Browse entries in the PDBbind-CN Database
HEADER 5HRX_COMPLEX COMPND 5HRX_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 110 TYR MET THR PRO MET GLN GLN LYS LEU ASN GLU VAL TYR SEQRES 2 A 110 GLU ALA VAL LYS ASN TYR THR ASP LYS ARG GLY ARG ARG SEQRES 3 A 110 LEU SER ALA ILE PHE LEU ARG LEU PRO SER ARG SER GLU SEQRES 4 A 110 LEU PRO ASP TYR TYR LEU THR ILE LYS LYS PRO MET ASP SEQRES 5 A 110 MET GLU LYS ILE ARG SER HIS MET MET ALA ASN LYS TYR SEQRES 6 A 110 GLN ASP ILE ASP SER MET VAL GLU ASP PHE VAL MET MET SEQRES 7 A 110 PHE ASN ASN ALA CYS THR TYR ASN GLU PRO GLU SER LEU SEQRES 8 A 110 ILE TYR LYS ASP ALA LEU VAL LEU HIS LYS VAL LEU LEU SEQRES 9 A 110 GLU THR ARG ARG ASP LEU HET UNN A 150 32 ATOM 1 N TYR A 654 -5.072 -2.618 -30.261 1.00 57.31 N ATOM 2 CA TYR A 654 -4.029 -2.787 -31.285 1.00 57.30 C ATOM 3 C TYR A 654 -4.228 -4.045 -32.233 1.00 58.55 C ATOM 4 O TYR A 654 -4.213 -3.859 -33.459 1.00 63.66 O ATOM 5 CB TYR A 654 -2.659 -2.733 -30.611 1.00 59.13 C ATOM 6 CG TYR A 654 -2.415 -4.012 -29.871 1.00 57.82 C ATOM 7 CD1 TYR A 654 -1.824 -5.079 -30.540 1.00 59.01 C ATOM 8 CD2 TYR A 654 -2.863 -4.210 -28.560 1.00 55.56 C ATOM 9 CE1 TYR A 654 -1.648 -6.278 -29.935 1.00 56.72 C ATOM 10 CE2 TYR A 654 -2.667 -5.413 -27.946 1.00 51.68 C ATOM 11 CZ TYR A 654 -2.058 -6.425 -28.657 1.00 52.61 C ATOM 12 OH TYR A 654 -1.823 -7.636 -28.157 1.00 55.15 O ATOM 13 HH TYR A 654 -2.680 -8.055 -27.893 1.00 0.00 H ATOM 14 HN3 TYR A 654 -5.093 -3.457 -29.647 1.00 0.00 H ATOM 15 HN2 TYR A 654 -5.996 -2.503 -30.725 1.00 0.00 H ATOM 16 HN1 TYR A 654 -4.862 -1.775 -29.690 1.00 0.00 H ATOM 17 N MET A 655 -4.455 -5.280 -31.734 1.00 58.53 N ATOM 18 CA MET A 655 -4.693 -6.451 -32.649 1.00 58.22 C ATOM 19 C MET A 655 -5.549 -7.687 -32.257 1.00 52.72 C ATOM 20 O MET A 655 -6.708 -7.489 -31.925 1.00 52.81 O ATOM 21 CB MET A 655 -3.418 -6.848 -33.361 1.00 62.90 C ATOM 22 CG MET A 655 -3.543 -6.699 -34.866 1.00 66.04 C ATOM 23 SD MET A 655 -2.983 -8.186 -35.708 1.00 74.56 S ATOM 24 CE MET A 655 -1.290 -8.417 -35.121 1.00 72.04 C ATOM 25 H MET A 655 -4.465 -5.423 -30.704 1.00 0.00 H ATOM 26 N THR A 656 -5.057 -8.932 -32.364 1.00 47.04 N ATOM 27 CA THR A 656 -5.935 -10.109 -32.170 1.00 46.31 C ATOM 28 C THR A 656 -6.402 -10.266 -30.730 1.00 44.00 C ATOM 29 O THR A 656 -5.660 -9.833 -29.828 1.00 40.81 O ATOM 30 CB THR A 656 -5.276 -11.449 -32.467 1.00 45.28 C ATOM 31 OG1 THR A 656 -4.270 -11.688 -31.496 1.00 45.80 O ATOM 32 CG2 THR A 656 -4.711 -11.491 -33.868 1.00 47.89 C ATOM 33 HG1 THR A 656 -3.595 -10.965 -31.537 1.00 0.00 H ATOM 34 H THR A 656 -4.050 -9.071 -32.585 1.00 0.00 H ATOM 35 N PRO A 657 -7.584 -10.934 -30.513 1.00 42.76 N ATOM 36 CA PRO A 657 -8.118 -11.135 -29.166 1.00 40.94 C ATOM 37 C PRO A 657 -7.075 -11.668 -28.176 1.00 40.61 C ATOM 38 O PRO A 657 -6.915 -11.093 -27.105 1.00 38.37 O ATOM 39 CB PRO A 657 -9.242 -12.149 -29.367 1.00 42.60 C ATOM 40 CG PRO A 657 -9.732 -11.906 -30.756 1.00 43.28 C ATOM 41 CD PRO A 657 -8.600 -11.298 -31.548 1.00 44.95 C ATOM 42 N MET A 658 -6.370 -12.730 -28.549 1.00 40.48 N ATOM 43 CA MET A 658 -5.451 -13.345 -27.571 1.00 41.30 C ATOM 44 C MET A 658 -4.187 -12.512 -27.384 1.00 38.81 C ATOM 45 O MET A 658 -3.695 -12.419 -26.278 1.00 35.32 O ATOM 46 CB MET A 658 -5.117 -14.792 -27.854 1.00 44.91 C ATOM 47 CG MET A 658 -4.444 -15.461 -26.629 1.00 47.73 C ATOM 48 SD MET A 658 -3.582 -16.936 -27.150 1.00 54.83 S ATOM 49 CE MET A 658 -5.035 -18.010 -27.261 1.00 54.93 C ATOM 50 H MET A 658 -6.463 -13.120 -29.509 1.00 0.00 H ATOM 51 N GLN A 659 -3.716 -11.838 -28.419 1.00 39.54 N ATOM 52 CA GLN A 659 -2.621 -10.922 -28.245 1.00 38.55 C ATOM 53 C GLN A 659 -3.052 -9.810 -27.311 1.00 36.86 C ATOM 54 O GLN A 659 -2.249 -9.344 -26.493 1.00 33.39 O ATOM 55 CB GLN A 659 -2.167 -10.326 -29.581 1.00 41.95 C ATOM 56 CG GLN A 659 -1.482 -11.333 -30.474 1.00 43.86 C ATOM 57 CD GLN A 659 -1.222 -10.804 -31.898 1.00 48.08 C ATOM 58 OE1 GLN A 659 -1.929 -9.911 -32.432 1.00 48.25 O ATOM 59 NE2 GLN A 659 -0.189 -11.353 -32.516 1.00 49.52 N ATOM 60 HE22 GLN A 659 0.371 -12.089 -32.040 1.00 0.00 H ATOM 61 HE21 GLN A 659 0.063 -11.049 -33.478 1.00 0.00 H ATOM 62 H GLN A 659 -4.138 -11.970 -29.360 1.00 0.00 H ATOM 63 N GLN A 660 -4.307 -9.360 -27.451 1.00 34.00 N ATOM 64 CA GLN A 660 -4.820 -8.297 -26.597 1.00 33.66 C ATOM 65 C GLN A 660 -4.882 -8.741 -25.130 1.00 31.80 C ATOM 66 O GLN A 660 -4.568 -7.942 -24.222 1.00 30.10 O ATOM 67 CB GLN A 660 -6.221 -7.832 -27.038 1.00 36.36 C ATOM 68 CG GLN A 660 -6.615 -6.540 -26.353 1.00 38.40 C ATOM 69 CD GLN A 660 -8.005 -6.099 -26.745 1.00 42.64 C ATOM 70 OE1 GLN A 660 -8.340 -6.079 -27.925 1.00 47.60 O ATOM 71 NE2 GLN A 660 -8.832 -5.805 -25.756 1.00 43.29 N ATOM 72 HE22 GLN A 660 -8.498 -5.837 -24.772 1.00 0.00 H ATOM 73 HE21 GLN A 660 -9.817 -5.542 -25.962 1.00 0.00 H ATOM 74 H GLN A 660 -4.923 -9.775 -28.179 1.00 0.00 H ATOM 75 N LYS A 661 -5.357 -9.972 -24.914 1.00 30.63 N ATOM 76 CA LYS A 661 -5.437 -10.521 -23.565 1.00 29.91 C ATOM 77 C LYS A 661 -4.023 -10.598 -22.963 1.00 27.68 C ATOM 78 O LYS A 661 -3.833 -10.262 -21.825 1.00 26.59 O ATOM 79 CB LYS A 661 -6.048 -11.888 -23.574 1.00 32.03 C ATOM 80 CG LYS A 661 -7.528 -11.751 -23.872 1.00 34.35 C ATOM 81 CD LYS A 661 -8.252 -13.075 -23.723 1.00 37.00 C ATOM 82 CE LYS A 661 -9.735 -12.876 -24.028 1.00 39.67 C ATOM 83 NZ LYS A 661 -9.980 -12.380 -25.421 1.00 41.48 N ATOM 84 HZ1 LYS A 661 -9.503 -11.465 -25.551 1.00 0.00 H ATOM 85 HZ2 LYS A 661 -9.604 -13.068 -26.104 1.00 0.00 H ATOM 86 HZ3 LYS A 661 -11.002 -12.263 -25.571 1.00 0.00 H ATOM 87 H LYS A 661 -5.674 -10.547 -25.720 1.00 0.00 H ATOM 88 N LEU A 662 -3.063 -11.031 -23.755 1.00 27.70 N ATOM 89 CA LEU A 662 -1.677 -11.108 -23.248 1.00 27.92 C ATOM 90 C LEU A 662 -1.199 -9.756 -22.825 1.00 27.19 C ATOM 91 O LEU A 662 -0.588 -9.603 -21.728 1.00 25.59 O ATOM 92 CB LEU A 662 -0.765 -11.706 -24.306 1.00 28.29 C ATOM 93 CG LEU A 662 -0.914 -13.198 -24.538 1.00 29.02 C ATOM 94 CD1 LEU A 662 -0.337 -13.535 -25.927 1.00 31.04 C ATOM 95 CD2 LEU A 662 -0.279 -14.075 -23.491 1.00 28.76 C ATOM 96 H LEU A 662 -3.279 -11.317 -24.731 1.00 0.00 H ATOM 97 N ASN A 663 -1.437 -8.766 -23.683 1.00 27.73 N ATOM 98 CA ASN A 663 -1.023 -7.406 -23.382 1.00 28.61 C ATOM 99 C ASN A 663 -1.673 -6.834 -22.171 1.00 27.43 C ATOM 100 O ASN A 663 -1.030 -6.117 -21.417 1.00 25.82 O ATOM 101 CB ASN A 663 -1.294 -6.458 -24.528 1.00 31.09 C ATOM 102 CG ASN A 663 -0.390 -5.272 -24.502 1.00 32.17 C ATOM 103 OD1 ASN A 663 0.815 -5.418 -24.644 1.00 38.71 O ATOM 104 ND2 ASN A 663 -0.930 -4.114 -24.259 1.00 34.20 N ATOM 105 HD22 ASN A 663 -1.961 -4.034 -24.145 1.00 0.00 H ATOM 106 HD21 ASN A 663 -0.331 -3.268 -24.179 1.00 0.00 H ATOM 107 H ASN A 663 -1.925 -8.968 -24.579 1.00 0.00 H ATOM 108 N GLU A 664 -2.991 -7.073 -22.019 1.00 26.12 N ATOM 109 CA GLU A 664 -3.690 -6.637 -20.839 1.00 25.74 C ATOM 110 C GLU A 664 -3.128 -7.196 -19.485 1.00 23.61 C ATOM 111 O GLU A 664 -3.050 -6.470 -18.512 1.00 22.69 O ATOM 112 CB GLU A 664 -5.182 -6.950 -20.989 1.00 27.67 C ATOM 113 CG GLU A 664 -5.890 -6.021 -21.998 1.00 30.25 C ATOM 114 CD GLU A 664 -7.309 -6.458 -22.326 1.00 33.33 C ATOM 115 OE1 GLU A 664 -7.750 -7.495 -21.810 1.00 36.71 O ATOM 116 OE2 GLU A 664 -8.014 -5.768 -23.096 1.00 36.14 O ATOM 117 H GLU A 664 -3.510 -7.579 -22.765 1.00 0.00 H ATOM 118 N VAL A 665 -2.734 -8.458 -19.487 1.00 22.97 N ATOM 119 CA VAL A 665 -2.151 -9.134 -18.328 1.00 21.89 C ATOM 120 C VAL A 665 -0.819 -8.494 -17.999 1.00 21.37 C ATOM 121 O VAL A 665 -0.579 -8.036 -16.885 1.00 21.34 O ATOM 122 CB VAL A 665 -2.002 -10.624 -18.558 1.00 22.29 C ATOM 123 CG1 VAL A 665 -1.180 -11.283 -17.422 1.00 21.86 C ATOM 124 CG2 VAL A 665 -3.378 -11.247 -18.658 1.00 23.61 C ATOM 125 H VAL A 665 -2.845 -9.003 -20.366 1.00 0.00 H ATOM 126 N TYR A 666 0.023 -8.411 -19.000 1.00 22.28 N ATOM 127 CA TYR A 666 1.346 -7.722 -18.850 1.00 21.49 C ATOM 128 C TYR A 666 1.199 -6.288 -18.328 1.00 22.31 C ATOM 129 O TYR A 666 1.805 -5.890 -17.328 1.00 21.21 O ATOM 130 CB TYR A 666 2.105 -7.814 -20.200 1.00 22.71 C ATOM 131 CG TYR A 666 3.497 -7.254 -20.026 1.00 23.24 C ATOM 132 CD1 TYR A 666 4.490 -8.054 -19.553 1.00 23.29 C ATOM 133 CD2 TYR A 666 3.753 -5.917 -20.192 1.00 24.42 C ATOM 134 CE1 TYR A 666 5.768 -7.541 -19.303 1.00 23.29 C ATOM 135 CE2 TYR A 666 5.020 -5.382 -19.959 1.00 25.13 C ATOM 136 CZ TYR A 666 6.001 -6.201 -19.482 1.00 24.42 C ATOM 137 OH TYR A 666 7.292 -5.677 -19.243 1.00 26.57 O ATOM 138 HH TYR A 666 7.881 -6.396 -18.902 1.00 0.00 H ATOM 139 H TYR A 666 -0.232 -8.831 -19.916 1.00 0.00 H ATOM 140 N GLU A 667 0.368 -5.466 -18.982 1.00 23.38 N ATOM 141 CA GLU A 667 0.191 -4.081 -18.583 1.00 25.43 C ATOM 142 C GLU A 667 -0.393 -3.904 -17.202 1.00 23.71 C ATOM 143 O GLU A 667 -0.077 -2.948 -16.497 1.00 23.05 O ATOM 144 CB GLU A 667 -0.666 -3.310 -19.623 1.00 27.66 C ATOM 145 CG GLU A 667 -0.005 -3.229 -21.005 1.00 31.86 C ATOM 146 CD GLU A 667 1.309 -2.429 -21.040 1.00 36.17 C ATOM 147 OE1 GLU A 667 1.280 -1.299 -20.545 1.00 42.71 O ATOM 148 OE2 GLU A 667 2.388 -2.919 -21.523 1.00 41.88 O ATOM 149 H GLU A 667 -0.165 -5.830 -19.798 1.00 0.00 H ATOM 150 N ALA A 668 -1.339 -4.773 -16.817 1.00 23.35 N ATOM 151 CA ALA A 668 -1.913 -4.664 -15.502 1.00 22.07 C ATOM 152 C ALA A 668 -0.839 -4.749 -14.397 1.00 20.67 C ATOM 153 O ALA A 668 -0.881 -4.044 -13.386 1.00 19.89 O ATOM 154 CB ALA A 668 -2.974 -5.741 -15.300 1.00 21.92 C ATOM 155 H ALA A 668 -1.656 -5.522 -17.465 1.00 0.00 H ATOM 156 N VAL A 669 0.076 -5.682 -14.580 1.00 19.77 N ATOM 157 CA VAL A 669 1.162 -5.908 -13.598 1.00 19.33 C ATOM 158 C VAL A 669 2.179 -4.789 -13.727 1.00 19.39 C ATOM 159 O VAL A 669 2.526 -4.189 -12.693 1.00 18.94 O ATOM 160 CB VAL A 669 1.844 -7.283 -13.819 1.00 19.58 C ATOM 161 CG1 VAL A 669 2.996 -7.477 -12.860 1.00 19.93 C ATOM 162 CG2 VAL A 669 0.879 -8.462 -13.686 1.00 19.25 C ATOM 163 H VAL A 669 0.034 -6.273 -15.435 1.00 0.00 H ATOM 164 N LYS A 670 2.546 -4.449 -14.951 1.00 20.72 N ATOM 165 CA LYS A 670 3.477 -3.291 -15.184 1.00 23.70 C ATOM 166 C LYS A 670 2.998 -2.001 -14.576 1.00 22.95 C ATOM 167 O LYS A 670 3.786 -1.292 -13.954 1.00 22.80 O ATOM 168 CB LYS A 670 3.753 -3.052 -16.657 1.00 26.27 C ATOM 169 CG LYS A 670 4.890 -2.022 -16.884 1.00 30.58 C ATOM 170 CD LYS A 670 5.199 -1.755 -18.341 1.00 35.38 C ATOM 171 CE LYS A 670 6.671 -1.284 -18.467 1.00 38.11 C ATOM 172 NZ LYS A 670 7.197 -0.450 -17.318 1.00 39.56 N ATOM 173 HZ1 LYS A 670 6.622 0.412 -17.225 1.00 0.00 H ATOM 174 HZ2 LYS A 670 7.142 -1.001 -16.438 1.00 0.00 H ATOM 175 HZ3 LYS A 670 8.187 -0.190 -17.504 1.00 0.00 H ATOM 176 H LYS A 670 2.186 -4.990 -15.763 1.00 0.00 H ATOM 177 N ASN A 671 1.712 -1.638 -14.797 1.00 22.72 N ATOM 178 CA ASN A 671 1.229 -0.316 -14.475 1.00 24.27 C ATOM 179 C ASN A 671 0.711 -0.126 -13.089 1.00 23.86 C ATOM 180 O ASN A 671 0.538 1.025 -12.655 1.00 24.59 O ATOM 181 CB ASN A 671 0.195 0.146 -15.509 1.00 27.38 C ATOM 182 CG ASN A 671 0.773 0.187 -16.892 1.00 29.47 C ATOM 183 OD1 ASN A 671 1.981 0.331 -17.077 1.00 33.31 O ATOM 184 ND2 ASN A 671 -0.060 0.011 -17.862 1.00 32.35 N ATOM 185 HD22 ASN A 671 -1.074 -0.107 -17.662 1.00 0.00 H ATOM 186 HD21 ASN A 671 0.283 -0.013 -18.844 1.00 0.00 H ATOM 187 H ASN A 671 1.055 -2.330 -15.210 1.00 0.00 H ATOM 188 N TYR A 672 0.474 -1.225 -12.359 1.00 22.56 N ATOM 189 CA TYR A 672 -0.029 -1.133 -11.015 1.00 23.35 C ATOM 190 C TYR A 672 0.730 -0.146 -10.163 1.00 24.47 C ATOM 191 O TYR A 672 1.979 -0.243 -10.035 1.00 23.71 O ATOM 192 CB TYR A 672 -0.122 -2.482 -10.310 1.00 22.57 C ATOM 193 CG TYR A 672 -0.687 -2.413 -8.941 1.00 23.38 C ATOM 194 CD1 TYR A 672 -2.073 -2.313 -8.750 1.00 25.22 C ATOM 195 CD2 TYR A 672 0.115 -2.280 -7.833 1.00 24.16 C ATOM 196 CE1 TYR A 672 -2.596 -2.217 -7.469 1.00 26.02 C ATOM 197 CE2 TYR A 672 -0.396 -2.131 -6.564 1.00 26.15 C ATOM 198 CZ TYR A 672 -1.756 -2.064 -6.377 1.00 26.49 C ATOM 199 OH TYR A 672 -2.300 -1.919 -5.108 1.00 27.80 O ATOM 200 HH TYR A 672 -3.287 -1.890 -5.175 1.00 0.00 H ATOM 201 H TYR A 672 0.657 -2.162 -12.772 1.00 0.00 H ATOM 202 N THR A 673 -0.037 0.782 -9.552 1.00 26.56 N ATOM 203 CA THR A 673 0.512 1.712 -8.572 1.00 29.28 C ATOM 204 C THR A 673 -0.250 1.627 -7.255 1.00 30.26 C ATOM 205 O THR A 673 -1.468 1.460 -7.263 1.00 31.20 O ATOM 206 CB THR A 673 0.509 3.162 -9.079 1.00 31.28 C ATOM 207 OG1 THR A 673 -0.853 3.524 -9.310 1.00 35.70 O ATOM 208 CG2 THR A 673 1.281 3.255 -10.381 1.00 31.39 C ATOM 209 HG1 THR A 673 -1.361 3.449 -8.464 1.00 0.00 H ATOM 210 H THR A 673 -1.049 0.835 -9.787 1.00 0.00 H ATOM 211 N ASP A 674 0.463 1.783 -6.146 1.00 30.25 N ATOM 212 CA ASP A 674 -0.149 1.768 -4.820 1.00 33.81 C ATOM 213 C ASP A 674 -0.684 3.193 -4.479 1.00 35.87 C ATOM 214 O ASP A 674 -0.429 4.156 -5.222 1.00 35.54 O ATOM 215 CB ASP A 674 0.813 1.269 -3.740 1.00 32.52 C ATOM 216 CG ASP A 674 1.928 2.227 -3.417 1.00 32.31 C ATOM 217 OD1 ASP A 674 2.030 3.413 -3.862 1.00 31.28 O ATOM 218 OD2 ASP A 674 2.766 1.757 -2.669 1.00 31.37 O ATOM 219 H ASP A 674 1.491 1.920 -6.224 1.00 0.00 H ATOM 220 N LYS A 675 -1.318 3.329 -3.314 1.00 39.78 N ATOM 221 CA LYS A 675 -1.855 4.654 -2.857 1.00 42.49 C ATOM 222 C LYS A 675 -0.844 5.811 -2.751 1.00 42.15 C ATOM 223 O LYS A 675 -1.235 6.982 -2.748 1.00 44.26 O ATOM 224 CB LYS A 675 -2.618 4.506 -1.515 1.00 46.36 C ATOM 225 CG LYS A 675 -1.728 4.195 -0.309 1.00 49.25 C ATOM 226 CD LYS A 675 -2.507 3.887 0.969 1.00 51.79 C ATOM 227 CE LYS A 675 -1.535 3.579 2.091 1.00 53.65 C ATOM 228 NZ LYS A 675 -2.165 3.246 3.404 1.00 55.98 N ATOM 229 HZ1 LYS A 675 -2.743 4.050 3.724 1.00 0.00 H ATOM 230 HZ2 LYS A 675 -2.768 2.406 3.295 1.00 0.00 H ATOM 231 HZ3 LYS A 675 -1.421 3.052 4.105 1.00 0.00 H ATOM 232 H LYS A 675 -1.444 2.495 -2.706 1.00 0.00 H ATOM 233 N ARG A 676 0.440 5.519 -2.641 1.00 40.06 N ATOM 234 CA ARG A 676 1.446 6.556 -2.636 1.00 40.56 C ATOM 235 C ARG A 676 2.010 6.891 -4.014 1.00 39.23 C ATOM 236 O ARG A 676 2.955 7.672 -4.096 1.00 39.63 O ATOM 237 CB ARG A 676 2.559 6.167 -1.680 1.00 40.78 C ATOM 238 CG ARG A 676 2.068 5.916 -0.260 1.00 41.80 C ATOM 239 CD ARG A 676 3.172 5.510 0.719 1.00 42.12 C ATOM 240 NE ARG A 676 4.278 6.461 0.781 1.00 42.18 N ATOM 241 CZ ARG A 676 5.382 6.424 0.031 1.00 41.73 C ATOM 242 NH1 ARG A 676 5.543 5.488 -0.880 1.00 40.88 N ATOM 243 NH2 ARG A 676 6.321 7.351 0.183 1.00 42.39 N ATOM 244 HE ARG A 676 4.199 7.236 1.470 1.00 0.00 H ATOM 245 HH12 ARG A 676 6.407 5.469 -1.459 1.00 0.00 H ATOM 246 HH11 ARG A 676 4.806 4.768 -1.021 1.00 0.00 H ATOM 247 HH22 ARG A 676 7.181 7.321 -0.402 1.00 0.00 H ATOM 248 HH21 ARG A 676 6.197 8.107 0.887 1.00 0.00 H ATOM 249 H ARG A 676 0.732 4.524 -2.556 1.00 0.00 H ATOM 250 N GLY A 677 1.478 6.267 -5.079 1.00 38.27 N ATOM 251 CA GLY A 677 2.008 6.442 -6.440 1.00 36.77 C ATOM 252 C GLY A 677 3.295 5.634 -6.735 1.00 35.17 C ATOM 253 O GLY A 677 4.034 5.918 -7.671 1.00 35.01 O ATOM 254 H GLY A 677 0.662 5.638 -4.936 1.00 0.00 H ATOM 255 N ARG A 678 3.589 4.626 -5.917 1.00 31.31 N ATOM 256 CA ARG A 678 4.715 3.770 -6.215 1.00 28.45 C ATOM 257 C ARG A 678 4.363 2.667 -7.195 1.00 27.27 C ATOM 258 O ARG A 678 3.381 1.924 -7.008 1.00 25.53 O ATOM 259 CB ARG A 678 5.337 3.232 -4.923 1.00 27.61 C ATOM 260 CG ARG A 678 6.646 2.505 -5.137 1.00 26.41 C ATOM 261 CD ARG A 678 7.458 2.372 -3.858 1.00 27.54 C ATOM 262 NE ARG A 678 6.810 1.447 -2.942 1.00 26.55 N ATOM 263 CZ ARG A 678 6.875 0.125 -3.038 1.00 25.21 C ATOM 264 NH1 ARG A 678 7.616 -0.472 -3.992 1.00 23.62 N ATOM 265 NH2 ARG A 678 6.179 -0.612 -2.171 1.00 25.08 N ATOM 266 HE ARG A 678 6.258 1.849 -2.158 1.00 0.00 H ATOM 267 HH12 ARG A 678 7.652 -1.510 -4.049 1.00 0.00 H ATOM 268 HH11 ARG A 678 8.151 0.105 -4.672 1.00 0.00 H ATOM 269 HH22 ARG A 678 6.214 -1.650 -2.226 1.00 0.00 H ATOM 270 HH21 ARG A 678 5.602 -0.149 -1.440 1.00 0.00 H ATOM 271 H ARG A 678 3.012 4.455 -5.069 1.00 0.00 H ATOM 272 N ARG A 679 5.199 2.525 -8.222 1.00 25.92 N ATOM 273 CA ARG A 679 4.952 1.501 -9.243 1.00 26.43 C ATOM 274 C ARG A 679 5.687 0.255 -8.794 1.00 22.82 C ATOM 275 O ARG A 679 6.938 0.194 -8.861 1.00 21.51 O ATOM 276 CB ARG A 679 5.436 1.961 -10.601 1.00 28.72 C ATOM 277 CG ARG A 679 5.156 0.990 -11.749 1.00 32.78 C ATOM 278 CD ARG A 679 5.028 1.729 -13.095 1.00 37.98 C ATOM 279 NE ARG A 679 3.824 2.537 -13.025 1.00 44.49 N ATOM 280 CZ ARG A 679 3.092 2.989 -14.047 1.00 48.88 C ATOM 281 NH1 ARG A 679 3.427 2.729 -15.311 1.00 52.85 N ATOM 282 NH2 ARG A 679 1.967 3.668 -13.779 1.00 48.05 N ATOM 283 HE ARG A 679 3.494 2.793 -12.072 1.00 0.00 H ATOM 284 HH12 ARG A 679 2.841 3.092 -16.090 1.00 0.00 H ATOM 285 HH11 ARG A 679 4.274 2.163 -15.518 1.00 0.00 H ATOM 286 HH22 ARG A 679 1.380 4.030 -14.558 1.00 0.00 H ATOM 287 HH21 ARG A 679 1.681 3.833 -12.793 1.00 0.00 H ATOM 288 H ARG A 679 6.031 3.143 -8.301 1.00 0.00 H ATOM 289 N LEU A 680 4.941 -0.756 -8.323 1.00 21.50 N ATOM 290 CA LEU A 680 5.546 -1.927 -7.709 1.00 20.88 C ATOM 291 C LEU A 680 6.408 -2.773 -8.641 1.00 19.69 C ATOM 292 O LEU A 680 7.344 -3.408 -8.151 1.00 19.45 O ATOM 293 CB LEU A 680 4.480 -2.860 -7.100 1.00 21.60 C ATOM 294 CG LEU A 680 4.142 -2.528 -5.640 1.00 23.62 C ATOM 295 CD1 LEU A 680 3.901 -1.104 -5.355 1.00 25.89 C ATOM 296 CD2 LEU A 680 3.018 -3.452 -5.166 1.00 23.71 C ATOM 297 H LEU A 680 3.905 -0.701 -8.399 1.00 0.00 H ATOM 298 N SER A 681 6.124 -2.709 -9.938 1.00 18.93 N ATOM 299 CA SER A 681 6.854 -3.495 -10.923 1.00 18.49 C ATOM 300 C SER A 681 8.238 -2.998 -11.213 1.00 18.33 C ATOM 301 O SER A 681 9.022 -3.751 -11.797 1.00 17.87 O ATOM 302 CB SER A 681 6.143 -3.502 -12.238 1.00 18.66 C ATOM 303 OG SER A 681 6.142 -2.228 -12.875 1.00 20.05 O ATOM 304 HG SER A 681 5.660 -2.292 -13.737 1.00 0.00 H ATOM 305 H SER A 681 5.360 -2.081 -10.258 1.00 0.00 H ATOM 306 N ALA A 682 8.568 -1.797 -10.753 1.00 18.87 N ATOM 307 CA ALA A 682 9.849 -1.143 -11.159 1.00 19.48 C ATOM 308 C ALA A 682 11.071 -2.058 -11.061 1.00 19.06 C ATOM 309 O ALA A 682 11.819 -2.189 -12.045 1.00 19.79 O ATOM 310 CB ALA A 682 10.120 0.134 -10.328 1.00 20.53 C ATOM 311 H ALA A 682 7.926 -1.304 -10.100 1.00 0.00 H ATOM 312 N ILE A 683 11.245 -2.632 -9.892 1.00 19.14 N ATOM 313 CA ILE A 683 12.499 -3.466 -9.650 1.00 19.68 C ATOM 314 C ILE A 683 12.432 -4.800 -10.386 1.00 18.29 C ATOM 315 O ILE A 683 13.495 -5.443 -10.588 1.00 16.93 O ATOM 316 CB ILE A 683 12.810 -3.666 -8.193 1.00 22.18 C ATOM 317 CG1 ILE A 683 11.787 -4.564 -7.533 1.00 23.13 C ATOM 318 CG2 ILE A 683 12.918 -2.287 -7.519 1.00 23.96 C ATOM 319 CD1 ILE A 683 12.267 -5.975 -7.377 1.00 23.86 C ATOM 320 H ILE A 683 10.536 -2.519 -9.140 1.00 0.00 H ATOM 321 N PHE A 684 11.243 -5.215 -10.831 1.00 16.84 N ATOM 322 CA PHE A 684 11.056 -6.496 -11.498 1.00 16.87 C ATOM 323 C PHE A 684 11.298 -6.490 -13.007 1.00 16.95 C ATOM 324 O PHE A 684 11.269 -7.557 -13.643 1.00 16.96 O ATOM 325 CB PHE A 684 9.594 -6.977 -11.235 1.00 16.79 C ATOM 326 CG PHE A 684 9.342 -7.346 -9.793 1.00 17.36 C ATOM 327 CD1 PHE A 684 9.756 -8.581 -9.271 1.00 18.25 C ATOM 328 CD2 PHE A 684 8.767 -6.447 -8.908 1.00 18.15 C ATOM 329 CE1 PHE A 684 9.592 -8.887 -7.926 1.00 18.68 C ATOM 330 CE2 PHE A 684 8.547 -6.783 -7.577 1.00 18.54 C ATOM 331 CZ PHE A 684 8.946 -7.990 -7.076 1.00 18.28 C ATOM 332 H PHE A 684 10.417 -4.598 -10.696 1.00 0.00 H ATOM 333 N LEU A 685 11.480 -5.331 -13.634 1.00 17.84 N ATOM 334 CA LEU A 685 11.650 -5.238 -15.065 1.00 18.58 C ATOM 335 C LEU A 685 12.845 -6.034 -15.579 1.00 18.41 C ATOM 336 O LEU A 685 12.735 -6.786 -16.539 1.00 19.14 O ATOM 337 CB LEU A 685 11.696 -3.800 -15.510 1.00 20.62 C ATOM 338 CG LEU A 685 10.448 -2.940 -15.125 1.00 23.12 C ATOM 339 CD1 LEU A 685 10.598 -1.524 -15.674 1.00 25.18 C ATOM 340 CD2 LEU A 685 9.084 -3.546 -15.436 1.00 23.67 C ATOM 341 H LEU A 685 11.501 -4.457 -13.071 1.00 0.00 H ATOM 342 N ARG A 686 13.977 -5.846 -14.935 1.00 18.33 N ATOM 343 CA ARG A 686 15.220 -6.465 -15.356 1.00 18.57 C ATOM 344 C ARG A 686 16.096 -6.918 -14.153 1.00 18.53 C ATOM 345 O ARG A 686 16.473 -6.146 -13.302 1.00 17.84 O ATOM 346 CB ARG A 686 16.025 -5.495 -16.238 1.00 19.79 C ATOM 347 CG ARG A 686 17.212 -6.186 -16.917 1.00 21.50 C ATOM 348 CD ARG A 686 16.723 -7.042 -18.079 1.00 23.30 C ATOM 349 NE ARG A 686 17.875 -7.626 -18.725 1.00 25.54 N ATOM 350 CZ ARG A 686 18.364 -8.851 -18.568 1.00 27.33 C ATOM 351 NH1 ARG A 686 17.776 -9.777 -17.790 1.00 28.58 N ATOM 352 NH2 ARG A 686 19.479 -9.157 -19.265 1.00 29.80 N ATOM 353 HE ARG A 686 18.383 -7.013 -19.394 1.00 0.00 H ATOM 354 HH12 ARG A 686 18.198 -10.723 -17.699 1.00 0.00 H ATOM 355 HH11 ARG A 686 16.900 -9.547 -17.279 1.00 0.00 H ATOM 356 HH22 ARG A 686 19.903 -10.103 -19.178 1.00 0.00 H ATOM 357 HH21 ARG A 686 19.914 -8.447 -19.888 1.00 0.00 H ATOM 358 H ARG A 686 13.981 -5.233 -14.095 1.00 0.00 H ATOM 359 N LEU A 687 16.342 -8.210 -14.095 1.00 18.70 N ATOM 360 CA LEU A 687 17.291 -8.792 -13.136 1.00 19.42 C ATOM 361 C LEU A 687 18.692 -8.175 -13.298 1.00 18.59 C ATOM 362 O LEU A 687 19.128 -8.009 -14.436 1.00 19.51 O ATOM 363 CB LEU A 687 17.445 -10.293 -13.367 1.00 19.94 C ATOM 364 CG LEU A 687 16.490 -11.181 -12.610 1.00 19.67 C ATOM 365 CD1 LEU A 687 16.500 -12.582 -13.226 1.00 20.47 C ATOM 366 CD2 LEU A 687 16.777 -11.233 -11.066 1.00 19.15 C ATOM 367 H LEU A 687 15.845 -8.843 -14.754 1.00 0.00 H ATOM 368 N PRO A 688 19.345 -7.857 -12.163 1.00 18.44 N ATOM 369 CA PRO A 688 20.782 -7.555 -12.191 1.00 18.37 C ATOM 370 C PRO A 688 21.618 -8.740 -12.657 1.00 19.02 C ATOM 371 O PRO A 688 21.097 -9.870 -12.837 1.00 18.88 O ATOM 372 CB PRO A 688 21.094 -7.213 -10.743 1.00 18.25 C ATOM 373 CG PRO A 688 19.729 -6.788 -10.143 1.00 17.85 C ATOM 374 CD PRO A 688 18.853 -7.853 -10.756 1.00 18.13 C ATOM 375 N SER A 689 22.896 -8.439 -12.927 1.00 19.89 N ATOM 376 CA SER A 689 23.798 -9.497 -13.457 1.00 21.22 C ATOM 377 C SER A 689 24.169 -10.500 -12.359 1.00 21.70 C ATOM 378 O SER A 689 23.915 -10.265 -11.188 1.00 19.53 O ATOM 379 CB SER A 689 25.059 -8.860 -14.048 1.00 22.32 C ATOM 380 OG SER A 689 25.990 -8.516 -13.018 1.00 23.27 O ATOM 381 HG SER A 689 26.794 -8.107 -13.425 1.00 0.00 H ATOM 382 H SER A 689 23.254 -7.475 -12.768 1.00 0.00 H ATOM 383 N ARG A 690 24.884 -11.578 -12.738 1.00 22.75 N ATOM 384 CA ARG A 690 25.341 -12.544 -11.765 1.00 24.83 C ATOM 385 C ARG A 690 26.321 -11.976 -10.763 1.00 24.73 C ATOM 386 O ARG A 690 26.354 -12.391 -9.583 1.00 23.96 O ATOM 387 CB ARG A 690 25.971 -13.746 -12.462 1.00 27.95 C ATOM 388 CG ARG A 690 25.006 -14.555 -13.232 1.00 31.28 C ATOM 389 CD ARG A 690 25.676 -15.784 -13.826 1.00 36.71 C ATOM 390 NE ARG A 690 24.599 -16.365 -14.596 1.00 39.93 N ATOM 391 CZ ARG A 690 23.788 -17.332 -14.191 1.00 42.08 C ATOM 392 NH1 ARG A 690 23.914 -17.931 -13.009 1.00 43.37 N ATOM 393 NH2 ARG A 690 22.854 -17.725 -15.021 1.00 46.03 N ATOM 394 HE ARG A 690 24.447 -15.990 -15.554 1.00 0.00 H ATOM 395 HH12 ARG A 690 23.253 -18.686 -12.735 1.00 0.00 H ATOM 396 HH11 ARG A 690 24.674 -17.644 -12.359 1.00 0.00 H ATOM 397 HH22 ARG A 690 22.196 -18.481 -14.743 1.00 0.00 H ATOM 398 HH21 ARG A 690 22.770 -17.281 -15.958 1.00 0.00 H ATOM 399 H ARG A 690 25.110 -11.716 -13.744 1.00 0.00 H ATOM 400 N SER A 691 27.148 -10.994 -11.171 1.00 24.11 N ATOM 401 CA SER A 691 28.026 -10.351 -10.215 1.00 25.14 C ATOM 402 C SER A 691 27.364 -9.360 -9.344 1.00 24.18 C ATOM 403 O SER A 691 27.815 -9.099 -8.225 1.00 24.84 O ATOM 404 CB SER A 691 29.240 -9.733 -10.950 1.00 25.63 C ATOM 405 OG SER A 691 28.871 -8.458 -11.503 1.00 27.73 O ATOM 406 HG SER A 691 28.126 -8.580 -12.143 1.00 0.00 H ATOM 407 H SER A 691 27.156 -10.699 -12.168 1.00 0.00 H ATOM 408 N GLU A 692 26.228 -8.829 -9.818 1.00 23.24 N ATOM 409 CA GLU A 692 25.444 -7.841 -9.055 1.00 22.87 C ATOM 410 C GLU A 692 24.520 -8.422 -7.986 1.00 21.82 C ATOM 411 O GLU A 692 24.311 -7.781 -6.953 1.00 23.01 O ATOM 412 CB GLU A 692 24.672 -6.958 -10.053 1.00 23.04 C ATOM 413 CG GLU A 692 25.517 -6.001 -10.878 1.00 24.48 C ATOM 414 CD GLU A 692 24.701 -5.242 -11.930 1.00 25.74 C ATOM 415 OE1 GLU A 692 23.775 -5.813 -12.494 1.00 23.92 O ATOM 416 OE2 GLU A 692 25.010 -4.032 -12.178 1.00 30.31 O ATOM 417 H GLU A 692 25.888 -9.124 -10.756 1.00 0.00 H ATOM 418 N LEU A 693 23.969 -9.612 -8.236 1.00 20.14 N ATOM 419 CA LEU A 693 23.012 -10.230 -7.333 1.00 20.00 C ATOM 420 C LEU A 693 23.297 -11.694 -7.286 1.00 19.53 C ATOM 421 O LEU A 693 22.511 -12.520 -7.653 1.00 18.92 O ATOM 422 CB LEU A 693 21.574 -9.963 -7.821 1.00 19.72 C ATOM 423 CG LEU A 693 20.463 -10.125 -6.773 1.00 20.61 C ATOM 424 CD1 LEU A 693 20.458 -8.980 -5.754 1.00 21.28 C ATOM 425 CD2 LEU A 693 19.139 -10.203 -7.507 1.00 19.87 C ATOM 426 H LEU A 693 24.234 -10.114 -9.107 1.00 0.00 H ATOM 427 N PRO A 694 24.547 -12.060 -6.877 1.00 19.97 N ATOM 428 CA PRO A 694 24.906 -13.450 -7.025 1.00 20.56 C ATOM 429 C PRO A 694 24.057 -14.432 -6.173 1.00 20.17 C ATOM 430 O PRO A 694 23.863 -15.586 -6.578 1.00 20.70 O ATOM 431 CB PRO A 694 26.380 -13.470 -6.532 1.00 20.72 C ATOM 432 CG PRO A 694 26.491 -12.327 -5.617 1.00 20.85 C ATOM 433 CD PRO A 694 25.600 -11.262 -6.265 1.00 20.16 C ATOM 434 N ASP A 695 23.531 -13.972 -5.041 1.00 20.33 N ATOM 435 CA ASP A 695 22.828 -14.860 -4.101 1.00 21.25 C ATOM 436 C ASP A 695 21.477 -15.286 -4.719 1.00 21.02 C ATOM 437 O ASP A 695 21.015 -16.420 -4.555 1.00 21.63 O ATOM 438 CB ASP A 695 22.594 -14.158 -2.776 1.00 22.42 C ATOM 439 CG ASP A 695 23.829 -13.904 -1.965 1.00 24.13 C ATOM 440 OD1 ASP A 695 24.950 -14.079 -2.500 1.00 26.89 O ATOM 441 OD2 ASP A 695 23.716 -13.306 -0.831 1.00 24.90 O ATOM 442 H ASP A 695 23.619 -12.961 -4.815 1.00 0.00 H ATOM 443 N TYR A 696 20.895 -14.406 -5.538 1.00 20.38 N ATOM 444 CA TYR A 696 19.662 -14.801 -6.293 1.00 19.35 C ATOM 445 C TYR A 696 19.963 -15.984 -7.212 1.00 20.74 C ATOM 446 O TYR A 696 19.267 -16.969 -7.171 1.00 22.07 O ATOM 447 CB TYR A 696 19.135 -13.622 -7.150 1.00 18.96 C ATOM 448 CG TYR A 696 18.049 -13.946 -8.100 1.00 18.31 C ATOM 449 CD1 TYR A 696 18.309 -14.432 -9.353 1.00 18.74 C ATOM 450 CD2 TYR A 696 16.683 -13.749 -7.746 1.00 18.39 C ATOM 451 CE1 TYR A 696 17.268 -14.716 -10.259 1.00 19.13 C ATOM 452 CE2 TYR A 696 15.674 -14.016 -8.648 1.00 18.40 C ATOM 453 CZ TYR A 696 15.979 -14.525 -9.901 1.00 19.14 C ATOM 454 OH TYR A 696 14.975 -14.842 -10.822 1.00 18.28 O ATOM 455 HH TYR A 696 14.449 -14.029 -11.028 1.00 0.00 H ATOM 456 H TYR A 696 21.295 -13.453 -5.651 1.00 0.00 H ATOM 457 N TYR A 697 21.067 -15.915 -7.981 1.00 21.24 N ATOM 458 CA TYR A 697 21.347 -16.939 -8.948 1.00 22.85 C ATOM 459 C TYR A 697 21.844 -18.257 -8.279 1.00 24.36 C ATOM 460 O TYR A 697 21.678 -19.357 -8.870 1.00 25.94 O ATOM 461 CB TYR A 697 22.356 -16.459 -9.953 1.00 23.59 C ATOM 462 CG TYR A 697 21.904 -15.343 -10.834 1.00 23.09 C ATOM 463 CD1 TYR A 697 21.176 -15.633 -11.989 1.00 24.00 C ATOM 464 CD2 TYR A 697 22.119 -14.008 -10.489 1.00 22.62 C ATOM 465 CE1 TYR A 697 20.805 -14.626 -12.849 1.00 24.28 C ATOM 466 CE2 TYR A 697 21.719 -12.963 -11.317 1.00 22.15 C ATOM 467 CZ TYR A 697 21.025 -13.287 -12.495 1.00 22.62 C ATOM 468 OH TYR A 697 20.512 -12.373 -13.391 1.00 23.06 O ATOM 469 HH TYR A 697 21.247 -11.814 -13.748 1.00 0.00 H ATOM 470 H TYR A 697 21.722 -15.114 -7.873 1.00 0.00 H ATOM 471 N LEU A 698 22.339 -18.167 -7.032 1.00 24.77 N ATOM 472 CA LEU A 698 22.627 -19.362 -6.196 1.00 26.43 C ATOM 473 C LEU A 698 21.395 -20.050 -5.689 1.00 27.94 C ATOM 474 O LEU A 698 21.456 -21.284 -5.418 1.00 29.17 O ATOM 475 CB LEU A 698 23.508 -19.006 -4.969 1.00 26.67 C ATOM 476 CG LEU A 698 24.927 -18.561 -5.301 1.00 27.12 C ATOM 477 CD1 LEU A 698 25.722 -17.980 -4.109 1.00 27.98 C ATOM 478 CD2 LEU A 698 25.689 -19.737 -5.920 1.00 28.82 C ATOM 479 H LEU A 698 22.528 -17.224 -6.637 1.00 0.00 H ATOM 480 N THR A 699 20.280 -19.306 -5.605 1.00 27.52 N ATOM 481 CA THR A 699 19.083 -19.734 -4.909 1.00 28.36 C ATOM 482 C THR A 699 17.994 -20.152 -5.901 1.00 28.67 C ATOM 483 O THR A 699 17.205 -21.059 -5.600 1.00 32.05 O ATOM 484 CB THR A 699 18.562 -18.622 -3.974 1.00 28.60 C ATOM 485 OG1 THR A 699 19.530 -18.298 -3.009 1.00 30.66 O ATOM 486 CG2 THR A 699 17.259 -19.059 -3.248 1.00 29.31 C ATOM 487 HG1 THR A 699 20.352 -17.981 -3.461 1.00 0.00 H ATOM 488 H THR A 699 20.275 -18.373 -6.064 1.00 0.00 H ATOM 489 N ILE A 700 18.000 -19.599 -7.114 1.00 26.93 N ATOM 490 CA ILE A 700 16.845 -19.712 -8.024 1.00 26.29 C ATOM 491 C ILE A 700 17.278 -20.510 -9.267 1.00 27.71 C ATOM 492 O ILE A 700 18.199 -20.109 -9.993 1.00 27.38 O ATOM 493 CB ILE A 700 16.394 -18.266 -8.416 1.00 24.60 C ATOM 494 CG1 ILE A 700 15.932 -17.486 -7.178 1.00 24.18 C ATOM 495 CG2 ILE A 700 15.376 -18.271 -9.516 1.00 25.12 C ATOM 496 CD1 ILE A 700 14.770 -18.132 -6.424 1.00 23.33 C ATOM 497 H ILE A 700 18.841 -19.074 -7.427 1.00 0.00 H ATOM 498 N LYS A 701 16.580 -21.627 -9.518 1.00 28.74 N ATOM 499 CA LYS A 701 16.789 -22.549 -10.641 1.00 30.79 C ATOM 500 C LYS A 701 16.445 -21.931 -11.987 1.00 30.23 C ATOM 501 O LYS A 701 17.155 -22.144 -12.959 1.00 30.81 O ATOM 502 CB LYS A 701 15.946 -23.829 -10.383 1.00 33.94 C ATOM 503 CG LYS A 701 16.054 -24.971 -11.380 1.00 36.92 C ATOM 504 H LYS A 701 15.816 -21.863 -8.853 1.00 0.00 H ATOM 505 N LYS A 702 15.354 -21.150 -12.053 1.00 28.34 N ATOM 506 CA LYS A 702 14.862 -20.584 -13.297 1.00 28.78 C ATOM 507 C LYS A 702 14.664 -19.070 -13.164 1.00 26.01 C ATOM 508 O LYS A 702 13.568 -18.598 -12.768 1.00 24.72 O ATOM 509 CB LYS A 702 13.555 -21.254 -13.699 1.00 32.09 C ATOM 510 CG LYS A 702 13.048 -20.794 -15.035 1.00 36.16 C ATOM 511 CD LYS A 702 12.065 -21.780 -15.670 1.00 41.20 C ATOM 512 CE LYS A 702 11.152 -21.108 -16.699 1.00 44.87 C ATOM 513 NZ LYS A 702 11.951 -20.298 -17.670 1.00 46.45 N ATOM 514 HZ1 LYS A 702 12.476 -19.562 -17.156 1.00 0.00 H ATOM 515 HZ2 LYS A 702 12.620 -20.918 -18.169 1.00 0.00 H ATOM 516 HZ3 LYS A 702 11.310 -19.852 -18.357 1.00 0.00 H ATOM 517 H LYS A 702 14.839 -20.941 -11.174 1.00 0.00 H ATOM 518 N PRO A 703 15.681 -18.313 -13.529 1.00 23.73 N ATOM 519 CA PRO A 703 15.607 -16.848 -13.441 1.00 22.41 C ATOM 520 C PRO A 703 14.477 -16.299 -14.360 1.00 23.17 C ATOM 521 O PRO A 703 14.174 -16.853 -15.445 1.00 24.10 O ATOM 522 CB PRO A 703 16.991 -16.379 -13.902 1.00 23.76 C ATOM 523 CG PRO A 703 17.887 -17.515 -13.509 1.00 24.23 C ATOM 524 CD PRO A 703 17.088 -18.746 -13.796 1.00 24.70 C ATOM 525 N MET A 704 13.784 -15.299 -13.845 1.00 20.70 N ATOM 526 CA MET A 704 12.716 -14.700 -14.596 1.00 20.83 C ATOM 527 C MET A 704 12.604 -13.181 -14.258 1.00 18.51 C ATOM 528 O MET A 704 12.725 -12.783 -13.106 1.00 17.96 O ATOM 529 CB MET A 704 11.429 -15.440 -14.237 1.00 21.66 C ATOM 530 CG MET A 704 10.228 -15.058 -15.108 1.00 24.14 C ATOM 531 SD MET A 704 10.411 -15.278 -16.897 1.00 26.99 S ATOM 532 CE MET A 704 10.411 -17.068 -16.892 1.00 30.62 C ATOM 533 H MET A 704 14.012 -14.945 -12.894 1.00 0.00 H ATOM 534 N ASP A 705 12.387 -12.364 -15.264 1.00 18.19 N ATOM 535 CA ASP A 705 12.081 -10.923 -15.110 1.00 18.41 C ATOM 536 C ASP A 705 11.040 -10.484 -16.134 1.00 19.18 C ATOM 537 O ASP A 705 10.674 -11.292 -17.013 1.00 19.56 O ATOM 538 CB ASP A 705 13.445 -10.085 -15.112 1.00 19.16 C ATOM 539 CG ASP A 705 14.189 -10.098 -16.452 1.00 20.37 C ATOM 540 OD1 ASP A 705 13.635 -10.425 -17.545 1.00 22.12 O ATOM 541 OD2 ASP A 705 15.437 -9.775 -16.330 1.00 20.32 O ATOM 542 H ASP A 705 12.433 -12.753 -16.227 1.00 0.00 H ATOM 543 N MET A 706 10.477 -9.278 -15.956 1.00 18.87 N ATOM 544 CA MET A 706 9.403 -8.825 -16.835 1.00 19.49 C ATOM 545 C MET A 706 9.895 -8.576 -18.264 1.00 21.61 C ATOM 546 O MET A 706 9.127 -8.771 -19.193 1.00 22.82 O ATOM 547 CB MET A 706 8.740 -7.640 -16.261 1.00 19.00 C ATOM 548 CG MET A 706 8.018 -8.022 -14.991 1.00 18.97 C ATOM 549 SD MET A 706 6.932 -6.774 -14.252 1.00 19.08 S ATOM 550 CE MET A 706 5.877 -6.342 -15.600 1.00 19.83 C ATOM 551 H MET A 706 10.808 -8.662 -15.186 1.00 0.00 H ATOM 552 N GLU A 707 11.141 -8.127 -18.447 1.00 23.19 N ATOM 553 CA GLU A 707 11.694 -7.969 -19.822 1.00 26.18 C ATOM 554 C GLU A 707 11.704 -9.302 -20.594 1.00 25.65 C ATOM 555 O GLU A 707 11.427 -9.308 -21.804 1.00 28.20 O ATOM 556 CB GLU A 707 13.094 -7.331 -19.807 1.00 29.40 C ATOM 557 CG GLU A 707 13.071 -5.861 -19.378 1.00 33.27 C ATOM 558 CD GLU A 707 12.550 -4.862 -20.385 1.00 38.84 C ATOM 559 OE1 GLU A 707 12.206 -5.242 -21.551 1.00 40.67 O ATOM 560 OE2 GLU A 707 12.560 -3.659 -19.967 1.00 41.21 O ATOM 561 H GLU A 707 11.729 -7.886 -17.624 1.00 0.00 H ATOM 562 N LYS A 708 11.970 -10.419 -19.931 1.00 24.60 N ATOM 563 CA LYS A 708 11.917 -11.770 -20.497 1.00 26.17 C ATOM 564 C LYS A 708 10.506 -12.155 -21.016 1.00 25.32 C ATOM 565 O LYS A 708 10.307 -12.716 -22.120 1.00 25.02 O ATOM 566 CB LYS A 708 12.299 -12.779 -19.438 1.00 28.69 C ATOM 567 CG LYS A 708 12.908 -14.043 -19.936 1.00 34.80 C ATOM 568 CD LYS A 708 13.955 -14.533 -18.937 1.00 37.87 C ATOM 569 CE LYS A 708 14.610 -15.765 -19.479 1.00 44.02 C ATOM 570 NZ LYS A 708 13.616 -16.868 -19.509 1.00 45.60 N ATOM 571 HZ1 LYS A 708 13.271 -17.049 -18.545 1.00 0.00 H ATOM 572 HZ2 LYS A 708 12.818 -16.597 -20.119 1.00 0.00 H ATOM 573 HZ3 LYS A 708 14.065 -17.728 -19.885 1.00 0.00 H ATOM 574 H LYS A 708 12.237 -10.329 -18.930 1.00 0.00 H ATOM 575 N ILE A 709 9.572 -11.879 -20.144 1.00 23.69 N ATOM 576 CA ILE A 709 8.125 -12.116 -20.457 1.00 23.50 C ATOM 577 C ILE A 709 7.716 -11.194 -21.596 1.00 24.46 C ATOM 578 O ILE A 709 7.067 -11.649 -22.567 1.00 25.28 O ATOM 579 CB ILE A 709 7.274 -11.870 -19.178 1.00 21.71 C ATOM 580 CG1 ILE A 709 7.559 -12.937 -18.117 1.00 21.16 C ATOM 581 CG2 ILE A 709 5.761 -11.900 -19.542 1.00 21.89 C ATOM 582 CD1 ILE A 709 6.940 -12.708 -16.725 1.00 20.59 C ATOM 583 H ILE A 709 9.837 -11.488 -19.217 1.00 0.00 H ATOM 584 N ARG A 710 8.034 -9.917 -21.480 1.00 25.95 N ATOM 585 CA ARG A 710 7.738 -8.934 -22.508 1.00 30.34 C ATOM 586 C ARG A 710 8.310 -9.342 -23.899 1.00 31.40 C ATOM 587 O ARG A 710 7.622 -9.233 -24.905 1.00 30.28 O ATOM 588 CB ARG A 710 8.251 -7.562 -22.140 1.00 33.09 C ATOM 589 CG ARG A 710 7.548 -6.455 -22.889 1.00 38.03 C ATOM 590 CD ARG A 710 8.327 -5.182 -22.909 1.00 43.83 C ATOM 591 NE ARG A 710 9.432 -5.293 -23.870 1.00 54.04 N ATOM 592 CZ ARG A 710 10.262 -4.303 -24.217 1.00 62.21 C ATOM 593 NH1 ARG A 710 10.156 -3.081 -23.677 1.00 66.21 N ATOM 594 NH2 ARG A 710 11.225 -4.539 -25.104 1.00 65.35 N ATOM 595 HE ARG A 710 9.582 -6.219 -24.319 1.00 0.00 H ATOM 596 HH12 ARG A 710 10.813 -2.327 -23.963 1.00 0.00 H ATOM 597 HH11 ARG A 710 9.417 -2.886 -22.972 1.00 0.00 H ATOM 598 HH22 ARG A 710 11.876 -3.776 -25.381 1.00 0.00 H ATOM 599 HH21 ARG A 710 11.327 -5.486 -25.521 1.00 0.00 H ATOM 600 H ARG A 710 8.517 -9.602 -20.615 1.00 0.00 H ATOM 601 N SER A 711 9.546 -9.799 -23.933 1.00 33.25 N ATOM 602 CA SER A 711 10.154 -10.250 -25.219 1.00 34.32 C ATOM 603 C SER A 711 9.442 -11.401 -25.874 1.00 33.74 C ATOM 604 O SER A 711 9.164 -11.391 -27.080 1.00 34.32 O ATOM 605 CB SER A 711 11.617 -10.666 -25.019 1.00 34.53 C ATOM 606 OG SER A 711 12.283 -9.629 -24.376 1.00 35.65 O ATOM 607 HG SER A 711 11.856 -9.457 -23.500 1.00 0.00 H ATOM 608 H SER A 711 10.102 -9.846 -23.056 1.00 0.00 H ATOM 609 N HIS A 712 9.161 -12.394 -25.053 1.00 32.80 N ATOM 610 CA HIS A 712 8.436 -13.584 -25.459 1.00 34.02 C ATOM 611 C HIS A 712 7.054 -13.196 -26.023 1.00 35.15 C ATOM 612 O HIS A 712 6.668 -13.660 -27.108 1.00 36.08 O ATOM 613 CB HIS A 712 8.385 -14.557 -24.298 1.00 32.66 C ATOM 614 CG HIS A 712 8.084 -15.965 -24.681 1.00 35.77 C ATOM 615 ND1 HIS A 712 9.043 -16.821 -25.166 1.00 37.34 N ATOM 616 CD2 HIS A 712 6.924 -16.666 -24.670 1.00 36.93 C ATOM 617 CE1 HIS A 712 8.499 -18.006 -25.387 1.00 39.52 C ATOM 618 NE2 HIS A 712 7.210 -17.933 -25.104 1.00 38.53 N ATOM 619 H HIS A 712 9.475 -12.321 -24.064 1.00 0.00 H ATOM 620 N MET A 713 6.374 -12.284 -25.324 1.00 36.35 N ATOM 621 CA MET A 713 5.085 -11.709 -25.762 1.00 36.75 C ATOM 622 C MET A 713 5.181 -10.914 -27.081 1.00 39.41 C ATOM 623 O MET A 713 4.372 -11.110 -28.026 1.00 37.87 O ATOM 624 CB MET A 713 4.480 -10.797 -24.658 1.00 35.60 C ATOM 625 CG MET A 713 3.128 -10.154 -25.031 1.00 35.84 C ATOM 626 SD MET A 713 2.459 -8.838 -23.982 1.00 35.22 S ATOM 627 CE MET A 713 3.698 -7.523 -23.979 1.00 35.56 C ATOM 628 H MET A 713 6.774 -11.960 -24.420 1.00 0.00 H ATOM 629 N MET A 714 6.135 -9.986 -27.145 1.00 41.78 N ATOM 630 CA MET A 714 6.362 -9.210 -28.365 1.00 44.78 C ATOM 631 C MET A 714 6.784 -10.090 -29.577 1.00 45.82 C ATOM 632 O MET A 714 6.541 -9.699 -30.726 1.00 48.31 O ATOM 633 CB MET A 714 7.346 -8.042 -28.126 1.00 45.74 C ATOM 634 CG MET A 714 6.847 -6.874 -27.268 1.00 46.85 C ATOM 635 SD MET A 714 5.178 -6.225 -27.624 1.00 52.21 S ATOM 636 CE MET A 714 5.115 -4.724 -26.653 1.00 54.01 C ATOM 637 H MET A 714 6.731 -9.809 -26.311 1.00 0.00 H ATOM 638 N ALA A 715 7.319 -11.286 -29.347 1.00 44.29 N ATOM 639 CA ALA A 715 7.633 -12.205 -30.428 1.00 45.23 C ATOM 640 C ALA A 715 6.571 -13.257 -30.709 1.00 46.26 C ATOM 641 O ALA A 715 6.814 -14.232 -31.452 1.00 45.58 O ATOM 642 CB ALA A 715 8.970 -12.865 -30.157 1.00 45.55 C ATOM 643 H ALA A 715 7.518 -11.571 -28.367 1.00 0.00 H ATOM 644 N ASN A 716 5.377 -13.076 -30.148 1.00 43.62 N ATOM 645 CA ASN A 716 4.278 -14.001 -30.403 1.00 45.14 C ATOM 646 C ASN A 716 4.494 -15.437 -30.015 1.00 43.86 C ATOM 647 O ASN A 716 3.915 -16.344 -30.606 1.00 45.05 O ATOM 648 CB ASN A 716 3.881 -13.937 -31.887 1.00 47.90 C ATOM 649 CG ASN A 716 2.891 -12.886 -32.138 1.00 49.09 C ATOM 650 OD1 ASN A 716 3.072 -12.050 -33.003 1.00 55.36 O ATOM 651 ND2 ASN A 716 1.831 -12.909 -31.374 1.00 49.31 N ATOM 652 HD22 ASN A 716 1.728 -13.648 -30.649 1.00 0.00 H ATOM 653 HD21 ASN A 716 1.090 -12.188 -31.491 1.00 0.00 H ATOM 654 H ASN A 716 5.225 -12.262 -29.518 1.00 0.00 H ATOM 655 N LYS A 717 5.303 -15.654 -29.000 1.00 41.97 N ATOM 656 CA LYS A 717 5.644 -16.998 -28.595 1.00 41.52 C ATOM 657 C LYS A 717 4.733 -17.596 -27.540 1.00 40.68 C ATOM 658 O LYS A 717 4.792 -18.789 -27.362 1.00 41.28 O ATOM 659 CB LYS A 717 7.122 -17.052 -28.188 1.00 43.31 C ATOM 660 CG LYS A 717 8.069 -16.917 -29.372 1.00 45.28 C ATOM 661 CD LYS A 717 9.512 -17.094 -28.922 1.00 47.28 C ATOM 662 CE LYS A 717 10.437 -17.002 -30.125 1.00 50.41 C ATOM 663 NZ LYS A 717 11.892 -17.092 -29.810 1.00 52.94 N ATOM 664 HZ1 LYS A 717 12.156 -16.315 -29.171 1.00 0.00 H ATOM 665 HZ2 LYS A 717 12.090 -18.004 -29.350 1.00 0.00 H ATOM 666 HZ3 LYS A 717 12.441 -17.020 -30.690 1.00 0.00 H ATOM 667 H LYS A 717 5.703 -14.846 -28.482 1.00 0.00 H ATOM 668 N TYR A 718 3.879 -16.805 -26.847 1.00 38.61 N ATOM 669 CA TYR A 718 2.878 -17.378 -25.944 1.00 37.00 C ATOM 670 C TYR A 718 1.685 -17.897 -26.785 1.00 39.20 C ATOM 671 O TYR A 718 1.159 -17.148 -27.578 1.00 41.21 O ATOM 672 CB TYR A 718 2.369 -16.362 -24.912 1.00 34.90 C ATOM 673 CG TYR A 718 3.359 -16.078 -23.801 1.00 31.82 C ATOM 674 CD1 TYR A 718 3.700 -17.066 -22.910 1.00 31.10 C ATOM 675 CD2 TYR A 718 3.915 -14.803 -23.622 1.00 31.77 C ATOM 676 CE1 TYR A 718 4.600 -16.825 -21.860 1.00 30.02 C ATOM 677 CE2 TYR A 718 4.808 -14.537 -22.566 1.00 29.29 C ATOM 678 CZ TYR A 718 5.133 -15.540 -21.692 1.00 28.59 C ATOM 679 OH TYR A 718 6.039 -15.306 -20.666 1.00 27.15 O ATOM 680 HH TYR A 718 6.155 -16.133 -20.135 1.00 0.00 H ATOM 681 H TYR A 718 3.935 -15.772 -26.958 1.00 0.00 H ATOM 682 N GLN A 719 1.331 -19.163 -26.598 1.00 41.29 N ATOM 683 CA GLN A 719 0.227 -19.834 -27.317 1.00 43.58 C ATOM 684 C GLN A 719 -1.044 -19.833 -26.501 1.00 43.42 C ATOM 685 O GLN A 719 -2.111 -20.154 -27.025 1.00 42.91 O ATOM 686 CB GLN A 719 0.622 -21.281 -27.679 1.00 46.27 C ATOM 687 H GLN A 719 1.865 -19.719 -25.900 1.00 0.00 H ATOM 688 N ASP A 720 -0.962 -19.517 -25.202 1.00 42.44 N ATOM 689 CA ASP A 720 -2.150 -19.197 -24.437 1.00 41.33 C ATOM 690 C ASP A 720 -1.831 -18.225 -23.308 1.00 39.27 C ATOM 691 O ASP A 720 -0.680 -18.053 -22.945 1.00 36.15 O ATOM 692 CB ASP A 720 -2.841 -20.449 -23.890 1.00 43.79 C ATOM 693 CG ASP A 720 -1.970 -21.262 -22.930 1.00 47.16 C ATOM 694 OD1 ASP A 720 -0.814 -20.888 -22.594 1.00 47.55 O ATOM 695 OD2 ASP A 720 -2.467 -22.323 -22.507 1.00 51.47 O ATOM 696 H ASP A 720 -0.032 -19.501 -24.736 1.00 0.00 H ATOM 697 N ILE A 721 -2.873 -17.652 -22.728 1.00 36.79 N ATOM 698 CA ILE A 721 -2.726 -16.740 -21.601 1.00 36.49 C ATOM 699 C ILE A 721 -2.108 -17.395 -20.344 1.00 33.82 C ATOM 700 O ILE A 721 -1.314 -16.761 -19.608 1.00 30.81 O ATOM 701 CB ILE A 721 -4.103 -16.128 -21.277 1.00 38.51 C ATOM 702 CG1 ILE A 721 -4.577 -15.312 -22.470 1.00 41.16 C ATOM 703 CG2 ILE A 721 -4.046 -15.226 -20.057 1.00 38.35 C ATOM 704 CD1 ILE A 721 -6.077 -15.342 -22.612 1.00 44.06 C ATOM 705 H ILE A 721 -3.827 -17.859 -23.088 1.00 0.00 H ATOM 706 N ASP A 722 -2.442 -18.647 -20.074 1.00 32.69 N ATOM 707 CA ASP A 722 -2.002 -19.259 -18.826 1.00 33.56 C ATOM 708 C ASP A 722 -0.506 -19.568 -18.809 1.00 31.59 C ATOM 709 O ASP A 722 0.081 -19.570 -17.763 1.00 30.77 O ATOM 710 CB ASP A 722 -2.886 -20.447 -18.422 1.00 34.76 C ATOM 711 CG ASP A 722 -4.204 -19.973 -17.796 1.00 35.83 C ATOM 712 OD1 ASP A 722 -4.190 -18.948 -17.055 1.00 37.06 O ATOM 713 OD2 ASP A 722 -5.250 -20.579 -18.045 1.00 40.83 O ATOM 714 H ASP A 722 -3.016 -19.192 -20.749 1.00 0.00 H ATOM 715 N SER A 723 0.113 -19.701 -19.973 1.00 32.31 N ATOM 716 CA SER A 723 1.564 -19.768 -20.021 1.00 32.36 C ATOM 717 C SER A 723 2.228 -18.470 -19.513 1.00 30.30 C ATOM 718 O SER A 723 3.285 -18.547 -18.796 1.00 28.41 O ATOM 719 CB SER A 723 2.060 -20.050 -21.430 1.00 35.31 C ATOM 720 OG SER A 723 1.467 -21.204 -21.982 1.00 38.72 O ATOM 721 HG SER A 723 0.485 -21.083 -22.019 1.00 0.00 H ATOM 722 H SER A 723 -0.440 -19.757 -20.852 1.00 0.00 H ATOM 723 N MET A 724 1.670 -17.322 -19.925 1.00 27.58 N ATOM 724 CA MET A 724 2.145 -16.028 -19.447 1.00 26.00 C ATOM 725 C MET A 724 1.917 -15.887 -17.947 1.00 24.90 C ATOM 726 O MET A 724 2.814 -15.497 -17.196 1.00 22.82 O ATOM 727 CB MET A 724 1.607 -14.849 -20.277 1.00 25.94 C ATOM 728 CG MET A 724 1.770 -13.515 -19.534 1.00 25.00 C ATOM 729 SD MET A 724 1.138 -11.974 -20.171 1.00 25.04 S ATOM 730 CE MET A 724 2.172 -11.735 -21.577 1.00 25.26 C ATOM 731 H MET A 724 0.880 -17.355 -20.601 1.00 0.00 H ATOM 732 N VAL A 725 0.718 -16.236 -17.489 1.00 23.37 N ATOM 733 CA VAL A 725 0.446 -16.217 -16.059 1.00 22.56 C ATOM 734 C VAL A 725 1.423 -17.093 -15.287 1.00 22.24 C ATOM 735 O VAL A 725 1.933 -16.684 -14.231 1.00 21.51 O ATOM 736 CB VAL A 725 -1.002 -16.697 -15.732 1.00 23.11 C ATOM 737 CG1 VAL A 725 -1.223 -16.791 -14.239 1.00 23.31 C ATOM 738 CG2 VAL A 725 -2.001 -15.713 -16.288 1.00 23.89 C ATOM 739 H VAL A 725 -0.028 -16.523 -18.155 1.00 0.00 H ATOM 740 N GLU A 726 1.755 -18.264 -15.815 1.00 23.83 N ATOM 741 CA GLU A 726 2.692 -19.151 -15.163 1.00 24.74 C ATOM 742 C GLU A 726 4.114 -18.554 -15.028 1.00 23.58 C ATOM 743 O GLU A 726 4.750 -18.777 -14.000 1.00 23.82 O ATOM 744 CB GLU A 726 2.810 -20.515 -15.885 1.00 28.22 C ATOM 745 CG GLU A 726 1.658 -21.446 -15.553 1.00 32.25 C ATOM 746 CD GLU A 726 1.631 -22.729 -16.361 1.00 36.19 C ATOM 747 OE1 GLU A 726 2.606 -23.030 -17.043 1.00 39.54 O ATOM 748 OE2 GLU A 726 0.544 -23.374 -16.361 1.00 43.69 O ATOM 749 H GLU A 726 1.331 -18.551 -16.720 1.00 0.00 H ATOM 750 N ASP A 727 4.564 -17.851 -16.044 1.00 22.72 N ATOM 751 CA ASP A 727 5.853 -17.135 -15.985 1.00 22.21 C ATOM 752 C ASP A 727 5.837 -16.001 -14.963 1.00 19.95 C ATOM 753 O ASP A 727 6.807 -15.844 -14.186 1.00 18.55 O ATOM 754 CB ASP A 727 6.308 -16.621 -17.340 1.00 23.70 C ATOM 755 CG ASP A 727 6.750 -17.745 -18.296 1.00 26.96 C ATOM 756 OD1 ASP A 727 7.080 -18.840 -17.836 1.00 27.21 O ATOM 757 OD2 ASP A 727 6.776 -17.503 -19.501 1.00 30.00 O ATOM 758 H ASP A 727 3.996 -17.798 -16.913 1.00 0.00 H ATOM 759 N PHE A 728 4.755 -15.230 -14.866 1.00 18.53 N ATOM 760 CA PHE A 728 4.700 -14.270 -13.759 1.00 17.35 C ATOM 761 C PHE A 728 4.698 -14.955 -12.384 1.00 17.36 C ATOM 762 O PHE A 728 5.261 -14.462 -11.422 1.00 17.44 O ATOM 763 CB PHE A 728 3.461 -13.358 -13.862 1.00 17.02 C ATOM 764 CG PHE A 728 3.610 -12.190 -14.767 1.00 17.10 C ATOM 765 CD1 PHE A 728 4.355 -11.038 -14.337 1.00 16.58 C ATOM 766 CD2 PHE A 728 3.004 -12.175 -16.037 1.00 17.44 C ATOM 767 CE1 PHE A 728 4.465 -9.912 -15.198 1.00 16.48 C ATOM 768 CE2 PHE A 728 3.095 -11.034 -16.853 1.00 17.86 C ATOM 769 CZ PHE A 728 3.803 -9.928 -16.426 1.00 17.37 C ATOM 770 H PHE A 728 3.977 -15.306 -15.551 1.00 0.00 H ATOM 771 N VAL A 729 3.897 -16.018 -12.205 1.00 18.20 N ATOM 772 CA VAL A 729 3.839 -16.713 -10.938 1.00 18.37 C ATOM 773 C VAL A 729 5.257 -17.242 -10.570 1.00 19.13 C ATOM 774 O VAL A 729 5.707 -17.089 -9.431 1.00 19.56 O ATOM 775 CB VAL A 729 2.790 -17.872 -10.981 1.00 19.45 C ATOM 776 CG1 VAL A 729 2.944 -18.794 -9.741 1.00 20.56 C ATOM 777 CG2 VAL A 729 1.384 -17.317 -11.091 1.00 19.03 C ATOM 778 H VAL A 729 3.306 -16.348 -12.994 1.00 0.00 H ATOM 779 N MET A 730 5.988 -17.723 -11.558 1.00 20.27 N ATOM 780 CA MET A 730 7.333 -18.211 -11.299 1.00 21.32 C ATOM 781 C MET A 730 8.203 -17.043 -10.840 1.00 18.75 C ATOM 782 O MET A 730 8.912 -17.147 -9.843 1.00 18.50 O ATOM 783 CB MET A 730 7.933 -18.821 -12.548 1.00 24.68 C ATOM 784 CG MET A 730 9.420 -18.895 -12.402 1.00 29.55 C ATOM 785 SD MET A 730 9.808 -20.498 -11.754 1.00 38.73 S ATOM 786 CE MET A 730 9.841 -20.954 -13.470 1.00 35.58 C ATOM 787 H MET A 730 5.602 -17.753 -12.523 1.00 0.00 H ATOM 788 N MET A 731 8.087 -15.925 -11.535 1.00 17.95 N ATOM 789 CA MET A 731 8.786 -14.711 -11.072 1.00 16.48 C ATOM 790 C MET A 731 8.513 -14.335 -9.610 1.00 16.74 C ATOM 791 O MET A 731 9.426 -14.048 -8.812 1.00 17.14 O ATOM 792 CB MET A 731 8.510 -13.515 -12.021 1.00 16.55 C ATOM 793 CG MET A 731 9.389 -12.291 -11.740 1.00 16.53 C ATOM 794 SD MET A 731 9.081 -10.946 -12.850 1.00 17.63 S ATOM 795 CE MET A 731 7.520 -10.401 -12.161 1.00 17.91 C ATOM 796 H MET A 731 7.509 -15.901 -12.399 1.00 0.00 H ATOM 797 N PHE A 732 7.250 -14.259 -9.225 1.00 17.01 N ATOM 798 CA PHE A 732 6.898 -13.873 -7.855 1.00 18.07 C ATOM 799 C PHE A 732 7.282 -14.945 -6.831 1.00 18.15 C ATOM 800 O PHE A 732 7.738 -14.593 -5.749 1.00 18.74 O ATOM 801 CB PHE A 732 5.403 -13.509 -7.772 1.00 18.31 C ATOM 802 CG PHE A 732 4.993 -12.373 -8.688 1.00 18.81 C ATOM 803 CD1 PHE A 732 5.708 -11.179 -8.691 1.00 19.32 C ATOM 804 CD2 PHE A 732 3.853 -12.473 -9.515 1.00 20.01 C ATOM 805 CE1 PHE A 732 5.321 -10.095 -9.516 1.00 19.96 C ATOM 806 CE2 PHE A 732 3.526 -11.416 -10.375 1.00 19.64 C ATOM 807 CZ PHE A 732 4.247 -10.251 -10.369 1.00 19.26 C ATOM 808 H PHE A 732 6.494 -14.477 -9.905 1.00 0.00 H ATOM 809 N ASN A 733 7.138 -16.223 -7.182 1.00 19.05 N ATOM 810 CA ASN A 733 7.597 -17.360 -6.328 1.00 21.48 C ATOM 811 C ASN A 733 9.099 -17.252 -6.142 1.00 20.21 C ATOM 812 O ASN A 733 9.543 -17.420 -5.032 1.00 20.44 O ATOM 813 CB ASN A 733 7.263 -18.711 -6.944 1.00 24.80 C ATOM 814 CG ASN A 733 5.826 -19.041 -6.808 1.00 30.27 C ATOM 815 OD1 ASN A 733 5.079 -18.432 -5.991 1.00 33.89 O ATOM 816 ND2 ASN A 733 5.370 -19.985 -7.611 1.00 34.44 N ATOM 817 HD22 ASN A 733 6.016 -20.464 -8.270 1.00 0.00 H ATOM 818 HD21 ASN A 733 4.365 -20.250 -7.584 1.00 0.00 H ATOM 819 H ASN A 733 6.685 -16.439 -8.093 1.00 0.00 H ATOM 820 N ASN A 734 9.834 -16.946 -7.227 1.00 19.03 N ATOM 821 CA ASN A 734 11.299 -16.763 -7.138 1.00 18.06 C ATOM 822 C ASN A 734 11.585 -15.641 -6.145 1.00 17.86 C ATOM 823 O ASN A 734 12.393 -15.801 -5.185 1.00 18.01 O ATOM 824 CB ASN A 734 11.946 -16.417 -8.494 1.00 17.76 C ATOM 825 CG ASN A 734 12.005 -17.557 -9.481 1.00 18.55 C ATOM 826 OD1 ASN A 734 11.869 -18.770 -9.145 1.00 21.11 O ATOM 827 ND2 ASN A 734 12.257 -17.212 -10.725 1.00 19.19 N ATOM 828 HD22 ASN A 734 12.364 -16.208 -10.975 1.00 0.00 H ATOM 829 HD21 ASN A 734 12.349 -17.943 -11.459 1.00 0.00 H ATOM 830 H ASN A 734 9.362 -16.836 -8.147 1.00 0.00 H ATOM 831 N ALA A 735 10.948 -14.491 -6.296 1.00 16.97 N ATOM 832 CA ALA A 735 11.206 -13.320 -5.385 1.00 16.46 C ATOM 833 C ALA A 735 10.987 -13.743 -3.903 1.00 17.30 C ATOM 834 O ALA A 735 11.664 -13.301 -2.997 1.00 17.08 O ATOM 835 CB ALA A 735 10.299 -12.143 -5.804 1.00 16.54 C ATOM 836 H ALA A 735 10.252 -14.394 -7.063 1.00 0.00 H ATOM 837 N CYS A 736 9.853 -14.459 -3.647 1.00 18.24 N ATOM 838 CA CYS A 736 9.507 -14.880 -2.296 1.00 19.57 C ATOM 839 C CYS A 736 10.296 -16.122 -1.801 1.00 21.99 C ATOM 840 O CYS A 736 10.160 -16.518 -0.646 1.00 25.09 O ATOM 841 CB CYS A 736 8.039 -15.167 -2.227 1.00 19.72 C ATOM 842 SG CYS A 736 7.044 -13.679 -2.515 1.00 20.25 S ATOM 843 H CYS A 736 9.222 -14.710 -4.435 1.00 0.00 H ATOM 844 N THR A 737 11.123 -16.726 -2.638 1.00 22.92 N ATOM 845 CA THR A 737 12.046 -17.783 -2.206 1.00 23.35 C ATOM 846 C THR A 737 13.397 -17.166 -1.874 1.00 23.64 C ATOM 847 O THR A 737 14.012 -17.438 -0.805 1.00 24.97 O ATOM 848 CB THR A 737 12.223 -18.775 -3.377 1.00 23.91 C ATOM 849 OG1 THR A 737 11.014 -19.391 -3.629 1.00 23.48 O ATOM 850 CG2 THR A 737 13.233 -19.859 -3.102 1.00 25.02 C ATOM 851 HG1 THR A 737 10.340 -18.707 -3.869 1.00 0.00 H ATOM 852 H THR A 737 11.119 -16.442 -3.638 1.00 0.00 H ATOM 853 N TYR A 738 13.862 -16.278 -2.755 1.00 22.39 N ATOM 854 CA TYR A 738 15.166 -15.593 -2.513 1.00 23.32 C ATOM 855 C TYR A 738 15.120 -14.630 -1.334 1.00 23.52 C ATOM 856 O TYR A 738 16.018 -14.619 -0.532 1.00 26.72 O ATOM 857 CB TYR A 738 15.625 -14.840 -3.772 1.00 23.14 C ATOM 858 CG TYR A 738 16.841 -13.978 -3.521 1.00 23.39 C ATOM 859 CD1 TYR A 738 17.991 -14.529 -2.938 1.00 25.92 C ATOM 860 CD2 TYR A 738 16.838 -12.628 -3.816 1.00 22.92 C ATOM 861 CE1 TYR A 738 19.080 -13.736 -2.671 1.00 26.20 C ATOM 862 CE2 TYR A 738 17.938 -11.820 -3.546 1.00 25.28 C ATOM 863 CZ TYR A 738 19.053 -12.424 -2.980 1.00 26.49 C ATOM 864 OH TYR A 738 20.038 -11.554 -2.709 1.00 30.00 O ATOM 865 HH TYR A 738 19.708 -10.872 -2.072 1.00 0.00 H ATOM 866 H TYR A 738 13.314 -16.063 -3.613 1.00 0.00 H ATOM 867 N ASN A 739 14.120 -13.749 -1.272 1.00 21.26 N ATOM 868 CA ASN A 739 13.988 -12.774 -0.237 1.00 20.65 C ATOM 869 C ASN A 739 13.257 -13.288 0.992 1.00 20.91 C ATOM 870 O ASN A 739 12.483 -14.276 0.923 1.00 21.14 O ATOM 871 CB ASN A 739 13.268 -11.557 -0.790 1.00 20.87 C ATOM 872 CG ASN A 739 14.039 -10.900 -1.907 1.00 20.20 C ATOM 873 OD1 ASN A 739 14.991 -10.083 -1.626 1.00 23.28 O ATOM 874 ND2 ASN A 739 13.610 -11.096 -3.148 1.00 19.17 N ATOM 875 HD22 ASN A 739 12.837 -11.767 -3.331 1.00 0.00 H ATOM 876 HD21 ASN A 739 14.047 -10.579 -3.937 1.00 0.00 H ATOM 877 H ASN A 739 13.397 -13.774 -2.019 1.00 0.00 H ATOM 878 N GLU A 740 13.547 -12.669 2.121 1.00 20.99 N ATOM 879 CA GLU A 740 12.870 -13.001 3.390 1.00 22.46 C ATOM 880 C GLU A 740 11.509 -12.291 3.419 1.00 20.14 C ATOM 881 O GLU A 740 11.299 -11.248 2.821 1.00 19.58 O ATOM 882 CB GLU A 740 13.663 -12.500 4.599 1.00 24.28 C ATOM 883 CG GLU A 740 14.982 -13.181 4.815 1.00 25.96 C ATOM 884 CD GLU A 740 14.864 -14.656 4.871 1.00 27.91 C ATOM 885 OE1 GLU A 740 14.097 -15.176 5.686 1.00 28.89 O ATOM 886 OE2 GLU A 740 15.620 -15.363 4.145 1.00 34.25 O ATOM 887 H GLU A 740 14.274 -11.925 2.116 1.00 0.00 H ATOM 888 N PRO A 741 10.548 -12.876 4.164 1.00 20.39 N ATOM 889 CA PRO A 741 9.197 -12.205 4.282 1.00 20.36 C ATOM 890 C PRO A 741 9.177 -10.791 4.785 1.00 21.81 C ATOM 891 O PRO A 741 8.274 -10.062 4.413 1.00 21.87 O ATOM 892 CB PRO A 741 8.493 -13.053 5.314 1.00 21.26 C ATOM 893 CG PRO A 741 9.176 -14.382 5.289 1.00 21.62 C ATOM 894 CD PRO A 741 10.579 -14.180 4.805 1.00 20.51 C ATOM 895 N GLU A 742 10.216 -10.365 5.566 1.00 22.70 N ATOM 896 CA GLU A 742 10.223 -9.032 6.100 1.00 24.37 C ATOM 897 C GLU A 742 10.686 -7.982 5.046 1.00 25.58 C ATOM 898 O GLU A 742 10.556 -6.780 5.271 1.00 28.02 O ATOM 899 CB GLU A 742 11.129 -8.947 7.301 1.00 26.06 C ATOM 900 CG GLU A 742 10.720 -9.748 8.517 1.00 26.61 C ATOM 901 CD GLU A 742 10.887 -11.250 8.402 1.00 26.58 C ATOM 902 OE1 GLU A 742 11.788 -11.743 7.677 1.00 23.66 O ATOM 903 OE2 GLU A 742 10.051 -11.939 9.055 1.00 25.77 O ATOM 904 H GLU A 742 11.005 -11.010 5.774 1.00 0.00 H ATOM 905 N SER A 743 11.240 -8.442 3.939 1.00 24.63 N ATOM 906 CA SER A 743 11.681 -7.527 2.883 1.00 24.81 C ATOM 907 C SER A 743 10.545 -6.897 2.098 1.00 23.61 C ATOM 908 O SER A 743 9.523 -7.533 1.823 1.00 21.85 O ATOM 909 CB SER A 743 12.669 -8.140 1.959 1.00 26.06 C ATOM 910 OG SER A 743 12.077 -9.049 1.136 1.00 28.58 O ATOM 911 HG SER A 743 11.666 -9.767 1.680 1.00 0.00 H ATOM 912 H SER A 743 11.365 -9.467 3.815 1.00 0.00 H ATOM 913 N LEU A 744 10.784 -5.686 1.649 1.00 22.49 N ATOM 914 CA LEU A 744 9.828 -5.005 0.833 1.00 21.76 C ATOM 915 C LEU A 744 9.584 -5.668 -0.519 1.00 20.56 C ATOM 916 O LEU A 744 8.449 -5.681 -0.998 1.00 18.66 O ATOM 917 CB LEU A 744 10.166 -3.499 0.655 1.00 23.46 C ATOM 918 CG LEU A 744 9.072 -2.669 -0.051 1.00 24.34 C ATOM 919 CD1 LEU A 744 7.765 -2.779 0.730 1.00 25.01 C ATOM 920 CD2 LEU A 744 9.545 -1.228 -0.159 1.00 25.95 C ATOM 921 H LEU A 744 11.680 -5.217 1.890 1.00 0.00 H ATOM 922 N ILE A 745 10.611 -6.209 -1.178 1.00 19.14 N ATOM 923 CA ILE A 745 10.447 -6.823 -2.476 1.00 20.27 C ATOM 924 C ILE A 745 9.516 -8.054 -2.351 1.00 18.54 C ATOM 925 O ILE A 745 8.702 -8.352 -3.276 1.00 19.19 O ATOM 926 CB ILE A 745 11.810 -7.250 -3.039 1.00 21.51 C ATOM 927 CG1 ILE A 745 12.638 -5.966 -3.256 1.00 24.93 C ATOM 928 CG2 ILE A 745 11.668 -8.020 -4.339 1.00 22.20 C ATOM 929 CD1 ILE A 745 14.093 -6.121 -3.022 1.00 27.10 C ATOM 930 H ILE A 745 11.556 -6.188 -0.745 1.00 0.00 H ATOM 931 N TYR A 746 9.617 -8.759 -1.221 1.00 18.33 N ATOM 932 CA TYR A 746 8.777 -9.921 -0.917 1.00 18.54 C ATOM 933 C TYR A 746 7.296 -9.467 -0.913 1.00 18.60 C ATOM 934 O TYR A 746 6.441 -10.093 -1.562 1.00 18.87 O ATOM 935 CB TYR A 746 9.203 -10.572 0.391 1.00 19.10 C ATOM 936 CG TYR A 746 8.522 -11.859 0.773 1.00 19.20 C ATOM 937 CD1 TYR A 746 7.194 -11.881 1.214 1.00 19.45 C ATOM 938 CD2 TYR A 746 9.215 -13.088 0.765 1.00 18.78 C ATOM 939 CE1 TYR A 746 6.569 -13.088 1.543 1.00 20.11 C ATOM 940 CE2 TYR A 746 8.609 -14.265 1.176 1.00 20.02 C ATOM 941 CZ TYR A 746 7.299 -14.275 1.546 1.00 20.20 C ATOM 942 OH TYR A 746 6.738 -15.474 1.916 1.00 21.68 O ATOM 943 HH TYR A 746 7.227 -15.839 2.695 1.00 0.00 H ATOM 944 H TYR A 746 10.329 -8.468 -0.521 1.00 0.00 H ATOM 945 N LYS A 747 7.032 -8.399 -0.175 1.00 19.05 N ATOM 946 CA LYS A 747 5.619 -7.878 0.003 1.00 20.48 C ATOM 947 C LYS A 747 5.096 -7.381 -1.336 1.00 19.19 C ATOM 948 O LYS A 747 3.990 -7.627 -1.722 1.00 18.82 O ATOM 949 CB LYS A 747 5.664 -6.770 1.032 1.00 23.62 C ATOM 950 CG LYS A 747 6.091 -7.306 2.375 1.00 28.02 C ATOM 951 CD LYS A 747 6.548 -6.242 3.356 1.00 32.67 C ATOM 952 CE LYS A 747 7.391 -6.895 4.418 1.00 35.32 C ATOM 953 NZ LYS A 747 7.506 -5.910 5.540 1.00 38.98 N ATOM 954 HZ1 LYS A 747 7.957 -5.040 5.191 1.00 0.00 H ATOM 955 HZ2 LYS A 747 6.557 -5.688 5.904 1.00 0.00 H ATOM 956 HZ3 LYS A 747 8.084 -6.320 6.302 1.00 0.00 H ATOM 957 H LYS A 747 7.816 -7.904 0.296 1.00 0.00 H ATOM 958 N ASP A 748 5.952 -6.696 -2.107 1.00 19.22 N ATOM 959 CA ASP A 748 5.587 -6.208 -3.438 1.00 18.20 C ATOM 960 C ASP A 748 5.225 -7.363 -4.387 1.00 17.40 C ATOM 961 O ASP A 748 4.240 -7.265 -5.202 1.00 17.70 O ATOM 962 CB ASP A 748 6.715 -5.364 -4.050 1.00 18.85 C ATOM 963 CG ASP A 748 6.909 -3.987 -3.390 1.00 20.19 C ATOM 964 OD1 ASP A 748 6.050 -3.501 -2.571 1.00 21.29 O ATOM 965 OD2 ASP A 748 7.935 -3.313 -3.801 1.00 20.81 O ATOM 966 H ASP A 748 6.909 -6.505 -1.747 1.00 0.00 H ATOM 967 N ALA A 749 5.988 -8.466 -4.286 1.00 17.01 N ATOM 968 CA ALA A 749 5.719 -9.671 -5.108 1.00 17.05 C ATOM 969 C ALA A 749 4.342 -10.240 -4.763 1.00 17.09 C ATOM 970 O ALA A 749 3.559 -10.641 -5.649 1.00 17.56 O ATOM 971 CB ALA A 749 6.731 -10.749 -4.848 1.00 17.45 C ATOM 972 H ALA A 749 6.784 -8.474 -3.617 1.00 0.00 H ATOM 973 N LEU A 750 4.018 -10.270 -3.482 1.00 17.13 N ATOM 974 CA LEU A 750 2.676 -10.768 -3.041 1.00 18.25 C ATOM 975 C LEU A 750 1.567 -9.939 -3.597 1.00 18.54 C ATOM 976 O LEU A 750 0.527 -10.496 -4.057 1.00 18.01 O ATOM 977 CB LEU A 750 2.566 -10.818 -1.519 1.00 19.49 C ATOM 978 CG LEU A 750 3.351 -11.774 -0.689 1.00 21.55 C ATOM 979 CD1 LEU A 750 2.990 -11.680 0.802 1.00 22.54 C ATOM 980 CD2 LEU A 750 3.257 -13.196 -1.264 1.00 22.57 C ATOM 981 H LEU A 750 4.704 -9.944 -2.771 1.00 0.00 H ATOM 982 N VAL A 751 1.708 -8.617 -3.488 1.00 18.01 N ATOM 983 CA VAL A 751 0.713 -7.688 -4.058 1.00 18.06 C ATOM 984 C VAL A 751 0.544 -7.876 -5.549 1.00 17.37 C ATOM 985 O VAL A 751 -0.607 -7.958 -6.073 1.00 16.65 O ATOM 986 CB VAL A 751 1.028 -6.222 -3.693 1.00 18.80 C ATOM 987 CG1 VAL A 751 0.090 -5.208 -4.383 1.00 19.92 C ATOM 988 CG2 VAL A 751 1.001 -6.025 -2.197 1.00 19.61 C ATOM 989 H VAL A 751 2.537 -8.233 -2.991 1.00 0.00 H ATOM 990 N LEU A 752 1.649 -7.919 -6.305 1.00 15.80 N ATOM 991 CA LEU A 752 1.539 -8.033 -7.755 1.00 15.97 C ATOM 992 C LEU A 752 0.999 -9.400 -8.202 1.00 16.14 C ATOM 993 O LEU A 752 0.331 -9.463 -9.199 1.00 15.99 O ATOM 994 CB LEU A 752 2.864 -7.680 -8.439 1.00 16.35 C ATOM 995 CG LEU A 752 3.295 -6.251 -8.356 1.00 16.78 C ATOM 996 CD1 LEU A 752 4.701 -6.122 -8.940 1.00 17.72 C ATOM 997 CD2 LEU A 752 2.336 -5.333 -9.122 1.00 17.34 C ATOM 998 H LEU A 752 2.587 -7.871 -5.857 1.00 0.00 H ATOM 999 N HIS A 753 1.180 -10.433 -7.373 1.00 16.25 N ATOM 1000 CA HIS A 753 0.676 -11.788 -7.661 1.00 17.52 C ATOM 1001 C HIS A 753 -0.880 -11.708 -7.519 1.00 18.01 C ATOM 1002 O HIS A 753 -1.573 -12.180 -8.398 1.00 17.08 O ATOM 1003 CB HIS A 753 1.319 -12.763 -6.714 1.00 19.31 C ATOM 1004 CG HIS A 753 0.786 -14.131 -6.851 1.00 22.40 C ATOM 1005 ND1 HIS A 753 -0.231 -14.605 -6.045 1.00 26.89 N ATOM 1006 CD2 HIS A 753 1.018 -15.083 -7.762 1.00 25.82 C ATOM 1007 CE1 HIS A 753 -0.577 -15.830 -6.445 1.00 27.53 C ATOM 1008 NE2 HIS A 753 0.188 -16.160 -7.477 1.00 26.28 N ATOM 1009 H HIS A 753 1.699 -10.274 -6.486 1.00 0.00 H ATOM 1010 N LYS A 754 -1.359 -10.943 -6.541 1.00 18.54 N ATOM 1011 CA LYS A 754 -2.821 -10.725 -6.389 1.00 20.23 C ATOM 1012 C LYS A 754 -3.370 -9.951 -7.619 1.00 19.10 C ATOM 1013 O LYS A 754 -4.465 -10.275 -8.105 1.00 20.06 O ATOM 1014 CB LYS A 754 -3.152 -9.972 -5.099 1.00 23.98 C ATOM 1015 CG LYS A 754 -4.598 -9.525 -4.895 1.00 30.13 C ATOM 1016 CD LYS A 754 -4.792 -8.848 -3.519 1.00 35.60 C ATOM 1017 CE LYS A 754 -6.093 -8.038 -3.437 1.00 41.12 C ATOM 1018 NZ LYS A 754 -6.078 -7.111 -2.262 1.00 44.61 N ATOM 1019 HZ1 LYS A 754 -5.974 -7.664 -1.387 1.00 0.00 H ATOM 1020 HZ2 LYS A 754 -5.280 -6.451 -2.353 1.00 0.00 H ATOM 1021 HZ3 LYS A 754 -6.970 -6.577 -2.232 1.00 0.00 H ATOM 1022 H LYS A 754 -0.701 -10.492 -5.874 1.00 0.00 H ATOM 1023 N VAL A 755 -2.656 -8.935 -8.055 1.00 18.05 N ATOM 1024 CA VAL A 755 -2.969 -8.122 -9.237 1.00 18.82 C ATOM 1025 C VAL A 755 -3.046 -8.959 -10.484 1.00 18.55 C ATOM 1026 O VAL A 755 -4.016 -8.887 -11.233 1.00 17.93 O ATOM 1027 CB VAL A 755 -2.044 -6.904 -9.469 1.00 19.18 C ATOM 1028 CG1 VAL A 755 -2.272 -6.270 -10.852 1.00 19.95 C ATOM 1029 CG2 VAL A 755 -2.075 -5.869 -8.330 1.00 20.80 C ATOM 1030 H VAL A 755 -1.800 -8.688 -7.518 1.00 0.00 H ATOM 1031 N LEU A 756 -2.077 -9.868 -10.658 1.00 16.80 N ATOM 1032 CA LEU A 756 -2.066 -10.789 -11.766 1.00 17.47 C ATOM 1033 C LEU A 756 -3.299 -11.643 -11.799 1.00 17.34 C ATOM 1034 O LEU A 756 -3.904 -11.831 -12.835 1.00 17.97 O ATOM 1035 CB LEU A 756 -0.846 -11.713 -11.578 1.00 17.68 C ATOM 1036 CG LEU A 756 -0.609 -12.809 -12.602 1.00 18.68 C ATOM 1037 CD1 LEU A 756 -0.050 -12.182 -13.906 1.00 20.00 C ATOM 1038 CD2 LEU A 756 0.391 -13.822 -12.092 1.00 19.16 C ATOM 1039 H LEU A 756 -1.302 -9.910 -9.966 1.00 0.00 H ATOM 1040 N LEU A 757 -3.604 -12.243 -10.674 1.00 17.89 N ATOM 1041 CA LEU A 757 -4.777 -13.174 -10.611 1.00 19.04 C ATOM 1042 C LEU A 757 -6.073 -12.500 -10.776 1.00 20.07 C ATOM 1043 O LEU A 757 -7.011 -13.106 -11.358 1.00 20.26 O ATOM 1044 CB LEU A 757 -4.737 -14.026 -9.339 1.00 20.61 C ATOM 1045 CG LEU A 757 -3.527 -14.953 -9.211 1.00 22.53 C ATOM 1046 CD1 LEU A 757 -3.697 -15.787 -7.946 1.00 23.39 C ATOM 1047 CD2 LEU A 757 -3.239 -15.852 -10.403 1.00 24.09 C ATOM 1048 H LEU A 757 -3.031 -12.073 -9.823 1.00 0.00 H ATOM 1049 N GLU A 758 -6.191 -11.289 -10.218 1.00 19.35 N ATOM 1050 CA GLU A 758 -7.462 -10.539 -10.386 1.00 21.43 C ATOM 1051 C GLU A 758 -7.711 -10.260 -11.873 1.00 21.67 C ATOM 1052 O GLU A 758 -8.848 -10.376 -12.419 1.00 21.62 O ATOM 1053 CB GLU A 758 -7.419 -9.311 -9.499 1.00 24.29 C ATOM 1054 CG GLU A 758 -8.757 -8.588 -9.325 1.00 29.21 C ATOM 1055 CD GLU A 758 -8.586 -7.201 -8.737 1.00 34.06 C ATOM 1056 OE1 GLU A 758 -7.521 -6.940 -8.148 1.00 41.30 O ATOM 1057 OE2 GLU A 758 -9.493 -6.378 -8.930 1.00 42.02 O ATOM 1058 H GLU A 758 -5.404 -10.879 -9.675 1.00 0.00 H ATOM 1059 N THR A 759 -6.637 -9.900 -12.574 1.00 21.02 N ATOM 1060 CA THR A 759 -6.704 -9.675 -13.981 1.00 22.18 C ATOM 1061 C THR A 759 -7.058 -10.889 -14.792 1.00 22.77 C ATOM 1062 O THR A 759 -7.954 -10.822 -15.640 1.00 23.80 O ATOM 1063 CB THR A 759 -5.377 -9.093 -14.552 1.00 22.29 C ATOM 1064 OG1 THR A 759 -5.019 -7.939 -13.816 1.00 23.76 O ATOM 1065 CG2 THR A 759 -5.557 -8.694 -16.028 1.00 22.93 C ATOM 1066 HG1 THR A 759 -4.893 -8.182 -12.864 1.00 0.00 H ATOM 1067 H THR A 759 -5.728 -9.780 -12.084 1.00 0.00 H ATOM 1068 N ARG A 760 -6.401 -12.011 -14.510 1.00 22.73 N ATOM 1069 CA ARG A 760 -6.722 -13.242 -15.148 1.00 24.09 C ATOM 1070 C ARG A 760 -8.191 -13.685 -14.909 1.00 24.87 C ATOM 1071 O ARG A 760 -8.821 -14.233 -15.809 1.00 25.54 O ATOM 1072 CB ARG A 760 -5.706 -14.321 -14.696 1.00 25.56 C ATOM 1073 CG ARG A 760 -6.012 -15.734 -15.148 1.00 28.24 C ATOM 1074 CD ARG A 760 -6.036 -15.809 -16.668 1.00 30.74 C ATOM 1075 NE ARG A 760 -6.324 -17.163 -17.168 1.00 34.83 N ATOM 1076 CZ ARG A 760 -7.556 -17.597 -17.464 1.00 38.10 C ATOM 1077 NH1 ARG A 760 -8.623 -16.804 -17.349 1.00 39.32 N ATOM 1078 NH2 ARG A 760 -7.733 -18.848 -17.901 1.00 41.16 N ATOM 1079 HE ARG A 760 -5.527 -17.819 -17.299 1.00 0.00 H ATOM 1080 HH12 ARG A 760 -9.568 -17.167 -17.586 1.00 0.00 H ATOM 1081 HH11 ARG A 760 -8.509 -15.823 -17.023 1.00 0.00 H ATOM 1082 HH22 ARG A 760 -8.688 -19.188 -18.132 1.00 0.00 H ATOM 1083 HH21 ARG A 760 -6.915 -19.481 -18.010 1.00 0.00 H ATOM 1084 H ARG A 760 -5.635 -11.988 -13.807 1.00 0.00 H ATOM 1085 N ARG A 761 -8.662 -13.456 -13.696 1.00 24.61 N ATOM 1086 CA ARG A 761 -10.031 -13.900 -13.269 1.00 26.41 C ATOM 1087 C ARG A 761 -11.064 -13.284 -14.199 1.00 28.56 C ATOM 1088 O ARG A 761 -12.092 -13.915 -14.515 1.00 29.65 O ATOM 1089 CB ARG A 761 -10.202 -13.496 -11.786 1.00 25.70 C ATOM 1090 CG ARG A 761 -11.350 -14.051 -11.004 1.00 26.48 C ATOM 1091 CD ARG A 761 -11.280 -13.679 -9.512 1.00 25.44 C ATOM 1092 NE ARG A 761 -10.196 -14.409 -8.862 1.00 23.97 N ATOM 1093 CZ ARG A 761 -9.124 -13.875 -8.268 1.00 23.67 C ATOM 1094 NH1 ARG A 761 -8.983 -12.565 -8.070 1.00 24.24 N ATOM 1095 NH2 ARG A 761 -8.176 -14.683 -7.784 1.00 22.60 N ATOM 1096 HE ARG A 761 -10.264 -15.447 -8.861 1.00 0.00 H ATOM 1097 HH12 ARG A 761 -8.129 -12.199 -7.603 1.00 0.00 H ATOM 1098 HH11 ARG A 761 -9.727 -11.909 -8.383 1.00 0.00 H ATOM 1099 HH22 ARG A 761 -7.337 -14.280 -7.320 1.00 0.00 H ATOM 1100 HH21 ARG A 761 -8.277 -15.714 -7.872 1.00 0.00 H ATOM 1101 H ARG A 761 -8.063 -12.950 -13.013 1.00 0.00 H ATOM 1102 N ASP A 762 -10.807 -12.075 -14.635 1.00 31.07 N ATOM 1103 CA ASP A 762 -11.709 -11.371 -15.570 1.00 35.25 C ATOM 1104 C ASP A 762 -11.603 -11.720 -17.042 1.00 39.57 C ATOM 1105 O ASP A 762 -12.583 -11.636 -17.799 1.00 38.59 O ATOM 1106 CB ASP A 762 -11.548 -9.877 -15.355 1.00 37.27 C ATOM 1107 CG ASP A 762 -12.427 -9.376 -14.209 1.00 42.85 C ATOM 1108 OD1 ASP A 762 -13.318 -10.127 -13.752 1.00 42.85 O ATOM 1109 OD2 ASP A 762 -12.250 -8.237 -13.759 1.00 48.07 O ATOM 1110 H ASP A 762 -9.942 -11.596 -14.313 1.00 0.00 H ATOM 1111 N LEU A 763 -10.415 -12.105 -17.444 1.00 40.15 N ATOM 1112 CA LEU A 763 -10.047 -12.625 -18.771 1.00 45.72 C ATOM 1113 C LEU A 763 -9.338 -11.573 -19.616 1.00 48.32 C ATOM 1114 O LEU A 763 -8.143 -11.392 -19.455 1.00 49.87 O ATOM 1115 CB LEU A 763 -11.172 -13.343 -19.535 1.00 47.66 C ATOM 1116 CG LEU A 763 -11.217 -14.807 -19.114 1.00 47.33 C ATOM 1117 CD1 LEU A 763 -11.905 -14.973 -17.764 1.00 47.08 C ATOM 1118 CD2 LEU A 763 -11.847 -15.614 -20.237 1.00 48.54 C ATOM 1119 H LEU A 763 -9.647 -12.035 -16.747 1.00 0.00 H TER 1120 LEU A 763 HETATM 1121 O HOH 1 16.064 -5.279 -10.700 1.00 20.67 O HETATM 1122 O HOH 2 19.298 -9.120 -2.263 1.00 42.35 O HETATM 1123 O HOH 3 11.724 -16.611 1.794 1.00 33.63 O HETATM 1124 O HOH 4 10.381 -3.141 -4.689 1.00 31.70 O HETATM 1125 O HOH 5 12.477 -14.096 -10.732 1.00 19.07 O HETATM 1126 O HOH 6 3.439 -2.327 -10.726 1.00 19.73 O HETATM 1127 O HOH 7 -2.879 -2.465 -12.693 1.00 30.00 O HETATM 1128 O HOH 8 8.297 -17.583 2.554 1.00 35.27 O HETATM 1129 O HOH 9 13.967 -17.633 6.804 1.00 24.34 O HETATM 1130 O HOH 10 -0.688 -18.626 -8.220 1.00 33.13 O HETATM 1131 O HOH 11 15.363 -10.452 -19.652 1.00 33.14 O HETATM 1132 O HOH 12 16.719 -8.504 -3.027 1.00 22.96 O HETATM 1133 O HOH 13 3.686 -3.837 -1.171 1.00 31.63 O HETATM 1134 O HOH 14 4.847 -21.053 -12.392 1.00 35.55 O HETATM 1135 O HOH 15 9.660 -2.016 -7.407 1.00 26.42 O HETATM 1136 O HOH 16 14.437 -2.687 -18.125 1.00 37.47 O HETATM 1137 O HOH 17 -4.427 -4.008 -18.376 1.00 32.67 O HETATM 1138 O HOH 18 13.085 -21.134 -10.138 1.00 24.37 O HETATM 1139 O HOH 19 29.988 -10.828 -7.526 1.00 28.99 O HETATM 1140 O HOH 20 15.455 -10.514 2.383 1.00 32.11 O HETATM 1141 O HOH 21 -7.247 -15.991 -11.125 1.00 33.91 O HETATM 1142 O HOH 22 14.335 -3.171 -13.153 1.00 20.33 O HETATM 1143 O HOH 23 13.492 -4.664 2.202 1.00 33.61 O HETATM 1144 O HOH 24 -1.904 0.883 -1.762 1.00 33.46 O HETATM 1145 O HOH 25 7.802 3.947 -8.666 1.00 28.57 O HETATM 1146 O HOH 26 -2.962 1.158 -10.226 1.00 37.45 O HETATM 1147 O HOH 27 8.996 0.620 -6.523 1.00 28.11 O HETATM 1148 O HOH 28 21.163 -8.303 -21.736 1.00 39.05 O HETATM 1149 O HOH 29 14.141 -22.289 -7.504 1.00 37.82 O HETATM 1150 O HOH 30 3.882 -15.695 -4.492 1.00 43.93 O HETATM 1151 O HOH 31 -4.103 -5.988 -4.759 1.00 52.28 O HETATM 1152 O HOH 32 -0.964 9.034 0.120 1.00 52.59 O HETATM 1153 O HOH 33 11.087 -0.285 -4.657 1.00 38.88 O HETATM 1154 O HOH 34 20.295 -22.844 -8.991 1.00 55.34 O HETATM 1155 O HOH 35 9.956 -16.699 -21.135 1.00 50.57 O HETATM 1156 O HOH 36 -8.737 -17.335 -12.895 1.00 54.36 O HETATM 1157 O HOH 37 15.138 -9.270 5.202 1.00 48.96 O HETATM 1158 O HOH 38 -1.969 -19.688 -10.639 1.00 60.16 O HETATM 1159 O HOH 39 15.198 -26.195 -7.292 1.00 52.10 O HETATM 1160 CAG UNN A 40 14.872 -9.303 -7.614 1.00 0.05 C HETATM 1161 CAD UNN A 40 14.378 -9.352 -8.897 1.00 -0.02 C HETATM 1162 CAC UNN A 40 14.635 -8.389 -9.922 1.00 -0.06 C HETATM 1163 CAB UNN A 40 14.096 -8.472 -11.209 1.00 -0.07 C HETATM 1164 CAA UNN A 40 13.206 -9.509 -11.531 1.00 -0.06 C HETATM 1165 CAF UNN A 40 12.926 -10.443 -10.538 1.00 -0.05 C HETATM 1166 CAE UNN A 40 13.463 -10.399 -9.244 1.00 0.06 C HETATM 1167 CAJ UNN A 40 13.166 -11.378 -8.287 1.00 0.28 C HETATM 1168 OAK UNN A 40 12.394 -12.335 -8.476 1.00 -0.36 O HETATM 1169 OAI UNN A 40 13.658 -11.293 -7.077 1.00 -0.17 O HETATM 1170 CAH UNN A 40 14.486 -10.260 -6.725 1.00 0.26 C HETATM 1171 NAN UNN A 40 15.092 -10.081 -5.576 1.00 -0.19 N HETATM 1172 NAM UNN A 40 15.810 -9.021 -5.653 1.00 -0.24 N HETATM 1173 CAL UNN A 40 15.714 -8.524 -6.862 1.00 0.01 C HETATM 1174 CAO UNN A 40 16.494 -7.279 -7.251 1.00 -0.02 C HETATM 1175 CAP UNN A 40 17.175 -6.747 -5.980 1.00 -0.04 C HETATM 1176 CAQ UNN A 40 18.092 -5.586 -6.371 1.00 -0.05 C HETATM 1177 CAR UNN A 40 18.689 -4.975 -5.091 1.00 -0.07 C HETATM 1178 H12 UNN A 40 19.351 -4.138 -5.358 1.00 0.02 H HETATM 1179 H13 UNN A 40 19.266 -5.742 -4.553 1.00 0.02 H HETATM 1180 H14 UNN A 40 17.877 -4.608 -4.446 1.00 0.02 H HETATM 1181 H10 UNN A 40 17.512 -4.822 -6.910 1.00 0.03 H HETATM 1182 H11 UNN A 40 18.902 -5.956 -7.017 1.00 0.03 H HETATM 1183 H8 UNN A 40 17.768 -7.548 -5.514 1.00 0.03 H HETATM 1184 H9 UNN A 40 16.412 -6.395 -5.270 1.00 0.03 H HETATM 1185 H6 UNN A 40 15.811 -6.519 -7.657 1.00 0.04 H HETATM 1186 H7 UNN A 40 17.253 -7.532 -8.006 1.00 0.04 H HETATM 1187 H5 UNN A 40 15.006 -10.690 -4.750 1.00 0.25 H HETATM 1188 H4 UNN A 40 12.250 -11.255 -10.780 1.00 0.06 H HETATM 1189 H3 UNN A 40 12.755 -9.579 -12.514 1.00 0.06 H HETATM 1190 H2 UNN A 40 14.365 -7.736 -11.958 1.00 0.06 H HETATM 1191 H1 UNN A 40 15.282 -7.551 -9.689 1.00 0.06 H CONECT 1 2 14 15 16 CONECT 14 1 CONECT 15 1 CONECT 16 1 CONECT 1160 1161 1170 1173 CONECT 1161 1160 1162 1166 CONECT 1162 1161 1163 1191 CONECT 1163 1162 1164 1190 CONECT 1164 1163 1165 1189 CONECT 1165 1164 1166 1188 CONECT 1166 1161 1165 1167 CONECT 1167 1166 1168 1169 CONECT 1168 1167 CONECT 1169 1167 1170 CONECT 1170 1160 1169 1171 CONECT 1171 1170 1172 1187 CONECT 1172 1171 1173 CONECT 1173 1160 1172 1174 CONECT 1174 1173 1175 1185 1186 CONECT 1175 1174 1176 1183 1184 CONECT 1176 1175 1177 1181 1182 CONECT 1177 1176 1178 1179 1180 CONECT 1178 1177 CONECT 1179 1177 CONECT 1180 1177 CONECT 1181 1176 CONECT 1182 1176 CONECT 1183 1175 CONECT 1184 1175 CONECT 1185 1174 CONECT 1186 1174 CONECT 1187 1171 CONECT 1188 1165 CONECT 1189 1164 CONECT 1190 1163 CONECT 1191 1162 MASTER 0 0 0 0 0 0 0 0 1190 1 36 9 END
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Related entries of code: 5hrx
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5fh6
RCSB PDB
PDBbind
124aa, >5FH6_1|Chains... *
5fh7
RCSB PDB
PDBbind
124aa, >5FH7_1|Chains... at 100%
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%
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
5hrx
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
fifth bromodomain of human PB1
Ligand Name
64F
EC.Number
E.C.-.-.-.-
Resolution
1.73(Å)
Affinity (Kd/Ki/IC50)
Kd=5.1uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J.Med.Chem. Vol. 59: pp. 8787-8803
Ligand Properties
Formula
C
1
4
H
1
4
N
2
O
2
Molecular Weight
242.273
Exact Mass
242.106
No. of atoms
32
No. of bonds
34
Polar Surface Area
58.89
LOGP Value
3.39 (
Computed with XLOGP3
)
3.01 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 3
Canonical SMILES
CCCCc1n[nH]c2c1c1ccccc1c(=O)o2
InChI String
InChI=1S/C14H14N2O2/c1-2-3-8-11-12-9-6-4-5-7-10(9)14(17)18-13(12)16-15-11/h4-7H,2-3,8H2,1H3,(H,15,16)
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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times since Nov 2007.
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