Browse entries in the PDBbind-CN Database
HEADER 5ETB_COMPLEX COMPND 5ETB_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 112 MET GLN LEU THR PRO PHE LEU ILE LEU LEU ARG LYS THR SEQRES 2 A 112 LEU GLU GLN LEU GLN GLU LYS ASP THR GLY ASN ILE PHE SEQRES 3 A 112 SER GLU PRO VAL PRO LEU SER GLU VAL PRO ASP TYR LEU SEQRES 4 A 112 ASP HIS ILE LYS LYS PRO MET ASP PHE PHE THR MET LYS SEQRES 5 A 112 GLN ASN LEU GLU ALA TYR ARG TYR LEU ASN PHE ASP ASP SEQRES 6 A 112 PHE GLU GLU ASP PHE ASN LEU ILE VAL SER ASN CYS LEU SEQRES 7 A 112 LYS TYR ASN ALA LYS ASP THR ILE PHE TYR ARG ALA ALA SEQRES 8 A 112 VAL ARG LEU ARG GLU GLN GLY GLY ALA VAL LEU ARG GLN SEQRES 9 A 112 ALA ARG ARG GLN ALA GLU LYS MET HET UNN A 292 24 ATOM 1 N MET A 628 23.141 -45.613 -1.690 1.00 38.70 N ATOM 2 CA MET A 628 24.129 -44.739 -1.066 1.00 35.34 C ATOM 3 C MET A 628 23.879 -44.620 0.436 1.00 31.15 C ATOM 4 O MET A 628 22.806 -44.971 0.927 1.00 22.62 O ATOM 5 CB MET A 628 24.119 -43.351 -1.712 1.00 38.08 C ATOM 6 CG MET A 628 23.098 -42.401 -1.115 1.00 33.76 C ATOM 7 SD MET A 628 23.079 -40.751 -1.853 1.00 48.45 S ATOM 8 CE MET A 628 22.281 -41.104 -3.416 1.00 49.85 C ATOM 9 HN3 MET A 628 22.189 -45.222 -1.539 1.00 0.00 H ATOM 10 HN2 MET A 628 23.200 -46.560 -1.264 1.00 0.00 H ATOM 11 HN1 MET A 628 23.332 -45.678 -2.710 1.00 0.00 H ATOM 12 N GLN A 629 24.878 -44.111 1.151 1.00 27.94 N ATOM 13 CA GLN A 629 24.823 -44.008 2.603 1.00 22.42 C ATOM 14 C GLN A 629 24.047 -42.767 3.028 1.00 20.44 C ATOM 15 O GLN A 629 24.156 -41.705 2.414 1.00 20.79 O ATOM 16 CB GLN A 629 26.248 -43.930 3.152 1.00 26.60 C ATOM 17 CG GLN A 629 26.386 -44.198 4.641 1.00 34.88 C ATOM 18 CD GLN A 629 27.809 -44.000 5.134 1.00 43.90 C ATOM 19 OE1 GLN A 629 28.766 -44.136 4.369 1.00 45.77 O ATOM 20 NE2 GLN A 629 27.953 -43.663 6.413 1.00 41.99 N ATOM 21 HE22 GLN A 629 27.116 -43.560 7.021 1.00 0.00 H ATOM 22 HE21 GLN A 629 28.903 -43.503 6.805 1.00 0.00 H ATOM 23 H GLN A 629 25.729 -43.775 0.656 1.00 0.00 H ATOM 24 N LEU A 630 23.291 -42.896 4.118 1.00 19.60 N ATOM 25 CA LEU A 630 22.431 -41.812 4.583 1.00 16.91 C ATOM 26 C LEU A 630 23.236 -40.662 5.195 1.00 16.61 C ATOM 27 O LEU A 630 23.018 -39.494 4.863 1.00 16.65 O ATOM 28 CB LEU A 630 21.416 -42.366 5.585 1.00 20.61 C ATOM 29 CG LEU A 630 20.517 -41.336 6.265 1.00 23.63 C ATOM 30 CD1 LEU A 630 19.641 -40.615 5.254 1.00 26.59 C ATOM 31 CD2 LEU A 630 19.671 -41.999 7.353 1.00 31.96 C ATOM 32 H LEU A 630 23.314 -43.790 4.650 1.00 0.00 H ATOM 33 N THR A 631 24.163 -40.976 6.095 1.00 17.47 N ATOM 34 CA THR A 631 24.852 -39.936 6.861 1.00 17.65 C ATOM 35 C THR A 631 25.595 -38.924 5.993 1.00 16.65 C ATOM 36 O THR A 631 25.433 -37.712 6.226 1.00 16.75 O ATOM 37 CB THR A 631 25.729 -40.568 7.952 1.00 19.52 C ATOM 38 OG1 THR A 631 24.912 -41.321 8.858 1.00 25.68 O ATOM 39 CG2 THR A 631 26.435 -39.496 8.736 1.00 28.16 C ATOM 40 HG1 THR A 631 25.484 -41.725 9.558 1.00 0.00 H ATOM 41 H THR A 631 24.402 -41.975 6.257 1.00 0.00 H ATOM 42 N PRO A 632 26.397 -39.319 4.996 1.00 16.98 N ATOM 43 CA PRO A 632 27.055 -38.291 4.170 1.00 16.82 C ATOM 44 C PRO A 632 26.068 -37.447 3.396 1.00 15.84 C ATOM 45 O PRO A 632 26.326 -36.264 3.150 1.00 15.88 O ATOM 46 CB PRO A 632 27.975 -39.106 3.242 1.00 19.78 C ATOM 47 CG PRO A 632 28.107 -40.447 3.888 1.00 22.20 C ATOM 48 CD PRO A 632 26.814 -40.677 4.604 1.00 18.71 C ATOM 49 N PHE A 633 24.931 -38.024 3.007 1.00 15.44 N ATOM 50 CA PHE A 633 23.915 -37.248 2.317 1.00 14.89 C ATOM 51 C PHE A 633 23.326 -36.175 3.227 1.00 14.04 C ATOM 52 O PHE A 633 23.168 -35.023 2.807 1.00 14.35 O ATOM 53 CB PHE A 633 22.837 -38.179 1.754 1.00 15.51 C ATOM 54 CG PHE A 633 21.732 -37.452 1.053 1.00 14.80 C ATOM 55 CD1 PHE A 633 21.952 -36.848 -0.176 1.00 17.44 C ATOM 56 CD2 PHE A 633 20.482 -37.340 1.637 1.00 15.88 C ATOM 57 CE1 PHE A 633 20.923 -36.159 -0.815 1.00 17.47 C ATOM 58 CE2 PHE A 633 19.463 -36.649 1.007 1.00 15.62 C ATOM 59 CZ PHE A 633 19.684 -36.065 -0.212 1.00 15.63 C ATOM 60 H PHE A 633 24.771 -39.034 3.198 1.00 0.00 H ATOM 61 N LEU A 634 23.016 -36.519 4.479 1.00 15.41 N ATOM 62 CA LEU A 634 22.476 -35.508 5.385 1.00 15.76 C ATOM 63 C LEU A 634 23.512 -34.440 5.716 1.00 16.24 C ATOM 64 O LEU A 634 23.171 -33.257 5.843 1.00 15.82 O ATOM 65 CB LEU A 634 21.949 -36.156 6.662 1.00 18.03 C ATOM 66 CG LEU A 634 20.769 -37.112 6.478 1.00 19.31 C ATOM 67 CD1 LEU A 634 20.376 -37.695 7.810 1.00 25.57 C ATOM 68 CD2 LEU A 634 19.593 -36.386 5.836 1.00 23.22 C ATOM 69 H LEU A 634 23.157 -37.496 4.806 1.00 0.00 H ATOM 70 N ILE A 635 24.781 -34.830 5.860 1.00 14.90 N ATOM 71 CA ILE A 635 25.838 -33.847 6.084 1.00 16.55 C ATOM 72 C ILE A 635 25.887 -32.859 4.928 1.00 16.52 C ATOM 73 O ILE A 635 25.997 -31.641 5.132 1.00 15.92 O ATOM 74 CB ILE A 635 27.186 -34.563 6.292 1.00 16.36 C ATOM 75 CG1 ILE A 635 27.198 -35.286 7.637 1.00 18.28 C ATOM 76 CG2 ILE A 635 28.350 -33.571 6.206 1.00 19.08 C ATOM 77 CD1 ILE A 635 28.343 -36.257 7.798 1.00 20.77 C ATOM 78 H ILE A 635 25.019 -35.841 5.812 1.00 0.00 H ATOM 79 N LEU A 636 25.796 -33.369 3.698 1.00 14.56 N ATOM 80 CA LEU A 636 25.765 -32.507 2.525 1.00 15.25 C ATOM 81 C LEU A 636 24.560 -31.574 2.556 1.00 14.03 C ATOM 82 O LEU A 636 24.687 -30.377 2.262 1.00 14.46 O ATOM 83 CB LEU A 636 25.743 -33.371 1.264 1.00 16.23 C ATOM 84 CG LEU A 636 25.514 -32.605 -0.040 1.00 15.44 C ATOM 85 CD1 LEU A 636 26.653 -31.629 -0.343 1.00 19.01 C ATOM 86 CD2 LEU A 636 25.301 -33.591 -1.187 1.00 22.32 C ATOM 87 H LEU A 636 25.746 -34.401 3.575 1.00 0.00 H ATOM 88 N LEU A 637 23.373 -32.093 2.895 1.00 13.95 N ATOM 89 CA LEU A 637 22.203 -31.217 2.920 1.00 13.44 C ATOM 90 C LEU A 637 22.329 -30.139 3.990 1.00 13.49 C ATOM 91 O LEU A 637 21.927 -28.990 3.761 1.00 13.89 O ATOM 92 CB LEU A 637 20.917 -32.017 3.120 1.00 14.74 C ATOM 93 CG LEU A 637 20.461 -32.941 1.992 1.00 15.35 C ATOM 94 CD1 LEU A 637 19.046 -33.425 2.269 1.00 16.79 C ATOM 95 CD2 LEU A 637 20.547 -32.236 0.643 1.00 16.88 C ATOM 96 H LEU A 637 23.285 -33.101 3.136 1.00 0.00 H ATOM 97 N ARG A 638 22.892 -30.477 5.156 1.00 14.74 N ATOM 98 CA ARG A 638 23.097 -29.469 6.194 1.00 15.98 C ATOM 99 C ARG A 638 24.006 -28.354 5.699 1.00 16.08 C ATOM 100 O ARG A 638 23.728 -27.166 5.906 1.00 17.11 O ATOM 101 CB ARG A 638 23.714 -30.108 7.438 1.00 17.22 C ATOM 102 CG ARG A 638 22.758 -30.985 8.212 1.00 19.30 C ATOM 103 CD ARG A 638 23.400 -31.580 9.460 1.00 22.48 C ATOM 104 NE ARG A 638 22.499 -32.589 10.003 1.00 22.67 N ATOM 105 CZ ARG A 638 22.740 -33.894 9.994 1.00 24.53 C ATOM 106 NH1 ARG A 638 23.887 -34.357 9.517 1.00 24.76 N ATOM 107 NH2 ARG A 638 21.840 -34.734 10.482 1.00 27.35 N ATOM 108 HE ARG A 638 21.606 -32.264 10.426 1.00 0.00 H ATOM 109 HH12 ARG A 638 24.073 -35.380 9.511 1.00 0.00 H ATOM 110 HH11 ARG A 638 24.601 -33.697 9.148 1.00 0.00 H ATOM 111 HH22 ARG A 638 22.027 -35.757 10.476 1.00 0.00 H ATOM 112 HH21 ARG A 638 20.947 -34.371 10.871 1.00 0.00 H ATOM 113 H ARG A 638 23.185 -31.461 5.324 1.00 0.00 H ATOM 114 N LYS A 639 25.116 -28.723 5.064 1.00 15.54 N ATOM 115 CA LYS A 639 26.042 -27.723 4.542 1.00 16.94 C ATOM 116 C LYS A 639 25.366 -26.877 3.475 1.00 16.40 C ATOM 117 O LYS A 639 25.539 -25.651 3.433 1.00 16.68 O ATOM 118 CB LYS A 639 27.261 -28.439 3.960 1.00 18.51 C ATOM 119 CG LYS A 639 28.300 -27.527 3.318 1.00 21.39 C ATOM 120 CD LYS A 639 29.448 -28.357 2.753 1.00 34.51 C ATOM 121 CE LYS A 639 30.587 -27.488 2.229 1.00 43.56 C ATOM 122 NZ LYS A 639 30.408 -27.108 0.799 1.00 46.80 N ATOM 123 HZ1 LYS A 639 30.368 -27.968 0.215 1.00 0.00 H ATOM 124 HZ2 LYS A 639 29.523 -26.573 0.692 1.00 0.00 H ATOM 125 HZ3 LYS A 639 31.209 -26.519 0.495 1.00 0.00 H ATOM 126 H LYS A 639 25.326 -29.734 4.939 1.00 0.00 H ATOM 127 N THR A 640 24.603 -27.522 2.594 1.00 14.56 N ATOM 128 CA THR A 640 23.909 -26.815 1.524 1.00 13.80 C ATOM 129 C THR A 640 22.893 -25.836 2.087 1.00 13.63 C ATOM 130 O THR A 640 22.805 -24.689 1.631 1.00 14.31 O ATOM 131 CB THR A 640 23.230 -27.827 0.597 1.00 13.63 C ATOM 132 OG1 THR A 640 24.203 -28.764 0.116 1.00 15.64 O ATOM 133 CG2 THR A 640 22.595 -27.118 -0.593 1.00 15.05 C ATOM 134 HG1 THR A 640 24.609 -29.240 0.883 1.00 0.00 H ATOM 135 H THR A 640 24.500 -28.554 2.671 1.00 0.00 H ATOM 136 N LEU A 641 22.126 -26.259 3.088 1.00 13.88 N ATOM 137 CA LEU A 641 21.158 -25.361 3.705 1.00 14.36 C ATOM 138 C LEU A 641 21.841 -24.149 4.326 1.00 16.66 C ATOM 139 O LEU A 641 21.346 -23.021 4.207 1.00 17.69 O ATOM 140 CB LEU A 641 20.338 -26.129 4.741 1.00 15.93 C ATOM 141 CG LEU A 641 19.208 -25.358 5.424 1.00 16.72 C ATOM 142 CD1 LEU A 641 18.215 -24.828 4.402 1.00 19.04 C ATOM 143 CD2 LEU A 641 18.497 -26.278 6.407 1.00 17.87 C ATOM 144 H LEU A 641 22.218 -27.236 3.432 1.00 0.00 H ATOM 145 N GLU A 642 22.988 -24.351 4.979 1.00 15.56 N ATOM 146 CA GLU A 642 23.726 -23.223 5.533 1.00 17.80 C ATOM 147 C GLU A 642 24.180 -22.269 4.435 1.00 19.23 C ATOM 148 O GLU A 642 24.081 -21.045 4.587 1.00 19.20 O ATOM 149 CB GLU A 642 24.913 -23.726 6.346 1.00 20.64 C ATOM 150 CG GLU A 642 24.531 -24.332 7.684 1.00 30.04 C ATOM 151 CD GLU A 642 25.736 -24.600 8.565 1.00 49.47 C ATOM 152 OE1 GLU A 642 26.872 -24.563 8.045 1.00 52.49 O ATOM 153 OE2 GLU A 642 25.545 -24.842 9.777 1.00 57.34 O ATOM 154 H GLU A 642 23.356 -25.317 5.093 1.00 0.00 H ATOM 155 N GLN A 643 24.650 -22.809 3.306 1.00 15.58 N ATOM 156 CA GLN A 643 25.073 -21.961 2.195 1.00 17.98 C ATOM 157 C GLN A 643 23.901 -21.178 1.617 1.00 17.24 C ATOM 158 O GLN A 643 24.048 -20.007 1.241 1.00 17.55 O ATOM 159 CB GLN A 643 25.753 -22.811 1.119 1.00 17.53 C ATOM 160 CG GLN A 643 27.112 -23.345 1.555 1.00 19.13 C ATOM 161 CD GLN A 643 27.664 -24.437 0.658 1.00 23.49 C ATOM 162 OE1 GLN A 643 26.923 -25.167 0.007 1.00 23.58 O ATOM 163 NE2 GLN A 643 28.989 -24.562 0.635 1.00 26.70 N ATOM 164 HE22 GLN A 643 29.582 -23.922 1.202 1.00 0.00 H ATOM 165 HE21 GLN A 643 29.432 -25.299 0.050 1.00 0.00 H ATOM 166 H GLN A 643 24.715 -23.843 3.218 1.00 0.00 H ATOM 167 N LEU A 644 22.726 -21.799 1.538 1.00 16.06 N ATOM 168 CA LEU A 644 21.552 -21.085 1.041 1.00 16.93 C ATOM 169 C LEU A 644 21.153 -19.964 1.985 1.00 16.16 C ATOM 170 O LEU A 644 20.837 -18.854 1.535 1.00 17.69 O ATOM 171 CB LEU A 644 20.386 -22.051 0.853 1.00 16.54 C ATOM 172 CG LEU A 644 20.614 -23.095 -0.230 1.00 17.01 C ATOM 173 CD1 LEU A 644 19.527 -24.149 -0.179 1.00 17.74 C ATOM 174 CD2 LEU A 644 20.685 -22.486 -1.624 1.00 19.17 C ATOM 175 H LEU A 644 22.644 -22.794 1.830 1.00 0.00 H ATOM 176 N GLN A 645 21.153 -20.226 3.290 1.00 17.45 N ATOM 177 CA GLN A 645 20.821 -19.187 4.257 1.00 21.21 C ATOM 178 C GLN A 645 21.790 -18.019 4.175 1.00 22.88 C ATOM 179 O GLN A 645 21.398 -16.870 4.413 1.00 22.64 O ATOM 180 CB GLN A 645 20.815 -19.754 5.676 1.00 21.62 C ATOM 181 CG GLN A 645 19.749 -20.794 5.906 1.00 23.70 C ATOM 182 CD GLN A 645 19.089 -20.649 7.253 1.00 28.84 C ATOM 183 OE1 GLN A 645 19.067 -21.589 8.045 1.00 37.80 O ATOM 184 NE2 GLN A 645 18.529 -19.467 7.519 1.00 25.84 N ATOM 185 HE22 GLN A 645 18.573 -18.701 6.817 1.00 0.00 H ATOM 186 HE21 GLN A 645 18.048 -19.312 8.428 1.00 0.00 H ATOM 187 H GLN A 645 21.392 -21.182 3.623 1.00 0.00 H ATOM 188 N GLU A 646 23.060 -18.291 3.858 1.00 18.95 N ATOM 189 CA GLU A 646 24.035 -17.217 3.705 1.00 19.05 C ATOM 190 C GLU A 646 23.680 -16.297 2.544 1.00 18.34 C ATOM 191 O GLU A 646 23.998 -15.105 2.586 1.00 20.61 O ATOM 192 CB GLU A 646 25.429 -17.805 3.499 1.00 22.04 C ATOM 193 CG GLU A 646 26.068 -18.387 4.740 1.00 33.80 C ATOM 194 CD GLU A 646 27.483 -18.859 4.476 1.00 55.93 C ATOM 195 OE1 GLU A 646 28.056 -18.460 3.438 1.00 63.28 O ATOM 196 OE2 GLU A 646 28.019 -19.635 5.296 1.00 62.32 O ATOM 197 H GLU A 646 23.356 -19.278 3.719 1.00 0.00 H ATOM 198 N LYS A 647 23.027 -16.819 1.502 1.00 17.70 N ATOM 199 CA LYS A 647 22.611 -15.973 0.384 1.00 17.49 C ATOM 200 C LYS A 647 21.466 -15.045 0.764 1.00 18.65 C ATOM 201 O LYS A 647 21.324 -13.965 0.181 1.00 18.67 O ATOM 202 CB LYS A 647 22.216 -16.810 -0.835 1.00 20.75 C ATOM 203 CG LYS A 647 23.305 -17.725 -1.370 1.00 18.27 C ATOM 204 CD LYS A 647 24.550 -16.960 -1.764 1.00 21.52 C ATOM 205 CE LYS A 647 25.572 -17.909 -2.373 1.00 23.41 C ATOM 206 NZ LYS A 647 26.872 -17.245 -2.622 1.00 26.87 N ATOM 207 HZ1 LYS A 647 26.734 -16.452 -3.280 1.00 0.00 H ATOM 208 HZ2 LYS A 647 27.256 -16.889 -1.723 1.00 0.00 H ATOM 209 HZ3 LYS A 647 27.536 -17.930 -3.037 1.00 0.00 H ATOM 210 H LYS A 647 22.812 -17.837 1.486 1.00 0.00 H ATOM 211 N ASP A 648 20.636 -15.446 1.724 1.00 17.28 N ATOM 212 CA ASP A 648 19.511 -14.635 2.190 1.00 17.33 C ATOM 213 C ASP A 648 20.044 -13.663 3.240 1.00 17.10 C ATOM 214 O ASP A 648 19.897 -13.853 4.449 1.00 17.38 O ATOM 215 CB ASP A 648 18.455 -15.565 2.773 1.00 16.47 C ATOM 216 CG ASP A 648 17.324 -14.836 3.468 1.00 18.15 C ATOM 217 OD1 ASP A 648 17.070 -13.650 3.176 1.00 18.87 O ATOM 218 OD2 ASP A 648 16.670 -15.481 4.311 1.00 17.62 O ATOM 219 H ASP A 648 20.794 -16.376 2.162 1.00 0.00 H ATOM 220 N THR A 649 20.694 -12.589 2.766 1.00 16.60 N ATOM 221 CA THR A 649 21.395 -11.713 3.701 1.00 18.97 C ATOM 222 C THR A 649 20.440 -10.901 4.565 1.00 18.58 C ATOM 223 O THR A 649 20.815 -10.503 5.674 1.00 22.77 O ATOM 224 CB THR A 649 22.388 -10.786 2.992 1.00 18.35 C ATOM 225 OG1 THR A 649 21.671 -9.879 2.145 1.00 17.67 O ATOM 226 CG2 THR A 649 23.407 -11.598 2.186 1.00 20.17 C ATOM 227 HG1 THR A 649 22.312 -9.280 1.687 1.00 0.00 H ATOM 228 H THR A 649 20.699 -12.383 1.747 1.00 0.00 H ATOM 229 N GLY A 650 19.229 -10.645 4.094 1.00 18.95 N ATOM 230 CA GLY A 650 18.259 -9.966 4.930 1.00 23.06 C ATOM 231 C GLY A 650 17.544 -10.868 5.905 1.00 21.88 C ATOM 232 O GLY A 650 16.763 -10.384 6.730 1.00 22.65 O ATOM 233 H GLY A 650 18.975 -10.930 3.127 1.00 0.00 H ATOM 234 N ASN A 651 17.803 -12.178 5.826 1.00 18.64 N ATOM 235 CA ASN A 651 17.141 -13.183 6.657 1.00 19.12 C ATOM 236 C ASN A 651 15.624 -13.146 6.510 1.00 17.07 C ATOM 237 O ASN A 651 14.895 -13.474 7.446 1.00 24.07 O ATOM 238 CB ASN A 651 17.587 -13.109 8.118 1.00 22.69 C ATOM 239 CG ASN A 651 19.041 -13.472 8.279 1.00 23.37 C ATOM 240 OD1 ASN A 651 19.501 -14.465 7.721 1.00 26.98 O ATOM 241 ND2 ASN A 651 19.782 -12.652 9.005 1.00 32.73 N ATOM 242 HD22 ASN A 651 19.348 -11.823 9.459 1.00 0.00 H ATOM 243 HD21 ASN A 651 20.799 -12.836 9.122 1.00 0.00 H ATOM 244 H ASN A 651 18.513 -12.499 5.137 1.00 0.00 H ATOM 245 N ILE A 652 15.130 -12.759 5.334 1.00 16.06 N ATOM 246 CA ILE A 652 13.684 -12.686 5.182 1.00 19.17 C ATOM 247 C ILE A 652 13.055 -14.064 5.070 1.00 17.16 C ATOM 248 O ILE A 652 11.849 -14.199 5.293 1.00 18.61 O ATOM 249 CB ILE A 652 13.226 -11.730 4.067 1.00 24.39 C ATOM 250 CG1 ILE A 652 13.581 -12.282 2.705 1.00 23.36 C ATOM 251 CG2 ILE A 652 13.867 -10.363 4.234 1.00 25.17 C ATOM 252 CD1 ILE A 652 12.901 -11.531 1.581 1.00 31.03 C ATOM 253 H ILE A 652 15.762 -12.515 4.545 1.00 0.00 H ATOM 254 N PHE A 653 13.843 -15.091 4.736 1.00 14.40 N ATOM 255 CA PHE A 653 13.351 -16.456 4.595 1.00 13.56 C ATOM 256 C PHE A 653 13.764 -17.350 5.755 1.00 14.57 C ATOM 257 O PHE A 653 13.557 -18.567 5.686 1.00 14.78 O ATOM 258 CB PHE A 653 13.842 -17.046 3.275 1.00 14.06 C ATOM 259 CG PHE A 653 13.555 -16.173 2.084 1.00 13.05 C ATOM 260 CD1 PHE A 653 12.261 -15.950 1.667 1.00 15.04 C ATOM 261 CD2 PHE A 653 14.590 -15.569 1.390 1.00 15.77 C ATOM 262 CE1 PHE A 653 12.005 -15.137 0.563 1.00 15.74 C ATOM 263 CE2 PHE A 653 14.344 -14.737 0.304 1.00 16.62 C ATOM 264 CZ PHE A 653 13.048 -14.532 -0.116 1.00 15.28 C ATOM 265 H PHE A 653 14.853 -14.908 4.569 1.00 0.00 H ATOM 266 N SER A 654 14.316 -16.778 6.828 1.00 15.35 N ATOM 267 CA SER A 654 14.865 -17.587 7.913 1.00 17.08 C ATOM 268 C SER A 654 13.780 -18.288 8.721 1.00 17.44 C ATOM 269 O SER A 654 14.017 -19.382 9.248 1.00 19.01 O ATOM 270 CB SER A 654 15.731 -16.725 8.833 1.00 19.59 C ATOM 271 OG SER A 654 16.853 -16.203 8.144 1.00 22.92 O ATOM 272 HG SER A 654 17.405 -16.950 7.800 1.00 0.00 H ATOM 273 H SER A 654 14.356 -15.741 6.892 1.00 0.00 H ATOM 274 N GLU A 655 12.607 -17.681 8.846 1.00 18.54 N ATOM 275 CA GLU A 655 11.532 -18.186 9.685 1.00 19.13 C ATOM 276 C GLU A 655 10.230 -18.038 8.916 1.00 17.22 C ATOM 277 O GLU A 655 10.172 -17.300 7.928 1.00 16.63 O ATOM 278 CB GLU A 655 11.467 -17.377 10.989 1.00 22.28 C ATOM 279 CG GLU A 655 12.720 -17.515 11.838 1.00 27.80 C ATOM 280 CD GLU A 655 12.669 -16.693 13.108 1.00 42.31 C ATOM 281 OE1 GLU A 655 11.769 -15.835 13.228 1.00 47.20 O ATOM 282 OE2 GLU A 655 13.532 -16.907 13.985 1.00 49.61 O ATOM 283 H GLU A 655 12.448 -16.800 8.317 1.00 0.00 H ATOM 284 N PRO A 656 9.166 -18.727 9.342 1.00 19.07 N ATOM 285 CA PRO A 656 7.894 -18.611 8.617 1.00 18.08 C ATOM 286 C PRO A 656 7.466 -17.155 8.489 1.00 17.01 C ATOM 287 O PRO A 656 7.670 -16.344 9.400 1.00 20.78 O ATOM 288 CB PRO A 656 6.915 -19.397 9.497 1.00 19.47 C ATOM 289 CG PRO A 656 7.764 -20.392 10.202 1.00 22.50 C ATOM 290 CD PRO A 656 9.077 -19.694 10.452 1.00 19.95 C ATOM 291 N VAL A 657 6.866 -16.827 7.350 1.00 17.66 N ATOM 292 CA VAL A 657 6.165 -15.554 7.196 1.00 19.22 C ATOM 293 C VAL A 657 5.224 -15.405 8.387 1.00 22.02 C ATOM 294 O VAL A 657 4.450 -16.330 8.683 1.00 21.49 O ATOM 295 CB VAL A 657 5.406 -15.500 5.862 1.00 19.08 C ATOM 296 CG1 VAL A 657 4.574 -14.229 5.761 1.00 21.90 C ATOM 297 CG2 VAL A 657 6.384 -15.597 4.698 1.00 18.43 C ATOM 298 H VAL A 657 6.896 -17.491 6.550 1.00 0.00 H ATOM 299 N PRO A 658 5.279 -14.294 9.125 1.00 21.24 N ATOM 300 CA PRO A 658 4.452 -14.176 10.335 1.00 24.04 C ATOM 301 C PRO A 658 2.981 -13.964 10.015 1.00 25.91 C ATOM 302 O PRO A 658 2.566 -12.860 9.645 1.00 23.99 O ATOM 303 CB PRO A 658 5.061 -12.971 11.062 1.00 24.78 C ATOM 304 CG PRO A 658 5.647 -12.139 9.963 1.00 26.24 C ATOM 305 CD PRO A 658 6.151 -13.120 8.932 1.00 22.54 C ATOM 306 N LEU A 659 2.184 -15.027 10.175 1.00 23.28 N ATOM 307 CA LEU A 659 0.790 -14.984 9.744 1.00 27.86 C ATOM 308 C LEU A 659 -0.030 -13.982 10.546 1.00 31.34 C ATOM 309 O LEU A 659 -1.043 -13.480 10.046 1.00 31.90 O ATOM 310 CB LEU A 659 0.176 -16.382 9.807 1.00 26.93 C ATOM 311 CG LEU A 659 0.864 -17.447 8.949 1.00 24.98 C ATOM 312 CD1 LEU A 659 0.141 -18.778 9.102 1.00 31.96 C ATOM 313 CD2 LEU A 659 0.912 -17.030 7.489 1.00 24.13 C ATOM 314 H LEU A 659 2.562 -15.893 10.611 1.00 0.00 H ATOM 315 N SER A 660 0.386 -13.677 11.780 1.00 29.13 N ATOM 316 CA SER A 660 -0.301 -12.653 12.560 1.00 32.55 C ATOM 317 C SER A 660 -0.211 -11.286 11.895 1.00 27.75 C ATOM 318 O SER A 660 -1.141 -10.477 12.004 1.00 34.08 O ATOM 319 CB SER A 660 0.269 -12.591 13.979 1.00 37.53 C ATOM 320 OG SER A 660 1.649 -12.266 13.959 1.00 41.49 O ATOM 321 HG SER A 660 2.142 -12.956 13.448 1.00 0.00 H ATOM 322 H SER A 660 1.205 -14.173 12.186 1.00 0.00 H ATOM 323 N GLU A 661 0.893 -11.010 11.205 1.00 31.39 N ATOM 324 CA GLU A 661 1.068 -9.741 10.515 1.00 32.70 C ATOM 325 C GLU A 661 0.548 -9.774 9.089 1.00 35.85 C ATOM 326 O GLU A 661 0.328 -8.711 8.494 1.00 35.77 O ATOM 327 CB GLU A 661 2.554 -9.374 10.485 1.00 36.48 C ATOM 328 CG GLU A 661 3.175 -9.199 11.859 1.00 46.01 C ATOM 329 CD GLU A 661 4.675 -8.989 11.798 1.00 54.19 C ATOM 330 OE1 GLU A 661 5.392 -9.573 12.638 1.00 58.42 O ATOM 331 OE2 GLU A 661 5.137 -8.247 10.905 1.00 56.21 O ATOM 332 H GLU A 661 1.651 -11.720 11.158 1.00 0.00 H ATOM 333 N VAL A 662 0.353 -10.964 8.528 1.00 29.20 N ATOM 334 CA VAL A 662 -0.022 -11.118 7.125 1.00 30.78 C ATOM 335 C VAL A 662 -1.239 -12.035 7.058 1.00 29.68 C ATOM 336 O VAL A 662 -1.136 -13.169 6.566 1.00 28.37 O ATOM 337 CB VAL A 662 1.155 -11.671 6.304 1.00 27.73 C ATOM 338 CG1 VAL A 662 0.942 -11.403 4.840 1.00 32.97 C ATOM 339 CG2 VAL A 662 2.473 -11.060 6.762 1.00 29.49 C ATOM 340 H VAL A 662 0.472 -11.817 9.111 1.00 0.00 H ATOM 341 N PRO A 663 -2.407 -11.594 7.542 1.00 34.22 N ATOM 342 CA PRO A 663 -3.546 -12.519 7.668 1.00 32.99 C ATOM 343 C PRO A 663 -4.120 -12.994 6.344 1.00 34.67 C ATOM 344 O PRO A 663 -4.864 -13.982 6.339 1.00 34.59 O ATOM 345 CB PRO A 663 -4.572 -11.713 8.475 1.00 34.68 C ATOM 346 CG PRO A 663 -4.222 -10.292 8.195 1.00 36.05 C ATOM 347 CD PRO A 663 -2.733 -10.244 8.033 1.00 38.92 C ATOM 348 N ASP A 664 -3.809 -12.339 5.228 1.00 30.71 N ATOM 349 CA ASP A 664 -4.264 -12.814 3.927 1.00 30.61 C ATOM 350 C ASP A 664 -3.268 -13.748 3.248 1.00 28.43 C ATOM 351 O ASP A 664 -3.547 -14.224 2.143 1.00 29.67 O ATOM 352 CB ASP A 664 -4.625 -11.638 3.003 1.00 33.00 C ATOM 353 CG ASP A 664 -3.406 -10.894 2.469 1.00 39.08 C ATOM 354 OD1 ASP A 664 -2.310 -10.986 3.062 1.00 31.69 O ATOM 355 OD2 ASP A 664 -3.554 -10.191 1.446 1.00 42.89 O ATOM 356 H ASP A 664 -3.233 -11.475 5.285 1.00 0.00 H ATOM 357 N TYR A 665 -2.127 -14.032 3.889 1.00 25.00 N ATOM 358 CA TYR A 665 -1.072 -14.813 3.243 1.00 22.57 C ATOM 359 C TYR A 665 -1.583 -16.166 2.766 1.00 24.31 C ATOM 360 O TYR A 665 -1.292 -16.584 1.638 1.00 23.78 O ATOM 361 CB TYR A 665 0.099 -14.994 4.209 1.00 21.61 C ATOM 362 CG TYR A 665 1.339 -15.558 3.555 1.00 19.06 C ATOM 363 CD1 TYR A 665 2.109 -14.778 2.702 1.00 18.28 C ATOM 364 CD2 TYR A 665 1.744 -16.865 3.789 1.00 19.25 C ATOM 365 CE1 TYR A 665 3.251 -15.284 2.097 1.00 17.21 C ATOM 366 CE2 TYR A 665 2.880 -17.378 3.192 1.00 17.64 C ATOM 367 CZ TYR A 665 3.623 -16.585 2.348 1.00 15.97 C ATOM 368 OH TYR A 665 4.752 -17.100 1.754 1.00 17.65 O ATOM 369 HH TYR A 665 5.168 -16.407 1.182 1.00 0.00 H ATOM 370 H TYR A 665 -1.989 -13.692 4.862 1.00 0.00 H ATOM 371 N LEU A 666 -2.361 -16.859 3.602 1.00 23.05 N ATOM 372 CA LEU A 666 -2.857 -18.180 3.243 1.00 26.43 C ATOM 373 C LEU A 666 -3.971 -18.139 2.203 1.00 29.55 C ATOM 374 O LEU A 666 -4.306 -19.193 1.650 1.00 33.77 O ATOM 375 CB LEU A 666 -3.298 -18.941 4.497 1.00 28.03 C ATOM 376 CG LEU A 666 -2.165 -19.246 5.482 1.00 27.17 C ATOM 377 CD1 LEU A 666 -2.672 -20.018 6.686 1.00 29.08 C ATOM 378 CD2 LEU A 666 -1.049 -20.012 4.793 1.00 29.84 C ATOM 379 H LEU A 666 -2.616 -16.449 4.523 1.00 0.00 H ATOM 380 N ASP A 667 -4.539 -16.961 1.919 1.00 29.18 N ATOM 381 CA ASP A 667 -5.470 -16.840 0.799 1.00 35.17 C ATOM 382 C ASP A 667 -4.761 -17.059 -0.528 1.00 40.35 C ATOM 383 O ASP A 667 -5.379 -17.514 -1.497 1.00 44.41 O ATOM 384 CB ASP A 667 -6.106 -15.447 0.759 1.00 33.85 C ATOM 385 CG ASP A 667 -6.815 -15.077 2.041 1.00 37.06 C ATOM 386 OD1 ASP A 667 -7.087 -15.973 2.866 1.00 42.74 O ATOM 387 OD2 ASP A 667 -7.117 -13.875 2.211 1.00 40.91 O ATOM 388 H ASP A 667 -4.317 -16.127 2.499 1.00 0.00 H ATOM 389 N HIS A 668 -3.474 -16.722 -0.593 1.00 31.48 N ATOM 390 CA HIS A 668 -2.692 -16.807 -1.816 1.00 30.35 C ATOM 391 C HIS A 668 -1.731 -17.984 -1.845 1.00 29.83 C ATOM 392 O HIS A 668 -1.435 -18.495 -2.928 1.00 36.81 O ATOM 393 CB HIS A 668 -1.874 -15.521 -2.008 1.00 35.84 C ATOM 394 CG HIS A 668 -2.686 -14.266 -1.901 1.00 44.70 C ATOM 395 ND1 HIS A 668 -3.119 -13.561 -3.004 1.00 48.83 N ATOM 396 CD2 HIS A 668 -3.145 -13.592 -0.820 1.00 46.23 C ATOM 397 CE1 HIS A 668 -3.810 -12.507 -2.606 1.00 49.28 C ATOM 398 NE2 HIS A 668 -3.843 -12.504 -1.286 1.00 48.93 N ATOM 399 H HIS A 668 -3.006 -16.382 0.272 1.00 0.00 H ATOM 400 N ILE A 669 -1.253 -18.435 -0.686 1.00 25.33 N ATOM 401 CA ILE A 669 -0.132 -19.364 -0.584 1.00 22.75 C ATOM 402 C ILE A 669 -0.621 -20.642 0.086 1.00 25.79 C ATOM 403 O ILE A 669 -1.009 -20.621 1.260 1.00 26.60 O ATOM 404 CB ILE A 669 1.019 -18.744 0.222 1.00 20.18 C ATOM 405 CG1 ILE A 669 1.500 -17.434 -0.418 1.00 20.99 C ATOM 406 CG2 ILE A 669 2.163 -19.735 0.355 1.00 19.19 C ATOM 407 CD1 ILE A 669 1.923 -17.580 -1.861 1.00 22.89 C ATOM 408 H ILE A 669 -1.703 -18.108 0.193 1.00 0.00 H ATOM 409 N LYS A 670 -0.556 -21.761 -0.636 1.00 24.42 N ATOM 410 CA LYS A 670 -1.111 -22.995 -0.090 1.00 28.04 C ATOM 411 C LYS A 670 -0.143 -23.735 0.828 1.00 24.22 C ATOM 412 O LYS A 670 -0.587 -24.416 1.758 1.00 28.87 O ATOM 413 CB LYS A 670 -1.652 -23.898 -1.202 1.00 42.14 C ATOM 414 CG LYS A 670 -0.619 -24.383 -2.192 1.00 45.41 C ATOM 415 CD LYS A 670 -1.268 -25.221 -3.286 1.00 48.76 C ATOM 416 CE LYS A 670 -2.037 -26.395 -2.700 1.00 50.45 C ATOM 417 H LYS A 670 -0.115 -21.754 -1.578 1.00 0.00 H ATOM 418 N LYS A 671 1.167 -23.618 0.608 1.00 22.84 N ATOM 419 CA LYS A 671 2.147 -24.282 1.468 1.00 20.90 C ATOM 420 C LYS A 671 3.295 -23.341 1.800 1.00 20.39 C ATOM 421 O LYS A 671 4.280 -23.252 1.059 1.00 18.00 O ATOM 422 CB LYS A 671 2.671 -25.577 0.847 1.00 24.44 C ATOM 423 CG LYS A 671 3.590 -26.349 1.783 1.00 26.92 C ATOM 424 CD LYS A 671 4.031 -27.678 1.194 1.00 29.23 C ATOM 425 CE LYS A 671 5.012 -28.377 2.121 1.00 34.72 C ATOM 426 NZ LYS A 671 5.391 -29.727 1.617 1.00 39.00 N ATOM 427 HZ1 LYS A 671 4.539 -30.318 1.539 1.00 0.00 H ATOM 428 HZ2 LYS A 671 5.837 -29.634 0.682 1.00 0.00 H ATOM 429 HZ3 LYS A 671 6.061 -30.168 2.279 1.00 0.00 H ATOM 430 H LYS A 671 1.499 -23.042 -0.192 1.00 0.00 H ATOM 431 N PRO A 672 3.204 -22.629 2.920 1.00 17.64 N ATOM 432 CA PRO A 672 4.324 -21.780 3.346 1.00 17.27 C ATOM 433 C PRO A 672 5.586 -22.607 3.569 1.00 16.93 C ATOM 434 O PRO A 672 5.528 -23.794 3.900 1.00 17.74 O ATOM 435 CB PRO A 672 3.817 -21.166 4.657 1.00 17.57 C ATOM 436 CG PRO A 672 2.314 -21.204 4.535 1.00 22.44 C ATOM 437 CD PRO A 672 2.023 -22.484 3.792 1.00 21.99 C ATOM 438 N MET A 673 6.741 -21.969 3.384 1.00 16.55 N ATOM 439 CA MET A 673 8.019 -22.630 3.621 1.00 14.65 C ATOM 440 C MET A 673 9.057 -21.585 4.012 1.00 14.41 C ATOM 441 O MET A 673 8.955 -20.415 3.628 1.00 15.09 O ATOM 442 CB MET A 673 8.473 -23.431 2.392 1.00 15.05 C ATOM 443 CG MET A 673 9.669 -24.360 2.618 1.00 15.75 C ATOM 444 SD MET A 673 9.573 -25.434 4.072 1.00 16.06 S ATOM 445 CE MET A 673 8.035 -26.308 3.772 1.00 17.33 C ATOM 446 H MET A 673 6.731 -20.979 3.064 1.00 0.00 H ATOM 447 N ASP A 674 10.076 -22.024 4.756 1.00 14.19 N ATOM 448 CA ASP A 674 11.146 -21.150 5.232 1.00 13.09 C ATOM 449 C ASP A 674 12.320 -22.037 5.626 1.00 13.89 C ATOM 450 O ASP A 674 12.184 -23.258 5.727 1.00 15.09 O ATOM 451 CB ASP A 674 10.664 -20.345 6.434 1.00 15.64 C ATOM 452 CG ASP A 674 10.373 -21.231 7.607 1.00 17.03 C ATOM 453 OD1 ASP A 674 9.263 -21.804 7.658 1.00 19.35 O ATOM 454 OD2 ASP A 674 11.268 -21.401 8.455 1.00 18.79 O ATOM 455 H ASP A 674 10.109 -23.033 5.008 1.00 0.00 H ATOM 456 N PHE A 675 13.475 -21.414 5.880 1.00 13.78 N ATOM 457 CA PHE A 675 14.681 -22.199 6.148 1.00 14.60 C ATOM 458 C PHE A 675 14.641 -22.912 7.498 1.00 13.86 C ATOM 459 O PHE A 675 15.244 -23.986 7.640 1.00 15.51 O ATOM 460 CB PHE A 675 15.930 -21.326 6.063 1.00 15.02 C ATOM 461 CG PHE A 675 16.308 -20.920 4.659 1.00 13.89 C ATOM 462 CD1 PHE A 675 16.384 -21.850 3.635 1.00 15.99 C ATOM 463 CD2 PHE A 675 16.624 -19.592 4.378 1.00 15.33 C ATOM 464 CE1 PHE A 675 16.757 -21.453 2.350 1.00 16.11 C ATOM 465 CE2 PHE A 675 17.001 -19.206 3.099 1.00 16.09 C ATOM 466 CZ PHE A 675 17.071 -20.121 2.097 1.00 15.78 C ATOM 467 H PHE A 675 13.517 -20.375 5.887 1.00 0.00 H ATOM 468 N PHE A 676 13.972 -22.343 8.503 1.00 15.69 N ATOM 469 CA PHE A 676 13.865 -23.033 9.785 1.00 16.56 C ATOM 470 C PHE A 676 13.058 -24.314 9.637 1.00 18.12 C ATOM 471 O PHE A 676 13.451 -25.374 10.138 1.00 16.75 O ATOM 472 CB PHE A 676 13.246 -22.113 10.842 1.00 18.98 C ATOM 473 CG PHE A 676 13.150 -22.741 12.206 1.00 22.59 C ATOM 474 CD1 PHE A 676 14.244 -22.747 13.054 1.00 28.15 C ATOM 475 CD2 PHE A 676 11.970 -23.325 12.636 1.00 24.65 C ATOM 476 CE1 PHE A 676 14.163 -23.323 14.308 1.00 32.26 C ATOM 477 CE2 PHE A 676 11.884 -23.905 13.891 1.00 30.67 C ATOM 478 CZ PHE A 676 12.982 -23.903 14.723 1.00 31.74 C ATOM 479 H PHE A 676 13.528 -21.411 8.373 1.00 0.00 H ATOM 480 N THR A 677 11.922 -24.229 8.945 1.00 16.93 N ATOM 481 CA THR A 677 11.119 -25.415 8.677 1.00 16.50 C ATOM 482 C THR A 677 11.918 -26.439 7.883 1.00 15.39 C ATOM 483 O THR A 677 11.846 -27.643 8.162 1.00 16.84 O ATOM 484 CB THR A 677 9.841 -25.005 7.950 1.00 17.25 C ATOM 485 OG1 THR A 677 9.117 -24.086 8.778 1.00 20.75 O ATOM 486 CG2 THR A 677 8.967 -26.215 7.650 1.00 18.12 C ATOM 487 HG1 THR A 677 8.891 -24.525 9.636 1.00 0.00 H ATOM 488 H THR A 677 11.605 -23.304 8.592 1.00 0.00 H ATOM 489 N MET A 678 12.719 -25.981 6.914 1.00 14.67 N ATOM 490 CA MET A 678 13.553 -26.911 6.154 1.00 14.00 C ATOM 491 C MET A 678 14.545 -27.630 7.054 1.00 15.13 C ATOM 492 O MET A 678 14.776 -28.834 6.892 1.00 15.30 O ATOM 493 CB MET A 678 14.291 -26.197 5.021 1.00 14.88 C ATOM 494 CG MET A 678 13.404 -25.800 3.854 1.00 13.88 C ATOM 495 SD MET A 678 14.329 -25.246 2.409 1.00 14.66 S ATOM 496 CE MET A 678 15.166 -26.763 1.932 1.00 14.40 C ATOM 497 H MET A 678 12.748 -24.963 6.701 1.00 0.00 H ATOM 498 N LYS A 679 15.160 -26.909 7.993 1.00 15.19 N ATOM 499 CA LYS A 679 16.087 -27.544 8.922 1.00 15.68 C ATOM 500 C LYS A 679 15.381 -28.608 9.751 1.00 16.50 C ATOM 501 O LYS A 679 15.924 -29.695 9.971 1.00 16.34 O ATOM 502 CB LYS A 679 16.716 -26.480 9.824 1.00 15.71 C ATOM 503 CG LYS A 679 17.643 -27.048 10.876 1.00 18.98 C ATOM 504 CD LYS A 679 18.840 -27.751 10.267 1.00 23.22 C ATOM 505 CE LYS A 679 19.886 -28.017 11.345 1.00 34.64 C ATOM 506 NZ LYS A 679 21.036 -28.829 10.861 1.00 40.30 N ATOM 507 HZ1 LYS A 679 20.691 -29.750 10.524 1.00 0.00 H ATOM 508 HZ2 LYS A 679 21.509 -28.328 10.081 1.00 0.00 H ATOM 509 HZ3 LYS A 679 21.709 -28.974 11.640 1.00 0.00 H ATOM 510 H LYS A 679 14.977 -25.888 8.063 1.00 0.00 H ATOM 511 N GLN A 680 14.174 -28.305 10.237 1.00 16.90 N ATOM 512 CA GLN A 680 13.413 -29.293 10.997 1.00 18.24 C ATOM 513 C GLN A 680 13.112 -30.521 10.150 1.00 16.39 C ATOM 514 O GLN A 680 13.256 -31.659 10.619 1.00 17.55 O ATOM 515 CB GLN A 680 12.108 -28.674 11.484 1.00 21.64 C ATOM 516 CG GLN A 680 12.273 -27.521 12.460 1.00 26.59 C ATOM 517 CD GLN A 680 10.938 -26.978 12.935 1.00 38.34 C ATOM 518 OE1 GLN A 680 10.098 -26.569 12.132 1.00 40.59 O ATOM 519 NE2 GLN A 680 10.732 -26.982 14.247 1.00 45.16 N ATOM 520 HE22 GLN A 680 11.470 -27.337 14.888 1.00 0.00 H ATOM 521 HE21 GLN A 680 9.833 -26.630 14.633 1.00 0.00 H ATOM 522 H GLN A 680 13.774 -27.359 10.073 1.00 0.00 H ATOM 523 N ASN A 681 12.697 -30.308 8.897 1.00 16.16 N ATOM 524 CA ASN A 681 12.402 -31.426 8.008 1.00 17.31 C ATOM 525 C ASN A 681 13.644 -32.258 7.751 1.00 15.78 C ATOM 526 O ASN A 681 13.585 -33.493 7.761 1.00 16.61 O ATOM 527 CB ASN A 681 11.836 -30.902 6.690 1.00 16.83 C ATOM 528 CG ASN A 681 10.440 -30.362 6.836 1.00 18.61 C ATOM 529 OD1 ASN A 681 9.746 -30.666 7.799 1.00 22.35 O ATOM 530 ND2 ASN A 681 10.021 -29.554 5.878 1.00 18.01 N ATOM 531 HD22 ASN A 681 10.647 -29.325 5.080 1.00 0.00 H ATOM 532 HD21 ASN A 681 9.065 -29.147 5.922 1.00 0.00 H ATOM 533 H ASN A 681 12.583 -29.333 8.552 1.00 0.00 H ATOM 534 N LEU A 682 14.782 -31.596 7.537 1.00 15.86 N ATOM 535 CA LEU A 682 16.039 -32.297 7.312 1.00 15.15 C ATOM 536 C LEU A 682 16.357 -33.217 8.484 1.00 16.61 C ATOM 537 O LEU A 682 16.682 -34.399 8.303 1.00 17.30 O ATOM 538 CB LEU A 682 17.158 -31.268 7.123 1.00 16.63 C ATOM 539 CG LEU A 682 18.518 -31.718 6.583 1.00 16.97 C ATOM 540 CD1 LEU A 682 19.330 -30.506 6.175 1.00 18.31 C ATOM 541 CD2 LEU A 682 19.330 -32.535 7.573 1.00 21.49 C ATOM 542 H LEU A 682 14.772 -30.556 7.531 1.00 0.00 H ATOM 543 N GLU A 683 16.276 -32.683 9.702 1.00 16.68 N ATOM 544 CA GLU A 683 16.636 -33.455 10.884 1.00 19.23 C ATOM 545 C GLU A 683 15.602 -34.516 11.221 1.00 19.52 C ATOM 546 O GLU A 683 15.913 -35.452 11.967 1.00 21.78 O ATOM 547 CB GLU A 683 16.874 -32.532 12.081 1.00 21.04 C ATOM 548 CG GLU A 683 17.983 -31.510 11.872 1.00 22.85 C ATOM 549 CD GLU A 683 19.334 -32.133 11.538 1.00 25.89 C ATOM 550 OE1 GLU A 683 19.554 -33.332 11.824 1.00 27.14 O ATOM 551 OE2 GLU A 683 20.189 -31.409 10.988 1.00 25.17 O ATOM 552 H GLU A 683 15.951 -31.701 9.811 1.00 0.00 H ATOM 553 N ALA A 684 14.384 -34.397 10.692 1.00 18.06 N ATOM 554 CA ALA A 684 13.356 -35.418 10.836 1.00 21.47 C ATOM 555 C ALA A 684 13.427 -36.471 9.736 1.00 19.29 C ATOM 556 O ALA A 684 12.518 -37.303 9.630 1.00 21.38 O ATOM 557 CB ALA A 684 11.967 -34.773 10.866 1.00 24.60 C ATOM 558 H ALA A 684 14.158 -33.537 10.153 1.00 0.00 H ATOM 559 N TYR A 685 14.483 -36.450 8.919 1.00 18.46 N ATOM 560 CA TYR A 685 14.698 -37.440 7.860 1.00 19.63 C ATOM 561 C TYR A 685 13.605 -37.393 6.799 1.00 19.37 C ATOM 562 O TYR A 685 13.263 -38.416 6.202 1.00 23.34 O ATOM 563 CB TYR A 685 14.857 -38.865 8.405 1.00 20.43 C ATOM 564 CG TYR A 685 15.963 -39.030 9.420 1.00 24.36 C ATOM 565 CD1 TYR A 685 17.279 -39.217 9.021 1.00 30.40 C ATOM 566 CD2 TYR A 685 15.684 -39.033 10.783 1.00 32.23 C ATOM 567 CE1 TYR A 685 18.291 -39.387 9.952 1.00 34.52 C ATOM 568 CE2 TYR A 685 16.689 -39.200 11.718 1.00 37.35 C ATOM 569 CZ TYR A 685 17.990 -39.377 11.297 1.00 38.47 C ATOM 570 OH TYR A 685 18.994 -39.544 12.226 1.00 40.20 O ATOM 571 HH TYR A 685 19.859 -39.657 11.758 1.00 0.00 H ATOM 572 H TYR A 685 15.187 -35.694 9.040 1.00 0.00 H ATOM 573 N ARG A 686 13.048 -36.212 6.550 1.00 18.95 N ATOM 574 CA ARG A 686 12.024 -36.067 5.528 1.00 18.96 C ATOM 575 C ARG A 686 12.599 -35.851 4.139 1.00 16.99 C ATOM 576 O ARG A 686 11.873 -36.031 3.153 1.00 18.77 O ATOM 577 CB ARG A 686 11.045 -34.941 5.894 1.00 22.29 C ATOM 578 CG ARG A 686 10.290 -35.225 7.191 1.00 26.82 C ATOM 579 CD ARG A 686 9.144 -34.252 7.429 1.00 33.40 C ATOM 580 NE ARG A 686 8.451 -34.553 8.679 1.00 38.08 N ATOM 581 CZ ARG A 686 8.557 -33.830 9.790 1.00 39.93 C ATOM 582 NH1 ARG A 686 9.319 -32.744 9.811 1.00 31.95 N ATOM 583 NH2 ARG A 686 7.891 -34.188 10.880 1.00 42.67 N ATOM 584 HE ARG A 686 7.833 -35.389 8.702 1.00 0.00 H ATOM 585 HH12 ARG A 686 9.399 -32.182 10.682 1.00 0.00 H ATOM 586 HH11 ARG A 686 9.836 -32.455 8.956 1.00 0.00 H ATOM 587 HH22 ARG A 686 7.974 -33.623 11.749 1.00 0.00 H ATOM 588 HH21 ARG A 686 7.286 -35.034 10.865 1.00 0.00 H ATOM 589 H ARG A 686 13.349 -35.379 7.095 1.00 0.00 H ATOM 590 N TYR A 687 13.884 -35.504 4.034 1.00 15.74 N ATOM 591 CA TYR A 687 14.560 -35.291 2.756 1.00 14.63 C ATOM 592 C TYR A 687 15.531 -36.446 2.538 1.00 13.95 C ATOM 593 O TYR A 687 16.594 -36.504 3.171 1.00 17.42 O ATOM 594 CB TYR A 687 15.331 -33.976 2.746 1.00 16.25 C ATOM 595 CG TYR A 687 14.525 -32.723 2.996 1.00 14.20 C ATOM 596 CD1 TYR A 687 13.225 -32.587 2.536 1.00 18.72 C ATOM 597 CD2 TYR A 687 15.083 -31.672 3.696 1.00 15.59 C ATOM 598 CE1 TYR A 687 12.502 -31.423 2.767 1.00 17.27 C ATOM 599 CE2 TYR A 687 14.383 -30.512 3.927 1.00 15.05 C ATOM 600 CZ TYR A 687 13.101 -30.389 3.463 1.00 15.60 C ATOM 601 OH TYR A 687 12.414 -29.213 3.714 1.00 16.28 O ATOM 602 HH TYR A 687 11.507 -29.271 3.320 1.00 0.00 H ATOM 603 H TYR A 687 14.433 -35.379 4.908 1.00 0.00 H ATOM 604 N LEU A 688 15.182 -37.348 1.631 1.00 14.34 N ATOM 605 CA LEU A 688 16.010 -38.514 1.348 1.00 15.00 C ATOM 606 C LEU A 688 16.571 -38.513 -0.063 1.00 15.45 C ATOM 607 O LEU A 688 17.283 -39.454 -0.440 1.00 18.22 O ATOM 608 CB LEU A 688 15.238 -39.811 1.626 1.00 17.18 C ATOM 609 CG LEU A 688 14.791 -39.954 3.088 1.00 16.95 C ATOM 610 CD1 LEU A 688 14.000 -41.231 3.296 1.00 19.98 C ATOM 611 CD2 LEU A 688 15.972 -39.905 4.045 1.00 17.89 C ATOM 612 H LEU A 688 14.293 -37.220 1.107 1.00 0.00 H ATOM 613 N ASN A 689 16.257 -37.501 -0.856 1.00 14.99 N ATOM 614 CA ASN A 689 16.865 -37.321 -2.163 1.00 15.04 C ATOM 615 C ASN A 689 16.945 -35.826 -2.411 1.00 14.51 C ATOM 616 O ASN A 689 16.340 -35.022 -1.695 1.00 13.58 O ATOM 617 CB ASN A 689 16.107 -38.068 -3.269 1.00 15.54 C ATOM 618 CG ASN A 689 14.621 -37.738 -3.281 1.00 14.82 C ATOM 619 OD1 ASN A 689 14.236 -36.579 -3.487 1.00 15.34 O ATOM 620 ND2 ASN A 689 13.782 -38.749 -3.052 1.00 17.93 N ATOM 621 HD22 ASN A 689 14.154 -39.706 -2.884 1.00 0.00 H ATOM 622 HD21 ASN A 689 12.756 -38.581 -3.041 1.00 0.00 H ATOM 623 H ASN A 689 15.550 -36.810 -0.532 1.00 0.00 H ATOM 624 N PHE A 690 17.730 -35.447 -3.414 1.00 15.08 N ATOM 625 CA PHE A 690 17.960 -34.025 -3.578 1.00 14.48 C ATOM 626 C PHE A 690 16.689 -33.298 -3.995 1.00 13.28 C ATOM 627 O PHE A 690 16.462 -32.158 -3.566 1.00 14.32 O ATOM 628 CB PHE A 690 19.102 -33.752 -4.551 1.00 16.25 C ATOM 629 CG PHE A 690 19.789 -32.461 -4.271 1.00 15.88 C ATOM 630 CD1 PHE A 690 20.824 -32.397 -3.348 1.00 18.53 C ATOM 631 CD2 PHE A 690 19.354 -31.286 -4.866 1.00 15.75 C ATOM 632 CE1 PHE A 690 21.438 -31.184 -3.051 1.00 17.58 C ATOM 633 CE2 PHE A 690 19.966 -30.072 -4.587 1.00 16.77 C ATOM 634 CZ PHE A 690 21.006 -30.026 -3.668 1.00 18.29 C ATOM 635 H PHE A 690 18.162 -36.142 -4.055 1.00 0.00 H ATOM 636 N ASP A 691 15.832 -33.945 -4.789 1.00 13.64 N ATOM 637 CA ASP A 691 14.566 -33.331 -5.193 1.00 14.88 C ATOM 638 C ASP A 691 13.704 -32.951 -3.988 1.00 13.84 C ATOM 639 O ASP A 691 13.053 -31.897 -4.003 1.00 15.87 O ATOM 640 CB ASP A 691 13.763 -34.272 -6.092 1.00 17.44 C ATOM 641 CG ASP A 691 14.170 -34.219 -7.560 1.00 23.53 C ATOM 642 OD1 ASP A 691 15.185 -33.586 -7.908 1.00 22.84 O ATOM 643 OD2 ASP A 691 13.450 -34.833 -8.381 1.00 27.89 O ATOM 644 H ASP A 691 16.068 -34.900 -5.126 1.00 0.00 H ATOM 645 N ASP A 692 13.654 -33.803 -2.953 1.00 13.62 N ATOM 646 CA ASP A 692 12.882 -33.498 -1.742 1.00 16.01 C ATOM 647 C ASP A 692 13.312 -32.150 -1.182 1.00 13.44 C ATOM 648 O ASP A 692 12.484 -31.311 -0.807 1.00 14.99 O ATOM 649 CB ASP A 692 13.150 -34.546 -0.643 1.00 15.86 C ATOM 650 CG ASP A 692 12.513 -35.907 -0.893 1.00 17.50 C ATOM 651 OD1 ASP A 692 11.523 -36.017 -1.642 1.00 16.80 O ATOM 652 OD2 ASP A 692 12.996 -36.892 -0.289 1.00 17.50 O ATOM 653 H ASP A 692 14.175 -34.701 -3.010 1.00 0.00 H ATOM 654 N PHE A 693 14.623 -31.943 -1.107 1.00 11.89 N ATOM 655 CA PHE A 693 15.191 -30.735 -0.528 1.00 12.38 C ATOM 656 C PHE A 693 14.964 -29.536 -1.439 1.00 13.36 C ATOM 657 O PHE A 693 14.505 -28.474 -0.990 1.00 13.29 O ATOM 658 CB PHE A 693 16.682 -31.017 -0.354 1.00 13.25 C ATOM 659 CG PHE A 693 17.480 -29.894 0.229 1.00 13.32 C ATOM 660 CD1 PHE A 693 17.525 -29.694 1.596 1.00 14.04 C ATOM 661 CD2 PHE A 693 18.235 -29.075 -0.589 1.00 15.50 C ATOM 662 CE1 PHE A 693 18.292 -28.685 2.145 1.00 15.12 C ATOM 663 CE2 PHE A 693 19.003 -28.053 -0.042 1.00 16.72 C ATOM 664 CZ PHE A 693 19.029 -27.861 1.322 1.00 16.46 C ATOM 665 H PHE A 693 15.267 -32.672 -1.476 1.00 0.00 H ATOM 666 N GLU A 694 15.258 -29.694 -2.733 1.00 12.82 N ATOM 667 CA GLU A 694 15.124 -28.578 -3.657 1.00 13.52 C ATOM 668 C GLU A 694 13.672 -28.155 -3.820 1.00 15.34 C ATOM 669 O GLU A 694 13.401 -26.967 -4.042 1.00 15.31 O ATOM 670 CB GLU A 694 15.804 -28.907 -4.989 1.00 15.62 C ATOM 671 CG GLU A 694 15.883 -27.718 -5.950 1.00 17.85 C ATOM 672 CD GLU A 694 16.955 -27.865 -7.021 1.00 26.66 C ATOM 673 OE1 GLU A 694 17.757 -28.823 -6.952 1.00 25.92 O ATOM 674 OE2 GLU A 694 17.000 -27.009 -7.938 1.00 31.39 O ATOM 675 H GLU A 694 15.584 -30.618 -3.081 1.00 0.00 H ATOM 676 N GLU A 695 12.724 -29.087 -3.695 1.00 14.95 N ATOM 677 CA GLU A 695 11.312 -28.723 -3.782 1.00 16.18 C ATOM 678 C GLU A 695 10.942 -27.694 -2.723 1.00 15.26 C ATOM 679 O GLU A 695 10.216 -26.732 -3.009 1.00 15.18 O ATOM 680 CB GLU A 695 10.434 -29.968 -3.641 1.00 17.56 C ATOM 681 CG GLU A 695 8.933 -29.671 -3.688 1.00 24.48 C ATOM 682 CD GLU A 695 8.091 -30.924 -3.564 1.00 38.02 C ATOM 683 OE1 GLU A 695 7.774 -31.315 -2.420 1.00 38.56 O ATOM 684 OE2 GLU A 695 7.760 -31.520 -4.610 1.00 46.04 O ATOM 685 H GLU A 695 12.993 -30.079 -3.535 1.00 0.00 H ATOM 686 N ASP A 696 11.416 -27.875 -1.493 1.00 14.30 N ATOM 687 CA ASP A 696 11.064 -26.921 -0.449 1.00 15.39 C ATOM 688 C ASP A 696 11.795 -25.599 -0.640 1.00 14.29 C ATOM 689 O ASP A 696 11.229 -24.531 -0.379 1.00 14.20 O ATOM 690 CB ASP A 696 11.285 -27.515 0.947 1.00 16.18 C ATOM 691 CG ASP A 696 10.099 -28.334 1.425 1.00 18.67 C ATOM 692 OD1 ASP A 696 9.024 -28.242 0.795 1.00 19.88 O ATOM 693 OD2 ASP A 696 10.241 -29.049 2.439 1.00 17.83 O ATOM 694 H ASP A 696 12.030 -28.687 -1.279 1.00 0.00 H ATOM 695 N PHE A 697 13.045 -25.639 -1.106 1.00 12.76 N ATOM 696 CA PHE A 697 13.706 -24.393 -1.475 1.00 12.61 C ATOM 697 C PHE A 697 12.896 -23.646 -2.528 1.00 12.72 C ATOM 698 O PHE A 697 12.701 -22.423 -2.439 1.00 12.70 O ATOM 699 CB PHE A 697 15.119 -24.666 -1.988 1.00 12.84 C ATOM 700 CG PHE A 697 15.779 -23.450 -2.569 1.00 12.89 C ATOM 701 CD1 PHE A 697 16.388 -22.516 -1.745 1.00 14.22 C ATOM 702 CD2 PHE A 697 15.757 -23.219 -3.934 1.00 15.73 C ATOM 703 CE1 PHE A 697 16.985 -21.377 -2.279 1.00 16.76 C ATOM 704 CE2 PHE A 697 16.350 -22.076 -4.469 1.00 16.47 C ATOM 705 CZ PHE A 697 16.970 -21.179 -3.641 1.00 15.24 C ATOM 706 H PHE A 697 13.541 -26.548 -1.205 1.00 0.00 H ATOM 707 N ASN A 698 12.429 -24.362 -3.551 1.00 12.78 N ATOM 708 CA ASN A 698 11.683 -23.706 -4.617 1.00 13.18 C ATOM 709 C ASN A 698 10.388 -23.109 -4.097 1.00 13.77 C ATOM 710 O ASN A 698 9.924 -22.085 -4.620 1.00 14.88 O ATOM 711 CB ASN A 698 11.408 -24.676 -5.764 1.00 14.14 C ATOM 712 CG ASN A 698 12.639 -24.989 -6.568 1.00 14.85 C ATOM 713 OD1 ASN A 698 13.610 -24.244 -6.567 1.00 17.46 O ATOM 714 ND2 ASN A 698 12.609 -26.116 -7.255 1.00 17.03 N ATOM 715 HD22 ASN A 698 11.762 -26.720 -7.227 1.00 0.00 H ATOM 716 HD21 ASN A 698 13.432 -26.400 -7.824 1.00 0.00 H ATOM 717 H ASN A 698 12.597 -25.388 -3.588 1.00 0.00 H ATOM 718 N LEU A 699 9.802 -23.709 -3.061 1.00 13.51 N ATOM 719 CA LEU A 699 8.607 -23.148 -2.444 1.00 15.99 C ATOM 720 C LEU A 699 8.908 -21.821 -1.768 1.00 14.97 C ATOM 721 O LEU A 699 8.109 -20.883 -1.863 1.00 15.92 O ATOM 722 CB LEU A 699 8.064 -24.120 -1.410 1.00 17.98 C ATOM 723 CG LEU A 699 6.994 -25.107 -1.833 1.00 25.48 C ATOM 724 CD1 LEU A 699 6.640 -25.939 -0.616 1.00 23.16 C ATOM 725 CD2 LEU A 699 5.771 -24.365 -2.363 1.00 27.00 C ATOM 726 H LEU A 699 10.204 -24.592 -2.687 1.00 0.00 H ATOM 727 N ILE A 700 10.039 -21.723 -1.065 1.00 13.09 N ATOM 728 CA ILE A 700 10.423 -20.448 -0.463 1.00 13.59 C ATOM 729 C ILE A 700 10.428 -19.359 -1.524 1.00 13.57 C ATOM 730 O ILE A 700 9.844 -18.280 -1.344 1.00 14.62 O ATOM 731 CB ILE A 700 11.800 -20.564 0.214 1.00 13.16 C ATOM 732 CG1 ILE A 700 11.726 -21.551 1.384 1.00 14.57 C ATOM 733 CG2 ILE A 700 12.292 -19.196 0.685 1.00 14.36 C ATOM 734 CD1 ILE A 700 13.052 -21.794 2.087 1.00 15.14 C ATOM 735 H ILE A 700 10.649 -22.557 -0.945 1.00 0.00 H ATOM 736 N VAL A 701 11.086 -19.635 -2.653 1.00 12.19 N ATOM 737 CA VAL A 701 11.203 -18.659 -3.733 1.00 12.26 C ATOM 738 C VAL A 701 9.843 -18.373 -4.352 1.00 12.94 C ATOM 739 O VAL A 701 9.431 -17.212 -4.473 1.00 12.98 O ATOM 740 CB VAL A 701 12.196 -19.157 -4.801 1.00 11.91 C ATOM 741 CG1 VAL A 701 12.122 -18.293 -6.050 1.00 15.53 C ATOM 742 CG2 VAL A 701 13.615 -19.237 -4.240 1.00 14.79 C ATOM 743 H VAL A 701 11.527 -20.570 -2.766 1.00 0.00 H ATOM 744 N SER A 702 9.130 -19.417 -4.773 1.00 12.16 N ATOM 745 CA SER A 702 7.902 -19.204 -5.532 1.00 12.44 C ATOM 746 C SER A 702 6.818 -18.548 -4.686 1.00 14.32 C ATOM 747 O SER A 702 6.045 -17.725 -5.196 1.00 13.97 O ATOM 748 CB SER A 702 7.405 -20.516 -6.141 1.00 13.68 C ATOM 749 OG SER A 702 6.995 -21.433 -5.141 1.00 15.87 O ATOM 750 HG SER A 702 6.680 -22.268 -5.570 1.00 0.00 H ATOM 751 H SER A 702 9.449 -20.384 -4.561 1.00 0.00 H ATOM 752 N ASN A 703 6.729 -18.906 -3.400 1.00 13.21 N ATOM 753 CA ASN A 703 5.727 -18.271 -2.551 1.00 14.29 C ATOM 754 C ASN A 703 5.976 -16.775 -2.473 1.00 12.84 C ATOM 755 O ASN A 703 5.029 -15.975 -2.476 1.00 13.81 O ATOM 756 CB ASN A 703 5.791 -18.833 -1.135 1.00 14.47 C ATOM 757 CG ASN A 703 5.255 -20.236 -1.014 1.00 15.32 C ATOM 758 OD1 ASN A 703 4.579 -20.764 -1.903 1.00 16.22 O ATOM 759 ND2 ASN A 703 5.541 -20.846 0.124 1.00 16.31 N ATOM 760 HD22 ASN A 703 6.114 -20.361 0.844 1.00 0.00 H ATOM 761 HD21 ASN A 703 5.193 -21.810 0.299 1.00 0.00 H ATOM 762 H ASN A 703 7.367 -19.629 -3.010 1.00 0.00 H ATOM 763 N CYS A 704 7.249 -16.381 -2.393 1.00 12.18 N ATOM 764 CA CYS A 704 7.596 -14.977 -2.225 1.00 12.26 C ATOM 765 C CYS A 704 7.342 -14.188 -3.503 1.00 12.37 C ATOM 766 O CYS A 704 6.842 -13.055 -3.449 1.00 13.39 O ATOM 767 CB CYS A 704 9.055 -14.882 -1.785 1.00 12.37 C ATOM 768 SG CYS A 704 9.613 -13.219 -1.381 1.00 13.64 S ATOM 769 H CYS A 704 8.007 -17.090 -2.452 1.00 0.00 H ATOM 770 N LEU A 705 7.670 -14.767 -4.661 1.00 12.29 N ATOM 771 CA LEU A 705 7.329 -14.144 -5.935 1.00 13.16 C ATOM 772 C LEU A 705 5.822 -14.005 -6.085 1.00 13.67 C ATOM 773 O LEU A 705 5.325 -13.001 -6.609 1.00 14.42 O ATOM 774 CB LEU A 705 7.887 -14.982 -7.089 1.00 12.70 C ATOM 775 CG LEU A 705 9.406 -15.171 -7.146 1.00 11.29 C ATOM 776 CD1 LEU A 705 9.769 -16.161 -8.241 1.00 15.17 C ATOM 777 CD2 LEU A 705 10.108 -13.838 -7.369 1.00 13.90 C ATOM 778 H LEU A 705 8.176 -15.676 -4.654 1.00 0.00 H ATOM 779 N LYS A 706 5.075 -15.018 -5.654 1.00 13.79 N ATOM 780 CA LYS A 706 3.628 -14.986 -5.815 1.00 15.20 C ATOM 781 C LYS A 706 2.999 -13.921 -4.927 1.00 15.06 C ATOM 782 O LYS A 706 2.160 -13.134 -5.384 1.00 16.77 O ATOM 783 CB LYS A 706 3.039 -16.363 -5.508 1.00 15.98 C ATOM 784 CG LYS A 706 1.527 -16.424 -5.634 1.00 23.49 C ATOM 785 CD LYS A 706 1.009 -17.861 -5.579 1.00 23.92 C ATOM 786 CE LYS A 706 1.269 -18.623 -6.879 1.00 41.05 C ATOM 787 NZ LYS A 706 2.647 -19.191 -6.968 1.00 45.36 N ATOM 788 HZ1 LYS A 706 3.343 -18.420 -6.913 1.00 0.00 H ATOM 789 HZ2 LYS A 706 2.799 -19.854 -6.181 1.00 0.00 H ATOM 790 HZ3 LYS A 706 2.756 -19.694 -7.872 1.00 0.00 H ATOM 791 H LYS A 706 5.527 -15.837 -5.200 1.00 0.00 H ATOM 792 N TYR A 707 3.399 -13.874 -3.657 1.00 13.90 N ATOM 793 CA TYR A 707 2.711 -13.011 -2.704 1.00 15.88 C ATOM 794 C TYR A 707 3.055 -11.537 -2.888 1.00 15.76 C ATOM 795 O TYR A 707 2.178 -10.675 -2.753 1.00 17.17 O ATOM 796 CB TYR A 707 2.985 -13.454 -1.266 1.00 15.71 C ATOM 797 CG TYR A 707 2.201 -12.615 -0.302 1.00 16.10 C ATOM 798 CD1 TYR A 707 0.835 -12.797 -0.153 1.00 19.64 C ATOM 799 CD2 TYR A 707 2.807 -11.584 0.403 1.00 18.51 C ATOM 800 CE1 TYR A 707 0.099 -12.001 0.701 1.00 20.37 C ATOM 801 CE2 TYR A 707 2.077 -10.785 1.258 1.00 21.86 C ATOM 802 CZ TYR A 707 0.727 -11.001 1.399 1.00 20.19 C ATOM 803 OH TYR A 707 -0.003 -10.195 2.242 1.00 23.67 O ATOM 804 HH TYR A 707 -0.951 -10.480 2.230 1.00 0.00 H ATOM 805 H TYR A 707 4.204 -14.454 -3.345 1.00 0.00 H ATOM 806 N ASN A 708 4.313 -11.222 -3.178 1.00 14.37 N ATOM 807 CA ASN A 708 4.804 -9.851 -3.124 1.00 14.62 C ATOM 808 C ASN A 708 4.813 -9.204 -4.499 1.00 14.24 C ATOM 809 O ASN A 708 5.070 -9.867 -5.508 1.00 15.07 O ATOM 810 CB ASN A 708 6.205 -9.824 -2.524 1.00 13.17 C ATOM 811 CG ASN A 708 6.210 -10.284 -1.095 1.00 15.30 C ATOM 812 OD1 ASN A 708 5.768 -9.563 -0.204 1.00 17.50 O ATOM 813 ND2 ASN A 708 6.673 -11.502 -0.860 1.00 15.53 N ATOM 814 HD22 ASN A 708 7.039 -12.080 -1.644 1.00 0.00 H ATOM 815 HD21 ASN A 708 6.671 -11.881 0.108 1.00 0.00 H ATOM 816 H ASN A 708 4.970 -11.980 -3.453 1.00 0.00 H ATOM 817 N ALA A 709 4.528 -7.903 -4.535 1.00 14.81 N ATOM 818 CA ALA A 709 4.538 -7.170 -5.791 1.00 15.52 C ATOM 819 C ALA A 709 5.957 -7.096 -6.339 1.00 13.74 C ATOM 820 O ALA A 709 6.936 -7.101 -5.588 1.00 14.51 O ATOM 821 CB ALA A 709 3.956 -5.764 -5.600 1.00 15.61 C ATOM 822 H ALA A 709 4.295 -7.405 -3.652 1.00 0.00 H ATOM 823 N LYS A 710 6.059 -7.004 -7.668 1.00 14.91 N ATOM 824 CA LYS A 710 7.364 -7.008 -8.320 1.00 17.76 C ATOM 825 C LYS A 710 8.235 -5.854 -7.866 1.00 20.47 C ATOM 826 O LYS A 710 9.464 -5.976 -7.852 1.00 23.87 O ATOM 827 CB LYS A 710 7.203 -6.951 -9.838 1.00 19.53 C ATOM 828 CG LYS A 710 6.673 -8.226 -10.434 1.00 21.34 C ATOM 829 CD LYS A 710 6.637 -8.173 -11.957 1.00 22.19 C ATOM 830 CE LYS A 710 7.957 -8.623 -12.541 1.00 20.12 C ATOM 831 NZ LYS A 710 8.052 -8.389 -13.998 1.00 17.31 N ATOM 832 HZ1 LYS A 710 7.296 -8.914 -14.482 1.00 0.00 H ATOM 833 HZ2 LYS A 710 7.949 -7.372 -14.192 1.00 0.00 H ATOM 834 HZ3 LYS A 710 8.977 -8.717 -14.341 1.00 0.00 H ATOM 835 H LYS A 710 5.197 -6.929 -8.245 1.00 0.00 H ATOM 836 N ASP A 711 7.633 -4.733 -7.498 1.00 19.73 N ATOM 837 CA ASP A 711 8.413 -3.558 -7.149 1.00 20.00 C ATOM 838 C ASP A 711 8.895 -3.554 -5.707 1.00 19.13 C ATOM 839 O ASP A 711 9.237 -2.489 -5.220 1.00 20.05 O ATOM 840 CB ASP A 711 7.634 -2.278 -7.478 1.00 24.44 C ATOM 841 CG ASP A 711 6.448 -2.041 -6.549 1.00 33.70 C ATOM 842 OD1 ASP A 711 5.979 -2.987 -5.884 1.00 34.10 O ATOM 843 OD2 ASP A 711 5.974 -0.885 -6.491 1.00 46.57 O ATOM 844 H ASP A 711 6.594 -4.694 -7.459 1.00 0.00 H ATOM 845 N THR A 712 8.957 -4.688 -5.021 1.00 19.54 N ATOM 846 CA THR A 712 9.335 -4.729 -3.616 1.00 15.91 C ATOM 847 C THR A 712 10.708 -5.357 -3.431 1.00 16.53 C ATOM 848 O THR A 712 11.172 -6.153 -4.252 1.00 16.42 O ATOM 849 CB THR A 712 8.319 -5.520 -2.787 1.00 15.36 C ATOM 850 OG1 THR A 712 8.299 -6.889 -3.225 1.00 15.79 O ATOM 851 CG2 THR A 712 6.924 -4.905 -2.917 1.00 18.90 C ATOM 852 HG1 THR A 712 8.043 -6.925 -4.181 1.00 0.00 H ATOM 853 H THR A 712 8.727 -5.580 -5.505 1.00 0.00 H ATOM 854 N ILE A 713 11.337 -5.016 -2.309 1.00 14.95 N ATOM 855 CA ILE A 713 12.566 -5.690 -1.911 1.00 17.11 C ATOM 856 C ILE A 713 12.330 -7.187 -1.763 1.00 15.02 C ATOM 857 O ILE A 713 13.164 -8.000 -2.178 1.00 14.26 O ATOM 858 CB ILE A 713 13.134 -5.063 -0.624 1.00 17.14 C ATOM 859 CG1 ILE A 713 13.637 -3.639 -0.892 1.00 23.27 C ATOM 860 CG2 ILE A 713 14.233 -5.947 -0.030 1.00 19.95 C ATOM 861 CD1 ILE A 713 14.924 -3.574 -1.680 1.00 27.03 C ATOM 862 H ILE A 713 10.947 -4.260 -1.710 1.00 0.00 H ATOM 863 N PHE A 714 11.195 -7.582 -1.177 1.00 13.33 N ATOM 864 CA PHE A 714 10.944 -9.003 -0.947 1.00 13.46 C ATOM 865 C PHE A 714 10.930 -9.779 -2.258 1.00 12.69 C ATOM 866 O PHE A 714 11.527 -10.856 -2.362 1.00 12.71 O ATOM 867 CB PHE A 714 9.613 -9.201 -0.217 1.00 16.32 C ATOM 868 CG PHE A 714 9.650 -8.855 1.244 1.00 16.71 C ATOM 869 CD1 PHE A 714 10.845 -8.583 1.893 1.00 21.32 C ATOM 870 CD2 PHE A 714 8.474 -8.810 1.971 1.00 23.23 C ATOM 871 CE1 PHE A 714 10.858 -8.272 3.244 1.00 25.63 C ATOM 872 CE2 PHE A 714 8.481 -8.497 3.323 1.00 25.92 C ATOM 873 CZ PHE A 714 9.673 -8.235 3.956 1.00 26.39 C ATOM 874 H PHE A 714 10.489 -6.876 -0.884 1.00 0.00 H ATOM 875 N TYR A 715 10.238 -9.255 -3.273 1.00 12.83 N ATOM 876 CA TYR A 715 10.195 -9.946 -4.557 1.00 12.32 C ATOM 877 C TYR A 715 11.594 -10.075 -5.137 1.00 12.58 C ATOM 878 O TYR A 715 12.001 -11.156 -5.577 1.00 12.70 O ATOM 879 CB TYR A 715 9.270 -9.198 -5.517 1.00 13.35 C ATOM 880 CG TYR A 715 9.046 -9.905 -6.841 1.00 12.09 C ATOM 881 CD1 TYR A 715 9.965 -9.792 -7.884 1.00 13.31 C ATOM 882 CD2 TYR A 715 7.907 -10.656 -7.061 1.00 12.05 C ATOM 883 CE1 TYR A 715 9.765 -10.422 -9.096 1.00 12.29 C ATOM 884 CE2 TYR A 715 7.695 -11.285 -8.263 1.00 12.34 C ATOM 885 CZ TYR A 715 8.620 -11.172 -9.283 1.00 11.00 C ATOM 886 OH TYR A 715 8.402 -11.803 -10.477 1.00 13.76 O ATOM 887 HH TYR A 715 9.157 -11.618 -11.090 1.00 0.00 H ATOM 888 H TYR A 715 9.731 -8.356 -3.148 1.00 0.00 H ATOM 889 N ARG A 716 12.364 -8.986 -5.120 1.00 12.93 N ATOM 890 CA ARG A 716 13.695 -9.045 -5.710 1.00 14.00 C ATOM 891 C ARG A 716 14.630 -9.937 -4.901 1.00 13.49 C ATOM 892 O ARG A 716 15.550 -10.538 -5.469 1.00 14.18 O ATOM 893 CB ARG A 716 14.265 -7.637 -5.900 1.00 13.88 C ATOM 894 CG ARG A 716 15.547 -7.589 -6.721 1.00 19.04 C ATOM 895 CD ARG A 716 15.335 -8.071 -8.154 1.00 24.04 C ATOM 896 NE ARG A 716 16.586 -8.565 -8.725 1.00 26.67 N ATOM 897 CZ ARG A 716 16.735 -8.962 -9.984 1.00 28.32 C ATOM 898 NH1 ARG A 716 17.915 -9.400 -10.406 1.00 26.11 N ATOM 899 NH2 ARG A 716 15.705 -8.929 -10.817 1.00 32.20 N ATOM 900 HE ARG A 716 17.418 -8.609 -8.102 1.00 0.00 H ATOM 901 HH12 ARG A 716 18.032 -9.711 -11.391 1.00 0.00 H ATOM 902 HH11 ARG A 716 18.722 -9.432 -9.751 1.00 0.00 H ATOM 903 HH22 ARG A 716 15.823 -9.240 -11.802 1.00 0.00 H ATOM 904 HH21 ARG A 716 14.779 -8.592 -10.485 1.00 0.00 H ATOM 905 H ARG A 716 12.018 -8.104 -4.690 1.00 0.00 H ATOM 906 N ALA A 717 14.402 -10.049 -3.588 1.00 12.35 N ATOM 907 CA ALA A 717 15.190 -10.960 -2.768 1.00 13.17 C ATOM 908 C ALA A 717 14.932 -12.409 -3.149 1.00 12.94 C ATOM 909 O ALA A 717 15.853 -13.235 -3.105 1.00 13.11 O ATOM 910 CB ALA A 717 14.901 -10.731 -1.284 1.00 15.60 C ATOM 911 H ALA A 717 13.653 -9.479 -3.147 1.00 0.00 H ATOM 912 N ALA A 718 13.703 -12.740 -3.541 1.00 11.96 N ATOM 913 CA ALA A 718 13.423 -14.089 -4.027 1.00 12.63 C ATOM 914 C ALA A 718 14.104 -14.338 -5.365 1.00 10.98 C ATOM 915 O ALA A 718 14.639 -15.431 -5.602 1.00 12.17 O ATOM 916 CB ALA A 718 11.916 -14.311 -4.134 1.00 13.73 C ATOM 917 H ALA A 718 12.939 -12.035 -3.501 1.00 0.00 H ATOM 918 N VAL A 719 14.111 -13.345 -6.253 1.00 11.51 N ATOM 919 CA VAL A 719 14.827 -13.498 -7.516 1.00 12.82 C ATOM 920 C VAL A 719 16.309 -13.741 -7.253 1.00 12.26 C ATOM 921 O VAL A 719 16.933 -14.636 -7.843 1.00 13.21 O ATOM 922 CB VAL A 719 14.608 -12.268 -8.414 1.00 12.18 C ATOM 923 CG1 VAL A 719 15.481 -12.361 -9.665 1.00 15.57 C ATOM 924 CG2 VAL A 719 13.149 -12.141 -8.809 1.00 13.38 C ATOM 925 H VAL A 719 13.606 -12.460 -6.046 1.00 0.00 H ATOM 926 N ARG A 720 16.900 -12.937 -6.363 1.00 12.42 N ATOM 927 CA ARG A 720 18.315 -13.072 -6.049 1.00 12.35 C ATOM 928 C ARG A 720 18.598 -14.430 -5.432 1.00 13.01 C ATOM 929 O ARG A 720 19.604 -15.069 -5.760 1.00 13.86 O ATOM 930 CB ARG A 720 18.751 -11.956 -5.097 1.00 14.08 C ATOM 931 CG ARG A 720 20.262 -11.956 -4.813 1.00 16.37 C ATOM 932 CD ARG A 720 20.705 -10.859 -3.839 1.00 16.95 C ATOM 933 NE ARG A 720 20.185 -11.076 -2.493 1.00 16.88 N ATOM 934 CZ ARG A 720 20.519 -10.340 -1.439 1.00 16.70 C ATOM 935 NH1 ARG A 720 21.375 -9.342 -1.576 1.00 18.32 N ATOM 936 NH2 ARG A 720 19.995 -10.604 -0.249 1.00 18.63 N ATOM 937 HE ARG A 720 19.511 -11.855 -2.350 1.00 0.00 H ATOM 938 HH12 ARG A 720 21.637 -8.765 -0.751 1.00 0.00 H ATOM 939 HH11 ARG A 720 21.786 -9.134 -2.508 1.00 0.00 H ATOM 940 HH22 ARG A 720 20.258 -10.026 0.575 1.00 0.00 H ATOM 941 HH21 ARG A 720 19.321 -11.389 -0.140 1.00 0.00 H ATOM 942 H ARG A 720 16.339 -12.202 -5.887 1.00 0.00 H ATOM 943 N LEU A 721 17.726 -14.887 -4.537 1.00 11.91 N ATOM 944 CA LEU A 721 17.913 -16.199 -3.932 1.00 11.50 C ATOM 945 C LEU A 721 17.790 -17.311 -4.970 1.00 13.34 C ATOM 946 O LEU A 721 18.569 -18.275 -4.946 1.00 13.40 O ATOM 947 CB LEU A 721 16.918 -16.396 -2.788 1.00 13.50 C ATOM 948 CG LEU A 721 17.030 -17.738 -2.057 1.00 13.18 C ATOM 949 CD1 LEU A 721 18.380 -17.879 -1.381 1.00 20.52 C ATOM 950 CD2 LEU A 721 15.886 -17.906 -1.077 1.00 16.79 C ATOM 951 H LEU A 721 16.907 -14.305 -4.268 1.00 0.00 H ATOM 952 N ARG A 722 16.829 -17.198 -5.890 1.00 11.81 N ATOM 953 CA ARG A 722 16.703 -18.185 -6.959 1.00 12.80 C ATOM 954 C ARG A 722 17.998 -18.290 -7.748 1.00 13.23 C ATOM 955 O ARG A 722 18.486 -19.398 -8.016 1.00 13.97 O ATOM 956 CB ARG A 722 15.554 -17.792 -7.887 1.00 11.64 C ATOM 957 CG ARG A 722 15.265 -18.845 -8.971 1.00 13.89 C ATOM 958 CD ARG A 722 14.159 -18.395 -9.911 1.00 15.05 C ATOM 959 NE ARG A 722 14.573 -17.222 -10.668 1.00 15.26 N ATOM 960 CZ ARG A 722 13.754 -16.268 -11.099 1.00 15.86 C ATOM 961 NH1 ARG A 722 12.449 -16.346 -10.870 1.00 16.57 N ATOM 962 NH2 ARG A 722 14.240 -15.229 -11.761 1.00 17.75 N ATOM 963 HE ARG A 722 15.585 -17.123 -10.888 1.00 0.00 H ATOM 964 HH12 ARG A 722 11.815 -15.595 -11.211 1.00 0.00 H ATOM 965 HH11 ARG A 722 12.060 -17.158 -10.350 1.00 0.00 H ATOM 966 HH22 ARG A 722 13.600 -14.482 -12.099 1.00 0.00 H ATOM 967 HH21 ARG A 722 15.262 -15.160 -11.943 1.00 0.00 H ATOM 968 H ARG A 722 16.164 -16.400 -5.845 1.00 0.00 H ATOM 969 N GLU A 723 18.577 -17.144 -8.114 1.00 12.53 N ATOM 970 CA GLU A 723 19.795 -17.141 -8.919 1.00 15.01 C ATOM 971 C GLU A 723 20.985 -17.646 -8.110 1.00 19.45 C ATOM 972 O GLU A 723 21.646 -18.626 -8.483 1.00 19.77 O ATOM 973 CB GLU A 723 20.053 -15.727 -9.440 1.00 17.25 C ATOM 974 CG GLU A 723 18.960 -15.179 -10.347 1.00 24.50 C ATOM 975 CD GLU A 723 19.213 -13.740 -10.776 1.00 44.66 C ATOM 976 OE1 GLU A 723 18.630 -13.311 -11.795 1.00 48.19 O ATOM 977 OE2 GLU A 723 19.991 -13.038 -10.094 1.00 53.79 O ATOM 978 H GLU A 723 18.154 -16.240 -7.821 1.00 0.00 H ATOM 979 N GLN A 724 21.256 -17.007 -6.973 1.00 14.58 N ATOM 980 CA GLN A 724 22.441 -17.370 -6.195 1.00 16.36 C ATOM 981 C GLN A 724 22.272 -18.724 -5.515 1.00 18.19 C ATOM 982 O GLN A 724 23.219 -19.522 -5.453 1.00 19.62 O ATOM 983 CB GLN A 724 22.737 -16.276 -5.169 1.00 17.11 C ATOM 984 CG GLN A 724 23.003 -14.917 -5.780 1.00 16.73 C ATOM 985 CD GLN A 724 23.305 -13.845 -4.747 1.00 20.69 C ATOM 986 OE1 GLN A 724 23.059 -14.035 -3.561 1.00 21.54 O ATOM 987 NE2 GLN A 724 23.845 -12.715 -5.193 1.00 22.41 N ATOM 988 HE22 GLN A 724 24.037 -12.596 -6.208 1.00 0.00 H ATOM 989 HE21 GLN A 724 24.075 -11.950 -4.527 1.00 0.00 H ATOM 990 H GLN A 724 20.626 -16.250 -6.638 1.00 0.00 H ATOM 991 N GLY A 725 21.081 -19.001 -4.985 1.00 16.37 N ATOM 992 CA GLY A 725 20.838 -20.295 -4.369 1.00 16.84 C ATOM 993 C GLY A 725 20.792 -21.422 -5.375 1.00 20.84 C ATOM 994 O GLY A 725 21.189 -22.553 -5.066 1.00 18.77 O ATOM 995 H GLY A 725 20.323 -18.289 -5.012 1.00 0.00 H ATOM 996 N GLY A 726 20.322 -21.137 -6.588 1.00 19.68 N ATOM 997 CA GLY A 726 20.371 -22.137 -7.640 1.00 19.06 C ATOM 998 C GLY A 726 21.776 -22.660 -7.877 1.00 21.51 C ATOM 999 O GLY A 726 21.979 -23.866 -8.028 1.00 21.25 O ATOM 1000 H GLY A 726 19.920 -20.198 -6.782 1.00 0.00 H ATOM 1001 N ALA A 727 22.770 -21.763 -7.882 1.00 19.42 N ATOM 1002 CA ALA A 727 24.148 -22.187 -8.124 1.00 17.12 C ATOM 1003 C ALA A 727 24.664 -23.077 -6.994 1.00 19.89 C ATOM 1004 O ALA A 727 25.357 -24.070 -7.244 1.00 21.01 O ATOM 1005 CB ALA A 727 25.041 -20.959 -8.300 1.00 22.21 C ATOM 1006 H ALA A 727 22.561 -20.758 -7.713 1.00 0.00 H ATOM 1007 N VAL A 728 24.352 -22.715 -5.750 1.00 17.75 N ATOM 1008 CA VAL A 728 24.653 -23.568 -4.601 1.00 15.82 C ATOM 1009 C VAL A 728 24.031 -24.952 -4.791 1.00 16.93 C ATOM 1010 O VAL A 728 24.674 -25.987 -4.574 1.00 16.66 O ATOM 1011 CB VAL A 728 24.133 -22.892 -3.319 1.00 16.10 C ATOM 1012 CG1 VAL A 728 24.210 -23.840 -2.133 1.00 17.77 C ATOM 1013 CG2 VAL A 728 24.897 -21.593 -3.043 1.00 17.93 C ATOM 1014 H VAL A 728 23.882 -21.801 -5.592 1.00 0.00 H ATOM 1015 N LEU A 729 22.766 -24.987 -5.215 1.00 16.79 N ATOM 1016 CA LEU A 729 22.034 -26.243 -5.323 1.00 15.79 C ATOM 1017 C LEU A 729 22.596 -27.122 -6.420 1.00 16.15 C ATOM 1018 O LEU A 729 22.646 -28.352 -6.275 1.00 16.63 O ATOM 1019 CB LEU A 729 20.567 -25.947 -5.607 1.00 17.50 C ATOM 1020 CG LEU A 729 19.837 -25.414 -4.391 1.00 20.96 C ATOM 1021 CD1 LEU A 729 18.576 -24.715 -4.837 1.00 23.23 C ATOM 1022 CD2 LEU A 729 19.521 -26.551 -3.444 1.00 24.75 C ATOM 1023 H LEU A 729 22.292 -24.098 -5.474 1.00 0.00 H ATOM 1024 N ARG A 730 23.018 -26.528 -7.529 1.00 17.42 N ATOM 1025 CA ARG A 730 23.519 -27.348 -8.617 1.00 16.85 C ATOM 1026 C ARG A 730 24.828 -28.034 -8.240 1.00 20.65 C ATOM 1027 O ARG A 730 25.031 -29.215 -8.553 1.00 20.20 O ATOM 1028 CB ARG A 730 23.627 -26.525 -9.901 1.00 22.75 C ATOM 1029 CG ARG A 730 22.256 -26.039 -10.394 1.00 23.25 C ATOM 1030 CD ARG A 730 22.331 -25.350 -11.753 1.00 27.56 C ATOM 1031 NE ARG A 730 23.122 -24.120 -11.722 1.00 28.63 N ATOM 1032 CZ ARG A 730 22.629 -22.915 -11.447 1.00 26.30 C ATOM 1033 NH1 ARG A 730 21.341 -22.769 -11.163 1.00 27.44 N ATOM 1034 NH2 ARG A 730 23.429 -21.855 -11.451 1.00 29.06 N ATOM 1035 HE ARG A 730 24.139 -24.192 -11.929 1.00 0.00 H ATOM 1036 HH12 ARG A 730 20.959 -21.826 -10.949 1.00 0.00 H ATOM 1037 HH11 ARG A 730 20.713 -23.598 -11.155 1.00 0.00 H ATOM 1038 HH22 ARG A 730 23.045 -20.913 -11.236 1.00 0.00 H ATOM 1039 HH21 ARG A 730 24.440 -21.967 -11.669 1.00 0.00 H ATOM 1040 H ARG A 730 22.990 -25.492 -7.617 1.00 0.00 H ATOM 1041 N GLN A 731 25.721 -27.326 -7.540 1.00 19.95 N ATOM 1042 CA GLN A 731 26.960 -27.973 -7.118 1.00 19.72 C ATOM 1043 C GLN A 731 26.704 -29.038 -6.054 1.00 17.56 C ATOM 1044 O GLN A 731 27.345 -30.093 -6.063 1.00 18.68 O ATOM 1045 CB GLN A 731 28.002 -26.940 -6.669 1.00 25.48 C ATOM 1046 CG GLN A 731 27.630 -26.077 -5.472 1.00 29.51 C ATOM 1047 CD GLN A 731 27.836 -26.765 -4.123 1.00 31.64 C ATOM 1048 OE1 GLN A 731 27.153 -26.437 -3.147 1.00 27.27 O ATOM 1049 NE2 GLN A 731 28.781 -27.713 -4.061 1.00 28.91 N ATOM 1050 HE22 GLN A 731 29.331 -27.955 -4.910 1.00 0.00 H ATOM 1051 HE21 GLN A 731 28.964 -28.207 -3.164 1.00 0.00 H ATOM 1052 H GLN A 731 25.536 -26.331 -7.300 1.00 0.00 H ATOM 1053 N ALA A 732 25.756 -28.791 -5.144 1.00 16.24 N ATOM 1054 CA ALA A 732 25.457 -29.780 -4.112 1.00 15.56 C ATOM 1055 C ALA A 732 24.830 -31.031 -4.712 1.00 15.36 C ATOM 1056 O ALA A 732 25.161 -32.150 -4.306 1.00 16.77 O ATOM 1057 CB ALA A 732 24.547 -29.173 -3.051 1.00 16.90 C ATOM 1058 H ALA A 732 25.231 -27.894 -5.171 1.00 0.00 H ATOM 1059 N ARG A 733 23.924 -30.865 -5.683 1.00 16.72 N ATOM 1060 CA ARG A 733 23.331 -32.030 -6.327 1.00 17.14 C ATOM 1061 C ARG A 733 24.400 -32.872 -7.007 1.00 17.82 C ATOM 1062 O ARG A 733 24.359 -34.106 -6.948 1.00 18.28 O ATOM 1063 CB ARG A 733 22.263 -31.594 -7.332 1.00 15.86 C ATOM 1064 CG ARG A 733 21.602 -32.767 -8.048 1.00 18.38 C ATOM 1065 CD ARG A 733 20.615 -32.309 -9.113 1.00 19.10 C ATOM 1066 NE ARG A 733 19.421 -31.687 -8.547 1.00 19.54 N ATOM 1067 CZ ARG A 733 18.298 -32.338 -8.270 1.00 19.29 C ATOM 1068 NH1 ARG A 733 18.213 -33.641 -8.485 1.00 19.87 N ATOM 1069 NH2 ARG A 733 17.263 -31.674 -7.770 1.00 20.08 N ATOM 1070 HE ARG A 733 19.453 -30.667 -8.348 1.00 0.00 H ATOM 1071 HH12 ARG A 733 17.331 -34.148 -8.267 1.00 0.00 H ATOM 1072 HH11 ARG A 733 19.028 -34.158 -8.872 1.00 0.00 H ATOM 1073 HH22 ARG A 733 16.380 -32.177 -7.550 1.00 0.00 H ATOM 1074 HH21 ARG A 733 17.336 -30.651 -7.598 1.00 0.00 H ATOM 1075 H ARG A 733 23.644 -29.908 -5.977 1.00 0.00 H ATOM 1076 N ARG A 734 25.375 -32.218 -7.648 1.00 17.32 N ATOM 1077 CA ARG A 734 26.476 -32.941 -8.270 1.00 19.71 C ATOM 1078 C ARG A 734 27.269 -33.742 -7.242 1.00 20.14 C ATOM 1079 O ARG A 734 27.694 -34.869 -7.520 1.00 23.78 O ATOM 1080 CB ARG A 734 27.378 -31.969 -9.032 1.00 22.50 C ATOM 1081 CG ARG A 734 26.727 -31.384 -10.279 1.00 22.64 C ATOM 1082 CD ARG A 734 26.742 -32.407 -11.399 1.00 24.92 C ATOM 1083 NE ARG A 734 26.038 -31.945 -12.591 1.00 26.00 N ATOM 1084 CZ ARG A 734 26.578 -31.171 -13.528 1.00 27.50 C ATOM 1085 NH1 ARG A 734 25.860 -30.810 -14.581 1.00 27.91 N ATOM 1086 NH2 ARG A 734 27.835 -30.761 -13.412 1.00 29.43 N ATOM 1087 HE ARG A 734 25.049 -32.241 -12.716 1.00 0.00 H ATOM 1088 HH12 ARG A 734 26.281 -30.205 -15.315 1.00 0.00 H ATOM 1089 HH11 ARG A 734 24.875 -31.132 -14.674 1.00 0.00 H ATOM 1090 HH22 ARG A 734 28.254 -30.156 -14.146 1.00 0.00 H ATOM 1091 HH21 ARG A 734 28.401 -31.045 -12.587 1.00 0.00 H ATOM 1092 H ARG A 734 25.347 -31.180 -7.703 1.00 0.00 H ATOM 1093 N GLN A 735 27.464 -33.186 -6.040 1.00 18.97 N ATOM 1094 CA GLN A 735 28.124 -33.952 -4.985 1.00 20.86 C ATOM 1095 C GLN A 735 27.300 -35.171 -4.592 1.00 20.05 C ATOM 1096 O GLN A 735 27.849 -36.255 -4.367 1.00 22.99 O ATOM 1097 CB GLN A 735 28.371 -33.076 -3.758 1.00 21.68 C ATOM 1098 CG GLN A 735 29.413 -31.996 -3.935 1.00 27.99 C ATOM 1099 CD GLN A 735 29.703 -31.280 -2.631 1.00 42.12 C ATOM 1100 OE1 GLN A 735 29.534 -30.064 -2.526 1.00 48.50 O ATOM 1101 NE2 GLN A 735 30.133 -32.035 -1.623 1.00 42.98 N ATOM 1102 HE22 GLN A 735 30.261 -33.058 -1.758 1.00 0.00 H ATOM 1103 HE21 GLN A 735 30.341 -31.602 -0.701 1.00 0.00 H ATOM 1104 H GLN A 735 27.147 -32.212 -5.858 1.00 0.00 H ATOM 1105 N ALA A 736 25.978 -35.008 -4.482 1.00 18.90 N ATOM 1106 CA ALA A 736 25.120 -36.139 -4.140 1.00 20.02 C ATOM 1107 C ALA A 736 25.179 -37.220 -5.213 1.00 21.94 C ATOM 1108 O ALA A 736 25.142 -38.420 -4.902 1.00 24.32 O ATOM 1109 CB ALA A 736 23.685 -35.651 -3.934 1.00 19.79 C ATOM 1110 H ALA A 736 25.558 -34.070 -4.641 1.00 0.00 H ATOM 1111 N GLU A 737 25.281 -36.812 -6.483 1.00 22.20 N ATOM 1112 CA GLU A 737 25.372 -37.772 -7.580 1.00 24.86 C ATOM 1113 C GLU A 737 26.668 -38.574 -7.541 1.00 27.86 C ATOM 1114 O GLU A 737 26.711 -39.699 -8.054 1.00 33.23 O ATOM 1115 CB GLU A 737 25.221 -37.048 -8.919 1.00 24.54 C ATOM 1116 CG GLU A 737 23.826 -36.493 -9.139 1.00 24.70 C ATOM 1117 CD GLU A 737 23.737 -35.570 -10.336 1.00 28.50 C ATOM 1118 OE1 GLU A 737 24.728 -35.469 -11.091 1.00 33.39 O ATOM 1119 OE2 GLU A 737 22.671 -34.946 -10.522 1.00 28.44 O ATOM 1120 H GLU A 737 25.296 -35.793 -6.693 1.00 0.00 H ATOM 1121 N LYS A 738 27.732 -38.022 -6.950 1.00 25.35 N ATOM 1122 CA LYS A 738 28.980 -38.759 -6.789 1.00 28.62 C ATOM 1123 C LYS A 738 28.922 -39.782 -5.663 1.00 29.16 C ATOM 1124 O LYS A 738 29.847 -40.593 -5.537 1.00 33.07 O ATOM 1125 CB LYS A 738 30.144 -37.795 -6.543 1.00 31.54 C ATOM 1126 CG LYS A 738 30.502 -36.930 -7.739 1.00 38.54 C ATOM 1127 CD LYS A 738 30.935 -37.776 -8.925 1.00 45.06 C ATOM 1128 H LYS A 738 27.669 -37.046 -6.597 1.00 0.00 H ATOM 1129 N MET A 739 27.875 -39.761 -4.845 1.00 26.69 N ATOM 1130 CA MET A 739 27.703 -40.726 -3.769 1.00 30.31 C ATOM 1131 C MET A 739 27.057 -41.992 -4.318 1.00 38.49 C ATOM 1132 O MET A 739 26.722 -42.903 -3.563 1.00 45.21 O ATOM 1133 CB MET A 739 26.831 -40.132 -2.661 1.00 29.63 C ATOM 1134 CG MET A 739 27.413 -38.893 -1.995 1.00 24.29 C ATOM 1135 SD MET A 739 26.242 -38.091 -0.876 1.00 25.35 S ATOM 1136 CE MET A 739 27.312 -36.858 -0.146 1.00 24.02 C ATOM 1137 H MET A 739 27.151 -39.027 -4.979 1.00 0.00 H TER 1138 MET A 739 HETATM 1139 O HOH 1 20.561 -15.554 6.164 1.00 22.31 O HETATM 1140 O HOH 2 29.124 -29.041 -0.534 1.00 40.15 O HETATM 1141 O HOH 3 16.963 -14.573 -12.748 1.00 39.85 O HETATM 1142 O HOH 4 27.859 -21.823 4.563 1.00 40.12 O HETATM 1143 O HOH 5 8.532 -28.226 11.406 1.00 48.29 O HETATM 1144 O HOH 6 22.891 -28.827 12.413 1.00 48.79 O HETATM 1145 O HOH 7 -7.677 -12.285 3.950 1.00 49.09 O HETATM 1146 O HOH 8 4.680 -10.763 14.635 1.00 55.68 O HETATM 1147 O HOH 9 6.897 -29.344 -0.257 1.00 39.35 O HETATM 1148 O HOH 10 17.428 -22.892 9.341 1.00 31.63 O HETATM 1149 O HOH 11 18.211 -16.795 6.105 1.00 24.23 O HETATM 1150 O HOH 12 23.337 -12.735 -1.377 1.00 25.93 O HETATM 1151 O HOH 13 14.552 -35.096 -10.691 1.00 25.64 O HETATM 1152 O HOH 14 26.833 -24.340 -9.341 1.00 32.95 O HETATM 1153 O HOH 15 21.686 -46.349 -3.690 1.00 45.83 O HETATM 1154 O HOH 16 6.564 -15.565 0.715 1.00 16.87 O HETATM 1155 O HOH 17 25.935 -22.618 -11.582 1.00 48.63 O HETATM 1156 O HOH 18 13.669 -13.431 9.839 1.00 41.11 O HETATM 1157 O HOH 19 30.210 -36.595 -3.273 1.00 38.04 O HETATM 1158 O HOH 20 17.537 -11.957 1.196 1.00 27.11 O HETATM 1159 O HOH 21 5.053 -7.034 0.116 1.00 23.98 O HETATM 1160 O HOH 22 20.151 -28.885 -8.098 1.00 23.43 O HETATM 1161 O HOH 23 4.058 -24.951 5.787 1.00 28.30 O HETATM 1162 O HOH 24 11.100 -36.062 -8.573 1.00 34.60 O HETATM 1163 O HOH 25 16.023 -24.396 -7.682 1.00 31.06 O HETATM 1164 O HOH 26 6.929 -21.450 6.421 1.00 19.72 O HETATM 1165 O HOH 27 26.848 -27.808 -0.387 1.00 21.71 O HETATM 1166 O HOH 28 20.632 -35.387 -12.193 1.00 29.81 O HETATM 1167 O HOH 29 8.051 -29.324 9.375 1.00 40.19 O HETATM 1168 O HOH 30 11.080 -38.201 11.705 1.00 35.41 O HETATM 1169 O HOH 31 14.821 -37.049 13.830 1.00 35.69 O HETATM 1170 O HOH 32 24.259 -19.975 7.051 1.00 36.77 O HETATM 1171 O HOH 33 6.604 -24.578 9.622 1.00 41.59 O HETATM 1172 O HOH 34 7.671 -16.495 12.092 1.00 29.14 O HETATM 1173 O HOH 35 10.366 -0.822 -7.022 1.00 26.20 O HETATM 1174 O HOH 36 -3.378 -21.713 2.015 1.00 35.36 O HETATM 1175 O HOH 37 23.937 -13.985 5.065 1.00 38.48 O HETATM 1176 O HOH 38 6.457 -19.094 2.525 1.00 16.85 O HETATM 1177 O HOH 39 18.518 -35.600 12.950 1.00 31.50 O HETATM 1178 O HOH 40 4.262 -21.033 -4.612 1.00 24.01 O HETATM 1179 O HOH 41 21.030 -19.926 -10.819 1.00 34.88 O HETATM 1180 O HOH 42 20.358 -14.259 -2.371 1.00 23.53 O HETATM 1181 O HOH 43 8.686 -24.234 11.488 1.00 37.44 O HETATM 1182 O HOH 44 9.965 -32.113 -0.031 1.00 28.99 O HETATM 1183 O HOH 45 13.188 -32.135 13.334 1.00 25.80 O HETATM 1184 O HOH 46 29.933 -30.452 -6.948 1.00 37.80 O HETATM 1185 O HOH 47 16.539 -20.249 9.962 1.00 24.75 O HETATM 1186 O HOH 48 9.802 -16.069 5.480 1.00 17.73 O HETATM 1187 O HOH 49 7.805 -30.115 3.210 1.00 26.79 O HETATM 1188 O HOH 50 9.848 -17.798 3.407 1.00 16.92 O HETATM 1189 O HOH 51 25.820 -18.576 -5.686 1.00 27.18 O HETATM 1190 O HOH 52 18.641 -10.287 9.912 1.00 33.29 O HETATM 1191 O HOH 53 7.496 -24.028 -5.998 1.00 22.86 O HETATM 1192 O HOH 54 10.810 -20.521 -8.245 1.00 28.28 O HETATM 1193 O HOH 55 8.619 -17.487 1.029 1.00 15.96 O HETATM 1194 O HOH 56 13.819 -21.558 -7.303 1.00 25.36 O HETATM 1195 O HOH 57 -7.027 -12.171 0.000 1.00 54.22 O HETATM 1196 O HOH 58 18.107 -12.962 -1.470 1.00 16.54 O HETATM 1197 O HOH 59 9.242 -34.430 -1.257 1.00 32.13 O HETATM 1198 O HOH 60 26.263 -41.007 0.697 1.00 29.58 O HETATM 1199 O HOH 61 16.174 -35.412 5.724 1.00 17.47 O HETATM 1200 O HOH 62 12.102 -30.932 -6.468 1.00 27.19 O HETATM 1201 O HOH 63 28.964 -35.329 2.866 1.00 25.36 O HETATM 1202 O HOH 64 8.202 -26.494 -4.960 1.00 20.61 O HETATM 1203 O HOH 65 2.427 -14.928 13.261 1.00 41.09 O HETATM 1204 O HOH 66 12.059 -6.660 -8.708 1.00 35.66 O HETATM 1205 O HOH 67 28.821 -35.208 -10.082 1.00 40.40 O HETATM 1206 O HOH 68 27.434 -30.405 7.221 1.00 22.51 O HETATM 1207 O HOH 69 23.141 -32.527 -11.908 1.00 24.32 O HETATM 1208 O HOH 70 19.342 -39.835 -2.341 1.00 32.72 O HETATM 1209 O HOH 71 26.745 -19.461 0.564 1.00 26.29 O HETATM 1210 O HOH 72 -0.616 -10.901 -3.204 1.00 39.97 O HETATM 1211 O HOH 73 28.719 -19.322 -3.228 1.00 37.05 O HETATM 1212 O HOH 74 2.460 -22.662 -1.817 1.00 20.62 O HETATM 1213 O HOH 75 9.662 -14.301 9.290 1.00 27.17 O HETATM 1214 O HOH 76 18.891 -9.873 -7.651 1.00 30.32 O HETATM 1215 O HOH 77 19.423 -37.454 -4.550 1.00 34.03 O HETATM 1216 O HOH 78 24.437 -37.168 9.156 1.00 27.86 O HETATM 1217 O HOH 79 25.661 -13.873 0.571 1.00 39.43 O HETATM 1218 O HOH 80 12.314 -9.365 -11.585 1.00 33.27 O HETATM 1219 O HOH 81 11.723 -36.577 -4.925 1.00 26.84 O HETATM 1220 O HOH 82 6.352 -18.993 5.494 1.00 17.65 O HETATM 1221 O HOH 83 15.120 -31.916 -10.276 1.00 28.46 O HETATM 1222 O HOH 84 3.617 -6.508 -2.161 1.00 22.80 O HETATM 1223 O HOH 85 16.852 -21.807 -8.091 1.00 26.62 O HETATM 1224 O HOH 86 4.028 -18.743 7.104 1.00 21.85 O HETATM 1225 O HOH 87 9.428 -11.668 8.390 1.00 40.15 O HETATM 1226 O HOH 88 27.759 -24.543 4.978 1.00 37.42 O HETATM 1227 O HOH 89 3.684 -6.358 -9.247 1.00 18.91 O HETATM 1228 O HOH 90 21.896 -26.745 8.148 1.00 29.19 O HETATM 1229 O HOH 91 8.978 -36.435 3.296 1.00 29.26 O HETATM 1230 O HOH 92 9.793 -5.534 0.385 1.00 19.61 O HETATM 1231 O HOH 93 -2.481 -16.061 6.432 1.00 31.40 O HETATM 1232 O HOH 94 10.867 -18.822 -10.583 1.00 17.50 O HETATM 1233 O HOH 95 17.873 -9.535 1.705 1.00 39.49 O HETATM 1234 O HOH 96 7.075 -5.701 -14.812 1.00 26.22 O HETATM 1235 O HOH 97 21.032 -23.807 8.349 1.00 37.50 O HETATM 1236 O HOH 98 7.067 -29.114 5.713 1.00 24.83 O HETATM 1237 O HOH 99 16.442 -36.359 -6.467 1.00 20.07 O HETATM 1238 O HOH 100 30.662 -34.980 -1.355 1.00 46.00 O HETATM 1239 O HOH 101 10.077 -32.896 -5.953 1.00 40.14 O HETATM 1240 O HOH 102 26.292 -15.432 -4.959 1.00 33.24 O HETATM 1241 O HOH 103 23.534 -48.514 -2.464 1.00 48.65 O HETATM 1242 O HOH 104 9.788 -31.791 12.647 1.00 45.75 O HETATM 1243 O HOH 105 8.280 -23.799 -8.292 1.00 40.72 O HETATM 1244 O HOH 106 15.200 -41.301 -2.209 1.00 27.27 O HETATM 1245 O HOH 107 4.933 -3.913 -8.631 1.00 25.97 O HETATM 1246 O HOH 108 12.116 -14.725 8.319 1.00 23.20 O HETATM 1247 O HOH 109 9.858 -27.403 -7.436 1.00 29.31 O HETATM 1248 O HOH 110 3.719 -17.574 11.391 1.00 35.65 O HETATM 1249 O HOH 111 27.513 -16.320 0.252 1.00 39.12 O HETATM 1250 O HOH 112 21.634 -16.730 8.072 1.00 41.25 O HETATM 1251 O HOH 113 -3.797 -15.035 10.063 1.00 39.96 O HETATM 1252 O HOH 114 19.855 -17.662 9.756 1.00 47.10 O HETATM 1253 O HOH 115 8.919 -34.438 -3.891 1.00 51.98 O HETATM 1254 O HOH 116 28.222 -23.400 -3.264 1.00 32.51 O HETATM 1255 O HOH 117 14.972 -26.018 12.971 1.00 44.31 O HETATM 1256 O HOH 118 14.038 -30.500 -8.065 1.00 27.47 O HETATM 1257 O HOH 119 26.726 -27.887 8.065 1.00 33.88 O HETATM 1258 O HOH 120 18.927 -20.460 -11.321 1.00 42.39 O HETATM 1259 O HOH 121 20.076 -44.993 -2.958 1.00 36.56 O HETATM 1260 O HOH 122 30.736 -33.013 -6.930 1.00 50.59 O HETATM 1261 O HOH 123 17.158 -29.719 -10.583 1.00 32.43 O HETATM 1262 O HOH 124 27.303 -27.205 -10.627 1.00 49.35 O HETATM 1263 O HOH 125 0.712 -21.285 -3.873 1.00 26.41 O HETATM 1264 O HOH 126 22.203 -48.846 -0.684 1.00 36.62 O HETATM 1265 O HOH 127 8.784 -32.288 2.719 1.00 52.61 O HETATM 1266 O HOH 128 10.540 -25.451 -10.154 1.00 45.60 O HETATM 1267 O HOH 129 24.046 -17.392 7.249 1.00 49.18 O HETATM 1268 O HOH 130 29.225 -32.485 2.575 1.00 28.81 O HETATM 1269 O HOH 131 10.680 -23.494 -9.064 1.00 35.63 O HETATM 1270 O HOH 132 31.369 -39.174 -2.446 1.00 51.84 O HETATM 1271 O HOH 133 13.398 -34.485 14.585 1.00 41.87 O HETATM 1272 O HOH 134 6.077 -28.089 -3.751 1.00 49.66 O HETATM 1273 O HOH 135 22.079 -48.426 -4.249 1.00 49.41 O HETATM 1274 O HOH 136 16.049 -41.740 -4.297 1.00 52.97 O HETATM 1275 O HOH 137 6.133 -3.106 -10.813 1.00 30.36 O HETATM 1276 O HOH 138 14.184 -24.567 -10.583 1.00 43.48 O HETATM 1277 O HOH 139 21.255 -36.621 -6.558 1.00 40.32 O HETATM 1278 O HOH 140 28.327 -21.028 -1.229 1.00 30.52 O HETATM 1279 O HOH 141 -3.745 -17.014 8.823 1.00 33.26 O HETATM 1280 O HOH 142 5.037 -22.974 7.897 1.00 24.64 O HETATM 1281 O HOH 143 17.438 -23.035 11.537 1.00 53.15 O HETATM 1282 O HOH 144 2.268 -25.009 -3.117 1.00 28.45 O HETATM 1283 O HOH 145 26.790 -23.577 -13.662 1.00 57.63 O HETATM 1284 O HOH 146 27.935 -20.054 -5.597 1.00 35.65 O HETATM 1285 O HOH 147 6.476 -23.879 -9.542 1.00 35.26 O HETATM 1286 O HOH 148 29.356 -28.897 -9.690 1.00 38.12 O HETATM 1287 O HOH 149 14.837 -30.080 14.325 1.00 47.51 O HETATM 1288 O HOH 150 5.069 -27.435 6.306 1.00 29.86 O HETATM 1289 O HOH 151 30.349 -36.757 4.879 1.00 31.80 O HETATM 1290 O HOH 152 25.988 -17.144 -7.975 1.00 38.68 O HETATM 1291 O HOH 153 12.907 -22.355 -10.583 1.00 43.76 O HETATM 1292 O HOH 154 30.776 -33.208 -10.350 1.00 37.33 O HETATM 1293 O HOH 155 30.048 -30.265 6.657 1.00 34.77 O HETATM 1294 O HOH 156 3.132 -6.629 2.086 1.00 49.20 O HETATM 1295 O HOH 157 20.659 -24.257 11.457 1.00 46.55 O HETATM 1296 O HOH 158 10.347 -20.248 13.693 1.00 44.78 O HETATM 1297 O HOH 159 2.969 -20.131 10.931 1.00 33.45 O HETATM 1298 O HOH 160 8.519 -22.340 13.372 1.00 39.25 O HETATM 1299 O HOH 161 30.545 -36.479 1.108 1.00 40.63 O HETATM 1300 O HOH 162 29.176 -41.266 0.129 1.00 43.63 O HETATM 1301 O HOH 163 1.275 -6.826 -8.087 1.00 25.79 O HETATM 1302 O HOH 164 3.122 -20.972 8.400 1.00 25.95 O HETATM 1303 O HOH 165 5.539 -27.401 8.836 1.00 40.22 O HETATM 1304 O HOH 166 17.945 -38.617 -7.193 1.00 37.75 O HETATM 1305 O HOH 167 30.983 -31.219 4.489 1.00 42.26 O HETATM 1306 O HOH 168 15.566 -42.046 -6.624 1.00 55.96 O HETATM 1307 O HOH 169 0.733 -22.362 7.738 1.00 32.42 O HETATM 1308 O HOH 170 31.820 -38.991 3.634 1.00 38.91 O HETATM 1309 O HOH 171 0.691 -19.886 12.567 1.00 35.43 O HETATM 1310 O HOH 172 0.511 -4.570 -6.682 1.00 35.69 O HETATM 1311 O HOH 173 30.464 -39.310 0.384 1.00 50.42 O HETATM 1312 O HOH 174 27.541 -24.660 -15.518 1.00 40.19 O HETATM 1313 O HOH 175 -3.842 -19.285 10.497 1.00 32.91 O HETATM 1314 O HOH 176 31.773 -35.353 6.862 1.00 39.50 O HETATM 1315 O HOH 177 -1.758 -20.469 11.697 1.00 34.23 O HETATM 1316 O HOH 178 -3.102 -23.413 8.809 1.00 57.10 O HETATM 1317 O HOH 179 -0.959 -22.353 9.851 1.00 42.23 O HETATM 1318 CAB UNN A 180 6.657 -9.578 7.173 1.00 -0.03 C HETATM 1319 CAJ UNN A 180 6.353 -10.021 5.886 1.00 -0.02 C HETATM 1320 CAE UNN A 180 5.254 -9.495 5.221 1.00 -0.07 C HETATM 1321 CAD UNN A 180 4.973 -9.955 3.942 1.00 -0.09 C HETATM 1322 CAF UNN A 180 5.804 -10.915 3.376 1.00 -0.08 C HETATM 1323 CAL UNN A 180 6.850 -11.390 4.058 1.00 -0.02 C HETATM 1324 CAM UNN A 180 7.117 -10.942 5.297 1.00 0.07 C HETATM 1325 NAH UNN A 180 8.206 -11.570 5.738 1.00 -0.27 N HETATM 1326 CAG UNN A 180 8.627 -12.405 4.794 1.00 0.05 C HETATM 1327 CAK UNN A 180 7.791 -12.292 3.761 1.00 0.03 C HETATM 1328 CAI UNN A 180 7.925 -13.004 2.628 1.00 0.10 C HETATM 1329 OAC UNN A 180 7.091 -13.011 1.715 1.00 -0.40 O HETATM 1330 CAA UNN A 180 9.204 -13.841 2.538 1.00 0.00 C HETATM 1331 H9 UNN A 180 9.221 -14.383 1.581 1.00 0.04 H HETATM 1332 H10 UNN A 180 9.230 -14.562 3.368 1.00 0.04 H HETATM 1333 H11 UNN A 180 10.080 -13.179 2.600 1.00 0.04 H HETATM 1334 H8 UNN A 180 9.495 -13.061 4.853 1.00 0.11 H HETATM 1335 H7 UNN A 180 8.648 -11.431 6.658 1.00 0.23 H HETATM 1336 H6 UNN A 180 5.602 -11.280 2.376 1.00 0.05 H HETATM 1337 H5 UNN A 180 4.120 -9.572 3.394 1.00 0.05 H HETATM 1338 H4 UNN A 180 4.630 -8.743 5.690 1.00 0.05 H HETATM 1339 H1 UNN A 180 5.919 -8.825 7.485 1.00 0.04 H HETATM 1340 H2 UNN A 180 7.662 -9.131 7.179 1.00 0.04 H HETATM 1341 H3 UNN A 180 6.630 -10.429 7.870 1.00 0.04 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1318 1319 1339 1340 1341 CONECT 1319 1318 1320 1324 CONECT 1320 1319 1321 1338 CONECT 1321 1320 1322 1337 CONECT 1322 1321 1323 1336 CONECT 1323 1322 1324 1327 CONECT 1324 1319 1323 1325 CONECT 1325 1324 1326 1335 CONECT 1326 1325 1327 1334 CONECT 1327 1323 1326 1328 CONECT 1328 1327 1329 1330 CONECT 1329 1328 CONECT 1330 1328 1331 1332 1333 CONECT 1331 1330 CONECT 1332 1330 CONECT 1333 1330 CONECT 1334 1326 CONECT 1335 1325 CONECT 1336 1322 CONECT 1337 1321 CONECT 1338 1320 CONECT 1339 1318 CONECT 1340 1318 CONECT 1341 1318 MASTER 0 0 0 0 0 0 0 0 1340 1 28 9 END
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Related entries of code: 5etb
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4uye
RCSB PDB
PDBbind
118aa, >4UYE_1|Chains... *
5c7n
RCSB PDB
PDBbind
116aa, >5C7N_1|Chain... at 97%
5c85
RCSB PDB
PDBbind
116aa, >5C85_1|Chain... at 97%
5c87
RCSB PDB
PDBbind
116aa, >5C87_1|Chain... at 97%
5d7x
RCSB PDB
PDBbind
116aa, >5D7X_1|Chain... at 97%
5dy7
RCSB PDB
PDBbind
116aa, >5DY7_1|Chain... at 97%
5dya
RCSB PDB
PDBbind
116aa, >5DYA_1|Chain... at 97%
5e3d
RCSB PDB
PDBbind
116aa, >5E3D_1|Chain... at 97%
5e3g
RCSB PDB
PDBbind
116aa, >5E3G_1|Chain... at 97%
5em3
RCSB PDB
PDBbind
116aa, >5EM3_1|Chain... at 97%
5epr
RCSB PDB
PDBbind
116aa, >5EPR_1|Chain... at 97%
5eps
RCSB PDB
PDBbind
116aa, >5EPS_1|Chain... at 97%
5eq1
RCSB PDB
PDBbind
116aa, >5EQ1_1|Chain... at 97%
5eva
RCSB PDB
PDBbind
116aa, >5EVA_1|Chain... at 97%
5ewd
RCSB PDB
PDBbind
116aa, >5EWD_1|Chain... at 97%
5ewh
RCSB PDB
PDBbind
116aa, >5EWH_1|Chain... at 97%
5mwg
RCSB PDB
PDBbind
116aa, >5MWG_1|Chains... at 97%
5mwh
RCSB PDB
PDBbind
116aa, >5MWH_1|Chains... at 97%
5mwz
RCSB PDB
PDBbind
116aa, >5MWZ_1|Chain... at 97%
5myg
RCSB PDB
PDBbind
116aa, >5MYG_1|Chains... at 97%
5o4s
RCSB PDB
PDBbind
116aa, >5O4S_1|Chains... at 97%
5o4t
RCSB PDB
PDBbind
116aa, >5O4T_1|Chain... at 97%
5o55
RCSB PDB
PDBbind
116aa, >5O55_1|Chain... at 97%
5o5a
RCSB PDB
PDBbind
116aa, >5O5A_1|Chain... at 97%
5o5f
RCSB PDB
PDBbind
116aa, >5O5F_1|Chain... at 97%
5o5h
RCSB PDB
PDBbind
116aa, >5O5H_1|Chain... at 97%
5ov8
RCSB PDB
PDBbind
116aa, >5OV8_1|Chains... at 97%
5owa
RCSB PDB
PDBbind
116aa, >5OWA_1|Chains... at 97%
5t4u
RCSB PDB
PDBbind
116aa, >5T4U_1|Chain... at 97%
5t4v
RCSB PDB
PDBbind
116aa, >5T4V_1|Chain... at 97%
6ekq
RCSB PDB
PDBbind
116aa, >6EKQ_1|Chains... at 97%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5etb
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
human BRPF1 bromodomain
Ligand Name
5RO
EC.Number
E.C.-.-.-.-
Resolution
1.33(Å)
Affinity (Kd/Ki/IC50)
Kd=29uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J.Med.Chem. Vol. 59: pp. 5555-5561
Ligand Properties
Formula
C
1
1
H
1
1
NO
Molecular Weight
173.211
Exact Mass
173.084
No. of atoms
24
No. of bonds
25
Polar Surface Area
32.86
LOGP Value
2.10 (
Computed with XLOGP3
)
2.68 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 2
Canonical SMILES
CC(=O)c1c[nH]c2c1cccc2C
InChI String
InChI=1S/C11H11NO/c1-7-4-3-5-9-10(8(2)13)6-12-11(7)9/h3-6,12H,1-2H3
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):
P55201
Entrez Gene ID
NCBI Entrez Gene ID:
7862
ASD
Information of known allosteric effects of PDB entries
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