Browse entries in the PDBbind-CN Database
HEADER 5FDZ_COMPLEX COMPND 5FDZ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 107 ASP PRO ASP GLN LEU TYR SER THR LEU LYS SER ILE LEU SEQRES 2 A 107 GLN GLN VAL LYS SER HIS GLN SER ALA TRP PRO PHE MET SEQRES 3 A 107 GLU PRO VAL LYS ARG THR GLU ALA PRO GLY TYR TYR GLU SEQRES 4 A 107 VAL ILE ARG PHE PRO MET ASP LEU LYS THR MET SER GLU SEQRES 5 A 107 ARG LEU LYS ASN ARG TYR TYR VAL SER LYS LYS LEU PHE SEQRES 6 A 107 MET ALA ASP LEU GLN ARG VAL PHE THR ASN CYS LYS GLU SEQRES 7 A 107 TYR ASN PRO PRO GLU SER GLU TYR TYR LYS CYS ALA ASN SEQRES 8 A 107 ILE LEU GLU LYS PHE PHE PHE SER LYS ILE LYS GLU ALA SEQRES 9 A 107 GLY LEU ILE HET UNN A 144 52 ATOM 1 N ASP A 724 -1.829 40.898 91.787 1.00147.82 N ATOM 2 CA ASP A 724 -2.251 39.941 92.850 1.00146.66 C ATOM 3 C ASP A 724 -1.810 38.513 92.454 1.00140.70 C ATOM 4 O ASP A 724 -2.296 37.968 91.445 1.00135.17 O ATOM 5 CB ASP A 724 -3.775 40.024 93.051 1.00147.88 C ATOM 6 CG ASP A 724 -4.253 39.372 94.362 1.00149.34 C ATOM 7 OD1 ASP A 724 -3.472 38.665 95.036 1.00149.00 O ATOM 8 OD2 ASP A 724 -5.436 39.572 94.716 1.00150.37 O ATOM 9 HN3 ASP A 724 -2.275 40.632 90.886 1.00 0.00 H ATOM 10 HN2 ASP A 724 -0.794 40.867 91.686 1.00 0.00 H ATOM 11 HN1 ASP A 724 -2.124 41.860 92.051 1.00 0.00 H ATOM 12 N PRO A 725 -0.871 37.913 93.233 1.00140.57 N ATOM 13 CA PRO A 725 -0.319 36.592 92.873 1.00131.66 C ATOM 14 C PRO A 725 -1.264 35.398 93.132 1.00125.34 C ATOM 15 O PRO A 725 -1.332 34.493 92.309 1.00117.19 O ATOM 16 CB PRO A 725 0.958 36.495 93.725 1.00134.42 C ATOM 17 CG PRO A 725 0.733 37.402 94.888 1.00142.18 C ATOM 18 CD PRO A 725 -0.260 38.454 94.471 1.00145.41 C ATOM 19 N ASP A 726 -1.965 35.403 94.269 1.00127.87 N ATOM 20 CA ASP A 726 -2.940 34.344 94.612 1.00123.81 C ATOM 21 C ASP A 726 -4.285 34.496 93.933 1.00119.58 C ATOM 22 O ASP A 726 -5.087 33.556 93.933 1.00116.08 O ATOM 23 CB ASP A 726 -3.114 34.234 96.129 1.00129.83 C ATOM 24 CG ASP A 726 -1.897 33.635 96.801 1.00132.19 C ATOM 25 OD1 ASP A 726 -1.112 32.962 96.092 1.00127.92 O ATOM 26 OD2 ASP A 726 -1.716 33.840 98.022 1.00138.37 O ATOM 27 H ASP A 726 -1.820 36.183 94.941 1.00 0.00 H ATOM 28 N GLN A 727 -4.539 35.672 93.369 1.00119.12 N ATOM 29 CA GLN A 727 -5.620 35.823 92.411 1.00114.91 C ATOM 30 C GLN A 727 -5.291 34.974 91.187 1.00105.28 C ATOM 31 O GLN A 727 -6.071 34.099 90.794 1.00 98.94 O ATOM 32 CB GLN A 727 -5.792 37.298 92.014 1.00120.49 C ATOM 33 CG GLN A 727 -6.794 37.561 90.894 1.00120.46 C ATOM 34 CD GLN A 727 -8.090 36.775 91.055 1.00120.15 C ATOM 35 OE1 GLN A 727 -8.513 36.058 90.145 1.00115.03 O ATOM 36 NE2 GLN A 727 -8.715 36.894 92.224 1.00124.72 N ATOM 37 HE22 GLN A 727 -8.322 37.511 92.963 1.00 0.00 H ATOM 38 HE21 GLN A 727 -9.597 36.370 92.398 1.00 0.00 H ATOM 39 H GLN A 727 -3.955 36.496 93.617 1.00 0.00 H ATOM 40 N LEU A 728 -4.127 35.240 90.600 1.00101.74 N ATOM 41 CA LEU A 728 -3.667 34.526 89.410 1.00 95.05 C ATOM 42 C LEU A 728 -3.641 33.017 89.667 1.00 88.18 C ATOM 43 O LEU A 728 -4.214 32.233 88.899 1.00 83.74 O ATOM 44 CB LEU A 728 -2.269 35.027 89.005 1.00 97.34 C ATOM 45 CG LEU A 728 -1.581 34.423 87.771 1.00 94.25 C ATOM 46 CD1 LEU A 728 -2.385 34.653 86.501 1.00 92.37 C ATOM 47 CD2 LEU A 728 -0.185 34.999 87.617 1.00 96.62 C ATOM 48 H LEU A 728 -3.522 35.984 91.003 1.00 0.00 H ATOM 49 N TYR A 729 -3.002 32.633 90.767 1.00 85.95 N ATOM 50 CA TYR A 729 -2.871 31.232 91.154 1.00 82.21 C ATOM 51 C TYR A 729 -4.210 30.494 91.219 1.00 79.35 C ATOM 52 O TYR A 729 -4.340 29.404 90.680 1.00 76.36 O ATOM 53 CB TYR A 729 -2.173 31.127 92.511 1.00 85.72 C ATOM 54 CG TYR A 729 -1.902 29.702 92.934 1.00 83.57 C ATOM 55 CD1 TYR A 729 -0.823 29.002 92.410 1.00 80.96 C ATOM 56 CD2 TYR A 729 -2.729 29.051 93.850 1.00 84.48 C ATOM 57 CE1 TYR A 729 -0.567 27.696 92.791 1.00 79.81 C ATOM 58 CE2 TYR A 729 -2.482 27.738 94.237 1.00 83.17 C ATOM 59 CZ TYR A 729 -1.396 27.063 93.702 1.00 80.82 C ATOM 60 OH TYR A 729 -1.112 25.764 94.072 1.00 79.31 O ATOM 61 HH TYR A 729 -0.306 25.453 93.589 1.00 0.00 H ATOM 62 H TYR A 729 -2.578 33.361 91.377 1.00 0.00 H ATOM 63 N SER A 730 -5.189 31.090 91.896 1.00 81.38 N ATOM 64 CA SER A 730 -6.522 30.491 92.033 1.00 79.00 C ATOM 65 C SER A 730 -7.236 30.327 90.698 1.00 74.15 C ATOM 66 O SER A 730 -7.859 29.308 90.441 1.00 69.49 O ATOM 67 CB SER A 730 -7.385 31.347 92.959 1.00 85.45 C ATOM 68 OG SER A 730 -6.848 31.340 94.266 1.00 89.37 O ATOM 69 HG SER A 730 -5.929 31.707 94.246 1.00 0.00 H ATOM 70 H SER A 730 -5.003 32.011 92.343 1.00 0.00 H ATOM 71 N THR A 731 -7.118 31.343 89.855 1.00 74.72 N ATOM 72 CA THR A 731 -7.724 31.339 88.540 1.00 72.13 C ATOM 73 C THR A 731 -7.123 30.257 87.663 1.00 67.92 C ATOM 74 O THR A 731 -7.848 29.496 87.018 1.00 66.48 O ATOM 75 CB THR A 731 -7.536 32.713 87.861 1.00 74.94 C ATOM 76 OG1 THR A 731 -8.033 33.736 88.727 1.00 80.69 O ATOM 77 CG2 THR A 731 -8.287 32.793 86.564 1.00 74.24 C ATOM 78 HG1 THR A 731 -7.533 33.715 89.581 1.00 0.00 H ATOM 79 H THR A 731 -6.569 32.176 90.150 1.00 0.00 H ATOM 80 N LEU A 732 -5.790 30.187 87.644 1.00 68.13 N ATOM 81 CA LEU A 732 -5.053 29.192 86.833 1.00 63.27 C ATOM 82 C LEU A 732 -5.310 27.763 87.295 1.00 61.55 C ATOM 83 O LEU A 732 -5.477 26.868 86.476 1.00 59.91 O ATOM 84 CB LEU A 732 -3.555 29.467 86.887 1.00 63.61 C ATOM 85 CG LEU A 732 -3.070 30.757 86.237 1.00 65.87 C ATOM 86 CD1 LEU A 732 -1.552 30.831 86.301 1.00 67.37 C ATOM 87 CD2 LEU A 732 -3.544 30.857 84.800 1.00 63.48 C ATOM 88 H LEU A 732 -5.247 30.859 88.223 1.00 0.00 H ATOM 89 N LYS A 733 -5.327 27.567 88.611 1.00 64.01 N ATOM 90 CA LYS A 733 -5.719 26.295 89.219 1.00 63.66 C ATOM 91 C LYS A 733 -7.106 25.856 88.757 1.00 62.87 C ATOM 92 O LYS A 733 -7.288 24.727 88.292 1.00 57.89 O ATOM 93 CB LYS A 733 -5.692 26.424 90.741 1.00 67.84 C ATOM 94 CG LYS A 733 -5.938 25.126 91.483 1.00 68.63 C ATOM 95 CD LYS A 733 -5.551 25.241 92.948 1.00 73.00 C ATOM 96 CE LYS A 733 -6.134 24.094 93.758 1.00 75.93 C ATOM 97 NZ LYS A 733 -5.763 24.170 95.196 1.00 82.05 N ATOM 98 HZ1 LYS A 733 -4.728 24.135 95.288 1.00 0.00 H ATOM 99 HZ2 LYS A 733 -6.118 25.061 95.598 1.00 0.00 H ATOM 100 HZ3 LYS A 733 -6.184 23.367 95.704 1.00 0.00 H ATOM 101 H LYS A 733 -5.050 28.352 89.234 1.00 0.00 H ATOM 102 N SER A 734 -8.073 26.767 88.879 1.00 64.81 N ATOM 103 CA SER A 734 -9.433 26.505 88.448 1.00 63.72 C ATOM 104 C SER A 734 -9.457 26.137 86.970 1.00 59.62 C ATOM 105 O SER A 734 -10.023 25.110 86.590 1.00 57.98 O ATOM 106 CB SER A 734 -10.312 27.726 88.692 1.00 67.75 C ATOM 107 OG SER A 734 -11.605 27.544 88.142 1.00 68.79 O ATOM 108 HG SER A 734 -12.152 28.350 88.315 1.00 0.00 H ATOM 109 H SER A 734 -7.845 27.692 89.295 1.00 0.00 H ATOM 110 N ILE A 735 -8.830 26.961 86.141 1.00 58.29 N ATOM 111 CA ILE A 735 -8.811 26.695 84.712 1.00 57.48 C ATOM 112 C ILE A 735 -8.142 25.360 84.391 1.00 54.81 C ATOM 113 O ILE A 735 -8.698 24.552 83.640 1.00 55.04 O ATOM 114 CB ILE A 735 -8.106 27.810 83.912 1.00 58.80 C ATOM 115 CG1 ILE A 735 -8.959 29.080 83.919 1.00 63.78 C ATOM 116 CG2 ILE A 735 -7.887 27.369 82.463 1.00 56.75 C ATOM 117 CD1 ILE A 735 -8.186 30.354 83.621 1.00 66.71 C ATOM 118 H ILE A 735 -8.349 27.803 86.516 1.00 0.00 H ATOM 119 N LEU A 736 -6.962 25.129 84.956 1.00 52.81 N ATOM 120 CA LEU A 736 -6.223 23.902 84.680 1.00 51.78 C ATOM 121 C LEU A 736 -6.998 22.676 85.106 1.00 50.45 C ATOM 122 O LEU A 736 -7.031 21.675 84.396 1.00 50.31 O ATOM 123 CB LEU A 736 -4.862 23.903 85.391 1.00 52.91 C ATOM 124 CG LEU A 736 -3.973 22.674 85.142 1.00 51.48 C ATOM 125 CD1 LEU A 736 -3.775 22.394 83.655 1.00 48.96 C ATOM 126 CD2 LEU A 736 -2.639 22.871 85.844 1.00 54.44 C ATOM 127 H LEU A 736 -6.559 25.834 85.605 1.00 0.00 H ATOM 128 N GLN A 737 -7.605 22.752 86.279 1.00 51.93 N ATOM 129 CA GLN A 737 -8.397 21.645 86.775 1.00 53.49 C ATOM 130 C GLN A 737 -9.629 21.349 85.892 1.00 52.42 C ATOM 131 O GLN A 737 -9.957 20.185 85.631 1.00 51.77 O ATOM 132 CB GLN A 737 -8.687 21.812 88.252 1.00 56.91 C ATOM 133 CG GLN A 737 -7.448 21.669 89.097 1.00 56.75 C ATOM 134 CD GLN A 737 -7.769 21.781 90.559 1.00 60.34 C ATOM 135 OE1 GLN A 737 -8.802 22.343 90.937 1.00 63.49 O ATOM 136 NE2 GLN A 737 -6.917 21.220 91.397 1.00 62.17 N ATOM 137 HE22 GLN A 737 -6.059 20.757 91.034 1.00 0.00 H ATOM 138 HE21 GLN A 737 -7.104 21.241 92.420 1.00 0.00 H ATOM 139 H GLN A 737 -7.513 23.616 86.851 1.00 0.00 H ATOM 140 N GLN A 738 -10.232 22.384 85.340 1.00 52.19 N ATOM 141 CA GLN A 738 -11.361 22.176 84.437 1.00 53.00 C ATOM 142 C GLN A 738 -10.921 21.568 83.111 1.00 50.02 C ATOM 143 O GLN A 738 -11.619 20.722 82.549 1.00 51.75 O ATOM 144 CB GLN A 738 -12.099 23.469 84.201 1.00 52.98 C ATOM 145 CG GLN A 738 -12.804 23.952 85.433 1.00 56.55 C ATOM 146 CD GLN A 738 -13.587 25.217 85.180 1.00 57.85 C ATOM 147 OE1 GLN A 738 -14.625 25.185 84.532 1.00 56.81 O ATOM 148 NE2 GLN A 738 -13.063 26.338 85.643 1.00 59.99 N ATOM 149 HE22 GLN A 738 -12.178 26.312 86.189 1.00 0.00 H ATOM 150 HE21 GLN A 738 -13.535 27.247 85.462 1.00 0.00 H ATOM 151 H GLN A 738 -9.903 23.349 85.548 1.00 0.00 H ATOM 152 N VAL A 739 -9.765 22.001 82.624 1.00 49.31 N ATOM 153 CA VAL A 739 -9.139 21.407 81.423 1.00 47.56 C ATOM 154 C VAL A 739 -8.862 19.920 81.665 1.00 46.79 C ATOM 155 O VAL A 739 -9.254 19.073 80.870 1.00 46.92 O ATOM 156 CB VAL A 739 -7.842 22.173 81.020 1.00 47.41 C ATOM 157 CG1 VAL A 739 -7.043 21.422 79.949 1.00 45.39 C ATOM 158 CG2 VAL A 739 -8.186 23.571 80.513 1.00 49.53 C ATOM 159 H VAL A 739 -9.282 22.787 83.104 1.00 0.00 H ATOM 160 N LYS A 740 -8.237 19.607 82.793 1.00 46.85 N ATOM 161 CA LYS A 740 -7.932 18.214 83.128 1.00 47.23 C ATOM 162 C LYS A 740 -9.151 17.299 83.264 1.00 49.02 C ATOM 163 O LYS A 740 -9.062 16.118 82.956 1.00 48.44 O ATOM 164 CB LYS A 740 -7.099 18.163 84.390 1.00 49.07 C ATOM 165 CG LYS A 740 -5.685 18.653 84.157 1.00 47.95 C ATOM 166 CD LYS A 740 -4.938 18.792 85.452 1.00 50.62 C ATOM 167 CE LYS A 740 -4.566 17.447 86.016 1.00 52.43 C ATOM 168 NZ LYS A 740 -3.864 17.639 87.312 1.00 56.89 N ATOM 169 HZ1 LYS A 740 -3.005 18.204 87.159 1.00 0.00 H ATOM 170 HZ2 LYS A 740 -4.493 18.135 87.975 1.00 0.00 H ATOM 171 HZ3 LYS A 740 -3.605 16.712 87.705 1.00 0.00 H ATOM 172 H LYS A 740 -7.959 20.363 83.450 1.00 0.00 H ATOM 173 N SER A 741 -10.277 17.855 83.720 1.00 49.84 N ATOM 174 CA SER A 741 -11.524 17.102 83.873 1.00 52.46 C ATOM 175 C SER A 741 -12.329 16.974 82.589 1.00 50.86 C ATOM 176 O SER A 741 -13.324 16.250 82.553 1.00 53.21 O ATOM 177 CB SER A 741 -12.422 17.757 84.953 1.00 56.04 C ATOM 178 OG SER A 741 -11.844 17.644 86.250 1.00 56.73 O ATOM 179 HG SER A 741 -10.963 18.095 86.258 1.00 0.00 H ATOM 180 H SER A 741 -10.268 18.863 83.977 1.00 0.00 H ATOM 181 N HIS A 742 -11.954 17.730 81.570 1.00 49.43 N ATOM 182 CA HIS A 742 -12.635 17.691 80.296 1.00 48.86 C ATOM 183 C HIS A 742 -12.482 16.313 79.659 1.00 50.65 C ATOM 184 O HIS A 742 -11.461 15.662 79.791 1.00 49.45 O ATOM 185 CB HIS A 742 -12.073 18.762 79.361 1.00 47.71 C ATOM 186 CG HIS A 742 -12.960 19.074 78.193 1.00 46.81 C ATOM 187 ND1 HIS A 742 -12.928 18.357 77.023 1.00 47.50 N ATOM 188 CD2 HIS A 742 -13.891 20.035 78.013 1.00 46.99 C ATOM 189 CE1 HIS A 742 -13.797 18.858 76.166 1.00 48.28 C ATOM 190 NE2 HIS A 742 -14.398 19.876 76.743 1.00 48.26 N ATOM 191 H HIS A 742 -11.144 18.372 81.690 1.00 0.00 H ATOM 192 N GLN A 743 -13.514 15.895 78.944 1.00 54.34 N ATOM 193 CA GLN A 743 -13.587 14.554 78.356 1.00 57.92 C ATOM 194 C GLN A 743 -12.599 14.302 77.199 1.00 54.47 C ATOM 195 O GLN A 743 -12.476 13.195 76.741 1.00 56.06 O ATOM 196 CB GLN A 743 -15.038 14.246 77.918 1.00 64.96 C ATOM 197 CG GLN A 743 -15.630 15.221 76.884 1.00 70.10 C ATOM 198 CD GLN A 743 -16.370 16.476 77.442 1.00 73.15 C ATOM 199 OE1 GLN A 743 -16.025 17.063 78.503 1.00 69.42 O ATOM 200 NE2 GLN A 743 -17.334 16.943 76.657 1.00 77.07 N ATOM 201 HE22 GLN A 743 -17.591 16.431 75.789 1.00 0.00 H ATOM 202 HE21 GLN A 743 -17.831 17.820 76.910 1.00 0.00 H ATOM 203 H GLN A 743 -14.310 16.547 78.792 1.00 0.00 H ATOM 204 N SER A 744 -11.875 15.330 76.767 1.00 51.29 N ATOM 205 CA SER A 744 -10.914 15.236 75.660 1.00 50.33 C ATOM 206 C SER A 744 -9.477 15.449 76.169 1.00 46.24 C ATOM 207 O SER A 744 -8.554 15.507 75.381 1.00 47.44 O ATOM 208 CB SER A 744 -11.242 16.251 74.570 1.00 50.17 C ATOM 209 OG SER A 744 -12.535 16.032 74.050 1.00 55.33 O ATOM 210 HG SER A 744 -13.201 16.119 74.777 1.00 0.00 H ATOM 211 H SER A 744 -11.995 16.249 77.238 1.00 0.00 H ATOM 212 N ALA A 745 -9.311 15.508 77.492 1.00 44.44 N ATOM 213 CA ALA A 745 -8.042 15.764 78.119 1.00 42.91 C ATOM 214 C ALA A 745 -7.194 14.513 78.230 1.00 43.81 C ATOM 215 O ALA A 745 -5.980 14.604 78.373 1.00 43.42 O ATOM 216 CB ALA A 745 -8.265 16.367 79.494 1.00 43.96 C ATOM 217 H ALA A 745 -10.141 15.361 78.101 1.00 0.00 H ATOM 218 N TRP A 746 -7.830 13.357 78.181 1.00 45.42 N ATOM 219 CA TRP A 746 -7.166 12.078 78.470 1.00 47.63 C ATOM 220 C TRP A 746 -5.835 11.807 77.741 1.00 47.56 C ATOM 221 O TRP A 746 -4.921 11.277 78.352 1.00 51.49 O ATOM 222 CB TRP A 746 -8.151 10.903 78.309 1.00 50.30 C ATOM 223 CG TRP A 746 -8.726 10.752 76.927 1.00 51.42 C ATOM 224 CD1 TRP A 746 -9.847 11.337 76.444 1.00 50.82 C ATOM 225 CD2 TRP A 746 -8.177 9.983 75.852 1.00 52.72 C ATOM 226 NE1 TRP A 746 -10.042 10.984 75.140 1.00 53.53 N ATOM 227 CE2 TRP A 746 -9.030 10.153 74.748 1.00 54.18 C ATOM 228 CE3 TRP A 746 -7.044 9.158 75.717 1.00 54.19 C ATOM 229 CZ2 TRP A 746 -8.803 9.525 73.520 1.00 57.35 C ATOM 230 CZ3 TRP A 746 -6.808 8.544 74.497 1.00 55.85 C ATOM 231 CH2 TRP A 746 -7.685 8.726 73.413 1.00 57.73 C ATOM 232 HE1 TRP A 746 -10.833 11.297 74.541 1.00 0.00 H ATOM 233 H TRP A 746 -8.839 13.351 77.928 1.00 0.00 H ATOM 234 N PRO A 747 -5.693 12.222 76.463 1.00 48.44 N ATOM 235 CA PRO A 747 -4.371 12.042 75.837 1.00 48.36 C ATOM 236 C PRO A 747 -3.231 12.890 76.414 1.00 46.52 C ATOM 237 O PRO A 747 -2.069 12.616 76.120 1.00 46.63 O ATOM 238 CB PRO A 747 -4.608 12.465 74.363 1.00 48.56 C ATOM 239 CG PRO A 747 -6.081 12.564 74.201 1.00 48.93 C ATOM 240 CD PRO A 747 -6.587 12.963 75.555 1.00 48.70 C ATOM 241 N PHE A 748 -3.556 13.911 77.199 1.00 44.02 N ATOM 242 CA PHE A 748 -2.592 14.941 77.589 1.00 43.95 C ATOM 243 C PHE A 748 -2.282 14.945 79.075 1.00 44.34 C ATOM 244 O PHE A 748 -1.583 15.832 79.579 1.00 46.18 O ATOM 245 CB PHE A 748 -3.140 16.318 77.170 1.00 41.37 C ATOM 246 CG PHE A 748 -3.693 16.350 75.761 1.00 42.65 C ATOM 247 CD1 PHE A 748 -2.848 16.267 74.662 1.00 43.66 C ATOM 248 CD2 PHE A 748 -5.069 16.450 75.525 1.00 43.27 C ATOM 249 CE1 PHE A 748 -3.358 16.281 73.367 1.00 44.11 C ATOM 250 CE2 PHE A 748 -5.571 16.464 74.228 1.00 43.40 C ATOM 251 CZ PHE A 748 -4.717 16.371 73.154 1.00 43.23 C ATOM 252 H PHE A 748 -4.533 13.981 77.550 1.00 0.00 H ATOM 253 N MET A 749 -2.777 13.942 79.772 1.00 47.99 N ATOM 254 CA MET A 749 -2.739 13.930 81.222 1.00 49.31 C ATOM 255 C MET A 749 -1.346 13.676 81.773 1.00 50.71 C ATOM 256 O MET A 749 -1.002 14.181 82.842 1.00 50.70 O ATOM 257 CB MET A 749 -3.723 12.885 81.765 1.00 51.96 C ATOM 258 CG MET A 749 -5.182 13.215 81.514 1.00 53.44 C ATOM 259 SD MET A 749 -5.707 14.732 82.343 1.00 55.30 S ATOM 260 CE MET A 749 -5.711 14.184 84.051 1.00 55.65 C ATOM 261 H MET A 749 -3.206 13.139 79.270 1.00 0.00 H ATOM 262 N GLU A 750 -0.547 12.902 81.057 1.00 52.15 N ATOM 263 CA GLU A 750 0.766 12.513 81.557 1.00 58.07 C ATOM 264 C GLU A 750 1.823 12.576 80.482 1.00 55.35 C ATOM 265 O GLU A 750 1.489 12.525 79.307 1.00 54.33 O ATOM 266 CB GLU A 750 0.709 11.098 82.158 1.00 63.69 C ATOM 267 CG GLU A 750 0.163 11.089 83.576 1.00 69.78 C ATOM 268 CD GLU A 750 0.421 9.789 84.296 1.00 78.47 C ATOM 269 OE1 GLU A 750 0.737 8.786 83.622 1.00 83.83 O ATOM 270 OE2 GLU A 750 0.294 9.768 85.534 1.00 85.77 O ATOM 271 H GLU A 750 -0.860 12.566 80.124 1.00 0.00 H ATOM 272 N PRO A 751 3.112 12.659 80.889 1.00 55.00 N ATOM 273 CA PRO A 751 4.164 12.575 79.905 1.00 56.63 C ATOM 274 C PRO A 751 3.958 11.371 79.004 1.00 57.73 C ATOM 275 O PRO A 751 3.677 10.261 79.487 1.00 59.72 O ATOM 276 CB PRO A 751 5.442 12.422 80.752 1.00 58.58 C ATOM 277 CG PRO A 751 5.116 13.058 82.047 1.00 58.31 C ATOM 278 CD PRO A 751 3.661 12.744 82.260 1.00 57.88 C ATOM 279 N VAL A 752 4.066 11.602 77.704 1.00 57.73 N ATOM 280 CA VAL A 752 3.933 10.540 76.705 1.00 61.50 C ATOM 281 C VAL A 752 5.087 9.566 76.920 1.00 65.79 C ATOM 282 O VAL A 752 6.230 9.995 77.132 1.00 66.04 O ATOM 283 CB VAL A 752 4.002 11.116 75.263 1.00 63.07 C ATOM 284 CG1 VAL A 752 3.958 10.009 74.227 1.00 65.67 C ATOM 285 CG2 VAL A 752 2.878 12.130 75.021 1.00 61.96 C ATOM 286 H VAL A 752 4.252 12.573 77.381 1.00 0.00 H ATOM 287 N LYS A 753 4.778 8.267 76.894 1.00 70.17 N ATOM 288 CA LYS A 753 5.784 7.213 77.116 1.00 76.23 C ATOM 289 C LYS A 753 6.412 6.814 75.792 1.00 76.57 C ATOM 290 O LYS A 753 5.716 6.658 74.784 1.00 75.22 O ATOM 291 CB LYS A 753 5.158 5.958 77.740 1.00 80.32 C ATOM 292 CG LYS A 753 4.251 6.187 78.936 1.00 79.50 C ATOM 293 CD LYS A 753 3.544 4.889 79.312 1.00 83.48 C ATOM 294 CE LYS A 753 2.741 4.977 80.603 1.00 83.45 C ATOM 295 NZ LYS A 753 2.254 6.351 80.954 1.00 79.87 N ATOM 296 HZ1 LYS A 753 3.068 6.988 81.065 1.00 0.00 H ATOM 297 HZ2 LYS A 753 1.637 6.704 80.194 1.00 0.00 H ATOM 298 HZ3 LYS A 753 1.720 6.311 81.845 1.00 0.00 H ATOM 299 H LYS A 753 3.793 7.989 76.711 1.00 0.00 H ATOM 300 N ARG A 754 7.722 6.626 75.793 1.00 79.63 N ATOM 301 CA ARG A 754 8.412 6.190 74.579 1.00 82.56 C ATOM 302 C ARG A 754 7.925 4.831 74.073 1.00 83.99 C ATOM 303 O ARG A 754 7.987 4.571 72.875 1.00 85.28 O ATOM 304 CB ARG A 754 9.920 6.197 74.776 1.00 87.81 C ATOM 305 CG ARG A 754 10.438 5.360 75.938 1.00 93.80 C ATOM 306 CD ARG A 754 11.935 5.554 76.129 1.00 99.32 C ATOM 307 NE ARG A 754 12.240 6.952 76.444 1.00 98.89 N ATOM 308 CZ ARG A 754 13.297 7.642 76.020 1.00101.57 C ATOM 309 NH1 ARG A 754 14.230 7.088 75.247 1.00105.87 N ATOM 310 NH2 ARG A 754 13.419 8.922 76.385 1.00100.19 N ATOM 311 HE ARG A 754 11.566 7.453 77.058 1.00 0.00 H ATOM 312 HH12 ARG A 754 15.045 7.651 74.931 1.00 0.00 H ATOM 313 HH11 ARG A 754 14.143 6.092 74.960 1.00 0.00 H ATOM 314 HH22 ARG A 754 14.237 9.478 76.065 1.00 0.00 H ATOM 315 HH21 ARG A 754 12.696 9.362 76.989 1.00 0.00 H ATOM 316 H ARG A 754 8.266 6.790 76.664 1.00 0.00 H ATOM 317 N THR A 755 7.424 3.989 74.982 1.00 83.95 N ATOM 318 CA THR A 755 6.854 2.684 74.621 1.00 88.15 C ATOM 319 C THR A 755 5.612 2.800 73.749 1.00 86.23 C ATOM 320 O THR A 755 5.427 2.010 72.826 1.00 91.95 O ATOM 321 CB THR A 755 6.503 1.825 75.864 1.00 89.66 C ATOM 322 OG1 THR A 755 5.529 2.491 76.662 1.00 85.03 O ATOM 323 CG2 THR A 755 7.742 1.551 76.722 1.00 92.74 C ATOM 324 HG1 THR A 755 5.314 1.934 77.451 1.00 0.00 H ATOM 325 H THR A 755 7.438 4.268 75.984 1.00 0.00 H ATOM 326 N GLU A 756 4.787 3.804 74.025 1.00 83.55 N ATOM 327 CA GLU A 756 3.535 4.024 73.279 1.00 82.32 C ATOM 328 C GLU A 756 3.669 4.952 72.045 1.00 77.88 C ATOM 329 O GLU A 756 2.826 4.896 71.157 1.00 77.03 O ATOM 330 CB GLU A 756 2.396 4.486 74.231 1.00 81.26 C ATOM 331 CG GLU A 756 2.567 5.872 74.855 1.00 82.39 C ATOM 332 CD GLU A 756 1.595 6.182 76.010 1.00 83.47 C ATOM 333 OE1 GLU A 756 0.598 5.423 76.197 1.00 86.59 O ATOM 334 OE2 GLU A 756 1.833 7.209 76.721 1.00 78.20 O ATOM 335 H GLU A 756 5.033 4.458 74.795 1.00 0.00 H ATOM 336 N ALA A 757 4.734 5.757 71.969 1.00 75.36 N ATOM 337 CA ALA A 757 4.881 6.767 70.899 1.00 75.15 C ATOM 338 C ALA A 757 6.229 6.673 70.177 1.00 79.36 C ATOM 339 O ALA A 757 7.192 7.318 70.590 1.00 77.38 O ATOM 340 CB ALA A 757 4.698 8.163 71.469 1.00 70.93 C ATOM 341 H ALA A 757 5.483 5.670 72.685 1.00 0.00 H ATOM 342 N PRO A 758 6.299 5.868 69.089 1.00 85.25 N ATOM 343 CA PRO A 758 7.565 5.625 68.381 1.00 90.78 C ATOM 344 C PRO A 758 8.349 6.903 68.022 1.00 90.61 C ATOM 345 O PRO A 758 7.804 7.813 67.374 1.00 88.85 O ATOM 346 CB PRO A 758 7.117 4.868 67.121 1.00 94.43 C ATOM 347 CG PRO A 758 5.903 4.121 67.561 1.00 92.92 C ATOM 348 CD PRO A 758 5.214 5.006 68.565 1.00 87.04 C ATOM 349 N GLY A 759 9.605 6.969 68.484 1.00 91.41 N ATOM 350 CA GLY A 759 10.497 8.116 68.232 1.00 90.44 C ATOM 351 C GLY A 759 9.960 9.490 68.619 1.00 83.88 C ATOM 352 O GLY A 759 10.347 10.498 68.027 1.00 83.25 O ATOM 353 H GLY A 759 9.968 6.174 69.047 1.00 0.00 H ATOM 354 N TYR A 760 9.082 9.533 69.618 1.00 78.49 N ATOM 355 CA TYR A 760 8.449 10.785 70.032 1.00 72.83 C ATOM 356 C TYR A 760 9.485 11.797 70.495 1.00 73.09 C ATOM 357 O TYR A 760 9.446 12.962 70.080 1.00 72.49 O ATOM 358 CB TYR A 760 7.422 10.526 71.149 1.00 68.50 C ATOM 359 CG TYR A 760 6.594 11.736 71.550 1.00 62.77 C ATOM 360 CD1 TYR A 760 5.383 11.989 70.940 1.00 61.74 C ATOM 361 CD2 TYR A 760 7.028 12.624 72.545 1.00 60.54 C ATOM 362 CE1 TYR A 760 4.603 13.094 71.295 1.00 59.09 C ATOM 363 CE2 TYR A 760 6.255 13.738 72.915 1.00 58.09 C ATOM 364 CZ TYR A 760 5.041 13.975 72.284 1.00 56.71 C ATOM 365 OH TYR A 760 4.245 15.070 72.627 1.00 55.78 O ATOM 366 HH TYR A 760 3.426 15.068 72.071 1.00 0.00 H ATOM 367 H TYR A 760 8.840 8.654 70.117 1.00 0.00 H ATOM 368 N TYR A 761 10.413 11.355 71.339 1.00 75.61 N ATOM 369 CA TYR A 761 11.386 12.265 71.940 1.00 79.00 C ATOM 370 C TYR A 761 12.539 12.664 71.012 1.00 84.53 C ATOM 371 O TYR A 761 13.318 13.557 71.347 1.00 85.67 O ATOM 372 CB TYR A 761 11.864 11.721 73.294 1.00 81.06 C ATOM 373 CG TYR A 761 10.720 11.805 74.306 1.00 78.91 C ATOM 374 CD1 TYR A 761 10.451 12.996 74.994 1.00 75.43 C ATOM 375 CD2 TYR A 761 9.835 10.734 74.476 1.00 77.89 C ATOM 376 CE1 TYR A 761 9.381 13.090 75.864 1.00 72.71 C ATOM 377 CE2 TYR A 761 8.759 10.822 75.347 1.00 74.27 C ATOM 378 CZ TYR A 761 8.532 12.007 76.040 1.00 71.56 C ATOM 379 OH TYR A 761 7.460 12.145 76.901 1.00 63.34 O ATOM 380 HH TYR A 761 7.528 11.470 77.622 1.00 0.00 H ATOM 381 H TYR A 761 10.447 10.343 71.576 1.00 0.00 H ATOM 382 N GLU A 762 12.589 12.060 69.824 1.00 88.22 N ATOM 383 CA GLU A 762 13.458 12.539 68.742 1.00 94.76 C ATOM 384 C GLU A 762 12.823 13.750 68.037 1.00 93.42 C ATOM 385 O GLU A 762 13.523 14.675 67.647 1.00 96.69 O ATOM 386 CB GLU A 762 13.733 11.435 67.698 1.00100.81 C ATOM 387 CG GLU A 762 14.014 10.020 68.232 1.00104.09 C ATOM 388 CD GLU A 762 15.134 9.952 69.258 1.00107.04 C ATOM 389 OE1 GLU A 762 16.248 9.524 68.885 1.00116.63 O ATOM 390 OE2 GLU A 762 14.905 10.307 70.434 1.00104.53 O ATOM 391 H GLU A 762 11.994 11.223 69.659 1.00 0.00 H ATOM 392 N VAL A 763 11.496 13.735 67.889 1.00 90.65 N ATOM 393 CA VAL A 763 10.749 14.784 67.160 1.00 89.18 C ATOM 394 C VAL A 763 10.425 15.983 68.049 1.00 84.53 C ATOM 395 O VAL A 763 10.548 17.132 67.626 1.00 87.47 O ATOM 396 CB VAL A 763 9.396 14.246 66.614 1.00 88.19 C ATOM 397 CG1 VAL A 763 8.641 15.332 65.842 1.00 87.30 C ATOM 398 CG2 VAL A 763 9.619 13.030 65.723 1.00 93.21 C ATOM 399 H VAL A 763 10.961 12.947 68.307 1.00 0.00 H ATOM 400 N ILE A 764 9.988 15.700 69.269 1.00 77.39 N ATOM 401 CA ILE A 764 9.458 16.709 70.163 1.00 72.00 C ATOM 402 C ILE A 764 10.508 17.055 71.216 1.00 72.14 C ATOM 403 O ILE A 764 10.775 16.252 72.102 1.00 71.44 O ATOM 404 CB ILE A 764 8.168 16.178 70.822 1.00 67.31 C ATOM 405 CG1 ILE A 764 7.125 15.785 69.751 1.00 66.53 C ATOM 406 CG2 ILE A 764 7.583 17.182 71.800 1.00 65.03 C ATOM 407 CD1 ILE A 764 6.618 16.921 68.874 1.00 65.77 C ATOM 408 H ILE A 764 10.027 14.714 69.597 1.00 0.00 H ATOM 409 N ARG A 765 11.098 18.249 71.102 1.00 74.47 N ATOM 410 CA ARG A 765 12.179 18.683 71.997 1.00 78.99 C ATOM 411 C ARG A 765 11.685 19.291 73.297 1.00 73.75 C ATOM 412 O ARG A 765 12.388 19.247 74.301 1.00 72.71 O ATOM 413 CB ARG A 765 13.121 19.684 71.295 1.00 86.95 C ATOM 414 CG ARG A 765 13.884 19.142 70.084 1.00 95.50 C ATOM 415 CD ARG A 765 14.452 17.744 70.298 1.00100.36 C ATOM 416 NE ARG A 765 15.196 17.280 69.128 1.00111.05 N ATOM 417 CZ ARG A 765 15.830 16.106 69.044 1.00117.28 C ATOM 418 NH1 ARG A 765 15.814 15.247 70.066 1.00118.06 N ATOM 419 NH2 ARG A 765 16.479 15.780 67.925 1.00122.85 N ATOM 420 HE ARG A 765 15.235 17.909 68.301 1.00 0.00 H ATOM 421 HH12 ARG A 765 16.311 14.337 69.988 1.00 0.00 H ATOM 422 HH11 ARG A 765 15.304 15.488 70.940 1.00 0.00 H ATOM 423 HH22 ARG A 765 16.973 14.867 67.857 1.00 0.00 H ATOM 424 HH21 ARG A 765 16.491 16.439 67.120 1.00 0.00 H ATOM 425 H ARG A 765 10.780 18.895 70.352 1.00 0.00 H ATOM 426 N PHE A 766 10.480 19.858 73.281 1.00 70.86 N ATOM 427 CA PHE A 766 9.914 20.495 74.464 1.00 67.97 C ATOM 428 C PHE A 766 8.606 19.807 74.858 1.00 64.71 C ATOM 429 O PHE A 766 7.521 20.379 74.706 1.00 63.47 O ATOM 430 CB PHE A 766 9.710 21.995 74.202 1.00 68.29 C ATOM 431 CG PHE A 766 10.955 22.715 73.771 1.00 71.66 C ATOM 432 CD1 PHE A 766 11.903 23.156 74.701 1.00 74.72 C ATOM 433 CD2 PHE A 766 11.185 22.954 72.426 1.00 74.24 C ATOM 434 CE1 PHE A 766 13.049 23.832 74.282 1.00 79.21 C ATOM 435 CE2 PHE A 766 12.334 23.615 71.996 1.00 79.14 C ATOM 436 CZ PHE A 766 13.268 24.054 72.925 1.00 81.51 C ATOM 437 H PHE A 766 9.927 19.846 72.400 1.00 0.00 H ATOM 438 N PRO A 767 8.693 18.558 75.368 1.00 64.08 N ATOM 439 CA PRO A 767 7.460 17.824 75.752 1.00 59.36 C ATOM 440 C PRO A 767 6.719 18.492 76.908 1.00 56.67 C ATOM 441 O PRO A 767 7.360 19.092 77.786 1.00 58.32 O ATOM 442 CB PRO A 767 7.994 16.462 76.183 1.00 62.35 C ATOM 443 CG PRO A 767 9.418 16.737 76.620 1.00 64.81 C ATOM 444 CD PRO A 767 9.909 17.775 75.673 1.00 65.73 C ATOM 445 N MET A 768 5.389 18.408 76.896 1.00 51.98 N ATOM 446 CA MET A 768 4.561 19.016 77.943 1.00 50.06 C ATOM 447 C MET A 768 3.273 18.234 78.135 1.00 47.86 C ATOM 448 O MET A 768 2.736 17.631 77.197 1.00 47.44 O ATOM 449 CB MET A 768 4.224 20.496 77.633 1.00 50.22 C ATOM 450 CG MET A 768 3.553 21.278 78.781 1.00 48.27 C ATOM 451 SD MET A 768 4.350 21.136 80.391 1.00 48.89 S ATOM 452 CE MET A 768 6.040 21.523 79.956 1.00 52.20 C ATOM 453 H MET A 768 4.924 17.895 76.120 1.00 0.00 H ATOM 454 N ASP A 769 2.773 18.260 79.358 1.00 47.22 N ATOM 455 CA ASP A 769 1.543 17.576 79.686 1.00 46.42 C ATOM 456 C ASP A 769 0.901 18.223 80.900 1.00 45.60 C ATOM 457 O ASP A 769 1.540 18.985 81.628 1.00 45.41 O ATOM 458 CB ASP A 769 1.860 16.116 79.973 1.00 46.67 C ATOM 459 CG ASP A 769 2.727 15.962 81.166 1.00 47.33 C ATOM 460 OD1 ASP A 769 3.947 16.089 81.054 1.00 46.06 O ATOM 461 OD2 ASP A 769 2.168 15.746 82.248 1.00 50.96 O ATOM 462 H ASP A 769 3.276 18.785 80.102 1.00 0.00 H ATOM 463 N LEU A 770 -0.334 17.828 81.171 1.00 45.40 N ATOM 464 CA LEU A 770 -1.123 18.452 82.232 1.00 45.15 C ATOM 465 C LEU A 770 -0.638 18.094 83.633 1.00 47.74 C ATOM 466 O LEU A 770 -0.814 18.883 84.565 1.00 50.26 O ATOM 467 CB LEU A 770 -2.595 18.091 82.055 1.00 45.71 C ATOM 468 CG LEU A 770 -3.164 18.570 80.701 1.00 47.69 C ATOM 469 CD1 LEU A 770 -4.545 18.014 80.412 1.00 47.29 C ATOM 470 CD2 LEU A 770 -3.174 20.110 80.629 1.00 49.46 C ATOM 471 H LEU A 770 -0.753 17.055 80.615 1.00 0.00 H ATOM 472 N LYS A 771 -0.062 16.897 83.811 1.00 48.84 N ATOM 473 CA LYS A 771 0.531 16.564 85.096 1.00 50.74 C ATOM 474 C LYS A 771 1.647 17.543 85.391 1.00 51.69 C ATOM 475 O LYS A 771 1.674 18.163 86.449 1.00 53.55 O ATOM 476 CB LYS A 771 1.039 15.132 85.152 1.00 53.67 C ATOM 477 CG LYS A 771 1.487 14.705 86.548 1.00 58.87 C ATOM 478 CD LYS A 771 2.168 13.341 86.508 1.00 65.59 C ATOM 479 CE LYS A 771 2.099 12.624 87.856 1.00 71.04 C ATOM 480 NZ LYS A 771 2.583 11.212 87.762 1.00 76.28 N ATOM 481 HZ1 LYS A 771 1.993 10.689 87.084 1.00 0.00 H ATOM 482 HZ2 LYS A 771 3.572 11.206 87.440 1.00 0.00 H ATOM 483 HZ3 LYS A 771 2.520 10.762 88.697 1.00 0.00 H ATOM 484 H LYS A 771 -0.039 16.208 83.032 1.00 0.00 H ATOM 485 N THR A 772 2.572 17.653 84.448 1.00 50.41 N ATOM 486 CA THR A 772 3.724 18.533 84.559 1.00 50.52 C ATOM 487 C THR A 772 3.288 19.964 84.785 1.00 52.70 C ATOM 488 O THR A 772 3.915 20.673 85.558 1.00 56.49 O ATOM 489 CB THR A 772 4.578 18.466 83.289 1.00 49.06 C ATOM 490 OG1 THR A 772 5.024 17.114 83.075 1.00 49.71 O ATOM 491 CG2 THR A 772 5.770 19.387 83.388 1.00 51.06 C ATOM 492 HG1 THR A 772 4.238 16.520 82.974 1.00 0.00 H ATOM 493 H THR A 772 2.469 17.081 83.585 1.00 0.00 H ATOM 494 N MET A 773 2.210 20.377 84.122 1.00 50.75 N ATOM 495 CA MET A 773 1.660 21.722 84.316 1.00 52.32 C ATOM 496 C MET A 773 1.102 21.901 85.726 1.00 53.88 C ATOM 497 O MET A 773 1.301 22.947 86.328 1.00 57.32 O ATOM 498 CB MET A 773 0.568 22.027 83.288 1.00 51.47 C ATOM 499 CG MET A 773 1.102 22.263 81.886 1.00 50.98 C ATOM 500 SD MET A 773 -0.054 23.117 80.795 1.00 50.79 S ATOM 501 CE MET A 773 -0.343 24.651 81.680 1.00 52.84 C ATOM 502 H MET A 773 1.747 19.731 83.451 1.00 0.00 H ATOM 503 N SER A 774 0.418 20.878 86.249 1.00 53.09 N ATOM 504 CA SER A 774 -0.031 20.881 87.661 1.00 54.50 C ATOM 505 C SER A 774 1.124 21.088 88.638 1.00 57.40 C ATOM 506 O SER A 774 0.991 21.832 89.619 1.00 59.47 O ATOM 507 CB SER A 774 -0.783 19.592 88.022 1.00 52.66 C ATOM 508 OG SER A 774 -1.872 19.392 87.151 1.00 52.26 O ATOM 509 HG SER A 774 -1.540 19.320 86.221 1.00 0.00 H ATOM 510 H SER A 774 0.195 20.058 85.649 1.00 0.00 H ATOM 511 N GLU A 775 2.259 20.442 88.363 1.00 56.86 N ATOM 512 CA GLU A 775 3.412 20.545 89.248 1.00 59.62 C ATOM 513 C GLU A 775 4.013 21.919 89.183 1.00 60.93 C ATOM 514 O GLU A 775 4.251 22.535 90.218 1.00 64.33 O ATOM 515 CB GLU A 775 4.441 19.491 88.911 1.00 59.96 C ATOM 516 CG GLU A 775 3.879 18.091 89.296 1.00 60.78 C ATOM 517 CD GLU A 775 3.725 17.906 90.821 1.00 63.96 C ATOM 518 OE1 GLU A 775 4.451 18.520 91.627 1.00 69.69 O ATOM 519 OE2 GLU A 775 2.849 17.160 91.236 1.00 66.70 O ATOM 520 H GLU A 775 2.321 19.857 87.505 1.00 0.00 H ATOM 521 N ARG A 776 4.211 22.409 87.966 1.00 58.45 N ATOM 522 CA ARG A 776 4.694 23.761 87.744 1.00 60.31 C ATOM 523 C ARG A 776 3.828 24.797 88.422 1.00 63.48 C ATOM 524 O ARG A 776 4.340 25.738 89.026 1.00 67.41 O ATOM 525 CB ARG A 776 4.781 24.051 86.262 1.00 58.27 C ATOM 526 CG ARG A 776 5.920 23.301 85.605 1.00 57.52 C ATOM 527 CD ARG A 776 5.994 23.580 84.125 1.00 56.73 C ATOM 528 NE ARG A 776 7.260 23.121 83.557 1.00 56.78 N ATOM 529 CZ ARG A 776 7.837 23.632 82.469 1.00 57.78 C ATOM 530 NH1 ARG A 776 7.276 24.637 81.801 1.00 58.59 N ATOM 531 NH2 ARG A 776 9.001 23.156 82.062 1.00 59.05 N ATOM 532 HE ARG A 776 7.747 22.338 84.037 1.00 0.00 H ATOM 533 HH12 ARG A 776 7.741 25.022 80.954 1.00 0.00 H ATOM 534 HH11 ARG A 776 6.373 25.037 82.126 1.00 0.00 H ATOM 535 HH22 ARG A 776 9.456 23.550 81.214 1.00 0.00 H ATOM 536 HH21 ARG A 776 9.462 22.387 82.590 1.00 0.00 H ATOM 537 H ARG A 776 4.014 21.805 87.143 1.00 0.00 H ATOM 538 N LEU A 777 2.518 24.601 88.356 1.00 64.99 N ATOM 539 CA LEU A 777 1.584 25.466 89.065 1.00 68.53 C ATOM 540 C LEU A 777 1.818 25.408 90.571 1.00 72.30 C ATOM 541 O LEU A 777 2.013 26.439 91.199 1.00 76.30 O ATOM 542 CB LEU A 777 0.137 25.083 88.743 1.00 67.41 C ATOM 543 CG LEU A 777 -0.943 25.979 89.352 1.00 69.20 C ATOM 544 CD1 LEU A 777 -0.941 27.343 88.687 1.00 70.46 C ATOM 545 CD2 LEU A 777 -2.300 25.334 89.204 1.00 68.81 C ATOM 546 H LEU A 777 2.149 23.813 87.786 1.00 0.00 H ATOM 547 N LYS A 778 1.808 24.200 91.128 1.00 73.08 N ATOM 548 CA LYS A 778 2.097 23.971 92.553 1.00 77.84 C ATOM 549 C LYS A 778 3.451 24.567 92.958 1.00 79.20 C ATOM 550 O LYS A 778 3.583 25.199 94.008 1.00 82.84 O ATOM 551 CB LYS A 778 2.024 22.452 92.873 1.00 81.03 C ATOM 552 CG LYS A 778 0.618 21.976 93.237 1.00 84.71 C ATOM 553 CD LYS A 778 0.539 20.478 93.448 1.00 87.86 C ATOM 554 CE LYS A 778 1.600 19.965 94.420 1.00 93.92 C ATOM 555 NZ LYS A 778 1.178 18.701 95.090 1.00 99.22 N ATOM 556 HZ1 LYS A 778 0.301 18.869 95.624 1.00 0.00 H ATOM 557 HZ2 LYS A 778 1.013 17.968 94.371 1.00 0.00 H ATOM 558 HZ3 LYS A 778 1.927 18.388 95.741 1.00 0.00 H ATOM 559 H LYS A 778 1.586 23.379 90.529 1.00 0.00 H ATOM 560 N ASN A 779 4.426 24.435 92.074 1.00 76.60 N ATOM 561 CA ASN A 779 5.758 25.005 92.274 1.00 78.98 C ATOM 562 C ASN A 779 5.866 26.522 92.039 1.00 80.33 C ATOM 563 O ASN A 779 6.979 27.066 92.019 1.00 80.97 O ATOM 564 CB ASN A 779 6.769 24.257 91.385 1.00 77.21 C ATOM 565 CG ASN A 779 6.929 22.799 91.792 1.00 76.51 C ATOM 566 OD1 ASN A 779 6.581 22.417 92.908 1.00 77.48 O ATOM 567 ND2 ASN A 779 7.443 21.979 90.884 1.00 73.68 N ATOM 568 HD22 ASN A 779 7.724 22.345 89.952 1.00 0.00 H ATOM 569 HD21 ASN A 779 7.565 20.970 91.104 1.00 0.00 H ATOM 570 H ASN A 779 4.238 23.904 91.200 1.00 0.00 H ATOM 571 N ARG A 780 4.726 27.200 91.871 1.00 79.99 N ATOM 572 CA ARG A 780 4.680 28.660 91.724 1.00 83.79 C ATOM 573 C ARG A 780 5.465 29.170 90.524 1.00 81.56 C ATOM 574 O ARG A 780 6.044 30.250 90.555 1.00 85.61 O ATOM 575 CB ARG A 780 5.127 29.358 93.026 1.00 90.92 C ATOM 576 CG ARG A 780 4.236 29.071 94.224 1.00 95.07 C ATOM 577 CD ARG A 780 2.777 29.323 93.881 1.00 96.35 C ATOM 578 NE ARG A 780 1.948 29.450 95.072 1.00101.43 N ATOM 579 CZ ARG A 780 1.219 30.518 95.397 1.00106.57 C ATOM 580 NH1 ARG A 780 0.503 30.491 96.515 1.00110.82 N ATOM 581 NH2 ARG A 780 1.182 31.604 94.625 1.00107.17 N ATOM 582 HE ARG A 780 1.923 28.640 95.723 1.00 0.00 H ATOM 583 HH12 ARG A 780 -0.072 31.315 96.785 1.00 0.00 H ATOM 584 HH11 ARG A 780 0.517 29.646 97.121 1.00 0.00 H ATOM 585 HH22 ARG A 780 0.604 32.422 94.905 1.00 0.00 H ATOM 586 HH21 ARG A 780 1.731 31.634 93.742 1.00 0.00 H ATOM 587 H ARG A 780 3.832 26.669 91.843 1.00 0.00 H ATOM 588 N TYR A 781 5.464 28.386 89.459 1.00 76.52 N ATOM 589 CA TYR A 781 6.147 28.760 88.234 1.00 75.06 C ATOM 590 C TYR A 781 5.319 29.738 87.413 1.00 76.21 C ATOM 591 O TYR A 781 5.881 30.619 86.762 1.00 79.79 O ATOM 592 CB TYR A 781 6.463 27.512 87.415 1.00 70.15 C ATOM 593 CG TYR A 781 6.998 27.775 86.037 1.00 67.78 C ATOM 594 CD1 TYR A 781 8.300 28.240 85.840 1.00 70.02 C ATOM 595 CD2 TYR A 781 6.219 27.523 84.923 1.00 65.08 C ATOM 596 CE1 TYR A 781 8.802 28.460 84.557 1.00 69.56 C ATOM 597 CE2 TYR A 781 6.705 27.733 83.640 1.00 64.99 C ATOM 598 CZ TYR A 781 7.994 28.202 83.456 1.00 67.17 C ATOM 599 OH TYR A 781 8.461 28.389 82.175 1.00 66.34 O ATOM 600 HH TYR A 781 9.392 28.725 82.210 1.00 0.00 H ATOM 601 H TYR A 781 4.960 27.477 89.500 1.00 0.00 H ATOM 602 N TYR A 782 3.991 29.582 87.426 1.00 74.81 N ATOM 603 CA TYR A 782 3.119 30.394 86.566 1.00 74.23 C ATOM 604 C TYR A 782 2.809 31.753 87.194 1.00 78.36 C ATOM 605 O TYR A 782 1.710 31.983 87.720 1.00 77.74 O ATOM 606 CB TYR A 782 1.835 29.633 86.203 1.00 71.38 C ATOM 607 CG TYR A 782 2.091 28.374 85.404 1.00 66.74 C ATOM 608 CD1 TYR A 782 2.786 28.425 84.196 1.00 66.64 C ATOM 609 CD2 TYR A 782 1.657 27.132 85.853 1.00 64.66 C ATOM 610 CE1 TYR A 782 3.057 27.272 83.468 1.00 62.46 C ATOM 611 CE2 TYR A 782 1.902 25.978 85.118 1.00 61.78 C ATOM 612 CZ TYR A 782 2.608 26.054 83.931 1.00 60.12 C ATOM 613 OH TYR A 782 2.847 24.919 83.209 1.00 57.42 O ATOM 614 HH TYR A 782 3.360 25.149 82.394 1.00 0.00 H ATOM 615 H TYR A 782 3.567 28.872 88.057 1.00 0.00 H ATOM 616 N VAL A 783 3.811 32.638 87.137 1.00 82.07 N ATOM 617 CA VAL A 783 3.721 34.014 87.666 1.00 87.00 C ATOM 618 C VAL A 783 3.050 34.992 86.684 1.00 87.15 C ATOM 619 O VAL A 783 2.741 36.131 87.061 1.00 90.86 O ATOM 620 CB VAL A 783 5.111 34.580 88.089 1.00 91.33 C ATOM 621 CG1 VAL A 783 5.727 33.722 89.190 1.00 91.62 C ATOM 622 CG2 VAL A 783 6.073 34.710 86.903 1.00 90.73 C ATOM 623 H VAL A 783 4.704 32.340 86.695 1.00 0.00 H ATOM 624 N SER A 784 2.843 34.541 85.439 1.00 83.15 N ATOM 625 CA SER A 784 2.083 35.283 84.431 1.00 83.77 C ATOM 626 C SER A 784 1.200 34.366 83.563 1.00 81.06 C ATOM 627 O SER A 784 1.544 33.195 83.323 1.00 76.75 O ATOM 628 CB SER A 784 3.044 36.034 83.525 1.00 85.35 C ATOM 629 OG SER A 784 3.775 35.138 82.707 1.00 80.44 O ATOM 630 HG SER A 784 3.147 34.619 82.144 1.00 0.00 H ATOM 631 H SER A 784 3.242 33.618 85.176 1.00 0.00 H ATOM 632 N LYS A 785 0.057 34.908 83.127 1.00 84.14 N ATOM 633 CA LYS A 785 -0.784 34.306 82.060 1.00 82.40 C ATOM 634 C LYS A 785 0.069 33.725 80.938 1.00 80.98 C ATOM 635 O LYS A 785 -0.072 32.555 80.593 1.00 77.82 O ATOM 636 CB LYS A 785 -1.811 35.334 81.474 1.00 86.53 C ATOM 637 CG LYS A 785 -2.120 35.164 79.965 1.00 86.25 C ATOM 638 CD LYS A 785 -3.284 35.980 79.417 1.00 88.70 C ATOM 639 CE LYS A 785 -3.426 35.717 77.922 1.00 87.81 C ATOM 640 NZ LYS A 785 -4.739 36.154 77.372 1.00 87.71 N ATOM 641 HZ1 LYS A 785 -5.504 35.642 77.856 1.00 0.00 H ATOM 642 HZ2 LYS A 785 -4.854 37.176 77.524 1.00 0.00 H ATOM 643 HZ3 LYS A 785 -4.773 35.948 76.353 1.00 0.00 H ATOM 644 H LYS A 785 -0.260 35.799 83.559 1.00 0.00 H ATOM 645 N LYS A 786 0.967 34.555 80.407 1.00 83.76 N ATOM 646 CA LYS A 786 1.788 34.229 79.226 1.00 82.76 C ATOM 647 C LYS A 786 2.552 32.893 79.356 1.00 77.29 C ATOM 648 O LYS A 786 2.618 32.122 78.395 1.00 74.48 O ATOM 649 CB LYS A 786 2.756 35.390 78.914 1.00 88.56 C ATOM 650 CG LYS A 786 2.027 36.708 78.625 1.00 94.71 C ATOM 651 CD LYS A 786 2.971 37.899 78.634 1.00100.05 C ATOM 652 CE LYS A 786 2.199 39.212 78.606 1.00104.82 C ATOM 653 NZ LYS A 786 3.095 40.388 78.421 1.00109.58 N ATOM 654 HZ1 LYS A 786 3.776 40.430 79.206 1.00 0.00 H ATOM 655 HZ2 LYS A 786 3.607 40.294 77.520 1.00 0.00 H ATOM 656 HZ3 LYS A 786 2.525 41.258 78.408 1.00 0.00 H ATOM 657 H LYS A 786 1.096 35.486 80.851 1.00 0.00 H ATOM 658 N LEU A 787 3.079 32.617 80.551 1.00 75.40 N ATOM 659 CA LEU A 787 3.804 31.365 80.826 1.00 73.79 C ATOM 660 C LEU A 787 2.889 30.152 80.810 1.00 67.06 C ATOM 661 O LEU A 787 3.231 29.133 80.231 1.00 62.32 O ATOM 662 CB LEU A 787 4.520 31.423 82.181 1.00 76.40 C ATOM 663 CG LEU A 787 5.761 32.317 82.245 1.00 81.41 C ATOM 664 CD1 LEU A 787 6.172 32.537 83.693 1.00 83.08 C ATOM 665 CD2 LEU A 787 6.910 31.720 81.439 1.00 81.23 C ATOM 666 H LEU A 787 2.974 33.313 81.317 1.00 0.00 H ATOM 667 N PHE A 788 1.763 30.275 81.508 1.00 65.98 N ATOM 668 CA PHE A 788 0.714 29.267 81.527 1.00 64.06 C ATOM 669 C PHE A 788 0.192 28.956 80.127 1.00 62.88 C ATOM 670 O PHE A 788 0.087 27.792 79.750 1.00 63.94 O ATOM 671 CB PHE A 788 -0.437 29.733 82.428 1.00 65.98 C ATOM 672 CG PHE A 788 -1.503 28.695 82.649 1.00 63.79 C ATOM 673 CD1 PHE A 788 -1.346 27.712 83.617 1.00 63.71 C ATOM 674 CD2 PHE A 788 -2.677 28.716 81.909 1.00 63.30 C ATOM 675 CE1 PHE A 788 -2.336 26.762 83.831 1.00 62.08 C ATOM 676 CE2 PHE A 788 -3.673 27.769 82.121 1.00 61.49 C ATOM 677 CZ PHE A 788 -3.498 26.792 83.082 1.00 60.41 C ATOM 678 H PHE A 788 1.625 31.139 82.071 1.00 0.00 H ATOM 679 N MET A 789 -0.098 29.990 79.349 1.00 64.20 N ATOM 680 CA MET A 789 -0.593 29.802 77.991 1.00 64.06 C ATOM 681 C MET A 789 0.443 29.063 77.179 1.00 62.28 C ATOM 682 O MET A 789 0.108 28.182 76.407 1.00 60.43 O ATOM 683 CB MET A 789 -0.847 31.130 77.273 1.00 72.22 C ATOM 684 CG MET A 789 -1.749 32.135 77.984 1.00 76.71 C ATOM 685 SD MET A 789 -3.501 31.947 77.618 1.00 78.05 S ATOM 686 CE MET A 789 -3.578 32.040 75.830 1.00 78.05 C ATOM 687 H MET A 789 0.030 30.955 79.715 1.00 0.00 H ATOM 688 N ALA A 790 1.703 29.454 77.340 1.00 61.94 N ATOM 689 CA ALA A 790 2.786 28.908 76.529 1.00 61.94 C ATOM 690 C ALA A 790 2.900 27.390 76.688 1.00 57.54 C ATOM 691 O ALA A 790 2.947 26.662 75.698 1.00 55.66 O ATOM 692 CB ALA A 790 4.101 29.591 76.873 1.00 64.52 C ATOM 693 H ALA A 790 1.923 30.168 78.063 1.00 0.00 H ATOM 694 N ASP A 791 2.883 26.928 77.938 1.00 55.81 N ATOM 695 CA ASP A 791 2.919 25.485 78.248 1.00 53.21 C ATOM 696 C ASP A 791 1.698 24.755 77.732 1.00 52.71 C ATOM 697 O ASP A 791 1.814 23.687 77.158 1.00 52.74 O ATOM 698 CB ASP A 791 3.049 25.257 79.749 1.00 52.21 C ATOM 699 CG ASP A 791 4.472 25.484 80.261 1.00 54.25 C ATOM 700 OD1 ASP A 791 5.397 25.691 79.443 1.00 52.58 O ATOM 701 OD2 ASP A 791 4.668 25.430 81.495 1.00 53.98 O ATOM 702 H ASP A 791 2.843 27.609 78.723 1.00 0.00 H ATOM 703 N LEU A 792 0.522 25.342 77.913 1.00 53.90 N ATOM 704 CA LEU A 792 -0.690 24.700 77.443 1.00 52.42 C ATOM 705 C LEU A 792 -0.721 24.653 75.929 1.00 50.99 C ATOM 706 O LEU A 792 -1.126 23.643 75.376 1.00 51.68 O ATOM 707 CB LEU A 792 -1.953 25.359 78.034 1.00 53.88 C ATOM 708 CG LEU A 792 -3.305 24.604 78.032 1.00 51.63 C ATOM 709 CD1 LEU A 792 -3.173 23.108 78.062 1.00 49.17 C ATOM 710 CD2 LEU A 792 -4.148 25.044 79.228 1.00 52.96 C ATOM 711 H LEU A 792 0.470 26.263 78.392 1.00 0.00 H ATOM 712 N GLN A 793 -0.332 25.740 75.258 1.00 51.19 N ATOM 713 CA GLN A 793 -0.246 25.718 73.770 1.00 51.82 C ATOM 714 C GLN A 793 0.770 24.704 73.324 1.00 50.13 C ATOM 715 O GLN A 793 0.570 24.062 72.342 1.00 53.29 O ATOM 716 CB GLN A 793 0.148 27.033 73.064 1.00 55.64 C ATOM 717 CG GLN A 793 -0.770 28.237 73.264 1.00 57.88 C ATOM 718 CD GLN A 793 -2.226 27.850 73.507 1.00 55.69 C ATOM 719 OE1 GLN A 793 -2.712 27.957 74.621 1.00 54.70 O ATOM 720 NE2 GLN A 793 -2.920 27.404 72.459 1.00 55.19 N ATOM 721 HE22 GLN A 793 -2.464 27.329 71.527 1.00 0.00 H ATOM 722 HE21 GLN A 793 -3.917 27.131 72.574 1.00 0.00 H ATOM 723 H GLN A 793 -0.087 26.608 75.777 1.00 0.00 H ATOM 724 N ARG A 794 1.869 24.563 74.055 1.00 49.57 N ATOM 725 CA ARG A 794 2.901 23.557 73.718 1.00 50.95 C ATOM 726 C ARG A 794 2.333 22.144 73.726 1.00 49.82 C ATOM 727 O ARG A 794 2.691 21.330 72.881 1.00 50.63 O ATOM 728 CB ARG A 794 4.058 23.613 74.707 1.00 53.33 C ATOM 729 CG ARG A 794 5.209 22.598 74.499 1.00 55.90 C ATOM 730 CD ARG A 794 6.036 22.800 73.245 1.00 58.51 C ATOM 731 NE ARG A 794 6.790 24.036 73.302 1.00 62.42 N ATOM 732 CZ ARG A 794 7.409 24.583 72.261 1.00 64.09 C ATOM 733 NH1 ARG A 794 7.351 24.028 71.044 1.00 63.40 N ATOM 734 NH2 ARG A 794 8.085 25.699 72.439 1.00 66.62 N ATOM 735 HE ARG A 794 6.851 24.527 74.217 1.00 0.00 H ATOM 736 HH12 ARG A 794 7.844 24.475 70.245 1.00 0.00 H ATOM 737 HH11 ARG A 794 6.813 23.150 70.898 1.00 0.00 H ATOM 738 HH22 ARG A 794 8.576 26.143 71.637 1.00 0.00 H ATOM 739 HH21 ARG A 794 8.127 26.137 73.382 1.00 0.00 H ATOM 740 H ARG A 794 2.008 25.174 74.885 1.00 0.00 H ATOM 741 N VAL A 795 1.440 21.861 74.682 1.00 47.27 N ATOM 742 CA VAL A 795 0.751 20.580 74.722 1.00 45.41 C ATOM 743 C VAL A 795 0.083 20.343 73.369 1.00 45.60 C ATOM 744 O VAL A 795 0.194 19.259 72.799 1.00 43.61 O ATOM 745 CB VAL A 795 -0.300 20.492 75.872 1.00 43.88 C ATOM 746 CG1 VAL A 795 -1.138 19.235 75.762 1.00 42.37 C ATOM 747 CG2 VAL A 795 0.364 20.550 77.237 1.00 44.90 C ATOM 748 H VAL A 795 1.234 22.572 75.412 1.00 0.00 H ATOM 749 N PHE A 796 -0.602 21.362 72.859 1.00 47.90 N ATOM 750 CA PHE A 796 -1.400 21.212 71.645 1.00 50.53 C ATOM 751 C PHE A 796 -0.512 21.138 70.391 1.00 52.06 C ATOM 752 O PHE A 796 -0.765 20.342 69.499 1.00 53.68 O ATOM 753 CB PHE A 796 -2.460 22.315 71.526 1.00 51.49 C ATOM 754 CG PHE A 796 -3.408 22.420 72.725 1.00 52.96 C ATOM 755 CD1 PHE A 796 -3.972 21.281 73.313 1.00 52.96 C ATOM 756 CD2 PHE A 796 -3.756 23.674 73.252 1.00 54.00 C ATOM 757 CE1 PHE A 796 -4.840 21.388 74.410 1.00 53.63 C ATOM 758 CE2 PHE A 796 -4.617 23.790 74.339 1.00 56.79 C ATOM 759 CZ PHE A 796 -5.164 22.642 74.917 1.00 56.78 C ATOM 760 H PHE A 796 -0.569 22.286 73.335 1.00 0.00 H ATOM 761 N THR A 797 0.551 21.930 70.355 1.00 53.62 N ATOM 762 CA THR A 797 1.409 22.014 69.174 1.00 56.62 C ATOM 763 C THR A 797 2.284 20.777 69.056 1.00 55.92 C ATOM 764 O THR A 797 2.485 20.277 67.954 1.00 58.73 O ATOM 765 CB THR A 797 2.263 23.320 69.146 1.00 59.41 C ATOM 766 OG1 THR A 797 3.122 23.388 70.292 1.00 59.41 O ATOM 767 CG2 THR A 797 1.351 24.540 69.133 1.00 59.23 C ATOM 768 HG1 THR A 797 3.654 24.222 70.255 1.00 0.00 H ATOM 769 H THR A 797 0.781 22.507 71.189 1.00 0.00 H ATOM 770 N ASN A 798 2.772 20.262 70.186 1.00 52.90 N ATOM 771 CA ASN A 798 3.421 18.935 70.209 1.00 53.23 C ATOM 772 C ASN A 798 2.538 17.878 69.579 1.00 52.21 C ATOM 773 O ASN A 798 2.985 17.122 68.726 1.00 53.69 O ATOM 774 CB ASN A 798 3.778 18.519 71.640 1.00 52.29 C ATOM 775 CG ASN A 798 4.989 19.262 72.184 1.00 53.16 C ATOM 776 OD1 ASN A 798 5.641 20.030 71.468 1.00 54.56 O ATOM 777 ND2 ASN A 798 5.265 19.077 73.468 1.00 49.62 N ATOM 778 HD22 ASN A 798 4.690 18.421 74.034 1.00 0.00 H ATOM 779 HD21 ASN A 798 6.056 19.588 73.909 1.00 0.00 H ATOM 780 H ASN A 798 2.694 20.806 71.069 1.00 0.00 H ATOM 781 N CYS A 799 1.280 17.846 69.997 1.00 50.74 N ATOM 782 CA CYS A 799 0.323 16.850 69.517 1.00 53.02 C ATOM 783 C CYS A 799 0.053 16.959 68.019 1.00 55.66 C ATOM 784 O CYS A 799 -0.052 15.947 67.327 1.00 56.87 O ATOM 785 CB CYS A 799 -1.003 16.940 70.298 1.00 51.05 C ATOM 786 SG CYS A 799 -2.281 15.817 69.701 1.00 53.66 S ATOM 787 H CYS A 799 0.963 18.554 70.690 1.00 0.00 H ATOM 788 N LYS A 800 -0.085 18.180 67.529 1.00 57.47 N ATOM 789 CA LYS A 800 -0.427 18.397 66.133 1.00 60.26 C ATOM 790 C LYS A 800 0.783 18.199 65.216 1.00 61.85 C ATOM 791 O LYS A 800 0.630 17.788 64.077 1.00 64.10 O ATOM 792 CB LYS A 800 -0.988 19.782 65.962 1.00 61.82 C ATOM 793 CG LYS A 800 -2.354 19.995 66.601 1.00 60.55 C ATOM 794 CD LYS A 800 -2.715 21.459 66.441 1.00 61.65 C ATOM 795 CE LYS A 800 -4.121 21.753 66.904 1.00 63.04 C ATOM 796 NZ LYS A 800 -4.218 23.115 67.519 1.00 65.58 N ATOM 797 HZ1 LYS A 800 -3.581 23.170 68.339 1.00 0.00 H ATOM 798 HZ2 LYS A 800 -3.944 23.831 66.817 1.00 0.00 H ATOM 799 HZ3 LYS A 800 -5.197 23.286 67.827 1.00 0.00 H ATOM 800 H LYS A 800 0.054 19.000 68.154 1.00 0.00 H ATOM 801 N GLU A 801 1.967 18.507 65.749 1.00 62.28 N ATOM 802 CA GLU A 801 3.270 18.215 65.114 1.00 64.43 C ATOM 803 C GLU A 801 3.510 16.725 64.905 1.00 64.71 C ATOM 804 O GLU A 801 3.996 16.310 63.845 1.00 68.75 O ATOM 805 CB GLU A 801 4.462 18.793 65.958 1.00 65.07 C ATOM 806 CG GLU A 801 5.020 20.126 65.437 1.00 68.67 C ATOM 807 CD GLU A 801 5.631 21.014 66.525 1.00 69.10 C ATOM 808 OE1 GLU A 801 6.590 20.569 67.185 1.00 69.15 O ATOM 809 OE2 GLU A 801 5.181 22.178 66.693 1.00 70.51 O ATOM 810 H GLU A 801 1.974 18.984 66.673 1.00 0.00 H ATOM 811 N TYR A 802 3.181 15.928 65.914 1.00 62.11 N ATOM 812 CA TYR A 802 3.489 14.499 65.913 1.00 63.52 C ATOM 813 C TYR A 802 2.400 13.642 65.233 1.00 64.33 C ATOM 814 O TYR A 802 2.726 12.713 64.505 1.00 69.05 O ATOM 815 CB TYR A 802 3.768 14.025 67.349 1.00 62.20 C ATOM 816 CG TYR A 802 4.191 12.577 67.455 1.00 64.49 C ATOM 817 CD1 TYR A 802 5.489 12.189 67.182 1.00 67.11 C ATOM 818 CD2 TYR A 802 3.284 11.598 67.831 1.00 65.82 C ATOM 819 CE1 TYR A 802 5.869 10.854 67.261 1.00 70.70 C ATOM 820 CE2 TYR A 802 3.652 10.262 67.919 1.00 68.83 C ATOM 821 CZ TYR A 802 4.941 9.894 67.630 1.00 70.87 C ATOM 822 OH TYR A 802 5.289 8.566 67.707 1.00 75.49 O ATOM 823 HH TYR A 802 6.245 8.462 67.471 1.00 0.00 H ATOM 824 H TYR A 802 2.687 16.334 66.734 1.00 0.00 H ATOM 825 N ASN A 803 1.125 13.958 65.448 1.00 61.66 N ATOM 826 CA ASN A 803 0.033 13.105 64.977 1.00 63.36 C ATOM 827 C ASN A 803 -0.613 13.543 63.646 1.00 68.77 C ATOM 828 O ASN A 803 -0.566 14.722 63.276 1.00 67.74 O ATOM 829 CB ASN A 803 -1.048 12.990 66.064 1.00 60.99 C ATOM 830 CG ASN A 803 -0.538 12.292 67.314 1.00 59.34 C ATOM 831 OD1 ASN A 803 -0.451 11.058 67.352 1.00 62.78 O ATOM 832 ND2 ASN A 803 -0.184 13.064 68.330 1.00 55.69 N ATOM 833 HD22 ASN A 803 -0.274 14.097 68.254 1.00 0.00 H ATOM 834 HD21 ASN A 803 0.184 12.637 69.204 1.00 0.00 H ATOM 835 H ASN A 803 0.899 14.833 65.963 1.00 0.00 H ATOM 836 N PRO A 804 -1.227 12.577 62.920 1.00 75.03 N ATOM 837 CA PRO A 804 -2.048 12.879 61.745 1.00 78.30 C ATOM 838 C PRO A 804 -3.262 13.776 62.032 1.00 77.49 C ATOM 839 O PRO A 804 -3.882 13.636 63.087 1.00 75.82 O ATOM 840 CB PRO A 804 -2.517 11.492 61.276 1.00 81.29 C ATOM 841 CG PRO A 804 -1.441 10.567 61.709 1.00 81.34 C ATOM 842 CD PRO A 804 -0.947 11.124 63.019 1.00 77.53 C ATOM 843 N PRO A 805 -3.633 14.651 61.072 1.00 81.55 N ATOM 844 CA PRO A 805 -4.729 15.622 61.271 1.00 80.37 C ATOM 845 C PRO A 805 -6.093 15.032 61.673 1.00 80.00 C ATOM 846 O PRO A 805 -6.835 15.653 62.464 1.00 78.62 O ATOM 847 CB PRO A 805 -4.822 16.368 59.920 1.00 85.12 C ATOM 848 CG PRO A 805 -3.630 15.975 59.118 1.00 88.96 C ATOM 849 CD PRO A 805 -2.989 14.775 59.739 1.00 87.22 C ATOM 850 N GLU A 806 -6.415 13.855 61.138 1.00 83.14 N ATOM 851 CA GLU A 806 -7.682 13.177 61.443 1.00 82.64 C ATOM 852 C GLU A 806 -7.532 12.096 62.528 1.00 78.62 C ATOM 853 O GLU A 806 -8.442 11.306 62.721 1.00 80.63 O ATOM 854 CB GLU A 806 -8.297 12.558 60.165 1.00 89.66 C ATOM 855 CG GLU A 806 -8.239 13.420 58.891 1.00 92.53 C ATOM 856 CD GLU A 806 -8.825 14.819 59.063 1.00 90.37 C ATOM 857 OE1 GLU A 806 -9.888 14.965 59.705 1.00 88.68 O ATOM 858 OE2 GLU A 806 -8.226 15.777 58.535 1.00 90.76 O ATOM 859 H GLU A 806 -5.747 13.401 60.483 1.00 0.00 H ATOM 860 N SER A 807 -6.398 12.064 63.235 1.00 73.28 N ATOM 861 CA SER A 807 -6.238 11.163 64.375 1.00 69.86 C ATOM 862 C SER A 807 -7.078 11.651 65.547 1.00 68.06 C ATOM 863 O SER A 807 -7.354 12.851 65.665 1.00 66.54 O ATOM 864 CB SER A 807 -4.773 11.064 64.800 1.00 66.95 C ATOM 865 OG SER A 807 -4.332 12.248 65.428 1.00 61.38 O ATOM 866 HG SER A 807 -4.425 13.008 64.800 1.00 0.00 H ATOM 867 H SER A 807 -5.614 12.693 62.969 1.00 0.00 H ATOM 868 N GLU A 808 -7.467 10.716 66.415 1.00 69.03 N ATOM 869 CA GLU A 808 -8.256 11.036 67.607 1.00 68.69 C ATOM 870 C GLU A 808 -7.534 12.038 68.492 1.00 63.51 C ATOM 871 O GLU A 808 -8.168 12.936 69.051 1.00 61.06 O ATOM 872 CB GLU A 808 -8.644 9.782 68.412 1.00 74.54 C ATOM 873 CG GLU A 808 -10.018 9.890 69.059 1.00 80.29 C ATOM 874 CD GLU A 808 -11.183 9.819 68.040 1.00 88.14 C ATOM 875 OE1 GLU A 808 -11.456 8.733 67.452 1.00 92.94 O ATOM 876 OE2 GLU A 808 -11.837 10.863 67.826 1.00 88.30 O ATOM 877 H GLU A 808 -7.201 9.726 66.240 1.00 0.00 H ATOM 878 N TYR A 809 -6.210 11.915 68.580 1.00 60.85 N ATOM 879 CA TYR A 809 -5.416 12.797 69.431 1.00 59.62 C ATOM 880 C TYR A 809 -5.421 14.241 68.901 1.00 58.76 C ATOM 881 O TYR A 809 -5.586 15.189 69.679 1.00 54.93 O ATOM 882 CB TYR A 809 -3.965 12.304 69.585 1.00 60.93 C ATOM 883 CG TYR A 809 -3.809 10.890 70.145 1.00 63.92 C ATOM 884 CD1 TYR A 809 -4.551 10.449 71.247 1.00 64.54 C ATOM 885 CD2 TYR A 809 -2.914 9.998 69.577 1.00 67.87 C ATOM 886 CE1 TYR A 809 -4.405 9.159 71.752 1.00 66.78 C ATOM 887 CE2 TYR A 809 -2.758 8.705 70.079 1.00 70.81 C ATOM 888 CZ TYR A 809 -3.504 8.293 71.167 1.00 70.80 C ATOM 889 OH TYR A 809 -3.343 7.011 71.655 1.00 79.28 O ATOM 890 HH TYR A 809 -3.945 6.876 72.429 1.00 0.00 H ATOM 891 H TYR A 809 -5.731 11.174 68.030 1.00 0.00 H ATOM 892 N TYR A 810 -5.272 14.397 67.585 1.00 59.80 N ATOM 893 CA TYR A 810 -5.336 15.721 66.945 1.00 60.89 C ATOM 894 C TYR A 810 -6.715 16.361 67.192 1.00 57.94 C ATOM 895 O TYR A 810 -6.781 17.499 67.591 1.00 55.54 O ATOM 896 CB TYR A 810 -5.031 15.616 65.432 1.00 63.02 C ATOM 897 CG TYR A 810 -4.591 16.904 64.763 1.00 63.97 C ATOM 898 CD1 TYR A 810 -5.491 17.964 64.569 1.00 67.01 C ATOM 899 CD2 TYR A 810 -3.288 17.054 64.271 1.00 67.03 C ATOM 900 CE1 TYR A 810 -5.104 19.142 63.937 1.00 66.54 C ATOM 901 CE2 TYR A 810 -2.889 18.227 63.615 1.00 67.95 C ATOM 902 CZ TYR A 810 -3.806 19.264 63.451 1.00 68.45 C ATOM 903 OH TYR A 810 -3.431 20.429 62.843 1.00 69.51 O ATOM 904 HH TYR A 810 -4.203 21.048 62.813 1.00 0.00 H ATOM 905 H TYR A 810 -5.106 13.558 66.993 1.00 0.00 H ATOM 906 N LYS A 811 -7.793 15.613 66.956 1.00 59.74 N ATOM 907 CA LYS A 811 -9.163 16.098 67.208 1.00 61.57 C ATOM 908 C LYS A 811 -9.346 16.558 68.649 1.00 59.46 C ATOM 909 O LYS A 811 -9.860 17.659 68.883 1.00 60.50 O ATOM 910 CB LYS A 811 -10.205 15.020 66.884 1.00 66.55 C ATOM 911 CG LYS A 811 -10.369 14.769 65.398 1.00 72.31 C ATOM 912 CD LYS A 811 -11.423 13.711 65.099 1.00 76.42 C ATOM 913 CE LYS A 811 -10.811 12.333 64.917 1.00 79.87 C ATOM 914 NZ LYS A 811 -11.573 11.500 63.953 1.00 84.79 N ATOM 915 HZ1 LYS A 811 -12.547 11.377 64.297 1.00 0.00 H ATOM 916 HZ2 LYS A 811 -11.588 11.971 63.026 1.00 0.00 H ATOM 917 HZ3 LYS A 811 -11.116 10.570 63.863 1.00 0.00 H ATOM 918 H LYS A 811 -7.663 14.652 66.580 1.00 0.00 H ATOM 919 N CYS A 812 -8.891 15.722 69.603 1.00 57.78 N ATOM 920 CA CYS A 812 -8.928 16.046 71.041 1.00 52.21 C ATOM 921 C CYS A 812 -8.176 17.341 71.347 1.00 48.33 C ATOM 922 O CYS A 812 -8.637 18.160 72.148 1.00 46.79 O ATOM 923 CB CYS A 812 -8.384 14.885 71.908 1.00 51.73 C ATOM 924 SG CYS A 812 -9.470 13.421 72.057 1.00 52.78 S ATOM 925 H CYS A 812 -8.495 14.806 69.311 1.00 0.00 H ATOM 926 N ALA A 813 -7.024 17.517 70.724 1.00 46.79 N ATOM 927 CA ALA A 813 -6.223 18.740 70.914 1.00 47.66 C ATOM 928 C ALA A 813 -7.019 20.012 70.600 1.00 47.83 C ATOM 929 O ALA A 813 -6.961 20.970 71.348 1.00 47.08 O ATOM 930 CB ALA A 813 -4.948 18.693 70.067 1.00 48.61 C ATOM 931 H ALA A 813 -6.674 16.775 70.085 1.00 0.00 H ATOM 932 N ASN A 814 -7.761 19.994 69.499 1.00 50.62 N ATOM 933 CA ASN A 814 -8.544 21.156 69.063 1.00 53.96 C ATOM 934 C ASN A 814 -9.833 21.363 69.850 1.00 53.20 C ATOM 935 O ASN A 814 -10.252 22.503 70.054 1.00 54.60 O ATOM 936 CB ASN A 814 -8.889 21.053 67.567 1.00 56.23 C ATOM 937 CG ASN A 814 -7.784 21.590 66.667 1.00 58.20 C ATOM 938 OD1 ASN A 814 -6.939 22.387 67.093 1.00 56.39 O ATOM 939 ND2 ASN A 814 -7.768 21.129 65.416 1.00 60.63 N ATOM 940 HD22 ASN A 814 -8.498 20.460 65.099 1.00 0.00 H ATOM 941 HD21 ASN A 814 -7.025 21.439 64.757 1.00 0.00 H ATOM 942 H ASN A 814 -7.788 19.127 68.926 1.00 0.00 H ATOM 943 N ILE A 815 -10.494 20.272 70.221 1.00 50.77 N ATOM 944 CA ILE A 815 -11.671 20.364 71.101 1.00 52.13 C ATOM 945 C ILE A 815 -11.233 20.969 72.440 1.00 48.80 C ATOM 946 O ILE A 815 -11.858 21.893 72.953 1.00 48.88 O ATOM 947 CB ILE A 815 -12.339 18.991 71.338 1.00 52.23 C ATOM 948 CG1 ILE A 815 -12.956 18.462 70.038 1.00 54.29 C ATOM 949 CG2 ILE A 815 -13.412 19.102 72.418 1.00 52.23 C ATOM 950 CD1 ILE A 815 -13.310 16.970 70.085 1.00 55.42 C ATOM 951 H ILE A 815 -10.176 19.340 69.885 1.00 0.00 H ATOM 952 N LEU A 816 -10.129 20.475 72.971 1.00 46.61 N ATOM 953 CA LEU A 816 -9.683 20.924 74.277 1.00 45.76 C ATOM 954 C LEU A 816 -9.163 22.335 74.231 1.00 44.72 C ATOM 955 O LEU A 816 -9.328 23.097 75.162 1.00 45.14 O ATOM 956 CB LEU A 816 -8.620 19.969 74.842 1.00 43.75 C ATOM 957 CG LEU A 816 -8.303 20.187 76.323 1.00 42.57 C ATOM 958 CD1 LEU A 816 -9.535 19.939 77.205 1.00 43.99 C ATOM 959 CD2 LEU A 816 -7.153 19.311 76.752 1.00 41.19 C ATOM 960 H LEU A 816 -9.578 19.762 72.452 1.00 0.00 H ATOM 961 N GLU A 817 -8.515 22.678 73.137 1.00 48.76 N ATOM 962 CA GLU A 817 -8.067 24.056 72.928 1.00 51.75 C ATOM 963 C GLU A 817 -9.234 25.052 72.885 1.00 49.58 C ATOM 964 O GLU A 817 -9.160 26.109 73.483 1.00 49.58 O ATOM 965 CB GLU A 817 -7.261 24.164 71.642 1.00 54.80 C ATOM 966 CG GLU A 817 -6.569 25.508 71.482 1.00 58.63 C ATOM 967 CD GLU A 817 -5.819 25.617 70.176 1.00 61.45 C ATOM 968 OE1 GLU A 817 -6.427 25.288 69.130 1.00 60.98 O ATOM 969 OE2 GLU A 817 -4.619 26.010 70.212 1.00 62.72 O ATOM 970 H GLU A 817 -8.319 21.960 72.411 1.00 0.00 H ATOM 971 N LYS A 818 -10.275 24.716 72.142 1.00 48.58 N ATOM 972 CA LYS A 818 -11.503 25.526 72.121 1.00 50.81 C ATOM 973 C LYS A 818 -12.054 25.742 73.513 1.00 51.06 C ATOM 974 O LYS A 818 -12.380 26.858 73.890 1.00 53.68 O ATOM 975 CB LYS A 818 -12.569 24.859 71.268 1.00 52.29 C ATOM 976 CG LYS A 818 -12.335 25.110 69.795 1.00 54.78 C ATOM 977 CD LYS A 818 -13.080 24.172 68.839 1.00 56.21 C ATOM 978 CE LYS A 818 -14.469 24.636 68.527 1.00 58.37 C ATOM 979 NZ LYS A 818 -15.027 23.792 67.437 1.00 60.18 N ATOM 980 HZ1 LYS A 818 -14.429 23.880 66.591 1.00 0.00 H ATOM 981 HZ2 LYS A 818 -15.049 22.799 67.746 1.00 0.00 H ATOM 982 HZ3 LYS A 818 -15.992 24.109 67.215 1.00 0.00 H ATOM 983 H LYS A 818 -10.224 23.857 71.558 1.00 0.00 H ATOM 984 N PHE A 819 -12.126 24.660 74.283 1.00 50.05 N ATOM 985 CA PHE A 819 -12.642 24.710 75.641 1.00 49.25 C ATOM 986 C PHE A 819 -11.774 25.620 76.495 1.00 50.17 C ATOM 987 O PHE A 819 -12.269 26.505 77.191 1.00 51.78 O ATOM 988 CB PHE A 819 -12.678 23.293 76.252 1.00 48.32 C ATOM 989 CG PHE A 819 -13.098 23.272 77.697 1.00 46.31 C ATOM 990 CD1 PHE A 819 -14.431 23.440 78.047 1.00 47.11 C ATOM 991 CD2 PHE A 819 -12.159 23.117 78.701 1.00 45.10 C ATOM 992 CE1 PHE A 819 -14.824 23.435 79.377 1.00 47.75 C ATOM 993 CE2 PHE A 819 -12.541 23.116 80.037 1.00 46.17 C ATOM 994 CZ PHE A 819 -13.876 23.274 80.378 1.00 47.61 C ATOM 995 H PHE A 819 -11.803 23.748 73.901 1.00 0.00 H ATOM 996 N PHE A 820 -10.477 25.366 76.435 1.00 50.36 N ATOM 997 CA PHE A 820 -9.468 26.190 77.074 1.00 53.76 C ATOM 998 C PHE A 820 -9.674 27.695 76.833 1.00 54.94 C ATOM 999 O PHE A 820 -9.785 28.468 77.779 1.00 54.38 O ATOM 1000 CB PHE A 820 -8.100 25.712 76.579 1.00 56.83 C ATOM 1001 CG PHE A 820 -7.000 26.703 76.733 1.00 63.01 C ATOM 1002 CD1 PHE A 820 -6.652 27.201 77.977 1.00 65.63 C ATOM 1003 CD2 PHE A 820 -6.250 27.091 75.621 1.00 68.82 C ATOM 1004 CE1 PHE A 820 -5.603 28.103 78.110 1.00 70.62 C ATOM 1005 CE2 PHE A 820 -5.196 27.982 75.753 1.00 71.58 C ATOM 1006 CZ PHE A 820 -4.871 28.494 76.996 1.00 72.86 C ATOM 1007 H PHE A 820 -10.164 24.530 75.901 1.00 0.00 H ATOM 1008 N PHE A 821 -9.750 28.103 75.571 1.00 54.44 N ATOM 1009 CA PHE A 821 -9.935 29.519 75.270 1.00 57.00 C ATOM 1010 C PHE A 821 -11.234 30.088 75.817 1.00 59.84 C ATOM 1011 O PHE A 821 -11.267 31.242 76.220 1.00 61.64 O ATOM 1012 CB PHE A 821 -9.837 29.783 73.769 1.00 57.27 C ATOM 1013 CG PHE A 821 -8.426 29.760 73.238 1.00 55.84 C ATOM 1014 CD1 PHE A 821 -7.464 30.612 73.754 1.00 57.15 C ATOM 1015 CD2 PHE A 821 -8.079 28.927 72.179 1.00 54.94 C ATOM 1016 CE1 PHE A 821 -6.182 30.621 73.236 1.00 57.76 C ATOM 1017 CE2 PHE A 821 -6.802 28.935 71.655 1.00 54.78 C ATOM 1018 CZ PHE A 821 -5.849 29.779 72.184 1.00 55.98 C ATOM 1019 H PHE A 821 -9.678 27.413 74.797 1.00 0.00 H ATOM 1020 N SER A 822 -12.301 29.295 75.816 1.00 60.34 N ATOM 1021 CA SER A 822 -13.585 29.758 76.361 1.00 63.31 C ATOM 1022 C SER A 822 -13.471 30.004 77.863 1.00 64.18 C ATOM 1023 O SER A 822 -14.085 30.922 78.387 1.00 67.62 O ATOM 1024 CB SER A 822 -14.721 28.770 76.044 1.00 63.80 C ATOM 1025 OG SER A 822 -14.671 27.635 76.895 1.00 67.05 O ATOM 1026 HG SER A 822 -13.806 27.170 76.773 1.00 0.00 H ATOM 1027 H SER A 822 -12.226 28.334 75.424 1.00 0.00 H ATOM 1028 N LYS A 823 -12.674 29.189 78.546 1.00 63.92 N ATOM 1029 CA LYS A 823 -12.470 29.355 79.987 1.00 66.59 C ATOM 1030 C LYS A 823 -11.573 30.531 80.347 1.00 69.69 C ATOM 1031 O LYS A 823 -11.795 31.172 81.350 1.00 72.38 O ATOM 1032 CB LYS A 823 -11.931 28.063 80.607 1.00 65.36 C ATOM 1033 CG LYS A 823 -12.945 26.934 80.608 1.00 65.08 C ATOM 1034 CD LYS A 823 -14.048 27.179 81.628 1.00 69.06 C ATOM 1035 CE LYS A 823 -15.385 26.628 81.179 1.00 70.77 C ATOM 1036 NZ LYS A 823 -16.443 26.920 82.188 1.00 75.44 N ATOM 1037 HZ1 LYS A 823 -16.186 26.481 83.095 1.00 0.00 H ATOM 1038 HZ2 LYS A 823 -16.528 27.949 82.312 1.00 0.00 H ATOM 1039 HZ3 LYS A 823 -17.350 26.533 81.859 1.00 0.00 H ATOM 1040 H LYS A 823 -12.185 28.418 78.048 1.00 0.00 H ATOM 1041 N ILE A 824 -10.570 30.810 79.521 1.00 71.74 N ATOM 1042 CA ILE A 824 -9.720 31.997 79.666 1.00 77.47 C ATOM 1043 C ILE A 824 -10.497 33.305 79.459 1.00 81.33 C ATOM 1044 O ILE A 824 -10.284 34.283 80.179 1.00 85.07 O ATOM 1045 CB ILE A 824 -8.611 31.988 78.567 1.00 77.75 C ATOM 1046 CG1 ILE A 824 -7.599 30.901 78.787 1.00 77.93 C ATOM 1047 CG2 ILE A 824 -7.864 33.312 78.477 1.00 82.88 C ATOM 1048 CD1 ILE A 824 -7.061 30.876 80.188 1.00 80.88 C ATOM 1049 H ILE A 824 -10.379 30.156 78.735 1.00 0.00 H ATOM 1050 N LYS A 825 -11.307 33.337 78.407 1.00 79.76 N ATOM 1051 CA LYS A 825 -12.163 34.464 78.128 1.00 82.55 C ATOM 1052 C LYS A 825 -13.136 34.680 79.280 1.00 85.62 C ATOM 1053 O LYS A 825 -13.325 35.802 79.707 1.00 90.84 O ATOM 1054 CB LYS A 825 -12.926 34.231 76.821 1.00 81.41 C ATOM 1055 CG LYS A 825 -13.781 35.407 76.354 1.00 85.78 C ATOM 1056 H LYS A 825 -11.325 32.521 77.762 1.00 0.00 H ATOM 1057 N GLU A 826 -13.723 33.601 79.788 1.00 86.62 N ATOM 1058 CA GLU A 826 -14.613 33.662 80.968 1.00 90.75 C ATOM 1059 C GLU A 826 -13.965 34.312 82.176 1.00 92.12 C ATOM 1060 O GLU A 826 -14.612 35.051 82.897 1.00 94.16 O ATOM 1061 CB GLU A 826 -15.088 32.264 81.382 1.00 92.72 C ATOM 1062 CG GLU A 826 -16.532 31.956 81.020 1.00 97.67 C ATOM 1063 CD GLU A 826 -16.907 30.508 81.298 1.00 99.62 C ATOM 1064 OE1 GLU A 826 -17.552 29.880 80.422 1.00100.48 O ATOM 1065 OE2 GLU A 826 -16.537 29.997 82.383 1.00 99.90 O ATOM 1066 H GLU A 826 -13.550 32.679 79.339 1.00 0.00 H ATOM 1067 N ALA A 827 -12.694 34.007 82.404 1.00 92.07 N ATOM 1068 CA ALA A 827 -11.962 34.530 83.560 1.00 95.79 C ATOM 1069 C ALA A 827 -11.450 35.959 83.358 1.00 99.82 C ATOM 1070 O ALA A 827 -11.087 36.625 84.329 1.00102.30 O ATOM 1071 CB ALA A 827 -10.798 33.604 83.905 1.00 93.11 C ATOM 1072 H ALA A 827 -12.201 33.376 81.740 1.00 0.00 H ATOM 1073 N GLY A 828 -11.398 36.419 82.106 1.00100.58 N ATOM 1074 CA GLY A 828 -10.854 37.736 81.783 1.00105.37 C ATOM 1075 C GLY A 828 -9.350 37.794 81.981 1.00105.98 C ATOM 1076 O GLY A 828 -8.813 38.829 82.384 1.00109.98 O ATOM 1077 H GLY A 828 -11.757 35.820 81.335 1.00 0.00 H ATOM 1078 N LEU A 829 -8.665 36.688 81.691 1.00101.71 N ATOM 1079 CA LEU A 829 -7.208 36.634 81.863 1.00102.47 C ATOM 1080 C LEU A 829 -6.548 37.506 80.776 1.00105.61 C ATOM 1081 O LEU A 829 -6.720 37.238 79.580 1.00103.77 O ATOM 1082 CB LEU A 829 -6.695 35.183 81.792 1.00 96.81 C ATOM 1083 H LEU A 829 -9.170 35.851 81.338 1.00 0.00 H ATOM 1084 N ILE A 830 -5.810 38.544 81.205 1.00110.29 N ATOM 1085 CA ILE A 830 -5.317 39.621 80.315 1.00112.67 C ATOM 1086 C ILE A 830 -3.948 40.160 80.762 1.00114.43 C ATOM 1087 O ILE A 830 -2.955 39.431 80.779 1.00108.60 O ATOM 1088 CB ILE A 830 -6.315 40.802 80.276 1.00114.11 C ATOM 1089 H ILE A 830 -5.572 38.594 82.216 1.00 0.00 H TER 1090 ILE A 830 HETATM 1091 O HOH 1 1.937 14.991 71.653 1.00 42.53 O HETATM 1092 O HOH 2 -1.168 11.353 79.077 1.00 60.38 O HETATM 1093 O HOH 3 5.569 21.914 69.651 1.00 51.87 O HETATM 1094 O HOH 4 -15.151 16.070 73.862 1.00 58.00 O HETATM 1095 O HOH 5 0.446 13.389 77.041 1.00 44.28 O HETATM 1096 O HOH 6 -8.918 24.612 68.451 1.00 55.96 O HETATM 1097 O HOH 7 0.332 31.157 89.854 1.00 58.20 O HETATM 1098 O HOH 8 4.118 25.708 71.186 1.00 61.91 O HETATM 1099 O HOH 9 8.598 20.265 71.404 1.00 52.36 O HETATM 1100 O HOH 10 1.120 15.802 76.053 1.00 48.65 O HETATM 1101 O HOH 11 7.706 2.989 70.661 1.00 63.77 O HETATM 1102 O HOH 12 -12.124 29.617 86.399 1.00 67.17 O HETATM 1103 O HOH 13 -2.021 25.545 69.354 1.00 66.55 O HETATM 1104 O HOH 14 0.688 16.585 73.429 1.00 46.55 O HETATM 1105 O HOH 15 3.457 8.668 81.951 1.00 70.88 O HETATM 1106 O HOH 16 -14.374 20.190 82.628 1.00 49.49 O HETATM 1107 O HOH 17 4.368 27.267 73.342 1.00 61.45 O HETATM 1108 O HOH 18 2.230 28.829 89.531 1.00 67.75 O HETATM 1109 O HOH 19 -16.125 21.128 74.795 1.00 53.22 O HETATM 1110 O HOH 20 -9.981 13.223 80.332 1.00 61.33 O HETATM 1111 O HOH 21 -5.221 11.728 59.560 1.00 59.50 O HETATM 1112 O HOH 22 -14.700 22.646 72.878 1.00 46.95 O HETATM 1113 O HOH 23 -17.149 31.058 77.709 1.00 74.63 O HETATM 1114 O HOH 24 3.540 9.035 84.680 1.00 70.00 O HETATM 1115 O HOH 25 -2.520 14.910 85.365 1.00 58.64 O HETATM 1116 O HOH 26 5.137 14.410 77.058 1.00 43.59 O HETATM 1117 O HOH 27 0.024 38.015 82.637 1.00 69.55 O HETATM 1118 O HOH 28 6.571 27.344 74.720 1.00 60.50 O HETATM 1119 O HOH 29 10.069 20.166 68.503 1.00 71.28 O HETATM 1120 O HOH 30 7.638 18.734 91.995 1.00 56.23 O HETATM 1121 O HOH 31 8.959 6.921 78.775 1.00 74.68 O HETATM 1122 O HOH 32 -15.960 17.894 83.645 1.00 55.52 O HETATM 1123 O HOH 33 -15.956 22.417 83.329 1.00 59.35 O HETATM 1124 O HOH 34 11.457 4.585 79.228 1.00 65.52 O HETATM 1125 O HOH 35 3.475 6.157 85.396 1.00 73.00 O HETATM 1126 O HOH 36 6.443 30.179 72.989 1.00 75.19 O HETATM 1127 CAN UNN A 37 -0.657 9.568 76.345 1.00 0.00 C HETATM 1128 CAL UNN A 37 -1.709 8.991 77.249 1.00 0.05 C HETATM 1129 OAS UNN A 37 -2.913 8.750 76.501 1.00 -0.38 O HETATM 1130 CAM UNN A 37 -2.722 7.681 75.592 1.00 0.05 C HETATM 1131 CAO UNN A 37 -1.608 8.008 74.620 1.00 0.00 C HETATM 1132 CBB UNN A 37 -1.042 9.393 74.855 1.00 0.08 C HETATM 1133 OAU UNN A 37 0.177 9.676 74.028 1.00 -0.32 O HETATM 1134 CAZ UNN A 37 0.326 9.270 72.700 1.00 0.10 C HETATM 1135 CBA UNN A 37 0.371 10.268 71.677 1.00 0.07 C HETATM 1136 CAK UNN A 37 0.558 9.821 70.351 1.00 -0.02 C HETATM 1137 CAY UNN A 37 0.706 8.476 70.006 1.00 0.09 C HETATM 1138 CAI UNN A 37 0.658 7.510 71.017 1.00 -0.04 C HETATM 1139 CAJ UNN A 37 0.488 7.911 72.348 1.00 -0.03 C HETATM 1140 H15 UNN A 37 0.480 7.159 73.129 1.00 0.05 H HETATM 1141 H16 UNN A 37 0.752 6.458 70.772 1.00 0.06 H HETATM 1142 OAT UNN A 37 0.852 8.189 68.673 1.00 -0.30 O HETATM 1143 CAP UNN A 37 1.472 6.968 68.232 1.00 0.16 C HETATM 1144 CAV UNN A 37 1.725 7.051 66.711 1.00 0.23 C HETATM 1145 OAB UNN A 37 2.153 6.073 66.093 1.00 -0.38 O HETATM 1146 NAR UNN A 37 1.441 8.258 66.166 1.00 -0.23 N HETATM 1147 CAX UNN A 37 1.638 8.481 64.860 1.00 0.07 C HETATM 1148 CAG UNN A 37 0.788 7.918 63.902 1.00 -0.04 C HETATM 1149 CAE UNN A 37 1.003 8.191 62.545 1.00 -0.08 C HETATM 1150 CAD UNN A 37 2.055 9.029 62.147 1.00 -0.08 C HETATM 1151 CAF UNN A 37 2.897 9.603 63.104 1.00 -0.08 C HETATM 1152 CAH UNN A 37 2.683 9.331 64.455 1.00 -0.04 C HETATM 1153 H24 UNN A 37 3.329 9.780 65.201 1.00 0.05 H HETATM 1154 H23 UNN A 37 3.709 10.254 62.799 1.00 0.06 H HETATM 1155 H22 UNN A 37 2.216 9.232 61.094 1.00 0.05 H HETATM 1156 H21 UNN A 37 0.352 7.752 61.798 1.00 0.06 H HETATM 1157 H20 UNN A 37 -0.030 7.276 64.207 1.00 0.05 H HETATM 1158 H19 UNN A 37 1.081 8.990 66.744 1.00 0.23 H HETATM 1159 H17 UNN A 37 0.808 6.118 68.449 1.00 0.09 H HETATM 1160 H18 UNN A 37 2.428 6.830 68.757 1.00 0.09 H HETATM 1161 H10 UNN A 37 0.588 10.561 69.559 1.00 0.06 H HETATM 1162 CAW UNN A 37 0.247 11.676 71.869 1.00 0.20 C HETATM 1163 OAC UNN A 37 0.696 12.455 71.032 1.00 -0.39 O HETATM 1164 NAQ UNN A 37 -0.406 12.118 72.958 1.00 -0.29 N HETATM 1165 CAA UNN A 37 -0.520 13.566 73.168 1.00 0.02 C HETATM 1166 H12 UNN A 37 -1.078 13.759 74.096 1.00 0.05 H HETATM 1167 H13 UNN A 37 -1.053 14.019 72.319 1.00 0.05 H HETATM 1168 H14 UNN A 37 0.485 14.005 73.247 1.00 0.05 H HETATM 1169 H11 UNN A 37 -0.805 11.474 73.611 1.00 0.18 H HETATM 1170 H9 UNN A 37 -1.819 10.127 74.595 1.00 0.07 H HETATM 1171 H7 UNN A 37 -2.003 7.955 73.595 1.00 0.03 H HETATM 1172 H8 UNN A 37 -0.802 7.269 74.741 1.00 0.03 H HETATM 1173 H5 UNN A 37 -3.653 7.511 75.032 1.00 0.06 H HETATM 1174 H6 UNN A 37 -2.459 6.771 76.152 1.00 0.06 H HETATM 1175 H3 UNN A 37 -1.920 9.700 78.063 1.00 0.06 H HETATM 1176 H4 UNN A 37 -1.347 8.043 77.673 1.00 0.06 H HETATM 1177 H1 UNN A 37 0.298 9.054 76.532 1.00 0.03 H HETATM 1178 H2 UNN A 37 -0.545 10.640 76.563 1.00 0.03 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1127 1128 1132 1177 1178 CONECT 1128 1127 1129 1175 1176 CONECT 1129 1128 1130 CONECT 1130 1129 1131 1173 1174 CONECT 1131 1130 1132 1171 1172 CONECT 1132 1127 1131 1133 1170 CONECT 1133 1132 1134 CONECT 1134 1133 1135 1139 CONECT 1135 1134 1136 1162 CONECT 1136 1135 1137 1161 CONECT 1137 1136 1138 1142 CONECT 1138 1137 1139 1141 CONECT 1139 1134 1138 1140 CONECT 1140 1139 CONECT 1141 1138 CONECT 1142 1137 1143 CONECT 1143 1142 1144 1159 1160 CONECT 1144 1143 1145 1146 CONECT 1145 1144 CONECT 1146 1144 1147 1158 CONECT 1147 1146 1148 1152 CONECT 1148 1147 1149 1157 CONECT 1149 1148 1150 1156 CONECT 1150 1149 1151 1155 CONECT 1151 1150 1152 1154 CONECT 1152 1147 1151 1153 CONECT 1153 1152 CONECT 1154 1151 CONECT 1155 1150 CONECT 1156 1149 CONECT 1157 1148 CONECT 1158 1146 CONECT 1159 1143 CONECT 1160 1143 CONECT 1161 1136 CONECT 1162 1135 1163 1164 CONECT 1163 1162 CONECT 1164 1162 1165 1169 CONECT 1165 1164 1166 1167 1168 CONECT 1166 1165 CONECT 1167 1165 CONECT 1168 1165 CONECT 1169 1164 CONECT 1170 1132 CONECT 1171 1131 CONECT 1172 1131 CONECT 1173 1130 CONECT 1174 1130 CONECT 1175 1128 CONECT 1176 1128 CONECT 1177 1127 CONECT 1178 1127 MASTER 0 0 0 0 0 0 0 0 1177 1 56 9 END
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Related entries of code: 5fdz
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Protein Sequence Similarity
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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
5fdz
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
human PCAF bromodomain
Ligand Name
5X0
EC.Number
E.C.2.3.1.48
Resolution
2.4(Å)
Affinity (Kd/Ki/IC50)
Kd=6.8uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J.Med.Chem. Vol. 59: pp. 1648-1653
Ligand Properties
Formula
C
2
1
H
2
4
N
2
O
5
Molecular Weight
384.426
Exact Mass
384.169
No. of atoms
52
No. of bonds
54
Polar Surface Area
85.89
LOGP Value
2.45 (
Computed with XLOGP3
)
3.09 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 3
Canonical SMILES
CNC(=O)c1cc(OCC(=O)Nc2ccccc2)ccc1OC1CCOCC1
InChI String
InChI=1S/C21H24N2O5/c1-22-21(25)18-13-17(7-8-19(18)28-16-9-11-26-12-10-16)27-14-20(24)23-15-5-3-2-4-6-15/h2-8,13,16H,9-12,14H2,1H3,(H,22,25)(H,23,24)
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):
Q92831
Entrez Gene ID
NCBI Entrez Gene ID:
8850
ASD
Information of known allosteric effects of PDB entries
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