Browse entries in the PDBbind-CN Database
HEADER 5O5H_COMPLEX COMPND 5O5H_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 235 38 ATOM 1 N MET A 628 24.300 -46.248 -1.426 1.00 56.61 N ATOM 2 CA MET A 628 24.571 -44.930 -0.850 1.00 55.10 C ATOM 3 C MET A 628 24.154 -44.927 0.626 1.00 55.86 C ATOM 4 O MET A 628 23.067 -45.404 0.983 1.00 50.50 O ATOM 5 CB MET A 628 23.840 -43.834 -1.638 1.00 59.61 C ATOM 6 CG MET A 628 24.309 -42.396 -1.370 1.00 64.46 C ATOM 7 SD MET A 628 23.043 -41.200 -1.868 1.00 72.49 S ATOM 8 CE MET A 628 23.995 -39.806 -2.453 1.00 63.87 C ATOM 9 HN3 MET A 628 23.284 -46.456 -1.350 1.00 0.00 H ATOM 10 HN2 MET A 628 24.842 -46.969 -0.909 1.00 0.00 H ATOM 11 HN1 MET A 628 24.582 -46.252 -2.427 1.00 0.00 H ATOM 12 N GLN A 629 25.035 -44.413 1.482 1.00 54.49 N ATOM 13 CA GLN A 629 24.827 -44.454 2.922 1.00 42.62 C ATOM 14 C GLN A 629 24.237 -43.128 3.381 1.00 42.78 C ATOM 15 O GLN A 629 24.490 -42.079 2.781 1.00 37.43 O ATOM 16 CB GLN A 629 26.137 -44.757 3.657 1.00 46.64 C ATOM 17 CG GLN A 629 26.168 -44.293 5.119 1.00 59.22 C ATOM 18 CD GLN A 629 27.364 -44.788 5.924 1.00 72.22 C ATOM 19 OE1 GLN A 629 28.518 -44.526 5.578 1.00 77.78 O ATOM 20 NE2 GLN A 629 27.085 -45.477 7.032 1.00 67.65 N ATOM 21 HE22 GLN A 629 26.096 -45.675 7.286 1.00 0.00 H ATOM 22 HE21 GLN A 629 27.856 -45.816 7.642 1.00 0.00 H ATOM 23 H GLN A 629 25.899 -43.968 1.110 1.00 0.00 H ATOM 24 N LEU A 630 23.416 -43.184 4.439 1.00 39.41 N ATOM 25 CA LEU A 630 22.598 -42.024 4.793 1.00 37.81 C ATOM 26 C LEU A 630 23.428 -40.894 5.399 1.00 37.10 C ATOM 27 O LEU A 630 23.215 -39.725 5.067 1.00 35.41 O ATOM 28 CB LEU A 630 21.477 -42.430 5.748 1.00 46.14 C ATOM 29 CG LEU A 630 20.668 -41.262 6.331 1.00 43.01 C ATOM 30 CD1 LEU A 630 19.945 -40.507 5.232 1.00 37.61 C ATOM 31 CD2 LEU A 630 19.673 -41.756 7.389 1.00 44.75 C ATOM 32 H LEU A 630 23.360 -44.052 5.008 1.00 0.00 H ATOM 33 N THR A 631 24.377 -41.210 6.282 1.00 38.55 N ATOM 34 CA THR A 631 25.054 -40.129 7.003 1.00 38.21 C ATOM 35 C THR A 631 25.896 -39.211 6.108 1.00 36.91 C ATOM 36 O THR A 631 25.845 -37.990 6.292 1.00 39.26 O ATOM 37 CB THR A 631 25.904 -40.699 8.146 1.00 42.79 C ATOM 38 OG1 THR A 631 25.032 -41.152 9.180 1.00 44.85 O ATOM 39 CG2 THR A 631 26.822 -39.616 8.724 1.00 40.25 C ATOM 40 HG1 THR A 631 25.569 -41.523 9.924 1.00 0.00 H ATOM 41 H THR A 631 24.631 -42.204 6.455 1.00 0.00 H ATOM 42 N PRO A 632 26.666 -39.718 5.135 1.00 37.21 N ATOM 43 CA PRO A 632 27.365 -38.789 4.228 1.00 36.09 C ATOM 44 C PRO A 632 26.414 -37.904 3.438 1.00 37.52 C ATOM 45 O PRO A 632 26.677 -36.711 3.222 1.00 32.98 O ATOM 46 CB PRO A 632 28.151 -39.728 3.302 1.00 37.17 C ATOM 47 CG PRO A 632 28.281 -40.997 4.057 1.00 42.03 C ATOM 48 CD PRO A 632 27.021 -41.115 4.843 1.00 44.56 C ATOM 49 N PHE A 633 25.292 -38.464 3.001 1.00 33.69 N ATOM 50 CA PHE A 633 24.325 -37.667 2.260 1.00 31.95 C ATOM 51 C PHE A 633 23.769 -36.534 3.117 1.00 31.07 C ATOM 52 O PHE A 633 23.645 -35.393 2.656 1.00 29.73 O ATOM 53 CB PHE A 633 23.202 -38.575 1.758 1.00 32.14 C ATOM 54 CG PHE A 633 22.144 -37.848 1.005 1.00 30.62 C ATOM 55 CD1 PHE A 633 22.380 -37.406 -0.285 1.00 29.76 C ATOM 56 CD2 PHE A 633 20.911 -37.605 1.576 1.00 33.45 C ATOM 57 CE1 PHE A 633 21.409 -36.743 -0.990 1.00 30.85 C ATOM 58 CE2 PHE A 633 19.931 -36.935 0.869 1.00 29.43 C ATOM 59 CZ PHE A 633 20.187 -36.499 -0.414 1.00 29.54 C ATOM 60 H PHE A 633 25.104 -39.470 3.188 1.00 0.00 H ATOM 61 N LEU A 634 23.397 -36.834 4.362 1.00 32.00 N ATOM 62 CA LEU A 634 22.899 -35.790 5.250 1.00 31.55 C ATOM 63 C LEU A 634 23.989 -34.768 5.564 1.00 31.54 C ATOM 64 O LEU A 634 23.701 -33.572 5.712 1.00 30.59 O ATOM 65 CB LEU A 634 22.346 -36.412 6.529 1.00 38.21 C ATOM 66 CG LEU A 634 21.056 -37.237 6.357 1.00 33.28 C ATOM 67 CD1 LEU A 634 20.570 -37.802 7.699 1.00 35.03 C ATOM 68 CD2 LEU A 634 19.963 -36.392 5.714 1.00 37.82 C ATOM 69 H LEU A 634 23.462 -37.815 4.701 1.00 0.00 H ATOM 70 N ILE A 635 25.241 -35.214 5.655 1.00 32.51 N ATOM 71 CA ILE A 635 26.339 -34.269 5.835 1.00 33.41 C ATOM 72 C ILE A 635 26.390 -33.306 4.659 1.00 31.10 C ATOM 73 O ILE A 635 26.516 -32.091 4.843 1.00 30.60 O ATOM 74 CB ILE A 635 27.668 -35.018 6.028 1.00 34.28 C ATOM 75 CG1 ILE A 635 27.693 -35.699 7.401 1.00 38.14 C ATOM 76 CG2 ILE A 635 28.852 -34.059 5.921 1.00 34.48 C ATOM 77 CD1 ILE A 635 28.989 -36.401 7.708 1.00 45.45 C ATOM 78 H ILE A 635 25.436 -36.234 5.598 1.00 0.00 H ATOM 79 N LEU A 636 26.244 -33.832 3.436 1.00 30.50 N ATOM 80 CA LEU A 636 26.213 -32.993 2.238 1.00 29.21 C ATOM 81 C LEU A 636 25.046 -32.009 2.268 1.00 28.51 C ATOM 82 O LEU A 636 25.199 -30.833 1.900 1.00 27.63 O ATOM 83 CB LEU A 636 26.122 -33.880 0.999 1.00 29.31 C ATOM 84 CG LEU A 636 25.958 -33.211 -0.368 1.00 29.08 C ATOM 85 CD1 LEU A 636 27.019 -32.133 -0.617 1.00 29.20 C ATOM 86 CD2 LEU A 636 25.945 -34.266 -1.457 1.00 28.52 C ATOM 87 H LEU A 636 26.150 -34.863 3.335 1.00 0.00 H ATOM 88 N LEU A 637 23.853 -32.480 2.662 1.00 27.69 N ATOM 89 CA LEU A 637 22.702 -31.582 2.687 1.00 26.63 C ATOM 90 C LEU A 637 22.878 -30.495 3.742 1.00 26.87 C ATOM 91 O LEU A 637 22.497 -29.347 3.508 1.00 26.47 O ATOM 92 CB LEU A 637 21.401 -32.352 2.925 1.00 26.78 C ATOM 93 CG LEU A 637 20.868 -33.278 1.825 1.00 28.36 C ATOM 94 CD1 LEU A 637 19.418 -33.642 2.104 1.00 26.71 C ATOM 95 CD2 LEU A 637 21.003 -32.628 0.443 1.00 27.83 C ATOM 96 H LEU A 637 23.749 -33.475 2.947 1.00 0.00 H ATOM 97 N ARG A 638 23.457 -30.832 4.906 1.00 28.21 N ATOM 98 CA ARG A 638 23.684 -29.808 5.927 1.00 31.63 C ATOM 99 C ARG A 638 24.629 -28.727 5.414 1.00 28.42 C ATOM 100 O ARG A 638 24.392 -27.528 5.625 1.00 28.16 O ATOM 101 CB ARG A 638 24.241 -30.434 7.213 1.00 34.13 C ATOM 102 CG ARG A 638 23.191 -31.158 8.043 1.00 32.26 C ATOM 103 CD ARG A 638 23.784 -31.800 9.285 1.00 41.68 C ATOM 104 NE ARG A 638 22.834 -32.733 9.879 1.00 45.04 N ATOM 105 CZ ARG A 638 22.987 -34.052 9.883 1.00 40.44 C ATOM 106 NH1 ARG A 638 24.069 -34.602 9.347 1.00 39.85 N ATOM 107 NH2 ARG A 638 22.054 -34.818 10.428 1.00 38.92 N ATOM 108 HE ARG A 638 21.982 -32.340 10.328 1.00 0.00 H ATOM 109 HH12 ARG A 638 24.184 -35.636 9.353 1.00 0.00 H ATOM 110 HH11 ARG A 638 24.802 -34.000 8.921 1.00 0.00 H ATOM 111 HH22 ARG A 638 22.168 -35.852 10.434 1.00 0.00 H ATOM 112 HH21 ARG A 638 21.207 -34.386 10.850 1.00 0.00 H ATOM 113 H ARG A 638 23.743 -31.816 5.081 1.00 0.00 H ATOM 114 N LYS A 639 25.704 -29.131 4.734 1.00 28.64 N ATOM 115 CA LYS A 639 26.628 -28.154 4.149 1.00 28.53 C ATOM 116 C LYS A 639 25.946 -27.314 3.084 1.00 31.77 C ATOM 117 O LYS A 639 26.186 -26.101 2.981 1.00 26.92 O ATOM 118 CB LYS A 639 27.833 -28.875 3.547 1.00 31.57 C ATOM 119 CG LYS A 639 28.883 -27.952 2.949 1.00 41.07 C ATOM 120 CD LYS A 639 29.895 -28.738 2.138 1.00 46.29 C ATOM 121 CE LYS A 639 30.986 -27.836 1.582 1.00 52.42 C ATOM 122 NZ LYS A 639 31.820 -28.540 0.568 1.00 57.82 N ATOM 123 HZ1 LYS A 639 32.271 -29.368 1.006 1.00 0.00 H ATOM 124 HZ2 LYS A 639 31.217 -28.849 -0.221 1.00 0.00 H ATOM 125 HZ3 LYS A 639 32.552 -27.892 0.213 1.00 0.00 H ATOM 126 H LYS A 639 25.888 -30.148 4.618 1.00 0.00 H ATOM 127 N THR A 640 25.112 -27.951 2.259 1.00 29.52 N ATOM 128 CA THR A 640 24.442 -27.243 1.179 1.00 24.81 C ATOM 129 C THR A 640 23.436 -26.237 1.725 1.00 28.10 C ATOM 130 O THR A 640 23.289 -25.135 1.180 1.00 28.75 O ATOM 131 CB THR A 640 23.760 -28.253 0.244 1.00 24.24 C ATOM 132 OG1 THR A 640 24.743 -29.177 -0.252 1.00 25.13 O ATOM 133 CG2 THR A 640 23.085 -27.543 -0.940 1.00 23.12 C ATOM 134 HG1 THR A 640 25.158 -29.656 0.509 1.00 0.00 H ATOM 135 H THR A 640 24.939 -28.968 2.390 1.00 0.00 H ATOM 136 N LEU A 641 22.741 -26.593 2.807 1.00 24.78 N ATOM 137 CA LEU A 641 21.801 -25.656 3.416 1.00 24.92 C ATOM 138 C LEU A 641 22.538 -24.455 3.999 1.00 27.40 C ATOM 139 O LEU A 641 22.078 -23.312 3.888 1.00 28.23 O ATOM 140 CB LEU A 641 20.991 -26.371 4.493 1.00 25.42 C ATOM 141 CG LEU A 641 19.795 -25.624 5.067 1.00 38.29 C ATOM 142 CD1 LEU A 641 18.762 -25.329 3.981 1.00 31.39 C ATOM 143 CD2 LEU A 641 19.203 -26.442 6.205 1.00 34.91 C ATOM 144 H LEU A 641 22.869 -27.540 3.218 1.00 0.00 H ATOM 145 N GLU A 642 23.700 -24.692 4.613 1.00 26.49 N ATOM 146 CA GLU A 642 24.502 -23.571 5.094 1.00 29.57 C ATOM 147 C GLU A 642 24.924 -22.655 3.946 1.00 30.24 C ATOM 148 O GLU A 642 24.926 -21.424 4.093 1.00 28.44 O ATOM 149 CB GLU A 642 25.720 -24.096 5.852 1.00 32.87 C ATOM 150 CG GLU A 642 25.468 -24.271 7.338 1.00 59.87 C ATOM 151 CD GLU A 642 26.747 -24.282 8.153 1.00 83.16 C ATOM 152 OE1 GLU A 642 27.807 -24.644 7.599 1.00 88.97 O ATOM 153 OE2 GLU A 642 26.693 -23.907 9.343 1.00 90.73 O ATOM 154 H GLU A 642 24.031 -25.669 4.748 1.00 0.00 H ATOM 155 N GLN A 643 25.288 -23.234 2.793 1.00 28.75 N ATOM 156 CA GLN A 643 25.731 -22.419 1.659 1.00 25.83 C ATOM 157 C GLN A 643 24.585 -21.608 1.066 1.00 24.51 C ATOM 158 O GLN A 643 24.779 -20.459 0.640 1.00 24.60 O ATOM 159 CB GLN A 643 26.367 -23.301 0.583 1.00 26.43 C ATOM 160 CG GLN A 643 27.633 -24.029 1.056 1.00 30.27 C ATOM 161 CD GLN A 643 28.181 -24.993 0.010 1.00 30.83 C ATOM 162 OE1 GLN A 643 27.431 -25.666 -0.689 1.00 35.09 O ATOM 163 NE2 GLN A 643 29.497 -25.065 -0.092 1.00 38.13 N ATOM 164 HE22 GLN A 643 30.099 -24.477 0.519 1.00 0.00 H ATOM 165 HE21 GLN A 643 29.930 -25.709 -0.784 1.00 0.00 H ATOM 166 H GLN A 643 25.256 -24.270 2.703 1.00 0.00 H ATOM 167 N LEU A 644 23.388 -22.195 1.013 1.00 23.66 N ATOM 168 CA LEU A 644 22.209 -21.465 0.566 1.00 22.83 C ATOM 169 C LEU A 644 21.885 -20.320 1.518 1.00 23.50 C ATOM 170 O LEU A 644 21.618 -19.190 1.080 1.00 27.48 O ATOM 171 CB LEU A 644 21.019 -22.434 0.455 1.00 22.15 C ATOM 172 CG LEU A 644 21.118 -23.489 -0.649 1.00 24.48 C ATOM 173 CD1 LEU A 644 19.950 -24.482 -0.536 1.00 21.55 C ATOM 174 CD2 LEU A 644 21.127 -22.810 -2.039 1.00 21.88 C ATOM 175 H LEU A 644 23.295 -23.191 1.296 1.00 0.00 H ATOM 176 N GLN A 645 21.938 -20.585 2.826 1.00 24.47 N ATOM 177 CA GLN A 645 21.663 -19.544 3.809 1.00 30.57 C ATOM 178 C GLN A 645 22.624 -18.376 3.663 1.00 32.28 C ATOM 179 O GLN A 645 22.240 -17.222 3.894 1.00 37.51 O ATOM 180 CB GLN A 645 21.757 -20.116 5.224 1.00 36.70 C ATOM 181 CG GLN A 645 20.643 -21.048 5.577 1.00 39.95 C ATOM 182 CD GLN A 645 20.123 -20.805 6.974 1.00 56.69 C ATOM 183 OE1 GLN A 645 19.764 -19.676 7.328 1.00 56.13 O ATOM 184 NE2 GLN A 645 20.070 -21.864 7.779 1.00 55.36 N ATOM 185 HE22 GLN A 645 20.383 -22.794 7.436 1.00 0.00 H ATOM 186 HE21 GLN A 645 19.715 -21.761 8.751 1.00 0.00 H ATOM 187 H GLN A 645 22.178 -21.545 3.147 1.00 0.00 H ATOM 188 N GLU A 646 23.869 -18.654 3.279 1.00 33.49 N ATOM 189 CA GLU A 646 24.848 -17.582 3.109 1.00 34.94 C ATOM 190 C GLU A 646 24.469 -16.649 1.972 1.00 37.74 C ATOM 191 O GLU A 646 24.755 -15.448 2.044 1.00 33.88 O ATOM 192 CB GLU A 646 26.236 -18.157 2.844 1.00 30.89 C ATOM 193 CG GLU A 646 26.864 -18.855 4.020 1.00 46.60 C ATOM 194 CD GLU A 646 28.184 -19.483 3.647 1.00 58.30 C ATOM 195 OE1 GLU A 646 28.723 -19.118 2.576 1.00 57.20 O ATOM 196 OE2 GLU A 646 28.659 -20.359 4.405 1.00 66.68 O ATOM 197 H GLU A 646 24.146 -19.640 3.099 1.00 0.00 H ATOM 198 N LYS A 647 23.860 -17.183 0.908 1.00 30.80 N ATOM 199 CA LYS A 647 23.390 -16.347 -0.193 1.00 29.73 C ATOM 200 C LYS A 647 22.275 -15.399 0.235 1.00 31.95 C ATOM 201 O LYS A 647 22.033 -14.393 -0.441 1.00 35.08 O ATOM 202 CB LYS A 647 22.908 -17.212 -1.363 1.00 28.87 C ATOM 203 CG LYS A 647 23.973 -18.129 -1.953 1.00 31.13 C ATOM 204 CD LYS A 647 25.330 -17.434 -1.998 1.00 30.77 C ATOM 205 CE LYS A 647 26.327 -18.208 -2.828 1.00 30.50 C ATOM 206 NZ LYS A 647 27.472 -17.366 -3.234 1.00 31.55 N ATOM 207 HZ1 LYS A 647 27.128 -16.564 -3.799 1.00 0.00 H ATOM 208 HZ2 LYS A 647 27.958 -17.011 -2.386 1.00 0.00 H ATOM 209 HZ3 LYS A 647 28.134 -17.933 -3.802 1.00 0.00 H ATOM 210 H LYS A 647 23.719 -18.212 0.864 1.00 0.00 H ATOM 211 N ASP A 648 21.607 -15.696 1.342 1.00 29.59 N ATOM 212 CA ASP A 648 20.541 -14.863 1.886 1.00 28.94 C ATOM 213 C ASP A 648 21.154 -13.881 2.881 1.00 27.27 C ATOM 214 O ASP A 648 20.990 -13.970 4.096 1.00 31.45 O ATOM 215 CB ASP A 648 19.472 -15.741 2.530 1.00 34.20 C ATOM 216 CG ASP A 648 18.376 -14.940 3.211 1.00 40.67 C ATOM 217 OD1 ASP A 648 18.177 -13.760 2.859 1.00 36.92 O ATOM 218 OD2 ASP A 648 17.721 -15.496 4.116 1.00 33.27 O ATOM 219 H ASP A 648 21.857 -16.569 1.849 1.00 0.00 H ATOM 220 N THR A 649 21.892 -12.914 2.328 1.00 30.22 N ATOM 221 CA THR A 649 22.678 -12.037 3.191 1.00 34.75 C ATOM 222 C THR A 649 21.787 -11.137 4.029 1.00 37.15 C ATOM 223 O THR A 649 22.185 -10.716 5.120 1.00 40.64 O ATOM 224 CB THR A 649 23.652 -11.219 2.351 1.00 30.35 C ATOM 225 OG1 THR A 649 22.920 -10.481 1.364 1.00 39.89 O ATOM 226 CG2 THR A 649 24.652 -12.127 1.663 1.00 39.77 C ATOM 227 HG1 THR A 649 23.550 -9.949 0.817 1.00 0.00 H ATOM 228 H THR A 649 21.906 -12.788 1.296 1.00 0.00 H ATOM 229 N GLY A 650 20.578 -10.850 3.554 1.00 35.60 N ATOM 230 CA GLY A 650 19.645 -10.087 4.358 1.00 36.91 C ATOM 231 C GLY A 650 18.930 -10.885 5.415 1.00 34.80 C ATOM 232 O GLY A 650 18.213 -10.306 6.236 1.00 36.73 O ATOM 233 H GLY A 650 20.302 -11.174 2.605 1.00 0.00 H ATOM 234 N ASN A 651 19.103 -12.210 5.414 1.00 33.49 N ATOM 235 CA ASN A 651 18.415 -13.082 6.355 1.00 37.76 C ATOM 236 C ASN A 651 16.897 -12.958 6.247 1.00 36.92 C ATOM 237 O ASN A 651 16.182 -13.070 7.244 1.00 45.20 O ATOM 238 CB ASN A 651 18.864 -12.806 7.794 1.00 39.15 C ATOM 239 CG ASN A 651 20.010 -13.681 8.212 1.00 47.77 C ATOM 240 OD1 ASN A 651 20.993 -13.810 7.486 1.00 46.65 O ATOM 241 ND2 ASN A 651 19.898 -14.290 9.391 1.00 61.61 N ATOM 242 HD22 ASN A 651 19.046 -14.149 9.970 1.00 0.00 H ATOM 243 HD21 ASN A 651 20.663 -14.906 9.733 1.00 0.00 H ATOM 244 H ASN A 651 19.750 -12.632 4.718 1.00 0.00 H ATOM 245 N ILE A 652 16.359 -12.748 5.045 1.00 30.56 N ATOM 246 CA ILE A 652 14.905 -12.652 4.957 1.00 29.26 C ATOM 247 C ILE A 652 14.248 -14.011 4.746 1.00 30.08 C ATOM 248 O ILE A 652 13.025 -14.123 4.895 1.00 29.38 O ATOM 249 CB ILE A 652 14.460 -11.673 3.853 1.00 39.77 C ATOM 250 CG1 ILE A 652 14.700 -12.263 2.477 1.00 45.35 C ATOM 251 CG2 ILE A 652 15.177 -10.316 3.998 1.00 44.22 C ATOM 252 CD1 ILE A 652 14.139 -11.402 1.377 1.00 46.54 C ATOM 253 H ILE A 652 16.956 -12.656 4.198 1.00 0.00 H ATOM 254 N PHE A 653 15.021 -15.047 4.438 1.00 27.03 N ATOM 255 CA PHE A 653 14.504 -16.395 4.249 1.00 26.16 C ATOM 256 C PHE A 653 14.923 -17.353 5.363 1.00 28.47 C ATOM 257 O PHE A 653 14.673 -18.559 5.254 1.00 26.71 O ATOM 258 CB PHE A 653 14.961 -16.940 2.891 1.00 28.20 C ATOM 259 CG PHE A 653 14.594 -16.059 1.713 1.00 30.14 C ATOM 260 CD1 PHE A 653 13.271 -15.913 1.311 1.00 27.79 C ATOM 261 CD2 PHE A 653 15.570 -15.366 1.021 1.00 33.87 C ATOM 262 CE1 PHE A 653 12.942 -15.121 0.220 1.00 23.77 C ATOM 263 CE2 PHE A 653 15.241 -14.555 -0.065 1.00 37.16 C ATOM 264 CZ PHE A 653 13.921 -14.448 -0.470 1.00 28.42 C ATOM 265 H PHE A 653 16.043 -14.888 4.327 1.00 0.00 H ATOM 266 N SER A 654 15.515 -16.846 6.452 1.00 29.74 N ATOM 267 CA SER A 654 16.087 -17.732 7.464 1.00 30.50 C ATOM 268 C SER A 654 15.034 -18.295 8.407 1.00 34.38 C ATOM 269 O SER A 654 15.234 -19.379 8.965 1.00 33.40 O ATOM 270 CB SER A 654 17.155 -17.002 8.271 1.00 35.72 C ATOM 271 OG SER A 654 18.171 -16.525 7.417 1.00 37.66 O ATOM 272 HG SER A 654 18.588 -17.288 6.943 1.00 0.00 H ATOM 273 H SER A 654 15.568 -15.815 6.578 1.00 0.00 H ATOM 274 N GLU A 655 13.937 -17.590 8.583 1.00 32.65 N ATOM 275 CA GLU A 655 12.867 -17.963 9.503 1.00 36.28 C ATOM 276 C GLU A 655 11.536 -17.788 8.812 1.00 32.30 C ATOM 277 O GLU A 655 11.419 -17.020 7.848 1.00 31.28 O ATOM 278 CB GLU A 655 12.941 -17.092 10.765 1.00 39.05 C ATOM 279 CG GLU A 655 13.990 -17.584 11.741 1.00 41.54 C ATOM 280 CD GLU A 655 14.455 -16.510 12.698 1.00 58.13 C ATOM 281 OE1 GLU A 655 13.713 -15.525 12.891 1.00 60.10 O ATOM 282 OE2 GLU A 655 15.555 -16.665 13.271 1.00 65.61 O ATOM 283 H GLU A 655 13.826 -16.714 8.033 1.00 0.00 H ATOM 284 N PRO A 656 10.495 -18.480 9.275 1.00 35.58 N ATOM 285 CA PRO A 656 9.163 -18.295 8.699 1.00 33.34 C ATOM 286 C PRO A 656 8.776 -16.822 8.625 1.00 37.14 C ATOM 287 O PRO A 656 9.192 -16.003 9.451 1.00 37.26 O ATOM 288 CB PRO A 656 8.252 -19.061 9.662 1.00 41.30 C ATOM 289 CG PRO A 656 9.136 -20.101 10.266 1.00 39.03 C ATOM 290 CD PRO A 656 10.485 -19.454 10.388 1.00 36.02 C ATOM 291 N VAL A 657 7.986 -16.493 7.609 1.00 36.04 N ATOM 292 CA VAL A 657 7.426 -15.152 7.458 1.00 41.86 C ATOM 293 C VAL A 657 6.532 -14.913 8.665 1.00 44.34 C ATOM 294 O VAL A 657 5.621 -15.713 8.919 1.00 37.53 O ATOM 295 CB VAL A 657 6.665 -15.026 6.128 1.00 39.41 C ATOM 296 CG1 VAL A 657 5.766 -13.806 6.120 1.00 35.70 C ATOM 297 CG2 VAL A 657 7.646 -14.981 4.975 1.00 30.64 C ATOM 298 H VAL A 657 7.758 -17.215 6.896 1.00 0.00 H ATOM 299 N PRO A 658 6.758 -13.861 9.458 1.00 44.35 N ATOM 300 CA PRO A 658 5.998 -13.715 10.709 1.00 49.56 C ATOM 301 C PRO A 658 4.549 -13.308 10.476 1.00 49.17 C ATOM 302 O PRO A 658 4.266 -12.186 10.047 1.00 44.74 O ATOM 303 CB PRO A 658 6.777 -12.634 11.470 1.00 48.75 C ATOM 304 CG PRO A 658 7.418 -11.816 10.406 1.00 51.10 C ATOM 305 CD PRO A 658 7.762 -12.792 9.292 1.00 52.65 C ATOM 306 N LEU A 659 3.622 -14.219 10.768 1.00 47.17 N ATOM 307 CA LEU A 659 2.208 -13.931 10.558 1.00 53.16 C ATOM 308 C LEU A 659 1.724 -12.762 11.401 1.00 52.39 C ATOM 309 O LEU A 659 0.740 -12.113 11.033 1.00 53.99 O ATOM 310 CB LEU A 659 1.375 -15.174 10.857 1.00 57.80 C ATOM 311 CG LEU A 659 2.039 -16.482 10.432 1.00 61.65 C ATOM 312 CD1 LEU A 659 1.170 -17.663 10.804 1.00 62.68 C ATOM 313 CD2 LEU A 659 2.336 -16.470 8.943 1.00 60.82 C ATOM 314 H LEU A 659 3.909 -15.143 11.149 1.00 0.00 H ATOM 315 N SER A 660 2.389 -12.475 12.522 1.00 57.59 N ATOM 316 CA SER A 660 2.014 -11.314 13.318 1.00 62.06 C ATOM 317 C SER A 660 2.155 -10.027 12.517 1.00 58.74 C ATOM 318 O SER A 660 1.343 -9.109 12.673 1.00 54.18 O ATOM 319 CB SER A 660 2.858 -11.255 14.593 1.00 62.75 C ATOM 320 OG SER A 660 4.121 -10.658 14.356 1.00 63.18 O ATOM 321 HG SER A 660 3.991 -9.734 14.024 1.00 0.00 H ATOM 322 H SER A 660 3.177 -13.081 12.828 1.00 0.00 H ATOM 323 N GLU A 661 3.161 -9.950 11.643 1.00 51.17 N ATOM 324 CA GLU A 661 3.343 -8.782 10.790 1.00 53.34 C ATOM 325 C GLU A 661 2.670 -8.935 9.435 1.00 51.66 C ATOM 326 O GLU A 661 2.279 -7.932 8.827 1.00 55.65 O ATOM 327 CB GLU A 661 4.833 -8.505 10.572 1.00 61.80 C ATOM 328 CG GLU A 661 5.707 -8.870 11.748 1.00 63.96 C ATOM 329 CD GLU A 661 5.468 -7.965 12.933 1.00 71.82 C ATOM 330 OE1 GLU A 661 5.341 -8.490 14.061 1.00 76.89 O ATOM 331 OE2 GLU A 661 5.402 -6.731 12.733 1.00 68.07 O ATOM 332 H GLU A 661 3.831 -10.742 11.569 1.00 0.00 H ATOM 333 N VAL A 662 2.544 -10.160 8.940 1.00 53.68 N ATOM 334 CA VAL A 662 1.913 -10.421 7.649 1.00 46.41 C ATOM 335 C VAL A 662 0.709 -11.322 7.882 1.00 47.83 C ATOM 336 O VAL A 662 0.771 -12.522 7.585 1.00 49.50 O ATOM 337 CB VAL A 662 2.901 -11.063 6.663 1.00 43.55 C ATOM 338 CG1 VAL A 662 2.346 -10.993 5.257 1.00 39.61 C ATOM 339 CG2 VAL A 662 4.266 -10.394 6.755 1.00 43.76 C ATOM 340 H VAL A 662 2.908 -10.963 9.491 1.00 0.00 H ATOM 341 N PRO A 663 -0.402 -10.800 8.407 1.00 54.92 N ATOM 342 CA PRO A 663 -1.493 -11.690 8.830 1.00 48.49 C ATOM 343 C PRO A 663 -2.198 -12.395 7.686 1.00 49.26 C ATOM 344 O PRO A 663 -2.748 -13.480 7.909 1.00 56.53 O ATOM 345 CB PRO A 663 -2.439 -10.751 9.592 1.00 54.71 C ATOM 346 CG PRO A 663 -2.157 -9.404 9.032 1.00 58.75 C ATOM 347 CD PRO A 663 -0.698 -9.384 8.680 1.00 55.93 C ATOM 348 N ASP A 664 -2.183 -11.847 6.472 1.00 48.22 N ATOM 349 CA ASP A 664 -2.843 -12.476 5.332 1.00 55.11 C ATOM 350 C ASP A 664 -1.951 -13.473 4.597 1.00 47.32 C ATOM 351 O ASP A 664 -2.332 -13.957 3.525 1.00 40.41 O ATOM 352 CB ASP A 664 -3.340 -11.407 4.351 1.00 62.81 C ATOM 353 CG ASP A 664 -2.215 -10.778 3.533 1.00 58.25 C ATOM 354 OD1 ASP A 664 -1.033 -10.862 3.937 1.00 56.18 O ATOM 355 OD2 ASP A 664 -2.521 -10.186 2.478 1.00 52.66 O ATOM 356 H ASP A 664 -1.686 -10.944 6.332 1.00 0.00 H ATOM 357 N TYR A 665 -0.779 -13.793 5.146 1.00 55.42 N ATOM 358 CA TYR A 665 0.194 -14.584 4.397 1.00 42.74 C ATOM 359 C TYR A 665 -0.374 -15.944 3.991 1.00 51.11 C ATOM 360 O TYR A 665 -0.243 -16.357 2.832 1.00 44.90 O ATOM 361 CB TYR A 665 1.473 -14.753 5.214 1.00 43.18 C ATOM 362 CG TYR A 665 2.622 -15.297 4.398 1.00 39.76 C ATOM 363 CD1 TYR A 665 3.163 -14.555 3.351 1.00 33.62 C ATOM 364 CD2 TYR A 665 3.167 -16.550 4.671 1.00 37.24 C ATOM 365 CE1 TYR A 665 4.212 -15.041 2.596 1.00 30.67 C ATOM 366 CE2 TYR A 665 4.223 -17.049 3.921 1.00 34.79 C ATOM 367 CZ TYR A 665 4.743 -16.290 2.880 1.00 37.65 C ATOM 368 OH TYR A 665 5.798 -16.785 2.125 1.00 32.46 O ATOM 369 HH TYR A 665 6.044 -16.124 1.431 1.00 0.00 H ATOM 370 H TYR A 665 -0.557 -13.478 6.112 1.00 0.00 H ATOM 371 N LEU A 666 -1.014 -16.654 4.930 1.00 48.77 N ATOM 372 CA LEU A 666 -1.539 -17.989 4.641 1.00 48.74 C ATOM 373 C LEU A 666 -2.756 -17.977 3.732 1.00 50.14 C ATOM 374 O LEU A 666 -3.149 -19.042 3.251 1.00 48.67 O ATOM 375 CB LEU A 666 -1.924 -18.734 5.918 1.00 57.29 C ATOM 376 CG LEU A 666 -0.808 -19.161 6.860 1.00 57.11 C ATOM 377 CD1 LEU A 666 0.413 -19.607 6.076 1.00 43.83 C ATOM 378 CD2 LEU A 666 -0.493 -18.012 7.772 1.00 60.99 C ATOM 379 H LEU A 666 -1.140 -16.250 5.880 1.00 0.00 H ATOM 380 N ASP A 667 -3.377 -16.819 3.506 1.00 54.33 N ATOM 381 CA ASP A 667 -4.486 -16.767 2.562 1.00 51.10 C ATOM 382 C ASP A 667 -4.018 -17.046 1.143 1.00 44.88 C ATOM 383 O ASP A 667 -4.780 -17.587 0.335 1.00 48.33 O ATOM 384 CB ASP A 667 -5.176 -15.408 2.642 1.00 61.06 C ATOM 385 CG ASP A 667 -5.887 -15.196 3.961 1.00 74.00 C ATOM 386 OD1 ASP A 667 -5.891 -16.132 4.791 1.00 79.44 O ATOM 387 OD2 ASP A 667 -6.439 -14.095 4.169 1.00 81.27 O ATOM 388 H ASP A 667 -3.071 -15.957 4.001 1.00 0.00 H ATOM 389 N HIS A 668 -2.764 -16.710 0.835 1.00 45.00 N ATOM 390 CA HIS A 668 -2.187 -16.857 -0.496 1.00 52.70 C ATOM 391 C HIS A 668 -1.137 -17.950 -0.598 1.00 47.41 C ATOM 392 O HIS A 668 -0.974 -18.530 -1.673 1.00 45.65 O ATOM 393 CB HIS A 668 -1.538 -15.540 -0.952 1.00 54.25 C ATOM 394 CG HIS A 668 -2.348 -14.321 -0.640 1.00 57.68 C ATOM 395 ND1 HIS A 668 -3.183 -13.727 -1.564 1.00 56.92 N ATOM 396 CD2 HIS A 668 -2.446 -13.578 0.488 1.00 57.97 C ATOM 397 CE1 HIS A 668 -3.762 -12.674 -1.016 1.00 57.51 C ATOM 398 NE2 HIS A 668 -3.334 -12.563 0.230 1.00 59.11 N ATOM 399 H HIS A 668 -2.163 -16.320 1.589 1.00 0.00 H ATOM 400 N ILE A 669 -0.408 -18.232 0.478 1.00 47.67 N ATOM 401 CA ILE A 669 0.702 -19.178 0.458 1.00 43.56 C ATOM 402 C ILE A 669 0.251 -20.439 1.178 1.00 43.02 C ATOM 403 O ILE A 669 0.033 -20.420 2.395 1.00 43.80 O ATOM 404 CB ILE A 669 1.960 -18.595 1.111 1.00 42.27 C ATOM 405 CG1 ILE A 669 2.294 -17.220 0.509 1.00 39.10 C ATOM 406 CG2 ILE A 669 3.100 -19.598 1.014 1.00 30.42 C ATOM 407 CD1 ILE A 669 2.271 -17.185 -1.024 1.00 33.87 C ATOM 408 H ILE A 669 -0.640 -17.757 1.374 1.00 0.00 H ATOM 409 N LYS A 670 0.131 -21.544 0.438 1.00 36.68 N ATOM 410 CA LYS A 670 -0.395 -22.775 1.014 1.00 46.12 C ATOM 411 C LYS A 670 0.672 -23.654 1.652 1.00 48.53 C ATOM 412 O LYS A 670 0.337 -24.487 2.498 1.00 42.42 O ATOM 413 CB LYS A 670 -1.156 -23.583 -0.045 1.00 48.55 C ATOM 414 CG LYS A 670 -0.438 -23.707 -1.380 1.00 63.95 C ATOM 415 CD LYS A 670 -0.814 -25.003 -2.090 1.00 65.49 C ATOM 416 CE LYS A 670 -0.296 -25.018 -3.517 1.00 55.46 C ATOM 417 H LYS A 670 0.416 -21.526 -0.562 1.00 0.00 H ATOM 418 N LYS A 671 1.945 -23.503 1.290 1.00 33.19 N ATOM 419 CA LYS A 671 3.006 -24.226 1.987 1.00 38.84 C ATOM 420 C LYS A 671 4.165 -23.284 2.249 1.00 28.96 C ATOM 421 O LYS A 671 5.101 -23.183 1.443 1.00 27.29 O ATOM 422 CB LYS A 671 3.467 -25.464 1.218 1.00 43.50 C ATOM 423 CG LYS A 671 4.302 -26.381 2.111 1.00 54.58 C ATOM 424 CD LYS A 671 4.813 -27.634 1.425 1.00 55.21 C ATOM 425 CE LYS A 671 5.680 -28.438 2.398 1.00 59.83 C ATOM 426 NZ LYS A 671 6.649 -29.353 1.721 1.00 58.19 N ATOM 427 HZ1 LYS A 671 6.128 -30.034 1.133 1.00 0.00 H ATOM 428 HZ2 LYS A 671 7.290 -28.795 1.122 1.00 0.00 H ATOM 429 HZ3 LYS A 671 7.201 -29.864 2.439 1.00 0.00 H ATOM 430 H LYS A 671 2.186 -22.865 0.505 1.00 0.00 H ATOM 431 N PRO A 672 4.138 -22.572 3.373 1.00 32.77 N ATOM 432 CA PRO A 672 5.274 -21.722 3.732 1.00 35.39 C ATOM 433 C PRO A 672 6.529 -22.562 3.894 1.00 36.83 C ATOM 434 O PRO A 672 6.474 -23.751 4.222 1.00 30.45 O ATOM 435 CB PRO A 672 4.850 -21.088 5.065 1.00 31.25 C ATOM 436 CG PRO A 672 3.387 -21.364 5.203 1.00 43.57 C ATOM 437 CD PRO A 672 3.100 -22.606 4.418 1.00 34.63 C ATOM 438 N MET A 673 7.672 -21.931 3.654 1.00 28.53 N ATOM 439 CA MET A 673 8.951 -22.605 3.807 1.00 26.45 C ATOM 440 C MET A 673 10.028 -21.552 4.052 1.00 30.62 C ATOM 441 O MET A 673 9.899 -20.403 3.621 1.00 27.80 O ATOM 442 CB MET A 673 9.261 -23.462 2.565 1.00 27.59 C ATOM 443 CG MET A 673 10.468 -24.365 2.661 1.00 27.04 C ATOM 444 SD MET A 673 10.471 -25.406 4.139 1.00 27.55 S ATOM 445 CE MET A 673 8.931 -26.274 3.909 1.00 27.17 C ATOM 446 H MET A 673 7.652 -20.936 3.351 1.00 0.00 H ATOM 447 N ASP A 674 11.083 -21.965 4.752 1.00 27.47 N ATOM 448 CA ASP A 674 12.168 -21.098 5.190 1.00 30.44 C ATOM 449 C ASP A 674 13.337 -21.992 5.575 1.00 26.30 C ATOM 450 O ASP A 674 13.187 -23.210 5.721 1.00 27.97 O ATOM 451 CB ASP A 674 11.746 -20.231 6.371 1.00 34.06 C ATOM 452 CG ASP A 674 11.474 -21.055 7.595 1.00 29.65 C ATOM 453 OD1 ASP A 674 10.329 -21.512 7.739 1.00 35.27 O ATOM 454 OD2 ASP A 674 12.414 -21.286 8.384 1.00 32.59 O ATOM 455 H ASP A 674 11.135 -22.973 5.002 1.00 0.00 H ATOM 456 N PHE A 675 14.512 -21.380 5.750 1.00 26.27 N ATOM 457 CA PHE A 675 15.700 -22.204 5.980 1.00 26.82 C ATOM 458 C PHE A 675 15.686 -22.886 7.343 1.00 29.05 C ATOM 459 O PHE A 675 16.245 -23.982 7.487 1.00 28.88 O ATOM 460 CB PHE A 675 16.969 -21.372 5.822 1.00 26.10 C ATOM 461 CG PHE A 675 17.270 -21.014 4.401 1.00 27.39 C ATOM 462 CD1 PHE A 675 17.147 -21.962 3.392 1.00 27.16 C ATOM 463 CD2 PHE A 675 17.650 -19.729 4.065 1.00 24.63 C ATOM 464 CE1 PHE A 675 17.418 -21.639 2.073 1.00 24.70 C ATOM 465 CE2 PHE A 675 17.923 -19.396 2.751 1.00 30.62 C ATOM 466 CZ PHE A 675 17.814 -20.343 1.754 1.00 23.95 C ATOM 467 H PHE A 675 14.581 -20.343 5.723 1.00 0.00 H ATOM 468 N PHE A 676 15.091 -22.259 8.359 1.00 29.30 N ATOM 469 CA PHE A 676 15.026 -22.912 9.663 1.00 31.07 C ATOM 470 C PHE A 676 14.139 -24.150 9.597 1.00 32.15 C ATOM 471 O PHE A 676 14.521 -25.227 10.067 1.00 32.94 O ATOM 472 CB PHE A 676 14.518 -21.940 10.726 1.00 32.92 C ATOM 473 CG PHE A 676 14.411 -22.550 12.095 1.00 45.90 C ATOM 474 CD1 PHE A 676 13.174 -22.843 12.644 1.00 53.95 C ATOM 475 CD2 PHE A 676 15.551 -22.848 12.825 1.00 51.05 C ATOM 476 CE1 PHE A 676 13.073 -23.411 13.902 1.00 56.44 C ATOM 477 CE2 PHE A 676 15.458 -23.420 14.084 1.00 57.40 C ATOM 478 CZ PHE A 676 14.218 -23.699 14.622 1.00 57.13 C ATOM 479 H PHE A 676 14.678 -21.314 8.223 1.00 0.00 H ATOM 480 N THR A 677 12.957 -24.015 8.992 1.00 32.45 N ATOM 481 CA THR A 677 12.089 -25.172 8.782 1.00 36.97 C ATOM 482 C THR A 677 12.778 -26.248 7.950 1.00 33.86 C ATOM 483 O THR A 677 12.627 -27.445 8.229 1.00 31.39 O ATOM 484 CB THR A 677 10.783 -24.724 8.123 1.00 31.13 C ATOM 485 OG1 THR A 677 10.101 -23.807 8.991 1.00 32.20 O ATOM 486 CG2 THR A 677 9.875 -25.920 7.789 1.00 30.89 C ATOM 487 HG1 THR A 677 9.901 -24.255 9.851 1.00 0.00 H ATOM 488 H THR A 677 12.650 -23.076 8.666 1.00 0.00 H ATOM 489 N MET A 678 13.540 -25.848 6.924 1.00 29.36 N ATOM 490 CA MET A 678 14.274 -26.830 6.133 1.00 30.28 C ATOM 491 C MET A 678 15.266 -27.595 6.999 1.00 28.27 C ATOM 492 O MET A 678 15.435 -28.813 6.843 1.00 28.21 O ATOM 493 CB MET A 678 14.995 -26.148 4.971 1.00 27.28 C ATOM 494 CG MET A 678 14.089 -25.834 3.788 1.00 24.50 C ATOM 495 SD MET A 678 15.034 -25.330 2.321 1.00 23.78 S ATOM 496 CE MET A 678 15.840 -26.867 1.847 1.00 22.86 C ATOM 497 H MET A 678 13.609 -24.837 6.691 1.00 0.00 H ATOM 498 N LYS A 679 15.930 -26.895 7.922 1.00 28.82 N ATOM 499 CA LYS A 679 16.848 -27.562 8.840 1.00 36.58 C ATOM 500 C LYS A 679 16.111 -28.602 9.695 1.00 34.79 C ATOM 501 O LYS A 679 16.623 -29.703 9.909 1.00 32.16 O ATOM 502 CB LYS A 679 17.550 -26.526 9.725 1.00 33.03 C ATOM 503 CG LYS A 679 18.589 -27.107 10.670 1.00 37.60 C ATOM 504 CD LYS A 679 19.647 -27.903 9.923 1.00 43.41 C ATOM 505 CE LYS A 679 20.981 -27.880 10.657 1.00 50.13 C ATOM 506 NZ LYS A 679 21.312 -29.229 11.215 1.00 49.98 N ATOM 507 HZ1 LYS A 679 20.569 -29.518 11.883 1.00 0.00 H ATOM 508 HZ2 LYS A 679 21.370 -29.919 10.439 1.00 0.00 H ATOM 509 HZ3 LYS A 679 22.226 -29.184 11.710 1.00 0.00 H ATOM 510 H LYS A 679 15.792 -25.866 7.987 1.00 0.00 H ATOM 511 N GLN A 680 14.918 -28.253 10.179 1.00 33.85 N ATOM 512 CA GLN A 680 14.127 -29.215 10.951 1.00 37.94 C ATOM 513 C GLN A 680 13.744 -30.415 10.099 1.00 36.68 C ATOM 514 O GLN A 680 13.830 -31.562 10.557 1.00 34.70 O ATOM 515 CB GLN A 680 12.869 -28.548 11.510 1.00 39.57 C ATOM 516 CG GLN A 680 13.098 -27.190 12.144 1.00 41.55 C ATOM 517 CD GLN A 680 14.236 -27.204 13.136 1.00 43.05 C ATOM 518 OE1 GLN A 680 14.164 -27.863 14.171 1.00 42.96 O ATOM 519 NE2 GLN A 680 15.302 -26.473 12.822 1.00 49.18 N ATOM 520 HE22 GLN A 680 15.318 -25.931 11.934 1.00 0.00 H ATOM 521 HE21 GLN A 680 16.120 -26.443 13.464 1.00 0.00 H ATOM 522 H GLN A 680 14.548 -27.296 10.008 1.00 0.00 H ATOM 523 N ASN A 681 13.311 -30.175 8.859 1.00 32.16 N ATOM 524 CA ASN A 681 12.924 -31.268 7.973 1.00 37.90 C ATOM 525 C ASN A 681 14.110 -32.185 7.688 1.00 35.81 C ATOM 526 O ASN A 681 13.981 -33.413 7.714 1.00 39.22 O ATOM 527 CB ASN A 681 12.360 -30.716 6.658 1.00 35.31 C ATOM 528 CG ASN A 681 11.042 -29.975 6.836 1.00 36.28 C ATOM 529 OD1 ASN A 681 10.378 -30.101 7.857 1.00 36.83 O ATOM 530 ND2 ASN A 681 10.650 -29.209 5.813 1.00 34.40 N ATOM 531 HD22 ASN A 681 11.246 -29.131 4.964 1.00 0.00 H ATOM 532 HD21 ASN A 681 9.749 -28.692 5.866 1.00 0.00 H ATOM 533 H ASN A 681 13.249 -29.194 8.519 1.00 0.00 H ATOM 534 N LEU A 682 15.271 -31.587 7.387 1.00 33.88 N ATOM 535 CA LEU A 682 16.504 -32.345 7.189 1.00 30.17 C ATOM 536 C LEU A 682 16.719 -33.340 8.323 1.00 36.36 C ATOM 537 O LEU A 682 16.922 -34.539 8.090 1.00 35.33 O ATOM 538 CB LEU A 682 17.691 -31.379 7.086 1.00 29.38 C ATOM 539 CG LEU A 682 18.998 -31.842 6.421 1.00 28.96 C ATOM 540 CD1 LEU A 682 19.910 -30.647 6.071 1.00 28.08 C ATOM 541 CD2 LEU A 682 19.747 -32.851 7.295 1.00 31.35 C ATOM 542 H LEU A 682 15.295 -30.552 7.291 1.00 0.00 H ATOM 543 N GLU A 683 16.671 -32.857 9.564 1.00 33.29 N ATOM 544 CA GLU A 683 16.958 -33.747 10.682 1.00 42.00 C ATOM 545 C GLU A 683 15.836 -34.760 10.901 1.00 44.51 C ATOM 546 O GLU A 683 16.086 -35.853 11.416 1.00 50.39 O ATOM 547 CB GLU A 683 17.226 -32.925 11.945 1.00 36.55 C ATOM 548 CG GLU A 683 18.352 -31.878 11.795 1.00 36.34 C ATOM 549 CD GLU A 683 19.710 -32.477 11.438 1.00 43.46 C ATOM 550 OE1 GLU A 683 20.618 -31.723 11.022 1.00 45.49 O ATOM 551 OE2 GLU A 683 19.890 -33.702 11.583 1.00 42.07 O ATOM 552 H GLU A 683 16.432 -31.859 9.732 1.00 0.00 H ATOM 553 N ALA A 684 14.608 -34.439 10.497 1.00 44.20 N ATOM 554 CA ALA A 684 13.494 -35.380 10.567 1.00 47.20 C ATOM 555 C ALA A 684 13.456 -36.356 9.382 1.00 50.35 C ATOM 556 O ALA A 684 12.415 -37.001 9.160 1.00 37.81 O ATOM 557 CB ALA A 684 12.168 -34.619 10.660 1.00 43.31 C ATOM 558 H ALA A 684 14.437 -33.485 10.119 1.00 0.00 H ATOM 559 N TYR A 685 14.552 -36.437 8.616 1.00 44.65 N ATOM 560 CA TYR A 685 14.730 -37.412 7.538 1.00 44.82 C ATOM 561 C TYR A 685 13.731 -37.222 6.420 1.00 46.70 C ATOM 562 O TYR A 685 13.381 -38.171 5.710 1.00 52.04 O ATOM 563 CB TYR A 685 14.654 -38.848 8.058 1.00 39.81 C ATOM 564 CG TYR A 685 15.681 -39.106 9.111 1.00 39.76 C ATOM 565 CD1 TYR A 685 17.028 -39.152 8.784 1.00 41.77 C ATOM 566 CD2 TYR A 685 15.314 -39.282 10.435 1.00 52.67 C ATOM 567 CE1 TYR A 685 17.982 -39.389 9.745 1.00 46.70 C ATOM 568 CE2 TYR A 685 16.259 -39.519 11.404 1.00 58.26 C ATOM 569 CZ TYR A 685 17.589 -39.571 11.055 1.00 53.04 C ATOM 570 OH TYR A 685 18.532 -39.808 12.018 1.00 56.18 O ATOM 571 HH TYR A 685 19.431 -39.814 11.604 1.00 0.00 H ATOM 572 H TYR A 685 15.325 -35.765 8.798 1.00 0.00 H ATOM 573 N ARG A 686 13.256 -36.009 6.234 1.00 38.44 N ATOM 574 CA ARG A 686 12.289 -35.868 5.173 1.00 37.13 C ATOM 575 C ARG A 686 12.957 -35.586 3.831 1.00 32.08 C ATOM 576 O ARG A 686 12.282 -35.633 2.796 1.00 33.20 O ATOM 577 CB ARG A 686 11.257 -34.809 5.578 1.00 55.11 C ATOM 578 CG ARG A 686 9.961 -34.880 4.774 1.00 73.91 C ATOM 579 CD ARG A 686 9.606 -36.348 4.496 1.00 85.10 C ATOM 580 NE ARG A 686 8.567 -36.479 3.484 1.00 94.07 N ATOM 581 CZ ARG A 686 8.750 -36.197 2.188 1.00 96.91 C ATOM 582 NH1 ARG A 686 7.750 -36.382 1.332 1.00100.80 N ATOM 583 NH2 ARG A 686 9.934 -35.740 1.715 1.00 91.61 N ATOM 584 HE ARG A 686 7.629 -36.811 3.785 1.00 0.00 H ATOM 585 HH12 ARG A 686 7.882 -36.166 0.323 1.00 0.00 H ATOM 586 HH11 ARG A 686 6.835 -36.743 1.671 1.00 0.00 H ATOM 587 HH22 ARG A 686 10.043 -35.530 0.702 1.00 0.00 H ATOM 588 HH21 ARG A 686 10.734 -35.599 2.365 1.00 0.00 H ATOM 589 H ARG A 686 13.559 -35.202 6.816 1.00 0.00 H ATOM 590 N TYR A 687 14.285 -35.383 3.813 1.00 30.61 N ATOM 591 CA TYR A 687 15.075 -35.251 2.583 1.00 28.56 C ATOM 592 C TYR A 687 16.006 -36.459 2.451 1.00 34.46 C ATOM 593 O TYR A 687 17.139 -36.450 2.942 1.00 29.60 O ATOM 594 CB TYR A 687 15.900 -33.957 2.570 1.00 27.28 C ATOM 595 CG TYR A 687 15.124 -32.692 2.852 1.00 27.83 C ATOM 596 CD1 TYR A 687 13.906 -32.444 2.231 1.00 26.35 C ATOM 597 CD2 TYR A 687 15.626 -31.739 3.729 1.00 26.61 C ATOM 598 CE1 TYR A 687 13.196 -31.295 2.500 1.00 27.92 C ATOM 599 CE2 TYR A 687 14.938 -30.592 3.999 1.00 26.75 C ATOM 600 CZ TYR A 687 13.724 -30.368 3.382 1.00 29.74 C ATOM 601 OH TYR A 687 13.051 -29.207 3.664 1.00 25.85 O ATOM 602 HH TYR A 687 12.204 -29.185 3.152 1.00 0.00 H ATOM 603 H TYR A 687 14.782 -35.315 4.724 1.00 0.00 H ATOM 604 N LEU A 688 15.538 -37.490 1.757 1.00 30.16 N ATOM 605 CA LEU A 688 16.343 -38.672 1.493 1.00 31.19 C ATOM 606 C LEU A 688 16.847 -38.709 0.060 1.00 31.39 C ATOM 607 O LEU A 688 17.449 -39.703 -0.354 1.00 31.52 O ATOM 608 CB LEU A 688 15.539 -39.938 1.817 1.00 33.04 C ATOM 609 CG LEU A 688 14.985 -39.986 3.244 1.00 34.12 C ATOM 610 CD1 LEU A 688 14.197 -41.287 3.493 1.00 36.23 C ATOM 611 CD2 LEU A 688 16.103 -39.811 4.277 1.00 34.37 C ATOM 612 H LEU A 688 14.565 -37.451 1.391 1.00 0.00 H ATOM 613 N ASN A 689 16.597 -37.649 -0.706 1.00 29.03 N ATOM 614 CA ASN A 689 17.121 -37.495 -2.048 1.00 28.43 C ATOM 615 C ASN A 689 17.232 -36.003 -2.322 1.00 26.78 C ATOM 616 O ASN A 689 16.613 -35.173 -1.645 1.00 26.17 O ATOM 617 CB ASN A 689 16.246 -38.209 -3.103 1.00 29.10 C ATOM 618 CG ASN A 689 14.798 -37.761 -3.079 1.00 28.80 C ATOM 619 OD1 ASN A 689 14.495 -36.622 -3.416 1.00 28.64 O ATOM 620 ND2 ASN A 689 13.879 -38.684 -2.726 1.00 30.21 N ATOM 621 HD22 ASN A 689 14.182 -39.639 -2.447 1.00 0.00 H ATOM 622 HD21 ASN A 689 12.868 -38.440 -2.733 1.00 0.00 H ATOM 623 H ASN A 689 15.995 -36.893 -0.321 1.00 0.00 H ATOM 624 N PHE A 690 18.067 -35.661 -3.298 1.00 26.29 N ATOM 625 CA PHE A 690 18.311 -34.251 -3.561 1.00 24.95 C ATOM 626 C PHE A 690 17.051 -33.538 -4.039 1.00 24.18 C ATOM 627 O PHE A 690 16.834 -32.374 -3.692 1.00 23.96 O ATOM 628 CB PHE A 690 19.428 -34.109 -4.582 1.00 26.42 C ATOM 629 CG PHE A 690 20.173 -32.838 -4.448 1.00 29.95 C ATOM 630 CD1 PHE A 690 21.146 -32.706 -3.478 1.00 32.05 C ATOM 631 CD2 PHE A 690 19.874 -31.761 -5.260 1.00 30.93 C ATOM 632 CE1 PHE A 690 21.826 -31.522 -3.331 1.00 30.03 C ATOM 633 CE2 PHE A 690 20.553 -30.554 -5.118 1.00 27.86 C ATOM 634 CZ PHE A 690 21.536 -30.442 -4.156 1.00 30.11 C ATOM 635 H PHE A 690 18.540 -36.392 -3.867 1.00 0.00 H ATOM 636 N ASP A 691 16.187 -34.241 -4.793 1.00 24.75 N ATOM 637 CA ASP A 691 15.008 -33.601 -5.374 1.00 24.24 C ATOM 638 C ASP A 691 14.107 -33.007 -4.305 1.00 24.41 C ATOM 639 O ASP A 691 13.587 -31.901 -4.468 1.00 23.17 O ATOM 640 CB ASP A 691 14.200 -34.600 -6.211 1.00 33.45 C ATOM 641 CG ASP A 691 14.756 -34.793 -7.600 1.00 39.25 C ATOM 642 OD1 ASP A 691 15.676 -34.060 -7.984 1.00 36.45 O ATOM 643 OD2 ASP A 691 14.251 -35.672 -8.322 1.00 48.59 O ATOM 644 H ASP A 691 16.360 -35.252 -4.965 1.00 0.00 H ATOM 645 N ASP A 692 13.886 -33.731 -3.212 1.00 24.85 N ATOM 646 CA ASP A 692 12.971 -33.221 -2.197 1.00 29.03 C ATOM 647 C ASP A 692 13.570 -32.044 -1.438 1.00 26.89 C ATOM 648 O ASP A 692 12.839 -31.147 -1.003 1.00 25.85 O ATOM 649 CB ASP A 692 12.610 -34.313 -1.211 1.00 26.40 C ATOM 650 CG ASP A 692 11.812 -35.425 -1.858 1.00 35.10 C ATOM 651 OD1 ASP A 692 12.010 -36.585 -1.445 1.00 28.83 O ATOM 652 OD2 ASP A 692 11.035 -35.128 -2.809 1.00 27.72 O ATOM 653 H ASP A 692 14.359 -34.648 -3.083 1.00 0.00 H ATOM 654 N PHE A 693 14.876 -32.089 -1.188 1.00 23.96 N ATOM 655 CA PHE A 693 15.592 -30.931 -0.645 1.00 25.54 C ATOM 656 C PHE A 693 15.394 -29.709 -1.532 1.00 28.81 C ATOM 657 O PHE A 693 14.941 -28.652 -1.073 1.00 21.92 O ATOM 658 CB PHE A 693 17.075 -31.278 -0.522 1.00 23.49 C ATOM 659 CG PHE A 693 17.942 -30.171 0.071 1.00 23.15 C ATOM 660 CD1 PHE A 693 18.811 -29.460 -0.744 1.00 24.11 C ATOM 661 CD2 PHE A 693 17.934 -29.901 1.438 1.00 23.78 C ATOM 662 CE1 PHE A 693 19.638 -28.452 -0.219 1.00 25.43 C ATOM 663 CE2 PHE A 693 18.763 -28.906 1.976 1.00 23.74 C ATOM 664 CZ PHE A 693 19.613 -28.185 1.145 1.00 23.07 C ATOM 665 H PHE A 693 15.401 -32.966 -1.382 1.00 0.00 H ATOM 666 N GLU A 694 15.731 -29.843 -2.819 1.00 21.81 N ATOM 667 CA GLU A 694 15.627 -28.744 -3.770 1.00 23.82 C ATOM 668 C GLU A 694 14.189 -28.248 -3.897 1.00 21.55 C ATOM 669 O GLU A 694 13.962 -27.048 -4.086 1.00 20.31 O ATOM 670 CB GLU A 694 16.176 -29.191 -5.129 1.00 24.89 C ATOM 671 CG GLU A 694 16.147 -28.110 -6.209 1.00 27.75 C ATOM 672 CD GLU A 694 17.301 -28.213 -7.205 1.00 41.49 C ATOM 673 OE1 GLU A 694 18.038 -29.212 -7.159 1.00 44.54 O ATOM 674 OE2 GLU A 694 17.459 -27.295 -8.041 1.00 43.65 O ATOM 675 H GLU A 694 16.080 -30.764 -3.153 1.00 0.00 H ATOM 676 N GLU A 695 13.210 -29.142 -3.743 1.00 24.81 N ATOM 677 CA GLU A 695 11.807 -28.742 -3.838 1.00 23.87 C ATOM 678 C GLU A 695 11.436 -27.726 -2.760 1.00 28.87 C ATOM 679 O GLU A 695 10.800 -26.704 -3.047 1.00 25.22 O ATOM 680 CB GLU A 695 10.915 -29.977 -3.741 1.00 33.34 C ATOM 681 CG GLU A 695 9.416 -29.685 -3.713 1.00 34.78 C ATOM 682 CD GLU A 695 8.599 -30.965 -3.585 1.00 40.65 C ATOM 683 OE1 GLU A 695 8.005 -31.207 -2.513 1.00 44.71 O ATOM 684 OE2 GLU A 695 8.581 -31.736 -4.560 1.00 36.65 O ATOM 685 H GLU A 695 13.448 -30.136 -3.553 1.00 0.00 H ATOM 686 N ASP A 696 11.825 -27.987 -1.509 1.00 24.59 N ATOM 687 CA ASP A 696 11.560 -27.020 -0.446 1.00 22.51 C ATOM 688 C ASP A 696 12.366 -25.730 -0.616 1.00 21.68 C ATOM 689 O ASP A 696 11.879 -24.661 -0.240 1.00 21.82 O ATOM 690 CB ASP A 696 11.828 -27.621 0.925 1.00 23.49 C ATOM 691 CG ASP A 696 10.650 -28.437 1.442 1.00 35.84 C ATOM 692 OD1 ASP A 696 10.746 -29.032 2.536 1.00 27.47 O ATOM 693 OD2 ASP A 696 9.610 -28.447 0.767 1.00 30.97 O ATOM 694 H ASP A 696 12.316 -28.878 -1.292 1.00 0.00 H ATOM 695 N PHE A 697 13.577 -25.792 -1.170 1.00 22.27 N ATOM 696 CA PHE A 697 14.264 -24.536 -1.494 1.00 20.46 C ATOM 697 C PHE A 697 13.484 -23.755 -2.540 1.00 28.39 C ATOM 698 O PHE A 697 13.290 -22.543 -2.405 1.00 19.96 O ATOM 699 CB PHE A 697 15.692 -24.786 -1.986 1.00 20.14 C ATOM 700 CG PHE A 697 16.326 -23.574 -2.617 1.00 19.69 C ATOM 701 CD1 PHE A 697 16.913 -22.593 -1.827 1.00 20.78 C ATOM 702 CD2 PHE A 697 16.314 -23.405 -3.994 1.00 21.35 C ATOM 703 CE1 PHE A 697 17.496 -21.468 -2.408 1.00 24.23 C ATOM 704 CE2 PHE A 697 16.882 -22.274 -4.585 1.00 19.03 C ATOM 705 CZ PHE A 697 17.478 -21.313 -3.785 1.00 21.88 C ATOM 706 H PHE A 697 14.025 -26.710 -1.368 1.00 0.00 H ATOM 707 N ASN A 698 13.005 -24.442 -3.582 1.00 24.29 N ATOM 708 CA ASN A 698 12.224 -23.771 -4.613 1.00 21.52 C ATOM 709 C ASN A 698 10.948 -23.152 -4.043 1.00 27.72 C ATOM 710 O ASN A 698 10.495 -22.110 -4.534 1.00 20.69 O ATOM 711 CB ASN A 698 11.878 -24.756 -5.746 1.00 19.69 C ATOM 712 CG ASN A 698 13.082 -25.122 -6.622 1.00 20.40 C ATOM 713 OD1 ASN A 698 14.120 -24.466 -6.601 1.00 19.63 O ATOM 714 ND2 ASN A 698 12.922 -26.182 -7.414 1.00 24.53 N ATOM 715 HD22 ASN A 698 12.026 -26.710 -7.401 1.00 0.00 H ATOM 716 HD21 ASN A 698 13.693 -26.481 -8.045 1.00 0.00 H ATOM 717 H ASN A 698 13.191 -25.462 -3.657 1.00 0.00 H ATOM 718 N LEU A 699 10.349 -23.776 -3.015 1.00 20.84 N ATOM 719 CA LEU A 699 9.188 -23.169 -2.359 1.00 21.63 C ATOM 720 C LEU A 699 9.547 -21.827 -1.716 1.00 24.03 C ATOM 721 O LEU A 699 8.745 -20.887 -1.744 1.00 22.08 O ATOM 722 CB LEU A 699 8.624 -24.096 -1.293 1.00 26.33 C ATOM 723 CG LEU A 699 7.539 -25.083 -1.674 1.00 42.95 C ATOM 724 CD1 LEU A 699 7.164 -25.886 -0.426 1.00 35.17 C ATOM 725 CD2 LEU A 699 6.336 -24.335 -2.266 1.00 37.16 C ATOM 726 H LEU A 699 10.711 -24.693 -2.684 1.00 0.00 H ATOM 727 N ILE A 700 10.722 -21.735 -1.086 1.00 21.46 N ATOM 728 CA ILE A 700 11.127 -20.456 -0.489 1.00 21.73 C ATOM 729 C ILE A 700 11.095 -19.363 -1.544 1.00 22.38 C ATOM 730 O ILE A 700 10.568 -18.264 -1.324 1.00 21.78 O ATOM 731 CB ILE A 700 12.522 -20.574 0.152 1.00 21.68 C ATOM 732 CG1 ILE A 700 12.500 -21.568 1.321 1.00 22.48 C ATOM 733 CG2 ILE A 700 13.021 -19.196 0.643 1.00 22.13 C ATOM 734 CD1 ILE A 700 13.872 -21.818 1.909 1.00 22.58 C ATOM 735 H ILE A 700 11.346 -22.564 -1.019 1.00 0.00 H ATOM 736 N VAL A 701 11.616 -19.672 -2.730 1.00 20.35 N ATOM 737 CA VAL A 701 11.680 -18.700 -3.816 1.00 21.21 C ATOM 738 C VAL A 701 10.282 -18.407 -4.376 1.00 20.32 C ATOM 739 O VAL A 701 9.894 -17.244 -4.533 1.00 20.68 O ATOM 740 CB VAL A 701 12.629 -19.216 -4.911 1.00 22.51 C ATOM 741 CG1 VAL A 701 12.523 -18.372 -6.191 1.00 19.14 C ATOM 742 CG2 VAL A 701 14.082 -19.323 -4.364 1.00 19.23 C ATOM 743 H VAL A 701 11.987 -20.631 -2.886 1.00 0.00 H ATOM 744 N SER A 702 9.511 -19.454 -4.697 1.00 20.39 N ATOM 745 CA SER A 702 8.246 -19.220 -5.393 1.00 23.08 C ATOM 746 C SER A 702 7.204 -18.566 -4.461 1.00 23.10 C ATOM 747 O SER A 702 6.443 -17.708 -4.919 1.00 22.37 O ATOM 748 CB SER A 702 7.711 -20.525 -5.985 1.00 22.93 C ATOM 749 OG SER A 702 7.339 -21.441 -4.975 1.00 21.49 O ATOM 750 HG SER A 702 6.631 -21.040 -4.412 1.00 0.00 H ATOM 751 H SER A 702 9.808 -20.421 -4.455 1.00 0.00 H ATOM 752 N ASN A 703 7.189 -18.949 -3.188 1.00 22.42 N ATOM 753 CA ASN A 703 6.314 -18.248 -2.242 1.00 23.69 C ATOM 754 C ASN A 703 6.600 -16.749 -2.269 1.00 23.84 C ATOM 755 O ASN A 703 5.681 -15.923 -2.207 1.00 24.84 O ATOM 756 CB ASN A 703 6.518 -18.773 -0.816 1.00 24.39 C ATOM 757 CG ASN A 703 5.980 -20.182 -0.607 1.00 26.00 C ATOM 758 OD1 ASN A 703 6.279 -20.821 0.403 1.00 33.41 O ATOM 759 ND2 ASN A 703 5.191 -20.662 -1.538 1.00 24.80 N ATOM 760 HD22 ASN A 703 4.965 -20.088 -2.375 1.00 0.00 H ATOM 761 HD21 ASN A 703 4.791 -21.617 -1.439 1.00 0.00 H ATOM 762 H ASN A 703 7.790 -19.735 -2.867 1.00 0.00 H ATOM 763 N CYS A 704 7.878 -16.383 -2.345 1.00 23.06 N ATOM 764 CA CYS A 704 8.258 -14.978 -2.262 1.00 23.45 C ATOM 765 C CYS A 704 7.935 -14.238 -3.554 1.00 23.22 C ATOM 766 O CYS A 704 7.499 -13.078 -3.521 1.00 24.81 O ATOM 767 CB CYS A 704 9.742 -14.871 -1.920 1.00 22.96 C ATOM 768 SG CYS A 704 10.293 -13.199 -1.514 1.00 23.90 S ATOM 769 H CYS A 704 8.614 -17.108 -2.465 1.00 0.00 H ATOM 770 N LEU A 705 8.132 -14.888 -4.706 1.00 22.27 N ATOM 771 CA LEU A 705 7.733 -14.261 -5.958 1.00 22.29 C ATOM 772 C LEU A 705 6.222 -14.112 -6.007 1.00 23.27 C ATOM 773 O LEU A 705 5.701 -13.091 -6.480 1.00 23.96 O ATOM 774 CB LEU A 705 8.238 -15.093 -7.141 1.00 21.36 C ATOM 775 CG LEU A 705 9.754 -15.293 -7.267 1.00 20.59 C ATOM 776 CD1 LEU A 705 10.026 -16.277 -8.405 1.00 20.02 C ATOM 777 CD2 LEU A 705 10.444 -13.954 -7.526 1.00 20.86 C ATOM 778 H LEU A 705 8.566 -15.833 -4.708 1.00 0.00 H ATOM 779 N LYS A 706 5.512 -15.115 -5.484 1.00 23.56 N ATOM 780 CA LYS A 706 4.054 -15.102 -5.515 1.00 24.74 C ATOM 781 C LYS A 706 3.483 -13.984 -4.644 1.00 26.09 C ATOM 782 O LYS A 706 2.631 -13.212 -5.095 1.00 27.04 O ATOM 783 CB LYS A 706 3.506 -16.464 -5.074 1.00 24.99 C ATOM 784 CG LYS A 706 1.989 -16.492 -5.005 1.00 26.53 C ATOM 785 CD LYS A 706 1.442 -17.900 -4.787 1.00 31.28 C ATOM 786 CE LYS A 706 -0.093 -17.840 -4.652 1.00 40.71 C ATOM 787 NZ LYS A 706 -0.696 -19.126 -4.183 1.00 39.41 N ATOM 788 HZ1 LYS A 706 -0.470 -19.881 -4.861 1.00 0.00 H ATOM 789 HZ2 LYS A 706 -0.308 -19.369 -3.249 1.00 0.00 H ATOM 790 HZ3 LYS A 706 -1.728 -19.019 -4.114 1.00 0.00 H ATOM 791 H LYS A 706 6.007 -15.919 -5.047 1.00 0.00 H ATOM 792 N TYR A 707 3.927 -13.885 -3.388 1.00 26.42 N ATOM 793 CA TYR A 707 3.245 -12.990 -2.451 1.00 28.12 C ATOM 794 C TYR A 707 3.593 -11.522 -2.689 1.00 28.51 C ATOM 795 O TYR A 707 2.736 -10.649 -2.524 1.00 30.04 O ATOM 796 CB TYR A 707 3.567 -13.373 -1.005 1.00 28.70 C ATOM 797 CG TYR A 707 2.857 -12.483 0.002 1.00 30.79 C ATOM 798 CD1 TYR A 707 1.548 -12.756 0.399 1.00 32.87 C ATOM 799 CD2 TYR A 707 3.483 -11.358 0.531 1.00 31.42 C ATOM 800 CE1 TYR A 707 0.884 -11.936 1.303 1.00 34.61 C ATOM 801 CE2 TYR A 707 2.823 -10.528 1.433 1.00 35.63 C ATOM 802 CZ TYR A 707 1.524 -10.830 1.816 1.00 37.27 C ATOM 803 OH TYR A 707 0.858 -10.026 2.711 1.00 43.27 O ATOM 804 HH TYR A 707 -0.049 -10.389 2.867 1.00 0.00 H ATOM 805 H TYR A 707 4.751 -14.439 -3.078 1.00 0.00 H ATOM 806 N ASN A 708 4.836 -11.227 -3.067 1.00 27.39 N ATOM 807 CA ASN A 708 5.341 -9.858 -3.107 1.00 27.97 C ATOM 808 C ASN A 708 5.245 -9.250 -4.505 1.00 27.68 C ATOM 809 O ASN A 708 5.450 -9.936 -5.511 1.00 26.49 O ATOM 810 CB ASN A 708 6.791 -9.829 -2.630 1.00 27.31 C ATOM 811 CG ASN A 708 6.942 -10.342 -1.210 1.00 29.50 C ATOM 812 OD1 ASN A 708 6.585 -9.656 -0.264 1.00 29.45 O ATOM 813 ND2 ASN A 708 7.462 -11.560 -1.061 1.00 26.73 N ATOM 814 HD22 ASN A 708 7.752 -12.107 -1.896 1.00 0.00 H ATOM 815 HD21 ASN A 708 7.578 -11.963 -0.109 1.00 0.00 H ATOM 816 H ASN A 708 5.471 -12.002 -3.344 1.00 0.00 H ATOM 817 N ALA A 709 4.958 -7.950 -4.563 1.00 28.97 N ATOM 818 CA ALA A 709 4.890 -7.273 -5.850 1.00 28.97 C ATOM 819 C ALA A 709 6.275 -7.216 -6.492 1.00 27.82 C ATOM 820 O ALA A 709 7.305 -7.270 -5.812 1.00 27.46 O ATOM 821 CB ALA A 709 4.314 -5.864 -5.695 1.00 30.86 C ATOM 822 H ALA A 709 4.782 -7.418 -3.687 1.00 0.00 H ATOM 823 N LYS A 710 6.292 -7.107 -7.823 1.00 27.46 N ATOM 824 CA LYS A 710 7.559 -7.186 -8.544 1.00 27.07 C ATOM 825 C LYS A 710 8.501 -6.054 -8.173 1.00 30.46 C ATOM 826 O LYS A 710 9.720 -6.211 -8.295 1.00 35.77 O ATOM 827 CB LYS A 710 7.337 -7.179 -10.060 1.00 27.91 C ATOM 828 CG LYS A 710 6.883 -8.514 -10.632 1.00 29.23 C ATOM 829 CD LYS A 710 6.790 -8.469 -12.152 1.00 33.88 C ATOM 830 CE LYS A 710 8.093 -8.922 -12.804 1.00 24.80 C ATOM 831 NZ LYS A 710 8.040 -8.749 -14.266 1.00 25.30 N ATOM 832 HZ1 LYS A 710 7.258 -9.316 -14.653 1.00 0.00 H ATOM 833 HZ2 LYS A 710 7.886 -7.745 -14.490 1.00 0.00 H ATOM 834 HZ3 LYS A 710 8.938 -9.065 -14.684 1.00 0.00 H ATOM 835 H LYS A 710 5.404 -6.966 -8.345 1.00 0.00 H ATOM 836 N ASP A 711 7.974 -4.913 -7.729 1.00 28.85 N ATOM 837 CA ASP A 711 8.822 -3.752 -7.488 1.00 33.30 C ATOM 838 C ASP A 711 9.346 -3.692 -6.061 1.00 33.51 C ATOM 839 O ASP A 711 9.789 -2.630 -5.613 1.00 36.15 O ATOM 840 CB ASP A 711 8.083 -2.456 -7.858 1.00 42.67 C ATOM 841 CG ASP A 711 6.855 -2.169 -6.986 1.00 43.50 C ATOM 842 OD1 ASP A 711 6.558 -2.901 -6.020 1.00 45.57 O ATOM 843 OD2 ASP A 711 6.169 -1.174 -7.287 1.00 49.23 O ATOM 844 H ASP A 711 6.951 -4.851 -7.553 1.00 0.00 H ATOM 845 N THR A 712 9.310 -4.803 -5.338 1.00 34.97 N ATOM 846 CA THR A 712 9.727 -4.798 -3.946 1.00 30.02 C ATOM 847 C THR A 712 11.125 -5.362 -3.805 1.00 29.05 C ATOM 848 O THR A 712 11.650 -6.052 -4.688 1.00 27.84 O ATOM 849 CB THR A 712 8.763 -5.599 -3.067 1.00 30.03 C ATOM 850 OG1 THR A 712 8.814 -6.980 -3.453 1.00 28.28 O ATOM 851 CG2 THR A 712 7.343 -5.066 -3.217 1.00 31.23 C ATOM 852 HG1 THR A 712 8.549 -7.066 -4.403 1.00 0.00 H ATOM 853 H THR A 712 8.979 -5.688 -5.772 1.00 0.00 H ATOM 854 N ILE A 713 11.727 -5.051 -2.664 1.00 30.02 N ATOM 855 CA ILE A 713 13.004 -5.658 -2.319 1.00 30.61 C ATOM 856 C ILE A 713 12.858 -7.166 -2.152 1.00 27.81 C ATOM 857 O ILE A 713 13.701 -7.938 -2.624 1.00 27.08 O ATOM 858 CB ILE A 713 13.570 -4.998 -1.056 1.00 32.86 C ATOM 859 CG1 ILE A 713 14.042 -3.574 -1.393 1.00 32.60 C ATOM 860 CG2 ILE A 713 14.642 -5.891 -0.441 1.00 30.44 C ATOM 861 CD1 ILE A 713 14.978 -3.019 -0.380 1.00 39.59 C ATOM 862 H ILE A 713 11.284 -4.371 -2.014 1.00 0.00 H ATOM 863 N PHE A 714 11.789 -7.610 -1.485 1.00 28.01 N ATOM 864 CA PHE A 714 11.575 -9.042 -1.286 1.00 26.82 C ATOM 865 C PHE A 714 11.570 -9.796 -2.613 1.00 25.24 C ATOM 866 O PHE A 714 12.189 -10.860 -2.741 1.00 24.16 O ATOM 867 CB PHE A 714 10.259 -9.283 -0.542 1.00 32.13 C ATOM 868 CG PHE A 714 10.303 -8.924 0.916 1.00 30.11 C ATOM 869 CD1 PHE A 714 11.453 -9.123 1.662 1.00 36.55 C ATOM 870 CD2 PHE A 714 9.191 -8.380 1.541 1.00 36.87 C ATOM 871 CE1 PHE A 714 11.495 -8.784 3.008 1.00 45.92 C ATOM 872 CE2 PHE A 714 9.227 -8.033 2.886 1.00 43.38 C ATOM 873 CZ PHE A 714 10.378 -8.238 3.620 1.00 44.19 C ATOM 874 H PHE A 714 11.102 -6.929 -1.103 1.00 0.00 H ATOM 875 N TYR A 715 10.857 -9.273 -3.609 1.00 25.95 N ATOM 876 CA TYR A 715 10.768 -9.992 -4.879 1.00 24.08 C ATOM 877 C TYR A 715 12.142 -10.108 -5.536 1.00 23.45 C ATOM 878 O TYR A 715 12.552 -11.194 -5.960 1.00 22.40 O ATOM 879 CB TYR A 715 9.771 -9.295 -5.804 1.00 24.58 C ATOM 880 CG TYR A 715 9.465 -10.039 -7.091 1.00 23.68 C ATOM 881 CD1 TYR A 715 10.326 -9.967 -8.186 1.00 23.22 C ATOM 882 CD2 TYR A 715 8.296 -10.805 -7.217 1.00 23.58 C ATOM 883 CE1 TYR A 715 10.043 -10.631 -9.382 1.00 22.69 C ATOM 884 CE2 TYR A 715 8.006 -11.469 -8.400 1.00 23.04 C ATOM 885 CZ TYR A 715 8.878 -11.389 -9.476 1.00 22.59 C ATOM 886 OH TYR A 715 8.599 -12.061 -10.648 1.00 22.31 O ATOM 887 HH TYR A 715 9.322 -11.894 -11.303 1.00 0.00 H ATOM 888 H TYR A 715 10.369 -8.363 -3.485 1.00 0.00 H ATOM 889 N ARG A 716 12.873 -8.991 -5.625 1.00 24.22 N ATOM 890 CA ARG A 716 14.219 -9.041 -6.189 1.00 23.94 C ATOM 891 C ARG A 716 15.133 -9.964 -5.392 1.00 23.46 C ATOM 892 O ARG A 716 15.974 -10.660 -5.973 1.00 22.82 O ATOM 893 CB ARG A 716 14.825 -7.638 -6.265 1.00 25.26 C ATOM 894 CG ARG A 716 16.243 -7.645 -6.817 1.00 33.76 C ATOM 895 CD ARG A 716 16.364 -8.485 -8.091 1.00 38.24 C ATOM 896 NE ARG A 716 15.643 -7.887 -9.214 1.00 47.98 N ATOM 897 CZ ARG A 716 15.982 -8.064 -10.488 1.00 62.33 C ATOM 898 NH1 ARG A 716 17.027 -8.822 -10.798 1.00 54.92 N ATOM 899 NH2 ARG A 716 15.282 -7.480 -11.451 1.00 72.10 N ATOM 900 HE ARG A 716 14.818 -7.289 -9.005 1.00 0.00 H ATOM 901 HH12 ARG A 716 17.292 -8.960 -11.794 1.00 0.00 H ATOM 902 HH11 ARG A 716 17.581 -9.278 -10.045 1.00 0.00 H ATOM 903 HH22 ARG A 716 15.549 -7.620 -12.446 1.00 0.00 H ATOM 904 HH21 ARG A 716 14.466 -6.882 -11.211 1.00 0.00 H ATOM 905 H ARG A 716 12.482 -8.086 -5.292 1.00 0.00 H ATOM 906 N ALA A 717 14.989 -9.987 -4.062 1.00 23.97 N ATOM 907 CA ALA A 717 15.790 -10.906 -3.250 1.00 23.67 C ATOM 908 C ALA A 717 15.518 -12.365 -3.606 1.00 22.40 C ATOM 909 O ALA A 717 16.434 -13.198 -3.589 1.00 21.96 O ATOM 910 CB ALA A 717 15.521 -10.684 -1.765 1.00 24.68 C ATOM 911 H ALA A 717 14.306 -9.350 -3.603 1.00 0.00 H ATOM 912 N ALA A 718 14.256 -12.701 -3.890 1.00 22.02 N ATOM 913 CA ALA A 718 13.946 -14.060 -4.317 1.00 21.06 C ATOM 914 C ALA A 718 14.558 -14.367 -5.679 1.00 20.43 C ATOM 915 O ALA A 718 15.062 -15.469 -5.896 1.00 19.88 O ATOM 916 CB ALA A 718 12.433 -14.270 -4.344 1.00 21.13 C ATOM 917 H ALA A 718 13.497 -11.995 -3.807 1.00 0.00 H ATOM 918 N VAL A 719 14.509 -13.419 -6.617 1.00 20.71 N ATOM 919 CA VAL A 719 15.152 -13.627 -7.912 1.00 20.45 C ATOM 920 C VAL A 719 16.649 -13.882 -7.715 1.00 23.43 C ATOM 921 O VAL A 719 17.220 -14.820 -8.286 1.00 20.19 O ATOM 922 CB VAL A 719 14.895 -12.431 -8.852 1.00 21.05 C ATOM 923 CG1 VAL A 719 15.725 -12.547 -10.134 1.00 21.14 C ATOM 924 CG2 VAL A 719 13.388 -12.328 -9.211 1.00 21.07 C ATOM 925 H VAL A 719 14.010 -12.527 -6.425 1.00 0.00 H ATOM 926 N ARG A 720 17.294 -13.076 -6.867 1.00 21.24 N ATOM 927 CA ARG A 720 18.727 -13.265 -6.634 1.00 21.60 C ATOM 928 C ARG A 720 19.008 -14.602 -5.946 1.00 21.07 C ATOM 929 O ARG A 720 19.954 -15.300 -6.308 1.00 22.47 O ATOM 930 CB ARG A 720 19.284 -12.105 -5.804 1.00 22.73 C ATOM 931 CG ARG A 720 20.797 -12.009 -5.846 1.00 35.81 C ATOM 932 CD ARG A 720 21.314 -10.985 -4.852 1.00 32.55 C ATOM 933 NE ARG A 720 21.272 -11.555 -3.514 1.00 42.12 N ATOM 934 CZ ARG A 720 21.413 -10.868 -2.384 1.00 44.45 C ATOM 935 NH1 ARG A 720 21.634 -9.559 -2.418 1.00 39.06 N ATOM 936 NH2 ARG A 720 21.349 -11.503 -1.219 1.00 45.79 N ATOM 937 HE ARG A 720 21.120 -12.581 -3.435 1.00 0.00 H ATOM 938 HH12 ARG A 720 21.743 -9.027 -1.531 1.00 0.00 H ATOM 939 HH11 ARG A 720 21.698 -9.066 -3.331 1.00 0.00 H ATOM 940 HH22 ARG A 720 21.458 -10.973 -0.331 1.00 0.00 H ATOM 941 HH21 ARG A 720 21.190 -12.530 -1.195 1.00 0.00 H ATOM 942 H ARG A 720 16.780 -12.318 -6.374 1.00 0.00 H ATOM 943 N LEU A 721 18.190 -14.984 -4.961 1.00 20.84 N ATOM 944 CA LEU A 721 18.374 -16.288 -4.325 1.00 23.52 C ATOM 945 C LEU A 721 18.205 -17.423 -5.329 1.00 22.93 C ATOM 946 O LEU A 721 18.968 -18.395 -5.312 1.00 22.05 O ATOM 947 CB LEU A 721 17.400 -16.462 -3.160 1.00 21.02 C ATOM 948 CG LEU A 721 17.569 -17.748 -2.344 1.00 23.20 C ATOM 949 CD1 LEU A 721 18.933 -17.722 -1.655 1.00 28.89 C ATOM 950 CD2 LEU A 721 16.469 -17.931 -1.305 1.00 24.50 C ATOM 951 H LEU A 721 17.424 -14.355 -4.647 1.00 0.00 H ATOM 952 N ARG A 722 17.213 -17.320 -6.214 1.00 19.41 N ATOM 953 CA ARG A 722 17.032 -18.355 -7.230 1.00 20.77 C ATOM 954 C ARG A 722 18.301 -18.534 -8.057 1.00 19.28 C ATOM 955 O ARG A 722 18.730 -19.664 -8.317 1.00 22.76 O ATOM 956 CB ARG A 722 15.840 -18.007 -8.130 1.00 20.56 C ATOM 957 CG ARG A 722 15.536 -19.055 -9.224 1.00 20.47 C ATOM 958 CD ARG A 722 14.348 -18.607 -10.088 1.00 18.86 C ATOM 959 NE ARG A 722 14.743 -17.490 -10.943 1.00 19.22 N ATOM 960 CZ ARG A 722 13.911 -16.533 -11.354 1.00 23.87 C ATOM 961 NH1 ARG A 722 12.615 -16.572 -11.018 1.00 19.51 N ATOM 962 NH2 ARG A 722 14.362 -15.554 -12.122 1.00 20.02 N ATOM 963 HE ARG A 722 15.735 -17.438 -11.250 1.00 0.00 H ATOM 964 HH12 ARG A 722 11.971 -15.822 -11.342 1.00 0.00 H ATOM 965 HH11 ARG A 722 12.253 -17.352 -10.433 1.00 0.00 H ATOM 966 HH22 ARG A 722 13.715 -14.806 -12.444 1.00 0.00 H ATOM 967 HH21 ARG A 722 15.363 -15.533 -12.403 1.00 0.00 H ATOM 968 H ARG A 722 16.569 -16.504 -6.181 1.00 0.00 H ATOM 969 N GLU A 723 18.935 -17.431 -8.446 1.00 19.77 N ATOM 970 CA GLU A 723 20.111 -17.509 -9.306 1.00 21.06 C ATOM 971 C GLU A 723 21.307 -18.053 -8.533 1.00 29.07 C ATOM 972 O GLU A 723 21.921 -19.055 -8.920 1.00 29.76 O ATOM 973 CB GLU A 723 20.444 -16.119 -9.876 1.00 34.43 C ATOM 974 CG GLU A 723 19.286 -15.415 -10.592 1.00 40.56 C ATOM 975 CD GLU A 723 19.585 -13.952 -10.964 1.00 46.50 C ATOM 976 OE1 GLU A 723 20.433 -13.299 -10.309 1.00 48.97 O ATOM 977 OE2 GLU A 723 18.952 -13.446 -11.914 1.00 39.57 O ATOM 978 H GLU A 723 18.588 -16.502 -8.133 1.00 0.00 H ATOM 979 N GLN A 724 21.645 -17.403 -7.423 1.00 21.03 N ATOM 980 CA GLN A 724 22.803 -17.821 -6.638 1.00 23.83 C ATOM 981 C GLN A 724 22.592 -19.188 -6.005 1.00 27.50 C ATOM 982 O GLN A 724 23.538 -19.975 -5.877 1.00 31.18 O ATOM 983 CB GLN A 724 23.075 -16.805 -5.547 1.00 22.27 C ATOM 984 CG GLN A 724 23.293 -15.398 -6.039 1.00 29.82 C ATOM 985 CD GLN A 724 24.070 -14.599 -5.040 1.00 42.11 C ATOM 986 OE1 GLN A 724 25.261 -14.357 -5.215 1.00 61.13 O ATOM 987 NE2 GLN A 724 23.420 -14.236 -3.945 1.00 37.60 N ATOM 988 HE22 GLN A 724 22.410 -14.463 -3.840 1.00 0.00 H ATOM 989 HE21 GLN A 724 23.919 -13.724 -3.190 1.00 0.00 H ATOM 990 H GLN A 724 21.079 -16.589 -7.111 1.00 0.00 H ATOM 991 N GLY A 725 21.369 -19.460 -5.550 1.00 27.15 N ATOM 992 CA GLY A 725 21.072 -20.758 -4.962 1.00 31.58 C ATOM 993 C GLY A 725 21.097 -21.893 -5.960 1.00 32.46 C ATOM 994 O GLY A 725 21.427 -23.033 -5.603 1.00 26.81 O ATOM 995 H GLY A 725 20.622 -18.740 -5.616 1.00 0.00 H ATOM 996 N GLY A 726 20.744 -21.609 -7.217 1.00 33.82 N ATOM 997 CA GLY A 726 20.762 -22.651 -8.234 1.00 27.15 C ATOM 998 C GLY A 726 22.168 -23.152 -8.514 1.00 33.16 C ATOM 999 O GLY A 726 22.395 -24.351 -8.688 1.00 29.10 O ATOM 1000 H GLY A 726 20.456 -20.642 -7.469 1.00 0.00 H ATOM 1001 N ALA A 727 23.130 -22.240 -8.541 1.00 28.85 N ATOM 1002 CA ALA A 727 24.525 -22.638 -8.688 1.00 22.73 C ATOM 1003 C ALA A 727 24.987 -23.516 -7.518 1.00 29.86 C ATOM 1004 O ALA A 727 25.663 -24.530 -7.728 1.00 30.28 O ATOM 1005 CB ALA A 727 25.392 -21.388 -8.815 1.00 34.48 C ATOM 1006 H ALA A 727 22.888 -21.232 -8.457 1.00 0.00 H ATOM 1007 N VAL A 728 24.642 -23.135 -6.282 1.00 22.31 N ATOM 1008 CA VAL A 728 24.992 -23.940 -5.109 1.00 24.45 C ATOM 1009 C VAL A 728 24.395 -25.338 -5.225 1.00 25.09 C ATOM 1010 O VAL A 728 25.057 -26.348 -4.941 1.00 23.17 O ATOM 1011 CB VAL A 728 24.530 -23.228 -3.819 1.00 23.82 C ATOM 1012 CG1 VAL A 728 24.643 -24.151 -2.590 1.00 25.15 C ATOM 1013 CG2 VAL A 728 25.357 -21.963 -3.579 1.00 26.84 C ATOM 1014 H VAL A 728 24.114 -22.248 -6.152 1.00 0.00 H ATOM 1015 N LEU A 729 23.139 -25.418 -5.663 1.00 23.98 N ATOM 1016 CA LEU A 729 22.442 -26.697 -5.724 1.00 24.45 C ATOM 1017 C LEU A 729 23.010 -27.595 -6.816 1.00 30.60 C ATOM 1018 O LEU A 729 23.052 -28.822 -6.662 1.00 25.82 O ATOM 1019 CB LEU A 729 20.951 -26.455 -5.958 1.00 20.75 C ATOM 1020 CG LEU A 729 20.246 -25.975 -4.688 1.00 29.56 C ATOM 1021 CD1 LEU A 729 18.861 -25.431 -4.994 1.00 32.81 C ATOM 1022 CD2 LEU A 729 20.168 -27.102 -3.677 1.00 27.92 C ATOM 1023 H LEU A 729 22.648 -24.553 -5.967 1.00 0.00 H ATOM 1024 N ARG A 730 23.429 -27.004 -7.934 1.00 24.52 N ATOM 1025 CA ARG A 730 23.954 -27.800 -9.036 1.00 27.22 C ATOM 1026 C ARG A 730 25.280 -28.457 -8.656 1.00 30.21 C ATOM 1027 O ARG A 730 25.498 -29.640 -8.944 1.00 28.52 O ATOM 1028 CB ARG A 730 24.110 -26.917 -10.278 1.00 32.70 C ATOM 1029 CG ARG A 730 24.929 -27.554 -11.393 1.00 47.64 C ATOM 1030 CD ARG A 730 24.848 -26.769 -12.709 1.00 53.39 C ATOM 1031 NE ARG A 730 25.466 -27.515 -13.804 1.00 57.11 N ATOM 1032 CZ ARG A 730 25.343 -27.218 -15.097 1.00 55.41 C ATOM 1033 NH1 ARG A 730 24.616 -26.169 -15.491 1.00 49.08 N ATOM 1034 NH2 ARG A 730 25.947 -27.983 -16.002 1.00 42.47 N ATOM 1035 HE ARG A 730 26.046 -28.341 -13.554 1.00 0.00 H ATOM 1036 HH12 ARG A 730 24.528 -25.948 -16.503 1.00 0.00 H ATOM 1037 HH11 ARG A 730 24.138 -25.573 -14.785 1.00 0.00 H ATOM 1038 HH22 ARG A 730 25.858 -27.760 -17.014 1.00 0.00 H ATOM 1039 HH21 ARG A 730 26.509 -28.804 -15.698 1.00 0.00 H ATOM 1040 H ARG A 730 23.381 -25.969 -8.021 1.00 0.00 H ATOM 1041 N GLN A 731 26.173 -27.707 -8.006 1.00 27.10 N ATOM 1042 CA GLN A 731 27.443 -28.287 -7.562 1.00 27.02 C ATOM 1043 C GLN A 731 27.223 -29.349 -6.489 1.00 29.88 C ATOM 1044 O GLN A 731 27.870 -30.403 -6.508 1.00 31.83 O ATOM 1045 CB GLN A 731 28.364 -27.190 -7.034 1.00 29.13 C ATOM 1046 H GLN A 731 25.966 -26.706 -7.814 1.00 0.00 H ATOM 1047 N ALA A 732 26.322 -29.082 -5.538 1.00 30.09 N ATOM 1048 CA ALA A 732 26.016 -30.069 -4.503 1.00 29.52 C ATOM 1049 C ALA A 732 25.454 -31.356 -5.104 1.00 31.20 C ATOM 1050 O ALA A 732 25.784 -32.460 -4.646 1.00 28.67 O ATOM 1051 CB ALA A 732 25.030 -29.475 -3.493 1.00 28.81 C ATOM 1052 H ALA A 732 25.834 -28.164 -5.534 1.00 0.00 H ATOM 1053 N ARG A 733 24.614 -31.238 -6.139 1.00 26.70 N ATOM 1054 CA ARG A 733 23.992 -32.422 -6.727 1.00 27.99 C ATOM 1055 C ARG A 733 25.024 -33.309 -7.405 1.00 40.09 C ATOM 1056 O ARG A 733 24.943 -34.539 -7.324 1.00 44.40 O ATOM 1057 CB ARG A 733 22.894 -32.022 -7.719 1.00 30.69 C ATOM 1058 CG ARG A 733 22.065 -33.189 -8.251 1.00 50.03 C ATOM 1059 CD ARG A 733 21.124 -32.767 -9.385 1.00 46.85 C ATOM 1060 NE ARG A 733 19.922 -32.105 -8.891 1.00 34.54 N ATOM 1061 CZ ARG A 733 18.837 -32.736 -8.457 1.00 33.67 C ATOM 1062 NH1 ARG A 733 18.785 -34.068 -8.465 1.00 30.01 N ATOM 1063 NH2 ARG A 733 17.795 -32.034 -8.031 1.00 32.10 N ATOM 1064 HE ARG A 733 19.914 -31.065 -8.878 1.00 0.00 H ATOM 1065 HH12 ARG A 733 17.933 -34.557 -8.124 1.00 0.00 H ATOM 1066 HH11 ARG A 733 19.597 -34.618 -8.812 1.00 0.00 H ATOM 1067 HH22 ARG A 733 16.943 -32.523 -7.690 1.00 0.00 H ATOM 1068 HH21 ARG A 733 17.830 -30.995 -8.038 1.00 0.00 H ATOM 1069 H ARG A 733 24.402 -30.297 -6.528 1.00 0.00 H ATOM 1070 N ARG A 734 25.994 -32.696 -8.096 1.00 36.47 N ATOM 1071 CA ARG A 734 27.085 -33.468 -8.681 1.00 38.05 C ATOM 1072 C ARG A 734 27.863 -34.209 -7.603 1.00 41.60 C ATOM 1073 O ARG A 734 28.279 -35.357 -7.802 1.00 43.51 O ATOM 1074 CB ARG A 734 28.014 -32.548 -9.475 1.00 44.15 C ATOM 1075 CG ARG A 734 27.567 -32.261 -10.904 1.00 48.38 C ATOM 1076 CD ARG A 734 28.654 -31.521 -11.690 1.00 51.66 C ATOM 1077 NE ARG A 734 28.751 -30.114 -11.302 1.00 51.12 N ATOM 1078 CZ ARG A 734 29.658 -29.634 -10.457 1.00 44.65 C ATOM 1079 NH1 ARG A 734 29.672 -28.342 -10.153 1.00 41.44 N ATOM 1080 NH2 ARG A 734 30.550 -30.450 -9.910 1.00 45.16 N ATOM 1081 HE ARG A 734 28.067 -29.447 -11.713 1.00 0.00 H ATOM 1082 HH12 ARG A 734 30.384 -27.971 -9.491 1.00 0.00 H ATOM 1083 HH11 ARG A 734 28.971 -27.701 -10.576 1.00 0.00 H ATOM 1084 HH22 ARG A 734 31.260 -30.076 -9.249 1.00 0.00 H ATOM 1085 HH21 ARG A 734 30.539 -31.464 -10.143 1.00 0.00 H ATOM 1086 H ARG A 734 25.969 -31.663 -8.216 1.00 0.00 H ATOM 1087 N GLN A 735 28.066 -33.567 -6.450 1.00 40.07 N ATOM 1088 CA GLN A 735 28.746 -34.228 -5.337 1.00 42.60 C ATOM 1089 C GLN A 735 27.958 -35.446 -4.870 1.00 38.66 C ATOM 1090 O GLN A 735 28.529 -36.517 -4.625 1.00 37.08 O ATOM 1091 CB GLN A 735 28.937 -33.243 -4.179 1.00 48.41 C ATOM 1092 CG GLN A 735 30.068 -32.251 -4.371 1.00 50.32 C ATOM 1093 CD GLN A 735 31.357 -32.936 -4.765 1.00 72.07 C ATOM 1094 OE1 GLN A 735 31.922 -32.660 -5.825 1.00 74.60 O ATOM 1095 NE2 GLN A 735 31.827 -33.844 -3.915 1.00 81.07 N ATOM 1096 HE22 GLN A 735 31.315 -34.044 -3.032 1.00 0.00 H ATOM 1097 HE21 GLN A 735 32.706 -34.355 -4.133 1.00 0.00 H ATOM 1098 H GLN A 735 27.737 -32.586 -6.342 1.00 0.00 H ATOM 1099 N ALA A 736 26.639 -35.285 -4.735 1.00 34.12 N ATOM 1100 CA ALA A 736 25.756 -36.387 -4.373 1.00 40.43 C ATOM 1101 C ALA A 736 25.812 -37.512 -5.399 1.00 55.90 C ATOM 1102 O ALA A 736 25.860 -38.693 -5.033 1.00 51.18 O ATOM 1103 CB ALA A 736 24.322 -35.875 -4.239 1.00 34.30 C ATOM 1104 H ALA A 736 26.228 -34.343 -4.893 1.00 0.00 H ATOM 1105 N GLU A 737 25.793 -37.162 -6.690 1.00 50.35 N ATOM 1106 CA GLU A 737 25.783 -38.166 -7.750 1.00 45.73 C ATOM 1107 C GLU A 737 27.032 -39.040 -7.735 1.00 43.34 C ATOM 1108 O GLU A 737 26.988 -40.173 -8.232 1.00 44.32 O ATOM 1109 CB GLU A 737 25.616 -37.480 -9.110 1.00 43.25 C ATOM 1110 CG GLU A 737 24.225 -36.862 -9.289 1.00 55.13 C ATOM 1111 CD GLU A 737 24.073 -36.060 -10.573 1.00 59.97 C ATOM 1112 OE1 GLU A 737 25.069 -35.903 -11.309 1.00 65.67 O ATOM 1113 OE2 GLU A 737 22.953 -35.572 -10.839 1.00 55.93 O ATOM 1114 H GLU A 737 25.785 -36.154 -6.944 1.00 0.00 H ATOM 1115 N LYS A 738 28.133 -38.550 -7.162 1.00 44.99 N ATOM 1116 CA LYS A 738 29.353 -39.335 -7.024 1.00 56.17 C ATOM 1117 C LYS A 738 29.291 -40.345 -5.884 1.00 65.34 C ATOM 1118 O LYS A 738 30.174 -41.202 -5.791 1.00 67.73 O ATOM 1119 CB LYS A 738 30.554 -38.410 -6.805 1.00 52.23 C ATOM 1120 CG LYS A 738 30.979 -37.635 -8.037 1.00 57.49 C ATOM 1121 CD LYS A 738 32.203 -36.783 -7.743 1.00 65.38 C ATOM 1122 H LYS A 738 28.120 -37.575 -6.802 1.00 0.00 H ATOM 1123 N MET A 739 28.290 -40.267 -5.016 1.00 64.70 N ATOM 1124 CA MET A 739 28.251 -41.135 -3.844 1.00 60.75 C ATOM 1125 C MET A 739 27.718 -42.520 -4.202 1.00 57.62 C ATOM 1126 O MET A 739 26.521 -42.702 -4.420 1.00 63.72 O ATOM 1127 CB MET A 739 27.405 -40.496 -2.733 1.00 59.22 C ATOM 1128 CG MET A 739 27.934 -39.146 -2.233 1.00 57.35 C ATOM 1129 SD MET A 739 26.917 -38.363 -0.947 1.00 55.35 S ATOM 1130 CE MET A 739 28.078 -37.181 -0.276 1.00 42.91 C ATOM 1131 H MET A 739 27.525 -39.580 -5.173 1.00 0.00 H TER 1132 MET A 739 HETATM 1133 O HOH 1 17.958 -35.921 12.390 1.00 54.92 O HETATM 1134 O HOH 2 19.296 -17.069 5.707 1.00 42.63 O HETATM 1135 O HOH 3 26.763 -15.845 -5.650 1.00 52.39 O HETATM 1136 O HOH 4 30.592 -36.742 -3.686 1.00 50.34 O HETATM 1137 O HOH 5 21.138 -14.444 -3.375 1.00 35.90 O HETATM 1138 O HOH 6 21.517 -15.621 5.744 1.00 39.59 O HETATM 1139 O HOH 7 14.935 -36.320 -10.522 1.00 65.70 O HETATM 1140 O HOH 8 7.554 -29.526 -0.864 1.00 53.53 O HETATM 1141 O HOH 9 10.808 -1.029 -7.234 1.00 46.12 O HETATM 1142 O HOH 10 7.452 -15.246 1.029 1.00 30.86 O HETATM 1143 O HOH 11 27.139 -19.828 0.017 1.00 32.98 O HETATM 1144 O HOH 12 27.335 -46.535 9.307 1.00 45.23 O HETATM 1145 O HOH 13 13.020 -37.779 0.547 1.00 35.11 O HETATM 1146 O HOH 14 9.066 -33.581 0.715 1.00 52.57 O HETATM 1147 O HOH 15 18.460 -23.158 9.250 1.00 44.58 O HETATM 1148 O HOH 16 12.250 -5.980 -8.372 1.00 40.57 O HETATM 1149 O HOH 17 9.292 -23.970 11.414 1.00 59.86 O HETATM 1150 O HOH 18 21.972 -20.062 -11.297 1.00 48.93 O HETATM 1151 O HOH 19 16.371 -24.564 -7.867 1.00 33.12 O HETATM 1152 O HOH 20 10.975 -14.204 8.934 1.00 40.89 O HETATM 1153 O HOH 21 7.289 -18.821 2.866 1.00 30.47 O HETATM 1154 O HOH 22 20.378 -28.919 -8.325 1.00 51.91 O HETATM 1155 O HOH 23 25.998 -19.058 -6.180 1.00 34.13 O HETATM 1156 O HOH 24 7.884 -21.245 6.768 1.00 31.57 O HETATM 1157 O HOH 25 11.192 -12.586 6.470 1.00 44.43 O HETATM 1158 O HOH 26 11.132 -16.101 5.379 1.00 29.59 O HETATM 1159 O HOH 27 23.421 -33.400 -12.293 1.00 48.12 O HETATM 1160 O HOH 28 17.427 -21.978 -8.361 1.00 35.19 O HETATM 1161 O HOH 29 16.437 -35.495 5.642 1.00 30.62 O HETATM 1162 O HOH 30 8.957 -16.072 12.114 1.00 55.24 O HETATM 1163 O HOH 31 8.744 -30.804 2.788 1.00 45.17 O HETATM 1164 O HOH 32 17.071 -14.857 -13.215 1.00 37.87 O HETATM 1165 O HOH 33 1.071 -14.033 -7.134 1.00 54.45 O HETATM 1166 O HOH 34 7.186 -6.323 -15.080 1.00 33.67 O HETATM 1167 O HOH 35 4.784 -21.017 -4.218 1.00 32.13 O HETATM 1168 O HOH 36 27.337 -28.364 -0.719 1.00 28.54 O HETATM 1169 O HOH 37 28.885 -17.265 -0.933 1.00 51.65 O HETATM 1170 O HOH 38 18.761 -12.164 0.722 1.00 37.72 O HETATM 1171 O HOH 39 10.211 -31.773 -0.489 1.00 40.51 O HETATM 1172 O HOH 40 27.368 -24.531 -9.890 1.00 52.47 O HETATM 1173 O HOH 41 3.997 -6.635 -9.281 1.00 27.88 O HETATM 1174 O HOH 42 8.004 -23.933 -5.965 1.00 29.21 O HETATM 1175 O HOH 43 3.115 -22.543 -1.032 1.00 33.67 O HETATM 1176 O HOH 44 9.394 -17.073 0.893 1.00 30.18 O HETATM 1177 O HOH 45 19.302 -37.772 -4.675 1.00 38.23 O HETATM 1178 O HOH 46 21.712 -24.114 8.154 1.00 48.69 O HETATM 1179 O HOH 47 17.764 -20.309 9.782 1.00 41.91 O HETATM 1180 O HOH 48 24.970 -20.553 6.774 1.00 44.81 O HETATM 1181 O HOH 49 26.419 -33.580 10.541 1.00 48.67 O HETATM 1182 O HOH 50 20.511 -25.613 -10.396 1.00 53.70 O HETATM 1183 O HOH 51 8.833 -26.481 -5.082 1.00 31.15 O HETATM 1184 O HOH 52 16.698 -14.068 10.859 1.00 49.14 O HETATM 1185 O HOH 53 19.132 -40.297 -2.576 1.00 43.38 O HETATM 1186 O HOH 54 13.973 -14.605 8.192 1.00 37.50 O HETATM 1187 O HOH 55 12.639 -9.835 -12.458 1.00 39.48 O HETATM 1188 O HOH 56 27.578 -26.413 -3.597 1.00 29.02 O HETATM 1189 O HOH 57 7.385 -18.756 5.956 1.00 35.88 O HETATM 1190 O HOH 58 10.422 -17.607 3.239 1.00 26.60 O HETATM 1191 O HOH 59 5.395 -7.087 0.229 1.00 44.79 O HETATM 1192 O HOH 60 4.997 -18.067 7.383 1.00 30.69 O HETATM 1193 O HOH 61 8.304 -34.062 -2.789 1.00 39.05 O HETATM 1194 O HOH 62 18.755 -13.163 -1.874 1.00 35.05 O HETATM 1195 O HOH 63 16.766 -36.590 -6.369 1.00 33.83 O HETATM 1196 O HOH 64 29.381 -35.862 2.667 1.00 40.95 O HETATM 1197 O HOH 65 -0.158 -10.762 -2.394 1.00 44.89 O HETATM 1198 O HOH 66 15.126 -13.321 -14.550 1.00 45.54 O HETATM 1199 O HOH 67 14.114 -21.616 -7.366 1.00 35.87 O HETATM 1200 O HOH 68 5.468 -3.967 -9.003 1.00 37.59 O HETATM 1201 O HOH 69 26.800 -14.579 0.073 1.00 45.83 O HETATM 1202 O HOH 70 22.646 -26.736 7.919 1.00 41.82 O HETATM 1203 O HOH 71 1.001 -21.206 -2.857 1.00 36.64 O HETATM 1204 O HOH 72 15.367 -32.578 -10.584 1.00 51.38 O HETATM 1205 O HOH 73 19.177 -10.583 -9.635 1.00 40.65 O HETATM 1206 O HOH 74 4.038 -6.475 -2.101 1.00 32.87 O HETATM 1207 O HOH 75 11.043 -19.127 -10.631 1.00 23.80 O HETATM 1208 O HOH 76 27.929 -30.612 7.088 1.00 35.65 O HETATM 1209 O HOH 77 21.315 -37.430 11.874 1.00 61.34 O HETATM 1210 O HOH 78 14.644 -10.183 -12.777 1.00 51.37 O HETATM 1211 O HOH 79 10.140 -27.516 -7.472 1.00 37.70 O HETATM 1212 O HOH 80 10.240 -5.570 0.237 1.00 36.30 O HETATM 1213 O HOH 81 17.513 -18.100 -12.194 1.00 37.45 O HETATM 1214 O HOH 82 7.647 -28.568 6.280 1.00 39.14 O HETATM 1215 O HOH 83 24.791 -14.287 4.973 1.00 45.67 O HETATM 1216 O HOH 84 11.946 -11.994 10.885 1.00 57.05 O HETATM 1217 O HOH 85 12.755 -40.858 -0.636 1.00 35.52 O HETATM 1218 O HOH 86 29.342 -19.944 -3.715 1.00 49.55 O HETATM 1219 O HOH 87 15.399 -41.533 -2.273 1.00 40.39 O HETATM 1220 O HOH 88 5.360 -32.303 -4.701 1.00 64.30 O HETATM 1221 O HOH 89 29.368 -28.298 -4.224 1.00 46.61 O HETATM 1222 O HOH 90 22.302 -17.373 7.340 1.00 44.34 O HETATM 1223 O HOH 91 11.593 -20.746 -8.486 1.00 42.90 O HETATM 1224 O HOH 92 22.492 -49.095 -0.701 1.00 47.73 O HETATM 1225 O HOH 93 26.976 -27.982 7.985 1.00 52.48 O HETATM 1226 O HOH 94 19.016 -20.441 -11.681 1.00 46.14 O HETATM 1227 O HOH 95 30.731 -31.797 -0.194 1.00 47.77 O HETATM 1228 O HOH 96 24.546 -12.381 7.234 1.00 58.17 O HETATM 1229 O HOH 97 29.421 -30.050 -1.664 1.00 42.47 O HETATM 1230 O HOH 98 29.646 -33.210 2.285 1.00 45.52 O HETATM 1231 O HOH 99 23.831 -21.909 8.136 1.00 55.98 O HETATM 1232 O HOH 100 2.387 -6.662 3.059 1.00 60.54 O HETATM 1233 O HOH 101 9.256 -3.826 -11.135 1.00 49.97 O HETATM 1234 O HOH 102 14.433 -24.999 -10.631 1.00 63.39 O HETATM 1235 O HOH 103 28.713 -23.888 -3.945 1.00 40.04 O HETATM 1236 O HOH 104 23.520 -23.511 -12.434 1.00 62.44 O HETATM 1237 O HOH 105 28.139 -21.184 -5.866 1.00 44.16 O HETATM 1238 O HOH 106 31.417 -28.640 -5.784 1.00 57.93 O HETATM 1239 O HOH 107 6.438 -35.148 -4.383 1.00 52.74 O HETATM 1240 O HOH 108 26.504 -17.151 -7.913 1.00 57.76 O HETATM 1241 O HOH 109 4.634 -7.293 2.458 1.00 51.05 O HETATM 1242 O HOH 110 28.695 -21.372 -1.715 1.00 38.97 O HETATM 1243 O HOH 111 6.511 -3.443 -11.316 1.00 36.68 O HETATM 1244 O HOH 112 2.771 -24.860 -2.621 1.00 34.98 O HETATM 1245 O HOH 113 7.042 -27.798 9.149 1.00 56.50 O HETATM 1246 O HOH 114 6.029 -22.402 8.588 1.00 47.71 O HETATM 1247 O HOH 115 6.610 -27.673 -4.797 1.00 42.50 O HETATM 1248 O HOH 116 13.132 -22.745 -10.631 1.00 43.62 O HETATM 1249 O HOH 117 20.161 -44.825 -2.669 1.00 45.26 O HETATM 1250 O HOH 118 25.840 -22.945 -12.168 1.00 48.15 O HETATM 1251 O HOH 119 3.612 -3.760 -2.606 1.00 49.91 O HETATM 1252 O HOH 120 1.687 -7.036 -8.034 1.00 40.02 O HETATM 1253 O HOH 121 4.191 -20.279 8.988 1.00 46.57 O HETATM 1254 O HOH 122 1.048 -4.258 -6.755 1.00 48.36 O HETATM 1255 CAA UNN A 123 10.462 -13.612 2.091 1.00 0.03 C HETATM 1256 CAS UNN A 123 9.413 -12.719 2.748 1.00 0.18 C HETATM 1257 NAM UNN A 123 8.213 -12.446 2.241 1.00 -0.30 N HETATM 1258 CAU UNN A 123 7.606 -11.642 3.116 1.00 0.02 C HETATM 1259 CAB UNN A 123 6.189 -11.105 2.880 1.00 -0.03 C HETATM 1260 H4 UNN A 123 5.808 -11.484 1.920 1.00 0.04 H HETATM 1261 H5 UNN A 123 6.213 -10.005 2.856 1.00 0.04 H HETATM 1262 H6 UNN A 123 5.529 -11.440 3.694 1.00 0.04 H HETATM 1263 CAX UNN A 123 8.426 -11.424 4.158 1.00 0.20 C HETATM 1264 CAQ UNN A 123 8.249 -10.687 5.267 1.00 0.24 C HETATM 1265 NAN UNN A 123 9.319 -10.751 6.102 1.00 -0.24 N HETATM 1266 CAT UNN A 123 9.411 -10.121 7.294 1.00 0.08 C HETATM 1267 CAG UNN A 123 8.376 -9.433 7.928 1.00 -0.03 C HETATM 1268 CAJ UNN A 123 8.578 -8.827 9.166 1.00 -0.01 C HETATM 1269 CAW UNN A 123 9.823 -8.899 9.787 1.00 0.17 C HETATM 1270 NAL UNN A 123 10.819 -9.572 9.196 1.00 -0.29 N HETATM 1271 CAK UNN A 123 10.633 -10.185 7.951 1.00 0.02 C HETATM 1272 H13 UNN A 123 11.457 -10.719 7.492 1.00 0.07 H HETATM 1273 OAO UNN A 123 10.055 -8.335 11.010 1.00 -0.25 O HETATM 1274 CAV UNN A 123 9.757 -7.020 11.220 1.00 0.12 C HETATM 1275 CAH UNN A 123 9.250 -6.657 12.463 1.00 -0.03 C HETATM 1276 CAE UNN A 123 8.941 -5.332 12.739 1.00 -0.06 C HETATM 1277 CAR UNN A 123 9.149 -4.357 11.774 1.00 0.03 C HETATM 1278 CAF UNN A 123 9.665 -4.713 10.532 1.00 -0.06 C HETATM 1279 CAI UNN A 123 9.974 -6.042 10.253 1.00 -0.03 C HETATM 1280 H11 UNN A 123 10.382 -6.314 9.286 1.00 0.06 H HETATM 1281 H8 UNN A 123 9.827 -3.952 9.777 1.00 0.06 H HETATM 1282 CL UNN A 123 8.765 -2.705 12.128 1.00 -0.08 CL HETATM 1283 H7 UNN A 123 8.538 -5.059 13.707 1.00 0.06 H HETATM 1284 H10 UNN A 123 9.095 -7.415 13.223 1.00 0.06 H HETATM 1285 H12 UNN A 123 7.764 -8.298 9.648 1.00 0.06 H HETATM 1286 H9 UNN A 123 7.404 -9.369 7.452 1.00 0.06 H HETATM 1287 H14 UNN A 123 10.098 -11.307 5.812 1.00 0.22 H HETATM 1288 OAC UNN A 123 7.230 -10.020 5.448 1.00 -0.39 O HETATM 1289 OAP UNN A 123 9.584 -12.121 3.923 1.00 -0.22 O HETATM 1290 H1 UNN A 123 10.078 -13.982 1.129 1.00 0.05 H HETATM 1291 H2 UNN A 123 10.683 -14.464 2.750 1.00 0.05 H HETATM 1292 H3 UNN A 123 11.381 -13.033 1.920 1.00 0.05 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1255 1256 1290 1291 1292 CONECT 1256 1255 1257 1289 CONECT 1257 1256 1258 CONECT 1258 1257 1259 1263 CONECT 1259 1258 1260 1261 1262 CONECT 1260 1259 CONECT 1261 1259 CONECT 1262 1259 CONECT 1263 1258 1264 1289 CONECT 1264 1263 1265 1288 CONECT 1265 1264 1266 1287 CONECT 1266 1265 1267 1271 CONECT 1267 1266 1268 1286 CONECT 1268 1267 1269 1285 CONECT 1269 1268 1270 1273 CONECT 1270 1269 1271 CONECT 1271 1266 1270 1272 CONECT 1272 1271 CONECT 1273 1269 1274 CONECT 1274 1273 1275 1279 CONECT 1275 1274 1276 1284 CONECT 1276 1275 1277 1283 CONECT 1277 1276 1278 1282 CONECT 1278 1277 1279 1281 CONECT 1279 1274 1278 1280 CONECT 1280 1279 CONECT 1281 1278 CONECT 1282 1277 CONECT 1283 1276 CONECT 1284 1275 CONECT 1285 1268 CONECT 1286 1267 CONECT 1287 1265 CONECT 1288 1264 CONECT 1289 1256 1263 CONECT 1290 1255 CONECT 1291 1255 CONECT 1292 1255 MASTER 0 0 0 0 0 0 0 0 1291 1 42 9 END
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Pocket-Ligand
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Related entries of code: 5o5h
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%
5etb
RCSB PDB
PDBbind
116aa, >5ETB_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%
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
5o5h
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Peregrin
Ligand Name
9LK
EC.Number
E.C.-.-.-.-
Resolution
1.85(Å)
Affinity (Kd/Ki/IC50)
IC50=75uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Eur J Med Chem Vol. 155: pp. 337-352
Ligand Properties
Formula
C
1
7
H
1
4
ClN
3
O
3
Molecular Weight
343.764
Exact Mass
343.072
No. of atoms
38
No. of bonds
40
Polar Surface Area
77.25
LOGP Value
3.73 (
Computed with XLOGP3
)
4.46 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 3
Canonical SMILES
Clc1ccc(cc1)Oc1ccc(cn1)NC(=O)c1oc(nc1C)C
InChI String
InChI=1S/C17H14ClN3O3/c1-10-16(23-11(2)20-10)17(22)21-13-5-8-15(19-9-13)24-14-6-3-12(18)4-7-14/h3-9H,1-2H3,(H,21,22)
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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