265 13.380 1.00 0.00 H ATOM 310 N ARG A 565 -5.914 -2.922 16.609 1.00 21.75 N ATOM 311 CA ARG A 565 -5.202 -2.696 17.865 1.00 22.62 C ATOM 312 C ARG A 565 -5.098 -1.210 18.198 1.00 22.02 C ATOM 313 O ARG A 565 -5.107 -0.833 19.373 1.00 22.75 O ATOM 314 CB ARG A 565 -3.810 -3.325 17.797 1.00 23.79 C ATOM 315 CG ARG A 565 -3.817 -4.839 17.517 1.00 26.83 C ATOM 316 CD ARG A 565 -4.558 -5.633 18.579 1.00 32.47 C ATOM 317 NE ARG A 565 -4.277 -7.067 18.456 1.00 39.92 N ATOM 318 CZ ARG A 565 -3.284 -7.699 19.083 1.00 45.89 C ATOM 319 NH1 ARG A 565 -2.459 -7.041 19.893 1.00 48.14 N ATOM 320 NH2 ARG A 565 -3.117 -9.001 18.906 1.00 51.72 N ATOM 321 HA ARG A 565 -5.774 -3.170 18.663 1.00 0.00 H ATOM 322 HB2 ARG A 565 -3.250 -2.832 17.002 1.00 0.00 H ATOM 323 HB3 ARG A 565 -3.310 -3.155 18.751 1.00 0.00 H ATOM 324 HG2 ARG A 565 -4.297 -5.013 16.554 1.00 0.00 H ATOM 325 HG3 ARG A 565 -2.786 -5.190 17.476 1.00 0.00 H ATOM 326 HD2 ARG A 565 -5.629 -5.468 18.464 1.00 0.00 H ATOM 327 HD3 ARG A 565 -4.243 -5.291 19.565 1.00 0.00 H ATOM 328 HE ARG A 565 -4.895 -7.630 17.837 1.00 0.00 H ATOM 329 HH12 ARG A 565 -1.689 -7.548 20.375 1.00 0.00 H ATOM 330 HH11 ARG A 565 -2.584 -6.020 20.044 1.00 0.00 H ATOM 331 HH22 ARG A 565 -2.344 -9.497 19.393 1.00 0.00 H ATOM 332 HH21 ARG A 565 -3.759 -9.527 18.280 1.00 0.00 H ATOM 333 H ARG A 565 -5.384 -2.859 15.717 1.00 0.00 H ATOM 334 N LEU A 566 -4.985 -0.383 17.158 1.00 23.17 N ATOM 335 CA LEU A 566 -4.947 1.077 17.304 1.00 22.85 C ATOM 336 C LEU A 566 -6.273 1.674 17.772 1.00 21.32 C ATOM 337 O LEU A 566 -6.300 2.533 18.655 1.00 21.63 O ATOM 338 CB LEU A 566 -4.543 1.726 15.973 1.00 22.81 C ATOM 339 CG LEU A 566 -3.092 1.680 15.516 1.00 25.89 C ATOM 340 CD1 LEU A 566 -3.028 2.070 14.049 1.00 28.14 C ATOM 341 CD2 LEU A 566 -2.220 2.607 16.361 1.00 28.94 C ATOM 342 HA LEU A 566 -4.208 1.289 18.077 1.00 0.00 H ATOM 343 HB2 LEU A 566 -5.134 1.244 15.195 1.00 0.00 H ATOM 344 HB3 LEU A 566 -4.820 2.778 16.038 1.00 0.00 H ATOM 345 HG LEU A 566 -2.707 0.668 15.643 1.00 0.00 H ATOM 346 HD21 LEU A 566 -2.583 3.630 16.268 1.00 0.00 H ATOM 347 HD22 LEU A 566 -2.268 2.297 17.405 1.00 0.00 H ATOM 348 HD23 LEU A 566 -1.189 2.553 16.011 1.00 0.00 H ATOM 349 HD11 LEU A 566 -3.623 1.370 13.462 1.00 0.00 H ATOM 350 HD12 LEU A 566 -3.423 3.078 13.925 1.00 0.00 H ATOM 351 HD13 LEU A 566 -1.992 2.040 13.711 1.00 0.00 H ATOM 352 H LEU A 566 -4.921 -0.790 16.203 1.00 0.00 H ATOM 353 N PHE A 567 -7.371 1.237 17.167 1.00 20.55 N ATOM 354 CA PHE A 567 -8.681 1.819 17.447 1.00 20.11 C ATOM 355 C PHE A 567 -9.074 1.940 18.944 1.00 19.98 C ATOM 356 O PHE A 567 -9.437 3.035 19.360 1.00 20.07 O ATOM 357 CB PHE A 567 -9.771 1.125 16.628 1.00 19.83 C ATOM 358 CG PHE A 567 -11.153 1.682 16.866 1.00 19.78 C ATOM 359 CD1 PHE A 567 -11.572 2.843 16.214 1.00 20.42 C ATOM 360 CD2 PHE A 567 -12.023 1.052 17.733 1.00 18.49 C ATOM 361 CE1 PHE A 567 -12.847 3.354 16.435 1.00 21.29 C ATOM 362 CE2 PHE A 567 -13.302 1.566 17.948 1.00 20.71 C ATOM 363 CZ PHE A 567 -13.709 2.709 17.290 1.00 20.02 C ATOM 364 HA PHE A 567 -8.589 2.857 17.129 1.00 0.00 H ATOM 365 HB2 PHE A 567 -9.532 1.237 15.571 1.00 0.00 H ATOM 366 HB3 PHE A 567 -9.776 0.066 16.888 1.00 0.00 H ATOM 367 HD2 PHE A 567 -11.709 0.147 18.253 1.00 0.00 H ATOM 368 HE2 PHE A 567 -13.981 1.064 18.637 1.00 0.00 H ATOM 369 HZ PHE A 567 -14.714 3.100 17.448 1.00 0.00 H ATOM 370 HE1 PHE A 567 -13.163 4.267 15.930 1.00 0.00 H ATOM 371 HD1 PHE A 567 -10.896 3.352 15.527 1.00 0.00 H ATOM 372 H PHE A 567 -7.297 0.462 16.477 1.00 0.00 H ATOM 373 N PRO A 568 -8.989 0.849 19.756 1.00 20.91 N ATOM 374 CA PRO A 568 -9.437 0.990 21.157 1.00 21.10 C ATOM 375 C PRO A 568 -8.685 2.069 21.920 1.00 21.33 C ATOM 376 O PRO A 568 -9.281 2.756 22.770 1.00 20.83 O ATOM 377 CB PRO A 568 -9.154 -0.391 21.772 1.00 22.76 C ATOM 378 CG PRO A 568 -9.101 -1.315 20.585 1.00 23.99 C ATOM 379 CD PRO A 568 -8.492 -0.514 19.490 1.00 21.65 C ATOM 380 HA PRO A 568 -10.483 1.292 21.207 1.00 0.00 H ATOM 381 HD3 PRO A 568 -7.404 -0.550 19.537 1.00 0.00 H ATOM 382 HD2 PRO A 568 -8.824 -0.868 18.514 1.00 0.00 H ATOM 383 HG3 PRO A 568 -10.104 -1.640 20.308 1.00 0.00 H ATOM 384 HG2 PRO A 568 -8.487 -2.187 20.807 1.00 0.00 H ATOM 385 HB2 PRO A 568 -8.204 -0.390 22.306 1.00 0.00 H ATOM 386 HB3 PRO A 568 -9.952 -0.682 22.455 1.00 0.00 H ATOM 387 N LEU A 569 -7.392 2.221 21.611 1.00 21.05 N ATOM 388 CA LEU A 569 -6.554 3.230 22.267 1.00 21.35 C ATOM 389 C LEU A 569 -6.933 4.637 21.834 1.00 20.82 C ATOM 390 O LEU A 569 -7.022 5.558 22.656 1.00 20.90 O ATOM 391 CB LEU A 569 -5.072 2.971 21.979 1.00 21.93 C ATOM 392 CG LEU A 569 -4.503 1.642 22.472 1.00 23.36 C ATOM 393 CD1 LEU A 569 -3.044 1.492 22.067 1.00 23.78 C ATOM 394 CD2 LEU A 569 -4.652 1.510 23.985 1.00 24.18 C ATOM 395 HA LEU A 569 -6.725 3.150 23.341 1.00 0.00 H ATOM 396 HB2 LEU A 569 -4.933 3.011 20.899 1.00 0.00 H ATOM 397 HB3 LEU A 569 -4.499 3.771 22.448 1.00 0.00 H ATOM 398 HG LEU A 569 -5.074 0.842 22.002 1.00 0.00 H ATOM 399 HD21 LEU A 569 -4.116 2.323 24.474 1.00 0.00 H ATOM 400 HD22 LEU A 569 -5.708 1.558 24.250 1.00 0.00 H ATOM 401 HD23 LEU A 569 -4.238 0.554 24.308 1.00 0.00 H ATOM 402 HD11 LEU A 569 -2.965 1.526 20.980 1.00 0.00 H ATOM 403 HD12 LEU A 569 -2.462 2.305 22.501 1.00 0.00 H ATOM 404 HD13 LEU A 569 -2.664 0.537 22.430 1.00 0.00 H ATOM 405 H LEU A 569 -6.970 1.607 20.886 1.00 0.00 H ATOM 406 N ILE A 570 -7.131 4.807 20.527 1.00 20.01 N ATOM 407 CA ILE A 570 -7.526 6.106 19.982 1.00 20.36 C ATOM 408 C ILE A 570 -8.930 6.489 20.471 1.00 19.88 C ATOM 409 O ILE A 570 -9.182 7.640 20.826 1.00 20.91 O ATOM 410 CB ILE A 570 -7.425 6.114 18.451 1.00 19.42 C ATOM 411 CG1 ILE A 570 -5.960 5.920 18.037 1.00 19.70 C ATOM 412 CG2 ILE A 570 -7.983 7.427 17.870 1.00 19.70 C ATOM 413 CD1 ILE A 570 -5.752 5.798 16.517 1.00 20.39 C ATOM 414 HA ILE A 570 -6.834 6.864 20.349 1.00 0.00 H ATOM 415 HB ILE A 570 -8.023 5.295 18.052 1.00 0.00 H ATOM 416 HG12 ILE A 570 -5.386 6.775 18.395 1.00 0.00 H ATOM 417 HG13 ILE A 570 -5.587 5.011 18.509 1.00 0.00 H ATOM 418 HD11 ILE A 570 -6.310 4.940 16.143 1.00 0.00 H ATOM 419 HD12 ILE A 570 -6.108 6.705 16.029 1.00 0.00 H ATOM 420 HD13 ILE A 570 -4.691 5.663 16.306 1.00 0.00 H ATOM 421 HG21 ILE A 570 -9.030 7.532 18.153 1.00 0.00 H ATOM 422 HG22 ILE A 570 -7.413 8.268 18.264 1.00 0.00 H ATOM 423 HG23 ILE A 570 -7.899 7.406 16.783 1.00 0.00 H ATOM 424 H ILE A 570 -7.002 4.001 19.882 1.00 0.00 H ATOM 425 N GLN A 571 -9.823 5.513 20.526 1.00 19.74 N ATOM 426 CA GLN A 571 -11.174 5.721 21.061 1.00 20.22 C ATOM 427 C GLN A 571 -11.199 6.167 22.546 1.00 20.67 C ATOM 428 O GLN A 571 -12.041 6.984 22.937 1.00 20.62 O ATOM 429 CB GLN A 571 -12.010 4.461 20.862 1.00 20.07 C ATOM 430 CG GLN A 571 -13.459 4.626 21.217 1.00 21.27 C ATOM 431 CD GLN A 571 -14.195 3.313 21.185 1.00 22.86 C ATOM 432 OE1 GLN A 571 -15.112 3.142 20.396 1.00 27.26 O ATOM 433 NE2 GLN A 571 -13.777 2.367 22.019 1.00 24.51 N ATOM 434 HA GLN A 571 -11.607 6.548 20.498 1.00 0.00 H ATOM 435 HB2 GLN A 571 -11.945 4.168 19.814 1.00 0.00 H ATOM 436 HB3 GLN A 571 -11.592 3.670 21.485 1.00 0.00 H ATOM 437 HG2 GLN A 571 -13.531 5.047 22.220 1.00 0.00 H ATOM 438 HG3 GLN A 571 -13.922 5.308 20.504 1.00 0.00 H ATOM 439 HE22 GLN A 571 -12.992 2.560 22.673 1.00 0.00 H ATOM 440 HE21 GLN A 571 -14.235 1.433 22.018 1.00 0.00 H ATOM 441 H GLN A 571 -9.559 4.569 20.179 1.00 0.00 H ATOM 442 N ALA A 572 -10.273 5.649 23.355 1.00 21.04 N ATOM 443 CA ALA A 572 -10.073 6.141 24.723 1.00 21.99 C ATOM 444 C ALA A 572 -9.805 7.654 24.722 1.00 22.66 C ATOM 445 O ALA A 572 -10.373 8.416 25.507 1.00 22.81 O ATOM 446 CB ALA A 572 -8.916 5.401 25.387 1.00 23.19 C ATOM 447 HA ALA A 572 -10.984 5.953 25.292 1.00 0.00 H ATOM 448 HB1 ALA A 572 -9.140 4.335 25.420 1.00 0.00 H ATOM 449 HB2 ALA A 572 -8.004 5.564 24.812 1.00 0.00 H ATOM 450 HB3 ALA A 572 -8.780 5.777 26.401 1.00 0.00 H ATOM 451 H ALA A 572 -9.675 4.873 23.006 1.00 0.00 H ATOM 452 N MET A 573 -8.951 8.081 23.804 1.00 22.92 N ATOM 453 CA MET A 573 -8.559 9.473 23.712 1.00 24.45 C ATOM 454 C MET A 573 -9.661 10.350 23.130 1.00 23.26 C ATOM 455 O MET A 573 -9.894 11.455 23.637 1.00 23.34 O ATOM 456 CB MET A 573 -7.301 9.585 22.867 1.00 24.76 C ATOM 457 CG MET A 573 -6.231 8.588 23.268 1.00 26.11 C ATOM 458 SD MET A 573 -4.940 8.428 22.050 1.00 30.03 S ATOM 459 CE MET A 573 -4.227 10.034 22.222 1.00 27.78 C ATOM 460 HA MET A 573 -8.367 9.833 24.723 1.00 0.00 H ATOM 461 HB2 MET A 573 -7.566 9.411 21.824 1.00 0.00 H ATOM 462 HB3 MET A 573 -6.897 10.592 22.975 1.00 0.00 H ATOM 463 HG2 MET A 573 -6.699 7.614 23.409 1.00 0.00 H ATOM 464 HG3 MET A 573 -5.785 8.915 24.207 1.00 0.00 H ATOM 465 HE1 MET A 573 -4.978 10.790 21.994 1.00 0.00 H ATOM 466 HE2 MET A 573 -3.875 10.166 23.245 1.00 0.00 H ATOM 467 HE3 MET A 573 -3.389 10.134 21.533 1.00 0.00 H ATOM 468 H MET A 573 -8.550 7.398 23.130 1.00 0.00 H ATOM 469 N HIS A 574 -10.319 9.850 22.077 1.00 21.77 N ATOM 470 CA HIS A 574 -11.311 10.606 21.299 1.00 22.38 C ATOM 471 C HIS A 574 -12.507 9.733 20.892 1.00 21.98 C ATOM 472 O HIS A 574 -12.568 9.267 19.758 1.00 21.75 O ATOM 473 CB HIS A 574 -10.665 11.245 20.058 1.00 22.25 C ATOM 474 CG HIS A 574 -9.636 12.282 20.388 1.00 23.48 C ATOM 475 ND1 HIS A 574 -9.968 13.570 20.746 1.00 25.50 N ATOM 476 CD2 HIS A 574 -8.286 12.212 20.446 1.00 24.74 C ATOM 477 CE1 HIS A 574 -8.865 14.253 20.999 1.00 25.12 C ATOM 478 NE2 HIS A 574 -7.831 13.450 20.833 1.00 25.38 N ATOM 479 HA HIS A 574 -11.687 11.400 21.944 1.00 0.00 H ATOM 480 HB2 HIS A 574 -10.188 10.459 19.473 1.00 0.00 H ATOM 481 HB3 HIS A 574 -11.449 11.713 19.463 1.00 0.00 H ATOM 482 HD2 HIS A 574 -7.674 11.337 20.227 1.00 0.00 H ATOM 483 HE1 HIS A 574 -8.818 15.301 21.294 1.00 0.00 H ATOM 484 H HIS A 574 -10.117 8.870 21.793 1.00 0.00 H ATOM 485 N PRO A 575 -13.449 9.500 21.834 1.00 22.27 N ATOM 486 CA PRO A 575 -14.580 8.581 21.659 1.00 22.52 C ATOM 487 C PRO A 575 -15.429 8.798 20.404 1.00 23.10 C ATOM 488 O PRO A 575 -15.853 7.835 19.759 1.00 23.81 O ATOM 489 CB PRO A 575 -15.406 8.798 22.942 1.00 23.23 C ATOM 490 CG PRO A 575 -14.414 9.226 23.954 1.00 23.41 C ATOM 491 CD PRO A 575 -13.431 10.088 23.191 1.00 22.97 C ATOM 492 HA PRO A 575 -14.221 7.562 21.511 1.00 0.00 H ATOM 493 HD3 PRO A 575 -13.756 11.128 23.171 1.00 0.00 H ATOM 494 HD2 PRO A 575 -12.435 10.028 23.630 1.00 0.00 H ATOM 495 HG3 PRO A 575 -13.911 8.362 24.389 1.00 0.00 H ATOM 496 HG2 PRO A 575 -14.896 9.801 24.745 1.00 0.00 H ATOM 497 HB2 PRO A 575 -16.159 9.571 22.789 1.00 0.00 H ATOM 498 HB3 PRO A 575 -15.894 7.872 23.248 1.00 0.00 H ATOM 499 N THR A 576 -15.661 10.047 20.035 1.00 23.66 N ATOM 500 CA THR A 576 -16.552 10.319 18.910 1.00 24.61 C ATOM 501 C THR A 576 -15.837 10.201 17.567 1.00 24.09 C ATOM 502 O THR A 576 -16.374 9.608 16.631 1.00 24.82 O ATOM 503 CB THR A 576 -17.257 11.675 19.051 1.00 26.14 C ATOM 504 OG1 THR A 576 -16.331 12.734 18.778 1.00 28.12 O ATOM 505 CG2 THR A 576 -17.803 11.828 20.464 1.00 26.94 C ATOM 506 HA THR A 576 -17.322 9.548 18.932 1.00 0.00 H ATOM 507 HB THR A 576 -18.081 11.724 18.339 1.00 0.00 H ATOM 508 HG1 THR A 576 -16.791 13.605 18.871 1.00 0.00 H ATOM 509 HG23 THR A 576 -18.507 11.022 20.669 1.00 0.00 H ATOM 510 HG21 THR A 576 -16.980 11.784 21.177 1.00 0.00 H ATOM 511 HG22 THR A 576 -18.312 12.788 20.554 1.00 0.00 H ATOM 512 H THR A 576 -15.210 10.833 20.545 1.00 0.00 H ATOM 513 N LEU A 577 -14.629 10.748 17.475 1.00 23.72 N ATOM 514 CA LEU A 577 -13.925 10.824 16.200 1.00 23.35 C ATOM 515 C LEU A 577 -12.869 9.740 15.954 1.00 22.29 C ATOM 516 O LEU A 577 -12.206 9.744 14.912 1.00 21.42 O ATOM 517 CB LEU A 577 -13.330 12.221 16.023 1.00 25.82 C ATOM 518 CG LEU A 577 -14.321 13.329 15.637 1.00 27.04 C ATOM 519 CD1 LEU A 577 -13.639 14.665 15.743 1.00 30.12 C ATOM 520 CD2 LEU A 577 -14.849 13.082 14.208 1.00 29.80 C ATOM 521 HA LEU A 577 -14.681 10.627 15.440 1.00 0.00 H ATOM 522 HB2 LEU A 577 -12.860 12.506 16.964 1.00 0.00 H ATOM 523 HB3 LEU A 577 -12.571 12.165 15.242 1.00 0.00 H ATOM 524 HG LEU A 577 -15.173 13.321 16.317 1.00 0.00 H ATOM 525 HD21 LEU A 577 -14.014 13.084 13.508 1.00 0.00 H ATOM 526 HD22 LEU A 577 -15.354 12.117 14.170 1.00 0.00 H ATOM 527 HD23 LEU A 577 -15.551 13.871 13.940 1.00 0.00 H ATOM 528 HD11 LEU A 577 -13.300 14.818 16.768 1.00 0.00 H ATOM 529 HD12 LEU A 577 -12.783 14.689 15.069 1.00 0.00 H ATOM 530 HD13 LEU A 577 -14.341 15.453 15.469 1.00 0.00 H ATOM 531 H LEU A 577 -14.176 11.130 18.330 1.00 0.00 H ATOM 532 N ALA A 578 -12.744 8.796 16.884 1.00 21.51 N ATOM 533 CA ALA A 578 -11.721 7.735 16.786 1.00 20.81 C ATOM 534 C ALA A 578 -11.652 7.080 15.396 1.00 21.11 C ATOM 535 O ALA A 578 -10.562 6.786 14.904 1.00 21.44 O ATOM 536 CB ALA A 578 -11.969 6.656 17.844 1.00 20.30 C ATOM 537 HA ALA A 578 -10.762 8.223 16.959 1.00 0.00 H ATOM 538 HB1 ALA A 578 -11.923 7.105 18.836 1.00 0.00 H ATOM 539 HB2 ALA A 578 -12.954 6.216 17.688 1.00 0.00 H ATOM 540 HB3 ALA A 578 -11.206 5.882 17.758 1.00 0.00 H ATOM 541 H ALA A 578 -13.385 8.806 17.703 1.00 0.00 H ATOM 542 N GLY A 579 -12.811 6.820 14.790 1.00 20.87 N ATOM 543 CA GLY A 579 -12.863 6.126 13.489 1.00 21.41 C ATOM 544 C GLY A 579 -12.162 6.897 12.386 1.00 21.76 C ATOM 545 O GLY A 579 -11.432 6.337 11.554 1.00 21.47 O ATOM 546 HA3 GLY A 579 -13.907 5.987 13.209 1.00 0.00 H ATOM 547 HA2 GLY A 579 -12.384 5.153 13.593 1.00 0.00 H ATOM 548 H GLY A 579 -13.699 7.113 15.245 1.00 0.00 H ATOM 549 N LYS A 580 -12.393 8.202 12.375 1.00 22.23 N ATOM 550 CA LYS A 580 -11.747 9.071 11.400 1.00 22.59 C ATOM 551 C LYS A 580 -10.235 9.162 11.688 1.00 21.52 C ATOM 552 O LYS A 580 -9.427 9.018 10.783 1.00 21.39 O ATOM 553 CB LYS A 580 -12.413 10.445 11.414 1.00 24.03 C ATOM 554 CG LYS A 580 -11.922 11.428 10.352 1.00 26.61 C ATOM 555 CD LYS A 580 -12.084 10.871 8.949 1.00 28.57 C ATOM 556 CE LYS A 580 -12.468 11.958 7.984 1.00 31.21 C ATOM 557 NZ LYS A 580 -12.287 11.547 6.570 1.00 30.68 N ATOM 558 HA LYS A 580 -11.864 8.652 10.400 1.00 0.00 H ATOM 559 HB2 LYS A 580 -13.484 10.301 11.268 1.00 0.00 H ATOM 560 HB3 LYS A 580 -12.238 10.893 12.392 1.00 0.00 H ATOM 561 HG2 LYS A 580 -12.496 12.351 10.434 1.00 0.00 H ATOM 562 HG3 LYS A 580 -10.867 11.640 10.528 1.00 0.00 H ATOM 563 HD2 LYS A 580 -11.142 10.426 8.630 1.00 0.00 H ATOM 564 HD3 LYS A 580 -12.861 10.107 8.955 1.00 0.00 H ATOM 565 HE2 LYS A 580 -11.848 12.833 8.177 1.00 0.00 H ATOM 566 HE3 LYS A 580 -13.515 12.214 8.143 1.00 0.00 H ATOM 567 HZ1 LYS A 580 -11.288 11.308 6.405 1.00 0.00 H ATOM 568 HZ2 LYS A 580 -12.881 10.716 6.373 1.00 0.00 H ATOM 569 HZ3 LYS A 580 -12.565 12.330 5.944 1.00 0.00 H ATOM 570 H LYS A 580 -13.046 8.612 13.073 1.00 0.00 H ATOM 571 N ILE A 581 -9.864 9.388 12.947 1.00 20.81 N ATOM 572 CA ILE A 581 -8.442 9.485 13.327 1.00 20.70 C ATOM 573 C ILE A 581 -7.657 8.204 13.000 1.00 20.36 C ATOM 574 O ILE A 581 -6.545 8.271 12.467 1.00 20.99 O ATOM 575 CB ILE A 581 -8.277 9.825 14.818 1.00 20.85 C ATOM 576 CG1 ILE A 581 -8.880 11.193 15.151 1.00 20.99 C ATOM 577 CG2 ILE A 581 -6.796 9.767 15.248 1.00 20.88 C ATOM 578 CD1 ILE A 581 -9.094 11.376 16.652 1.00 22.52 C ATOM 579 HA ILE A 581 -8.027 10.297 12.729 1.00 0.00 H ATOM 580 HB ILE A 581 -8.823 9.069 15.382 1.00 0.00 H ATOM 581 HG12 ILE A 581 -8.205 11.971 14.794 1.00 0.00 H ATOM 582 HG13 ILE A 581 -9.841 11.287 14.645 1.00 0.00 H ATOM 583 HD11 ILE A 581 -9.774 10.606 17.017 1.00 0.00 H ATOM 584 HD12 ILE A 581 -8.137 11.291 17.167 1.00 0.00 H ATOM 585 HD13 ILE A 581 -9.523 12.360 16.839 1.00 0.00 H ATOM 586 HG21 ILE A 581 -6.408 8.763 15.077 1.00 0.00 H ATOM 587 HG22 ILE A 581 -6.221 10.485 14.663 1.00 0.00 H ATOM 588 HG23 ILE A 581 -6.717 10.013 16.307 1.00 0.00 H ATOM 589 H ILE A 581 -10.594 9.499 13.679 1.00 0.00 H ATOM 590 N THR A 582 -8.235 7.044 13.313 1.00 19.94 N ATOM 591 CA THR A 582 -7.613 5.747 12.988 1.00 20.73 C ATOM 592 C THR A 582 -7.385 5.607 11.483 1.00 21.03 C ATOM 593 O THR A 582 -6.319 5.191 11.053 1.00 21.57 O ATOM 594 CB THR A 582 -8.425 4.542 13.554 1.00 20.71 C ATOM 595 OG1 THR A 582 -8.747 4.784 14.933 1.00 20.56 O ATOM 596 CG2 THR A 582 -7.616 3.267 13.465 1.00 22.29 C ATOM 597 HA THR A 582 -6.640 5.728 13.480 1.00 0.00 H ATOM 598 HB THR A 582 -9.336 4.434 12.965 1.00 0.00 H ATOM 599 HG1 THR A 582 -9.289 5.609 15.004 1.00 0.00 H ATOM 600 HG23 THR A 582 -7.364 3.070 12.423 1.00 0.00 H ATOM 601 HG21 THR A 582 -6.701 3.377 14.047 1.00 0.00 H ATOM 602 HG22 THR A 582 -8.202 2.438 13.861 1.00 0.00 H ATOM 603 H THR A 582 -9.153 7.054 13.802 1.00 0.00 H ATOM 604 N GLY A 583 -8.378 5.997 10.688 1.00 21.09 N ATOM 605 CA GLY A 583 -8.256 6.016 9.232 1.00 22.16 C ATOM 606 C GLY A 583 -7.086 6.847 8.750 1.00 23.09 C ATOM 607 O GLY A 583 -6.382 6.455 7.816 1.00 23.50 O ATOM 608 HA3 GLY A 583 -9.173 6.429 8.811 1.00 0.00 H ATOM 609 HA2 GLY A 583 -8.125 4.993 8.880 1.00 0.00 H ATOM 610 H GLY A 583 -9.275 6.300 11.119 1.00 0.00 H ATOM 611 N MET A 584 -6.869 7.984 9.414 1.00 22.91 N ATOM 612 CA MET A 584 -5.796 8.917 9.063 1.00 24.71 C ATOM 613 C MET A 584 -4.424 8.336 9.381 1.00 24.81 C ATOM 614 O MET A 584 -3.507 8.409 8.552 1.00 25.11 O ATOM 615 CB MET A 584 -6.004 10.252 9.783 1.00 25.01 C ATOM 616 CG MET A 584 -7.211 11.049 9.272 1.00 25.31 C ATOM 617 SD MET A 584 -7.567 12.504 10.285 1.00 27.93 S ATOM 618 CE MET A 584 -6.243 13.642 9.856 1.00 27.18 C ATOM 619 HA MET A 584 -5.834 9.088 7.987 1.00 0.00 H ATOM 620 HB2 MET A 584 -6.149 10.051 10.845 1.00 0.00 H ATOM 621 HB3 MET A 584 -5.109 10.859 9.648 1.00 0.00 H ATOM 622 HG2 MET A 584 -8.086 10.399 9.276 1.00 0.00 H ATOM 623 HG3 MET A 584 -7.007 11.375 8.252 1.00 0.00 H ATOM 624 HE1 MET A 584 -5.282 13.189 10.101 1.00 0.00 H ATOM 625 HE2 MET A 584 -6.283 13.858 8.788 1.00 0.00 H ATOM 626 HE3 MET A 584 -6.364 14.567 10.420 1.00 0.00 H ATOM 627 H MET A 584 -7.489 8.218 10.216 1.00 0.00 H ATOM 628 N LEU A 585 -4.295 7.748 10.572 1.00 24.07 N ATOM 629 CA LEU A 585 -3.033 7.159 11.004 1.00 25.01 C ATOM 630 C LEU A 585 -2.641 5.885 10.249 1.00 25.12 C ATOM 631 O LEU A 585 -1.452 5.589 10.100 1.00 25.61 O ATOM 632 CB LEU A 585 -3.041 6.910 12.510 1.00 24.96 C ATOM 633 CG LEU A 585 -3.091 8.151 13.422 1.00 27.64 C ATOM 634 CD1 LEU A 585 -2.713 7.757 14.824 1.00 27.47 C ATOM 635 CD2 LEU A 585 -2.203 9.310 12.934 1.00 31.41 C ATOM 636 HA LEU A 585 -2.267 7.895 10.758 1.00 0.00 H ATOM 637 HB2 LEU A 585 -3.914 6.298 12.738 1.00 0.00 H ATOM 638 HB3 LEU A 585 -2.136 6.356 12.757 1.00 0.00 H ATOM 639 HG LEU A 585 -4.114 8.525 13.395 1.00 0.00 H ATOM 640 HD21 LEU A 585 -1.166 8.978 12.891 1.00 0.00 H ATOM 641 HD22 LEU A 585 -2.527 9.621 11.941 1.00 0.00 H ATOM 642 HD23 LEU A 585 -2.289 10.148 13.625 1.00 0.00 H ATOM 643 HD11 LEU A 585 -3.414 7.007 15.191 1.00 0.00 H ATOM 644 HD12 LEU A 585 -1.704 7.345 14.825 1.00 0.00 H ATOM 645 HD13 LEU A 585 -2.748 8.635 15.469 1.00 0.00 H ATOM 646 H LEU A 585 -5.116 7.709 11.209 1.00 0.00 H ATOM 647 N LEU A 586 -3.627 5.144 9.756 1.00 25.57 N ATOM 648 CA LEU A 586 -3.321 3.913 9.037 1.00 25.67 C ATOM 649 C LEU A 586 -2.550 4.160 7.745 1.00 27.35 C ATOM 650 O LEU A 586 -1.992 3.228 7.169 1.00 27.46 O ATOM 651 CB LEU A 586 -4.581 3.076 8.775 1.00 26.66 C ATOM 652 CG LEU A 586 -5.157 2.277 9.949 1.00 26.22 C ATOM 653 CD1 LEU A 586 -6.382 1.474 9.488 1.00 26.09 C ATOM 654 CD2 LEU A 586 -4.150 1.337 10.578 1.00 26.15 C ATOM 655 HA LEU A 586 -2.666 3.338 9.692 1.00 0.00 H ATOM 656 HB2 LEU A 586 -5.359 3.757 8.430 1.00 0.00 H ATOM 657 HB3 LEU A 586 -4.343 2.367 7.983 1.00 0.00 H ATOM 658 HG LEU A 586 -5.441 3.004 10.710 1.00 0.00 H ATOM 659 HD21 LEU A 586 -3.804 0.624 9.830 1.00 0.00 H ATOM 660 HD22 LEU A 586 -3.303 1.912 10.953 1.00 0.00 H ATOM 661 HD23 LEU A 586 -4.620 0.801 11.403 1.00 0.00 H ATOM 662 HD11 LEU A 586 -7.143 2.158 9.112 1.00 0.00 H ATOM 663 HD12 LEU A 586 -6.087 0.786 8.696 1.00 0.00 H ATOM 664 HD13 LEU A 586 -6.783 0.910 10.330 1.00 0.00 H ATOM 665 H LEU A 586 -4.616 5.441 9.883 1.00 0.00 H ATOM 666 N GLU A 587 -2.493 5.421 7.315 1.00 29.04 N ATOM 667 CA GLU A 587 -1.702 5.792 6.145 1.00 31.46 C ATOM 668 C GLU A 587 -0.195 5.777 6.434 1.00 31.00 C ATOM 669 O GLU A 587 0.626 5.705 5.509 1.00 32.96 O ATOM 670 CB GLU A 587 -2.179 7.140 5.589 1.00 34.06 C ATOM 671 CG GLU A 587 -3.639 7.083 5.128 1.00 37.76 C ATOM 672 CD GLU A 587 -4.051 8.225 4.222 1.00 43.25 C ATOM 673 OE1 GLU A 587 -3.236 9.144 4.003 1.00 47.55 O ATOM 674 OE2 GLU A 587 -5.201 8.199 3.721 1.00 47.19 O ATOM 675 HA GLU A 587 -1.861 5.037 5.375 1.00 0.00 H ATOM 676 HB2 GLU A 587 -2.084 7.896 6.368 1.00 0.00 H ATOM 677 HB3 GLU A 587 -1.552 7.414 4.741 1.00 0.00 H ATOM 678 HG2 GLU A 587 -3.791 6.148 4.590 1.00 0.00 H ATOM 679 HG3 GLU A 587 -4.277 7.100 6.011 1.00 0.00 H ATOM 680 H GLU A 587 -3.024 6.156 7.824 1.00 0.00 H ATOM 681 N ILE A 588 0.158 5.826 7.718 1.00 29.20 N ATOM 682 CA ILE A 588 1.550 5.769 8.159 1.00 28.79 C ATOM 683 C ILE A 588 2.139 4.381 7.883 1.00 28.92 C ATOM 684 O ILE A 588 1.409 3.388 7.798 1.00 27.17 O ATOM 685 CB ILE A 588 1.682 6.140 9.669 1.00 27.73 C ATOM 686 CG1 ILE A 588 1.209 7.585 9.908 1.00 28.61 C ATOM 687 CG2 ILE A 588 3.109 5.952 10.168 1.00 28.40 C ATOM 688 CD1 ILE A 588 1.136 8.009 11.378 1.00 29.30 C ATOM 689 HA ILE A 588 2.117 6.506 7.590 1.00 0.00 H ATOM 690 HB ILE A 588 1.044 5.463 10.237 1.00 0.00 H ATOM 691 HG12 ILE A 588 1.899 8.256 9.396 1.00 0.00 H ATOM 692 HG13 ILE A 588 0.214 7.691 9.476 1.00 0.00 H ATOM 693 HD11 ILE A 588 0.438 7.360 11.908 1.00 0.00 H ATOM 694 HD12 ILE A 588 2.125 7.926 11.828 1.00 0.00 H ATOM 695 HD13 ILE A 588 0.793 9.042 11.440 1.00 0.00 H ATOM 696 HG21 ILE A 588 3.402 4.910 10.041 1.00 0.00 H ATOM 697 HG22 ILE A 588 3.780 6.592 9.595 1.00 0.00 H ATOM 698 HG23 ILE A 588 3.162 6.220 11.223 1.00 0.00 H ATOM 699 H ILE A 588 -0.589 5.908 8.437 1.00 0.00 H ATOM 700 N ASP A 589 3.460 4.325 7.730 1.00 30.25 N ATOM 701 CA ASP A 589 4.152 3.071 7.483 1.00 31.14 C ATOM 702 C ASP A 589 4.016 2.114 8.673 1.00 29.27 C ATOM 703 O ASP A 589 4.014 2.545 9.843 1.00 28.33 O ATOM 704 CB ASP A 589 5.614 3.331 7.149 1.00 33.58 C ATOM 705 CG ASP A 589 5.776 4.308 6.002 1.00 38.58 C ATOM 706 OD1 ASP A 589 5.050 4.178 4.979 1.00 41.37 O ATOM 707 OD2 ASP A 589 6.622 5.219 6.127 1.00 44.87 O ATOM 708 HA ASP A 589 3.685 2.588 6.625 1.00 0.00 H ATOM 709 HB2 ASP A 589 6.108 3.740 8.030 1.00 0.00 H ATOM 710 HB3 ASP A 589 6.085 2.387 6.875 1.00 0.00 H ATOM 711 H ASP A 589 4.013 5.204 7.789 1.00 0.00 H ATOM 712 N ASN A 590 3.911 0.822 8.362 1.00 28.81 N ATOM 713 CA ASN A 590 3.620 -0.208 9.378 1.00 27.54 C ATOM 714 C ASN A 590 4.627 -0.266 10.528 1.00 27.09 C ATOM 715 O ASN A 590 4.233 -0.451 11.676 1.00 26.94 O ATOM 716 CB ASN A 590 3.472 -1.592 8.736 1.00 28.38 C ATOM 717 CG ASN A 590 2.309 -1.664 7.759 1.00 29.88 C ATOM 718 OD1 ASN A 590 1.407 -0.823 7.785 1.00 29.04 O ATOM 719 ND2 ASN A 590 2.325 -2.670 6.892 1.00 32.26 N ATOM 720 HA ASN A 590 2.672 0.095 9.822 1.00 0.00 H ATOM 721 HB2 ASN A 590 4.392 -1.829 8.202 1.00 0.00 H ATOM 722 HB3 ASN A 590 3.312 -2.327 9.525 1.00 0.00 H ATOM 723 HD22 ASN A 590 3.106 -3.356 6.906 1.00 0.00 H ATOM 724 HD21 ASN A 590 1.556 -2.771 6.199 1.00 0.00 H ATOM 725 H ASN A 590 4.038 0.531 7.372 1.00 0.00 H ATOM 726 N SER A 591 5.917 -0.091 10.234 1.00 28.42 N ATOM 727 CA SER A 591 6.934 -0.123 11.294 1.00 28.55 C ATOM 728 C SER A 591 6.667 0.961 12.340 1.00 28.75 C ATOM 729 O SER A 591 6.766 0.712 13.551 1.00 28.09 O ATOM 730 CB SER A 591 8.361 -0.015 10.720 1.00 31.53 C ATOM 731 OG SER A 591 8.658 1.305 10.314 1.00 32.39 O ATOM 732 HA SER A 591 6.863 -1.091 11.790 1.00 0.00 H ATOM 733 HB2 SER A 591 8.448 -0.678 9.860 1.00 0.00 H ATOM 734 HB3 SER A 591 9.075 -0.319 11.485 1.00 0.00 H ATOM 735 HG SER A 591 9.579 1.338 9.952 1.00 0.00 H ATOM 736 H SER A 591 6.204 0.069 9.247 1.00 0.00 H ATOM 737 N GLU A 592 6.307 2.151 11.869 1.00 28.76 N ATOM 738 CA GLU A 592 6.059 3.281 12.767 1.00 29.49 C ATOM 739 C GLU A 592 4.779 3.029 13.557 1.00 27.34 C ATOM 740 O GLU A 592 4.717 3.311 14.756 1.00 28.06 O ATOM 741 CB GLU A 592 5.970 4.590 11.978 1.00 31.33 C ATOM 742 CG GLU A 592 5.813 5.843 12.839 1.00 34.00 C ATOM 743 CD GLU A 592 5.927 7.136 12.034 1.00 39.06 C ATOM 744 OE1 GLU A 592 6.526 7.115 10.931 1.00 41.57 O ATOM 745 OE2 GLU A 592 5.428 8.181 12.509 1.00 42.63 O ATOM 746 HA GLU A 592 6.891 3.375 13.465 1.00 0.00 H ATOM 747 HB2 GLU A 592 6.881 4.694 11.388 1.00 0.00 H ATOM 748 HB3 GLU A 592 5.111 4.527 11.310 1.00 0.00 H ATOM 749 HG2 GLU A 592 4.834 5.816 13.317 1.00 0.00 H ATOM 750 HG3 GLU A 592 6.590 5.839 13.604 1.00 0.00 H ATOM 751 H GLU A 592 6.199 2.282 10.843 1.00 0.00 H ATOM 752 N LEU A 593 3.775 2.458 12.892 1.00 25.61 N ATOM 753 CA LEU A 593 2.512 2.118 13.558 1.00 24.30 C ATOM 754 C LEU A 593 2.706 1.090 14.668 1.00 23.98 C ATOM 755 O LEU A 593 2.098 1.212 15.741 1.00 24.17 O ATOM 756 CB LEU A 593 1.458 1.650 12.550 1.00 23.42 C ATOM 757 CG LEU A 593 0.808 2.701 11.640 1.00 24.94 C ATOM 758 CD1 LEU A 593 -0.138 2.045 10.642 1.00 24.04 C ATOM 759 CD2 LEU A 593 0.076 3.818 12.426 1.00 25.12 C ATOM 760 HA LEU A 593 2.146 3.031 14.027 1.00 0.00 H ATOM 761 HB2 LEU A 593 1.934 0.912 11.904 1.00 0.00 H ATOM 762 HB3 LEU A 593 0.658 1.173 13.116 1.00 0.00 H ATOM 763 HG LEU A 593 1.623 3.181 11.098 1.00 0.00 H ATOM 764 HD21 LEU A 593 -0.712 3.375 13.035 1.00 0.00 H ATOM 765 HD22 LEU A 593 0.788 4.334 13.070 1.00 0.00 H ATOM 766 HD23 LEU A 593 -0.361 4.528 11.724 1.00 0.00 H ATOM 767 HD11 LEU A 593 0.419 1.341 10.024 1.00 0.00 H ATOM 768 HD12 LEU A 593 -0.922 1.514 11.182 1.00 0.00 H ATOM 769 HD13 LEU A 593 -0.585 2.812 10.009 1.00 0.00 H ATOM 770 H LEU A 593 3.889 2.249 11.880 1.00 0.00 H ATOM 771 N LEU A 594 3.569 0.100 14.426 1.00 23.79 N ATOM 772 CA LEU A 594 3.901 -0.899 15.445 1.00 23.72 C ATOM 773 C LEU A 594 4.545 -0.237 16.658 1.00 25.21 C ATOM 774 O LEU A 594 4.213 -0.574 17.802 1.00 25.49 O ATOM 775 CB LEU A 594 4.829 -1.998 14.885 1.00 23.53 C ATOM 776 CG LEU A 594 4.278 -3.071 13.938 1.00 23.00 C ATOM 777 CD1 LEU A 594 5.446 -3.867 13.316 1.00 24.34 C ATOM 778 CD2 LEU A 594 3.269 -4.015 14.608 1.00 21.41 C ATOM 779 HA LEU A 594 2.968 -1.372 15.752 1.00 0.00 H ATOM 780 HB2 LEU A 594 5.629 -1.488 14.349 1.00 0.00 H ATOM 781 HB3 LEU A 594 5.246 -2.523 15.744 1.00 0.00 H ATOM 782 HG LEU A 594 3.726 -2.553 13.154 1.00 0.00 H ATOM 783 HD21 LEU A 594 3.751 -4.528 15.440 1.00 0.00 H ATOM 784 HD22 LEU A 594 2.422 -3.437 14.977 1.00 0.00 H ATOM 785 HD23 LEU A 594 2.921 -4.748 13.880 1.00 0.00 H ATOM 786 HD11 LEU A 594 6.090 -3.188 12.757 1.00 0.00 H ATOM 787 HD12 LEU A 594 6.021 -4.345 14.109 1.00 0.00 H ATOM 788 HD13 LEU A 594 5.048 -4.628 12.644 1.00 0.00 H ATOM 789 H LEU A 594 4.017 0.036 13.490 1.00 0.00 H ATOM 790 N HIS A 595 5.450 0.710 16.408 1.00 26.99 N ATOM 791 CA HIS A 595 6.105 1.460 17.484 1.00 29.69 C ATOM 792 C HIS A 595 5.113 2.272 18.301 1.00 30.26 C ATOM 793 O HIS A 595 5.197 2.313 19.532 1.00 31.96 O ATOM 794 CB HIS A 595 7.180 2.400 16.927 1.00 31.70 C ATOM 795 CG HIS A 595 7.892 3.177 17.985 1.00 36.12 C ATOM 796 ND1 HIS A 595 7.724 4.535 18.159 1.00 39.40 N ATOM 797 CD2 HIS A 595 8.759 2.780 18.946 1.00 39.63 C ATOM 798 CE1 HIS A 595 8.465 4.942 19.173 1.00 41.63 C ATOM 799 NE2 HIS A 595 9.102 3.896 19.669 1.00 42.13 N ATOM 800 HA HIS A 595 6.568 0.720 18.136 1.00 0.00 H ATOM 801 HB2 HIS A 595 7.913 1.804 16.383 1.00 0.00 H ATOM 802 HB3 HIS A 595 6.705 3.102 16.242 1.00 0.00 H ATOM 803 HD2 HIS A 595 9.118 1.765 19.114 1.00 0.00 H ATOM 804 HE1 HIS A 595 8.539 5.966 19.539 1.00 0.00 H ATOM 805 H HIS A 595 5.698 0.923 15.421 1.00 0.00 H ATOM 806 N MET A 596 4.198 2.940 17.603 1.00 29.58 N ATOM 807 CA MET A 596 3.143 3.728 18.237 1.00 30.98 C ATOM 808 C MET A 596 2.242 2.858 19.111 1.00 29.35 C ATOM 809 O MET A 596 1.786 3.294 20.161 1.00 29.75 O ATOM 810 CB MET A 596 2.297 4.437 17.179 1.00 30.45 C ATOM 811 CG MET A 596 2.890 5.728 16.632 1.00 33.63 C ATOM 812 SD MET A 596 2.239 6.121 14.985 1.00 34.77 S ATOM 813 CE MET A 596 0.554 6.543 15.387 1.00 36.20 C ATOM 814 HA MET A 596 3.627 4.469 18.873 1.00 0.00 H ATOM 815 HB2 MET A 596 2.156 3.750 16.344 1.00 0.00 H ATOM 816 HB3 MET A 596 1.329 4.672 17.622 1.00 0.00 H ATOM 817 HG2 MET A 596 3.973 5.620 16.568 1.00 0.00 H ATOM 818 HG3 MET A 596 2.647 6.544 17.312 1.00 0.00 H ATOM 819 HE1 MET A 596 0.069 5.688 15.857 1.00 0.00 H ATOM 820 HE2 MET A 596 0.547 7.389 16.074 1.00 0.00 H ATOM 821 HE3 MET A 596 0.020 6.809 14.475 1.00 0.00 H ATOM 822 H MET A 596 4.235 2.900 16.564 1.00 0.00 H ATOM 823 N LEU A 597 1.981 1.628 18.672 1.00 27.18 N ATOM 824 CA LEU A 597 1.156 0.711 19.472 1.00 27.24 C ATOM 825 C LEU A 597 1.745 0.393 20.834 1.00 28.69 C ATOM 826 O LEU A 597 1.007 0.152 21.791 1.00 29.83 O ATOM 827 CB LEU A 597 0.904 -0.594 18.725 1.00 25.97 C ATOM 828 CG LEU A 597 -0.312 -0.486 17.816 1.00 24.79 C ATOM 829 CD1 LEU A 597 -0.341 -1.662 16.865 1.00 26.89 C ATOM 830 CD2 LEU A 597 -1.605 -0.420 18.649 1.00 26.22 C ATOM 831 HA LEU A 597 0.217 1.240 19.636 1.00 0.00 H ATOM 832 HB2 LEU A 597 1.779 -0.832 18.121 1.00 0.00 H ATOM 833 HB3 LEU A 597 0.736 -1.391 19.449 1.00 0.00 H ATOM 834 HG LEU A 597 -0.243 0.433 17.234 1.00 0.00 H ATOM 835 HD21 LEU A 597 -1.693 -1.323 19.253 1.00 0.00 H ATOM 836 HD22 LEU A 597 -1.571 0.453 19.301 1.00 0.00 H ATOM 837 HD23 LEU A 597 -2.463 -0.343 17.981 1.00 0.00 H ATOM 838 HD11 LEU A 597 0.566 -1.661 16.260 1.00 0.00 H ATOM 839 HD12 LEU A 597 -0.396 -2.589 17.436 1.00 0.00 H ATOM 840 HD13 LEU A 597 -1.213 -1.581 16.216 1.00 0.00 H ATOM 841 H LEU A 597 2.363 1.314 17.757 1.00 0.00 H ATOM 842 N GLU A 598 3.071 0.379 20.918 1.00 38.26 N ATOM 843 CA GLU A 598 3.733 0.040 22.175 1.00 36.64 C ATOM 844 C GLU A 598 4.377 1.226 22.902 1.00 32.31 C ATOM 845 O GLU A 598 4.921 1.064 23.996 1.00 31.69 O ATOM 846 CB GLU A 598 4.732 -1.099 21.957 1.00 40.22 C ATOM 847 CG GLU A 598 4.155 -2.265 21.133 1.00 47.36 C ATOM 848 CD GLU A 598 3.249 -3.209 21.922 1.00 52.42 C ATOM 849 OE1 GLU A 598 3.438 -3.361 23.150 1.00 51.32 O ATOM 850 OE2 GLU A 598 2.352 -3.821 21.299 1.00 58.15 O ATOM 851 HA GLU A 598 2.944 -0.293 22.849 1.00 0.00 H ATOM 852 HB2 GLU A 598 5.601 -0.702 21.433 1.00 0.00 H ATOM 853 HB3 GLU A 598 5.039 -1.481 22.930 1.00 0.00 H ATOM 854 HG2 GLU A 598 3.577 -1.847 20.309 1.00 0.00 H ATOM 855 HG3 GLU A 598 4.987 -2.845 20.734 1.00 0.00 H ATOM 856 H GLU A 598 3.643 0.612 20.081 1.00 0.00 H ATOM 857 N SER A 599 4.290 2.413 22.303 1.00 29.42 N ATOM 858 CA SER A 599 4.761 3.654 22.933 1.00 26.40 C ATOM 859 C SER A 599 3.625 4.672 23.058 1.00 24.41 C ATOM 860 O SER A 599 3.368 5.431 22.131 1.00 23.66 O ATOM 861 CB SER A 599 5.940 4.252 22.150 1.00 27.52 C ATOM 862 OG SER A 599 6.206 5.606 22.523 1.00 28.49 O ATOM 863 HA SER A 599 5.107 3.408 23.937 1.00 0.00 H ATOM 864 HB2 SER A 599 5.707 4.220 21.086 1.00 0.00 H ATOM 865 HB3 SER A 599 6.830 3.653 22.344 1.00 0.00 H ATOM 866 HG SER A 599 5.405 6.160 22.344 1.00 0.00 H ATOM 867 H SER A 599 3.872 2.463 21.352 1.00 0.00 H ATOM 868 N PRO A 600 2.932 4.685 24.211 1.00 23.90 N ATOM 869 CA PRO A 600 1.835 5.637 24.417 1.00 23.56 C ATOM 870 C PRO A 600 2.168 7.116 24.097 1.00 22.91 C ATOM 871 O PRO A 600 1.332 7.793 23.508 1.00 22.43 O ATOM 872 CB PRO A 600 1.495 5.451 25.894 1.00 25.39 C ATOM 873 CG PRO A 600 1.822 3.987 26.144 1.00 26.17 C ATOM 874 CD PRO A 600 3.101 3.781 25.369 1.00 25.46 C ATOM 875 HA PRO A 600 1.014 5.433 23.729 1.00 0.00 H ATOM 876 HD3 PRO A 600 3.970 4.062 25.963 1.00 0.00 H ATOM 877 HD2 PRO A 600 3.203 2.745 25.047 1.00 0.00 H ATOM 878 HG3 PRO A 600 1.029 3.340 25.769 1.00 0.00 H ATOM 879 HG2 PRO A 600 1.973 3.796 27.206 1.00 0.00 H ATOM 880 HB2 PRO A 600 2.106 6.101 26.521 1.00 0.00 H ATOM 881 HB3 PRO A 600 0.441 5.654 26.081 1.00 0.00 H ATOM 882 N GLU A 601 3.349 7.614 24.482 1.00 23.31 N ATOM 883 CA GLU A 601 3.699 9.014 24.177 1.00 24.33 C ATOM 884 C GLU A 601 3.710 9.273 22.666 1.00 23.60 C ATOM 885 O GLU A 601 3.221 10.315 22.178 1.00 23.49 O ATOM 886 CB GLU A 601 5.045 9.412 24.802 1.00 27.36 C ATOM 887 CG GLU A 601 5.311 10.906 24.712 1.00 32.29 C ATOM 888 CD GLU A 601 4.219 11.730 25.389 1.00 37.91 C ATOM 889 OE1 GLU A 601 4.195 11.767 26.642 1.00 40.79 O ATOM 890 OE2 GLU A 601 3.384 12.337 24.666 1.00 40.99 O ATOM 891 HA GLU A 601 2.925 9.639 24.623 1.00 0.00 H ATOM 892 HB2 GLU A 601 5.043 9.120 25.852 1.00 0.00 H ATOM 893 HB3 GLU A 601 5.843 8.883 24.281 1.00 0.00 H ATOM 894 HG2 GLU A 601 6.264 11.122 25.195 1.00 0.00 H ATOM 895 HG3 GLU A 601 5.364 11.190 23.661 1.00 0.00 H ATOM 896 H GLU A 601 4.022 7.012 24.998 1.00 0.00 H ATOM 897 N SER A 602 4.237 8.301 21.922 1.00 23.14 N ATOM 898 CA SER A 602 4.323 8.433 20.476 1.00 24.78 C ATOM 899 C SER A 602 2.923 8.466 19.839 1.00 22.87 C ATOM 900 O SER A 602 2.645 9.290 18.962 1.00 23.30 O ATOM 901 CB SER A 602 5.144 7.287 19.897 1.00 26.53 C ATOM 902 OG SER A 602 5.339 7.474 18.513 1.00 33.65 O ATOM 903 HA SER A 602 4.818 9.377 20.246 1.00 0.00 H ATOM 904 HB2 SER A 602 4.617 6.347 20.062 1.00 0.00 H ATOM 905 HB3 SER A 602 6.113 7.251 20.395 1.00 0.00 H ATOM 906 HG SER A 602 5.820 8.326 18.361 1.00 0.00 H ATOM 907 H SER A 602 4.591 7.438 22.381 1.00 0.00 H ATOM 908 N LEU A 603 2.052 7.571 20.285 1.00 22.11 N ATOM 909 CA LEU A 603 0.682 7.524 19.755 1.00 22.04 C ATOM 910 C LEU A 603 -0.046 8.842 20.032 1.00 21.95 C ATOM 911 O LEU A 603 -0.610 9.442 19.120 1.00 21.22 O ATOM 912 CB LEU A 603 -0.096 6.332 20.334 1.00 23.17 C ATOM 913 CG LEU A 603 -1.533 6.155 19.810 1.00 24.85 C ATOM 914 CD1 LEU A 603 -1.567 5.876 18.323 1.00 27.27 C ATOM 915 CD2 LEU A 603 -2.208 5.039 20.546 1.00 27.98 C ATOM 916 HA LEU A 603 0.740 7.386 18.675 1.00 0.00 H ATOM 917 HB2 LEU A 603 0.460 5.424 20.101 1.00 0.00 H ATOM 918 HB3 LEU A 603 -0.147 6.458 21.415 1.00 0.00 H ATOM 919 HG LEU A 603 -2.062 7.092 19.983 1.00 0.00 H ATOM 920 HD21 LEU A 603 -1.651 4.115 20.392 1.00 0.00 H ATOM 921 HD22 LEU A 603 -2.238 5.273 21.610 1.00 0.00 H ATOM 922 HD23 LEU A 603 -3.224 4.920 20.170 1.00 0.00 H ATOM 923 HD11 LEU A 603 -1.110 6.709 17.788 1.00 0.00 H ATOM 924 HD12 LEU A 603 -1.014 4.961 18.114 1.00 0.00 H ATOM 925 HD13 LEU A 603 -2.601 5.759 18.000 1.00 0.00 H ATOM 926 H LEU A 603 2.342 6.894 21.019 1.00 0.00 H ATOM 927 N ARG A 604 0.002 9.289 21.289 1.00 22.33 N ATOM 928 CA ARG A 604 -0.687 10.512 21.715 1.00 24.19 C ATOM 929 C ARG A 604 -0.294 11.707 20.858 1.00 24.50 C ATOM 930 O ARG A 604 -1.156 12.472 20.415 1.00 25.14 O ATOM 931 CB ARG A 604 -0.405 10.802 23.193 1.00 26.36 C ATOM 932 CG ARG A 604 -1.275 11.901 23.807 1.00 31.11 C ATOM 933 CD ARG A 604 -0.473 13.157 24.084 1.00 37.20 C ATOM 934 NE ARG A 604 -1.016 13.909 25.215 1.00 44.17 N ATOM 935 CZ ARG A 604 -0.481 13.945 26.430 1.00 47.82 C ATOM 936 NH1 ARG A 604 0.643 13.284 26.705 1.00 47.34 N ATOM 937 NH2 ARG A 604 -1.068 14.663 27.373 1.00 55.76 N ATOM 938 HA ARG A 604 -1.757 10.347 21.585 1.00 0.00 H ATOM 939 HB2 ARG A 604 -0.570 9.884 23.757 1.00 0.00 H ATOM 940 HB3 ARG A 604 0.639 11.103 23.287 1.00 0.00 H ATOM 941 HG2 ARG A 604 -2.082 12.142 23.115 1.00 0.00 H ATOM 942 HG3 ARG A 604 -1.697 11.537 24.744 1.00 0.00 H ATOM 943 HD2 ARG A 604 -0.491 13.791 23.197 1.00 0.00 H ATOM 944 HD3 ARG A 604 0.556 12.877 24.308 1.00 0.00 H ATOM 945 HE ARG A 604 -1.886 14.456 25.056 1.00 0.00 H ATOM 946 HH12 ARG A 604 1.048 13.323 27.662 1.00 0.00 H ATOM 947 HH11 ARG A 604 1.115 12.729 25.963 1.00 0.00 H ATOM 948 HH22 ARG A 604 -0.659 14.700 28.329 1.00 0.00 H ATOM 949 HH21 ARG A 604 -1.938 15.191 27.159 1.00 0.00 H ATOM 950 H ARG A 604 0.548 8.751 21.992 1.00 0.00 H ATOM 951 N SER A 605 1.008 11.863 20.630 1.00 25.24 N ATOM 952 CA SER A 605 1.508 13.004 19.871 1.00 26.89 C ATOM 953 C SER A 605 1.055 12.972 18.405 1.00 25.87 C ATOM 954 O SER A 605 0.731 14.021 17.844 1.00 26.39 O ATOM 955 CB SER A 605 3.027 13.192 20.050 1.00 29.98 C ATOM 956 OG SER A 605 3.775 12.382 19.166 1.00 33.07 O ATOM 957 HA SER A 605 1.050 13.900 20.290 1.00 0.00 H ATOM 958 HB2 SER A 605 3.294 12.933 21.074 1.00 0.00 H ATOM 959 HB3 SER A 605 3.276 14.237 19.864 1.00 0.00 H ATOM 960 HG SER A 605 3.544 12.615 18.232 1.00 0.00 H ATOM 961 H SER A 605 1.680 11.160 20.999 1.00 0.00 H ATOM 962 N LYS A 606 0.979 11.780 17.803 1.00 24.36 N ATOM 963 CA LYS A 606 0.436 11.652 16.438 1.00 25.00 C ATOM 964 C LYS A 606 -1.082 11.850 16.397 1.00 23.12 C ATOM 965 O LYS A 606 -1.627 12.425 15.448 1.00 23.07 O ATOM 966 CB LYS A 606 0.824 10.309 15.795 1.00 27.01 C ATOM 967 CG LYS A 606 2.009 10.380 14.840 1.00 32.97 C ATOM 968 CD LYS A 606 1.704 11.228 13.595 1.00 36.76 C ATOM 969 CE LYS A 606 2.964 11.579 12.806 1.00 42.30 C ATOM 970 NZ LYS A 606 2.670 12.524 11.679 1.00 44.81 N ATOM 971 HA LYS A 606 0.888 12.452 15.852 1.00 0.00 H ATOM 972 HB2 LYS A 606 1.072 9.609 16.593 1.00 0.00 H ATOM 973 HB3 LYS A 606 -0.037 9.936 15.241 1.00 0.00 H ATOM 974 HG2 LYS A 606 2.857 10.820 15.365 1.00 0.00 H ATOM 975 HG3 LYS A 606 2.265 9.369 14.522 1.00 0.00 H ATOM 976 HD2 LYS A 606 1.029 10.669 12.947 1.00 0.00 H ATOM 977 HD3 LYS A 606 1.220 12.152 13.911 1.00 0.00 H ATOM 978 HE2 LYS A 606 3.391 10.663 12.397 1.00 0.00 H ATOM 979 HE3 LYS A 606 3.684 12.045 13.479 1.00 0.00 H ATOM 980 HZ1 LYS A 606 1.988 12.084 11.028 1.00 0.00 H ATOM 981 HZ2 LYS A 606 2.268 13.404 12.062 1.00 0.00 H ATOM 982 HZ3 LYS A 606 3.551 12.737 11.168 1.00 0.00 H ATOM 983 H LYS A 606 1.308 10.931 18.305 1.00 0.00 H ATOM 984 N VAL A 607 -1.777 11.371 17.425 1.00 21.49 N ATOM 985 CA VAL A 607 -3.216 11.596 17.511 1.00 21.91 C ATOM 986 C VAL A 607 -3.530 13.111 17.640 1.00 22.36 C ATOM 987 O VAL A 607 -4.415 13.634 16.953 1.00 21.67 O ATOM 988 CB VAL A 607 -3.851 10.775 18.648 1.00 22.46 C ATOM 989 CG1 VAL A 607 -5.250 11.282 18.956 1.00 24.78 C ATOM 990 CG2 VAL A 607 -3.871 9.274 18.277 1.00 23.17 C ATOM 991 HA VAL A 607 -3.668 11.245 16.583 1.00 0.00 H ATOM 992 HB VAL A 607 -3.247 10.895 19.547 1.00 0.00 H ATOM 993 HG11 VAL A 607 -5.197 12.327 19.261 1.00 0.00 H ATOM 994 HG12 VAL A 607 -5.872 11.193 18.065 1.00 0.00 H ATOM 995 HG13 VAL A 607 -5.681 10.688 19.762 1.00 0.00 H ATOM 996 HG21 VAL A 607 -4.454 9.134 17.367 1.00 0.00 H ATOM 997 HG22 VAL A 607 -2.850 8.928 18.113 1.00 0.00 H ATOM 998 HG23 VAL A 607 -4.323 8.706 19.090 1.00 0.00 H ATOM 999 H VAL A 607 -1.292 10.833 18.171 1.00 0.00 H ATOM 1000 N ASP A 608 -2.791 13.799 18.503 1.00 23.44 N ATOM 1001 CA ASP A 608 -2.925 15.250 18.640 1.00 26.00 C ATOM 1002 C ASP A 608 -2.752 15.973 17.308 1.00 26.02 C ATOM 1003 O ASP A 608 -3.480 16.924 17.039 1.00 27.45 O ATOM 1004 CB ASP A 608 -1.932 15.798 19.665 1.00 28.03 C ATOM 1005 CG ASP A 608 -2.337 15.487 21.085 1.00 30.96 C ATOM 1006 OD1 ASP A 608 -3.473 14.993 21.286 1.00 32.58 O ATOM 1007 OD2 ASP A 608 -1.519 15.743 22.004 1.00 35.47 O ATOM 1008 HA ASP A 608 -3.939 15.439 18.992 1.00 0.00 H ATOM 1009 HB2 ASP A 608 -0.954 15.356 19.475 1.00 0.00 H ATOM 1010 HB3 ASP A 608 -1.869 16.880 19.548 1.00 0.00 H ATOM 1011 H ASP A 608 -2.101 13.295 19.095 1.00 0.00 H ATOM 1012 N GLU A 609 -1.796 15.528 16.492 1.00 26.40 N ATOM 1013 CA GLU A 609 -1.584 16.106 15.160 1.00 28.04 C ATOM 1014 C GLU A 609 -2.797 15.859 14.260 1.00 27.25 C ATOM 1015 O GLU A 609 -3.332 16.799 13.662 1.00 28.02 O ATOM 1016 CB GLU A 609 -0.316 15.555 14.500 1.00 30.96 C ATOM 1017 CG GLU A 609 0.985 15.976 15.167 1.00 34.87 C ATOM 1018 CD GLU A 609 2.232 15.695 14.315 1.00 43.22 C ATOM 1019 OE1 GLU A 609 3.123 16.573 14.272 1.00 46.20 O ATOM 1020 OE2 GLU A 609 2.326 14.602 13.696 1.00 44.21 O ATOM 1021 HA GLU A 609 -1.456 17.181 15.291 1.00 0.00 H ATOM 1022 HB2 GLU A 609 -0.370 14.466 14.518 1.00 0.00 H ATOM 1023 HB3 GLU A 609 -0.294 15.900 13.466 1.00 0.00 H ATOM 1024 HG2 GLU A 609 0.939 17.046 15.368 1.00 0.00 H ATOM 1025 HG3 GLU A 609 1.081 15.434 16.108 1.00 0.00 H ATOM 1026 H GLU A 609 -1.183 14.749 16.808 1.00 0.00 H ATOM 1027 N ALA A 610 -3.230 14.598 14.174 1.00 25.53 N ATOM 1028 CA ALA A 610 -4.427 14.225 13.416 1.00 25.29 C ATOM 1029 C ALA A 610 -5.656 15.082 13.776 1.00 24.40 C ATOM 1030 O ALA A 610 -6.351 15.582 12.893 1.00 25.78 O ATOM 1031 CB ALA A 610 -4.726 12.729 13.610 1.00 26.02 C ATOM 1032 HA ALA A 610 -4.217 14.419 12.364 1.00 0.00 H ATOM 1033 HB1 ALA A 610 -3.879 12.142 13.256 1.00 0.00 H ATOM 1034 HB2 ALA A 610 -4.893 12.527 14.668 1.00 0.00 H ATOM 1035 HB3 ALA A 610 -5.617 12.461 13.043 1.00 0.00 H ATOM 1036 H ALA A 610 -2.696 13.852 14.664 1.00 0.00 H ATOM 1037 N VAL A 611 -5.910 15.270 15.070 1.00 23.40 N ATOM 1038 CA VAL A 611 -7.059 16.065 15.519 1.00 23.44 C ATOM 1039 C VAL A 611 -6.955 17.520 15.046 1.00 23.57 C ATOM 1040 O VAL A 611 -7.939 18.091 14.588 1.00 23.76 O ATOM 1041 CB VAL A 611 -7.248 15.993 17.065 1.00 24.12 C ATOM 1042 CG1 VAL A 611 -8.288 17.001 17.545 1.00 26.15 C ATOM 1043 CG2 VAL A 611 -7.655 14.579 17.472 1.00 24.67 C ATOM 1044 HA VAL A 611 -7.945 15.626 15.061 1.00 0.00 H ATOM 1045 HB VAL A 611 -6.298 16.245 17.536 1.00 0.00 H ATOM 1046 HG11 VAL A 611 -7.965 18.008 17.281 1.00 0.00 H ATOM 1047 HG12 VAL A 611 -9.245 16.789 17.068 1.00 0.00 H ATOM 1048 HG13 VAL A 611 -8.395 16.924 18.627 1.00 0.00 H ATOM 1049 HG21 VAL A 611 -8.592 14.317 16.981 1.00 0.00 H ATOM 1050 HG22 VAL A 611 -6.877 13.877 17.171 1.00 0.00 H ATOM 1051 HG23 VAL A 611 -7.785 14.537 18.553 1.00 0.00 H ATOM 1052 H VAL A 611 -5.279 14.844 15.779 1.00 0.00 H ATOM 1053 N ALA A 612 -5.764 18.107 15.157 1.00 23.23 N ATOM 1054 CA ALA A 612 -5.564 19.493 14.737 1.00 24.76 C ATOM 1055 C ALA A 612 -5.738 19.643 13.218 1.00 24.86 C ATOM 1056 O ALA A 612 -6.278 20.646 12.757 1.00 25.42 O ATOM 1057 CB ALA A 612 -4.196 20.019 15.200 1.00 26.95 C ATOM 1058 HA ALA A 612 -6.331 20.102 15.216 1.00 0.00 H ATOM 1059 HB1 ALA A 612 -4.139 19.972 16.287 1.00 0.00 H ATOM 1060 HB2 ALA A 612 -3.406 19.405 14.767 1.00 0.00 H ATOM 1061 HB3 ALA A 612 -4.076 21.052 14.873 1.00 0.00 H ATOM 1062 H ALA A 612 -4.964 17.571 15.549 1.00 0.00 H ATOM 1063 N VAL A 613 -5.321 18.631 12.456 1.00 24.28 N ATOM 1064 CA VAL A 613 -5.460 18.638 10.992 1.00 25.68 C ATOM 1065 C VAL A 613 -6.932 18.486 10.577 1.00 26.14 C ATOM 1066 O VAL A 613 -7.406 19.179 9.669 1.00 26.83 O ATOM 1067 CB VAL A 613 -4.582 17.543 10.322 1.00 27.54 C ATOM 1068 CG1 VAL A 613 -4.935 17.373 8.854 1.00 30.19 C ATOM 1069 CG2 VAL A 613 -3.104 17.891 10.436 1.00 28.74 C ATOM 1070 HA VAL A 613 -5.102 19.605 10.639 1.00 0.00 H ATOM 1071 HB VAL A 613 -4.780 16.608 10.847 1.00 0.00 H ATOM 1072 HG11 VAL A 613 -5.982 17.082 8.765 1.00 0.00 H ATOM 1073 HG12 VAL A 613 -4.773 18.316 8.331 1.00 0.00 H ATOM 1074 HG13 VAL A 613 -4.303 16.600 8.417 1.00 0.00 H ATOM 1075 HG21 VAL A 613 -2.917 18.844 9.941 1.00 0.00 H ATOM 1076 HG22 VAL A 613 -2.830 17.967 11.488 1.00 0.00 H ATOM 1077 HG23 VAL A 613 -2.510 17.110 9.960 1.00 0.00 H ATOM 1078 H VAL A 613 -4.882 17.807 12.914 1.00 0.00 H ATOM 1079 N LEU A 614 -7.645 17.580 11.242 1.00 25.45 N ATOM 1080 CA LEU A 614 -9.091 17.416 11.038 1.00 26.74 C ATOM 1081 C LEU A 614 -9.873 18.682 11.344 1.00 26.78 C ATOM 1082 O LEU A 614 -10.780 19.049 10.598 1.00 28.27 O ATOM 1083 CB LEU A 614 -9.633 16.284 11.913 1.00 27.27 C ATOM 1084 CG LEU A 614 -10.130 14.983 11.306 1.00 31.34 C ATOM 1085 CD1 LEU A 614 -10.734 14.139 12.431 1.00 31.89 C ATOM 1086 CD2 LEU A 614 -11.149 15.207 10.185 1.00 31.57 C ATOM 1087 HA LEU A 614 -9.224 17.179 9.982 1.00 0.00 H ATOM 1088 HB2 LEU A 614 -8.832 16.016 12.602 1.00 0.00 H ATOM 1089 HB3 LEU A 614 -10.469 16.701 12.474 1.00 0.00 H ATOM 1090 HG LEU A 614 -9.289 14.465 10.844 1.00 0.00 H ATOM 1091 HD21 LEU A 614 -12.011 15.743 10.581 1.00 0.00 H ATOM 1092 HD22 LEU A 614 -10.689 15.794 9.390 1.00 0.00 H ATOM 1093 HD23 LEU A 614 -11.469 14.243 9.789 1.00 0.00 H ATOM 1094 HD11 LEU A 614 -9.971 13.938 13.183 1.00 0.00 H ATOM 1095 HD12 LEU A 614 -11.561 14.683 12.888 1.00 0.00 H ATOM 1096 HD13 LEU A 614 -11.099 13.197 12.021 1.00 0.00 H ATOM 1097 H LEU A 614 -7.162 16.967 11.930 1.00 0.00 H ATOM 1098 N GLN A 615 -9.520 19.355 12.439 1.00 26.46 N ATOM 1099 CA GLN A 615 -10.210 20.589 12.809 1.00 27.72 C ATOM 1100 C GLN A 615 -9.922 21.711 11.826 1.00 28.04 C ATOM 1101 O GLN A 615 -10.822 22.490 11.508 1.00 28.94 O ATOM 1102 CB GLN A 615 -9.900 21.002 14.246 1.00 29.32 C ATOM 1103 CG GLN A 615 -10.748 20.223 15.242 1.00 33.49 C ATOM 1104 CD GLN A 615 -10.284 20.316 16.690 1.00 38.75 C ATOM 1105 OE1 GLN A 615 -9.326 21.025 17.023 1.00 42.10 O ATOM 1106 NE2 GLN A 615 -10.967 19.582 17.563 1.00 40.98 N ATOM 1107 HA GLN A 615 -11.280 20.385 12.758 1.00 0.00 H ATOM 1108 HB2 GLN A 615 -8.847 20.811 14.451 1.00 0.00 H ATOM 1109 HB3 GLN A 615 -10.104 22.066 14.362 1.00 0.00 H ATOM 1110 HG2 GLN A 615 -11.768 20.602 15.188 1.00 0.00 H ATOM 1111 HG3 GLN A 615 -10.736 19.173 14.949 1.00 0.00 H ATOM 1112 HE22 GLN A 615 -11.766 19.000 17.240 1.00 0.00 H ATOM 1113 HE21 GLN A 615 -10.702 19.590 18.569 1.00 0.00 H ATOM 1114 H GLN A 615 -8.746 18.999 13.036 1.00 0.00 H ATOM 1115 N ALA A 616 -8.677 21.781 11.348 1.00 27.32 N ATOM 1116 CA ALA A 616 -8.290 22.781 10.344 1.00 29.33 C ATOM 1117 C ALA A 616 -9.007 22.532 9.028 1.00 29.63 C ATOM 1118 O ALA A 616 -9.404 23.474 8.340 1.00 31.39 O ATOM 1119 CB ALA A 616 -6.797 22.775 10.129 1.00 30.83 C ATOM 1120 HA ALA A 616 -8.584 23.761 10.720 1.00 0.00 H ATOM 1121 HB1 ALA A 616 -6.295 23.007 11.068 1.00 0.00 H ATOM 1122 HB2 ALA A 616 -6.485 21.790 9.783 1.00 0.00 H ATOM 1123 HB3 ALA A 616 -6.536 23.524 9.381 1.00 0.00 H ATOM 1124 H ALA A 616 -7.963 21.110 11.696 1.00 0.00 H ATOM 1125 N HIS A 617 -9.171 21.260 8.679 1.00 29.73 N ATOM 1126 CA HIS A 617 -9.901 20.896 7.465 1.00 32.12 C ATOM 1127 C HIS A 617 -11.388 21.263 7.556 1.00 32.67 C ATOM 1128 O HIS A 617 -11.970 21.700 6.560 1.00 35.08 O ATOM 1129 CB HIS A 617 -9.711 19.411 7.151 1.00 33.42 C ATOM 1130 CG HIS A 617 -10.352 18.969 5.872 1.00 38.05 C ATOM 1131 ND1 HIS A 617 -11.406 18.081 5.836 1.00 42.15 N ATOM 1132 CD2 HIS A 617 -10.066 19.264 4.582 1.00 41.68 C ATOM 1133 CE1 HIS A 617 -11.753 17.863 4.580 1.00 46.23 C ATOM 1134 NE2 HIS A 617 -10.956 18.569 3.799 1.00 47.22 N ATOM 1135 HA HIS A 617 -9.485 21.477 6.642 1.00 0.00 H ATOM 1136 HB2 HIS A 617 -8.642 19.209 7.086 1.00 0.00 H ATOM 1137 HB3 HIS A 617 -10.140 18.831 7.968 1.00 0.00 H ATOM 1138 HD2 HIS A 617 -9.277 19.929 4.230 1.00 0.00 H ATOM 1139 HE1 HIS A 617 -12.560 17.211 4.245 1.00 0.00 H ATOM 1140 H HIS A 617 -8.773 20.510 9.280 1.00 0.00 H ATOM 1141 N GLN A 618 -11.988 21.078 8.737 1.00 31.96 N ATOM 1142 CA GLN A 618 -13.377 21.504 9.025 1.00 33.81 C ATOM 1143 C GLN A 618 -13.578 22.994 8.702 1.00 34.35 C ATOM 1144 O GLN A 618 -14.545 23.377 8.021 1.00 35.56 O ATOM 1145 CB GLN A 618 -13.761 21.238 10.499 1.00 33.79 C ATOM 1146 CG GLN A 618 -13.936 19.746 10.932 1.00 35.70 C ATOM 1147 CD GLN A 618 -14.304 19.579 12.431 1.00 37.38 C ATOM 1148 OE1 GLN A 618 -14.829 20.502 13.055 1.00 41.72 O ATOM 1149 NE2 GLN A 618 -14.056 18.393 12.991 1.00 35.94 N ATOM 1150 HA GLN A 618 -14.029 20.910 8.385 1.00 0.00 H ATOM 1151 HB2 GLN A 618 -12.982 21.672 11.125 1.00 0.00 H ATOM 1152 HB3 GLN A 618 -14.705 21.748 10.690 1.00 0.00 H ATOM 1153 HG2 GLN A 618 -14.728 19.302 10.330 1.00 0.00 H ATOM 1154 HG3 GLN A 618 -13.000 19.219 10.745 1.00 0.00 H ATOM 1155 HE22 GLN A 618 -13.611 17.637 12.432 1.00 0.00 H ATOM 1156 HE21 GLN A 618 -14.308 18.225 13.986 1.00 0.00 H ATOM 1157 H GLN A 618 -11.450 20.610 9.494 1.00 0.00 H ATOM 1158 N ALA A 619 -12.663 23.827 9.194 1.00 33.65 N ATOM 1159 CA ALA A 619 -12.658 25.267 8.890 1.00 36.11 C ATOM 1160 C ALA A 619 -12.437 25.581 7.404 1.00 37.18 C ATOM 1161 O ALA A 619 -12.941 26.585 6.897 1.00 39.36 O ATOM 1162 CB ALA A 619 -11.618 25.996 9.754 1.00 36.67 C ATOM 1163 HA ALA A 619 -13.656 25.632 9.133 1.00 0.00 H ATOM 1164 HB1 ALA A 619 -11.861 25.857 10.807 1.00 0.00 H ATOM 1165 HB2 ALA A 619 -10.628 25.587 9.551 1.00 0.00 H ATOM 1166 HB3 ALA A 619 -11.630 27.059 9.515 1.00 0.00 H ATOM 1167 H ALA A 619 -11.923 23.445 9.817 1.00 0.00 H ATOM 1168 N LYS A 620 -11.681 24.728 6.717 1.00 37.52 N ATOM 1169 CA LYS A 620 -11.370 24.918 5.299 1.00 40.46 C ATOM 1170 C LYS A 620 -12.539 24.493 4.398 1.00 42.08 C ATOM 1171 O LYS A 620 -12.757 25.077 3.329 1.00 44.53 O ATOM 1172 CB LYS A 620 -10.065 24.184 4.944 1.00 41.44 C ATOM 1173 CG LYS A 620 -9.632 24.241 3.481 1.00 46.40 C ATOM 1174 CD LYS A 620 -9.817 22.896 2.786 1.00 48.74 C ATOM 1175 CE LYS A 620 -9.612 23.021 1.284 1.00 55.18 C ATOM 1176 NZ LYS A 620 -9.449 21.696 0.625 1.00 60.18 N ATOM 1177 HA LYS A 620 -11.219 25.982 5.117 1.00 0.00 H ATOM 1178 HB2 LYS A 620 -9.266 24.619 5.544 1.00 0.00 H ATOM 1179 HB3 LYS A 620 -10.190 23.135 5.213 1.00 0.00 H ATOM 1180 HG2 LYS A 620 -10.230 24.991 2.964 1.00 0.00 H ATOM 1181 HG3 LYS A 620 -8.580 24.522 3.434 1.00 0.00 H ATOM 1182 HD2 LYS A 620 -9.093 22.186 3.186 1.00 0.00 H ATOM 1183 HD3 LYS A 620 -10.826 22.532 2.978 1.00 0.00 H ATOM 1184 HE2 LYS A 620 -8.718 23.617 1.100 1.00 0.00 H ATOM 1185 HE3 LYS A 620 -10.477 23.524 0.852 1.00 0.00 H ATOM 1186 HZ1 LYS A 620 -8.621 21.211 1.025 1.00 0.00 H ATOM 1187 HZ2 LYS A 620 -10.301 21.122 0.788 1.00 0.00 H ATOM 1188 HZ3 LYS A 620 -9.312 21.833 -0.397 1.00 0.00 H ATOM 1189 H LYS A 620 -11.296 23.895 7.206 1.00 0.00 H ATOM 1190 N GLU A 621 -13.289 23.482 4.832 1.00 41.81 N ATOM 1191 CA GLU A 621 -14.489 23.041 4.106 1.00 44.77 C ATOM 1192 C GLU A 621 -15.662 23.999 4.337 1.00 45.15 C ATOM 1193 O GLU A 621 -16.511 24.171 3.455 1.00 48.02 O ATOM 1194 CB GLU A 621 -14.868 21.607 4.501 1.00 45.67 C ATOM 1195 CG GLU A 621 -15.859 20.920 3.548 1.00 51.95 C ATOM 1196 CD GLU A 621 -15.282 20.633 2.166 1.00 56.61 C ATOM 1197 OE1 GLU A 621 -14.061 20.832 1.964 1.00 56.58 O ATOM 1198 OE2 GLU A 621 -16.054 20.197 1.282 1.00 61.27 O ATOM 1199 HA GLU A 621 -14.257 23.052 3.041 1.00 0.00 H ATOM 1200 HB2 GLU A 621 -13.956 21.010 4.531 1.00 0.00 H ATOM 1201 HB3 GLU A 621 -15.316 21.635 5.495 1.00 0.00 H ATOM 1202 HG2 GLU A 621 -16.168 19.975 3.995 1.00 0.00 H ATOM 1203 HG3 GLU A 621 -16.729 21.567 3.431 1.00 0.00 H ATOM 1204 H GLU A 621 -13.019 22.991 5.708 1.00 0.00 H ATOM 1205 N ALA A 622 -15.701 24.620 5.518 1.00 43.40 N ATOM 1206 CA ALA A 622 -16.694 25.655 5.842 1.00 44.53 C ATOM 1207 C ALA A 622 -16.635 26.812 4.849 1.00 45.66 C ATOM 1208 O ALA A 622 -17.559 27.010 4.053 1.00 47.34 O ATOM 1209 CB ALA A 622 -16.483 26.173 7.259 1.00 43.93 C ATOM 1210 HA ALA A 622 -17.681 25.198 5.774 1.00 0.00 H ATOM 1211 HB1 ALA A 622 -16.587 25.349 7.965 1.00 0.00 H ATOM 1212 HB2 ALA A 622 -15.484 26.601 7.343 1.00 0.00 H ATOM 1213 HB3 ALA A 622 -17.228 26.938 7.479 1.00 0.00 H ATOM 1214 H ALA A 622 -14.999 24.361 6.240 1.00 0.00 H TER 1215 ALA A 622 HETATM 1216 O HOH 1 6.388 8.341 16.154 1.00 35.27 O HETATM 1217 O HOH 2 5.277 -6.881 7.298 1.00 46.61 O HETATM 1218 O HOH 3 0.642 -3.007 4.598 1.00 37.21 O HETATM 1219 O HOH 4 6.362 -12.537 17.701 1.00 38.68 O HETATM 1220 O HOH 5 -15.543 6.468 15.690 1.00 25.87 O HETATM 1221 O HOH 6 2.480 1.608 4.477 1.00 47.47 O HETATM 1222 O HOH 7 0.468 3.053 22.682 1.00 21.96 O HETATM 1223 O HOH 8 -11.742 2.730 24.248 1.00 26.60 O HETATM 1224 O HOH 9 7.395 6.416 8.529 1.00 44.47 O HETATM 1225 O HOH 10 -4.413 -7.319 15.193 1.00 32.85 O HETATM 1226 O HOH 11 7.055 -0.545 7.343 1.00 37.16 O HETATM 1227 O HOH 12 -4.767 18.518 18.763 1.00 32.11 O HETATM 1228 O HOH 13 -6.558 22.922 14.054 1.00 29.46 O HETATM 1229 O HOH 14 5.505 6.381 25.947 1.00 35.43 O HETATM 1230 O HOH 15 3.504 0.860 26.986 1.00 56.70 O HETATM 1231 O HOH 16 -6.642 4.741 5.935 1.00 33.68 O HETATM 1232 O HOH 17 -2.180 -4.154 3.983 1.00 37.83 O HETATM 1233 O HOH 18 -4.676 -2.120 21.478 1.00 40.06 O HETATM 1234 O HOH 19 1.641 0.011 25.113 1.00 50.73 O HETATM 1235 O HOH 20 4.333 13.428 16.292 1.00 39.98 O HETATM 1236 O HOH 21 -1.205 -9.917 20.809 1.00 50.32 O HETATM 1237 O HOH 22 2.141 11.582 9.141 1.00 44.73 O HETATM 1238 O HOH 23 -7.457 -5.747 1.430 1.00 52.69 O HETATM 1239 O HOH 24 -1.047 10.716 5.453 1.00 50.04 O HETATM 1240 O HOH 25 6.106 -6.719 9.660 1.00 31.28 O HETATM 1241 O HOH 26 -4.122 2.596 4.580 1.00 38.75 O HETATM 1242 O HOH 27 -12.155 4.119 26.742 1.00 23.38 O HETATM 1243 O HOH 28 -6.460 -4.599 22.321 1.00 38.31 O HETATM 1244 O HOH 29 -9.798 18.672 0.464 1.00 49.24 O HETATM 1245 O HOH 30 -10.831 -1.875 5.742 1.00 28.14 O HETATM 1246 O HOH 31 5.039 7.237 6.648 1.00 25.57 O HETATM 1247 O HOH 32 -2.056 17.174 29.071 1.00 49.89 O HETATM 1248 O HOH 33 -15.376 5.712 18.239 1.00 27.93 O HETATM 1249 O HOH 34 -13.423 16.179 7.728 1.00 46.01 O HETATM 1250 O HOH 35 -1.067 -4.820 20.985 1.00 19.26 O HETATM 1251 O HOH 36 -4.605 15.734 2.042 1.00 43.06 O HETATM 1252 O HOH 37 -9.707 3.184 7.704 1.00 32.48 O HETATM 1253 O HOH 38 -12.549 -1.140 8.938 1.00 42.74 O HETATM 1254 O HOH 39 -15.829 2.020 6.666 1.00 47.47 O HETATM 1255 O HOH 40 -11.042 0.998 6.596 1.00 46.19 O HETATM 1256 O HOH 41 -13.696 9.931 2.913 1.00 49.31 O HETATM 1257 O HOH 42 -15.541 6.898 5.218 1.00 35.88 O HETATM 1258 N LEU A 43 -0.684 14.174 7.118 1.00 0.24 N HETATM 1259 CA LEU A 43 -1.970 13.544 7.545 1.00 0.07 C HETATM 1260 C LEU A 43 -3.129 13.979 6.660 1.00 0.23 C HETATM 1261 O LEU A 43 -3.331 15.171 6.436 1.00 -0.39 O HETATM 1262 N LEU A 43 -3.910 13.011 6.193 1.00 -0.26 N HETATM 1263 CA LEU A 43 -4.989 13.276 5.248 1.00 0.15 C HETATM 1264 C LEU A 43 -6.377 13.246 5.889 1.00 0.21 C HETATM 1265 O LEU A 43 -6.887 12.160 6.189 1.00 -0.39 O HETATM 1266 N LEU A 43 -7.003 14.433 6.088 1.00 -0.25 N HETATM 1267 CA LEU A 43 -8.320 14.493 6.715 1.00 0.13 C HETATM 1268 C LEU A 43 -9.426 13.851 5.879 1.00 0.20 C HETATM 1269 O LEU A 43 -10.540 13.679 6.375 1.00 -0.39 O HETATM 1270 N LEU A 43 -9.123 13.491 4.633 1.00 -0.26 N HETATM 1271 CA LEU A 43 -10.086 12.787 3.791 1.00 0.15 C HETATM 1272 C LEU A 43 -10.036 11.259 3.907 1.00 0.21 C HETATM 1273 O LEU A 43 -10.754 10.563 3.192 1.00 -0.39 O HETATM 1274 N LEU A 43 -9.194 10.738 4.794 1.00 -0.26 N HETATM 1275 CA LEU A 43 -9.048 9.292 4.957 1.00 0.13 C HETATM 1276 C LEU A 43 -10.372 8.576 5.245 1.00 0.20 C HETATM 1277 O LEU A 43 -11.263 9.134 5.887 1.00 -0.39 O HETATM 1278 N LEU A 43 -10.481 7.335 4.774 1.00 -0.26 N HETATM 1279 CA LEU A 43 -11.634 6.477 5.059 1.00 0.13 C HETATM 1280 C LEU A 43 -11.772 6.155 6.556 1.00 0.20 C HETATM 1281 O LEU A 43 -10.796 5.796 7.212 1.00 -0.39 O HETATM 1282 N LEU A 43 -12.993 6.260 7.074 1.00 -0.26 N HETATM 1283 CA LEU A 43 -13.292 5.960 8.488 1.00 0.13 C HETATM 1284 C LEU A 43 -13.176 4.469 8.832 1.00 0.20 C HETATM 1285 O LEU A 43 -13.772 3.606 8.159 1.00 -0.39 O HETATM 1286 N LEU A 43 -12.412 4.180 9.885 1.00 -0.26 N HETATM 1287 CA LEU A 43 -12.257 2.824 10.422 1.00 0.14 C HETATM 1288 C LEU A 43 -13.523 2.333 11.142 1.00 0.21 C HETATM 1289 O LEU A 43 -14.137 3.071 11.932 1.00 -0.39 O HETATM 1290 N LEU A 43 -13.901 1.085 10.872 1.00 -0.26 N HETATM 1291 CA LEU A 43 -14.977 0.421 11.619 1.00 0.13 C HETATM 1292 C LEU A 43 -14.410 -0.809 12.301 1.00 0.20 C HETATM 1293 O LEU A 43 -13.834 -1.652 11.642 1.00 -0.39 O HETATM 1294 N LEU A 43 -14.566 -0.910 13.616 1.00 -0.26 N HETATM 1295 CA LEU A 43 -13.879 -1.949 14.392 1.00 0.13 C HETATM 1296 C LEU A 43 -14.665 -3.259 14.459 1.00 0.20 C HETATM 1297 O LEU A 43 -15.896 -3.253 14.433 1.00 -0.39 O HETATM 1298 N LEU A 43 -13.947 -4.378 14.554 1.00 -0.27 N HETATM 1299 CA LEU A 43 -14.574 -5.674 14.806 1.00 0.10 C HETATM 1300 C LEU A 43 -14.201 -6.233 16.182 1.00 0.06 C HETATM 1301 O LEU A 43 -13.048 -6.153 16.613 1.00 -0.57 O HETATM 1302 O LEU A 43 -15.088 -6.785 16.887 1.00 -0.57 O HETATM 1303 CB LEU A 43 -14.263 -6.700 13.685 1.00 -0.01 C HETATM 1304 CG1 LEU A 43 -15.334 -6.640 12.591 1.00 -0.05 C HETATM 1305 CD1 LEU A 43 -15.228 -5.442 11.663 1.00 -0.06 C HETATM 1306 H LEU A 43 -15.319 -4.524 12.244 1.00 0.02 H HETATM 1307 H LEU A 43 -14.262 -5.459 11.158 1.00 0.02 H HETATM 1308 H LEU A 43 -16.027 -5.486 10.923 1.00 0.02 H HETATM 1309 H LEU A 43 -16.298 -6.567 13.095 1.00 0.03 H HETATM 1310 H LEU A 43 -15.208 -7.530 11.975 1.00 0.03 H HETATM 1311 CG2 LEU A 43 -14.241 -8.117 14.238 1.00 -0.06 C HETATM 1312 H LEU A 43 -13.473 -8.194 15.007 1.00 0.02 H HETATM 1313 H LEU A 43 -15.214 -8.352 14.670 1.00 0.02 H HETATM 1314 H LEU A 43 -14.021 -8.817 13.432 1.00 0.02 H HETATM 1315 H LEU A 43 -13.286 -6.445 13.274 1.00 0.03 H HETATM 1316 H LEU A 43 -15.650 -5.502 14.802 1.00 0.07 H HETATM 1317 H LEU A 43 -12.934 -4.329 14.448 1.00 0.19 H HETATM 1318 CB LEU A 43 -13.569 -1.448 15.815 1.00 -0.00 C HETATM 1319 CG LEU A 43 -12.889 -2.484 16.747 1.00 0.00 C HETATM 1320 CD LEU A 43 -11.369 -2.425 16.731 1.00 0.04 C HETATM 1321 OE1 LEU A 43 -10.809 -1.800 15.821 1.00 -0.57 O HETATM 1322 OE2 LEU A 43 -10.726 -3.000 17.644 1.00 -0.57 O HETATM 1323 H LEU A 43 -13.178 -3.474 16.396 1.00 0.04 H HETATM 1324 H LEU A 43 -13.211 -2.264 17.765 1.00 0.04 H HETATM 1325 H LEU A 43 -14.525 -1.196 16.273 1.00 0.03 H HETATM 1326 H LEU A 43 -12.871 -0.617 15.709 1.00 0.03 H HETATM 1327 H LEU A 43 -12.947 -2.160 13.868 1.00 0.08 H HETATM 1328 H LEU A 43 -15.177 -0.251 14.098 1.00 0.19 H HETATM 1329 CB LEU A 43 -16.122 0.025 10.687 1.00 0.00 C HETATM 1330 CG LEU A 43 -16.790 1.203 9.999 1.00 0.04 C HETATM 1331 CD LEU A 43 -18.001 0.799 9.197 1.00 0.17 C HETATM 1332 OE1 LEU A 43 -18.866 0.061 9.673 1.00 -0.40 O HETATM 1333 NE2 LEU A 43 -18.080 1.291 7.968 1.00 -0.30 N HETATM 1334 H LEU A 43 -18.879 1.062 7.377 1.00 0.18 H HETATM 1335 H LEU A 43 -17.341 1.898 7.613 1.00 0.18 H HETATM 1336 H LEU A 43 -16.067 1.644 9.313 1.00 0.05 H HETATM 1337 H LEU A 43 -17.117 1.899 10.771 1.00 0.05 H HETATM 1338 H LEU A 43 -16.880 -0.468 11.296 1.00 0.03 H HETATM 1339 H LEU A 43 -15.701 -0.610 9.907 1.00 0.03 H HETATM 1340 H LEU A 43 -15.375 1.110 12.364 1.00 0.08 H HETATM 1341 H LEU A 43 -13.430 0.576 10.125 1.00 0.19 H HETATM 1342 CB LEU A 43 -11.077 2.775 11.409 1.00 0.00 C HETATM 1343 CG LEU A 43 -10.902 1.424 12.047 1.00 -0.04 C HETATM 1344 CD1 LEU A 43 -11.297 1.040 13.303 1.00 0.02 C HETATM 1345 NE1 LEU A 43 -10.974 -0.287 13.518 1.00 -0.29 N HETATM 1346 CE2 LEU A 43 -10.368 -0.775 12.390 1.00 0.06 C HETATM 1347 CD2 LEU A 43 -10.299 0.278 11.450 1.00 -0.02 C HETATM 1348 CE3 LEU A 43 -9.726 0.029 10.197 1.00 -0.07 C HETATM 1349 CZ3 LEU A 43 -9.223 -1.220 9.940 1.00 -0.08 C HETATM 1350 CH2 LEU A 43 -9.295 -2.245 10.897 1.00 -0.08 C HETATM 1351 CZ2 LEU A 43 -9.858 -2.041 12.125 1.00 -0.04 C HETATM 1352 H LEU A 43 -9.905 -2.838 12.867 1.00 0.05 H HETATM 1353 H LEU A 43 -8.892 -3.228 10.654 1.00 0.05 H HETATM 1354 H LEU A 43 -8.758 -1.421 8.975 1.00 0.05 H HETATM 1355 H LEU A 43 -9.681 0.813 9.441 1.00 0.05 H HETATM 1356 H LEU A 43 -11.156 -0.814 14.372 1.00 0.22 H HETATM 1357 H LEU A 43 -11.793 1.687 14.026 1.00 0.08 H HETATM 1358 H LEU A 43 -11.277 3.494 12.203 1.00 0.04 H HETATM 1359 H LEU A 43 -10.168 3.000 10.852 1.00 0.04 H HETATM 1360 H LEU A 43 -12.071 2.168 9.571 1.00 0.08 H HETATM 1361 H LEU A 43 -11.909 4.941 10.341 1.00 0.19 H HETATM 1362 CB LEU A 43 -14.714 6.456 8.868 1.00 -0.01 C HETATM 1363 CG1 LEU A 43 -15.078 6.067 10.308 1.00 -0.06 C HETATM 1364 H LEU A 43 -15.052 4.982 10.408 1.00 0.02 H HETATM 1365 H LEU A 43 -14.360 6.514 10.996 1.00 0.02 H HETATM 1366 H LEU A 43 -16.079 6.430 10.539 1.00 0.02 H HETATM 1367 CG2 LEU A 43 -14.814 7.975 8.675 1.00 -0.06 C HETATM 1368 H LEU A 43 -14.081 8.470 9.312 1.00 0.02 H HETATM 1369 H LEU A 43 -14.616 8.221 7.632 1.00 0.02 H HETATM 1370 H LEU A 43 -15.816 8.309 8.945 1.00 0.02 H HETATM 1371 H LEU A 43 -15.430 5.969 8.206 1.00 0.03 H HETATM 1372 H LEU A 43 -12.537 6.492 9.067 1.00 0.08 H HETATM 1373 H LEU A 43 -13.756 6.561 6.468 1.00 0.19 H HETATM 1374 CB LEU A 43 -11.514 5.179 4.258 1.00 -0.01 C HETATM 1375 CG LEU A 43 -12.839 4.577 3.820 1.00 -0.04 C HETATM 1376 CD LEU A 43 -13.323 3.548 4.820 1.00 -0.01 C HETATM 1377 CE LEU A 43 -13.059 2.140 4.317 1.00 -0.04 C HETATM 1378 NZ LEU A 43 -14.191 1.696 3.467 1.00 0.22 N HETATM 1379 H LEU A 43 -14.011 0.750 3.130 1.00 0.20 H HETATM 1380 H LEU A 43 -15.051 1.705 4.016 1.00 0.20 H HETATM 1381 H LEU A 43 -14.287 2.329 2.672 1.00 0.20 H HETATM 1382 H LEU A 43 -12.957 1.465 5.167 1.00 0.08 H HETATM 1383 H LEU A 43 -12.140 2.131 3.731 1.00 0.08 H HETATM 1384 H LEU A 43 -14.396 3.675 4.962 1.00 0.03 H HETATM 1385 H LEU A 43 -12.788 3.692 5.759 1.00 0.03 H HETATM 1386 H LEU A 43 -12.700 4.089 2.855 1.00 0.03 H HETATM 1387 H LEU A 43 -13.580 5.374 3.751 1.00 0.03 H HETATM 1388 H LEU A 43 -11.034 4.448 4.909 1.00 0.03 H HETATM 1389 H LEU A 43 -10.959 5.417 3.351 1.00 0.03 H HETATM 1390 H LEU A 43 -12.530 7.023 4.764 1.00 0.08 H HETATM 1391 H LEU A 43 -9.730 6.966 4.190 1.00 0.19 H HETATM 1392 CB LEU A 43 -8.032 8.982 6.057 1.00 -0.02 C HETATM 1393 H LEU A 43 -7.066 9.410 5.789 1.00 0.03 H HETATM 1394 H LEU A 43 -8.374 9.414 6.998 1.00 0.03 H HETATM 1395 H LEU A 43 -7.935 7.902 6.166 1.00 0.03 H HETATM 1396 H LEU A 43 -8.689 8.909 4.002 1.00 0.08 H HETATM 1397 H LEU A 43 -8.636 11.363 5.376 1.00 0.19 H HETATM 1398 CB LEU A 43 -9.936 13.219 2.325 1.00 0.08 C HETATM 1399 CG LEU A 43 -10.168 14.703 2.130 1.00 0.18 C HETATM 1400 OD1 LEU A 43 -11.277 15.204 2.330 1.00 -0.40 O HETATM 1401 ND2 LEU A 43 -9.119 15.419 1.735 1.00 -0.30 N HETATM 1402 H LEU A 43 -9.214 16.424 1.586 1.00 0.18 H HETATM 1403 H LEU A 43 -8.219 14.963 1.581 1.00 0.18 H HETATM 1404 H LEU A 43 -10.682 12.682 1.739 1.00 0.06 H HETATM 1405 H LEU A 43 -8.917 12.994 2.011 1.00 0.06 H HETATM 1406 H LEU A 43 -11.067 13.077 4.167 1.00 0.08 H HETATM 1407 H LEU A 43 -8.200 13.711 4.260 1.00 0.19 H HETATM 1408 CB LEU A 43 -8.569 16.001 6.885 1.00 -0.01 C HETATM 1409 CG LEU A 43 -7.706 16.648 5.856 1.00 -0.03 C HETATM 1410 CD LEU A 43 -6.498 15.776 5.747 1.00 0.04 C HETATM 1411 H LEU A 43 -6.048 15.811 4.755 1.00 0.05 H HETATM 1412 H LEU A 43 -5.693 16.097 6.408 1.00 0.05 H HETATM 1413 H LEU A 43 -7.440 17.667 6.139 1.00 0.03 H HETATM 1414 H LEU A 43 -8.222 16.739 4.900 1.00 0.03 H HETATM 1415 H LEU A 43 -8.325 16.342 7.891 1.00 0.03 H HETATM 1416 H LEU A 43 -9.620 16.256 6.752 1.00 0.03 H HETATM 1417 H LEU A 43 -8.338 13.933 7.650 1.00 0.08 H HETATM 1418 CB LEU A 43 -4.906 12.287 4.079 1.00 0.08 C HETATM 1419 CG LEU A 43 -6.172 12.248 3.241 1.00 0.18 C HETATM 1420 OD1 LEU A 43 -6.763 13.283 2.925 1.00 -0.40 O HETATM 1421 ND2 LEU A 43 -6.587 11.042 2.863 1.00 -0.30 N HETATM 1422 H LEU A 43 -7.425 10.948 2.289 1.00 0.18 H HETATM 1423 H LEU A 43 -6.067 10.212 3.147 1.00 0.18 H HETATM 1424 H LEU A 43 -4.755 11.292 4.497 1.00 0.06 H HETATM 1425 H LEU A 43 -4.090 12.607 3.431 1.00 0.06 H HETATM 1426 H LEU A 43 -4.852 14.293 4.882 1.00 0.08 H HETATM 1427 H LEU A 43 -3.750 12.053 6.505 1.00 0.19 H HETATM 1428 CB LEU A 43 -2.287 13.900 9.002 1.00 0.01 C HETATM 1429 CG LEU A 43 -1.538 13.222 10.152 1.00 -0.04 C HETATM 1430 CD1 LEU A 43 -1.468 11.702 9.947 1.00 -0.06 C HETATM 1431 H LEU A 43 -0.860 11.483 9.070 1.00 0.02 H HETATM 1432 H LEU A 43 -1.021 11.238 10.826 1.00 0.02 H HETATM 1433 H LEU A 43 -2.474 11.310 9.800 1.00 0.02 H HETATM 1434 CD2 LEU A 43 -0.150 13.838 10.365 1.00 -0.06 C HETATM 1435 H LEU A 43 0.311 13.396 11.248 1.00 0.02 H HETATM 1436 H LEU A 43 0.472 13.640 9.492 1.00 0.02 H HETATM 1437 H LEU A 43 -0.249 14.914 10.506 1.00 0.02 H HETATM 1438 H LEU A 43 -2.104 13.400 11.066 1.00 0.03 H HETATM 1439 H LEU A 43 -3.322 13.585 9.135 1.00 0.03 H HETATM 1440 H LEU A 43 -2.011 14.951 9.086 1.00 0.03 H HETATM 1441 H LEU A 43 -1.846 12.465 7.450 1.00 0.11 H HETATM 1442 H LEU A 43 -0.491 13.926 6.148 1.00 0.20 H HETATM 1443 H LEU A 43 -0.759 15.188 7.202 1.00 0.20 H HETATM 1444 H LEU A 43 0.072 13.837 7.713 1.00 0.20 H CONECT 1258 1259 1442 1443 1444 CONECT 1259 1258 1260 1428 1441 CONECT 1260 1259 1261 1262 CONECT 1261 1260 CONECT 1262 1260 1263 1427 CONECT 1263 1262 1264 1418 1426 CONECT 1264 1263 1265 1266 CONECT 1265 1264 CONECT 1266 1264 1267 1410 CONECT 1267 1266 1268 1408 1417 CONECT 1268 1267 1269 1270 CONECT 1269 1268 CONECT 1270 1268 1271 1407 CONECT 1271 1270 1272 1398 1406 CONECT 1272 1271 1273 1274 CONECT 1273 1272 CONECT 1274 1272 1275 1397 CONECT 1275 1274 1276 1392 1396 CONECT 1276 1275 1277 1278 CONECT 1277 1276 CONECT 1278 1276 1279 1391 CONECT 1279 1278 1280 1374 1390 CONECT 1280 1279 1281 1282 CONECT 1281 1280 CONECT 1282 1280 1283 1373 CONECT 1283 1282 1284 1362 1372 CONECT 1284 1283 1285 1286 CONECT 1285 1284 CONECT 1286 1284 1287 1361 CONECT 1287 1286 1288 1342 1360 CONECT 1288 1287 1289 1290 CONECT 1289 1288 CONECT 1290 1288 1291 1341 CONECT 1291 1290 1292 1329 1340 CONECT 1292 1291 1293 1294 CONECT 1293 1292 CONECT 1294 1292 1295 1328 CONECT 1295 1294 1296 1318 1327 CONECT 1296 1295 1297 1298 CONECT 1297 1296 CONECT 1298 1296 1299 1317 CONECT 1299 1298 1300 1303 1316 CONECT 1300 1299 1301 1302 CONECT 1301 1300 CONECT 1302 1300 CONECT 1303 1299 1304 1311 1315 CONECT 1304 1303 1305 1309 1310 CONECT 1305 1304 1306 1307 1308 CONECT 1306 1305 CONECT 1307 1305 CONECT 1308 1305 CONECT 1309 1304 CONECT 1310 1304 CONECT 1311 1303 1312 1313 1314 CONECT 1312 1311 CONECT 1313 1311 CONECT 1314 1311 CONECT 1315 1303 CONECT 1316 1299 CONECT 1317 1298 CONECT 1318 1295 1319 1325 1326 CONECT 1319 1318 1320 1323 1324 CONECT 1320 1319 1321 1322 CONECT 1321 1320 CONECT 1322 1320 CONECT 1323 1319 CONECT 1324 1319 CONECT 1325 1318 CONECT 1326 1318 CONECT 1327 1295 CONECT 1328 1294 CONECT 1329 1291 1330 1338 1339 CONECT 1330 1329 1331 1336 1337 CONECT 1331 1330 1332 1333 CONECT 1332 1331 CONECT 1333 1331 1334 1335 CONECT 1334 1333 CONECT 1335 1333 CONECT 1336 1330 CONECT 1337 1330 CONECT 1338 1329 CONECT 1339 1329 CONECT 1340 1291 CONECT 1341 1290 CONECT 1342 1287 1343 1358 1359 CONECT 1343 1342 1344 1347 CONECT 1344 1343 1345 1357 CONECT 1345 1344 1346 1356 CONECT 1346 1345 1347 1351 CONECT 1347 1343 1346 1348 CONECT 1348 1347 1349 1355 CONECT 1349 1348 1350 1354 CONECT 1350 1349 1351 1353 CONECT 1351 1346 1350 1352 CONECT 1352 1351 CONECT 1353 1350 CONECT 1354 1349 CONECT 1355 1348 CONECT 1356 1345 CONECT 1357 1344 CONECT 1358 1342 CONECT 1359 1342 CONECT 1360 1287 CONECT 1361 1286 CONECT 1362 1283 1363 1367 1371 CONECT 1363 1362 1364 1365 1366 CONECT 1364 1363 CONECT 1365 1363 CONECT 1366 1363 CONECT 1367 1362 1368 1369 1370 CONECT 1368 1367 CONECT 1369 1367 CONECT 1370 1367 CONECT 1371 1362 CONECT 1372 1283 CONECT 1373 1282 CONECT 1374 1279 1375 1388 1389 CONECT 1375 1374 1376 1386 1387 CONECT 1376 1375 1377 1384 1385 CONECT 1377 1376 1378 1382 1383 CONECT 1378 1377 1379 1380 1381 CONECT 1379 1378 CONECT 1380 1378 CONECT 1381 1378 CONECT 1382 1377 CONECT 1383 1377 CONECT 1384 1376 CONECT 1385 1376 CONECT 1386 1375 CONECT 1387 1375 CONECT 1388 1374 CONECT 1389 1374 CONECT 1390 1279 CONECT 1391 1278 CONECT 1392 1275 1393 1394 1395 CONECT 1393 1392 CONECT 1394 1392 CONECT 1395 1392 CONECT 1396 1275 CONECT 1397 1274 CONECT 1398 1271 1399 1404 1405 CONECT 1399 1398 1400 1401 CONECT 1400 1399 CONECT 1401 1399 1402 1403 CONECT 1402 1401 CONECT 1403 1401 CONECT 1404 1398 CONECT 1405 1398 CONECT 1406 1271 CONECT 1407 1270 CONECT 1408 1267 1409 1415 1416 CONECT 1409 1408 1410 1413 1414 CONECT 1410 1266 1409 1411 1412 CONECT 1411 1410 CONECT 1412 1410 CONECT 1413 1409 CONECT 1414 1409 CONECT 1415 1408 CONECT 1416 1408 CONECT 1417 1267 CONECT 1418 1263 1419 1424 1425 CONECT 1419 1418 1420 1421 CONECT 1420 1419 CONECT 1421 1419 1422 1423 CONECT 1422 1421 CONECT 1423 1421 CONECT 1424 1418 CONECT 1425 1418 CONECT 1426 1263 CONECT 1427 1262 CONECT 1428 1259 1429 1439 1440 CONECT 1429 1428 1430 1434 1438 CONECT 1430 1429 1431 1432 1433 CONECT 1431 1430 CONECT 1432 1430 CONECT 1433 1430 CONECT 1434 1429 1435 1436 1437 CONECT 1435 1434 CONECT 1436 1434 CONECT 1437 1434 CONECT 1438 1429 CONECT 1439 1428 CONECT 1440 1428 CONECT 1441 1259 CONECT 1442 1258 CONECT 1443 1258 CONECT 1444 1258 MASTER 0 0 0 0 0 0 0 0 1443 1 187 7 END
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Entry Information
PDB ID
3pkn
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Polyadenylate-binding protein 1, PABP
Ligand Name
14-mer
EC.Number
E.C.-.-.-.-
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Kd=22uM
Release Year
2011
Protein/NA Sequence
Check fasta file
Primary Reference
(2011) Mol.Cell.Biol. Vol. 31: pp. 542-556
Ligand Properties
Formula
C
6
0
H
9
6
N
1
6
O
1
7
Molecular Weight
1313.500
Exact Mass
1312.710
No. of atoms
189
No. of bonds
191
Polar Surface Area
557.15
LOGP Value
-4.81 (
Computed with XLOGP3
)
0.38 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 15
No. of Hydrogen Bond Acceptors: 17
No. of Rotatable Bonds: 49
No. of Nitrogen and Oxygen Atoms: 33
No. of Rings: 3
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)O)CCC(=O)O)CCC(=O)N)Cc1c[nH]c2c1cccc2)C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(C)C)[NH3+])CC(=O)N)CC(=O)N)C
InChI String
InChI=1S/C60H94N16O17/c1-8-31(6)49(60(92)93)75-54(86)39(19-21-47(80)81)69-52(84)38(18-20-44(63)77)70-56(88)40(25-33-28-66-36-15-10-9-14-34(33)36)72-58(90)48(30(4)5)74-53(85)37(16-11-12-22-61)68-50(82)32(7)67-55(87)41(26-45(64)78)71-57(89)43-17-13-23-76(43)59(91)42(27-46(65)79)73-51(83)35(62)24-29(2)3/h9-10,14-15,28-32,35,37-43,48-49,66H,8,11-13,16-27,61-62H2,1-7H3,(H2,63,77)(H2,64,78)(H2,65,79)(H,67,87)(H,68,82)(H,69,84)(H,70,88)(H,71,89)(H,72,90)(H,73,83)(H,74,85)(H,75,86)(H,80,81)(H,92,93)/p+2/t31-,32-,35-,37-,38-,39-,40-,41-,42-,43-,48-,49-/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):
Q71RC2
P11940
Entrez Gene ID
NCBI Entrez Gene ID:
113251
26986
ASD
Information of known allosteric effects of PDB entries
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