Browse entries in the PDBbind-CN Database
HEADER 5FE6_COMPLEX COMPND 5FE6_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 109 ARG ASP PRO ASP GLN LEU TYR SER THR LEU LYS SER ILE SEQRES 2 A 109 LEU GLN GLN VAL LYS SER HIS GLN SER ALA TRP PRO PHE SEQRES 3 A 109 MET GLU PRO VAL LYS ARG THR GLU ALA PRO GLY TYR TYR SEQRES 4 A 109 GLU VAL ILE ARG PHE PRO MET ASP LEU LYS THR MET SER SEQRES 5 A 109 GLU ARG LEU LYS ASN ARG TYR TYR VAL SER LYS LYS LEU SEQRES 6 A 109 PHE MET ALA ASP LEU GLN ARG VAL PHE THR ASN CYS LYS SEQRES 7 A 109 GLU TYR ASN PRO PRO GLU SER GLU TYR TYR LYS CYS ALA SEQRES 8 A 109 ASN ILE LEU GLU LYS PHE PHE PHE SER LYS ILE LYS GLU SEQRES 9 A 109 ALA GLY LEU ILE ASP HET UNN A 230 27 ATOM 1 N ARG A 723 -4.547 38.699 58.028 1.00102.28 N ATOM 2 CA ARG A 723 -3.242 38.995 57.341 1.00106.45 C ATOM 3 C ARG A 723 -3.359 38.913 55.822 1.00102.45 C ATOM 4 O ARG A 723 -4.050 38.038 55.310 1.00 97.04 O ATOM 5 CB ARG A 723 -2.142 38.015 57.789 1.00105.34 C ATOM 6 HN3 ARG A 723 -4.859 37.739 57.779 1.00 0.00 H ATOM 7 HN2 ARG A 723 -5.263 39.388 57.721 1.00 0.00 H ATOM 8 HN1 ARG A 723 -4.418 38.767 59.058 1.00 0.00 H ATOM 9 N ASP A 724 -2.686 39.821 55.110 1.00101.39 N ATOM 10 CA ASP A 724 -2.532 39.698 53.655 1.00 96.19 C ATOM 11 C ASP A 724 -1.813 38.386 53.236 1.00 92.72 C ATOM 12 O ASP A 724 -2.259 37.736 52.292 1.00 82.90 O ATOM 13 CB ASP A 724 -1.825 40.927 53.066 1.00 96.51 C ATOM 14 H ASP A 724 -2.261 40.635 55.598 1.00 0.00 H ATOM 15 N PRO A 725 -0.708 38.002 53.938 1.00 91.97 N ATOM 16 CA PRO A 725 -0.089 36.660 53.790 1.00 86.12 C ATOM 17 C PRO A 725 -1.012 35.478 54.133 1.00 81.74 C ATOM 18 O PRO A 725 -1.065 34.495 53.383 1.00 60.69 O ATOM 19 CB PRO A 725 1.094 36.699 54.781 1.00 90.06 C ATOM 20 CG PRO A 725 1.432 38.142 54.922 1.00 91.65 C ATOM 21 CD PRO A 725 0.147 38.905 54.742 1.00 94.67 C ATOM 22 N ASP A 726 -1.706 35.556 55.272 1.00 80.85 N ATOM 23 CA ASP A 726 -2.634 34.491 55.670 1.00 77.35 C ATOM 24 C ASP A 726 -3.904 34.486 54.825 1.00 67.37 C ATOM 25 O ASP A 726 -4.469 33.426 54.591 1.00 58.18 O ATOM 26 CB ASP A 726 -3.015 34.629 57.151 1.00 80.60 C ATOM 27 CG ASP A 726 -4.118 33.651 57.571 1.00 85.32 C ATOM 28 OD1 ASP A 726 -4.051 32.456 57.187 1.00 91.11 O ATOM 29 OD2 ASP A 726 -5.062 34.079 58.275 1.00 95.61 O ATOM 30 H ASP A 726 -1.587 36.386 55.887 1.00 0.00 H ATOM 31 N GLN A 727 -4.364 35.659 54.391 1.00 64.10 N ATOM 32 CA GLN A 727 -5.456 35.726 53.425 1.00 61.95 C ATOM 33 C GLN A 727 -5.063 34.974 52.128 1.00 55.82 C ATOM 34 O GLN A 727 -5.854 34.179 51.588 1.00 52.88 O ATOM 35 CB GLN A 727 -5.788 37.163 53.069 1.00 64.25 C ATOM 36 CG GLN A 727 -6.817 37.340 51.935 1.00 68.59 C ATOM 37 CD GLN A 727 -8.159 36.646 52.190 1.00 75.97 C ATOM 38 OE1 GLN A 727 -8.220 35.491 52.612 1.00 80.10 O ATOM 39 NE2 GLN A 727 -9.249 37.358 51.913 1.00 85.58 N ATOM 40 HE22 GLN A 727 -9.158 38.331 51.558 1.00 0.00 H ATOM 41 HE21 GLN A 727 -10.192 36.941 52.052 1.00 0.00 H ATOM 42 H GLN A 727 -3.939 36.539 54.746 1.00 0.00 H ATOM 43 N LEU A 728 -3.887 35.286 51.603 1.00 52.24 N ATOM 44 CA LEU A 728 -3.448 34.630 50.364 1.00 52.31 C ATOM 45 C LEU A 728 -3.372 33.116 50.575 1.00 46.61 C ATOM 46 O LEU A 728 -3.892 32.345 49.761 1.00 46.03 O ATOM 47 CB LEU A 728 -2.103 35.186 49.876 1.00 54.32 C ATOM 48 CG LEU A 728 -1.514 34.435 48.667 1.00 49.92 C ATOM 49 CD1 LEU A 728 -2.462 34.481 47.475 1.00 50.12 C ATOM 50 CD2 LEU A 728 -0.172 35.014 48.274 1.00 52.58 C ATOM 51 H LEU A 728 -3.278 35.991 52.065 1.00 0.00 H ATOM 52 N TYR A 729 -2.768 32.697 51.670 1.00 44.66 N ATOM 53 CA TYR A 729 -2.676 31.296 51.996 1.00 46.47 C ATOM 54 C TYR A 729 -4.054 30.635 52.046 1.00 44.91 C ATOM 55 O TYR A 729 -4.262 29.570 51.480 1.00 41.99 O ATOM 56 CB TYR A 729 -1.970 31.123 53.333 1.00 49.86 C ATOM 57 CG TYR A 729 -1.806 29.684 53.791 1.00 49.74 C ATOM 58 CD1 TYR A 729 -0.747 28.930 53.370 1.00 48.94 C ATOM 59 CD2 TYR A 729 -2.697 29.110 54.675 1.00 50.91 C ATOM 60 CE1 TYR A 729 -0.578 27.636 53.801 1.00 50.84 C ATOM 61 CE2 TYR A 729 -2.536 27.820 55.111 1.00 52.67 C ATOM 62 CZ TYR A 729 -1.492 27.088 54.671 1.00 52.17 C ATOM 63 OH TYR A 729 -1.369 25.831 55.132 1.00 54.70 O ATOM 64 HH TYR A 729 -0.567 25.411 54.732 1.00 0.00 H ATOM 65 H TYR A 729 -2.347 33.396 52.315 1.00 0.00 H ATOM 66 N SER A 730 -4.991 31.266 52.754 1.00 45.21 N ATOM 67 CA SER A 730 -6.352 30.718 52.897 1.00 45.02 C ATOM 68 C SER A 730 -7.046 30.542 51.574 1.00 43.12 C ATOM 69 O SER A 730 -7.701 29.522 51.345 1.00 42.74 O ATOM 70 CB SER A 730 -7.220 31.638 53.777 1.00 49.56 C ATOM 71 OG SER A 730 -6.594 31.752 55.027 1.00 55.55 O ATOM 72 HG SER A 730 -5.691 32.141 54.908 1.00 0.00 H ATOM 73 H SER A 730 -4.756 32.167 53.217 1.00 0.00 H ATOM 74 N THR A 731 -6.881 31.517 50.687 1.00 41.52 N ATOM 75 CA THR A 731 -7.526 31.480 49.391 1.00 41.33 C ATOM 76 C THR A 731 -6.886 30.399 48.504 1.00 37.85 C ATOM 77 O THR A 731 -7.579 29.617 47.855 1.00 37.12 O ATOM 78 CB THR A 731 -7.354 32.817 48.696 1.00 44.19 C ATOM 79 OG1 THR A 731 -8.047 33.827 49.467 1.00 47.98 O ATOM 80 CG2 THR A 731 -7.916 32.773 47.302 1.00 44.49 C ATOM 81 HG1 THR A 731 -7.662 33.867 50.378 1.00 0.00 H ATOM 82 H THR A 731 -6.274 32.326 50.929 1.00 0.00 H ATOM 83 N LEU A 732 -5.577 30.332 48.524 1.00 39.15 N ATOM 84 CA LEU A 732 -4.895 29.268 47.761 1.00 35.96 C ATOM 85 C LEU A 732 -5.210 27.886 48.264 1.00 36.18 C ATOM 86 O LEU A 732 -5.380 26.945 47.476 1.00 35.51 O ATOM 87 CB LEU A 732 -3.398 29.507 47.737 1.00 36.75 C ATOM 88 CG LEU A 732 -2.926 30.798 47.065 1.00 40.37 C ATOM 89 CD1 LEU A 732 -1.412 30.861 47.071 1.00 39.45 C ATOM 90 CD2 LEU A 732 -3.445 30.916 45.638 1.00 38.50 C ATOM 91 H LEU A 732 -5.024 31.022 49.072 1.00 0.00 H ATOM 92 N LYS A 733 -5.241 27.717 49.570 1.00 37.47 N ATOM 93 CA LYS A 733 -5.573 26.417 50.157 1.00 39.17 C ATOM 94 C LYS A 733 -6.957 25.954 49.696 1.00 38.59 C ATOM 95 O LYS A 733 -7.126 24.775 49.369 1.00 36.96 O ATOM 96 CB LYS A 733 -5.508 26.491 51.672 1.00 41.91 C ATOM 97 CG LYS A 733 -5.727 25.156 52.357 1.00 48.06 C ATOM 98 CD LYS A 733 -5.550 25.337 53.874 1.00 57.11 C ATOM 99 CE LYS A 733 -5.369 23.987 54.536 1.00 66.94 C ATOM 100 NZ LYS A 733 -4.697 24.101 55.866 1.00 77.43 N ATOM 101 HZ1 LYS A 733 -3.758 24.531 55.743 1.00 0.00 H ATOM 102 HZ2 LYS A 733 -5.273 24.697 56.494 1.00 0.00 H ATOM 103 HZ3 LYS A 733 -4.594 23.154 56.283 1.00 0.00 H ATOM 104 H LYS A 733 -5.026 28.520 50.195 1.00 0.00 H ATOM 105 N SER A 734 -7.928 26.867 49.708 1.00 40.81 N ATOM 106 CA SER A 734 -9.292 26.583 49.270 1.00 38.63 C ATOM 107 C SER A 734 -9.311 26.185 47.781 1.00 37.17 C ATOM 108 O SER A 734 -9.888 25.189 47.432 1.00 34.67 O ATOM 109 CB SER A 734 -10.195 27.787 49.501 1.00 42.54 C ATOM 110 OG SER A 734 -11.472 27.631 48.882 1.00 39.93 O ATOM 111 HG SER A 734 -12.023 28.434 49.058 1.00 0.00 H ATOM 112 H SER A 734 -7.704 27.825 50.045 1.00 0.00 H ATOM 113 N ILE A 735 -8.623 26.950 46.952 1.00 37.04 N ATOM 114 CA ILE A 735 -8.624 26.691 45.503 1.00 36.51 C ATOM 115 C ILE A 735 -7.965 25.329 45.257 1.00 33.04 C ATOM 116 O ILE A 735 -8.535 24.477 44.529 1.00 32.94 O ATOM 117 CB ILE A 735 -7.902 27.788 44.730 1.00 37.76 C ATOM 118 CG1 ILE A 735 -8.715 29.085 44.829 1.00 41.22 C ATOM 119 CG2 ILE A 735 -7.699 27.377 43.263 1.00 38.93 C ATOM 120 CD1 ILE A 735 -7.950 30.236 44.242 1.00 43.10 C ATOM 121 H ILE A 735 -8.072 27.748 47.329 1.00 0.00 H ATOM 122 N LEU A 736 -6.824 25.097 45.895 1.00 31.76 N ATOM 123 CA LEU A 736 -6.081 23.827 45.681 1.00 31.80 C ATOM 124 C LEU A 736 -6.888 22.625 46.160 1.00 28.77 C ATOM 125 O LEU A 736 -6.949 21.614 45.479 1.00 30.07 O ATOM 126 CB LEU A 736 -4.707 23.856 46.368 1.00 31.70 C ATOM 127 CG LEU A 736 -3.816 22.660 46.127 1.00 31.27 C ATOM 128 CD1 LEU A 736 -3.577 22.427 44.657 1.00 31.33 C ATOM 129 CD2 LEU A 736 -2.492 22.842 46.890 1.00 33.01 C ATOM 130 H LEU A 736 -6.446 25.810 46.551 1.00 0.00 H ATOM 131 N GLN A 737 -7.561 22.748 47.308 1.00 32.42 N ATOM 132 CA GLN A 737 -8.371 21.645 47.774 1.00 31.60 C ATOM 133 C GLN A 737 -9.575 21.381 46.884 1.00 30.66 C ATOM 134 O GLN A 737 -9.929 20.226 46.697 1.00 32.60 O ATOM 135 CB GLN A 737 -8.730 21.826 49.266 1.00 36.20 C ATOM 136 CG GLN A 737 -7.499 21.661 50.127 1.00 41.71 C ATOM 137 CD GLN A 737 -7.776 21.623 51.606 1.00 48.47 C ATOM 138 OE1 GLN A 737 -8.827 22.046 52.058 1.00 48.64 O ATOM 139 NE2 GLN A 737 -6.810 21.089 52.377 1.00 51.31 N ATOM 140 HE22 GLN A 737 -5.931 20.742 51.943 1.00 0.00 H ATOM 141 HE21 GLN A 737 -6.943 21.024 53.406 1.00 0.00 H ATOM 142 H GLN A 737 -7.503 23.627 47.860 1.00 0.00 H ATOM 143 N GLN A 738 -10.193 22.427 46.308 1.00 28.45 N ATOM 144 CA GLN A 738 -11.281 22.216 45.423 1.00 31.21 C ATOM 145 C GLN A 738 -10.832 21.513 44.116 1.00 31.70 C ATOM 146 O GLN A 738 -11.508 20.609 43.627 1.00 31.04 O ATOM 147 CB GLN A 738 -11.977 23.523 45.111 1.00 32.76 C ATOM 148 CG GLN A 738 -12.759 24.043 46.301 1.00 35.90 C ATOM 149 CD GLN A 738 -13.505 25.336 46.014 1.00 38.36 C ATOM 150 OE1 GLN A 738 -14.450 25.345 45.241 1.00 37.89 O ATOM 151 NE2 GLN A 738 -13.080 26.422 46.656 1.00 42.13 N ATOM 152 HE22 GLN A 738 -12.269 26.359 47.304 1.00 0.00 H ATOM 153 HE21 GLN A 738 -13.559 27.334 46.509 1.00 0.00 H ATOM 154 H GLN A 738 -9.872 23.395 46.512 1.00 0.00 H ATOM 155 N VAL A 739 -9.699 21.952 43.607 1.00 32.26 N ATOM 156 CA VAL A 739 -9.051 21.295 42.428 1.00 29.88 C ATOM 157 C VAL A 739 -8.788 19.815 42.710 1.00 28.93 C ATOM 158 O VAL A 739 -9.170 18.908 41.926 1.00 29.01 O ATOM 159 CB VAL A 739 -7.788 22.077 42.022 1.00 29.34 C ATOM 160 CG1 VAL A 739 -6.976 21.252 41.000 1.00 29.40 C ATOM 161 CG2 VAL A 739 -8.143 23.420 41.462 1.00 30.05 C ATOM 162 H VAL A 739 -9.241 22.780 44.037 1.00 0.00 H ATOM 163 N LYS A 740 -8.176 19.521 43.848 1.00 29.87 N ATOM 164 CA LYS A 740 -7.905 18.154 44.228 1.00 30.41 C ATOM 165 C LYS A 740 -9.108 17.279 44.365 1.00 33.64 C ATOM 166 O LYS A 740 -9.011 16.066 44.128 1.00 33.64 O ATOM 167 CB LYS A 740 -7.076 18.093 45.519 1.00 31.86 C ATOM 168 CG LYS A 740 -5.608 18.478 45.306 1.00 34.21 C ATOM 169 CD LYS A 740 -4.833 18.744 46.578 1.00 38.26 C ATOM 170 CE LYS A 740 -4.330 17.516 47.278 1.00 47.01 C ATOM 171 NZ LYS A 740 -3.985 17.988 48.693 1.00 48.35 N ATOM 172 HZ1 LYS A 740 -3.257 18.729 48.642 1.00 0.00 H ATOM 173 HZ2 LYS A 740 -4.839 18.370 49.148 1.00 0.00 H ATOM 174 HZ3 LYS A 740 -3.625 17.185 49.247 1.00 0.00 H ATOM 175 H LYS A 740 -7.884 20.292 44.482 1.00 0.00 H ATOM 176 N SER A 741 -10.259 17.858 44.797 1.00 32.01 N ATOM 177 CA SER A 741 -11.481 17.069 44.958 1.00 30.99 C ATOM 178 C SER A 741 -12.231 16.787 43.685 1.00 32.46 C ATOM 179 O SER A 741 -13.159 16.010 43.679 1.00 32.92 O ATOM 180 CB SER A 741 -12.446 17.778 45.938 1.00 34.62 C ATOM 181 OG SER A 741 -11.931 17.541 47.259 1.00 41.26 O ATOM 182 HG SER A 741 -11.903 16.566 47.431 1.00 0.00 H ATOM 183 H SER A 741 -10.272 18.875 45.016 1.00 0.00 H ATOM 184 N HIS A 742 -11.853 17.460 42.618 1.00 31.71 N ATOM 185 CA HIS A 742 -12.560 17.384 41.339 1.00 32.93 C ATOM 186 C HIS A 742 -12.397 15.982 40.742 1.00 32.85 C ATOM 187 O HIS A 742 -11.295 15.393 40.863 1.00 31.00 O ATOM 188 CB HIS A 742 -11.986 18.431 40.385 1.00 31.80 C ATOM 189 CG HIS A 742 -12.835 18.703 39.204 1.00 31.03 C ATOM 190 ND1 HIS A 742 -12.890 17.868 38.125 1.00 32.20 N ATOM 191 CD2 HIS A 742 -13.760 19.666 38.976 1.00 34.97 C ATOM 192 CE1 HIS A 742 -13.739 18.348 37.228 1.00 33.42 C ATOM 193 NE2 HIS A 742 -14.292 19.441 37.729 1.00 35.14 N ATOM 194 H HIS A 742 -11.015 18.072 42.687 1.00 0.00 H ATOM 195 N GLN A 743 -13.451 15.500 40.056 1.00 33.09 N ATOM 196 CA GLN A 743 -13.419 14.142 39.544 1.00 37.02 C ATOM 197 C GLN A 743 -12.371 14.007 38.414 1.00 34.22 C ATOM 198 O GLN A 743 -11.937 12.915 38.147 1.00 38.57 O ATOM 199 CB GLN A 743 -14.798 13.644 39.126 1.00 42.73 C ATOM 200 CG GLN A 743 -15.826 13.621 40.277 1.00 46.00 C ATOM 201 CD GLN A 743 -15.722 12.498 41.321 1.00 47.87 C ATOM 202 OE1 GLN A 743 -14.648 12.104 41.804 1.00 49.36 O ATOM 203 NE2 GLN A 743 -16.876 12.045 41.745 1.00 50.99 N ATOM 204 HE22 GLN A 743 -17.759 12.394 41.321 1.00 0.00 H ATOM 205 HE21 GLN A 743 -16.909 11.336 42.506 1.00 0.00 H ATOM 206 H GLN A 743 -14.285 16.099 39.894 1.00 0.00 H ATOM 207 N SER A 744 -11.937 15.115 37.826 1.00 31.45 N ATOM 208 CA SER A 744 -10.868 15.051 36.775 1.00 31.13 C ATOM 209 C SER A 744 -9.447 15.222 37.299 1.00 30.04 C ATOM 210 O SER A 744 -8.480 15.221 36.501 1.00 27.69 O ATOM 211 CB SER A 744 -11.160 16.035 35.653 1.00 35.22 C ATOM 212 OG SER A 744 -12.356 15.590 35.004 1.00 38.17 O ATOM 213 HG SER A 744 -12.215 14.679 34.642 1.00 0.00 H ATOM 214 H SER A 744 -12.341 16.035 38.096 1.00 0.00 H ATOM 215 N ALA A 745 -9.266 15.356 38.619 1.00 27.98 N ATOM 216 CA ALA A 745 -7.955 15.551 39.180 1.00 27.11 C ATOM 217 C ALA A 745 -7.118 14.288 39.326 1.00 27.21 C ATOM 218 O ALA A 745 -5.912 14.372 39.608 1.00 26.40 O ATOM 219 CB ALA A 745 -8.083 16.274 40.527 1.00 27.14 C ATOM 220 H ALA A 745 -10.090 15.318 39.252 1.00 0.00 H ATOM 221 N TRP A 746 -7.737 13.126 39.217 1.00 27.54 N ATOM 222 CA TRP A 746 -7.140 11.873 39.624 1.00 29.60 C ATOM 223 C TRP A 746 -5.774 11.577 38.971 1.00 26.34 C ATOM 224 O TRP A 746 -4.908 10.972 39.634 1.00 24.90 O ATOM 225 CB TRP A 746 -8.108 10.672 39.439 1.00 29.40 C ATOM 226 CG TRP A 746 -8.468 10.323 38.045 1.00 29.88 C ATOM 227 CD1 TRP A 746 -9.534 10.758 37.341 1.00 31.99 C ATOM 228 CD2 TRP A 746 -7.700 9.495 37.132 1.00 28.85 C ATOM 229 NE1 TRP A 746 -9.489 10.252 36.084 1.00 33.28 N ATOM 230 CE2 TRP A 746 -8.377 9.473 35.936 1.00 31.23 C ATOM 231 CE3 TRP A 746 -6.503 8.784 37.248 1.00 31.47 C ATOM 232 CZ2 TRP A 746 -7.907 8.770 34.812 1.00 34.13 C ATOM 233 CZ3 TRP A 746 -6.018 8.107 36.115 1.00 33.30 C ATOM 234 CH2 TRP A 746 -6.735 8.085 34.957 1.00 33.45 C ATOM 235 HE1 TRP A 746 -10.196 10.431 35.343 1.00 0.00 H ATOM 236 H TRP A 746 -8.698 13.112 38.820 1.00 0.00 H ATOM 237 N PRO A 747 -5.561 12.001 37.724 1.00 27.54 N ATOM 238 CA PRO A 747 -4.237 11.717 37.143 1.00 27.78 C ATOM 239 C PRO A 747 -3.080 12.537 37.705 1.00 25.86 C ATOM 240 O PRO A 747 -1.923 12.197 37.462 1.00 27.21 O ATOM 241 CB PRO A 747 -4.389 12.105 35.658 1.00 25.47 C ATOM 242 CG PRO A 747 -5.868 12.188 35.402 1.00 28.69 C ATOM 243 CD PRO A 747 -6.476 12.600 36.710 1.00 26.21 C ATOM 244 N PHE A 748 -3.391 13.598 38.420 1.00 23.00 N ATOM 245 CA PHE A 748 -2.451 14.612 38.782 1.00 24.58 C ATOM 246 C PHE A 748 -2.214 14.665 40.260 1.00 24.62 C ATOM 247 O PHE A 748 -1.528 15.538 40.749 1.00 26.76 O ATOM 248 CB PHE A 748 -2.992 15.998 38.312 1.00 23.64 C ATOM 249 CG PHE A 748 -3.419 16.017 36.885 1.00 25.95 C ATOM 250 CD1 PHE A 748 -2.508 15.796 35.850 1.00 25.30 C ATOM 251 CD2 PHE A 748 -4.745 16.182 36.575 1.00 26.52 C ATOM 252 CE1 PHE A 748 -2.926 15.684 34.535 1.00 23.95 C ATOM 253 CE2 PHE A 748 -5.184 16.117 35.269 1.00 27.27 C ATOM 254 CZ PHE A 748 -4.272 15.863 34.234 1.00 26.67 C ATOM 255 H PHE A 748 -4.375 13.704 38.739 1.00 0.00 H ATOM 256 N MET A 749 -2.724 13.666 40.968 1.00 26.89 N ATOM 257 CA MET A 749 -2.761 13.746 42.446 1.00 28.32 C ATOM 258 C MET A 749 -1.357 13.580 43.100 1.00 28.93 C ATOM 259 O MET A 749 -1.116 14.166 44.185 1.00 29.32 O ATOM 260 CB MET A 749 -3.749 12.728 42.987 1.00 29.26 C ATOM 261 CG MET A 749 -5.196 13.020 42.689 1.00 32.57 C ATOM 262 SD MET A 749 -5.804 14.531 43.399 1.00 37.42 S ATOM 263 CE MET A 749 -5.797 14.100 45.121 1.00 36.92 C ATOM 264 H MET A 749 -3.099 12.825 40.484 1.00 0.00 H ATOM 265 N GLU A 750 -0.468 12.803 42.477 1.00 26.75 N ATOM 266 CA GLU A 750 0.848 12.480 43.043 1.00 29.00 C ATOM 267 C GLU A 750 1.838 12.453 41.906 1.00 26.78 C ATOM 268 O GLU A 750 1.419 12.400 40.736 1.00 27.41 O ATOM 269 CB GLU A 750 0.807 11.095 43.780 1.00 33.95 C ATOM 270 CG GLU A 750 -0.224 11.084 44.853 1.00 39.56 C ATOM 271 CD GLU A 750 -0.076 9.971 45.875 1.00 51.87 C ATOM 272 OE1 GLU A 750 0.284 8.835 45.488 1.00 56.12 O ATOM 273 OE2 GLU A 750 -0.372 10.267 47.055 1.00 57.77 O ATOM 274 H GLU A 750 -0.719 12.408 41.548 1.00 0.00 H ATOM 275 N PRO A 751 3.148 12.469 42.207 1.00 27.74 N ATOM 276 CA PRO A 751 4.144 12.409 41.122 1.00 29.11 C ATOM 277 C PRO A 751 3.898 11.231 40.186 1.00 31.38 C ATOM 278 O PRO A 751 3.508 10.127 40.618 1.00 31.15 O ATOM 279 CB PRO A 751 5.481 12.256 41.868 1.00 30.97 C ATOM 280 CG PRO A 751 5.224 12.945 43.182 1.00 31.89 C ATOM 281 CD PRO A 751 3.800 12.610 43.535 1.00 31.38 C ATOM 282 N VAL A 752 4.075 11.464 38.897 1.00 31.13 N ATOM 283 CA VAL A 752 3.977 10.388 37.911 1.00 32.55 C ATOM 284 C VAL A 752 4.884 9.213 38.325 1.00 34.32 C ATOM 285 O VAL A 752 6.002 9.428 38.800 1.00 34.98 O ATOM 286 CB VAL A 752 4.304 10.912 36.485 1.00 34.04 C ATOM 287 CG1 VAL A 752 4.404 9.786 35.472 1.00 35.21 C ATOM 288 CG2 VAL A 752 3.203 11.891 36.041 1.00 35.12 C ATOM 289 H VAL A 752 4.288 12.431 38.578 1.00 0.00 H ATOM 290 N LYS A 753 4.344 8.018 38.208 1.00 36.43 N ATOM 291 CA LYS A 753 5.030 6.790 38.631 1.00 40.69 C ATOM 292 C LYS A 753 5.771 6.213 37.420 1.00 37.45 C ATOM 293 O LYS A 753 5.204 6.078 36.352 1.00 39.70 O ATOM 294 CB LYS A 753 4.024 5.760 39.167 1.00 44.03 C ATOM 295 CG LYS A 753 3.524 5.998 40.592 1.00 47.44 C ATOM 296 CD LYS A 753 2.592 4.900 41.117 1.00 50.30 C ATOM 297 CE LYS A 753 3.239 3.536 41.074 1.00 52.41 C ATOM 298 NZ LYS A 753 2.523 2.462 41.835 1.00 57.80 N ATOM 299 HZ1 LYS A 753 2.465 2.730 42.838 1.00 0.00 H ATOM 300 HZ2 LYS A 753 1.564 2.346 41.450 1.00 0.00 H ATOM 301 HZ3 LYS A 753 3.045 1.567 41.743 1.00 0.00 H ATOM 302 H LYS A 753 3.391 7.940 37.799 1.00 0.00 H ATOM 303 N ARG A 754 7.059 5.914 37.577 1.00 39.25 N ATOM 304 CA ARG A 754 7.821 5.337 36.403 1.00 41.81 C ATOM 305 C ARG A 754 7.182 4.058 35.952 1.00 42.48 C ATOM 306 O ARG A 754 7.248 3.714 34.755 1.00 41.92 O ATOM 307 CB ARG A 754 9.282 5.082 36.686 1.00 44.77 C ATOM 308 CG ARG A 754 10.123 6.333 36.718 1.00 47.27 C ATOM 309 CD ARG A 754 11.530 5.987 37.181 1.00 50.90 C ATOM 310 NE ARG A 754 11.426 5.457 38.525 1.00 58.67 N ATOM 311 CZ ARG A 754 12.411 5.400 39.406 1.00 62.09 C ATOM 312 NH1 ARG A 754 13.623 5.810 39.072 1.00 64.85 N ATOM 313 NH2 ARG A 754 12.163 4.928 40.640 1.00 61.38 N ATOM 314 HE ARG A 754 10.499 5.091 38.822 1.00 0.00 H ATOM 315 HH12 ARG A 754 14.397 5.765 39.765 1.00 0.00 H ATOM 316 HH11 ARG A 754 13.802 6.178 38.116 1.00 0.00 H ATOM 317 HH22 ARG A 754 12.929 4.878 41.341 1.00 0.00 H ATOM 318 HH21 ARG A 754 11.205 4.613 40.893 1.00 0.00 H ATOM 319 H ARG A 754 7.533 6.074 38.489 1.00 0.00 H ATOM 320 N THR A 755 6.643 3.308 36.903 1.00 42.54 N ATOM 321 CA THR A 755 6.016 2.066 36.557 1.00 48.31 C ATOM 322 C THR A 755 4.882 2.290 35.570 1.00 49.16 C ATOM 323 O THR A 755 4.659 1.471 34.723 1.00 45.99 O ATOM 324 CB THR A 755 5.587 1.258 37.790 1.00 52.44 C ATOM 325 OG1 THR A 755 4.755 2.051 38.642 1.00 55.44 O ATOM 326 CG2 THR A 755 6.798 0.820 38.558 1.00 56.91 C ATOM 327 HG1 THR A 755 3.947 2.332 38.144 1.00 0.00 H ATOM 328 H THR A 755 6.675 3.619 37.895 1.00 0.00 H ATOM 329 N GLU A 756 4.208 3.437 35.610 1.00 49.15 N ATOM 330 CA GLU A 756 3.135 3.719 34.654 1.00 49.27 C ATOM 331 C GLU A 756 3.633 4.426 33.363 1.00 56.53 C ATOM 332 O GLU A 756 3.016 4.343 32.291 1.00 58.03 O ATOM 333 CB GLU A 756 2.014 4.501 35.392 1.00 55.49 C ATOM 334 CG GLU A 756 1.474 3.799 36.643 1.00 54.40 C ATOM 335 CD GLU A 756 0.575 4.686 37.535 1.00 62.67 C ATOM 336 OE1 GLU A 756 0.525 5.891 37.295 1.00 61.05 O ATOM 337 OE2 GLU A 756 -0.081 4.181 38.485 1.00 62.36 O ATOM 338 H GLU A 756 4.448 4.145 36.333 1.00 0.00 H ATOM 339 N ALA A 757 4.822 5.019 33.424 1.00 50.72 N ATOM 340 CA ALA A 757 5.330 5.830 32.362 1.00 48.82 C ATOM 341 C ALA A 757 6.858 5.717 32.346 1.00 42.32 C ATOM 342 O ALA A 757 7.561 6.656 32.728 1.00 40.00 O ATOM 343 CB ALA A 757 4.899 7.258 32.624 1.00 50.52 C ATOM 344 H ALA A 757 5.404 4.888 34.276 1.00 0.00 H ATOM 345 N PRO A 758 7.396 4.560 31.926 1.00 44.08 N ATOM 346 CA PRO A 758 8.805 4.288 32.233 1.00 44.99 C ATOM 347 C PRO A 758 9.806 5.367 31.812 1.00 46.48 C ATOM 348 O PRO A 758 10.769 5.587 32.512 1.00 51.90 O ATOM 349 CB PRO A 758 9.046 2.949 31.519 1.00 48.58 C ATOM 350 CG PRO A 758 7.711 2.255 31.628 1.00 48.03 C ATOM 351 CD PRO A 758 6.691 3.339 31.475 1.00 46.35 C ATOM 352 N GLY A 759 9.598 6.023 30.681 1.00 43.79 N ATOM 353 CA GLY A 759 10.566 7.055 30.225 1.00 46.13 C ATOM 354 C GLY A 759 10.154 8.488 30.505 1.00 44.35 C ATOM 355 O GLY A 759 10.727 9.453 29.983 1.00 43.29 O ATOM 356 H GLY A 759 8.754 5.816 30.109 1.00 0.00 H ATOM 357 N TYR A 760 9.158 8.633 31.352 1.00 39.65 N ATOM 358 CA TYR A 760 8.614 9.979 31.657 1.00 36.58 C ATOM 359 C TYR A 760 9.634 10.980 32.075 1.00 35.20 C ATOM 360 O TYR A 760 9.684 12.116 31.593 1.00 37.11 O ATOM 361 CB TYR A 760 7.552 9.852 32.774 1.00 35.24 C ATOM 362 CG TYR A 760 6.773 11.117 33.013 1.00 32.88 C ATOM 363 CD1 TYR A 760 5.637 11.412 32.267 1.00 32.97 C ATOM 364 CD2 TYR A 760 7.155 12.038 33.982 1.00 33.21 C ATOM 365 CE1 TYR A 760 4.882 12.559 32.509 1.00 30.88 C ATOM 366 CE2 TYR A 760 6.432 13.188 34.192 1.00 31.26 C ATOM 367 CZ TYR A 760 5.288 13.452 33.446 1.00 30.39 C ATOM 368 OH TYR A 760 4.560 14.632 33.685 1.00 28.84 O ATOM 369 HH TYR A 760 3.781 14.667 33.075 1.00 0.00 H ATOM 370 H TYR A 760 8.748 7.796 31.812 1.00 0.00 H ATOM 371 N TYR A 761 10.435 10.606 33.055 1.00 36.71 N ATOM 372 CA TYR A 761 11.374 11.521 33.629 1.00 37.52 C ATOM 373 C TYR A 761 12.603 11.757 32.743 1.00 42.23 C ATOM 374 O TYR A 761 13.313 12.709 32.978 1.00 46.91 O ATOM 375 CB TYR A 761 11.777 11.046 35.029 1.00 40.79 C ATOM 376 CG TYR A 761 10.607 11.174 36.016 1.00 36.15 C ATOM 377 CD1 TYR A 761 10.331 12.373 36.647 1.00 37.29 C ATOM 378 CD2 TYR A 761 9.779 10.089 36.260 1.00 37.77 C ATOM 379 CE1 TYR A 761 9.250 12.503 37.501 1.00 36.69 C ATOM 380 CE2 TYR A 761 8.695 10.183 37.114 1.00 36.27 C ATOM 381 CZ TYR A 761 8.443 11.390 37.756 1.00 35.83 C ATOM 382 OH TYR A 761 7.374 11.525 38.636 1.00 35.75 O ATOM 383 HH TYR A 761 6.528 11.338 38.157 1.00 0.00 H ATOM 384 H TYR A 761 10.383 9.632 33.416 1.00 0.00 H ATOM 385 N GLU A 762 12.740 10.980 31.680 1.00 47.42 N ATOM 386 CA GLU A 762 13.729 11.300 30.626 1.00 58.55 C ATOM 387 C GLU A 762 13.229 12.428 29.734 1.00 55.33 C ATOM 388 O GLU A 762 14.014 13.074 29.068 1.00 57.00 O ATOM 389 CB GLU A 762 14.020 10.073 29.754 1.00 60.26 C ATOM 390 CG GLU A 762 14.394 8.783 30.509 1.00 69.14 C ATOM 391 CD GLU A 762 15.383 8.983 31.647 1.00 74.51 C ATOM 392 OE1 GLU A 762 16.524 8.503 31.511 1.00 80.31 O ATOM 393 OE2 GLU A 762 15.023 9.594 32.679 1.00 80.33 O ATOM 394 H GLU A 762 12.144 10.133 31.584 1.00 0.00 H ATOM 395 N VAL A 763 11.919 12.665 29.738 1.00 47.27 N ATOM 396 CA VAL A 763 11.281 13.574 28.804 1.00 43.74 C ATOM 397 C VAL A 763 10.767 14.857 29.436 1.00 41.60 C ATOM 398 O VAL A 763 10.958 15.947 28.918 1.00 41.50 O ATOM 399 CB VAL A 763 10.118 12.790 28.095 1.00 46.57 C ATOM 400 CG1 VAL A 763 9.119 13.734 27.435 1.00 46.93 C ATOM 401 CG2 VAL A 763 10.705 11.795 27.103 1.00 53.09 C ATOM 402 H VAL A 763 11.327 12.178 30.441 1.00 0.00 H ATOM 403 N ILE A 764 10.097 14.725 30.587 1.00 38.33 N ATOM 404 CA ILE A 764 9.565 15.853 31.318 1.00 36.05 C ATOM 405 C ILE A 764 10.546 16.342 32.331 1.00 36.53 C ATOM 406 O ILE A 764 10.800 15.678 33.335 1.00 39.53 O ATOM 407 CB ILE A 764 8.277 15.420 31.975 1.00 35.74 C ATOM 408 CG1 ILE A 764 7.284 14.991 30.899 1.00 36.03 C ATOM 409 CG2 ILE A 764 7.706 16.495 32.904 1.00 32.98 C ATOM 410 CD1 ILE A 764 6.800 16.107 30.006 1.00 39.62 C ATOM 411 H ILE A 764 9.953 13.770 30.972 1.00 0.00 H ATOM 412 N ARG A 765 11.057 17.542 32.108 1.00 38.56 N ATOM 413 CA ARG A 765 12.168 18.078 32.908 1.00 43.81 C ATOM 414 C ARG A 765 11.715 18.782 34.158 1.00 40.66 C ATOM 415 O ARG A 765 12.495 18.916 35.093 1.00 42.41 O ATOM 416 CB ARG A 765 13.011 19.038 32.068 1.00 50.89 C ATOM 417 CG ARG A 765 13.743 18.341 30.916 1.00 62.67 C ATOM 418 CD ARG A 765 14.563 17.180 31.448 1.00 68.95 C ATOM 419 NE ARG A 765 15.361 16.494 30.462 1.00 83.56 N ATOM 420 CZ ARG A 765 16.135 15.462 30.782 1.00 94.11 C ATOM 421 NH1 ARG A 765 16.870 14.874 29.853 1.00 98.72 N ATOM 422 NH2 ARG A 765 16.167 15.016 32.041 1.00 95.27 N ATOM 423 HE ARG A 765 15.330 16.816 29.473 1.00 0.00 H ATOM 424 HH12 ARG A 765 17.476 14.066 30.103 1.00 0.00 H ATOM 425 HH11 ARG A 765 16.842 15.219 28.872 1.00 0.00 H ATOM 426 HH22 ARG A 765 16.773 14.208 32.291 1.00 0.00 H ATOM 427 HH21 ARG A 765 15.586 15.476 32.771 1.00 0.00 H ATOM 428 H ARG A 765 10.660 18.124 31.343 1.00 0.00 H ATOM 429 N PHE A 766 10.469 19.277 34.181 1.00 36.82 N ATOM 430 CA PHE A 766 9.947 19.907 35.369 1.00 33.98 C ATOM 431 C PHE A 766 8.635 19.238 35.790 1.00 32.05 C ATOM 432 O PHE A 766 7.577 19.853 35.683 1.00 31.30 O ATOM 433 CB PHE A 766 9.684 21.374 35.126 1.00 36.66 C ATOM 434 CG PHE A 766 10.900 22.124 34.660 1.00 44.07 C ATOM 435 CD1 PHE A 766 11.824 22.614 35.592 1.00 47.49 C ATOM 436 CD2 PHE A 766 11.118 22.331 33.335 1.00 46.54 C ATOM 437 CE1 PHE A 766 12.962 23.300 35.181 1.00 54.49 C ATOM 438 CE2 PHE A 766 12.254 23.023 32.902 1.00 55.60 C ATOM 439 CZ PHE A 766 13.181 23.493 33.829 1.00 52.96 C ATOM 440 H PHE A 766 9.872 19.206 33.332 1.00 0.00 H ATOM 441 N PRO A 767 8.718 18.032 36.347 1.00 33.31 N ATOM 442 CA PRO A 767 7.487 17.365 36.863 1.00 30.13 C ATOM 443 C PRO A 767 6.797 18.178 37.911 1.00 29.24 C ATOM 444 O PRO A 767 7.431 18.915 38.706 1.00 30.35 O ATOM 445 CB PRO A 767 7.984 16.058 37.485 1.00 33.12 C ATOM 446 CG PRO A 767 9.477 16.231 37.603 1.00 39.09 C ATOM 447 CD PRO A 767 9.936 17.225 36.580 1.00 35.71 C ATOM 448 N MET A 768 5.472 18.098 37.942 1.00 26.93 N ATOM 449 CA MET A 768 4.705 18.747 38.990 1.00 25.32 C ATOM 450 C MET A 768 3.396 17.992 39.149 1.00 24.97 C ATOM 451 O MET A 768 2.905 17.408 38.201 1.00 26.19 O ATOM 452 CB MET A 768 4.432 20.239 38.645 1.00 26.84 C ATOM 453 CG MET A 768 3.812 21.085 39.732 1.00 28.34 C ATOM 454 SD MET A 768 4.558 20.985 41.372 1.00 30.17 S ATOM 455 CE MET A 768 6.215 21.472 40.997 1.00 31.39 C ATOM 456 H MET A 768 4.975 17.561 37.203 1.00 0.00 H ATOM 457 N ASP A 769 2.831 18.071 40.339 1.00 25.44 N ATOM 458 CA ASP A 769 1.644 17.313 40.734 1.00 24.56 C ATOM 459 C ASP A 769 1.003 18.024 41.939 1.00 27.02 C ATOM 460 O ASP A 769 1.646 18.878 42.585 1.00 27.14 O ATOM 461 CB ASP A 769 2.021 15.882 41.084 1.00 25.27 C ATOM 462 CG ASP A 769 2.908 15.812 42.311 1.00 27.51 C ATOM 463 OD1 ASP A 769 4.134 15.994 42.198 1.00 28.08 O ATOM 464 OD2 ASP A 769 2.340 15.672 43.428 1.00 27.48 O ATOM 465 H ASP A 769 3.256 18.712 41.039 1.00 0.00 H ATOM 466 N LEU A 770 -0.209 17.615 42.283 1.00 25.70 N ATOM 467 CA LEU A 770 -0.976 18.294 43.291 1.00 26.87 C ATOM 468 C LEU A 770 -0.496 17.995 44.697 1.00 28.95 C ATOM 469 O LEU A 770 -0.784 18.782 45.598 1.00 29.67 O ATOM 470 CB LEU A 770 -2.467 17.994 43.131 1.00 29.04 C ATOM 471 CG LEU A 770 -3.055 18.377 41.744 1.00 28.49 C ATOM 472 CD1 LEU A 770 -4.465 17.860 41.557 1.00 29.17 C ATOM 473 CD2 LEU A 770 -3.027 19.891 41.598 1.00 30.65 C ATOM 474 H LEU A 770 -0.616 16.782 41.812 1.00 0.00 H ATOM 475 N LYS A 771 0.111 16.845 44.924 1.00 28.73 N ATOM 476 CA LYS A 771 0.706 16.552 46.273 1.00 33.03 C ATOM 477 C LYS A 771 1.903 17.472 46.520 1.00 32.20 C ATOM 478 O LYS A 771 2.039 18.093 47.572 1.00 31.78 O ATOM 479 CB LYS A 771 1.066 15.087 46.384 1.00 32.39 C ATOM 480 CG LYS A 771 1.751 14.689 47.740 1.00 41.17 C ATOM 481 CD LYS A 771 1.833 13.177 47.850 1.00 46.84 C ATOM 482 CE LYS A 771 2.135 12.764 49.294 1.00 58.96 C ATOM 483 NZ LYS A 771 2.824 11.452 49.356 1.00 66.28 N ATOM 484 HZ1 LYS A 771 2.219 10.723 48.926 1.00 0.00 H ATOM 485 HZ2 LYS A 771 3.723 11.509 48.836 1.00 0.00 H ATOM 486 HZ3 LYS A 771 3.011 11.207 50.349 1.00 0.00 H ATOM 487 H LYS A 771 0.178 16.137 44.165 1.00 0.00 H ATOM 488 N THR A 772 2.764 17.567 45.535 1.00 29.93 N ATOM 489 CA THR A 772 3.868 18.490 45.586 1.00 29.85 C ATOM 490 C THR A 772 3.357 19.904 45.790 1.00 30.03 C ATOM 491 O THR A 772 3.900 20.628 46.620 1.00 31.14 O ATOM 492 CB THR A 772 4.739 18.379 44.310 1.00 30.23 C ATOM 493 OG1 THR A 772 5.283 17.072 44.245 1.00 29.28 O ATOM 494 CG2 THR A 772 5.827 19.358 44.340 1.00 31.97 C ATOM 495 HG1 THR A 772 5.838 16.907 45.048 1.00 0.00 H ATOM 496 H THR A 772 2.647 16.962 44.698 1.00 0.00 H ATOM 497 N MET A 773 2.291 20.341 45.099 1.00 27.64 N ATOM 498 CA MET A 773 1.739 21.663 45.389 1.00 28.97 C ATOM 499 C MET A 773 1.211 21.820 46.804 1.00 30.16 C ATOM 500 O MET A 773 1.385 22.877 47.443 1.00 30.97 O ATOM 501 CB MET A 773 0.672 22.071 44.360 1.00 28.67 C ATOM 502 CG MET A 773 1.254 22.149 42.952 1.00 29.46 C ATOM 503 SD MET A 773 0.043 22.886 41.805 1.00 29.73 S ATOM 504 CE MET A 773 -0.203 24.486 42.530 1.00 30.14 C ATOM 505 H MET A 773 1.862 19.744 44.364 1.00 0.00 H ATOM 506 N SER A 774 0.585 20.774 47.316 1.00 30.05 N ATOM 507 CA SER A 774 0.035 20.819 48.674 1.00 32.02 C ATOM 508 C SER A 774 1.163 21.028 49.687 1.00 33.58 C ATOM 509 O SER A 774 1.015 21.782 50.639 1.00 36.15 O ATOM 510 CB SER A 774 -0.703 19.514 48.968 1.00 32.93 C ATOM 511 OG SER A 774 -1.904 19.445 48.156 1.00 36.07 O ATOM 512 HG SER A 774 -1.656 19.476 47.198 1.00 0.00 H ATOM 513 H SER A 774 0.482 19.909 46.748 1.00 0.00 H ATOM 514 N GLU A 775 2.266 20.333 49.487 1.00 33.90 N ATOM 515 CA GLU A 775 3.443 20.495 50.345 1.00 34.93 C ATOM 516 C GLU A 775 4.062 21.880 50.177 1.00 35.70 C ATOM 517 O GLU A 775 4.391 22.539 51.205 1.00 36.32 O ATOM 518 CB GLU A 775 4.490 19.363 50.114 1.00 36.26 C ATOM 519 CG GLU A 775 3.958 17.989 50.472 1.00 37.95 C ATOM 520 CD GLU A 775 3.751 17.811 51.983 1.00 46.69 C ATOM 521 OE1 GLU A 775 4.496 18.382 52.792 1.00 46.47 O ATOM 522 OE2 GLU A 775 2.801 17.132 52.356 1.00 47.77 O ATOM 523 H GLU A 775 2.301 19.653 48.701 1.00 0.00 H ATOM 524 N ARG A 776 4.246 22.350 48.925 1.00 32.69 N ATOM 525 CA ARG A 776 4.733 23.706 48.674 1.00 33.58 C ATOM 526 C ARG A 776 3.865 24.744 49.416 1.00 35.50 C ATOM 527 O ARG A 776 4.389 25.654 50.014 1.00 38.66 O ATOM 528 CB ARG A 776 4.779 24.029 47.166 1.00 32.62 C ATOM 529 CG ARG A 776 5.956 23.342 46.497 1.00 31.74 C ATOM 530 CD ARG A 776 6.058 23.570 44.999 1.00 32.39 C ATOM 531 NE ARG A 776 7.299 23.038 44.511 1.00 31.85 N ATOM 532 CZ ARG A 776 7.990 23.495 43.466 1.00 35.12 C ATOM 533 NH1 ARG A 776 7.517 24.464 42.674 1.00 33.57 N ATOM 534 NH2 ARG A 776 9.153 22.932 43.190 1.00 35.71 N ATOM 535 HE ARG A 776 7.695 22.222 45.019 1.00 0.00 H ATOM 536 HH12 ARG A 776 8.081 24.798 41.867 1.00 0.00 H ATOM 537 HH11 ARG A 776 6.585 24.883 42.866 1.00 0.00 H ATOM 538 HH22 ARG A 776 9.714 23.267 42.381 1.00 0.00 H ATOM 539 HH21 ARG A 776 9.507 22.153 43.782 1.00 0.00 H ATOM 540 H ARG A 776 4.036 21.731 48.116 1.00 0.00 H ATOM 541 N LEU A 777 2.537 24.575 49.382 1.00 34.73 N ATOM 542 CA LEU A 777 1.629 25.505 50.015 1.00 34.45 C ATOM 543 C LEU A 777 1.895 25.479 51.527 1.00 38.09 C ATOM 544 O LEU A 777 2.002 26.534 52.166 1.00 41.83 O ATOM 545 CB LEU A 777 0.196 25.098 49.705 1.00 36.12 C ATOM 546 CG LEU A 777 -0.902 25.882 50.457 1.00 37.87 C ATOM 547 CD1 LEU A 777 -0.884 27.302 49.936 1.00 37.50 C ATOM 548 CD2 LEU A 777 -2.269 25.239 50.208 1.00 41.15 C ATOM 549 H LEU A 777 2.147 23.749 48.885 1.00 0.00 H ATOM 550 N LYS A 778 1.955 24.280 52.077 1.00 37.67 N ATOM 551 CA LYS A 778 2.162 24.094 53.526 1.00 43.74 C ATOM 552 C LYS A 778 3.508 24.681 53.965 1.00 44.15 C ATOM 553 O LYS A 778 3.633 25.225 55.060 1.00 43.67 O ATOM 554 CB LYS A 778 2.069 22.617 53.827 1.00 45.96 C ATOM 555 CG LYS A 778 2.455 22.257 55.229 1.00 58.06 C ATOM 556 CD LYS A 778 2.161 20.811 55.559 1.00 64.72 C ATOM 557 CE LYS A 778 2.394 20.583 57.044 1.00 72.22 C ATOM 558 NZ LYS A 778 2.404 19.133 57.338 1.00 76.31 N ATOM 559 HZ1 LYS A 778 1.489 18.719 57.067 1.00 0.00 H ATOM 560 HZ2 LYS A 778 3.166 18.676 56.797 1.00 0.00 H ATOM 561 HZ3 LYS A 778 2.564 18.988 58.355 1.00 0.00 H ATOM 562 H LYS A 778 1.853 23.441 51.470 1.00 0.00 H ATOM 563 N ASN A 779 4.489 24.637 53.086 1.00 40.90 N ATOM 564 CA ASN A 779 5.808 25.217 53.333 1.00 44.24 C ATOM 565 C ASN A 779 5.922 26.720 53.007 1.00 43.96 C ATOM 566 O ASN A 779 7.035 27.260 52.978 1.00 45.07 O ATOM 567 CB ASN A 779 6.873 24.421 52.596 1.00 41.40 C ATOM 568 CG ASN A 779 7.021 22.989 53.127 1.00 43.80 C ATOM 569 OD1 ASN A 779 6.850 22.738 54.309 1.00 44.48 O ATOM 570 ND2 ASN A 779 7.321 22.042 52.234 1.00 43.37 N ATOM 571 HD22 ASN A 779 7.459 22.295 51.235 1.00 0.00 H ATOM 572 HD21 ASN A 779 7.416 21.052 52.538 1.00 0.00 H ATOM 573 H ASN A 779 4.317 24.168 52.174 1.00 0.00 H ATOM 574 N ARG A 780 4.795 27.378 52.787 1.00 43.66 N ATOM 575 CA ARG A 780 4.748 28.811 52.545 1.00 44.81 C ATOM 576 C ARG A 780 5.543 29.288 51.344 1.00 44.70 C ATOM 577 O ARG A 780 6.051 30.412 51.309 1.00 45.27 O ATOM 578 CB ARG A 780 5.149 29.542 53.838 1.00 51.42 C ATOM 579 CG ARG A 780 4.211 29.175 54.985 1.00 54.41 C ATOM 580 CD ARG A 780 2.885 29.858 54.754 1.00 59.49 C ATOM 581 NE ARG A 780 1.892 29.635 55.797 1.00 68.93 N ATOM 582 CZ ARG A 780 0.987 30.539 56.196 1.00 69.01 C ATOM 583 NH1 ARG A 780 0.132 30.216 57.144 1.00 79.72 N ATOM 584 NH2 ARG A 780 0.930 31.765 55.672 1.00 67.33 N ATOM 585 HE ARG A 780 1.885 28.707 56.266 1.00 0.00 H ATOM 586 HH12 ARG A 780 -0.576 30.908 57.464 1.00 0.00 H ATOM 587 HH11 ARG A 780 0.165 29.269 57.573 1.00 0.00 H ATOM 588 HH22 ARG A 780 0.214 32.441 56.007 1.00 0.00 H ATOM 589 HH21 ARG A 780 1.602 32.045 54.929 1.00 0.00 H ATOM 590 H ARG A 780 3.902 26.846 52.787 1.00 0.00 H ATOM 591 N TYR A 781 5.594 28.428 50.318 1.00 41.83 N ATOM 592 CA TYR A 781 6.242 28.770 49.072 1.00 40.74 C ATOM 593 C TYR A 781 5.448 29.778 48.253 1.00 40.48 C ATOM 594 O TYR A 781 6.033 30.613 47.579 1.00 43.17 O ATOM 595 CB TYR A 781 6.477 27.503 48.239 1.00 36.92 C ATOM 596 CG TYR A 781 7.020 27.748 46.842 1.00 36.98 C ATOM 597 CD1 TYR A 781 8.313 28.185 46.638 1.00 37.33 C ATOM 598 CD2 TYR A 781 6.232 27.473 45.715 1.00 37.01 C ATOM 599 CE1 TYR A 781 8.819 28.396 45.345 1.00 39.14 C ATOM 600 CE2 TYR A 781 6.735 27.642 44.434 1.00 36.90 C ATOM 601 CZ TYR A 781 8.036 28.105 44.271 1.00 38.95 C ATOM 602 OH TYR A 781 8.504 28.286 42.999 1.00 41.44 O ATOM 603 HH TYR A 781 9.437 28.616 43.036 1.00 0.00 H ATOM 604 H TYR A 781 5.156 27.490 50.421 1.00 0.00 H ATOM 605 N TYR A 782 4.130 29.663 48.267 1.00 37.62 N ATOM 606 CA TYR A 782 3.304 30.439 47.364 1.00 36.94 C ATOM 607 C TYR A 782 3.021 31.824 47.956 1.00 40.43 C ATOM 608 O TYR A 782 1.937 32.087 48.416 1.00 39.36 O ATOM 609 CB TYR A 782 2.010 29.691 47.053 1.00 36.98 C ATOM 610 CG TYR A 782 2.252 28.389 46.282 1.00 34.92 C ATOM 611 CD1 TYR A 782 2.892 28.395 45.038 1.00 36.97 C ATOM 612 CD2 TYR A 782 1.798 27.178 46.775 1.00 35.40 C ATOM 613 CE1 TYR A 782 3.090 27.219 44.343 1.00 33.20 C ATOM 614 CE2 TYR A 782 2.019 26.015 46.102 1.00 33.73 C ATOM 615 CZ TYR A 782 2.650 26.041 44.882 1.00 32.07 C ATOM 616 OH TYR A 782 2.862 24.855 44.266 1.00 32.90 O ATOM 617 HH TYR A 782 3.321 25.010 43.403 1.00 0.00 H ATOM 618 H TYR A 782 3.680 29.006 48.936 1.00 0.00 H ATOM 619 N VAL A 783 4.018 32.693 47.861 1.00 40.88 N ATOM 620 CA VAL A 783 3.917 34.044 48.328 1.00 44.25 C ATOM 621 C VAL A 783 3.233 34.981 47.331 1.00 43.35 C ATOM 622 O VAL A 783 3.012 36.139 47.657 1.00 44.73 O ATOM 623 CB VAL A 783 5.293 34.630 48.731 1.00 46.45 C ATOM 624 CG1 VAL A 783 5.852 33.863 49.944 1.00 48.21 C ATOM 625 CG2 VAL A 783 6.263 34.660 47.566 1.00 45.52 C ATOM 626 H VAL A 783 4.911 32.381 47.429 1.00 0.00 H ATOM 627 N SER A 784 2.932 34.484 46.134 1.00 42.41 N ATOM 628 CA SER A 784 2.224 35.234 45.097 1.00 42.65 C ATOM 629 C SER A 784 1.309 34.324 44.293 1.00 42.29 C ATOM 630 O SER A 784 1.518 33.121 44.207 1.00 40.19 O ATOM 631 CB SER A 784 3.228 35.887 44.122 1.00 46.59 C ATOM 632 OG SER A 784 3.862 34.890 43.307 1.00 44.03 O ATOM 633 HG SER A 784 4.501 35.327 42.690 1.00 0.00 H ATOM 634 H SER A 784 3.217 33.506 45.924 1.00 0.00 H ATOM 635 N LYS A 785 0.307 34.929 43.685 1.00 41.70 N ATOM 636 CA LYS A 785 -0.538 34.256 42.723 1.00 41.57 C ATOM 637 C LYS A 785 0.289 33.668 41.578 1.00 40.82 C ATOM 638 O LYS A 785 0.054 32.536 41.139 1.00 39.57 O ATOM 639 CB LYS A 785 -1.569 35.252 42.131 1.00 42.33 C ATOM 640 CG LYS A 785 -2.217 34.718 40.840 1.00 44.77 C ATOM 641 CD LYS A 785 -3.170 35.738 40.219 1.00 47.86 C ATOM 642 CE LYS A 785 -3.855 35.186 38.980 1.00 48.58 C ATOM 643 NZ LYS A 785 -4.727 36.180 38.327 1.00 50.46 N ATOM 644 HZ1 LYS A 785 -5.465 36.483 38.994 1.00 0.00 H ATOM 645 HZ2 LYS A 785 -4.159 37.002 38.040 1.00 0.00 H ATOM 646 HZ3 LYS A 785 -5.170 35.753 37.488 1.00 0.00 H ATOM 647 H LYS A 785 0.117 35.927 43.906 1.00 0.00 H ATOM 648 N LYS A 786 1.260 34.437 41.116 1.00 40.70 N ATOM 649 CA LYS A 786 2.072 34.041 39.979 1.00 44.11 C ATOM 650 C LYS A 786 2.756 32.676 40.198 1.00 37.93 C ATOM 651 O LYS A 786 2.807 31.830 39.283 1.00 36.90 O ATOM 652 CB LYS A 786 3.111 35.132 39.787 1.00 48.71 C ATOM 653 CG LYS A 786 4.103 34.922 38.689 1.00 57.96 C ATOM 654 CD LYS A 786 5.084 36.092 38.632 1.00 65.40 C ATOM 655 CE LYS A 786 5.988 35.967 37.401 1.00 75.44 C ATOM 656 NZ LYS A 786 6.899 37.146 37.204 1.00 81.54 N ATOM 657 HZ1 LYS A 786 6.328 38.007 37.086 1.00 0.00 H ATOM 658 HZ2 LYS A 786 7.516 37.249 38.035 1.00 0.00 H ATOM 659 HZ3 LYS A 786 7.481 36.995 36.355 1.00 0.00 H ATOM 660 H LYS A 786 1.447 35.349 41.579 1.00 0.00 H ATOM 661 N LEU A 787 3.284 32.457 41.396 1.00 38.35 N ATOM 662 CA LEU A 787 4.033 31.226 41.678 1.00 38.17 C ATOM 663 C LEU A 787 3.084 30.024 41.695 1.00 36.12 C ATOM 664 O LEU A 787 3.435 28.942 41.241 1.00 34.61 O ATOM 665 CB LEU A 787 4.747 31.307 43.009 1.00 39.94 C ATOM 666 CG LEU A 787 5.992 32.191 43.004 1.00 42.92 C ATOM 667 CD1 LEU A 787 6.415 32.494 44.433 1.00 44.83 C ATOM 668 CD2 LEU A 787 7.122 31.557 42.238 1.00 42.12 C ATOM 669 H LEU A 787 3.165 33.168 42.146 1.00 0.00 H ATOM 670 N PHE A 788 1.890 30.237 42.234 1.00 33.44 N ATOM 671 CA PHE A 788 0.862 29.186 42.326 1.00 34.35 C ATOM 672 C PHE A 788 0.326 28.832 40.950 1.00 34.00 C ATOM 673 O PHE A 788 0.240 27.667 40.600 1.00 30.93 O ATOM 674 CB PHE A 788 -0.267 29.646 43.230 1.00 36.67 C ATOM 675 CG PHE A 788 -1.374 28.617 43.457 1.00 35.58 C ATOM 676 CD1 PHE A 788 -1.288 27.707 44.462 1.00 33.88 C ATOM 677 CD2 PHE A 788 -2.540 28.674 42.711 1.00 38.66 C ATOM 678 CE1 PHE A 788 -2.307 26.788 44.689 1.00 33.13 C ATOM 679 CE2 PHE A 788 -3.577 27.801 42.940 1.00 40.17 C ATOM 680 CZ PHE A 788 -3.463 26.844 43.923 1.00 38.00 C ATOM 681 H PHE A 788 1.672 31.183 42.606 1.00 0.00 H ATOM 682 N MET A 789 0.022 29.834 40.139 1.00 32.58 N ATOM 683 CA MET A 789 -0.425 29.583 38.789 1.00 34.89 C ATOM 684 C MET A 789 0.649 28.855 37.979 1.00 35.28 C ATOM 685 O MET A 789 0.314 28.031 37.140 1.00 32.42 O ATOM 686 CB MET A 789 -0.695 30.909 38.059 1.00 38.99 C ATOM 687 CG MET A 789 -1.618 31.865 38.773 1.00 46.64 C ATOM 688 SD MET A 789 -3.278 31.261 38.672 1.00 46.77 S ATOM 689 CE MET A 789 -3.657 31.649 36.952 1.00 42.22 C ATOM 690 H MET A 789 0.106 30.813 40.479 1.00 0.00 H ATOM 691 N ALA A 790 1.910 29.225 38.142 1.00 34.27 N ATOM 692 CA ALA A 790 2.978 28.585 37.344 1.00 34.61 C ATOM 693 C ALA A 790 3.036 27.083 37.636 1.00 31.48 C ATOM 694 O ALA A 790 3.204 26.265 36.715 1.00 31.99 O ATOM 695 CB ALA A 790 4.327 29.254 37.614 1.00 35.88 C ATOM 696 H ALA A 790 2.149 29.966 38.831 1.00 0.00 H ATOM 697 N ASP A 791 2.849 26.701 38.902 1.00 30.90 N ATOM 698 CA ASP A 791 2.948 25.293 39.257 1.00 29.18 C ATOM 699 C ASP A 791 1.732 24.489 38.742 1.00 28.13 C ATOM 700 O ASP A 791 1.896 23.414 38.134 1.00 26.58 O ATOM 701 CB ASP A 791 3.140 25.100 40.764 1.00 29.54 C ATOM 702 CG ASP A 791 4.591 25.303 41.229 1.00 30.93 C ATOM 703 OD1 ASP A 791 5.494 25.623 40.385 1.00 31.29 O ATOM 704 OD2 ASP A 791 4.803 25.192 42.454 1.00 33.02 O ATOM 705 H ASP A 791 2.633 27.409 39.633 1.00 0.00 H ATOM 706 N LEU A 792 0.536 24.996 38.946 1.00 28.72 N ATOM 707 CA LEU A 792 -0.628 24.308 38.422 1.00 28.91 C ATOM 708 C LEU A 792 -0.582 24.263 36.888 1.00 28.84 C ATOM 709 O LEU A 792 -0.890 23.265 36.250 1.00 28.51 O ATOM 710 CB LEU A 792 -1.878 24.930 38.979 1.00 32.37 C ATOM 711 CG LEU A 792 -3.239 24.162 38.939 1.00 42.81 C ATOM 712 CD1 LEU A 792 -3.120 22.698 38.846 1.00 39.13 C ATOM 713 CD2 LEU A 792 -4.091 24.483 40.209 1.00 49.56 C ATOM 714 H LEU A 792 0.426 25.883 39.478 1.00 0.00 H ATOM 715 N GLN A 793 -0.235 25.384 36.265 1.00 28.56 N ATOM 716 CA GLN A 793 -0.152 25.386 34.823 1.00 30.09 C ATOM 717 C GLN A 793 0.882 24.372 34.303 1.00 28.37 C ATOM 718 O GLN A 793 0.659 23.716 33.282 1.00 29.87 O ATOM 719 CB GLN A 793 0.103 26.789 34.298 1.00 34.28 C ATOM 720 CG GLN A 793 -0.152 26.934 32.812 1.00 36.11 C ATOM 721 CD GLN A 793 -1.540 26.479 32.304 1.00 37.09 C ATOM 722 OE1 GLN A 793 -2.667 26.928 32.728 1.00 35.81 O ATOM 723 NE2 GLN A 793 -1.458 25.556 31.392 1.00 34.13 N ATOM 724 HE22 GLN A 793 -0.526 25.219 31.075 1.00 0.00 H ATOM 725 HE21 GLN A 793 -2.324 25.155 30.979 1.00 0.00 H ATOM 726 H GLN A 793 -0.026 26.247 36.807 1.00 0.00 H ATOM 727 N ARG A 794 1.975 24.148 35.020 1.00 27.81 N ATOM 728 CA ARG A 794 2.954 23.149 34.672 1.00 29.60 C ATOM 729 C ARG A 794 2.427 21.711 34.723 1.00 28.86 C ATOM 730 O ARG A 794 2.773 20.869 33.905 1.00 27.56 O ATOM 731 CB ARG A 794 4.214 23.304 35.536 1.00 30.71 C ATOM 732 CG ARG A 794 5.246 22.242 35.336 1.00 33.16 C ATOM 733 CD ARG A 794 6.013 22.399 34.023 1.00 36.99 C ATOM 734 NE ARG A 794 6.866 23.565 34.089 1.00 40.28 N ATOM 735 CZ ARG A 794 7.606 24.025 33.101 1.00 43.57 C ATOM 736 NH1 ARG A 794 7.558 23.494 31.873 1.00 42.78 N ATOM 737 NH2 ARG A 794 8.382 25.077 33.343 1.00 45.25 N ATOM 738 HE ARG A 794 6.898 24.083 34.990 1.00 0.00 H ATOM 739 HH12 ARG A 794 8.156 23.881 31.115 1.00 0.00 H ATOM 740 HH11 ARG A 794 6.923 22.694 31.677 1.00 0.00 H ATOM 741 HH22 ARG A 794 8.980 25.467 32.587 1.00 0.00 H ATOM 742 HH21 ARG A 794 8.391 25.510 34.289 1.00 0.00 H ATOM 743 H ARG A 794 2.133 24.720 35.874 1.00 0.00 H ATOM 744 N VAL A 795 1.521 21.446 35.638 1.00 27.54 N ATOM 745 CA VAL A 795 0.880 20.123 35.669 1.00 25.68 C ATOM 746 C VAL A 795 0.202 19.888 34.319 1.00 26.39 C ATOM 747 O VAL A 795 0.308 18.817 33.687 1.00 25.55 O ATOM 748 CB VAL A 795 -0.165 20.100 36.807 1.00 25.04 C ATOM 749 CG1 VAL A 795 -1.000 18.844 36.692 1.00 26.42 C ATOM 750 CG2 VAL A 795 0.502 20.212 38.174 1.00 26.35 C ATOM 751 H VAL A 795 1.259 22.170 36.337 1.00 0.00 H ATOM 752 N PHE A 796 -0.531 20.925 33.875 1.00 26.06 N ATOM 753 CA PHE A 796 -1.266 20.836 32.612 1.00 24.86 C ATOM 754 C PHE A 796 -0.363 20.771 31.383 1.00 25.71 C ATOM 755 O PHE A 796 -0.613 19.955 30.502 1.00 26.61 O ATOM 756 CB PHE A 796 -2.295 21.953 32.461 1.00 26.33 C ATOM 757 CG PHE A 796 -3.302 22.019 33.583 1.00 27.81 C ATOM 758 CD1 PHE A 796 -3.895 20.881 34.102 1.00 29.05 C ATOM 759 CD2 PHE A 796 -3.674 23.263 34.084 1.00 29.83 C ATOM 760 CE1 PHE A 796 -4.816 20.976 35.140 1.00 33.79 C ATOM 761 CE2 PHE A 796 -4.585 23.346 35.104 1.00 29.98 C ATOM 762 CZ PHE A 796 -5.145 22.215 35.632 1.00 29.99 C ATOM 763 H PHE A 796 -0.576 21.800 34.435 1.00 0.00 H ATOM 764 N THR A 797 0.678 21.585 31.341 1.00 27.22 N ATOM 765 CA THR A 797 1.580 21.602 30.181 1.00 28.69 C ATOM 766 C THR A 797 2.375 20.307 30.094 1.00 27.19 C ATOM 767 O THR A 797 2.547 19.765 28.962 1.00 28.64 O ATOM 768 CB THR A 797 2.427 22.878 30.092 1.00 31.18 C ATOM 769 OG1 THR A 797 3.284 22.977 31.232 1.00 34.69 O ATOM 770 CG2 THR A 797 1.515 24.099 30.104 1.00 32.50 C ATOM 771 HG1 THR A 797 3.826 23.803 31.165 1.00 0.00 H ATOM 772 H THR A 797 0.861 22.223 32.141 1.00 0.00 H ATOM 773 N ASN A 798 2.813 19.777 31.226 1.00 26.41 N ATOM 774 CA ASN A 798 3.469 18.456 31.220 1.00 27.04 C ATOM 775 C ASN A 798 2.544 17.422 30.598 1.00 25.37 C ATOM 776 O ASN A 798 2.973 16.598 29.772 1.00 26.65 O ATOM 777 CB ASN A 798 3.873 18.002 32.625 1.00 25.42 C ATOM 778 CG ASN A 798 5.011 18.807 33.190 1.00 27.77 C ATOM 779 OD1 ASN A 798 5.691 19.563 32.471 1.00 29.46 O ATOM 780 ND2 ASN A 798 5.242 18.679 34.477 1.00 27.76 N ATOM 781 HD22 ASN A 798 4.655 18.039 35.049 1.00 0.00 H ATOM 782 HD21 ASN A 798 6.011 19.218 34.923 1.00 0.00 H ATOM 783 H ASN A 798 2.694 20.293 32.121 1.00 0.00 H ATOM 784 N CYS A 799 1.271 17.439 31.020 1.00 25.00 N ATOM 785 CA CYS A 799 0.325 16.458 30.569 1.00 24.77 C ATOM 786 C CYS A 799 0.157 16.546 29.048 1.00 26.95 C ATOM 787 O CYS A 799 0.123 15.535 28.361 1.00 27.25 O ATOM 788 CB CYS A 799 -1.007 16.613 31.317 1.00 27.25 C ATOM 789 SG CYS A 799 -2.280 15.445 30.773 1.00 27.77 S ATOM 790 H CYS A 799 0.964 18.176 31.686 1.00 0.00 H ATOM 791 N LYS A 800 0.013 17.780 28.537 1.00 25.87 N ATOM 792 CA LYS A 800 -0.249 17.968 27.099 1.00 28.33 C ATOM 793 C LYS A 800 1.017 17.712 26.263 1.00 27.53 C ATOM 794 O LYS A 800 0.938 17.322 25.092 1.00 29.82 O ATOM 795 CB LYS A 800 -0.818 19.347 26.898 1.00 27.24 C ATOM 796 CG LYS A 800 -2.148 19.557 27.529 1.00 28.56 C ATOM 797 CD LYS A 800 -2.573 20.994 27.523 1.00 28.73 C ATOM 798 CE LYS A 800 -3.959 21.150 28.065 1.00 30.42 C ATOM 799 NZ LYS A 800 -4.359 22.542 28.203 1.00 32.24 N ATOM 800 HZ1 LYS A 800 -3.707 23.026 28.853 1.00 0.00 H ATOM 801 HZ2 LYS A 800 -4.328 23.004 27.272 1.00 0.00 H ATOM 802 HZ3 LYS A 800 -5.326 22.587 28.582 1.00 0.00 H ATOM 803 H LYS A 800 0.087 18.609 29.161 1.00 0.00 H ATOM 804 N GLU A 801 2.186 17.954 26.824 1.00 28.01 N ATOM 805 CA GLU A 801 3.457 17.605 26.174 1.00 30.42 C ATOM 806 C GLU A 801 3.643 16.108 26.081 1.00 32.67 C ATOM 807 O GLU A 801 4.172 15.559 25.070 1.00 32.15 O ATOM 808 CB GLU A 801 4.684 18.182 26.884 1.00 33.70 C ATOM 809 CG GLU A 801 4.883 19.719 26.835 1.00 36.36 C ATOM 810 CD GLU A 801 6.055 20.139 27.750 1.00 41.31 C ATOM 811 OE1 GLU A 801 6.964 19.286 28.027 1.00 49.65 O ATOM 812 OE2 GLU A 801 6.070 21.249 28.276 1.00 41.27 O ATOM 813 H GLU A 801 2.209 18.408 27.759 1.00 0.00 H ATOM 814 N TYR A 802 3.254 15.406 27.128 1.00 30.17 N ATOM 815 CA TYR A 802 3.503 14.011 27.149 1.00 32.15 C ATOM 816 C TYR A 802 2.484 13.139 26.420 1.00 32.09 C ATOM 817 O TYR A 802 2.884 12.123 25.825 1.00 35.00 O ATOM 818 CB TYR A 802 3.688 13.543 28.607 1.00 30.69 C ATOM 819 CG TYR A 802 4.387 12.227 28.709 1.00 31.82 C ATOM 820 CD1 TYR A 802 5.785 12.151 28.574 1.00 35.70 C ATOM 821 CD2 TYR A 802 3.683 11.052 28.944 1.00 38.22 C ATOM 822 CE1 TYR A 802 6.448 10.921 28.593 1.00 40.27 C ATOM 823 CE2 TYR A 802 4.337 9.798 28.980 1.00 40.29 C ATOM 824 CZ TYR A 802 5.708 9.741 28.800 1.00 40.04 C ATOM 825 OH TYR A 802 6.395 8.541 28.856 1.00 52.99 O ATOM 826 HH TYR A 802 7.359 8.707 28.704 1.00 0.00 H ATOM 827 H TYR A 802 2.772 15.869 27.925 1.00 0.00 H ATOM 828 N ASN A 803 1.199 13.475 26.514 1.00 30.80 N ATOM 829 CA ASN A 803 0.110 12.622 26.111 1.00 31.55 C ATOM 830 C ASN A 803 -0.588 13.142 24.829 1.00 32.72 C ATOM 831 O ASN A 803 -0.682 14.362 24.624 1.00 31.26 O ATOM 832 CB ASN A 803 -0.916 12.523 27.210 1.00 30.15 C ATOM 833 CG ASN A 803 -0.340 11.977 28.471 1.00 32.16 C ATOM 834 OD1 ASN A 803 -0.032 10.779 28.528 1.00 35.22 O ATOM 835 ND2 ASN A 803 -0.118 12.817 29.440 1.00 26.99 N ATOM 836 HD22 ASN A 803 -0.398 13.814 29.339 1.00 0.00 H ATOM 837 HD21 ASN A 803 0.339 12.492 30.316 1.00 0.00 H ATOM 838 H ASN A 803 0.967 14.411 26.902 1.00 0.00 H ATOM 839 N PRO A 804 -1.096 12.217 23.996 1.00 36.83 N ATOM 840 CA PRO A 804 -1.930 12.618 22.842 1.00 37.98 C ATOM 841 C PRO A 804 -3.304 13.268 23.228 1.00 34.84 C ATOM 842 O PRO A 804 -3.838 12.999 24.320 1.00 36.16 O ATOM 843 CB PRO A 804 -2.153 11.305 22.064 1.00 42.58 C ATOM 844 CG PRO A 804 -1.684 10.192 22.940 1.00 40.94 C ATOM 845 CD PRO A 804 -0.991 10.743 24.153 1.00 39.02 C ATOM 846 N PRO A 805 -3.849 14.141 22.370 1.00 35.49 N ATOM 847 CA PRO A 805 -4.992 15.004 22.664 1.00 37.11 C ATOM 848 C PRO A 805 -6.290 14.259 22.962 1.00 44.06 C ATOM 849 O PRO A 805 -7.166 14.816 23.618 1.00 50.72 O ATOM 850 CB PRO A 805 -5.139 15.847 21.404 1.00 41.17 C ATOM 851 CG PRO A 805 -4.421 15.108 20.325 1.00 40.18 C ATOM 852 CD PRO A 805 -3.277 14.438 21.039 1.00 39.12 C ATOM 853 N GLU A 806 -6.405 13.043 22.485 1.00 43.51 N ATOM 854 CA GLU A 806 -7.630 12.320 22.684 1.00 55.03 C ATOM 855 C GLU A 806 -7.442 11.266 23.814 1.00 50.78 C ATOM 856 O GLU A 806 -8.336 10.490 24.081 1.00 48.83 O ATOM 857 CB GLU A 806 -8.202 11.799 21.332 1.00 60.24 C ATOM 858 CG GLU A 806 -8.292 12.847 20.152 1.00 62.30 C ATOM 859 CD GLU A 806 -9.043 14.158 20.475 1.00 61.35 C ATOM 860 OE1 GLU A 806 -10.133 14.115 21.078 1.00 62.91 O ATOM 861 OE2 GLU A 806 -8.526 15.260 20.168 1.00 51.91 O ATOM 862 H GLU A 806 -5.616 12.606 21.967 1.00 0.00 H ATOM 863 N SER A 807 -6.290 11.305 24.521 1.00 41.62 N ATOM 864 CA SER A 807 -6.104 10.512 25.705 1.00 40.17 C ATOM 865 C SER A 807 -6.982 11.063 26.816 1.00 37.03 C ATOM 866 O SER A 807 -7.325 12.232 26.848 1.00 36.04 O ATOM 867 CB SER A 807 -4.665 10.469 26.164 1.00 38.08 C ATOM 868 OG SER A 807 -4.250 11.757 26.656 1.00 35.33 O ATOM 869 HG SER A 807 -4.336 12.428 25.934 1.00 0.00 H ATOM 870 H SER A 807 -5.519 11.925 24.200 1.00 0.00 H ATOM 871 N GLU A 808 -7.391 10.178 27.713 1.00 36.66 N ATOM 872 CA GLU A 808 -8.131 10.583 28.873 1.00 35.80 C ATOM 873 C GLU A 808 -7.349 11.599 29.721 1.00 31.63 C ATOM 874 O GLU A 808 -7.957 12.531 30.257 1.00 30.89 O ATOM 875 CB GLU A 808 -8.489 9.345 29.719 1.00 38.55 C ATOM 876 CG GLU A 808 -9.397 9.718 30.860 1.00 42.59 C ATOM 877 CD GLU A 808 -10.819 10.058 30.413 1.00 46.34 C ATOM 878 OE1 GLU A 808 -11.534 10.706 31.198 1.00 50.03 O ATOM 879 OE2 GLU A 808 -11.202 9.761 29.277 1.00 43.91 O ATOM 880 H GLU A 808 -7.171 9.171 27.573 1.00 0.00 H ATOM 881 N TYR A 809 -6.030 11.484 29.784 1.00 28.93 N ATOM 882 CA TYR A 809 -5.236 12.453 30.569 1.00 28.87 C ATOM 883 C TYR A 809 -5.359 13.868 30.029 1.00 28.82 C ATOM 884 O TYR A 809 -5.541 14.828 30.797 1.00 26.29 O ATOM 885 CB TYR A 809 -3.769 12.073 30.590 1.00 30.11 C ATOM 886 CG TYR A 809 -3.540 10.696 31.126 1.00 31.88 C ATOM 887 CD1 TYR A 809 -3.983 10.331 32.384 1.00 32.87 C ATOM 888 CD2 TYR A 809 -2.871 9.779 30.372 1.00 39.21 C ATOM 889 CE1 TYR A 809 -3.759 9.035 32.881 1.00 36.25 C ATOM 890 CE2 TYR A 809 -2.653 8.510 30.846 1.00 43.22 C ATOM 891 CZ TYR A 809 -3.094 8.158 32.078 1.00 43.58 C ATOM 892 OH TYR A 809 -2.828 6.876 32.475 1.00 59.59 O ATOM 893 HH TYR A 809 -3.193 6.731 33.384 1.00 0.00 H ATOM 894 H TYR A 809 -5.552 10.710 29.280 1.00 0.00 H ATOM 895 N TYR A 810 -5.180 14.015 28.707 1.00 28.00 N ATOM 896 CA TYR A 810 -5.310 15.309 28.087 1.00 29.48 C ATOM 897 C TYR A 810 -6.714 15.873 28.343 1.00 27.41 C ATOM 898 O TYR A 810 -6.862 17.066 28.702 1.00 29.36 O ATOM 899 CB TYR A 810 -4.983 15.176 26.601 1.00 29.41 C ATOM 900 CG TYR A 810 -4.659 16.481 25.856 1.00 30.19 C ATOM 901 CD1 TYR A 810 -5.616 17.467 25.721 1.00 31.75 C ATOM 902 CD2 TYR A 810 -3.395 16.688 25.275 1.00 31.29 C ATOM 903 CE1 TYR A 810 -5.339 18.676 25.006 1.00 31.73 C ATOM 904 CE2 TYR A 810 -3.097 17.883 24.581 1.00 31.74 C ATOM 905 CZ TYR A 810 -4.070 18.882 24.454 1.00 33.08 C ATOM 906 OH TYR A 810 -3.872 20.158 23.801 1.00 34.93 O ATOM 907 HH TYR A 810 -4.710 20.684 23.845 1.00 0.00 H ATOM 908 H TYR A 810 -4.945 13.186 28.124 1.00 0.00 H ATOM 909 N LYS A 811 -7.737 15.016 28.187 1.00 29.62 N ATOM 910 CA LYS A 811 -9.112 15.445 28.373 1.00 32.08 C ATOM 911 C LYS A 811 -9.299 15.963 29.818 1.00 32.99 C ATOM 912 O LYS A 811 -9.911 17.021 30.042 1.00 31.61 O ATOM 913 CB LYS A 811 -10.091 14.321 28.083 1.00 35.89 C ATOM 914 CG LYS A 811 -10.204 13.960 26.597 1.00 42.37 C ATOM 915 CD LYS A 811 -11.250 12.844 26.386 1.00 50.87 C ATOM 916 CE LYS A 811 -10.880 11.938 25.217 1.00 58.19 C ATOM 917 NZ LYS A 811 -11.435 10.532 25.395 1.00 60.56 N ATOM 918 HZ1 LYS A 811 -11.049 10.116 26.267 1.00 0.00 H ATOM 919 HZ2 LYS A 811 -12.472 10.576 25.460 1.00 0.00 H ATOM 920 HZ3 LYS A 811 -11.162 9.947 24.580 1.00 0.00 H ATOM 921 H LYS A 811 -7.541 14.028 27.928 1.00 0.00 H ATOM 922 N CYS A 812 -8.797 15.184 30.788 1.00 30.77 N ATOM 923 CA CYS A 812 -8.845 15.610 32.180 1.00 29.71 C ATOM 924 C CYS A 812 -8.136 16.928 32.406 1.00 27.75 C ATOM 925 O CYS A 812 -8.609 17.771 33.165 1.00 26.89 O ATOM 926 CB CYS A 812 -8.227 14.542 33.127 1.00 30.19 C ATOM 927 SG CYS A 812 -9.287 13.079 33.343 1.00 34.03 S ATOM 928 H CYS A 812 -8.370 14.268 30.544 1.00 0.00 H ATOM 929 N ALA A 813 -6.955 17.094 31.835 1.00 26.86 N ATOM 930 CA ALA A 813 -6.247 18.348 31.975 1.00 26.80 C ATOM 931 C ALA A 813 -7.110 19.569 31.576 1.00 27.42 C ATOM 932 O ALA A 813 -7.136 20.552 32.276 1.00 27.00 O ATOM 933 CB ALA A 813 -4.909 18.331 31.253 1.00 28.20 C ATOM 934 H ALA A 813 -6.533 16.320 31.283 1.00 0.00 H ATOM 935 N ASN A 814 -7.761 19.494 30.418 1.00 29.14 N ATOM 936 CA ASN A 814 -8.555 20.625 29.951 1.00 30.80 C ATOM 937 C ASN A 814 -9.828 20.883 30.770 1.00 30.08 C ATOM 938 O ASN A 814 -10.157 22.063 31.013 1.00 30.53 O ATOM 939 CB ASN A 814 -8.886 20.460 28.504 1.00 31.70 C ATOM 940 CG ASN A 814 -7.811 21.086 27.569 1.00 30.66 C ATOM 941 OD1 ASN A 814 -6.989 21.858 27.979 1.00 33.41 O ATOM 942 ND2 ASN A 814 -7.911 20.768 26.301 1.00 32.39 N ATOM 943 HD22 ASN A 814 -8.639 20.094 25.990 1.00 0.00 H ATOM 944 HD21 ASN A 814 -7.262 21.190 25.606 1.00 0.00 H ATOM 945 H ASN A 814 -7.704 18.628 29.845 1.00 0.00 H ATOM 946 N ILE A 815 -10.431 19.807 31.269 1.00 29.94 N ATOM 947 CA ILE A 815 -11.614 19.926 32.134 1.00 30.11 C ATOM 948 C ILE A 815 -11.146 20.612 33.445 1.00 28.11 C ATOM 949 O ILE A 815 -11.813 21.510 33.966 1.00 28.51 O ATOM 950 CB ILE A 815 -12.271 18.563 32.414 1.00 31.93 C ATOM 951 CG1 ILE A 815 -12.955 18.023 31.141 1.00 33.77 C ATOM 952 CG2 ILE A 815 -13.287 18.672 33.539 1.00 34.04 C ATOM 953 CD1 ILE A 815 -13.345 16.576 31.199 1.00 37.57 C ATOM 954 H ILE A 815 -10.058 18.863 31.043 1.00 0.00 H ATOM 955 N LEU A 816 -10.075 20.091 34.040 1.00 28.25 N ATOM 956 CA LEU A 816 -9.608 20.607 35.330 1.00 27.19 C ATOM 957 C LEU A 816 -9.095 22.010 35.212 1.00 29.68 C ATOM 958 O LEU A 816 -9.293 22.826 36.097 1.00 27.95 O ATOM 959 CB LEU A 816 -8.558 19.683 35.919 1.00 26.86 C ATOM 960 CG LEU A 816 -8.209 19.935 37.388 1.00 27.79 C ATOM 961 CD1 LEU A 816 -9.440 19.651 38.256 1.00 30.11 C ATOM 962 CD2 LEU A 816 -7.007 19.043 37.797 1.00 26.66 C ATOM 963 H LEU A 816 -9.564 19.309 33.584 1.00 0.00 H ATOM 964 N GLU A 817 -8.434 22.343 34.092 1.00 27.10 N ATOM 965 CA GLU A 817 -8.021 23.708 33.849 1.00 29.87 C ATOM 966 C GLU A 817 -9.221 24.685 33.796 1.00 30.66 C ATOM 967 O GLU A 817 -9.150 25.720 34.415 1.00 31.92 O ATOM 968 CB GLU A 817 -7.186 23.813 32.541 1.00 29.26 C ATOM 969 CG GLU A 817 -6.703 25.198 32.190 1.00 30.53 C ATOM 970 CD GLU A 817 -5.932 25.181 30.845 1.00 31.17 C ATOM 971 OE1 GLU A 817 -6.359 24.490 29.911 1.00 31.86 O ATOM 972 OE2 GLU A 817 -4.886 25.869 30.726 1.00 35.92 O ATOM 973 H GLU A 817 -8.216 21.609 33.389 1.00 0.00 H ATOM 974 N LYS A 818 -10.279 24.358 33.067 1.00 32.08 N ATOM 975 CA LYS A 818 -11.490 25.178 33.084 1.00 33.50 C ATOM 976 C LYS A 818 -11.973 25.444 34.499 1.00 32.99 C ATOM 977 O LYS A 818 -12.260 26.568 34.851 1.00 33.10 O ATOM 978 CB LYS A 818 -12.649 24.509 32.332 1.00 36.30 C ATOM 979 CG LYS A 818 -12.563 24.561 30.838 1.00 38.50 C ATOM 980 CD LYS A 818 -13.810 23.920 30.259 1.00 41.36 C ATOM 981 CE LYS A 818 -13.844 24.010 28.750 1.00 41.67 C ATOM 982 NZ LYS A 818 -15.075 23.317 28.266 1.00 43.56 N ATOM 983 HZ1 LYS A 818 -15.050 22.321 28.564 1.00 0.00 H ATOM 984 HZ2 LYS A 818 -15.914 23.780 28.670 1.00 0.00 H ATOM 985 HZ3 LYS A 818 -15.115 23.369 27.228 1.00 0.00 H ATOM 986 H LYS A 818 -10.247 23.505 32.473 1.00 0.00 H ATOM 987 N PHE A 819 -12.018 24.377 35.292 1.00 33.35 N ATOM 988 CA PHE A 819 -12.494 24.446 36.678 1.00 32.94 C ATOM 989 C PHE A 819 -11.567 25.346 37.518 1.00 32.17 C ATOM 990 O PHE A 819 -12.048 26.238 38.227 1.00 34.68 O ATOM 991 CB PHE A 819 -12.635 23.046 37.240 1.00 32.27 C ATOM 992 CG PHE A 819 -13.050 23.012 38.685 1.00 34.08 C ATOM 993 CD1 PHE A 819 -14.382 23.157 39.035 1.00 35.43 C ATOM 994 CD2 PHE A 819 -12.095 22.847 39.697 1.00 33.73 C ATOM 995 CE1 PHE A 819 -14.775 23.102 40.390 1.00 36.44 C ATOM 996 CE2 PHE A 819 -12.478 22.813 41.045 1.00 36.49 C ATOM 997 CZ PHE A 819 -13.826 22.942 41.382 1.00 37.34 C ATOM 998 H PHE A 819 -11.704 23.460 34.916 1.00 0.00 H ATOM 999 N PHE A 820 -10.277 25.150 37.376 1.00 31.33 N ATOM 1000 CA PHE A 820 -9.250 25.969 38.025 1.00 32.70 C ATOM 1001 C PHE A 820 -9.442 27.439 37.725 1.00 33.41 C ATOM 1002 O PHE A 820 -9.496 28.277 38.641 1.00 34.93 O ATOM 1003 CB PHE A 820 -7.899 25.495 37.564 1.00 35.37 C ATOM 1004 CG PHE A 820 -6.780 26.447 37.810 1.00 37.61 C ATOM 1005 CD1 PHE A 820 -6.383 26.751 39.087 1.00 43.37 C ATOM 1006 CD2 PHE A 820 -6.080 26.997 36.716 1.00 44.47 C ATOM 1007 CE1 PHE A 820 -5.265 27.582 39.280 1.00 49.03 C ATOM 1008 CE2 PHE A 820 -4.977 27.806 36.913 1.00 47.50 C ATOM 1009 CZ PHE A 820 -4.586 28.107 38.202 1.00 45.32 C ATOM 1010 H PHE A 820 -9.965 24.367 36.767 1.00 0.00 H ATOM 1011 N PHE A 821 -9.560 27.789 36.449 1.00 34.44 N ATOM 1012 CA PHE A 821 -9.732 29.201 36.111 1.00 35.27 C ATOM 1013 C PHE A 821 -11.018 29.800 36.725 1.00 37.87 C ATOM 1014 O PHE A 821 -11.034 30.949 37.149 1.00 40.66 O ATOM 1015 CB PHE A 821 -9.606 29.440 34.601 1.00 36.88 C ATOM 1016 CG PHE A 821 -8.196 29.379 34.095 1.00 33.51 C ATOM 1017 CD1 PHE A 821 -7.225 30.169 34.641 1.00 35.43 C ATOM 1018 CD2 PHE A 821 -7.844 28.565 33.031 1.00 34.38 C ATOM 1019 CE1 PHE A 821 -5.926 30.149 34.149 1.00 35.87 C ATOM 1020 CE2 PHE A 821 -6.539 28.545 32.524 1.00 33.63 C ATOM 1021 CZ PHE A 821 -5.580 29.310 33.118 1.00 35.00 C ATOM 1022 H PHE A 821 -9.530 27.068 35.700 1.00 0.00 H ATOM 1023 N SER A 822 -12.100 29.014 36.752 1.00 39.21 N ATOM 1024 CA SER A 822 -13.337 29.487 37.326 1.00 42.43 C ATOM 1025 C SER A 822 -13.152 29.758 38.824 1.00 43.68 C ATOM 1026 O SER A 822 -13.673 30.770 39.330 1.00 44.88 O ATOM 1027 CB SER A 822 -14.504 28.551 36.991 1.00 44.40 C ATOM 1028 OG SER A 822 -14.849 28.727 35.612 1.00 47.79 O ATOM 1029 HG SER A 822 -15.603 28.127 35.382 1.00 0.00 H ATOM 1030 H SER A 822 -12.050 28.054 36.356 1.00 0.00 H ATOM 1031 N LYS A 823 -12.390 28.903 39.498 1.00 40.75 N ATOM 1032 CA LYS A 823 -12.078 29.129 40.916 1.00 43.89 C ATOM 1033 C LYS A 823 -11.176 30.314 41.182 1.00 42.61 C ATOM 1034 O LYS A 823 -11.451 31.079 42.104 1.00 46.26 O ATOM 1035 CB LYS A 823 -11.520 27.876 41.570 1.00 42.01 C ATOM 1036 CG LYS A 823 -12.496 26.705 41.489 1.00 46.12 C ATOM 1037 CD LYS A 823 -13.705 27.064 42.303 1.00 48.43 C ATOM 1038 CE LYS A 823 -15.009 26.514 41.797 1.00 53.27 C ATOM 1039 NZ LYS A 823 -15.969 26.707 42.934 1.00 58.15 N ATOM 1040 HZ1 LYS A 823 -15.627 26.187 43.767 1.00 0.00 H ATOM 1041 HZ2 LYS A 823 -16.038 27.720 43.160 1.00 0.00 H ATOM 1042 HZ3 LYS A 823 -16.906 26.347 42.660 1.00 0.00 H ATOM 1043 H LYS A 823 -12.010 28.064 39.016 1.00 0.00 H ATOM 1044 N ILE A 824 -10.161 30.520 40.357 1.00 44.03 N ATOM 1045 CA ILE A 824 -9.348 31.772 40.415 1.00 45.93 C ATOM 1046 C ILE A 824 -10.239 33.042 40.281 1.00 47.17 C ATOM 1047 O ILE A 824 -10.064 34.028 40.987 1.00 51.76 O ATOM 1048 CB ILE A 824 -8.255 31.805 39.313 1.00 44.32 C ATOM 1049 CG1 ILE A 824 -7.213 30.710 39.544 1.00 43.42 C ATOM 1050 CG2 ILE A 824 -7.622 33.217 39.153 1.00 45.47 C ATOM 1051 CD1 ILE A 824 -6.306 30.911 40.747 1.00 45.16 C ATOM 1052 H ILE A 824 -9.924 29.793 39.652 1.00 0.00 H ATOM 1053 N LYS A 825 -11.177 33.007 39.348 1.00 47.64 N ATOM 1054 CA LYS A 825 -12.058 34.146 39.108 1.00 50.61 C ATOM 1055 C LYS A 825 -13.068 34.339 40.252 1.00 54.70 C ATOM 1056 O LYS A 825 -13.264 35.447 40.729 1.00 52.13 O ATOM 1057 CB LYS A 825 -12.775 33.975 37.786 1.00 54.95 C ATOM 1058 CG LYS A 825 -13.496 35.226 37.280 1.00 63.15 C ATOM 1059 CD LYS A 825 -13.718 35.132 35.777 1.00 71.09 C ATOM 1060 CE LYS A 825 -13.658 36.470 35.032 1.00 75.59 C ATOM 1061 NZ LYS A 825 -14.517 37.509 35.656 1.00 73.82 N ATOM 1062 HZ1 LYS A 825 -15.506 37.186 35.655 1.00 0.00 H ATOM 1063 HZ2 LYS A 825 -14.205 37.673 36.635 1.00 0.00 H ATOM 1064 HZ3 LYS A 825 -14.439 38.393 35.113 1.00 0.00 H ATOM 1065 H LYS A 825 -11.289 32.148 38.772 1.00 0.00 H ATOM 1066 N GLU A 826 -13.699 33.257 40.666 1.00 53.75 N ATOM 1067 CA GLU A 826 -14.629 33.284 41.767 1.00 58.26 C ATOM 1068 C GLU A 826 -13.971 33.894 43.033 1.00 60.50 C ATOM 1069 O GLU A 826 -14.600 34.659 43.726 1.00 64.60 O ATOM 1070 CB GLU A 826 -15.150 31.873 41.981 1.00 58.83 C ATOM 1071 CG GLU A 826 -16.065 31.647 43.165 1.00 69.04 C ATOM 1072 CD GLU A 826 -16.579 30.216 43.201 1.00 75.92 C ATOM 1073 OE1 GLU A 826 -16.099 29.384 42.397 1.00 83.69 O ATOM 1074 OE2 GLU A 826 -17.485 29.918 44.004 1.00 78.63 O ATOM 1075 H GLU A 826 -13.519 32.354 40.182 1.00 0.00 H ATOM 1076 N ALA A 827 -12.691 33.610 43.274 1.00 59.50 N ATOM 1077 CA ALA A 827 -11.946 34.137 44.439 1.00 60.56 C ATOM 1078 C ALA A 827 -11.392 35.569 44.263 1.00 60.78 C ATOM 1079 O ALA A 827 -10.826 36.129 45.194 1.00 64.80 O ATOM 1080 CB ALA A 827 -10.807 33.177 44.819 1.00 57.85 C ATOM 1081 H ALA A 827 -12.190 32.986 42.609 1.00 0.00 H ATOM 1082 N GLY A 828 -11.540 36.159 43.083 1.00 59.27 N ATOM 1083 CA GLY A 828 -11.021 37.500 42.831 1.00 61.57 C ATOM 1084 C GLY A 828 -9.509 37.590 42.873 1.00 62.24 C ATOM 1085 O GLY A 828 -8.950 38.679 42.993 1.00 62.08 O ATOM 1086 H GLY A 828 -12.037 35.655 42.321 1.00 0.00 H ATOM 1087 N LEU A 829 -8.842 36.450 42.721 1.00 58.06 N ATOM 1088 CA LEU A 829 -7.391 36.416 42.871 1.00 61.29 C ATOM 1089 C LEU A 829 -6.637 37.170 41.770 1.00 60.09 C ATOM 1090 O LEU A 829 -6.747 36.845 40.571 1.00 59.11 O ATOM 1091 CB LEU A 829 -6.881 34.979 42.915 1.00 60.71 C ATOM 1092 CG LEU A 829 -5.547 34.700 43.593 1.00 64.88 C ATOM 1093 CD1 LEU A 829 -5.558 35.164 45.039 1.00 69.60 C ATOM 1094 CD2 LEU A 829 -5.279 33.209 43.486 1.00 65.54 C ATOM 1095 H LEU A 829 -9.358 35.576 42.494 1.00 0.00 H ATOM 1096 N ILE A 830 -5.762 38.058 42.238 1.00 58.16 N ATOM 1097 CA ILE A 830 -4.997 39.010 41.426 1.00 62.47 C ATOM 1098 C ILE A 830 -3.556 39.076 41.982 1.00 62.84 C ATOM 1099 O ILE A 830 -3.334 38.667 43.120 1.00 66.71 O ATOM 1100 CB ILE A 830 -5.653 40.418 41.486 1.00 70.54 C ATOM 1101 CG1 ILE A 830 -5.930 40.819 42.948 1.00 71.34 C ATOM 1102 CG2 ILE A 830 -6.957 40.425 40.697 1.00 72.37 C ATOM 1103 CD1 ILE A 830 -6.383 42.253 43.132 1.00 76.32 C ATOM 1104 H ILE A 830 -5.608 38.078 43.266 1.00 0.00 H ATOM 1105 N ASP A 831 -2.570 39.573 41.223 1.00 65.75 N ATOM 1106 CA ASP A 831 -1.170 39.448 41.699 1.00 66.94 C ATOM 1107 C ASP A 831 -0.873 40.533 42.736 1.00 69.88 C ATOM 1108 O ASP A 831 -1.566 41.541 42.814 1.00 74.00 O ATOM 1109 CB ASP A 831 -0.154 39.456 40.531 1.00 64.78 C ATOM 1110 CG ASP A 831 1.176 38.701 40.861 1.00 62.81 C ATOM 1111 OD1 ASP A 831 1.161 37.532 41.359 1.00 46.86 O ATOM 1112 OD2 ASP A 831 2.252 39.296 40.578 1.00 63.31 O ATOM 1113 H ASP A 831 -2.782 40.038 40.317 1.00 0.00 H TER 1114 ASP A 831 HETATM 1115 O HOH 1 -10.254 13.621 46.190 1.00 67.08 O HETATM 1116 O HOH 2 -10.981 8.551 27.353 1.00 52.90 O HETATM 1117 O HOH 3 -9.033 16.192 24.026 1.00 44.24 O HETATM 1118 O HOH 4 1.453 8.092 37.553 1.00 45.33 O HETATM 1119 O HOH 5 -2.819 24.318 29.815 1.00 38.66 O HETATM 1120 O HOH 6 -12.893 13.714 33.546 1.00 43.94 O HETATM 1121 O HOH 7 6.128 35.893 42.954 1.00 52.90 O HETATM 1122 O HOH 8 -3.306 38.534 37.833 1.00 48.56 O HETATM 1123 O HOH 9 -13.312 28.868 33.590 1.00 35.56 O HETATM 1124 O HOH 10 15.369 4.944 40.709 1.00 47.97 O HETATM 1125 O HOH 11 11.253 7.741 33.786 1.00 45.67 O HETATM 1126 O HOH 12 -5.469 9.439 41.607 1.00 39.49 O HETATM 1127 O HOH 13 5.639 21.517 30.809 1.00 34.04 O HETATM 1128 O HOH 14 -16.616 26.138 38.706 1.00 56.35 O HETATM 1129 O HOH 15 2.793 5.383 29.535 1.00 57.67 O HETATM 1130 O HOH 16 6.865 15.979 45.967 1.00 36.82 O HETATM 1131 O HOH 17 2.170 14.670 32.679 1.00 25.75 O HETATM 1132 O HOH 18 -8.665 28.160 53.332 1.00 52.72 O HETATM 1133 O HOH 19 5.894 15.756 40.294 1.00 30.25 O HETATM 1134 O HOH 20 -2.329 14.921 46.365 1.00 37.99 O HETATM 1135 O HOH 21 0.621 31.130 50.523 1.00 43.76 O HETATM 1136 O HOH 22 7.274 3.715 39.984 1.00 48.19 O HETATM 1137 O HOH 23 3.853 25.399 32.037 1.00 40.60 O HETATM 1138 O HOH 24 -12.270 13.216 31.018 1.00 52.01 O HETATM 1139 O HOH 25 8.539 31.317 47.964 1.00 44.08 O HETATM 1140 O HOH 26 -17.608 20.292 45.352 1.00 37.28 O HETATM 1141 O HOH 27 -15.687 31.206 35.200 1.00 69.61 O HETATM 1142 O HOH 28 4.344 16.033 35.926 1.00 29.85 O HETATM 1143 O HOH 29 10.419 30.117 42.777 1.00 53.50 O HETATM 1144 O HOH 30 6.284 28.112 40.949 1.00 49.01 O HETATM 1145 O HOH 31 8.877 20.409 29.521 1.00 44.91 O HETATM 1146 O HOH 32 12.763 14.979 35.017 1.00 46.29 O HETATM 1147 O HOH 33 4.345 26.892 34.369 1.00 36.89 O HETATM 1148 O HOH 34 1.418 15.531 36.988 1.00 31.35 O HETATM 1149 O HOH 35 8.325 17.386 26.690 1.00 52.50 O HETATM 1150 O HOH 36 0.830 16.302 34.499 1.00 27.06 O HETATM 1151 O HOH 37 7.426 32.291 52.671 1.00 60.52 O HETATM 1152 O HOH 38 -13.462 11.004 28.424 1.00 59.68 O HETATM 1153 O HOH 39 0.692 13.185 38.237 1.00 27.43 O HETATM 1154 O HOH 40 2.983 9.171 45.655 1.00 67.32 O HETATM 1155 O HOH 41 4.024 8.920 43.008 1.00 38.76 O HETATM 1156 O HOH 42 -9.053 24.105 29.575 1.00 30.38 O HETATM 1157 O HOH 43 -9.321 24.702 52.485 1.00 49.12 O HETATM 1158 O HOH 44 -11.400 17.826 27.861 1.00 31.25 O HETATM 1159 O HOH 45 2.552 32.405 36.593 1.00 46.85 O HETATM 1160 O HOH 46 -9.060 36.885 39.040 1.00 50.56 O HETATM 1161 O HOH 47 0.901 9.268 40.142 1.00 44.35 O HETATM 1162 O HOH 48 -14.268 20.227 43.505 1.00 40.41 O HETATM 1163 O HOH 49 -11.513 15.117 23.292 1.00 57.27 O HETATM 1164 O HOH 50 -1.533 22.106 51.744 1.00 48.25 O HETATM 1165 O HOH 51 8.173 24.026 56.421 1.00 52.70 O HETATM 1166 O HOH 52 6.518 24.257 38.158 1.00 46.33 O HETATM 1167 O HOH 53 -10.587 15.222 48.128 1.00 64.52 O HETATM 1168 O HOH 54 2.319 28.848 50.579 1.00 38.62 O HETATM 1169 O HOH 55 -14.592 22.036 33.960 1.00 33.84 O HETATM 1170 O HOH 56 12.834 9.134 38.221 1.00 74.98 O HETATM 1171 O HOH 57 -15.033 20.700 29.347 1.00 40.66 O HETATM 1172 O HOH 58 8.513 19.827 32.208 1.00 35.44 O HETATM 1173 O HOH 59 -0.745 35.532 37.769 1.00 50.47 O HETATM 1174 O HOH 60 8.879 27.471 55.143 1.00 48.46 O HETATM 1175 O HOH 61 -15.866 17.021 40.007 1.00 42.34 O HETATM 1176 O HOH 62 -0.809 6.156 40.426 1.00 63.24 O HETATM 1177 O HOH 63 -9.368 18.065 48.496 1.00 40.50 O HETATM 1178 O HOH 64 2.138 12.821 23.144 1.00 41.30 O HETATM 1179 O HOH 65 -13.070 13.151 44.026 1.00 56.99 O HETATM 1180 O HOH 66 -11.623 10.372 34.059 1.00 39.08 O HETATM 1181 O HOH 67 2.337 36.690 50.416 1.00 52.13 O HETATM 1182 O HOH 68 -0.151 37.740 44.205 1.00 55.67 O HETATM 1183 O HOH 69 8.373 14.936 41.783 1.00 39.90 O HETATM 1184 O HOH 70 5.074 14.112 38.240 1.00 33.56 O HETATM 1185 O HOH 71 -16.055 20.952 35.982 1.00 40.43 O HETATM 1186 O HOH 72 -11.790 29.974 47.188 1.00 49.77 O HETATM 1187 O HOH 73 -0.631 5.956 28.398 1.00 57.31 O HETATM 1188 O HOH 74 -6.018 29.290 56.527 1.00 62.91 O HETATM 1189 O HOH 75 9.781 3.196 40.526 1.00 57.53 O HETATM 1190 O HOH 76 10.655 18.942 29.542 1.00 43.60 O HETATM 1191 O HOH 77 1.350 26.307 56.653 1.00 54.22 O HETATM 1192 O HOH 78 2.105 0.977 37.740 1.00 71.56 O HETATM 1193 O HOH 79 -1.110 6.979 47.425 1.00 58.69 O HETATM 1194 O HOH 80 10.393 25.555 31.111 1.00 58.21 O HETATM 1195 O HOH 81 6.905 26.240 35.748 1.00 56.78 O HETATM 1196 O HOH 82 8.618 21.703 38.234 1.00 53.52 O HETATM 1197 O HOH 83 -9.704 18.351 25.593 1.00 39.43 O HETATM 1198 O HOH 84 7.554 18.997 52.728 1.00 43.96 O HETATM 1199 O HOH 85 9.885 25.117 40.765 1.00 48.25 O HETATM 1200 O HOH 86 -15.094 28.848 46.889 1.00 65.39 O HETATM 1201 O HOH 87 -12.540 29.907 44.837 1.00 64.59 O HETATM 1202 O HOH 88 -1.466 10.617 40.410 1.00 36.88 O HETATM 1203 O HOH 89 -2.954 8.503 39.265 1.00 60.53 O HETATM 1204 O HOH 90 -1.770 15.715 48.949 1.00 50.30 O HETATM 1205 O HOH 91 5.728 10.663 25.147 1.00 61.43 O HETATM 1206 O HOH 92 -4.840 11.501 20.057 1.00 40.98 O HETATM 1207 O HOH 93 -13.239 21.521 26.111 1.00 46.51 O HETATM 1208 O HOH 94 5.941 25.743 29.891 1.00 58.46 O HETATM 1209 O HOH 95 16.099 11.928 35.080 1.00 70.08 O HETATM 1210 O HOH 96 -3.882 21.326 50.377 1.00 47.71 O HETATM 1211 O HOH 97 -15.901 18.043 44.553 1.00 47.51 O HETATM 1212 O HOH 98 1.777 8.619 26.301 1.00 61.82 O HETATM 1213 O HOH 99 -12.517 20.654 28.469 1.00 34.35 O HETATM 1214 O HOH 100 5.310 11.489 46.739 1.00 52.73 O HETATM 1215 O HOH 101 3.620 30.786 58.887 1.00 70.34 O HETATM 1216 O HOH 102 -2.616 7.666 25.279 1.00 48.14 O HETATM 1217 O HOH 103 -15.630 24.728 34.140 1.00 52.89 O HETATM 1218 O HOH 104 -16.638 18.029 34.772 1.00 54.77 O HETATM 1219 O HOH 105 5.188 14.169 47.072 1.00 64.65 O HETATM 1220 O HOH 106 8.710 14.403 44.563 1.00 38.13 O HETATM 1221 O HOH 107 -2.715 9.153 42.734 1.00 54.65 O HETATM 1222 O HOH 108 -7.424 15.775 48.356 1.00 52.44 O HETATM 1223 O HOH 109 10.237 24.501 26.599 1.00 61.47 O HETATM 1224 O HOH 110 12.532 1.616 43.189 1.00 54.87 O HETATM 1225 O HOH 111 9.422 30.081 55.069 1.00 60.71 O HETATM 1226 O HOH 112 8.007 11.567 45.199 1.00 51.63 O HETATM 1227 O HOH 113 -15.974 21.029 31.855 1.00 47.65 O HETATM 1228 O HOH 114 10.046 29.403 49.784 1.00 49.26 O HETATM 1229 O HOH 115 -13.406 16.220 27.344 1.00 45.69 O HETATM 1230 O HOH 116 -13.807 13.940 28.822 1.00 44.80 O HETATM 1231 O HOH 117 -3.646 4.763 23.812 1.00 55.51 O HETATM 1232 O HOH 118 4.492 29.409 33.499 1.00 57.10 O HETATM 1233 O HOH 119 0.000 0.000 35.636 1.00 60.13 O HETATM 1234 O HOH 120 -15.665 18.210 28.158 1.00 54.64 O HETATM 1235 C4 UNN A 121 0.679 7.627 32.976 1.00 0.01 C HETATM 1236 C3 UNN A 121 0.438 9.017 33.585 1.00 0.04 C HETATM 1237 N1 UNN A 121 1.071 10.110 32.809 1.00 -0.27 N HETATM 1238 C5 UNN A 121 0.671 11.409 32.882 1.00 0.19 C HETATM 1239 C6 UNN A 121 -0.402 11.726 33.773 1.00 0.09 C HETATM 1240 C7 UNN A 121 -1.143 12.989 33.486 1.00 -0.06 C HETATM 1241 C8 UNN A 121 -0.204 12.938 34.635 1.00 -0.06 C HETATM 1242 H5 UNN A 121 0.277 13.424 35.483 1.00 0.06 H HETATM 1243 H4 UNN A 121 -1.855 13.544 32.877 1.00 0.06 H HETATM 1244 H3 UNN A 121 -0.909 10.823 34.142 1.00 0.06 H HETATM 1245 O UNN A 121 1.123 12.288 32.150 1.00 -0.40 O HETATM 1246 C2 UNN A 121 2.144 9.613 31.948 1.00 0.04 C HETATM 1247 C1 UNN A 121 1.595 8.677 30.865 1.00 0.01 C HETATM 1248 C UNN A 121 0.627 7.669 31.459 1.00 -0.02 C HETATM 1249 N UNN A 121 0.825 6.328 30.902 1.00 0.22 N HETATM 1250 H13 UNN A 121 0.166 5.690 31.320 1.00 0.20 H HETATM 1251 H14 UNN A 121 1.764 6.018 31.098 1.00 0.20 H HETATM 1252 H15 UNN A 121 0.681 6.354 29.905 1.00 0.20 H HETATM 1253 H12 UNN A 121 -0.386 7.994 31.178 1.00 0.09 H HETATM 1254 H8 UNN A 121 2.432 8.139 30.396 1.00 0.03 H HETATM 1255 H9 UNN A 121 1.071 9.274 30.105 1.00 0.03 H HETATM 1256 H6 UNN A 121 2.872 9.063 32.562 1.00 0.05 H HETATM 1257 H7 UNN A 121 2.642 10.467 31.466 1.00 0.05 H HETATM 1258 H10 UNN A 121 0.849 9.028 34.605 1.00 0.05 H HETATM 1259 H11 UNN A 121 -0.646 9.198 33.625 1.00 0.05 H HETATM 1260 H1 UNN A 121 -0.096 6.937 33.342 1.00 0.03 H HETATM 1261 H2 UNN A 121 1.669 7.266 33.290 1.00 0.03 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1235 1236 1248 1260 1261 CONECT 1236 1235 1237 1258 1259 CONECT 1237 1236 1238 1246 CONECT 1238 1237 1239 1245 CONECT 1239 1238 1240 1241 1244 CONECT 1240 1239 1241 1243 CONECT 1241 1239 1240 1242 CONECT 1242 1241 CONECT 1243 1240 CONECT 1244 1239 CONECT 1245 1238 CONECT 1246 1237 1247 1256 1257 CONECT 1247 1246 1248 1254 1255 CONECT 1248 1235 1247 1249 1253 CONECT 1249 1248 1250 1251 1252 CONECT 1250 1249 CONECT 1251 1249 CONECT 1252 1249 CONECT 1253 1248 CONECT 1254 1247 CONECT 1255 1247 CONECT 1256 1246 CONECT 1257 1246 CONECT 1258 1236 CONECT 1259 1236 CONECT 1260 1235 CONECT 1261 1235 MASTER 0 0 0 0 0 0 0 0 1260 1 31 9 END
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Related entries of code: 5fe6
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
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118aa, >1WUG_1|Chain... at 96%
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PDBbind
119aa, >5FDZ_1|Chains... at 100%
5fe7
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PDBbind
119aa, >5FE7_1|Chains... at 100%
5fe9
RCSB PDB
PDBbind
119aa, >5FE9_1|Chains... at 100%
5lvq
RCSB PDB
PDBbind
119aa, >5LVQ_1|Chains... at 100%
5lvr
RCSB PDB
PDBbind
119aa, >5LVR_1|Chains... at 100%
5mkx
RCSB PDB
PDBbind
119aa, >5MKX_1|Chains... at 100%
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PDBbind
110aa, >5ML0_1|Chain... at 91%
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PDBbind
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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
5fe6
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
human PCAF bromodomain
Ligand Name
5WZ
EC.Number
E.C.2.3.1.48
Resolution
1.77(Å)
Affinity (Kd/Ki/IC50)
Kd=6910uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J.Med.Chem. Vol. 59: pp. 1648-1653
Ligand Properties
Formula
C
9
H
1
5
N
2
O
Molecular Weight
167.228
Exact Mass
167.118
No. of atoms
27
No. of bonds
28
Polar Surface Area
47.95
LOGP Value
-0.13 (
Computed with XLOGP3
)
-0.66 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 2
Canonical SMILES
O=C(N1CC[C@H](CC1)[NH3+])[C@@H]1C=C1
InChI String
InChI=1S/C9H14N2O/c10-8-3-5-11(6-4-8)9(12)7-1-2-7/h1-2,7-8H,3-6,10H2/p+1
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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times since Nov 2007.
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