Browse entries in the PDBbind-CN Database
HEADER 5FH7_COMPLEX COMPND 5FH7_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 115 SER LYS TYR MET THR PRO MET GLN GLN LYS LEU ASN GLU SEQRES 2 A 115 VAL TYR GLU ALA VAL LYS ASN TYR THR ASP LYS ARG GLY SEQRES 3 A 115 ARG ARG LEU SER ALA ILE PHE LEU ARG LEU PRO SER ARG SEQRES 4 A 115 SER GLU LEU PRO ASP TYR TYR LEU THR ILE LYS LYS PRO SEQRES 5 A 115 MET ASP MET GLU LYS ILE ARG SER HIS MET MET ALA ASN SEQRES 6 A 115 LYS TYR GLN ASP ILE ASP SER MET VAL GLU ASP PHE VAL SEQRES 7 A 115 MET MET PHE ASN ASN ALA CYS THR TYR ASN GLU PRO GLU SEQRES 8 A 115 SER LEU ILE TYR LYS ASP ALA LEU VAL LEU HIS LYS VAL SEQRES 9 A 115 LEU LEU GLU THR ARG ARG ASP LEU GLU GLY ASP HET UNN A 226 32 ATOM 1 N SER A 652 11.584 -4.072 -4.679 1.00 42.45 N ATOM 2 CA SER A 652 10.430 -3.250 -5.194 1.00 41.56 C ATOM 3 C SER A 652 10.026 -2.197 -4.192 1.00 40.15 C ATOM 4 O SER A 652 10.039 -2.435 -2.986 1.00 40.36 O ATOM 5 CB SER A 652 9.203 -4.129 -5.495 1.00 42.45 C ATOM 6 OG SER A 652 8.056 -3.324 -5.823 1.00 41.70 O ATOM 7 HG SER A 652 7.283 -3.914 -6.011 1.00 0.00 H ATOM 8 HN3 SER A 652 11.305 -4.542 -3.794 1.00 0.00 H ATOM 9 HN2 SER A 652 12.399 -3.450 -4.501 1.00 0.00 H ATOM 10 HN1 SER A 652 11.841 -4.788 -5.388 1.00 0.00 H ATOM 11 N LYS A 653 9.609 -1.039 -4.682 1.00 37.05 N ATOM 12 CA LYS A 653 9.019 -0.038 -3.792 1.00 33.99 C ATOM 13 C LYS A 653 7.599 -0.354 -3.321 1.00 32.44 C ATOM 14 O LYS A 653 7.116 0.333 -2.447 1.00 35.01 O ATOM 15 CB LYS A 653 9.029 1.330 -4.431 1.00 35.10 C ATOM 16 CG LYS A 653 8.003 1.497 -5.543 1.00 36.06 C ATOM 17 CD LYS A 653 8.267 2.774 -6.291 1.00 36.83 C ATOM 18 CE LYS A 653 7.191 2.980 -7.344 1.00 36.41 C ATOM 19 NZ LYS A 653 7.380 4.326 -7.911 1.00 37.40 N ATOM 20 HZ1 LYS A 653 7.291 5.035 -7.155 1.00 0.00 H ATOM 21 HZ2 LYS A 653 8.326 4.391 -8.339 1.00 0.00 H ATOM 22 HZ3 LYS A 653 6.657 4.499 -8.638 1.00 0.00 H ATOM 23 H LYS A 653 9.701 -0.841 -5.699 1.00 0.00 H ATOM 24 N TYR A 654 6.940 -1.365 -3.886 1.00 29.92 N ATOM 25 CA TYR A 654 5.557 -1.684 -3.581 1.00 28.55 C ATOM 26 C TYR A 654 5.451 -2.697 -2.439 1.00 28.22 C ATOM 27 O TYR A 654 5.931 -3.826 -2.538 1.00 29.56 O ATOM 28 CB TYR A 654 4.851 -2.261 -4.800 1.00 28.76 C ATOM 29 CG TYR A 654 4.847 -1.359 -6.003 1.00 29.42 C ATOM 30 CD1 TYR A 654 4.232 -0.119 -5.964 1.00 29.35 C ATOM 31 CD2 TYR A 654 5.445 -1.768 -7.182 1.00 30.37 C ATOM 32 CE1 TYR A 654 4.185 0.713 -7.095 1.00 29.62 C ATOM 33 CE2 TYR A 654 5.414 -0.945 -8.312 1.00 31.13 C ATOM 34 CZ TYR A 654 4.806 0.293 -8.239 1.00 30.15 C ATOM 35 OH TYR A 654 4.781 1.084 -9.369 1.00 32.54 O ATOM 36 HH TYR A 654 4.316 1.934 -9.165 1.00 0.00 H ATOM 37 H TYR A 654 7.442 -1.955 -4.580 1.00 0.00 H ATOM 38 N MET A 655 4.801 -2.265 -1.380 1.00 26.22 N ATOM 39 CA MET A 655 4.638 -3.110 -0.203 1.00 26.39 C ATOM 40 C MET A 655 3.483 -4.073 -0.412 1.00 24.45 C ATOM 41 O MET A 655 2.474 -3.713 -1.014 1.00 24.79 O ATOM 42 CB MET A 655 4.348 -2.258 1.028 1.00 27.87 C ATOM 43 CG MET A 655 5.541 -1.564 1.640 1.00 30.96 C ATOM 44 SD MET A 655 5.051 -0.792 3.220 1.00 35.11 S ATOM 45 CE MET A 655 4.261 0.723 2.695 1.00 34.78 C ATOM 46 H MET A 655 4.397 -1.307 -1.382 1.00 0.00 H ATOM 47 N THR A 656 3.597 -5.267 0.146 1.00 23.63 N ATOM 48 CA THR A 656 2.457 -6.179 0.181 1.00 23.48 C ATOM 49 C THR A 656 1.358 -5.620 1.084 1.00 23.47 C ATOM 50 O THR A 656 1.637 -4.726 1.917 1.00 22.45 O ATOM 51 CB THR A 656 2.867 -7.580 0.691 1.00 23.57 C ATOM 52 OG1 THR A 656 3.236 -7.482 2.084 1.00 22.96 O ATOM 53 CG2 THR A 656 4.069 -8.089 -0.086 1.00 24.57 C ATOM 54 HG1 THR A 656 3.500 -8.376 2.418 1.00 0.00 H ATOM 55 H THR A 656 4.504 -5.558 0.562 1.00 0.00 H ATOM 56 N PRO A 657 0.122 -6.118 0.976 1.00 22.61 N ATOM 57 CA PRO A 657 -0.946 -5.676 1.865 1.00 22.62 C ATOM 58 C PRO A 657 -0.582 -5.832 3.360 1.00 22.23 C ATOM 59 O PRO A 657 -0.833 -4.912 4.150 1.00 21.33 O ATOM 60 CB PRO A 657 -2.100 -6.582 1.494 1.00 23.14 C ATOM 61 CG PRO A 657 -1.898 -6.761 0.008 1.00 23.41 C ATOM 62 CD PRO A 657 -0.424 -6.964 -0.133 1.00 23.43 C ATOM 63 N MET A 658 0.008 -6.960 3.732 1.00 22.53 N ATOM 64 CA MET A 658 0.461 -7.106 5.144 1.00 23.58 C ATOM 65 C MET A 658 1.501 -6.081 5.533 1.00 22.24 C ATOM 66 O MET A 658 1.414 -5.489 6.632 1.00 21.62 O ATOM 67 CB MET A 658 1.058 -8.465 5.406 1.00 25.99 C ATOM 68 CG MET A 658 1.432 -8.708 6.858 1.00 28.70 C ATOM 69 SD MET A 658 -0.004 -8.642 7.930 1.00 33.45 S ATOM 70 CE MET A 658 -0.781 -10.238 7.620 1.00 35.08 C ATOM 71 H MET A 658 0.152 -7.731 3.049 1.00 0.00 H ATOM 72 N GLN A 659 2.481 -5.850 4.672 1.00 20.95 N ATOM 73 CA GLN A 659 3.463 -4.809 4.945 1.00 20.82 C ATOM 74 C GLN A 659 2.856 -3.427 5.089 1.00 20.39 C ATOM 75 O GLN A 659 3.243 -2.633 5.950 1.00 19.26 O ATOM 76 CB GLN A 659 4.548 -4.782 3.903 1.00 21.96 C ATOM 77 CG GLN A 659 5.436 -5.985 3.953 1.00 23.27 C ATOM 78 CD GLN A 659 6.234 -6.201 2.683 1.00 25.05 C ATOM 79 OE1 GLN A 659 6.042 -5.532 1.656 1.00 26.07 O ATOM 80 NE2 GLN A 659 7.133 -7.143 2.745 1.00 26.97 N ATOM 81 HE22 GLN A 659 7.263 -7.681 3.626 1.00 0.00 H ATOM 82 HE21 GLN A 659 7.721 -7.357 1.914 1.00 0.00 H ATOM 83 H GLN A 659 2.549 -6.413 3.800 1.00 0.00 H ATOM 84 N GLN A 660 1.898 -3.104 4.227 1.00 19.66 N ATOM 85 CA GLN A 660 1.165 -1.834 4.319 1.00 20.11 C ATOM 86 C GLN A 660 0.413 -1.701 5.623 1.00 19.54 C ATOM 87 O GLN A 660 0.434 -0.612 6.234 1.00 19.67 O ATOM 88 CB GLN A 660 0.174 -1.698 3.142 1.00 20.63 C ATOM 89 CG GLN A 660 0.862 -1.555 1.794 1.00 21.38 C ATOM 90 CD GLN A 660 -0.168 -1.548 0.672 1.00 22.44 C ATOM 91 OE1 GLN A 660 -1.034 -0.681 0.641 1.00 24.37 O ATOM 92 NE2 GLN A 660 -0.126 -2.557 -0.196 1.00 22.70 N ATOM 93 HE22 GLN A 660 0.629 -3.269 -0.129 1.00 0.00 H ATOM 94 HE21 GLN A 660 -0.848 -2.633 -0.940 1.00 0.00 H ATOM 95 H GLN A 660 1.660 -3.770 3.464 1.00 0.00 H ATOM 96 N LYS A 661 -0.201 -2.789 6.083 1.00 19.79 N ATOM 97 CA LYS A 661 -0.959 -2.778 7.325 1.00 20.96 C ATOM 98 C LYS A 661 -0.034 -2.602 8.534 1.00 19.31 C ATOM 99 O LYS A 661 -0.357 -1.786 9.441 1.00 19.22 O ATOM 100 CB LYS A 661 -1.795 -4.037 7.491 1.00 23.93 C ATOM 101 CG LYS A 661 -2.917 -3.822 8.479 1.00 28.46 C ATOM 102 CD LYS A 661 -4.001 -4.869 8.254 1.00 33.34 C ATOM 103 CE LYS A 661 -4.878 -5.027 9.474 1.00 35.62 C ATOM 104 NZ LYS A 661 -5.832 -6.148 9.222 1.00 38.61 N ATOM 105 HZ1 LYS A 661 -6.414 -5.926 8.389 1.00 0.00 H ATOM 106 HZ2 LYS A 661 -5.298 -7.024 9.049 1.00 0.00 H ATOM 107 HZ3 LYS A 661 -6.446 -6.273 10.052 1.00 0.00 H ATOM 108 H LYS A 661 -0.137 -3.673 5.539 1.00 0.00 H ATOM 109 N LEU A 662 1.079 -3.316 8.563 1.00 17.92 N ATOM 110 CA LEU A 662 2.096 -3.155 9.624 1.00 17.87 C ATOM 111 C LEU A 662 2.578 -1.724 9.666 1.00 17.17 C ATOM 112 O LEU A 662 2.706 -1.091 10.713 1.00 16.54 O ATOM 113 CB LEU A 662 3.293 -4.069 9.389 1.00 18.43 C ATOM 114 CG LEU A 662 2.998 -5.537 9.647 1.00 18.57 C ATOM 115 CD1 LEU A 662 4.004 -6.439 8.923 1.00 19.40 C ATOM 116 CD2 LEU A 662 2.990 -5.817 11.162 1.00 19.10 C ATOM 117 H LEU A 662 1.245 -4.016 7.812 1.00 0.00 H ATOM 118 N ASN A 663 2.887 -1.155 8.512 1.00 17.78 N ATOM 119 CA ASN A 663 3.382 0.184 8.451 1.00 18.83 C ATOM 120 C ASN A 663 2.320 1.206 8.950 1.00 17.16 C ATOM 121 O ASN A 663 2.653 2.142 9.653 1.00 16.73 O ATOM 122 CB ASN A 663 3.804 0.534 7.026 1.00 21.48 C ATOM 123 CG ASN A 663 4.591 1.824 6.983 1.00 24.36 C ATOM 124 OD1 ASN A 663 5.699 1.916 7.516 1.00 28.55 O ATOM 125 ND2 ASN A 663 4.033 2.815 6.353 1.00 26.79 N ATOM 126 HD22 ASN A 663 3.096 2.693 5.918 1.00 0.00 H ATOM 127 HD21 ASN A 663 4.523 3.730 6.284 1.00 0.00 H ATOM 128 H ASN A 663 2.767 -1.694 7.631 1.00 0.00 H ATOM 129 N GLU A 664 1.055 1.022 8.602 1.00 17.93 N ATOM 130 CA GLU A 664 -0.031 1.883 9.011 1.00 18.90 C ATOM 131 C GLU A 664 -0.178 1.862 10.542 1.00 17.87 C ATOM 132 O GLU A 664 -0.347 2.897 11.165 1.00 17.48 O ATOM 133 CB GLU A 664 -1.390 1.544 8.316 1.00 21.74 C ATOM 134 CG GLU A 664 -2.466 2.585 8.628 1.00 24.50 C ATOM 135 CD GLU A 664 -3.610 2.611 7.622 1.00 31.29 C ATOM 136 OE1 GLU A 664 -3.581 1.816 6.662 1.00 33.33 O ATOM 137 OE2 GLU A 664 -4.537 3.448 7.807 1.00 36.24 O ATOM 138 H GLU A 664 0.830 0.207 7.997 1.00 0.00 H ATOM 139 N VAL A 665 -0.120 0.684 11.128 1.00 17.67 N ATOM 140 CA VAL A 665 -0.185 0.544 12.613 1.00 18.40 C ATOM 141 C VAL A 665 0.988 1.258 13.281 1.00 15.89 C ATOM 142 O VAL A 665 0.786 2.092 14.197 1.00 15.94 O ATOM 143 CB VAL A 665 -0.338 -0.931 13.035 1.00 19.22 C ATOM 144 CG1 VAL A 665 -0.243 -1.091 14.541 1.00 20.83 C ATOM 145 CG2 VAL A 665 -1.649 -1.497 12.524 1.00 20.74 C ATOM 146 H VAL A 665 -0.027 -0.170 10.542 1.00 0.00 H ATOM 147 N TYR A 666 2.198 1.013 12.827 1.00 15.21 N ATOM 148 CA TYR A 666 3.413 1.601 13.402 1.00 15.51 C ATOM 149 C TYR A 666 3.304 3.126 13.294 1.00 15.95 C ATOM 150 O TYR A 666 3.529 3.867 14.279 1.00 16.41 O ATOM 151 CB TYR A 666 4.690 1.098 12.679 1.00 15.29 C ATOM 152 CG TYR A 666 5.893 1.763 13.209 1.00 16.56 C ATOM 153 CD1 TYR A 666 6.582 1.212 14.280 1.00 17.46 C ATOM 154 CD2 TYR A 666 6.395 2.938 12.642 1.00 18.63 C ATOM 155 CE1 TYR A 666 7.650 1.832 14.817 1.00 18.89 C ATOM 156 CE2 TYR A 666 7.503 3.586 13.224 1.00 19.61 C ATOM 157 CZ TYR A 666 8.101 2.999 14.333 1.00 20.11 C ATOM 158 OH TYR A 666 9.201 3.556 14.952 1.00 24.26 O ATOM 159 HH TYR A 666 9.947 3.617 14.304 1.00 0.00 H ATOM 160 H TYR A 666 2.299 0.368 12.017 1.00 0.00 H ATOM 161 N GLU A 667 2.907 3.607 12.105 1.00 16.80 N ATOM 162 CA GLU A 667 2.868 5.049 11.898 1.00 17.27 C ATOM 163 C GLU A 667 1.772 5.724 12.699 1.00 16.07 C ATOM 164 O GLU A 667 1.943 6.855 13.125 1.00 15.82 O ATOM 165 CB GLU A 667 2.658 5.359 10.402 1.00 19.58 C ATOM 166 CG GLU A 667 3.920 5.062 9.581 1.00 21.92 C ATOM 167 CD GLU A 667 5.012 6.122 9.759 1.00 26.23 C ATOM 168 OE1 GLU A 667 4.718 7.322 9.492 1.00 32.93 O ATOM 169 OE2 GLU A 667 6.149 5.793 10.194 1.00 30.70 O ATOM 170 H GLU A 667 2.631 2.958 11.341 1.00 0.00 H ATOM 171 N ALA A 668 0.661 5.041 12.967 1.00 16.02 N ATOM 172 CA ALA A 668 -0.407 5.649 13.768 1.00 16.27 C ATOM 173 C ALA A 668 0.111 5.908 15.204 1.00 15.91 C ATOM 174 O ALA A 668 -0.140 6.980 15.767 1.00 16.18 O ATOM 175 CB ALA A 668 -1.607 4.743 13.831 1.00 17.25 C ATOM 176 H ALA A 668 0.550 4.072 12.607 1.00 0.00 H ATOM 177 N VAL A 669 0.862 4.962 15.758 1.00 14.58 N ATOM 178 CA VAL A 669 1.401 5.168 17.085 1.00 14.82 C ATOM 179 C VAL A 669 2.463 6.234 17.050 1.00 14.25 C ATOM 180 O VAL A 669 2.496 7.118 17.894 1.00 15.52 O ATOM 181 CB VAL A 669 1.931 3.869 17.687 1.00 14.70 C ATOM 182 CG1 VAL A 669 2.559 4.115 19.060 1.00 14.61 C ATOM 183 CG2 VAL A 669 0.831 2.820 17.758 1.00 15.14 C ATOM 184 H VAL A 669 1.061 4.081 15.242 1.00 0.00 H ATOM 185 N LYS A 670 3.391 6.145 16.093 1.00 14.46 N ATOM 186 CA LYS A 670 4.486 7.132 15.972 1.00 15.30 C ATOM 187 C LYS A 670 4.007 8.568 15.794 1.00 15.56 C ATOM 188 O LYS A 670 4.542 9.509 16.414 1.00 15.59 O ATOM 189 CB LYS A 670 5.379 6.738 14.787 1.00 16.98 C ATOM 190 CG LYS A 670 6.517 7.669 14.430 1.00 21.26 C ATOM 191 CD LYS A 670 7.543 7.771 15.468 1.00 25.10 C ATOM 192 CE LYS A 670 8.829 8.373 14.861 1.00 28.42 C ATOM 193 NZ LYS A 670 8.683 9.841 14.737 1.00 31.60 N ATOM 194 HZ1 LYS A 670 7.875 10.057 14.118 1.00 0.00 H ATOM 195 HZ2 LYS A 670 8.520 10.253 15.678 1.00 0.00 H ATOM 196 HZ3 LYS A 670 9.551 10.241 14.328 1.00 0.00 H ATOM 197 H LYS A 670 3.342 5.359 15.414 1.00 0.00 H ATOM 198 N ASN A 671 2.986 8.716 14.979 1.00 15.43 N ATOM 199 CA ASN A 671 2.551 10.074 14.571 1.00 16.19 C ATOM 200 C ASN A 671 1.502 10.717 15.422 1.00 15.84 C ATOM 201 O ASN A 671 1.216 11.920 15.270 1.00 16.25 O ATOM 202 CB ASN A 671 2.074 10.010 13.098 1.00 18.04 C ATOM 203 CG ASN A 671 3.203 9.699 12.133 1.00 19.69 C ATOM 204 OD1 ASN A 671 4.372 9.994 12.371 1.00 22.86 O ATOM 205 ND2 ASN A 671 2.854 9.100 11.050 1.00 21.25 N ATOM 206 HD22 ASN A 671 1.854 8.867 10.884 1.00 0.00 H ATOM 207 HD21 ASN A 671 3.571 8.849 10.340 1.00 0.00 H ATOM 208 H ASN A 671 2.483 7.880 14.620 1.00 0.00 H ATOM 209 N TYR A 672 0.896 9.959 16.340 1.00 15.04 N ATOM 210 CA TYR A 672 -0.178 10.509 17.157 1.00 15.43 C ATOM 211 C TYR A 672 0.270 11.769 17.861 1.00 15.85 C ATOM 212 O TYR A 672 1.301 11.818 18.566 1.00 15.39 O ATOM 213 CB TYR A 672 -0.677 9.500 18.177 1.00 15.61 C ATOM 214 CG TYR A 672 -1.735 10.030 19.049 1.00 15.80 C ATOM 215 CD1 TYR A 672 -3.015 10.081 18.602 1.00 16.60 C ATOM 216 CD2 TYR A 672 -1.457 10.574 20.281 1.00 16.35 C ATOM 217 CE1 TYR A 672 -4.028 10.640 19.386 1.00 18.18 C ATOM 218 CE2 TYR A 672 -2.460 11.112 21.086 1.00 17.24 C ATOM 219 CZ TYR A 672 -3.741 11.146 20.622 1.00 18.75 C ATOM 220 OH TYR A 672 -4.733 11.690 21.443 1.00 21.12 O ATOM 221 HH TYR A 672 -4.782 11.173 22.286 1.00 0.00 H ATOM 222 H TYR A 672 1.192 8.971 16.472 1.00 0.00 H ATOM 223 N THR A 673 -0.569 12.797 17.747 1.00 15.96 N ATOM 224 CA THR A 673 -0.334 14.010 18.525 1.00 16.76 C ATOM 225 C THR A 673 -1.573 14.341 19.310 1.00 17.64 C ATOM 226 O THR A 673 -2.705 14.188 18.815 1.00 18.68 O ATOM 227 CB THR A 673 0.060 15.174 17.600 1.00 19.05 C ATOM 228 OG1 THR A 673 -0.998 15.407 16.671 1.00 21.80 O ATOM 229 CG2 THR A 673 1.319 14.849 16.825 1.00 19.57 C ATOM 230 HG1 THR A 673 -1.825 15.637 17.165 1.00 0.00 H ATOM 231 H THR A 673 -1.387 12.736 17.107 1.00 0.00 H ATOM 232 N ASP A 674 -1.391 14.857 20.521 1.00 17.41 N ATOM 233 CA ASP A 674 -2.513 15.275 21.371 1.00 18.91 C ATOM 234 C ASP A 674 -3.035 16.630 20.874 1.00 20.73 C ATOM 235 O ASP A 674 -2.535 17.176 19.900 1.00 20.69 O ATOM 236 CB ASP A 674 -2.122 15.242 22.865 1.00 18.96 C ATOM 237 CG ASP A 674 -1.162 16.341 23.275 1.00 20.36 C ATOM 238 OD1 ASP A 674 -0.847 17.253 22.465 1.00 20.54 O ATOM 239 OD2 ASP A 674 -0.700 16.241 24.453 1.00 22.09 O ATOM 240 H ASP A 674 -0.421 14.969 20.879 1.00 0.00 H ATOM 241 N LYS A 675 -4.028 17.160 21.564 1.00 23.18 N ATOM 242 CA LYS A 675 -4.620 18.427 21.119 1.00 25.98 C ATOM 243 C LYS A 675 -3.701 19.624 21.229 1.00 25.97 C ATOM 244 O LYS A 675 -3.947 20.674 20.624 1.00 28.07 O ATOM 245 CB LYS A 675 -5.895 18.680 21.915 1.00 29.16 C ATOM 246 CG LYS A 675 -6.994 17.732 21.521 1.00 31.92 C ATOM 247 CD LYS A 675 -8.219 17.942 22.380 1.00 36.15 C ATOM 248 CE LYS A 675 -9.246 16.851 22.119 1.00 39.16 C ATOM 249 NZ LYS A 675 -10.266 16.881 23.200 1.00 43.34 N ATOM 250 HZ1 LYS A 675 -9.803 16.717 24.117 1.00 0.00 H ATOM 251 HZ2 LYS A 675 -10.734 17.810 23.208 1.00 0.00 H ATOM 252 HZ3 LYS A 675 -10.973 16.137 23.029 1.00 0.00 H ATOM 253 H LYS A 675 -4.388 16.684 22.416 1.00 0.00 H ATOM 254 N ARG A 676 -2.636 19.505 22.008 1.00 24.70 N ATOM 255 CA ARG A 676 -1.672 20.572 22.140 1.00 24.82 C ATOM 256 C ARG A 676 -0.527 20.440 21.105 1.00 24.53 C ATOM 257 O ARG A 676 0.387 21.264 21.101 1.00 25.73 O ATOM 258 CB ARG A 676 -1.145 20.620 23.589 1.00 26.06 C ATOM 259 CG ARG A 676 -2.247 20.785 24.644 1.00 26.88 C ATOM 260 CD ARG A 676 -1.809 20.651 26.089 1.00 27.19 C ATOM 261 NE ARG A 676 -0.956 21.765 26.489 1.00 27.54 N ATOM 262 CZ ARG A 676 0.385 21.790 26.440 1.00 25.57 C ATOM 263 NH1 ARG A 676 1.050 20.728 26.047 1.00 26.13 N ATOM 264 NH2 ARG A 676 1.055 22.901 26.819 1.00 25.66 N ATOM 265 HE ARG A 676 -1.431 22.619 26.845 1.00 0.00 H ATOM 266 HH12 ARG A 676 2.089 20.749 26.010 1.00 0.00 H ATOM 267 HH11 ARG A 676 0.538 19.865 25.773 1.00 0.00 H ATOM 268 HH22 ARG A 676 2.094 22.920 26.781 1.00 0.00 H ATOM 269 HH21 ARG A 676 0.531 23.737 27.149 1.00 0.00 H ATOM 270 H ARG A 676 -2.491 18.622 22.537 1.00 0.00 H ATOM 271 N GLY A 677 -0.561 19.406 20.238 1.00 22.12 N ATOM 272 CA GLY A 677 0.489 19.160 19.298 1.00 22.22 C ATOM 273 C GLY A 677 1.686 18.378 19.789 1.00 20.84 C ATOM 274 O GLY A 677 2.692 18.256 19.050 1.00 23.83 O ATOM 275 H GLY A 677 -1.380 18.765 20.254 1.00 0.00 H ATOM 276 N ARG A 678 1.610 17.776 20.970 1.00 18.04 N ATOM 277 CA ARG A 678 2.730 17.003 21.477 1.00 17.13 C ATOM 278 C ARG A 678 2.653 15.585 20.887 1.00 15.87 C ATOM 279 O ARG A 678 1.574 14.959 20.914 1.00 16.10 O ATOM 280 CB ARG A 678 2.699 16.978 23.026 1.00 16.63 C ATOM 281 CG ARG A 678 3.885 16.338 23.654 1.00 16.58 C ATOM 282 CD ARG A 678 3.978 16.557 25.152 1.00 16.88 C ATOM 283 NE ARG A 678 2.877 15.972 25.885 1.00 16.60 N ATOM 284 CZ ARG A 678 2.798 14.708 26.266 1.00 16.73 C ATOM 285 NH1 ARG A 678 3.780 13.866 26.039 1.00 16.66 N ATOM 286 NH2 ARG A 678 1.724 14.260 26.927 1.00 17.60 N ATOM 287 HE ARG A 678 2.083 16.596 26.133 1.00 0.00 H ATOM 288 HH12 ARG A 678 3.698 12.876 26.347 1.00 0.00 H ATOM 289 HH11 ARG A 678 4.640 14.189 25.551 1.00 0.00 H ATOM 290 HH22 ARG A 678 1.673 13.264 27.222 1.00 0.00 H ATOM 291 HH21 ARG A 678 0.941 14.908 27.146 1.00 0.00 H ATOM 292 H ARG A 678 0.742 17.859 21.536 1.00 0.00 H ATOM 293 N ARG A 679 3.800 15.108 20.404 1.00 15.41 N ATOM 294 CA ARG A 679 3.912 13.742 19.837 1.00 17.19 C ATOM 295 C ARG A 679 4.239 12.824 21.002 1.00 16.15 C ATOM 296 O ARG A 679 5.351 12.859 21.528 1.00 16.55 O ATOM 297 CB ARG A 679 4.999 13.757 18.774 1.00 20.79 C ATOM 298 CG ARG A 679 4.992 12.551 17.928 1.00 25.75 C ATOM 299 CD ARG A 679 6.063 12.618 16.874 1.00 31.34 C ATOM 300 NE ARG A 679 5.628 13.351 15.711 1.00 38.77 N ATOM 301 CZ ARG A 679 5.667 12.925 14.442 1.00 43.13 C ATOM 302 NH1 ARG A 679 6.134 11.718 14.089 1.00 43.61 N ATOM 303 NH2 ARG A 679 5.245 13.750 13.489 1.00 46.97 N ATOM 304 HE ARG A 679 5.246 14.305 15.874 1.00 0.00 H ATOM 305 HH12 ARG A 679 6.142 11.436 13.088 1.00 0.00 H ATOM 306 HH11 ARG A 679 6.488 11.064 14.816 1.00 0.00 H ATOM 307 HH22 ARG A 679 5.263 13.448 12.494 1.00 0.00 H ATOM 308 HH21 ARG A 679 4.897 14.698 13.738 1.00 0.00 H ATOM 309 H ARG A 679 4.645 15.714 20.425 1.00 0.00 H ATOM 310 N LEU A 680 3.266 12.020 21.446 1.00 14.99 N ATOM 311 CA LEU A 680 3.441 11.191 22.636 1.00 14.83 C ATOM 312 C LEU A 680 4.503 10.107 22.440 1.00 14.47 C ATOM 313 O LEU A 680 5.071 9.657 23.428 1.00 14.84 O ATOM 314 CB LEU A 680 2.101 10.527 23.032 1.00 15.96 C ATOM 315 CG LEU A 680 1.168 11.344 23.881 1.00 17.90 C ATOM 316 CD1 LEU A 680 0.833 12.720 23.396 1.00 19.78 C ATOM 317 CD2 LEU A 680 -0.115 10.563 24.191 1.00 16.99 C ATOM 318 H LEU A 680 2.363 11.984 20.931 1.00 0.00 H ATOM 319 N SER A 681 4.791 9.702 21.212 1.00 14.39 N ATOM 320 CA SER A 681 5.784 8.651 20.961 1.00 14.48 C ATOM 321 C SER A 681 7.199 9.088 21.256 1.00 15.28 C ATOM 322 O SER A 681 8.080 8.251 21.295 1.00 15.44 O ATOM 323 CB SER A 681 5.717 8.165 19.541 1.00 15.32 C ATOM 324 OG SER A 681 6.044 9.224 18.618 1.00 16.72 O ATOM 325 HG SER A 681 6.961 9.548 18.801 1.00 0.00 H ATOM 326 H SER A 681 4.301 10.140 20.406 1.00 0.00 H ATOM 327 N ALA A 682 7.439 10.382 21.415 1.00 16.12 N ATOM 328 CA ALA A 682 8.830 10.903 21.493 1.00 18.00 C ATOM 329 C ALA A 682 9.713 10.109 22.443 1.00 16.86 C ATOM 330 O ALA A 682 10.821 9.691 22.068 1.00 18.00 O ATOM 331 CB ALA A 682 8.783 12.401 21.895 1.00 18.32 C ATOM 332 H ALA A 682 6.641 11.045 21.486 1.00 0.00 H ATOM 333 N ILE A 683 9.265 9.943 23.668 1.00 16.79 N ATOM 334 CA ILE A 683 10.076 9.311 24.690 1.00 18.24 C ATOM 335 C ILE A 683 10.306 7.830 24.363 1.00 16.54 C ATOM 336 O ILE A 683 11.282 7.242 24.842 1.00 16.05 O ATOM 337 CB ILE A 683 9.438 9.478 26.112 1.00 20.66 C ATOM 338 CG1 ILE A 683 10.394 9.120 27.258 1.00 24.30 C ATOM 339 CG2 ILE A 683 8.192 8.659 26.320 1.00 20.91 C ATOM 340 CD1 ILE A 683 11.537 10.094 27.400 1.00 24.50 C ATOM 341 H ILE A 683 8.308 10.272 23.909 1.00 0.00 H ATOM 342 N PHE A 684 9.413 7.187 23.622 1.00 14.58 N ATOM 343 CA PHE A 684 9.447 5.764 23.383 1.00 14.39 C ATOM 344 C PHE A 684 10.319 5.318 22.219 1.00 14.16 C ATOM 345 O PHE A 684 10.486 4.152 21.991 1.00 13.98 O ATOM 346 CB PHE A 684 8.029 5.219 23.149 1.00 13.76 C ATOM 347 CG PHE A 684 7.092 5.401 24.328 1.00 13.84 C ATOM 348 CD1 PHE A 684 7.213 4.609 25.435 1.00 15.01 C ATOM 349 CD2 PHE A 684 6.182 6.417 24.377 1.00 14.82 C ATOM 350 CE1 PHE A 684 6.320 4.761 26.507 1.00 15.39 C ATOM 351 CE2 PHE A 684 5.336 6.615 25.466 1.00 15.20 C ATOM 352 CZ PHE A 684 5.442 5.774 26.566 1.00 15.70 C ATOM 353 H PHE A 684 8.645 7.739 23.189 1.00 0.00 H ATOM 354 N LEU A 685 10.885 6.277 21.458 1.00 15.01 N ATOM 355 CA LEU A 685 11.617 5.889 20.282 1.00 16.20 C ATOM 356 C LEU A 685 12.855 5.070 20.556 1.00 15.89 C ATOM 357 O LEU A 685 13.064 4.042 19.972 1.00 16.16 O ATOM 358 CB LEU A 685 11.950 7.108 19.407 1.00 18.54 C ATOM 359 CG LEU A 685 10.783 7.999 18.950 1.00 21.59 C ATOM 360 CD1 LEU A 685 11.354 8.980 17.939 1.00 25.13 C ATOM 361 CD2 LEU A 685 9.690 7.262 18.252 1.00 20.79 C ATOM 362 H LEU A 685 10.794 7.280 21.717 1.00 0.00 H ATOM 363 N ARG A 686 13.628 5.491 21.552 1.00 14.91 N ATOM 364 CA ARG A 686 14.845 4.793 21.906 1.00 15.48 C ATOM 365 C ARG A 686 15.042 4.746 23.415 1.00 15.52 C ATOM 366 O ARG A 686 15.120 5.780 24.095 1.00 14.73 O ATOM 367 CB ARG A 686 16.065 5.481 21.248 1.00 16.75 C ATOM 368 CG ARG A 686 17.321 4.707 21.427 1.00 19.19 C ATOM 369 CD ARG A 686 17.372 3.496 20.498 1.00 21.39 C ATOM 370 NE ARG A 686 18.666 2.825 20.676 1.00 24.07 N ATOM 371 CZ ARG A 686 18.921 1.789 21.485 1.00 27.59 C ATOM 372 NH1 ARG A 686 17.960 1.142 22.191 1.00 27.01 N ATOM 373 NH2 ARG A 686 20.169 1.337 21.568 1.00 30.14 N ATOM 374 HE ARG A 686 19.464 3.191 20.118 1.00 0.00 H ATOM 375 HH12 ARG A 686 18.215 0.342 22.805 1.00 0.00 H ATOM 376 HH11 ARG A 686 16.968 1.446 22.118 1.00 0.00 H ATOM 377 HH22 ARG A 686 20.391 0.533 22.190 1.00 0.00 H ATOM 378 HH21 ARG A 686 20.923 1.787 21.011 1.00 0.00 H ATOM 379 H ARG A 686 13.353 6.339 22.087 1.00 0.00 H ATOM 380 N LEU A 687 15.215 3.528 23.949 1.00 15.94 N ATOM 381 CA LEU A 687 15.469 3.365 25.379 1.00 17.88 C ATOM 382 C LEU A 687 16.862 3.862 25.695 1.00 19.20 C ATOM 383 O LEU A 687 17.760 3.546 24.922 1.00 20.31 O ATOM 384 CB LEU A 687 15.353 1.881 25.716 1.00 19.15 C ATOM 385 CG LEU A 687 15.162 1.511 27.205 1.00 21.96 C ATOM 386 CD1 LEU A 687 13.976 2.110 27.896 1.00 21.13 C ATOM 387 CD2 LEU A 687 15.158 -0.001 27.431 1.00 22.53 C ATOM 388 H LEU A 687 15.168 2.688 23.337 1.00 0.00 H ATOM 389 N PRO A 688 17.039 4.627 26.800 1.00 19.24 N ATOM 390 CA PRO A 688 18.358 4.984 27.286 1.00 21.77 C ATOM 391 C PRO A 688 19.135 3.757 27.784 1.00 23.44 C ATOM 392 O PRO A 688 18.614 2.657 27.786 1.00 22.88 O ATOM 393 CB PRO A 688 18.034 5.922 28.439 1.00 21.45 C ATOM 394 CG PRO A 688 16.679 6.471 28.164 1.00 21.72 C ATOM 395 CD PRO A 688 15.969 5.334 27.516 1.00 19.49 C ATOM 396 N SER A 689 20.379 4.012 28.203 1.00 24.78 N ATOM 397 CA SER A 689 21.303 2.968 28.777 1.00 26.85 C ATOM 398 C SER A 689 21.041 2.683 30.235 1.00 25.14 C ATOM 399 O SER A 689 20.322 3.435 30.922 1.00 26.16 O ATOM 400 CB SER A 689 22.749 3.517 28.597 1.00 28.41 C ATOM 401 OG SER A 689 22.924 4.583 29.487 1.00 30.07 O ATOM 402 HG SER A 689 22.262 5.291 29.286 1.00 0.00 H ATOM 403 H SER A 689 20.730 4.988 28.129 1.00 0.00 H ATOM 404 N ARG A 690 21.640 1.600 30.788 1.00 28.90 N ATOM 405 CA ARG A 690 21.687 1.348 32.244 1.00 29.34 C ATOM 406 C ARG A 690 22.135 2.501 33.124 1.00 29.64 C ATOM 407 O ARG A 690 21.609 2.663 34.247 1.00 30.53 O ATOM 408 CB ARG A 690 22.671 0.226 32.566 1.00 29.30 C ATOM 409 CG ARG A 690 22.164 -1.167 32.273 1.00 28.35 C ATOM 410 CD ARG A 690 23.272 -2.261 32.400 1.00 26.36 C ATOM 411 NE ARG A 690 22.797 -3.464 31.779 1.00 24.39 N ATOM 412 CZ ARG A 690 22.018 -4.384 32.333 1.00 23.65 C ATOM 413 NH1 ARG A 690 21.664 -4.315 33.594 1.00 21.95 N ATOM 414 NH2 ARG A 690 21.596 -5.391 31.606 1.00 25.05 N ATOM 415 HE ARG A 690 23.093 -3.632 30.796 1.00 0.00 H ATOM 416 HH12 ARG A 690 21.052 -5.050 34.003 1.00 0.00 H ATOM 417 HH11 ARG A 690 21.995 -3.526 34.185 1.00 0.00 H ATOM 418 HH22 ARG A 690 20.985 -6.118 32.030 1.00 0.00 H ATOM 419 HH21 ARG A 690 21.873 -5.462 30.606 1.00 0.00 H ATOM 420 H ARG A 690 22.091 0.909 30.154 1.00 0.00 H ATOM 421 N SER A 691 23.146 3.226 32.639 1.00 32.69 N ATOM 422 CA SER A 691 23.726 4.379 33.333 1.00 33.95 C ATOM 423 C SER A 691 22.629 5.446 33.511 1.00 34.19 C ATOM 424 O SER A 691 22.483 6.054 34.587 1.00 34.19 O ATOM 425 CB SER A 691 24.899 4.909 32.534 1.00 38.11 C ATOM 426 OG SER A 691 25.309 6.190 32.984 1.00 46.14 O ATOM 427 HG SER A 691 26.075 6.501 32.439 1.00 0.00 H ATOM 428 H SER A 691 23.544 2.957 31.717 1.00 0.00 H ATOM 429 N GLU A 692 21.785 5.582 32.478 1.00 28.98 N ATOM 430 CA GLU A 692 20.761 6.601 32.479 1.00 28.68 C ATOM 431 C GLU A 692 19.517 6.242 33.236 1.00 28.88 C ATOM 432 O GLU A 692 18.833 7.141 33.771 1.00 29.57 O ATOM 433 CB GLU A 692 20.442 6.978 30.987 1.00 29.64 C ATOM 434 CG GLU A 692 21.662 7.522 30.211 1.00 29.82 C ATOM 435 CD GLU A 692 21.487 7.665 28.689 1.00 30.26 C ATOM 436 OE1 GLU A 692 21.111 6.696 27.997 1.00 28.36 O ATOM 437 OE2 GLU A 692 21.794 8.762 28.131 1.00 27.91 O ATOM 438 H GLU A 692 21.869 4.943 31.662 1.00 0.00 H ATOM 439 N LEU A 693 19.162 4.951 33.287 1.00 28.02 N ATOM 440 CA LEU A 693 17.971 4.526 34.011 1.00 29.10 C ATOM 441 C LEU A 693 18.427 3.375 34.894 1.00 28.66 C ATOM 442 O LEU A 693 18.296 2.228 34.489 1.00 27.80 O ATOM 443 CB LEU A 693 16.862 4.070 33.072 1.00 28.85 C ATOM 444 CG LEU A 693 16.316 5.117 32.116 1.00 28.76 C ATOM 445 CD1 LEU A 693 15.413 4.458 31.112 1.00 27.80 C ATOM 446 CD2 LEU A 693 15.565 6.197 32.876 1.00 28.75 C ATOM 447 H LEU A 693 19.746 4.240 32.802 1.00 0.00 H ATOM 448 N PRO A 694 18.984 3.695 36.082 1.00 29.16 N ATOM 449 CA PRO A 694 19.732 2.695 36.862 1.00 28.76 C ATOM 450 C PRO A 694 19.008 1.391 37.074 1.00 25.96 C ATOM 451 O PRO A 694 19.581 0.377 36.896 1.00 26.09 O ATOM 452 CB PRO A 694 19.928 3.393 38.218 1.00 30.52 C ATOM 453 CG PRO A 694 19.924 4.845 37.897 1.00 31.66 C ATOM 454 CD PRO A 694 18.845 4.959 36.837 1.00 29.99 C ATOM 455 N ASP A 695 17.752 1.454 37.495 1.00 28.96 N ATOM 456 CA ASP A 695 17.007 0.318 37.876 1.00 28.96 C ATOM 457 C ASP A 695 16.399 -0.325 36.627 1.00 23.11 C ATOM 458 O ASP A 695 15.877 -1.414 36.747 1.00 23.12 O ATOM 459 CB ASP A 695 15.827 0.777 38.834 1.00 35.00 C ATOM 460 CG ASP A 695 15.598 -0.144 40.018 1.00 43.16 C ATOM 461 OD1 ASP A 695 16.406 -1.071 40.190 1.00 54.59 O ATOM 462 OD2 ASP A 695 14.622 0.056 40.812 1.00 45.64 O ATOM 463 H ASP A 695 17.294 2.386 37.547 1.00 0.00 H ATOM 464 N TYR A 696 16.475 0.300 35.434 1.00 21.30 N ATOM 465 CA TYR A 696 15.567 -0.153 34.331 1.00 18.64 C ATOM 466 C TYR A 696 15.831 -1.564 33.850 1.00 18.43 C ATOM 467 O TYR A 696 14.962 -2.398 33.786 1.00 19.35 O ATOM 468 CB TYR A 696 15.637 0.782 33.113 1.00 18.51 C ATOM 469 CG TYR A 696 14.436 0.648 32.196 1.00 17.57 C ATOM 470 CD1 TYR A 696 14.380 -0.311 31.218 1.00 17.00 C ATOM 471 CD2 TYR A 696 13.354 1.510 32.345 1.00 16.83 C ATOM 472 CE1 TYR A 696 13.244 -0.434 30.396 1.00 16.64 C ATOM 473 CE2 TYR A 696 12.223 1.384 31.540 1.00 16.12 C ATOM 474 CZ TYR A 696 12.179 0.398 30.595 1.00 16.16 C ATOM 475 OH TYR A 696 11.064 0.287 29.812 1.00 14.86 O ATOM 476 HH TYR A 696 11.179 -0.467 29.180 1.00 0.00 H ATOM 477 H TYR A 696 17.148 1.078 35.283 1.00 0.00 H ATOM 478 N TYR A 697 17.100 -1.865 33.542 1.00 17.74 N ATOM 479 CA TYR A 697 17.420 -3.155 32.976 1.00 17.39 C ATOM 480 C TYR A 697 17.470 -4.263 34.045 1.00 17.73 C ATOM 481 O TYR A 697 17.486 -5.460 33.691 1.00 19.46 O ATOM 482 CB TYR A 697 18.708 -3.084 32.158 1.00 17.46 C ATOM 483 CG TYR A 697 18.614 -2.216 30.888 1.00 17.56 C ATOM 484 CD1 TYR A 697 18.711 -0.830 30.922 1.00 17.06 C ATOM 485 CD2 TYR A 697 18.426 -2.810 29.699 1.00 18.12 C ATOM 486 CE1 TYR A 697 18.589 -0.062 29.808 1.00 16.88 C ATOM 487 CE2 TYR A 697 18.340 -2.058 28.524 1.00 17.88 C ATOM 488 CZ TYR A 697 18.424 -0.664 28.613 1.00 17.60 C ATOM 489 OH TYR A 697 18.376 0.078 27.448 1.00 19.04 O ATOM 490 HH TYR A 697 18.446 1.041 27.668 1.00 0.00 H ATOM 491 H TYR A 697 17.855 -1.170 33.711 1.00 0.00 H ATOM 492 N LEU A 698 17.585 -3.859 35.314 1.00 17.84 N ATOM 493 CA LEU A 698 17.474 -4.809 36.396 1.00 18.93 C ATOM 494 C LEU A 698 16.035 -5.239 36.692 1.00 20.04 C ATOM 495 O LEU A 698 15.803 -6.257 37.333 1.00 21.76 O ATOM 496 CB LEU A 698 18.106 -4.255 37.686 1.00 18.34 C ATOM 497 CG LEU A 698 19.624 -3.889 37.631 1.00 18.12 C ATOM 498 CD1 LEU A 698 20.092 -3.120 38.854 1.00 18.59 C ATOM 499 CD2 LEU A 698 20.464 -5.124 37.391 1.00 19.20 C ATOM 500 H LEU A 698 17.755 -2.855 35.523 1.00 0.00 H ATOM 501 N THR A 699 15.088 -4.393 36.321 1.00 20.06 N ATOM 502 CA THR A 699 13.701 -4.709 36.668 1.00 22.70 C ATOM 503 C THR A 699 12.806 -5.014 35.482 1.00 20.84 C ATOM 504 O THR A 699 11.796 -5.691 35.691 1.00 22.37 O ATOM 505 CB THR A 699 13.093 -3.637 37.484 1.00 25.22 C ATOM 506 OG1 THR A 699 13.098 -2.451 36.722 1.00 25.33 O ATOM 507 CG2 THR A 699 13.885 -3.418 38.788 1.00 25.75 C ATOM 508 HG1 THR A 699 14.030 -2.215 36.487 1.00 0.00 H ATOM 509 H THR A 699 15.323 -3.526 35.797 1.00 0.00 H ATOM 510 N ILE A 700 13.239 -4.656 34.280 1.00 19.55 N ATOM 511 CA ILE A 700 12.447 -4.922 33.058 1.00 19.78 C ATOM 512 C ILE A 700 13.097 -6.082 32.320 1.00 19.95 C ATOM 513 O ILE A 700 14.172 -5.890 31.728 1.00 21.60 O ATOM 514 CB ILE A 700 12.340 -3.662 32.174 1.00 18.79 C ATOM 515 CG1 ILE A 700 11.631 -2.528 32.948 1.00 19.16 C ATOM 516 CG2 ILE A 700 11.590 -3.969 30.859 1.00 18.89 C ATOM 517 CD1 ILE A 700 10.254 -2.861 33.519 1.00 20.28 C ATOM 518 H ILE A 700 14.158 -4.176 34.194 1.00 0.00 H ATOM 519 N LYS A 701 12.417 -7.222 32.292 1.00 20.61 N ATOM 520 CA LYS A 701 12.980 -8.419 31.678 1.00 24.04 C ATOM 521 C LYS A 701 13.241 -8.367 30.174 1.00 22.20 C ATOM 522 O LYS A 701 14.247 -8.892 29.654 1.00 23.58 O ATOM 523 CB LYS A 701 12.076 -9.612 32.011 1.00 28.96 C ATOM 524 CG LYS A 701 12.540 -10.948 31.445 1.00 35.17 C ATOM 525 CD LYS A 701 11.645 -12.085 31.941 1.00 41.06 C ATOM 526 CE LYS A 701 11.414 -13.124 30.837 1.00 45.19 C ATOM 527 NZ LYS A 701 10.284 -14.056 31.124 1.00 48.82 N ATOM 528 HZ1 LYS A 701 10.479 -14.574 32.004 1.00 0.00 H ATOM 529 HZ2 LYS A 701 9.405 -13.511 31.228 1.00 0.00 H ATOM 530 HZ3 LYS A 701 10.184 -14.730 30.338 1.00 0.00 H ATOM 531 H LYS A 701 11.468 -7.262 32.715 1.00 0.00 H ATOM 532 N LYS A 702 12.343 -7.722 29.436 1.00 19.46 N ATOM 533 CA LYS A 702 12.415 -7.691 27.994 1.00 19.69 C ATOM 534 C LYS A 702 12.279 -6.220 27.528 1.00 18.25 C ATOM 535 O LYS A 702 11.182 -5.771 27.150 1.00 16.25 O ATOM 536 CB LYS A 702 11.325 -8.532 27.337 1.00 21.24 C ATOM 537 CG LYS A 702 11.583 -8.638 25.853 1.00 24.64 C ATOM 538 CD LYS A 702 10.613 -9.508 25.069 1.00 27.55 C ATOM 539 CE LYS A 702 11.019 -9.508 23.595 1.00 29.05 C ATOM 540 NZ LYS A 702 9.976 -10.211 22.808 1.00 31.46 N ATOM 541 HZ1 LYS A 702 9.887 -11.190 23.148 1.00 0.00 H ATOM 542 HZ2 LYS A 702 9.067 -9.719 22.922 1.00 0.00 H ATOM 543 HZ3 LYS A 702 10.245 -10.215 21.803 1.00 0.00 H ATOM 544 H LYS A 702 11.564 -7.224 29.912 1.00 0.00 H ATOM 545 N PRO A 703 13.384 -5.476 27.535 1.00 17.52 N ATOM 546 CA PRO A 703 13.377 -4.076 27.071 1.00 17.20 C ATOM 547 C PRO A 703 12.872 -3.975 25.641 1.00 16.22 C ATOM 548 O PRO A 703 13.135 -4.846 24.782 1.00 17.55 O ATOM 549 CB PRO A 703 14.823 -3.646 27.209 1.00 18.45 C ATOM 550 CG PRO A 703 15.335 -4.479 28.381 1.00 19.38 C ATOM 551 CD PRO A 703 14.703 -5.815 28.111 1.00 19.08 C ATOM 552 N MET A 704 12.146 -2.888 25.378 1.00 14.84 N ATOM 553 CA MET A 704 11.544 -2.701 24.065 1.00 14.97 C ATOM 554 C MET A 704 11.414 -1.219 23.795 1.00 14.30 C ATOM 555 O MET A 704 11.094 -0.431 24.678 1.00 14.29 O ATOM 556 CB MET A 704 10.140 -3.339 24.049 1.00 15.40 C ATOM 557 CG MET A 704 9.456 -3.350 22.693 1.00 16.04 C ATOM 558 SD MET A 704 10.350 -4.148 21.353 1.00 18.09 S ATOM 559 CE MET A 704 10.459 -5.753 22.083 1.00 19.93 C ATOM 560 H MET A 704 12.009 -2.168 26.116 1.00 0.00 H ATOM 561 N ASP A 705 11.706 -0.803 22.553 1.00 14.25 N ATOM 562 CA ASP A 705 11.436 0.541 22.115 1.00 14.54 C ATOM 563 C ASP A 705 10.979 0.546 20.710 1.00 13.66 C ATOM 564 O ASP A 705 10.973 -0.471 20.064 1.00 13.77 O ATOM 565 CB ASP A 705 12.654 1.443 22.402 1.00 14.55 C ATOM 566 CG ASP A 705 13.918 1.053 21.671 1.00 15.79 C ATOM 567 OD1 ASP A 705 13.856 0.420 20.597 1.00 17.24 O ATOM 568 OD2 ASP A 705 15.057 1.429 22.168 1.00 16.21 O ATOM 569 H ASP A 705 12.141 -1.473 21.886 1.00 0.00 H ATOM 570 N MET A 706 10.549 1.720 20.234 1.00 13.78 N ATOM 571 CA MET A 706 9.992 1.810 18.880 1.00 14.27 C ATOM 572 C MET A 706 11.042 1.627 17.810 1.00 15.33 C ATOM 573 O MET A 706 10.705 1.096 16.799 1.00 15.85 O ATOM 574 CB MET A 706 9.188 3.089 18.711 1.00 14.74 C ATOM 575 CG MET A 706 7.933 3.008 19.548 1.00 15.17 C ATOM 576 SD MET A 706 6.775 4.378 19.307 1.00 17.09 S ATOM 577 CE MET A 706 6.391 4.218 17.569 1.00 16.24 C ATOM 578 H MET A 706 10.610 2.573 20.827 1.00 0.00 H ATOM 579 N GLU A 707 12.276 1.973 18.060 1.00 16.49 N ATOM 580 CA GLU A 707 13.345 1.693 17.052 1.00 19.26 C ATOM 581 C GLU A 707 13.506 0.203 16.851 1.00 18.58 C ATOM 582 O GLU A 707 13.707 -0.257 15.723 1.00 18.91 O ATOM 583 CB GLU A 707 14.637 2.373 17.438 1.00 22.93 C ATOM 584 CG GLU A 707 14.527 3.899 17.314 1.00 27.74 C ATOM 585 CD GLU A 707 14.547 4.490 15.913 1.00 34.33 C ATOM 586 OE1 GLU A 707 14.599 3.739 14.898 1.00 37.72 O ATOM 587 OE2 GLU A 707 14.500 5.752 15.869 1.00 39.27 O ATOM 588 H GLU A 707 12.515 2.442 18.957 1.00 0.00 H ATOM 589 N LYS A 708 13.351 -0.587 17.896 1.00 17.21 N ATOM 590 CA LYS A 708 13.476 -2.033 17.767 1.00 18.12 C ATOM 591 C LYS A 708 12.352 -2.587 16.925 1.00 17.36 C ATOM 592 O LYS A 708 12.573 -3.453 16.046 1.00 18.65 O ATOM 593 CB LYS A 708 13.527 -2.727 19.142 1.00 20.66 C ATOM 594 CG LYS A 708 13.886 -4.200 19.116 1.00 26.22 C ATOM 595 CD LYS A 708 14.013 -4.810 20.511 1.00 31.65 C ATOM 596 CE LYS A 708 15.306 -4.462 21.228 1.00 36.86 C ATOM 597 NZ LYS A 708 15.153 -3.357 22.225 1.00 41.12 N ATOM 598 HZ1 LYS A 708 14.822 -2.498 21.741 1.00 0.00 H ATOM 599 HZ2 LYS A 708 14.460 -3.637 22.948 1.00 0.00 H ATOM 600 HZ3 LYS A 708 16.071 -3.170 22.677 1.00 0.00 H ATOM 601 H LYS A 708 13.137 -0.172 18.825 1.00 0.00 H ATOM 602 N ILE A 709 11.137 -2.119 17.193 1.00 16.02 N ATOM 603 CA ILE A 709 9.955 -2.532 16.409 1.00 16.60 C ATOM 604 C ILE A 709 10.142 -2.091 14.959 1.00 17.68 C ATOM 605 O ILE A 709 9.885 -2.897 14.054 1.00 18.60 O ATOM 606 CB ILE A 709 8.673 -1.900 17.017 1.00 15.71 C ATOM 607 CG1 ILE A 709 8.439 -2.519 18.387 1.00 15.36 C ATOM 608 CG2 ILE A 709 7.451 -2.155 16.155 1.00 16.26 C ATOM 609 CD1 ILE A 709 7.424 -1.798 19.227 1.00 15.53 C ATOM 610 H ILE A 709 11.015 -1.444 17.975 1.00 0.00 H ATOM 611 N ARG A 710 10.563 -0.852 14.745 1.00 18.61 N ATOM 612 CA ARG A 710 10.715 -0.324 13.373 1.00 20.55 C ATOM 613 C ARG A 710 11.735 -1.167 12.616 1.00 21.79 C ATOM 614 O ARG A 710 11.507 -1.515 11.461 1.00 21.39 O ATOM 615 CB ARG A 710 11.172 1.127 13.394 1.00 22.55 C ATOM 616 CG ARG A 710 11.252 1.792 12.022 1.00 26.56 C ATOM 617 CD ARG A 710 12.084 3.056 12.167 1.00 30.60 C ATOM 618 NE ARG A 710 12.091 3.759 10.891 1.00 38.00 N ATOM 619 CZ ARG A 710 12.885 3.480 9.857 1.00 41.86 C ATOM 620 NH1 ARG A 710 13.795 2.492 9.911 1.00 46.27 N ATOM 621 NH2 ARG A 710 12.773 4.211 8.761 1.00 45.60 N ATOM 622 HE ARG A 710 11.420 4.545 10.777 1.00 0.00 H ATOM 623 HH12 ARG A 710 14.401 2.297 9.088 1.00 0.00 H ATOM 624 HH11 ARG A 710 13.893 1.922 10.775 1.00 0.00 H ATOM 625 HH22 ARG A 710 13.381 4.014 7.940 1.00 0.00 H ATOM 626 HH21 ARG A 710 12.077 4.983 8.720 1.00 0.00 H ATOM 627 H ARG A 710 10.790 -0.242 15.556 1.00 0.00 H ATOM 628 N SER A 711 12.828 -1.505 13.255 1.00 21.70 N ATOM 629 CA SER A 711 13.875 -2.251 12.550 1.00 24.91 C ATOM 630 C SER A 711 13.410 -3.666 12.205 1.00 24.98 C ATOM 631 O SER A 711 13.753 -4.198 11.146 1.00 25.52 O ATOM 632 CB SER A 711 15.159 -2.237 13.370 1.00 26.84 C ATOM 633 OG SER A 711 15.006 -2.957 14.545 1.00 33.00 O ATOM 634 HG SER A 711 14.280 -2.555 15.085 1.00 0.00 H ATOM 635 H SER A 711 12.952 -1.246 14.255 1.00 0.00 H ATOM 636 N HIS A 712 12.624 -4.268 13.068 1.00 23.14 N ATOM 637 CA HIS A 712 12.087 -5.584 12.828 1.00 25.52 C ATOM 638 C HIS A 712 11.106 -5.545 11.669 1.00 24.56 C ATOM 639 O HIS A 712 11.136 -6.426 10.785 1.00 25.47 O ATOM 640 CB HIS A 712 11.441 -6.105 14.070 1.00 25.22 C ATOM 641 CG HIS A 712 11.382 -7.571 14.135 1.00 29.23 C ATOM 642 ND1 HIS A 712 10.229 -8.277 13.880 1.00 29.43 N ATOM 643 CD2 HIS A 712 12.349 -8.489 14.391 1.00 29.34 C ATOM 644 CE1 HIS A 712 10.468 -9.567 14.047 1.00 29.96 C ATOM 645 NE2 HIS A 712 11.745 -9.716 14.357 1.00 30.94 N ATOM 646 H HIS A 712 12.381 -3.779 13.953 1.00 0.00 H ATOM 647 N MET A 713 10.271 -4.519 11.644 1.00 22.25 N ATOM 648 CA MET A 713 9.368 -4.247 10.519 1.00 23.11 C ATOM 649 C MET A 713 10.133 -4.034 9.213 1.00 25.19 C ATOM 650 O MET A 713 9.785 -4.649 8.176 1.00 25.93 O ATOM 651 CB MET A 713 8.514 -3.017 10.817 1.00 22.54 C ATOM 652 CG MET A 713 7.536 -2.656 9.698 1.00 23.49 C ATOM 653 SD MET A 713 6.519 -1.224 10.085 1.00 25.93 S ATOM 654 CE MET A 713 7.651 0.100 10.187 1.00 25.01 C ATOM 655 H MET A 713 10.254 -3.875 12.460 1.00 0.00 H ATOM 656 N MET A 714 11.177 -3.223 9.243 1.00 26.33 N ATOM 657 CA MET A 714 11.920 -2.911 7.997 1.00 29.50 C ATOM 658 C MET A 714 12.712 -4.095 7.480 1.00 31.06 C ATOM 659 O MET A 714 12.917 -4.178 6.258 1.00 32.78 O ATOM 660 CB MET A 714 12.780 -1.662 8.165 1.00 31.41 C ATOM 661 CG MET A 714 11.966 -0.415 8.423 1.00 34.22 C ATOM 662 SD MET A 714 10.909 0.146 7.069 1.00 42.18 S ATOM 663 CE MET A 714 9.508 -0.964 7.055 1.00 42.01 C ATOM 664 H MET A 714 11.479 -2.802 10.145 1.00 0.00 H ATOM 665 N ALA A 715 13.064 -5.021 8.356 1.00 31.67 N ATOM 666 CA ALA A 715 13.720 -6.278 7.976 1.00 34.22 C ATOM 667 C ALA A 715 12.702 -7.301 7.491 1.00 35.94 C ATOM 668 O ALA A 715 13.080 -8.419 7.140 1.00 36.50 O ATOM 669 CB ALA A 715 14.482 -6.845 9.157 1.00 34.19 C ATOM 670 H ALA A 715 12.867 -4.850 9.363 1.00 0.00 H ATOM 671 N ASN A 716 11.416 -6.937 7.506 1.00 35.79 N ATOM 672 CA ASN A 716 10.331 -7.765 7.035 1.00 36.32 C ATOM 673 C ASN A 716 10.193 -9.032 7.876 1.00 36.59 C ATOM 674 O ASN A 716 9.886 -10.103 7.361 1.00 36.20 O ATOM 675 CB ASN A 716 10.550 -8.055 5.529 1.00 39.02 C ATOM 676 CG ASN A 716 9.336 -8.626 4.861 1.00 41.33 C ATOM 677 OD1 ASN A 716 8.210 -8.272 5.189 1.00 40.51 O ATOM 678 ND2 ASN A 716 9.563 -9.548 3.905 1.00 43.82 N ATOM 679 HD22 ASN A 716 10.538 -9.816 3.662 1.00 0.00 H ATOM 680 HD21 ASN A 716 8.763 -9.992 3.410 1.00 0.00 H ATOM 681 H ASN A 716 11.182 -5.996 7.881 1.00 0.00 H ATOM 682 N LYS A 717 10.413 -8.895 9.187 1.00 34.78 N ATOM 683 CA LYS A 717 10.432 -10.002 10.101 1.00 34.37 C ATOM 684 C LYS A 717 9.144 -10.221 10.880 1.00 31.47 C ATOM 685 O LYS A 717 8.992 -11.259 11.511 1.00 33.04 O ATOM 686 CB LYS A 717 11.635 -9.893 11.046 1.00 37.85 C ATOM 687 CG LYS A 717 12.983 -10.113 10.367 1.00 42.51 C ATOM 688 CD LYS A 717 14.077 -10.288 11.431 1.00 45.71 C ATOM 689 CE LYS A 717 15.336 -10.953 10.887 1.00 49.65 C ATOM 690 NZ LYS A 717 16.304 -9.989 10.293 1.00 52.07 N ATOM 691 HZ1 LYS A 717 15.850 -9.485 9.504 1.00 0.00 H ATOM 692 HZ2 LYS A 717 16.600 -9.305 11.018 1.00 0.00 H ATOM 693 HZ3 LYS A 717 17.136 -10.506 9.943 1.00 0.00 H ATOM 694 H LYS A 717 10.579 -7.940 9.564 1.00 0.00 H ATOM 695 N TYR A 718 8.191 -9.279 10.835 1.00 28.45 N ATOM 696 CA TYR A 718 6.859 -9.532 11.406 1.00 26.29 C ATOM 697 C TYR A 718 6.022 -10.309 10.381 1.00 28.40 C ATOM 698 O TYR A 718 5.844 -9.860 9.214 1.00 29.01 O ATOM 699 CB TYR A 718 6.106 -8.226 11.729 1.00 24.78 C ATOM 700 CG TYR A 718 6.624 -7.519 12.965 1.00 22.70 C ATOM 701 CD1 TYR A 718 6.583 -8.148 14.200 1.00 21.89 C ATOM 702 CD2 TYR A 718 7.176 -6.244 12.891 1.00 20.73 C ATOM 703 CE1 TYR A 718 7.034 -7.517 15.356 1.00 20.71 C ATOM 704 CE2 TYR A 718 7.650 -5.623 14.046 1.00 19.27 C ATOM 705 CZ TYR A 718 7.592 -6.265 15.239 1.00 19.86 C ATOM 706 OH TYR A 718 8.062 -5.621 16.357 1.00 18.89 O ATOM 707 HH TYR A 718 7.954 -6.210 17.145 1.00 0.00 H ATOM 708 H TYR A 718 8.395 -8.360 10.392 1.00 0.00 H ATOM 709 N GLN A 719 5.473 -11.433 10.823 1.00 30.91 N ATOM 710 CA GLN A 719 4.720 -12.312 9.924 1.00 32.55 C ATOM 711 C GLN A 719 3.251 -11.970 9.919 1.00 31.29 C ATOM 712 O GLN A 719 2.530 -12.315 8.979 1.00 34.11 O ATOM 713 CB GLN A 719 4.979 -13.775 10.325 1.00 35.86 C ATOM 714 CG GLN A 719 6.456 -14.146 10.301 1.00 39.84 C ATOM 715 CD GLN A 719 7.098 -13.896 8.937 1.00 46.02 C ATOM 716 OE1 GLN A 719 8.070 -13.135 8.821 1.00 51.46 O ATOM 717 NE2 GLN A 719 6.532 -14.503 7.891 1.00 48.40 N ATOM 718 HE22 GLN A 719 5.718 -15.134 8.034 1.00 0.00 H ATOM 719 HE21 GLN A 719 6.906 -14.345 6.933 1.00 0.00 H ATOM 720 H GLN A 719 5.579 -11.695 11.824 1.00 0.00 H ATOM 721 N ASP A 720 2.797 -11.262 10.954 1.00 28.44 N ATOM 722 CA ASP A 720 1.398 -10.894 11.086 1.00 27.65 C ATOM 723 C ASP A 720 1.273 -9.679 11.989 1.00 25.79 C ATOM 724 O ASP A 720 2.267 -9.272 12.646 1.00 26.01 O ATOM 725 CB ASP A 720 0.603 -12.052 11.689 1.00 29.90 C ATOM 726 CG ASP A 720 1.297 -12.667 12.883 1.00 32.57 C ATOM 727 OD1 ASP A 720 1.605 -11.972 13.861 1.00 31.94 O ATOM 728 OD2 ASP A 720 1.579 -13.878 12.879 1.00 36.92 O ATOM 729 H ASP A 720 3.467 -10.963 11.691 1.00 0.00 H ATOM 730 N ILE A 721 0.073 -9.140 12.049 1.00 24.58 N ATOM 731 CA ILE A 721 -0.187 -7.927 12.810 1.00 25.93 C ATOM 732 C ILE A 721 -0.127 -8.188 14.307 1.00 24.17 C ATOM 733 O ILE A 721 0.423 -7.364 15.060 1.00 21.57 O ATOM 734 CB ILE A 721 -1.513 -7.248 12.405 1.00 27.82 C ATOM 735 CG1 ILE A 721 -1.510 -6.867 10.913 1.00 30.71 C ATOM 736 CG2 ILE A 721 -1.785 -6.003 13.234 1.00 28.39 C ATOM 737 CD1 ILE A 721 -0.549 -5.728 10.613 1.00 31.92 C ATOM 738 H ILE A 721 -0.711 -9.594 11.538 1.00 0.00 H ATOM 739 N ASP A 722 -0.672 -9.322 14.755 1.00 23.94 N ATOM 740 CA ASP A 722 -0.604 -9.673 16.183 1.00 23.36 C ATOM 741 C ASP A 722 0.813 -9.620 16.724 1.00 20.79 C ATOM 742 O ASP A 722 0.978 -9.225 17.873 1.00 19.14 O ATOM 743 CB ASP A 722 -1.134 -11.088 16.475 1.00 26.44 C ATOM 744 CG ASP A 722 -2.645 -11.209 16.372 1.00 30.99 C ATOM 745 OD1 ASP A 722 -3.415 -10.206 16.473 1.00 34.16 O ATOM 746 OD2 ASP A 722 -3.067 -12.392 16.199 1.00 37.82 O ATOM 747 H ASP A 722 -1.149 -9.963 14.089 1.00 0.00 H ATOM 748 N SER A 723 1.815 -10.003 15.954 1.00 19.64 N ATOM 749 CA SER A 723 3.205 -10.031 16.399 1.00 20.34 C ATOM 750 C SER A 723 3.716 -8.644 16.684 1.00 19.42 C ATOM 751 O SER A 723 4.409 -8.428 17.656 1.00 19.79 O ATOM 752 CB SER A 723 4.108 -10.735 15.392 1.00 23.05 C ATOM 753 OG SER A 723 3.750 -12.103 15.344 1.00 28.02 O ATOM 754 HG SER A 723 2.804 -12.186 15.065 1.00 0.00 H ATOM 755 H SER A 723 1.603 -10.300 14.980 1.00 0.00 H ATOM 756 N MET A 724 3.361 -7.684 15.831 1.00 17.58 N ATOM 757 CA MET A 724 3.736 -6.292 16.090 1.00 17.56 C ATOM 758 C MET A 724 3.001 -5.746 17.295 1.00 16.64 C ATOM 759 O MET A 724 3.591 -5.075 18.140 1.00 15.04 O ATOM 760 CB MET A 724 3.457 -5.398 14.833 1.00 18.05 C ATOM 761 CG MET A 724 3.623 -3.901 15.116 1.00 18.77 C ATOM 762 SD MET A 724 3.349 -2.830 13.692 1.00 20.22 S ATOM 763 CE MET A 724 4.934 -2.919 13.089 1.00 21.06 C ATOM 764 H MET A 724 2.816 -7.924 14.978 1.00 0.00 H ATOM 765 N VAL A 725 1.704 -5.977 17.360 1.00 16.33 N ATOM 766 CA VAL A 725 0.937 -5.549 18.521 1.00 16.24 C ATOM 767 C VAL A 725 1.524 -6.087 19.821 1.00 15.89 C ATOM 768 O VAL A 725 1.661 -5.322 20.788 1.00 14.73 O ATOM 769 CB VAL A 725 -0.549 -5.924 18.363 1.00 17.53 C ATOM 770 CG1 VAL A 725 -1.327 -5.649 19.617 1.00 17.50 C ATOM 771 CG2 VAL A 725 -1.125 -5.179 17.173 1.00 18.47 C ATOM 772 H VAL A 725 1.226 -6.468 16.577 1.00 0.00 H ATOM 773 N GLU A 726 1.964 -7.333 19.840 1.00 15.89 N ATOM 774 CA GLU A 726 2.583 -7.908 21.014 1.00 17.14 C ATOM 775 C GLU A 726 3.795 -7.083 21.457 1.00 15.54 C ATOM 776 O GLU A 726 3.990 -6.911 22.656 1.00 15.16 O ATOM 777 CB GLU A 726 3.017 -9.357 20.715 1.00 20.36 C ATOM 778 CG GLU A 726 3.609 -10.124 21.847 1.00 24.50 C ATOM 779 CD GLU A 726 4.095 -11.520 21.368 1.00 30.00 C ATOM 780 OE1 GLU A 726 3.388 -12.145 20.539 1.00 33.19 O ATOM 781 OE2 GLU A 726 5.209 -11.946 21.783 1.00 34.54 O ATOM 782 H GLU A 726 1.862 -7.917 18.986 1.00 0.00 H ATOM 783 N ASP A 727 4.651 -6.640 20.540 1.00 14.68 N ATOM 784 CA ASP A 727 5.844 -5.905 20.937 1.00 14.45 C ATOM 785 C ASP A 727 5.479 -4.505 21.480 1.00 13.64 C ATOM 786 O ASP A 727 6.069 -4.042 22.440 1.00 12.74 O ATOM 787 CB ASP A 727 6.846 -5.810 19.805 1.00 15.78 C ATOM 788 CG ASP A 727 7.583 -7.128 19.551 1.00 17.86 C ATOM 789 OD1 ASP A 727 7.618 -8.014 20.409 1.00 20.00 O ATOM 790 OD2 ASP A 727 8.198 -7.236 18.464 1.00 20.12 O ATOM 791 H ASP A 727 4.467 -6.820 19.532 1.00 0.00 H ATOM 792 N PHE A 728 4.483 -3.836 20.871 1.00 12.67 N ATOM 793 CA PHE A 728 4.009 -2.573 21.426 1.00 12.96 C ATOM 794 C PHE A 728 3.407 -2.762 22.831 1.00 12.25 C ATOM 795 O PHE A 728 3.666 -1.983 23.726 1.00 11.96 O ATOM 796 CB PHE A 728 2.965 -1.896 20.498 1.00 12.77 C ATOM 797 CG PHE A 728 3.514 -1.067 19.366 1.00 12.72 C ATOM 798 CD1 PHE A 728 4.014 0.185 19.652 1.00 13.34 C ATOM 799 CD2 PHE A 728 3.473 -1.527 18.048 1.00 14.06 C ATOM 800 CE1 PHE A 728 4.522 0.975 18.676 1.00 13.56 C ATOM 801 CE2 PHE A 728 3.968 -0.722 17.065 1.00 13.97 C ATOM 802 CZ PHE A 728 4.478 0.511 17.364 1.00 13.40 C ATOM 803 H PHE A 728 4.052 -4.219 20.006 1.00 0.00 H ATOM 804 N VAL A 729 2.598 -3.792 23.025 1.00 13.01 N ATOM 805 CA VAL A 729 2.026 -4.049 24.315 1.00 12.47 C ATOM 806 C VAL A 729 3.093 -4.363 25.381 1.00 12.89 C ATOM 807 O VAL A 729 3.035 -3.905 26.512 1.00 13.01 O ATOM 808 CB VAL A 729 0.963 -5.203 24.196 1.00 12.82 C ATOM 809 CG1 VAL A 729 0.573 -5.688 25.572 1.00 13.56 C ATOM 810 CG2 VAL A 729 -0.221 -4.714 23.407 1.00 13.32 C ATOM 811 H VAL A 729 2.374 -4.424 22.230 1.00 0.00 H ATOM 812 N MET A 730 4.148 -5.045 24.985 1.00 12.75 N ATOM 813 CA MET A 730 5.291 -5.242 25.850 1.00 13.06 C ATOM 814 C MET A 730 5.888 -3.919 26.274 1.00 11.99 C ATOM 815 O MET A 730 6.156 -3.645 27.436 1.00 12.36 O ATOM 816 CB MET A 730 6.346 -6.158 25.170 1.00 14.47 C ATOM 817 CG MET A 730 7.606 -6.352 26.039 1.00 15.72 C ATOM 818 SD MET A 730 7.364 -7.279 27.568 1.00 18.74 S ATOM 819 CE MET A 730 6.908 -8.854 26.898 1.00 18.85 C ATOM 820 H MET A 730 4.160 -5.452 24.028 1.00 0.00 H ATOM 821 N MET A 731 6.111 -3.039 25.291 1.00 12.01 N ATOM 822 CA MET A 731 6.690 -1.730 25.564 1.00 12.14 C ATOM 823 C MET A 731 5.822 -0.951 26.550 1.00 11.42 C ATOM 824 O MET A 731 6.323 -0.335 27.464 1.00 11.43 O ATOM 825 CB MET A 731 6.881 -0.987 24.211 1.00 12.37 C ATOM 826 CG MET A 731 7.594 0.314 24.361 1.00 12.71 C ATOM 827 SD MET A 731 7.782 1.190 22.814 1.00 13.58 S ATOM 828 CE MET A 731 6.130 1.855 22.682 1.00 15.76 C ATOM 829 H MET A 731 5.866 -3.294 24.313 1.00 0.00 H ATOM 830 N PHE A 732 4.503 -0.948 26.333 1.00 12.03 N ATOM 831 CA PHE A 732 3.605 -0.203 27.226 1.00 11.85 C ATOM 832 C PHE A 732 3.521 -0.801 28.609 1.00 11.96 C ATOM 833 O PHE A 732 3.528 -0.078 29.568 1.00 12.33 O ATOM 834 CB PHE A 732 2.205 0.001 26.542 1.00 12.37 C ATOM 835 CG PHE A 732 2.252 0.723 25.224 1.00 13.46 C ATOM 836 CD1 PHE A 732 3.025 1.875 25.068 1.00 14.49 C ATOM 837 CD2 PHE A 732 1.496 0.242 24.153 1.00 15.34 C ATOM 838 CE1 PHE A 732 3.025 2.579 23.820 1.00 15.00 C ATOM 839 CE2 PHE A 732 1.489 0.929 22.952 1.00 15.09 C ATOM 840 CZ PHE A 732 2.238 2.056 22.795 1.00 14.87 C ATOM 841 H PHE A 732 4.110 -1.476 25.528 1.00 0.00 H ATOM 842 N ASN A 733 3.508 -2.117 28.711 1.00 12.15 N ATOM 843 CA ASN A 733 3.574 -2.760 30.006 1.00 12.86 C ATOM 844 C ASN A 733 4.879 -2.425 30.682 1.00 12.72 C ATOM 845 O ASN A 733 4.904 -2.227 31.896 1.00 13.52 O ATOM 846 CB ASN A 733 3.402 -4.288 29.913 1.00 13.38 C ATOM 847 CG ASN A 733 1.947 -4.744 29.836 1.00 14.62 C ATOM 848 OD1 ASN A 733 1.543 -5.645 29.022 1.00 17.32 O ATOM 849 ND2 ASN A 733 1.120 -4.165 30.662 1.00 13.09 N ATOM 850 HD22 ASN A 733 1.465 -3.435 31.317 1.00 0.00 H ATOM 851 HD21 ASN A 733 0.115 -4.434 30.666 1.00 0.00 H ATOM 852 H ASN A 733 3.450 -2.699 27.851 1.00 0.00 H ATOM 853 N ASN A 734 5.991 -2.401 29.960 1.00 12.31 N ATOM 854 CA ASN A 734 7.255 -2.050 30.557 1.00 12.56 C ATOM 855 C ASN A 734 7.219 -0.645 31.106 1.00 12.56 C ATOM 856 O ASN A 734 7.668 -0.374 32.207 1.00 13.29 O ATOM 857 CB ASN A 734 8.370 -2.126 29.507 1.00 13.35 C ATOM 858 CG ASN A 734 8.754 -3.545 29.065 1.00 13.79 C ATOM 859 OD1 ASN A 734 8.334 -4.561 29.664 1.00 14.55 O ATOM 860 ND2 ASN A 734 9.550 -3.611 28.039 1.00 14.08 N ATOM 861 HD22 ASN A 734 9.872 -2.738 27.574 1.00 0.00 H ATOM 862 HD21 ASN A 734 9.864 -4.536 27.683 1.00 0.00 H ATOM 863 H ASN A 734 5.950 -2.639 28.948 1.00 0.00 H ATOM 864 N ALA A 735 6.713 0.287 30.292 1.00 12.02 N ATOM 865 CA ALA A 735 6.600 1.704 30.721 1.00 12.99 C ATOM 866 C ALA A 735 5.753 1.835 31.984 1.00 12.82 C ATOM 867 O ALA A 735 6.117 2.564 32.909 1.00 13.63 O ATOM 868 CB ALA A 735 6.023 2.575 29.622 1.00 13.10 C ATOM 869 H ALA A 735 6.393 0.015 29.341 1.00 0.00 H ATOM 870 N CYS A 736 4.667 1.060 32.071 1.00 13.21 N ATOM 871 CA CYS A 736 3.781 1.170 33.230 1.00 14.34 C ATOM 872 C CYS A 736 4.284 0.384 34.429 1.00 15.61 C ATOM 873 O CYS A 736 3.772 0.556 35.556 1.00 19.11 O ATOM 874 CB CYS A 736 2.376 0.774 32.855 1.00 14.09 C ATOM 875 SG CYS A 736 1.592 1.867 31.661 1.00 16.07 S ATOM 876 H CYS A 736 4.452 0.379 31.315 1.00 0.00 H ATOM 877 N THR A 737 5.264 -0.459 34.259 1.00 15.09 N ATOM 878 CA THR A 737 5.942 -1.139 35.344 1.00 16.12 C ATOM 879 C THR A 737 6.997 -0.244 35.936 1.00 16.06 C ATOM 880 O THR A 737 7.096 -0.074 37.174 1.00 17.97 O ATOM 881 CB THR A 737 6.591 -2.427 34.831 1.00 15.83 C ATOM 882 OG1 THR A 737 5.581 -3.306 34.380 1.00 17.00 O ATOM 883 CG2 THR A 737 7.389 -3.126 35.950 1.00 16.39 C ATOM 884 HG1 THR A 737 5.072 -2.875 33.648 1.00 0.00 H ATOM 885 H THR A 737 5.578 -0.655 33.287 1.00 0.00 H ATOM 886 N TYR A 738 7.862 0.342 35.114 1.00 15.28 N ATOM 887 CA TYR A 738 8.985 1.165 35.596 1.00 16.10 C ATOM 888 C TYR A 738 8.587 2.494 36.134 1.00 15.84 C ATOM 889 O TYR A 738 9.136 2.957 37.158 1.00 17.82 O ATOM 890 CB TYR A 738 9.978 1.398 34.445 1.00 16.27 C ATOM 891 CG TYR A 738 11.220 2.057 34.920 1.00 17.91 C ATOM 892 CD1 TYR A 738 12.172 1.342 35.643 1.00 18.54 C ATOM 893 CD2 TYR A 738 11.448 3.384 34.649 1.00 18.59 C ATOM 894 CE1 TYR A 738 13.306 1.981 36.085 1.00 20.30 C ATOM 895 CE2 TYR A 738 12.615 4.018 35.077 1.00 20.93 C ATOM 896 CZ TYR A 738 13.523 3.307 35.772 1.00 21.66 C ATOM 897 OH TYR A 738 14.675 3.993 36.196 1.00 26.44 O ATOM 898 HH TYR A 738 14.412 4.743 36.786 1.00 0.00 H ATOM 899 H TYR A 738 7.741 0.214 34.089 1.00 0.00 H ATOM 900 N ASN A 739 7.627 3.129 35.472 1.00 15.43 N ATOM 901 CA ASN A 739 7.150 4.473 35.831 1.00 15.72 C ATOM 902 C ASN A 739 5.924 4.431 36.712 1.00 17.47 C ATOM 903 O ASN A 739 5.178 3.459 36.673 1.00 19.08 O ATOM 904 CB ASN A 739 6.928 5.245 34.559 1.00 15.97 C ATOM 905 CG ASN A 739 8.201 5.320 33.709 1.00 16.45 C ATOM 906 OD1 ASN A 739 9.089 6.147 34.005 1.00 18.97 O ATOM 907 ND2 ASN A 739 8.308 4.501 32.672 1.00 15.17 N ATOM 908 HD22 ASN A 739 7.545 3.827 32.461 1.00 0.00 H ATOM 909 HD21 ASN A 739 9.155 4.532 32.070 1.00 0.00 H ATOM 910 H ASN A 739 7.190 2.651 34.658 1.00 0.00 H ATOM 911 N GLU A 740 5.747 5.491 37.528 1.00 18.22 N ATOM 912 CA GLU A 740 4.592 5.543 38.430 1.00 20.80 C ATOM 913 C GLU A 740 3.315 5.905 37.693 1.00 19.51 C ATOM 914 O GLU A 740 3.336 6.602 36.696 1.00 17.96 O ATOM 915 CB GLU A 740 4.841 6.604 39.481 1.00 23.54 C ATOM 916 CG GLU A 740 6.095 6.379 40.310 1.00 27.67 C ATOM 917 CD GLU A 740 6.023 5.108 41.104 1.00 32.60 C ATOM 918 OE1 GLU A 740 4.910 4.690 41.519 1.00 36.46 O ATOM 919 OE2 GLU A 740 7.095 4.489 41.317 1.00 40.26 O ATOM 920 H GLU A 740 6.432 6.274 37.517 1.00 0.00 H ATOM 921 N PRO A 741 2.153 5.492 38.197 1.00 20.19 N ATOM 922 CA PRO A 741 0.907 5.840 37.575 1.00 20.86 C ATOM 923 C PRO A 741 0.611 7.333 37.420 1.00 21.78 C ATOM 924 O PRO A 741 -0.058 7.689 36.472 1.00 23.66 O ATOM 925 CB PRO A 741 -0.165 5.158 38.483 1.00 21.68 C ATOM 926 CG PRO A 741 0.577 4.121 39.194 1.00 21.98 C ATOM 927 CD PRO A 741 2.013 4.509 39.287 1.00 22.20 C ATOM 928 N GLU A 742 1.149 8.181 38.297 1.00 22.14 N ATOM 929 CA GLU A 742 1.016 9.613 38.213 1.00 24.51 C ATOM 930 C GLU A 742 1.943 10.238 37.160 1.00 22.80 C ATOM 931 O GLU A 742 1.762 11.405 36.790 1.00 24.25 O ATOM 932 CB GLU A 742 1.332 10.251 39.589 1.00 27.25 C ATOM 933 CG GLU A 742 0.445 9.757 40.735 1.00 31.44 C ATOM 934 CD GLU A 742 0.780 8.352 41.270 1.00 33.80 C ATOM 935 OE1 GLU A 742 1.922 7.807 41.043 1.00 30.58 O ATOM 936 OE2 GLU A 742 -0.139 7.776 41.921 1.00 39.30 O ATOM 937 H GLU A 742 1.697 7.786 39.088 1.00 0.00 H ATOM 938 N SER A 743 2.909 9.475 36.636 1.00 19.19 N ATOM 939 CA SER A 743 3.908 10.029 35.729 1.00 18.42 C ATOM 940 C SER A 743 3.337 10.233 34.343 1.00 16.88 C ATOM 941 O SER A 743 2.393 9.532 33.896 1.00 16.98 O ATOM 942 CB SER A 743 5.150 9.180 35.683 1.00 18.33 C ATOM 943 OG SER A 743 4.895 7.972 35.014 1.00 17.85 O ATOM 944 HG SER A 743 4.183 7.476 35.491 1.00 0.00 H ATOM 945 H SER A 743 2.948 8.465 36.881 1.00 0.00 H ATOM 946 N LEU A 744 3.947 11.195 33.640 1.00 16.95 N ATOM 947 CA LEU A 744 3.500 11.463 32.282 1.00 16.99 C ATOM 948 C LEU A 744 3.753 10.334 31.324 1.00 15.95 C ATOM 949 O LEU A 744 2.914 10.041 30.456 1.00 16.16 O ATOM 950 CB LEU A 744 4.137 12.779 31.792 1.00 18.23 C ATOM 951 CG LEU A 744 3.564 13.270 30.485 1.00 19.64 C ATOM 952 CD1 LEU A 744 2.029 13.442 30.525 1.00 20.22 C ATOM 953 CD2 LEU A 744 4.259 14.592 30.145 1.00 21.27 C ATOM 954 H LEU A 744 4.727 11.741 34.058 1.00 0.00 H ATOM 955 N ILE A 745 4.902 9.687 31.481 1.00 15.41 N ATOM 956 CA ILE A 745 5.170 8.555 30.597 1.00 15.81 C ATOM 957 C ILE A 745 4.125 7.453 30.771 1.00 14.66 C ATOM 958 O ILE A 745 3.668 6.837 29.783 1.00 13.99 O ATOM 959 CB ILE A 745 6.568 8.005 30.789 1.00 17.96 C ATOM 960 CG1 ILE A 745 6.828 6.848 29.829 1.00 20.02 C ATOM 961 CG2 ILE A 745 6.787 7.506 32.124 1.00 20.23 C ATOM 962 CD1 ILE A 745 8.287 6.728 29.506 1.00 22.86 C ATOM 963 H ILE A 745 5.587 9.976 32.208 1.00 0.00 H ATOM 964 N TYR A 746 3.713 7.177 31.986 1.00 14.82 N ATOM 965 CA TYR A 746 2.727 6.147 32.208 1.00 14.69 C ATOM 966 C TYR A 746 1.399 6.528 31.521 1.00 14.77 C ATOM 967 O TYR A 746 0.766 5.729 30.823 1.00 14.26 O ATOM 968 CB TYR A 746 2.530 5.996 33.697 1.00 15.76 C ATOM 969 CG TYR A 746 1.655 4.878 34.211 1.00 15.76 C ATOM 970 CD1 TYR A 746 0.290 4.892 34.052 1.00 17.64 C ATOM 971 CD2 TYR A 746 2.208 3.845 34.940 1.00 16.10 C ATOM 972 CE1 TYR A 746 -0.508 3.872 34.572 1.00 19.24 C ATOM 973 CE2 TYR A 746 1.425 2.848 35.472 1.00 18.00 C ATOM 974 CZ TYR A 746 0.089 2.856 35.246 1.00 19.60 C ATOM 975 OH TYR A 746 -0.654 1.839 35.869 1.00 23.40 O ATOM 976 HH TYR A 746 -1.611 1.941 35.636 1.00 0.00 H ATOM 977 H TYR A 746 4.100 7.704 32.795 1.00 0.00 H ATOM 978 N LYS A 747 0.999 7.798 31.687 1.00 15.54 N ATOM 979 CA LYS A 747 -0.223 8.291 31.066 1.00 16.57 C ATOM 980 C LYS A 747 -0.152 8.276 29.543 1.00 14.86 C ATOM 981 O LYS A 747 -1.094 7.838 28.878 1.00 15.38 O ATOM 982 CB LYS A 747 -0.537 9.699 31.570 1.00 18.87 C ATOM 983 CG LYS A 747 -0.860 9.765 33.043 1.00 22.64 C ATOM 984 CD LYS A 747 -0.839 11.203 33.517 1.00 26.05 C ATOM 985 CE LYS A 747 -1.293 11.301 34.957 1.00 29.59 C ATOM 986 NZ LYS A 747 -1.043 12.675 35.477 1.00 31.09 N ATOM 987 HZ1 LYS A 747 -0.026 12.885 35.423 1.00 0.00 H ATOM 988 HZ2 LYS A 747 -1.571 13.363 34.903 1.00 0.00 H ATOM 989 HZ3 LYS A 747 -1.358 12.733 36.466 1.00 0.00 H ATOM 990 H LYS A 747 1.572 8.442 32.269 1.00 0.00 H ATOM 991 N ASP A 748 1.009 8.596 28.994 1.00 14.24 N ATOM 992 CA ASP A 748 1.193 8.548 27.560 1.00 14.43 C ATOM 993 C ASP A 748 1.174 7.117 26.997 1.00 13.32 C ATOM 994 O ASP A 748 0.630 6.876 25.928 1.00 13.11 O ATOM 995 CB ASP A 748 2.495 9.219 27.177 1.00 14.34 C ATOM 996 CG ASP A 748 2.490 10.729 27.309 1.00 16.77 C ATOM 997 OD1 ASP A 748 1.425 11.390 27.514 1.00 16.63 O ATOM 998 OD2 ASP A 748 3.640 11.290 27.196 1.00 18.01 O ATOM 999 H ASP A 748 1.801 8.886 29.603 1.00 0.00 H ATOM 1000 N ALA A 749 1.705 6.151 27.754 1.00 12.40 N ATOM 1001 CA ALA A 749 1.661 4.753 27.377 1.00 12.54 C ATOM 1002 C ALA A 749 0.227 4.286 27.254 1.00 12.12 C ATOM 1003 O ALA A 749 -0.131 3.525 26.339 1.00 13.34 O ATOM 1004 CB ALA A 749 2.422 3.863 28.353 1.00 12.88 C ATOM 1005 H ALA A 749 2.167 6.413 28.648 1.00 0.00 H ATOM 1006 N LEU A 750 -0.615 4.716 28.194 1.00 12.98 N ATOM 1007 CA LEU A 750 -2.031 4.321 28.146 1.00 14.46 C ATOM 1008 C LEU A 750 -2.752 4.877 26.941 1.00 13.95 C ATOM 1009 O LEU A 750 -3.543 4.165 26.307 1.00 14.46 O ATOM 1010 CB LEU A 750 -2.771 4.671 29.416 1.00 15.84 C ATOM 1011 CG LEU A 750 -2.316 3.975 30.693 1.00 17.39 C ATOM 1012 CD1 LEU A 750 -3.091 4.533 31.867 1.00 17.70 C ATOM 1013 CD2 LEU A 750 -2.444 2.476 30.613 1.00 18.87 C ATOM 1014 H LEU A 750 -0.271 5.330 28.960 1.00 0.00 H ATOM 1015 N VAL A 751 -2.449 6.119 26.572 1.00 14.38 N ATOM 1016 CA VAL A 751 -3.087 6.729 25.402 1.00 14.59 C ATOM 1017 C VAL A 751 -2.621 6.030 24.156 1.00 13.76 C ATOM 1018 O VAL A 751 -3.434 5.674 23.271 1.00 13.53 O ATOM 1019 CB VAL A 751 -2.793 8.253 25.314 1.00 14.46 C ATOM 1020 CG1 VAL A 751 -3.265 8.780 23.970 1.00 14.77 C ATOM 1021 CG2 VAL A 751 -3.438 8.943 26.486 1.00 15.75 C ATOM 1022 H VAL A 751 -1.752 6.663 27.120 1.00 0.00 H ATOM 1023 N LEU A 752 -1.314 5.789 24.012 1.00 12.38 N ATOM 1024 CA LEU A 752 -0.814 5.147 22.796 1.00 12.87 C ATOM 1025 C LEU A 752 -1.273 3.686 22.655 1.00 13.22 C ATOM 1026 O LEU A 752 -1.453 3.211 21.567 1.00 14.21 O ATOM 1027 CB LEU A 752 0.718 5.231 22.736 1.00 13.19 C ATOM 1028 CG LEU A 752 1.218 6.661 22.501 1.00 13.40 C ATOM 1029 CD1 LEU A 752 2.749 6.643 22.492 1.00 14.40 C ATOM 1030 CD2 LEU A 752 0.702 7.245 21.192 1.00 13.63 C ATOM 1031 H LEU A 752 -0.651 6.059 24.766 1.00 0.00 H ATOM 1032 N HIS A 753 -1.473 3.022 23.790 1.00 13.58 N ATOM 1033 CA HIS A 753 -2.040 1.707 23.748 1.00 14.66 C ATOM 1034 C HIS A 753 -3.444 1.717 23.108 1.00 15.41 C ATOM 1035 O HIS A 753 -3.766 0.839 22.310 1.00 15.21 O ATOM 1036 CB HIS A 753 -2.022 1.093 25.146 1.00 15.10 C ATOM 1037 CG HIS A 753 -2.697 -0.237 25.237 1.00 15.84 C ATOM 1038 ND1 HIS A 753 -2.184 -1.424 24.734 1.00 19.10 N ATOM 1039 CD2 HIS A 753 -3.881 -0.544 25.787 1.00 14.93 C ATOM 1040 CE1 HIS A 753 -3.037 -2.411 25.002 1.00 16.91 C ATOM 1041 NE2 HIS A 753 -4.069 -1.899 25.622 1.00 18.12 N ATOM 1042 H HIS A 753 -1.220 3.454 24.701 1.00 0.00 H ATOM 1043 N LYS A 754 -4.259 2.682 23.505 1.00 15.80 N ATOM 1044 CA LYS A 754 -5.575 2.876 22.856 1.00 17.90 C ATOM 1045 C LYS A 754 -5.446 3.218 21.397 1.00 17.52 C ATOM 1046 O LYS A 754 -6.197 2.662 20.599 1.00 17.96 O ATOM 1047 CB LYS A 754 -6.400 3.915 23.581 1.00 19.29 C ATOM 1048 CG LYS A 754 -6.759 3.463 24.961 1.00 21.62 C ATOM 1049 CD LYS A 754 -7.387 4.570 25.776 1.00 23.87 C ATOM 1050 CE LYS A 754 -7.665 4.106 27.185 1.00 25.31 C ATOM 1051 NZ LYS A 754 -6.392 3.808 27.933 1.00 26.07 N ATOM 1052 HZ1 LYS A 754 -5.868 3.059 27.438 1.00 0.00 H ATOM 1053 HZ2 LYS A 754 -5.809 4.668 27.979 1.00 0.00 H ATOM 1054 HZ3 LYS A 754 -6.623 3.492 28.897 1.00 0.00 H ATOM 1055 H LYS A 754 -3.971 3.311 24.282 1.00 0.00 H ATOM 1056 N VAL A 755 -4.480 4.061 21.013 1.00 16.31 N ATOM 1057 CA VAL A 755 -4.257 4.358 19.592 1.00 16.87 C ATOM 1058 C VAL A 755 -3.955 3.078 18.825 1.00 16.80 C ATOM 1059 O VAL A 755 -4.498 2.831 17.739 1.00 18.00 O ATOM 1060 CB VAL A 755 -3.122 5.409 19.365 1.00 16.55 C ATOM 1061 CG1 VAL A 755 -2.790 5.580 17.888 1.00 17.12 C ATOM 1062 CG2 VAL A 755 -3.513 6.733 19.964 1.00 17.55 C ATOM 1063 H VAL A 755 -3.878 4.512 21.731 1.00 0.00 H ATOM 1064 N LEU A 756 -3.099 2.254 19.392 1.00 15.45 N ATOM 1065 CA LEU A 756 -2.730 0.992 18.800 1.00 15.64 C ATOM 1066 C LEU A 756 -3.940 0.116 18.571 1.00 17.40 C ATOM 1067 O LEU A 756 -4.153 -0.389 17.434 1.00 18.70 O ATOM 1068 CB LEU A 756 -1.776 0.261 19.745 1.00 16.31 C ATOM 1069 CG LEU A 756 -1.239 -1.145 19.365 1.00 17.18 C ATOM 1070 CD1 LEU A 756 -0.237 -1.134 18.229 1.00 18.87 C ATOM 1071 CD2 LEU A 756 -0.665 -1.893 20.545 1.00 17.77 C ATOM 1072 H LEU A 756 -2.673 2.524 20.302 1.00 0.00 H ATOM 1073 N LEU A 757 -4.732 -0.057 19.612 1.00 17.87 N ATOM 1074 CA LEU A 757 -5.818 -1.029 19.525 1.00 20.50 C ATOM 1075 C LEU A 757 -6.896 -0.486 18.580 1.00 21.33 C ATOM 1076 O LEU A 757 -7.488 -1.295 17.780 1.00 22.09 O ATOM 1077 CB LEU A 757 -6.314 -1.403 20.910 1.00 22.16 C ATOM 1078 CG LEU A 757 -5.346 -2.251 21.789 1.00 23.39 C ATOM 1079 CD1 LEU A 757 -6.087 -2.749 23.000 1.00 24.51 C ATOM 1080 CD2 LEU A 757 -4.640 -3.386 21.045 1.00 25.02 C ATOM 1081 H LEU A 757 -4.585 0.492 20.483 1.00 0.00 H ATOM 1082 N GLU A 758 -7.205 0.795 18.665 1.00 20.71 N ATOM 1083 CA GLU A 758 -8.185 1.439 17.778 1.00 22.72 C ATOM 1084 C GLU A 758 -7.759 1.368 16.329 1.00 23.53 C ATOM 1085 O GLU A 758 -8.585 1.067 15.440 1.00 22.06 O ATOM 1086 CB GLU A 758 -8.409 2.867 18.192 1.00 24.64 C ATOM 1087 CG GLU A 758 -9.078 2.980 19.558 1.00 28.65 C ATOM 1088 CD GLU A 758 -9.109 4.382 20.125 1.00 33.76 C ATOM 1089 OE1 GLU A 758 -8.773 5.357 19.408 1.00 37.83 O ATOM 1090 OE2 GLU A 758 -9.478 4.515 21.329 1.00 36.19 O ATOM 1091 H GLU A 758 -6.735 1.373 19.391 1.00 0.00 H ATOM 1092 N THR A 759 -6.476 1.571 16.063 1.00 21.77 N ATOM 1093 CA THR A 759 -5.973 1.491 14.695 1.00 22.54 C ATOM 1094 C THR A 759 -6.103 0.087 14.164 1.00 25.06 C ATOM 1095 O THR A 759 -6.573 -0.089 13.026 1.00 26.60 O ATOM 1096 CB THR A 759 -4.526 1.969 14.590 1.00 22.55 C ATOM 1097 OG1 THR A 759 -4.478 3.310 15.076 1.00 21.94 O ATOM 1098 CG2 THR A 759 -4.035 1.894 13.153 1.00 23.08 C ATOM 1099 HG1 THR A 759 -4.781 3.329 16.018 1.00 0.00 H ATOM 1100 H THR A 759 -5.819 1.790 16.839 1.00 0.00 H ATOM 1101 N ARG A 760 -5.776 -0.907 14.973 1.00 24.70 N ATOM 1102 CA ARG A 760 -5.838 -2.289 14.495 1.00 27.45 C ATOM 1103 C ARG A 760 -7.273 -2.646 14.189 1.00 28.47 C ATOM 1104 O ARG A 760 -7.565 -3.283 13.122 1.00 28.28 O ATOM 1105 CB ARG A 760 -5.291 -3.284 15.493 1.00 28.71 C ATOM 1106 CG ARG A 760 -5.443 -4.732 14.982 1.00 30.16 C ATOM 1107 CD ARG A 760 -5.067 -5.743 16.020 1.00 32.00 C ATOM 1108 NE ARG A 760 -5.841 -5.542 17.226 1.00 33.79 N ATOM 1109 CZ ARG A 760 -5.565 -6.147 18.358 1.00 34.92 C ATOM 1110 NH1 ARG A 760 -4.561 -7.008 18.396 1.00 36.60 N ATOM 1111 NH2 ARG A 760 -6.316 -5.935 19.429 1.00 36.35 N ATOM 1112 HE ARG A 760 -6.651 -4.890 17.195 1.00 0.00 H ATOM 1113 HH12 ARG A 760 -4.328 -7.496 19.284 1.00 0.00 H ATOM 1114 HH11 ARG A 760 -4.005 -7.196 17.538 1.00 0.00 H ATOM 1115 HH22 ARG A 760 -6.094 -6.416 20.324 1.00 0.00 H ATOM 1116 HH21 ARG A 760 -7.128 -5.287 19.375 1.00 0.00 H ATOM 1117 H ARG A 760 -5.475 -0.707 15.948 1.00 0.00 H ATOM 1118 N ARG A 761 -8.178 -2.247 15.073 1.00 29.69 N ATOM 1119 CA ARG A 761 -9.607 -2.546 14.902 1.00 32.79 C ATOM 1120 C ARG A 761 -10.183 -1.880 13.640 1.00 34.88 C ATOM 1121 O ARG A 761 -10.962 -2.520 12.897 1.00 34.14 O ATOM 1122 CB ARG A 761 -10.378 -2.120 16.136 1.00 34.94 C ATOM 1123 CG ARG A 761 -11.895 -2.316 16.100 1.00 38.14 C ATOM 1124 CD ARG A 761 -12.567 -1.291 16.997 1.00 39.92 C ATOM 1125 NE ARG A 761 -12.202 0.045 16.544 1.00 41.62 N ATOM 1126 CZ ARG A 761 -12.203 1.159 17.279 1.00 43.01 C ATOM 1127 NH1 ARG A 761 -12.596 1.167 18.555 1.00 43.20 N ATOM 1128 NH2 ARG A 761 -11.806 2.292 16.707 1.00 42.94 N ATOM 1129 HE ARG A 761 -11.912 0.140 15.550 1.00 0.00 H ATOM 1130 HH12 ARG A 761 -12.583 2.054 19.097 1.00 0.00 H ATOM 1131 HH11 ARG A 761 -12.915 0.286 19.007 1.00 0.00 H ATOM 1132 HH22 ARG A 761 -11.796 3.176 17.255 1.00 0.00 H ATOM 1133 HH21 ARG A 761 -11.505 2.294 15.711 1.00 0.00 H ATOM 1134 H ARG A 761 -7.869 -1.709 15.908 1.00 0.00 H ATOM 1135 N ASP A 762 -9.798 -0.639 13.371 1.00 34.27 N ATOM 1136 CA ASP A 762 -10.263 0.098 12.171 1.00 37.28 C ATOM 1137 C ASP A 762 -9.677 -0.395 10.873 1.00 39.42 C ATOM 1138 O ASP A 762 -10.123 0.036 9.810 1.00 41.76 O ATOM 1139 CB ASP A 762 -9.952 1.584 12.274 1.00 38.14 C ATOM 1140 CG ASP A 762 -10.675 2.247 13.404 1.00 42.22 C ATOM 1141 OD1 ASP A 762 -11.603 1.622 13.971 1.00 46.63 O ATOM 1142 OD2 ASP A 762 -10.295 3.390 13.731 1.00 44.50 O ATOM 1143 H ASP A 762 -9.145 -0.165 14.027 1.00 0.00 H ATOM 1144 N LEU A 763 -8.680 -1.260 10.942 1.00 39.52 N ATOM 1145 CA LEU A 763 -8.187 -1.963 9.781 1.00 41.53 C ATOM 1146 C LEU A 763 -8.625 -3.439 9.750 1.00 43.95 C ATOM 1147 O LEU A 763 -8.169 -4.182 8.896 1.00 45.93 O ATOM 1148 CB LEU A 763 -6.668 -1.817 9.712 1.00 40.02 C ATOM 1149 CG LEU A 763 -6.246 -0.344 9.762 1.00 39.26 C ATOM 1150 CD1 LEU A 763 -4.728 -0.218 9.886 1.00 38.05 C ATOM 1151 CD2 LEU A 763 -6.791 0.429 8.562 1.00 39.37 C ATOM 1152 H LEU A 763 -8.235 -1.441 11.865 1.00 0.00 H ATOM 1153 N GLU A 764 -9.535 -3.836 10.643 1.00 46.16 N ATOM 1154 CA GLU A 764 -10.026 -5.222 10.736 1.00 51.25 C ATOM 1155 C GLU A 764 -10.572 -5.717 9.391 1.00 51.21 C ATOM 1156 O GLU A 764 -10.330 -6.859 9.021 1.00 50.42 O ATOM 1157 CB GLU A 764 -11.113 -5.351 11.823 1.00 54.49 C ATOM 1158 CG GLU A 764 -11.552 -6.775 12.164 1.00 59.03 C ATOM 1159 CD GLU A 764 -10.526 -7.552 12.970 1.00 62.53 C ATOM 1160 OE1 GLU A 764 -9.649 -6.929 13.621 1.00 66.21 O ATOM 1161 OE2 GLU A 764 -10.606 -8.803 12.960 1.00 66.78 O ATOM 1162 H GLU A 764 -9.916 -3.131 11.306 1.00 0.00 H ATOM 1163 N GLY A 765 -11.273 -4.847 8.664 1.00 51.00 N ATOM 1164 CA GLY A 765 -11.774 -5.187 7.326 1.00 54.35 C ATOM 1165 C GLY A 765 -10.752 -5.165 6.190 1.00 55.62 C ATOM 1166 O GLY A 765 -11.080 -5.540 5.056 1.00 56.22 O ATOM 1167 H GLY A 765 -11.470 -3.903 9.054 1.00 0.00 H ATOM 1168 N ASP A 766 -9.521 -4.737 6.477 1.00 54.86 N ATOM 1169 CA ASP A 766 -8.524 -4.482 5.448 1.00 54.13 C ATOM 1170 C ASP A 766 -7.386 -5.507 5.478 1.00 53.75 C ATOM 1171 O ASP A 766 -7.192 -6.226 6.472 1.00 52.91 O ATOM 1172 CB ASP A 766 -8.006 -3.053 5.611 1.00 54.79 C ATOM 1173 CG ASP A 766 -9.096 -2.007 5.380 1.00 55.21 C ATOM 1174 OD1 ASP A 766 -9.620 -1.966 4.246 1.00 54.45 O ATOM 1175 OD2 ASP A 766 -9.418 -1.225 6.309 1.00 51.78 O ATOM 1176 H ASP A 766 -9.265 -4.580 7.473 1.00 0.00 H TER 1177 ASP A 766 HETATM 1178 O HOH 1 -3.488 -9.039 19.031 1.00 41.43 O HETATM 1179 O HOH 2 15.718 -1.256 23.258 1.00 42.41 O HETATM 1180 O HOH 3 -4.783 -7.239 20.812 1.00 40.60 O HETATM 1181 O HOH 4 2.826 13.706 14.037 1.00 38.20 O HETATM 1182 O HOH 5 14.695 6.487 36.593 1.00 36.56 O HETATM 1183 O HOH 6 4.369 1.361 37.902 1.00 27.72 O HETATM 1184 O HOH 7 -1.899 15.045 26.363 1.00 30.62 O HETATM 1185 O HOH 8 -5.339 1.520 27.447 1.00 32.52 O HETATM 1186 O HOH 9 -4.453 12.534 23.871 1.00 27.50 O HETATM 1187 O HOH 10 -3.148 2.237 36.472 1.00 30.12 O HETATM 1188 O HOH 11 -1.150 11.435 27.882 1.00 26.58 O HETATM 1189 O HOH 12 19.467 -0.931 34.650 1.00 29.72 O HETATM 1190 O HOH 13 17.426 -9.226 32.309 1.00 36.24 O HETATM 1191 O HOH 14 -7.718 -3.972 18.389 1.00 29.06 O HETATM 1192 O HOH 15 2.777 9.733 19.236 1.00 15.58 O HETATM 1193 O HOH 16 -6.877 3.017 30.431 1.00 36.25 O HETATM 1194 O HOH 17 4.474 -9.596 3.148 1.00 35.66 O HETATM 1195 O HOH 18 14.709 -7.004 24.647 1.00 35.43 O HETATM 1196 O HOH 19 10.372 -8.599 17.703 1.00 43.08 O HETATM 1197 O HOH 20 6.266 11.225 27.711 1.00 31.40 O HETATM 1198 O HOH 21 0.699 17.843 26.079 1.00 19.09 O HETATM 1199 O HOH 22 15.825 -3.366 9.651 1.00 36.86 O HETATM 1200 O HOH 23 10.672 -1.425 37.292 1.00 35.45 O HETATM 1201 O HOH 24 23.269 10.480 29.595 1.00 38.14 O HETATM 1202 O HOH 25 13.867 7.798 25.377 1.00 20.12 O HETATM 1203 O HOH 26 6.238 -5.779 30.853 1.00 21.82 O HETATM 1204 O HOH 27 16.785 -6.370 31.230 1.00 25.48 O HETATM 1205 O HOH 28 4.069 9.335 41.668 1.00 44.28 O HETATM 1206 O HOH 29 10.236 5.746 13.713 1.00 33.87 O HETATM 1207 O HOH 30 -5.414 5.522 13.773 1.00 40.26 O HETATM 1208 O HOH 31 18.104 -0.833 24.882 1.00 33.89 O HETATM 1209 O HOH 32 -2.451 0.113 -1.565 1.00 31.81 O HETATM 1210 O HOH 33 19.554 9.693 34.469 1.00 30.46 O HETATM 1211 O HOH 34 2.876 5.958 42.859 1.00 46.16 O HETATM 1212 O HOH 35 -3.390 17.081 17.291 1.00 33.04 O HETATM 1213 O HOH 36 8.150 10.760 17.745 1.00 29.37 O HETATM 1214 O HOH 37 -12.943 3.271 20.292 1.00 43.37 O HETATM 1215 O HOH 38 19.952 -6.658 33.966 1.00 24.48 O HETATM 1216 O HOH 39 15.046 1.266 13.764 1.00 40.80 O HETATM 1217 O HOH 40 -2.330 7.162 34.990 1.00 34.43 O HETATM 1218 O HOH 41 -2.108 8.715 14.872 1.00 21.61 O HETATM 1219 O HOH 42 3.322 -8.500 24.831 1.00 17.12 O HETATM 1220 O HOH 43 2.354 13.920 37.808 1.00 35.20 O HETATM 1221 O HOH 44 11.019 -1.131 27.422 1.00 14.99 O HETATM 1222 O HOH 45 -0.962 -9.568 19.842 1.00 26.96 O HETATM 1223 O HOH 46 6.187 -10.560 23.993 1.00 41.62 O HETATM 1224 O HOH 47 13.367 8.584 22.317 1.00 20.57 O HETATM 1225 O HOH 48 -1.033 1.739 2.048 1.00 42.62 O HETATM 1226 O HOH 49 7.695 -8.616 23.153 1.00 23.72 O HETATM 1227 O HOH 50 6.854 11.297 24.849 1.00 19.09 O HETATM 1228 O HOH 51 8.548 8.738 34.978 1.00 27.66 O HETATM 1229 O HOH 52 9.600 -7.003 30.293 1.00 16.93 O HETATM 1230 O HOH 53 -0.946 5.459 10.110 1.00 23.85 O HETATM 1231 O HOH 54 -3.671 8.210 30.017 1.00 23.24 O HETATM 1232 O HOH 55 5.522 18.547 18.811 1.00 33.88 O HETATM 1233 O HOH 56 0.956 1.909 4.991 1.00 29.47 O HETATM 1234 O HOH 57 -5.437 15.004 19.085 1.00 34.39 O HETATM 1235 O HOH 58 6.123 -12.436 13.428 1.00 33.35 O HETATM 1236 O HOH 59 10.784 1.390 38.909 1.00 41.73 O HETATM 1237 O HOH 60 16.427 -0.269 19.485 1.00 27.96 O HETATM 1238 O HOH 61 -11.689 -2.092 7.914 1.00 43.24 O HETATM 1239 O HOH 62 6.333 -10.383 18.553 1.00 37.25 O HETATM 1240 O HOH 63 5.983 12.811 34.923 1.00 21.41 O HETATM 1241 O HOH 64 -1.609 -4.871 31.357 1.00 21.18 O HETATM 1242 O HOH 65 -2.440 -11.086 13.269 1.00 30.48 O HETATM 1243 O HOH 66 6.084 -2.867 6.521 1.00 30.90 O HETATM 1244 O HOH 67 7.758 7.605 37.562 1.00 24.27 O HETATM 1245 O HOH 68 -7.160 -6.409 22.187 1.00 40.09 O HETATM 1246 O HOH 69 6.291 16.633 20.536 1.00 20.32 O HETATM 1247 O HOH 70 0.122 -9.490 2.227 1.00 28.47 O HETATM 1248 O HOH 71 16.783 8.012 35.700 1.00 33.97 O HETATM 1249 O HOH 72 -2.816 12.625 15.848 1.00 23.74 O HETATM 1250 O HOH 73 3.209 -7.605 27.564 1.00 17.55 O HETATM 1251 O HOH 74 25.236 2.188 30.818 1.00 42.53 O HETATM 1252 O HOH 75 -5.699 6.670 28.307 1.00 30.41 O HETATM 1253 O HOH 76 -2.386 -10.194 10.761 1.00 35.53 O HETATM 1254 O HOH 77 12.573 10.695 19.877 1.00 38.76 O HETATM 1255 O HOH 78 0.043 8.171 10.680 1.00 28.15 O HETATM 1256 O HOH 79 7.082 10.945 33.089 1.00 23.19 O HETATM 1257 O HOH 80 15.712 7.516 18.004 1.00 35.34 O HETATM 1258 O HOH 81 6.307 13.931 24.325 1.00 23.60 O HETATM 1259 O HOH 82 5.221 -5.957 35.874 1.00 33.52 O HETATM 1260 O HOH 83 -0.461 4.794 42.603 1.00 48.15 O HETATM 1261 O HOH 84 -5.536 15.262 23.636 1.00 32.02 O HETATM 1262 O HOH 85 -8.954 -4.655 20.738 1.00 43.39 O HETATM 1263 O HOH 86 9.195 -6.928 33.111 1.00 39.33 O HETATM 1264 O HOH 87 -3.780 17.685 25.077 1.00 52.19 O HETATM 1265 O HOH 88 0.975 -9.109 28.237 1.00 30.34 O HETATM 1266 O HOH 89 -7.329 5.827 30.778 1.00 40.84 O HETATM 1267 O HOH 90 -0.703 -8.193 22.231 1.00 25.21 O HETATM 1268 O HOH 91 3.100 -7.664 31.829 1.00 28.81 O HETATM 1269 O HOH 92 15.190 -7.064 13.499 1.00 51.37 O HETATM 1270 O HOH 93 -6.259 8.437 17.289 1.00 49.18 O HETATM 1271 O HOH 94 4.199 -10.894 25.438 1.00 34.76 O HETATM 1272 O HOH 95 4.794 -7.776 29.770 1.00 21.50 O HETATM 1273 O HOH 96 0.535 -11.948 23.418 1.00 38.57 O HETATM 1274 O HOH 97 26.018 2.751 35.574 1.00 39.97 O HETATM 1275 O HOH 98 8.675 -9.639 30.143 1.00 26.54 O HETATM 1276 O HOH 99 -3.766 6.065 11.040 1.00 35.86 O HETATM 1277 O HOH 100 -6.487 10.958 25.225 1.00 37.13 O HETATM 1278 O HOH 101 9.303 -3.187 39.110 1.00 37.62 O HETATM 1279 O HOH 102 0.723 -9.380 24.335 1.00 22.37 O HETATM 1280 O HOH 103 -1.460 9.758 12.252 1.00 33.88 O HETATM 1281 O HOH 104 0.266 5.645 7.599 1.00 37.63 O HETATM 1282 O HOH 105 28.926 3.390 32.580 1.00 41.70 O HETATM 1283 O HOH 106 12.987 10.596 36.598 1.00 31.39 O HETATM 1284 O HOH 107 7.036 10.056 38.845 1.00 40.98 O HETATM 1285 O HOH 108 -5.346 11.483 15.825 1.00 44.38 O HETATM 1286 O HOH 109 -3.990 8.151 32.946 1.00 28.56 O HETATM 1287 O HOH 110 5.968 -10.055 30.073 1.00 35.19 O HETATM 1288 C4 UNN A 111 12.720 7.478 29.793 1.00 0.02 C HETATM 1289 C5 UNN A 111 12.773 6.680 28.510 1.00 0.11 C HETATM 1290 N1 UNN A 111 11.848 5.564 28.755 1.00 -0.12 N HETATM 1291 C6 UNN A 111 11.447 4.630 27.810 1.00 0.14 C HETATM 1292 C11 UNN A 111 10.579 3.606 28.260 1.00 0.12 C HETATM 1293 C10 UNN A 111 10.149 2.708 27.266 1.00 0.06 C HETATM 1294 C9 UNN A 111 10.615 2.757 25.961 1.00 -0.05 C HETATM 1295 C8 UNN A 111 11.484 3.753 25.582 1.00 -0.06 C HETATM 1296 C7 UNN A 111 11.901 4.690 26.492 1.00 -0.02 C HETATM 1297 H3 UNN A 111 12.582 5.476 26.188 1.00 0.06 H HETATM 1298 H4 UNN A 111 11.841 3.798 24.559 1.00 0.06 H HETATM 1299 H5 UNN A 111 10.295 2.012 25.241 1.00 0.06 H HETATM 1300 CL UNN A 111 8.931 1.514 27.576 1.00 -0.07 CL HETATM 1301 C12 UNN A 111 10.208 3.560 29.704 1.00 0.28 C HETATM 1302 N2 UNN A 111 10.651 4.590 30.526 1.00 -0.14 N HETATM 1303 C13 UNN A 111 11.441 5.532 30.066 1.00 0.32 C HETATM 1304 C3 UNN A 111 11.978 6.626 30.777 1.00 0.12 C HETATM 1305 C2 UNN A 111 11.806 6.807 32.105 1.00 0.02 C HETATM 1306 N UNN A 111 12.148 7.792 32.930 1.00 -0.39 N HETATM 1307 C1 UNN A 111 12.779 9.068 32.499 1.00 -0.01 C HETATM 1308 H8 UNN A 111 12.957 9.704 33.378 1.00 0.04 H HETATM 1309 H9 UNN A 111 12.110 9.589 31.798 1.00 0.04 H HETATM 1310 H10 UNN A 111 13.737 8.854 32.002 1.00 0.04 H HETATM 1311 C UNN A 111 11.878 7.737 34.347 1.00 -0.01 C HETATM 1312 H11 UNN A 111 11.414 6.771 34.595 1.00 0.04 H HETATM 1313 H12 UNN A 111 11.194 8.553 34.622 1.00 0.04 H HETATM 1314 H13 UNN A 111 12.820 7.845 34.904 1.00 0.04 H HETATM 1315 H7 UNN A 111 11.286 5.986 32.595 1.00 0.11 H HETATM 1316 H6 UNN A 111 10.363 4.614 31.483 1.00 0.30 H HETATM 1317 O UNN A 111 9.626 2.572 30.209 1.00 -0.35 O HETATM 1318 H2 UNN A 111 13.359 6.884 27.615 1.00 0.14 H HETATM 1319 H1 UNN A 111 13.136 8.469 29.966 1.00 0.06 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1288 1289 1304 1319 CONECT 1289 1288 1290 1318 CONECT 1290 1289 1291 1303 CONECT 1291 1290 1292 1296 CONECT 1292 1291 1293 1301 CONECT 1293 1292 1294 1300 CONECT 1294 1293 1295 1299 CONECT 1295 1294 1296 1298 CONECT 1296 1291 1295 1297 CONECT 1297 1296 CONECT 1298 1295 CONECT 1299 1294 CONECT 1300 1293 CONECT 1301 1292 1302 1317 CONECT 1302 1301 1303 1316 CONECT 1303 1290 1302 1304 CONECT 1304 1288 1303 1305 CONECT 1305 1304 1306 1315 CONECT 1306 1305 1307 1311 CONECT 1307 1306 1308 1309 1310 CONECT 1308 1307 CONECT 1309 1307 CONECT 1310 1307 CONECT 1311 1306 1312 1313 1314 CONECT 1312 1311 CONECT 1313 1311 CONECT 1314 1311 CONECT 1315 1305 CONECT 1316 1302 CONECT 1317 1301 CONECT 1318 1289 CONECT 1319 1288 MASTER 0 0 0 0 0 0 0 0 1318 1 36 9 END
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Related entries of code: 5fh7
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
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RCSB PDB
PDBbind
124aa, >5FH6_1|Chains... *
5fh8
RCSB PDB
PDBbind
124aa, >5FH8_1|Chains... at 100%
5hrv
RCSB PDB
PDBbind
124aa, >5HRV_1|Chain... at 100%
5hrw
RCSB PDB
PDBbind
124aa, >5HRW_1|Chains... at 100%
5hrx
RCSB PDB
PDBbind
124aa, >5HRX_1|Chains... at 100%
5ii1
RCSB PDB
PDBbind
124aa, >5II1_1|Chains... at 100%
5ii2
RCSB PDB
PDBbind
124aa, >5II2_1|Chains... at 100%
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
5fh7
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
fifth bromodomain of human PB1
Ligand Name
5XL
EC.Number
E.C.-.-.-.-
Resolution
1.47(Å)
Affinity (Kd/Ki/IC50)
Kd=137nM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J.Med.Chem. Vol. 59: pp. 5095-5101
Ligand Properties
Formula
C
1
4
H
1
3
ClN
3
O
Molecular Weight
274.726
Exact Mass
274.075
No. of atoms
32
No. of bonds
34
Polar Surface Area
49.63
LOGP Value
1.75 (
Computed with XLOGP3
)
2.65 (
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: 4
No. of Rings: 3
Canonical SMILES
C[N](=Cc1ccn2c1[nH]c(=O)c1c2cccc1Cl)C
InChI String
InChI=1S/C14H13ClN3O/c1-17(2)8-9-6-7-18-11-5-3-4-10(15)12(11)14(19)16-13(9)18/h3-8H,1-2H3,(H,16,19)
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):
Q86U86
Entrez Gene ID
NCBI Entrez Gene ID:
55193
ASD
Information of known allosteric effects of PDB entries
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