Browse entries in the PDBbind-CN Database
HEADER 5FE7_COMPLEX COMPND 5FE7_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 201 28 ATOM 1 N ARG A 723 22.299 26.589 8.416 1.00107.22 N ATOM 2 CA ARG A 723 22.658 27.085 9.764 1.00109.57 C ATOM 3 C ARG A 723 21.766 26.396 10.806 1.00112.25 C ATOM 4 O ARG A 723 20.576 26.187 10.557 1.00114.53 O ATOM 5 CB ARG A 723 22.499 28.612 9.822 1.00105.79 C ATOM 6 HN3 ARG A 723 21.301 26.807 8.222 1.00 0.00 H ATOM 7 HN2 ARG A 723 22.444 25.560 8.377 1.00 0.00 H ATOM 8 HN1 ARG A 723 22.901 27.053 7.706 1.00 0.00 H ATOM 9 N ASP A 724 22.350 26.015 11.953 1.00117.68 N ATOM 10 CA ASP A 724 21.578 25.494 13.115 1.00112.05 C ATOM 11 C ASP A 724 20.575 26.556 13.678 1.00107.94 C ATOM 12 O ASP A 724 19.408 26.226 13.961 1.00 92.47 O ATOM 13 CB ASP A 724 22.530 24.981 14.216 1.00107.93 C ATOM 14 H ASP A 724 23.384 26.087 12.033 1.00 0.00 H ATOM 15 N PRO A 725 21.022 27.840 13.805 1.00109.92 N ATOM 16 CA PRO A 725 20.069 28.943 14.047 1.00 98.94 C ATOM 17 C PRO A 725 19.015 29.056 12.929 1.00 95.22 C ATOM 18 O PRO A 725 17.829 29.255 13.215 1.00 84.13 O ATOM 19 CB PRO A 725 20.957 30.210 14.067 1.00 99.62 C ATOM 20 CG PRO A 725 22.361 29.733 14.203 1.00106.69 C ATOM 21 CD PRO A 725 22.410 28.335 13.646 1.00111.91 C ATOM 22 N ASP A 726 19.448 28.924 11.670 1.00 94.17 N ATOM 23 CA ASP A 726 18.521 29.072 10.560 1.00 87.40 C ATOM 24 C ASP A 726 17.632 27.849 10.311 1.00 80.04 C ATOM 25 O ASP A 726 16.545 27.969 9.758 1.00 71.34 O ATOM 26 CB ASP A 726 19.181 29.602 9.304 1.00 90.24 C ATOM 27 CG ASP A 726 18.405 30.770 8.747 1.00 92.35 C ATOM 28 OD1 ASP A 726 18.227 31.765 9.471 1.00 87.19 O ATOM 29 OD2 ASP A 726 17.902 30.679 7.625 1.00105.88 O ATOM 30 H ASP A 726 20.450 28.715 11.485 1.00 0.00 H ATOM 31 N GLN A 727 18.050 26.694 10.795 1.00 76.36 N ATOM 32 CA GLN A 727 17.156 25.539 10.842 1.00 76.14 C ATOM 33 C GLN A 727 16.017 25.736 11.835 1.00 66.66 C ATOM 34 O GLN A 727 14.853 25.475 11.556 1.00 63.51 O ATOM 35 CB GLN A 727 17.954 24.351 11.271 1.00 82.72 C ATOM 36 CG GLN A 727 17.183 23.075 11.291 1.00 87.00 C ATOM 37 CD GLN A 727 18.118 21.939 11.582 1.00 99.19 C ATOM 38 OE1 GLN A 727 19.128 21.748 10.886 1.00102.00 O ATOM 39 NE2 GLN A 727 17.824 21.197 12.639 1.00103.97 N ATOM 40 HE22 GLN A 727 16.966 21.396 13.191 1.00 0.00 H ATOM 41 HE21 GLN A 727 18.452 20.416 12.917 1.00 0.00 H ATOM 42 H GLN A 727 19.025 26.605 11.146 1.00 0.00 H ATOM 43 N LEU A 728 16.374 26.211 13.006 1.00 60.27 N ATOM 44 CA LEU A 728 15.394 26.532 14.006 1.00 57.65 C ATOM 45 C LEU A 728 14.397 27.546 13.451 1.00 54.85 C ATOM 46 O LEU A 728 13.194 27.384 13.549 1.00 51.12 O ATOM 47 CB LEU A 728 16.096 27.111 15.226 1.00 58.54 C ATOM 48 CG LEU A 728 15.246 27.578 16.394 1.00 56.77 C ATOM 49 CD1 LEU A 728 14.338 26.449 16.860 1.00 57.50 C ATOM 50 CD2 LEU A 728 16.115 28.091 17.545 1.00 57.70 C ATOM 51 H LEU A 728 17.383 26.357 13.213 1.00 0.00 H ATOM 52 N TYR A 729 14.930 28.603 12.870 1.00 54.82 N ATOM 53 CA TYR A 729 14.131 29.669 12.323 1.00 52.84 C ATOM 54 C TYR A 729 13.113 29.131 11.329 1.00 50.91 C ATOM 55 O TYR A 729 11.943 29.482 11.386 1.00 49.24 O ATOM 56 CB TYR A 729 15.055 30.712 11.688 1.00 56.39 C ATOM 57 CG TYR A 729 14.350 31.856 11.053 1.00 57.44 C ATOM 58 CD1 TYR A 729 13.863 32.908 11.825 1.00 57.17 C ATOM 59 CD2 TYR A 729 14.138 31.886 9.690 1.00 61.56 C ATOM 60 CE1 TYR A 729 13.191 33.958 11.252 1.00 57.57 C ATOM 61 CE2 TYR A 729 13.473 32.941 9.111 1.00 64.86 C ATOM 62 CZ TYR A 729 13.023 33.980 9.913 1.00 61.99 C ATOM 63 OH TYR A 729 12.358 35.027 9.377 1.00 60.75 O ATOM 64 HH TYR A 729 12.936 35.479 8.712 1.00 0.00 H ATOM 65 H TYR A 729 15.966 28.669 12.804 1.00 0.00 H ATOM 66 N SER A 730 13.542 28.281 10.419 1.00 55.01 N ATOM 67 CA SER A 730 12.615 27.697 9.459 1.00 55.82 C ATOM 68 C SER A 730 11.551 26.880 10.120 1.00 53.36 C ATOM 69 O SER A 730 10.391 26.949 9.731 1.00 53.83 O ATOM 70 CB SER A 730 13.346 26.771 8.521 1.00 60.14 C ATOM 71 OG SER A 730 14.433 27.449 8.023 1.00 64.22 O ATOM 72 HG SER A 730 15.024 27.718 8.771 1.00 0.00 H ATOM 73 H SER A 730 14.549 28.025 10.386 1.00 0.00 H ATOM 74 N THR A 731 11.937 26.053 11.086 1.00 52.61 N ATOM 75 CA THR A 731 10.947 25.204 11.783 1.00 51.48 C ATOM 76 C THR A 731 9.927 26.071 12.530 1.00 48.19 C ATOM 77 O THR A 731 8.729 25.895 12.401 1.00 47.96 O ATOM 78 CB THR A 731 11.615 24.252 12.773 1.00 54.21 C ATOM 79 OG1 THR A 731 12.613 23.508 12.104 1.00 56.45 O ATOM 80 CG2 THR A 731 10.584 23.305 13.376 1.00 54.97 C ATOM 81 HG1 THR A 731 13.289 24.127 11.730 1.00 0.00 H ATOM 82 H THR A 731 12.941 26.003 11.353 1.00 0.00 H ATOM 83 N LEU A 732 10.410 27.060 13.251 1.00 47.26 N ATOM 84 CA LEU A 732 9.506 27.950 13.956 1.00 44.00 C ATOM 85 C LEU A 732 8.594 28.736 13.021 1.00 44.33 C ATOM 86 O LEU A 732 7.421 28.901 13.307 1.00 41.56 O ATOM 87 CB LEU A 732 10.282 28.900 14.824 1.00 42.76 C ATOM 88 CG LEU A 732 11.155 28.302 15.929 1.00 46.34 C ATOM 89 CD1 LEU A 732 11.746 29.408 16.788 1.00 43.78 C ATOM 90 CD2 LEU A 732 10.386 27.315 16.818 1.00 47.42 C ATOM 91 H LEU A 732 11.438 27.204 13.316 1.00 0.00 H ATOM 92 N LYS A 733 9.131 29.225 11.908 1.00 45.41 N ATOM 93 CA LYS A 733 8.325 29.946 10.949 1.00 48.11 C ATOM 94 C LYS A 733 7.218 29.072 10.368 1.00 46.14 C ATOM 95 O LYS A 733 6.084 29.497 10.195 1.00 46.39 O ATOM 96 CB LYS A 733 9.253 30.460 9.844 1.00 53.15 C ATOM 97 CG LYS A 733 8.601 31.280 8.768 1.00 61.07 C ATOM 98 CD LYS A 733 9.710 31.830 7.867 1.00 69.94 C ATOM 99 CE LYS A 733 9.407 33.222 7.342 1.00 77.08 C ATOM 100 NZ LYS A 733 8.535 33.146 6.146 1.00 80.73 N ATOM 101 HZ1 LYS A 733 9.015 32.601 5.402 1.00 0.00 H ATOM 102 HZ2 LYS A 733 7.642 32.677 6.399 1.00 0.00 H ATOM 103 HZ3 LYS A 733 8.338 34.107 5.800 1.00 0.00 H ATOM 104 H LYS A 733 10.145 29.087 11.724 1.00 0.00 H ATOM 105 N SER A 734 7.566 27.854 10.008 1.00 46.46 N ATOM 106 CA SER A 734 6.569 26.895 9.540 1.00 50.88 C ATOM 107 C SER A 734 5.466 26.658 10.583 1.00 46.87 C ATOM 108 O SER A 734 4.263 26.724 10.286 1.00 47.42 O ATOM 109 CB SER A 734 7.258 25.575 9.171 1.00 53.75 C ATOM 110 OG SER A 734 6.290 24.607 8.868 1.00 58.17 O ATOM 111 HG SER A 734 6.738 23.757 8.630 1.00 0.00 H ATOM 112 H SER A 734 8.565 27.571 10.058 1.00 0.00 H ATOM 113 N ILE A 735 5.855 26.432 11.822 1.00 45.33 N ATOM 114 CA ILE A 735 4.855 26.196 12.854 1.00 42.75 C ATOM 115 C ILE A 735 3.964 27.424 13.077 1.00 40.66 C ATOM 116 O ILE A 735 2.750 27.318 13.118 1.00 41.14 O ATOM 117 CB ILE A 735 5.533 25.777 14.182 1.00 44.23 C ATOM 118 CG1 ILE A 735 6.082 24.350 14.045 1.00 47.58 C ATOM 119 CG2 ILE A 735 4.555 25.789 15.362 1.00 41.67 C ATOM 120 CD1 ILE A 735 7.119 24.053 15.081 1.00 49.89 C ATOM 121 H ILE A 735 6.867 26.422 12.060 1.00 0.00 H ATOM 122 N LEU A 736 4.581 28.576 13.237 1.00 40.43 N ATOM 123 CA LEU A 736 3.817 29.802 13.441 1.00 39.93 C ATOM 124 C LEU A 736 2.862 30.059 12.266 1.00 37.58 C ATOM 125 O LEU A 736 1.702 30.465 12.471 1.00 38.06 O ATOM 126 CB LEU A 736 4.746 30.978 13.654 1.00 38.69 C ATOM 127 CG LEU A 736 4.044 32.262 14.091 1.00 39.92 C ATOM 128 CD1 LEU A 736 3.217 32.051 15.340 1.00 38.99 C ATOM 129 CD2 LEU A 736 5.099 33.354 14.326 1.00 38.50 C ATOM 130 H LEU A 736 5.620 28.612 13.218 1.00 0.00 H ATOM 131 N GLN A 737 3.318 29.800 11.051 1.00 39.77 N ATOM 132 CA GLN A 737 2.443 30.005 9.861 1.00 45.66 C ATOM 133 C GLN A 737 1.228 29.095 9.881 1.00 44.50 C ATOM 134 O GLN A 737 0.104 29.509 9.588 1.00 46.28 O ATOM 135 CB GLN A 737 3.248 29.778 8.571 1.00 52.31 C ATOM 136 CG GLN A 737 2.472 30.073 7.307 1.00 62.25 C ATOM 137 CD GLN A 737 1.801 31.432 7.442 1.00 76.70 C ATOM 138 OE1 GLN A 737 2.489 32.453 7.400 1.00 86.87 O ATOM 139 NE2 GLN A 737 0.472 31.455 7.707 1.00 78.00 N ATOM 140 HE22 GLN A 737 -0.069 30.567 7.732 1.00 0.00 H ATOM 141 HE21 GLN A 737 -0.007 32.361 7.885 1.00 0.00 H ATOM 142 H GLN A 737 4.290 29.452 10.926 1.00 0.00 H ATOM 143 N GLN A 738 1.451 27.840 10.238 1.00 44.50 N ATOM 144 CA GLN A 738 0.360 26.866 10.342 1.00 41.81 C ATOM 145 C GLN A 738 -0.634 27.253 11.407 1.00 38.79 C ATOM 146 O GLN A 738 -1.851 27.159 11.230 1.00 37.44 O ATOM 147 CB GLN A 738 0.924 25.468 10.612 1.00 44.32 C ATOM 148 CG GLN A 738 1.698 24.969 9.403 1.00 49.42 C ATOM 149 CD GLN A 738 2.154 23.561 9.565 1.00 54.85 C ATOM 150 OE1 GLN A 738 1.349 22.630 9.575 1.00 57.92 O ATOM 151 NE2 GLN A 738 3.444 23.379 9.657 1.00 56.29 N ATOM 152 HE22 GLN A 738 4.087 24.197 9.644 1.00 0.00 H ATOM 153 HE21 GLN A 738 3.829 22.417 9.743 1.00 0.00 H ATOM 154 H GLN A 738 2.423 27.538 10.450 1.00 0.00 H ATOM 155 N VAL A 739 -0.125 27.677 12.530 1.00 36.61 N ATOM 156 CA VAL A 739 -0.976 28.140 13.593 1.00 36.88 C ATOM 157 C VAL A 739 -1.813 29.360 13.125 1.00 37.53 C ATOM 158 O VAL A 739 -3.023 29.417 13.332 1.00 33.66 O ATOM 159 CB VAL A 739 -0.121 28.474 14.842 1.00 36.57 C ATOM 160 CG1 VAL A 739 -0.940 29.219 15.874 1.00 39.51 C ATOM 161 CG2 VAL A 739 0.424 27.206 15.482 1.00 35.61 C ATOM 162 H VAL A 739 0.907 27.680 12.658 1.00 0.00 H ATOM 163 N LYS A 740 -1.154 30.341 12.491 1.00 37.77 N ATOM 164 CA LYS A 740 -1.859 31.519 12.043 1.00 37.72 C ATOM 165 C LYS A 740 -2.871 31.221 11.010 1.00 38.87 C ATOM 166 O LYS A 740 -3.859 31.919 10.951 1.00 41.96 O ATOM 167 CB LYS A 740 -0.901 32.555 11.521 1.00 40.45 C ATOM 168 CG LYS A 740 -0.148 33.153 12.694 1.00 43.32 C ATOM 169 CD LYS A 740 1.030 33.947 12.216 1.00 46.81 C ATOM 170 CE LYS A 740 0.628 35.338 11.855 1.00 52.12 C ATOM 171 NZ LYS A 740 1.759 35.876 11.035 1.00 59.34 N ATOM 172 HZ1 LYS A 740 2.632 35.865 11.601 1.00 0.00 H ATOM 173 HZ2 LYS A 740 1.885 35.283 10.190 1.00 0.00 H ATOM 174 HZ3 LYS A 740 1.543 36.852 10.747 1.00 0.00 H ATOM 175 H LYS A 740 -0.132 30.253 12.321 1.00 0.00 H ATOM 176 N SER A 741 -2.645 30.208 10.178 1.00 39.69 N ATOM 177 CA SER A 741 -3.622 29.826 9.176 1.00 42.04 C ATOM 178 C SER A 741 -4.788 29.004 9.655 1.00 39.51 C ATOM 179 O SER A 741 -5.716 28.730 8.873 1.00 39.63 O ATOM 180 CB SER A 741 -2.951 28.990 8.072 1.00 44.62 C ATOM 181 OG SER A 741 -1.908 29.742 7.523 1.00 49.34 O ATOM 182 HG SER A 741 -1.251 29.959 8.231 1.00 0.00 H ATOM 183 H SER A 741 -1.752 29.680 10.247 1.00 0.00 H ATOM 184 N HIS A 742 -4.729 28.531 10.886 1.00 39.29 N ATOM 185 CA HIS A 742 -5.738 27.660 11.403 1.00 38.16 C ATOM 186 C HIS A 742 -7.053 28.436 11.563 1.00 39.55 C ATOM 187 O HIS A 742 -7.065 29.576 11.941 1.00 40.19 O ATOM 188 CB HIS A 742 -5.255 27.112 12.753 1.00 39.48 C ATOM 189 CG HIS A 742 -6.046 25.946 13.253 1.00 39.82 C ATOM 190 ND1 HIS A 742 -7.220 26.092 13.946 1.00 44.36 N ATOM 191 CD2 HIS A 742 -5.790 24.617 13.226 1.00 40.88 C ATOM 192 CE1 HIS A 742 -7.688 24.901 14.284 1.00 41.70 C ATOM 193 NE2 HIS A 742 -6.854 23.987 13.820 1.00 40.65 N ATOM 194 H HIS A 742 -3.929 28.798 11.495 1.00 0.00 H ATOM 195 N GLN A 743 -8.158 27.764 11.377 1.00 40.99 N ATOM 196 CA GLN A 743 -9.464 28.346 11.467 1.00 47.05 C ATOM 197 C GLN A 743 -9.854 28.940 12.843 1.00 43.29 C ATOM 198 O GLN A 743 -10.703 29.799 12.913 1.00 44.34 O ATOM 199 CB GLN A 743 -10.416 27.247 11.061 1.00 55.89 C ATOM 200 CG GLN A 743 -11.859 27.587 11.084 1.00 70.57 C ATOM 201 CD GLN A 743 -12.691 26.361 10.751 1.00 80.86 C ATOM 202 OE1 GLN A 743 -12.824 25.437 11.574 1.00 84.77 O ATOM 203 NE2 GLN A 743 -13.227 26.325 9.535 1.00 82.79 N ATOM 204 HE22 GLN A 743 -13.088 27.122 8.882 1.00 0.00 H ATOM 205 HE21 GLN A 743 -13.785 25.500 9.237 1.00 0.00 H ATOM 206 H GLN A 743 -8.086 26.751 11.151 1.00 0.00 H ATOM 207 N SER A 744 -9.235 28.470 13.912 1.00 37.96 N ATOM 208 CA SER A 744 -9.430 28.950 15.253 1.00 38.51 C ATOM 209 C SER A 744 -8.369 29.963 15.713 1.00 37.38 C ATOM 210 O SER A 744 -8.391 30.369 16.846 1.00 34.18 O ATOM 211 CB SER A 744 -9.391 27.752 16.251 1.00 40.81 C ATOM 212 OG SER A 744 -10.443 26.877 15.938 1.00 43.85 O ATOM 213 HG SER A 744 -10.431 26.110 16.564 1.00 0.00 H ATOM 214 H SER A 744 -8.556 27.695 13.773 1.00 0.00 H ATOM 215 N ALA A 745 -7.479 30.403 14.832 1.00 38.26 N ATOM 216 CA ALA A 745 -6.496 31.400 15.230 1.00 37.40 C ATOM 217 C ALA A 745 -7.006 32.847 15.292 1.00 34.73 C ATOM 218 O ALA A 745 -6.371 33.700 15.911 1.00 34.93 O ATOM 219 CB ALA A 745 -5.314 31.343 14.303 1.00 39.17 C ATOM 220 H ALA A 745 -7.484 30.036 13.859 1.00 0.00 H ATOM 221 N TRP A 746 -8.169 33.110 14.724 1.00 34.87 N ATOM 222 CA TRP A 746 -8.616 34.500 14.495 1.00 36.71 C ATOM 223 C TRP A 746 -8.696 35.386 15.750 1.00 36.35 C ATOM 224 O TRP A 746 -8.407 36.559 15.665 1.00 38.23 O ATOM 225 CB TRP A 746 -9.951 34.543 13.707 1.00 39.78 C ATOM 226 CG TRP A 746 -11.048 33.857 14.355 1.00 40.64 C ATOM 227 CD1 TRP A 746 -11.405 32.527 14.197 1.00 42.51 C ATOM 228 CD2 TRP A 746 -11.927 34.388 15.339 1.00 41.12 C ATOM 229 NE1 TRP A 746 -12.451 32.224 15.011 1.00 41.72 N ATOM 230 CE2 TRP A 746 -12.817 33.354 15.702 1.00 42.70 C ATOM 231 CE3 TRP A 746 -12.043 35.631 15.970 1.00 41.37 C ATOM 232 CZ2 TRP A 746 -13.807 33.526 16.668 1.00 42.96 C ATOM 233 CZ3 TRP A 746 -13.029 35.804 16.922 1.00 41.12 C ATOM 234 CH2 TRP A 746 -13.927 34.770 17.240 1.00 43.23 C ATOM 235 HE1 TRP A 746 -12.900 31.290 15.097 1.00 0.00 H ATOM 236 H TRP A 746 -8.783 32.323 14.432 1.00 0.00 H ATOM 237 N PRO A 747 -9.009 34.833 16.920 1.00 34.58 N ATOM 238 CA PRO A 747 -9.031 35.718 18.092 1.00 35.53 C ATOM 239 C PRO A 747 -7.655 36.223 18.512 1.00 35.46 C ATOM 240 O PRO A 747 -7.557 37.218 19.218 1.00 36.57 O ATOM 241 CB PRO A 747 -9.560 34.795 19.199 1.00 34.13 C ATOM 242 CG PRO A 747 -10.273 33.711 18.469 1.00 33.66 C ATOM 243 CD PRO A 747 -9.433 33.465 17.273 1.00 33.81 C ATOM 244 N PHE A 748 -6.615 35.519 18.108 1.00 33.31 N ATOM 245 CA PHE A 748 -5.270 35.709 18.634 1.00 32.11 C ATOM 246 C PHE A 748 -4.349 36.441 17.652 1.00 32.52 C ATOM 247 O PHE A 748 -3.159 36.549 17.878 1.00 34.91 O ATOM 248 CB PHE A 748 -4.681 34.365 18.992 1.00 32.71 C ATOM 249 CG PHE A 748 -5.618 33.505 19.837 1.00 32.31 C ATOM 250 CD1 PHE A 748 -6.022 33.937 21.060 1.00 33.31 C ATOM 251 CD2 PHE A 748 -6.190 32.374 19.329 1.00 33.42 C ATOM 252 CE1 PHE A 748 -6.979 33.246 21.802 1.00 36.97 C ATOM 253 CE2 PHE A 748 -7.136 31.661 20.053 1.00 37.78 C ATOM 254 CZ PHE A 748 -7.531 32.091 21.290 1.00 34.96 C ATOM 255 H PHE A 748 -6.763 34.793 17.378 1.00 0.00 H ATOM 256 N MET A 749 -4.908 36.957 16.578 1.00 34.54 N ATOM 257 CA MET A 749 -4.132 37.533 15.496 1.00 38.79 C ATOM 258 C MET A 749 -3.583 38.892 15.840 1.00 42.48 C ATOM 259 O MET A 749 -2.566 39.249 15.307 1.00 47.75 O ATOM 260 CB MET A 749 -4.941 37.607 14.175 1.00 42.85 C ATOM 261 CG MET A 749 -5.218 36.212 13.585 1.00 44.91 C ATOM 262 SD MET A 749 -3.678 35.360 13.118 1.00 47.83 S ATOM 263 CE MET A 749 -3.345 36.155 11.555 1.00 49.19 C ATOM 264 H MET A 749 -5.945 36.952 16.502 1.00 0.00 H ATOM 265 N GLU A 750 -4.203 39.604 16.784 1.00 42.75 N ATOM 266 CA GLU A 750 -3.684 40.872 17.225 1.00 47.30 C ATOM 267 C GLU A 750 -3.795 41.041 18.716 1.00 41.41 C ATOM 268 O GLU A 750 -4.584 40.372 19.318 1.00 41.35 O ATOM 269 CB GLU A 750 -4.478 41.984 16.507 1.00 52.61 C ATOM 270 CG GLU A 750 -3.862 42.244 15.148 1.00 68.87 C ATOM 271 CD GLU A 750 -4.632 43.211 14.297 1.00 78.91 C ATOM 272 OE1 GLU A 750 -5.310 44.099 14.844 1.00 93.84 O ATOM 273 OE2 GLU A 750 -4.551 43.072 13.064 1.00 92.47 O ATOM 274 H GLU A 750 -5.078 39.235 17.209 1.00 0.00 H ATOM 275 N PRO A 751 -3.091 42.015 19.286 1.00 43.27 N ATOM 276 CA PRO A 751 -3.213 42.314 20.704 1.00 45.61 C ATOM 277 C PRO A 751 -4.650 42.529 21.151 1.00 47.15 C ATOM 278 O PRO A 751 -5.445 43.162 20.440 1.00 48.09 O ATOM 279 CB PRO A 751 -2.445 43.640 20.843 1.00 50.18 C ATOM 280 CG PRO A 751 -1.433 43.645 19.731 1.00 47.66 C ATOM 281 CD PRO A 751 -2.079 42.882 18.616 1.00 48.92 C ATOM 282 N VAL A 752 -4.970 42.045 22.351 1.00 44.75 N ATOM 283 CA VAL A 752 -6.247 42.346 22.971 1.00 46.62 C ATOM 284 C VAL A 752 -6.379 43.858 23.069 1.00 47.89 C ATOM 285 O VAL A 752 -5.406 44.515 23.373 1.00 47.98 O ATOM 286 CB VAL A 752 -6.325 41.720 24.365 1.00 47.03 C ATOM 287 CG1 VAL A 752 -7.592 42.144 25.087 1.00 51.10 C ATOM 288 CG2 VAL A 752 -6.237 40.198 24.237 1.00 47.35 C ATOM 289 H VAL A 752 -4.290 41.439 22.853 1.00 0.00 H ATOM 290 N LYS A 753 -7.546 44.419 22.760 1.00 52.04 N ATOM 291 CA LYS A 753 -7.690 45.891 22.811 1.00 62.25 C ATOM 292 C LYS A 753 -8.230 46.295 24.155 1.00 63.65 C ATOM 293 O LYS A 753 -9.291 45.775 24.595 1.00 59.93 O ATOM 294 CB LYS A 753 -8.640 46.427 21.765 1.00 69.66 C ATOM 295 CG LYS A 753 -8.169 46.252 20.357 1.00 74.35 C ATOM 296 CD LYS A 753 -9.023 47.122 19.432 1.00 86.43 C ATOM 297 CE LYS A 753 -9.318 46.455 18.094 1.00 87.00 C ATOM 298 NZ LYS A 753 -8.350 45.371 17.707 1.00 88.93 N ATOM 299 HZ1 LYS A 753 -7.392 45.771 17.640 1.00 0.00 H ATOM 300 HZ2 LYS A 753 -8.365 44.621 18.428 1.00 0.00 H ATOM 301 HZ3 LYS A 753 -8.626 44.974 16.786 1.00 0.00 H ATOM 302 H LYS A 753 -8.354 43.825 22.484 1.00 0.00 H ATOM 303 N ARG A 754 -7.505 47.202 24.809 1.00 64.64 N ATOM 304 CA ARG A 754 -7.850 47.639 26.152 1.00 71.67 C ATOM 305 C ARG A 754 -9.279 48.171 26.191 1.00 76.29 C ATOM 306 O ARG A 754 -10.053 47.846 27.111 1.00 78.97 O ATOM 307 CB ARG A 754 -6.839 48.697 26.626 1.00 75.85 C ATOM 308 CG ARG A 754 -7.258 49.406 27.912 1.00 84.32 C ATOM 309 CD ARG A 754 -6.252 50.404 28.468 1.00 89.16 C ATOM 310 NE ARG A 754 -5.314 49.799 29.413 1.00 90.68 N ATOM 311 CZ ARG A 754 -4.103 49.296 29.134 1.00 91.60 C ATOM 312 NH1 ARG A 754 -3.597 49.248 27.895 1.00 90.99 N ATOM 313 NH2 ARG A 754 -3.386 48.810 30.137 1.00 93.66 N ATOM 314 HE ARG A 754 -5.619 49.754 30.406 1.00 0.00 H ATOM 315 HH12 ARG A 754 -2.651 48.847 27.735 1.00 0.00 H ATOM 316 HH11 ARG A 754 -4.150 49.612 27.093 1.00 0.00 H ATOM 317 HH22 ARG A 754 -2.442 48.412 29.957 1.00 0.00 H ATOM 318 HH21 ARG A 754 -3.767 48.827 31.105 1.00 0.00 H ATOM 319 H ARG A 754 -6.668 47.609 24.345 1.00 0.00 H ATOM 320 N THR A 755 -9.646 48.943 25.173 1.00 75.97 N ATOM 321 CA THR A 755 -10.975 49.513 25.115 1.00 82.02 C ATOM 322 C THR A 755 -12.070 48.479 25.029 1.00 81.89 C ATOM 323 O THR A 755 -13.191 48.769 25.348 1.00 82.51 O ATOM 324 CB THR A 755 -11.120 50.460 23.918 1.00 84.32 C ATOM 325 OG1 THR A 755 -10.664 49.794 22.732 1.00 85.00 O ATOM 326 CG2 THR A 755 -10.293 51.702 24.152 1.00 84.16 C ATOM 327 HG1 THR A 755 -10.756 50.403 21.957 1.00 0.00 H ATOM 328 H THR A 755 -8.969 49.140 24.408 1.00 0.00 H ATOM 329 N GLU A 756 -11.752 47.268 24.590 1.00 83.33 N ATOM 330 CA GLU A 756 -12.751 46.205 24.527 1.00 78.95 C ATOM 331 C GLU A 756 -12.674 45.227 25.658 1.00 75.75 C ATOM 332 O GLU A 756 -13.546 44.395 25.784 1.00 77.79 O ATOM 333 CB GLU A 756 -12.591 45.444 23.238 1.00 80.99 C ATOM 334 CG GLU A 756 -13.002 46.266 22.037 1.00 91.02 C ATOM 335 CD GLU A 756 -12.340 45.807 20.759 1.00 98.11 C ATOM 336 OE1 GLU A 756 -11.879 46.687 20.001 1.00111.32 O ATOM 337 OE2 GLU A 756 -12.274 44.580 20.510 1.00 93.93 O ATOM 338 H GLU A 756 -10.777 47.073 24.286 1.00 0.00 H ATOM 339 N ALA A 757 -11.639 45.263 26.480 1.00 72.19 N ATOM 340 CA ALA A 757 -11.580 44.232 27.517 1.00 69.13 C ATOM 341 C ALA A 757 -11.286 44.742 28.901 1.00 74.55 C ATOM 342 O ALA A 757 -10.108 44.815 29.278 1.00 73.37 O ATOM 343 CB ALA A 757 -10.602 43.158 27.139 1.00 65.11 C ATOM 344 H ALA A 757 -10.901 45.990 26.394 1.00 0.00 H ATOM 345 N PRO A 758 -12.360 45.033 29.685 1.00 75.77 N ATOM 346 CA PRO A 758 -12.145 45.862 30.879 1.00 83.23 C ATOM 347 C PRO A 758 -11.255 45.178 31.896 1.00 78.72 C ATOM 348 O PRO A 758 -11.472 44.004 32.233 1.00 79.59 O ATOM 349 CB PRO A 758 -13.580 46.119 31.449 1.00 84.23 C ATOM 350 CG PRO A 758 -14.524 45.446 30.498 1.00 82.70 C ATOM 351 CD PRO A 758 -13.740 44.489 29.632 1.00 75.38 C ATOM 352 N GLY A 759 -10.229 45.887 32.351 1.00 78.63 N ATOM 353 CA GLY A 759 -9.292 45.290 33.285 1.00 75.93 C ATOM 354 C GLY A 759 -8.520 44.089 32.767 1.00 71.01 C ATOM 355 O GLY A 759 -7.974 43.350 33.557 1.00 71.26 O ATOM 356 H GLY A 759 -10.097 46.870 32.038 1.00 0.00 H ATOM 357 N TYR A 760 -8.472 43.876 31.460 1.00 63.72 N ATOM 358 CA TYR A 760 -7.623 42.811 30.934 1.00 61.26 C ATOM 359 C TYR A 760 -6.152 43.042 31.274 1.00 60.27 C ATOM 360 O TYR A 760 -5.478 42.140 31.752 1.00 56.98 O ATOM 361 CB TYR A 760 -7.745 42.701 29.425 1.00 56.39 C ATOM 362 CG TYR A 760 -6.951 41.577 28.845 1.00 54.82 C ATOM 363 CD1 TYR A 760 -7.512 40.322 28.737 1.00 55.71 C ATOM 364 CD2 TYR A 760 -5.653 41.763 28.372 1.00 52.79 C ATOM 365 CE1 TYR A 760 -6.814 39.271 28.169 1.00 51.00 C ATOM 366 CE2 TYR A 760 -4.939 40.715 27.803 1.00 49.85 C ATOM 367 CZ TYR A 760 -5.516 39.465 27.718 1.00 49.61 C ATOM 368 OH TYR A 760 -4.843 38.399 27.119 1.00 48.28 O ATOM 369 HH TYR A 760 -5.413 37.590 27.153 1.00 0.00 H ATOM 370 H TYR A 760 -9.036 44.464 30.813 1.00 0.00 H ATOM 371 N TYR A 761 -5.658 44.248 31.008 1.00 60.89 N ATOM 372 CA TYR A 761 -4.257 44.541 31.198 1.00 63.00 C ATOM 373 C TYR A 761 -3.902 44.723 32.686 1.00 70.30 C ATOM 374 O TYR A 761 -2.727 44.821 33.017 1.00 71.56 O ATOM 375 CB TYR A 761 -3.822 45.750 30.337 1.00 61.78 C ATOM 376 CG TYR A 761 -3.693 45.386 28.865 1.00 60.81 C ATOM 377 CD1 TYR A 761 -4.807 45.354 28.020 1.00 62.67 C ATOM 378 CD2 TYR A 761 -2.465 45.015 28.322 1.00 60.33 C ATOM 379 CE1 TYR A 761 -4.695 44.952 26.676 1.00 57.27 C ATOM 380 CE2 TYR A 761 -2.348 44.623 26.989 1.00 57.57 C ATOM 381 CZ TYR A 761 -3.479 44.584 26.176 1.00 53.31 C ATOM 382 OH TYR A 761 -3.353 44.199 24.867 1.00 47.31 O ATOM 383 HH TYR A 761 -4.241 44.224 24.430 1.00 0.00 H ATOM 384 H TYR A 761 -6.292 44.993 30.657 1.00 0.00 H ATOM 385 N GLU A 762 -4.895 44.725 33.579 1.00 72.28 N ATOM 386 CA GLU A 762 -4.609 44.613 35.020 1.00 79.92 C ATOM 387 C GLU A 762 -4.471 43.175 35.482 1.00 77.19 C ATOM 388 O GLU A 762 -3.882 42.936 36.507 1.00 85.47 O ATOM 389 CB GLU A 762 -5.664 45.294 35.904 1.00 85.36 C ATOM 390 CG GLU A 762 -5.584 46.797 35.879 1.00 92.56 C ATOM 391 CD GLU A 762 -6.057 47.382 34.568 1.00 96.98 C ATOM 392 OE1 GLU A 762 -7.285 47.467 34.367 1.00 99.92 O ATOM 393 OE2 GLU A 762 -5.202 47.764 33.742 1.00 98.31 O ATOM 394 H GLU A 762 -5.880 44.806 33.254 1.00 0.00 H ATOM 395 N VAL A 763 -5.080 42.244 34.764 1.00 73.36 N ATOM 396 CA VAL A 763 -5.128 40.831 35.161 1.00 71.48 C ATOM 397 C VAL A 763 -4.004 40.051 34.462 1.00 67.63 C ATOM 398 O VAL A 763 -3.305 39.274 35.091 1.00 60.99 O ATOM 399 CB VAL A 763 -6.511 40.219 34.798 1.00 74.66 C ATOM 400 CG1 VAL A 763 -6.534 38.715 34.986 1.00 76.26 C ATOM 401 CG2 VAL A 763 -7.605 40.868 35.640 1.00 86.63 C ATOM 402 H VAL A 763 -5.546 42.526 33.878 1.00 0.00 H ATOM 403 N ILE A 764 -3.840 40.282 33.162 1.00 57.02 N ATOM 404 CA ILE A 764 -2.869 39.596 32.380 1.00 55.31 C ATOM 405 C ILE A 764 -1.549 40.391 32.314 1.00 58.30 C ATOM 406 O ILE A 764 -1.463 41.411 31.674 1.00 58.30 O ATOM 407 CB ILE A 764 -3.416 39.385 30.979 1.00 51.76 C ATOM 408 CG1 ILE A 764 -4.756 38.628 31.036 1.00 52.96 C ATOM 409 CG2 ILE A 764 -2.411 38.668 30.116 1.00 51.19 C ATOM 410 CD1 ILE A 764 -4.736 37.311 31.789 1.00 55.11 C ATOM 411 H ILE A 764 -4.444 40.991 32.700 1.00 0.00 H ATOM 412 N ARG A 765 -0.514 39.880 32.969 1.00 59.84 N ATOM 413 CA ARG A 765 0.754 40.593 33.091 1.00 60.83 C ATOM 414 C ARG A 765 1.644 40.511 31.862 1.00 55.34 C ATOM 415 O ARG A 765 2.462 41.392 31.633 1.00 52.57 O ATOM 416 CB ARG A 765 1.568 40.035 34.269 1.00 71.65 C ATOM 417 CG ARG A 765 0.865 39.943 35.632 1.00 82.36 C ATOM 418 CD ARG A 765 -0.083 41.108 35.920 1.00 91.22 C ATOM 419 NE ARG A 765 0.537 42.410 35.662 1.00 98.10 N ATOM 420 CZ ARG A 765 -0.097 43.571 35.766 1.00104.85 C ATOM 421 NH1 ARG A 765 0.546 44.709 35.515 1.00103.56 N ATOM 422 NH2 ARG A 765 -1.372 43.595 36.141 1.00107.56 N ATOM 423 HE ARG A 765 1.538 42.425 35.379 1.00 0.00 H ATOM 424 HH12 ARG A 765 0.047 45.618 35.597 1.00 0.00 H ATOM 425 HH11 ARG A 765 1.548 44.690 35.237 1.00 0.00 H ATOM 426 HH22 ARG A 765 -1.873 44.503 36.224 1.00 0.00 H ATOM 427 HH21 ARG A 765 -1.869 42.706 36.352 1.00 0.00 H ATOM 428 H ARG A 765 -0.609 38.943 33.409 1.00 0.00 H ATOM 429 N PHE A 766 1.547 39.413 31.119 1.00 48.28 N ATOM 430 CA PHE A 766 2.367 39.224 29.932 1.00 49.36 C ATOM 431 C PHE A 766 1.480 38.925 28.740 1.00 45.50 C ATOM 432 O PHE A 766 1.359 37.819 28.314 1.00 42.73 O ATOM 433 CB PHE A 766 3.435 38.141 30.169 1.00 50.38 C ATOM 434 CG PHE A 766 4.371 38.489 31.305 1.00 55.56 C ATOM 435 CD1 PHE A 766 5.329 39.494 31.157 1.00 57.11 C ATOM 436 CD2 PHE A 766 4.208 37.908 32.546 1.00 56.96 C ATOM 437 CE1 PHE A 766 6.150 39.857 32.213 1.00 64.47 C ATOM 438 CE2 PHE A 766 5.010 38.273 33.618 1.00 63.27 C ATOM 439 CZ PHE A 766 5.987 39.248 33.455 1.00 65.44 C ATOM 440 H PHE A 766 0.870 38.672 31.392 1.00 0.00 H ATOM 441 N PRO A 767 0.844 39.948 28.198 1.00 47.99 N ATOM 442 CA PRO A 767 0.016 39.725 26.999 1.00 44.79 C ATOM 443 C PRO A 767 0.821 39.221 25.791 1.00 41.16 C ATOM 444 O PRO A 767 1.997 39.475 25.662 1.00 39.97 O ATOM 445 CB PRO A 767 -0.587 41.112 26.718 1.00 48.59 C ATOM 446 CG PRO A 767 -0.148 42.001 27.857 1.00 51.89 C ATOM 447 CD PRO A 767 0.996 41.372 28.548 1.00 50.71 C ATOM 448 N MET A 768 0.187 38.460 24.930 1.00 39.15 N ATOM 449 CA MET A 768 0.868 37.991 23.771 1.00 36.98 C ATOM 450 C MET A 768 -0.164 37.679 22.706 1.00 36.51 C ATOM 451 O MET A 768 -1.325 37.346 23.009 1.00 38.91 O ATOM 452 CB MET A 768 1.679 36.723 24.128 1.00 37.19 C ATOM 453 CG MET A 768 2.600 36.195 23.024 1.00 37.19 C ATOM 454 SD MET A 768 3.703 37.450 22.207 1.00 40.80 S ATOM 455 CE MET A 768 4.563 38.046 23.654 1.00 41.64 C ATOM 456 H MET A 768 -0.807 38.201 25.093 1.00 0.00 H ATOM 457 N ASP A 769 0.268 37.739 21.456 1.00 35.40 N ATOM 458 CA ASP A 769 -0.605 37.478 20.314 1.00 35.03 C ATOM 459 C ASP A 769 0.256 37.084 19.120 1.00 35.60 C ATOM 460 O ASP A 769 1.508 37.164 19.149 1.00 34.34 O ATOM 461 CB ASP A 769 -1.393 38.720 19.995 1.00 37.63 C ATOM 462 CG ASP A 769 -0.495 39.828 19.535 1.00 41.54 C ATOM 463 OD1 ASP A 769 0.110 40.557 20.388 1.00 43.55 O ATOM 464 OD2 ASP A 769 -0.279 39.871 18.312 1.00 42.86 O ATOM 465 H ASP A 769 1.264 37.981 21.281 1.00 0.00 H ATOM 466 N LEU A 770 -0.386 36.602 18.076 1.00 32.79 N ATOM 467 CA LEU A 770 0.379 36.006 17.010 1.00 35.44 C ATOM 468 C LEU A 770 1.065 37.011 16.080 1.00 34.79 C ATOM 469 O LEU A 770 2.081 36.655 15.445 1.00 34.38 O ATOM 470 CB LEU A 770 -0.511 35.067 16.189 1.00 35.14 C ATOM 471 CG LEU A 770 -1.124 33.918 16.988 1.00 36.52 C ATOM 472 CD1 LEU A 770 -2.178 33.195 16.138 1.00 39.06 C ATOM 473 CD2 LEU A 770 -0.099 32.942 17.453 1.00 33.29 C ATOM 474 H LEU A 770 -1.423 36.650 18.022 1.00 0.00 H ATOM 475 N LYS A 771 0.541 38.233 16.002 1.00 35.16 N ATOM 476 CA LYS A 771 1.255 39.303 15.272 1.00 37.31 C ATOM 477 C LYS A 771 2.568 39.655 15.978 1.00 37.74 C ATOM 478 O LYS A 771 3.623 39.807 15.357 1.00 38.87 O ATOM 479 CB LYS A 771 0.367 40.533 15.164 1.00 40.11 C ATOM 480 CG LYS A 771 0.988 41.691 14.409 1.00 47.80 C ATOM 481 CD LYS A 771 -0.017 42.820 14.337 1.00 54.98 C ATOM 482 CE LYS A 771 0.428 43.872 13.367 1.00 64.16 C ATOM 483 NZ LYS A 771 -0.710 44.795 13.110 1.00 75.42 N ATOM 484 HZ1 LYS A 771 -1.506 44.259 12.710 1.00 0.00 H ATOM 485 HZ2 LYS A 771 -1.003 45.239 14.004 1.00 0.00 H ATOM 486 HZ3 LYS A 771 -0.413 45.531 12.437 1.00 0.00 H ATOM 487 H LYS A 771 -0.373 38.435 16.456 1.00 0.00 H ATOM 488 N THR A 772 2.508 39.823 17.282 1.00 37.08 N ATOM 489 CA THR A 772 3.711 40.095 18.084 1.00 36.36 C ATOM 490 C THR A 772 4.709 38.935 17.965 1.00 35.31 C ATOM 491 O THR A 772 5.874 39.149 17.764 1.00 39.60 O ATOM 492 CB THR A 772 3.324 40.279 19.521 1.00 37.72 C ATOM 493 OG1 THR A 772 2.394 41.330 19.600 1.00 38.41 O ATOM 494 CG2 THR A 772 4.511 40.570 20.373 1.00 40.04 C ATOM 495 HG1 THR A 772 1.595 41.104 19.060 1.00 0.00 H ATOM 496 H THR A 772 1.585 39.762 17.758 1.00 0.00 H ATOM 497 N MET A 773 4.240 37.711 17.993 1.00 35.65 N ATOM 498 CA MET A 773 5.156 36.571 17.762 1.00 37.10 C ATOM 499 C MET A 773 5.790 36.580 16.402 1.00 37.25 C ATOM 500 O MET A 773 6.972 36.278 16.300 1.00 36.45 O ATOM 501 CB MET A 773 4.466 35.228 17.979 1.00 35.84 C ATOM 502 CG MET A 773 4.104 34.986 19.427 1.00 36.32 C ATOM 503 SD MET A 773 3.622 33.253 19.735 1.00 38.25 S ATOM 504 CE MET A 773 5.155 32.403 19.425 1.00 36.10 C ATOM 505 H MET A 773 3.230 37.542 18.176 1.00 0.00 H ATOM 506 N SER A 774 5.029 36.936 15.350 1.00 37.20 N ATOM 507 CA SER A 774 5.626 37.073 14.017 1.00 38.64 C ATOM 508 C SER A 774 6.745 38.096 13.960 1.00 40.07 C ATOM 509 O SER A 774 7.753 37.864 13.304 1.00 39.54 O ATOM 510 CB SER A 774 4.563 37.457 12.956 1.00 40.99 C ATOM 511 OG SER A 774 3.590 36.413 12.885 1.00 41.65 O ATOM 512 HG SER A 774 3.159 36.304 13.770 1.00 0.00 H ATOM 513 H SER A 774 4.013 37.115 15.483 1.00 0.00 H ATOM 514 N GLU A 775 6.551 39.232 14.629 1.00 40.68 N ATOM 515 CA GLU A 775 7.571 40.251 14.684 1.00 45.39 C ATOM 516 C GLU A 775 8.789 39.753 15.403 1.00 43.24 C ATOM 517 O GLU A 775 9.887 39.940 14.925 1.00 40.24 O ATOM 518 CB GLU A 775 7.083 41.512 15.399 1.00 50.18 C ATOM 519 CG GLU A 775 5.986 42.252 14.690 1.00 64.14 C ATOM 520 CD GLU A 775 5.404 43.367 15.552 1.00 75.26 C ATOM 521 OE1 GLU A 775 6.131 43.820 16.497 1.00 79.42 O ATOM 522 OE2 GLU A 775 4.257 43.808 15.249 1.00 74.09 O ATOM 523 H GLU A 775 5.648 39.387 15.121 1.00 0.00 H ATOM 524 N ARG A 776 8.583 39.194 16.589 1.00 40.48 N ATOM 525 CA ARG A 776 9.686 38.613 17.368 1.00 41.90 C ATOM 526 C ARG A 776 10.460 37.589 16.535 1.00 40.16 C ATOM 527 O ARG A 776 11.670 37.569 16.550 1.00 42.65 O ATOM 528 CB ARG A 776 9.153 37.947 18.624 1.00 42.11 C ATOM 529 CG ARG A 776 8.718 38.954 19.661 1.00 43.25 C ATOM 530 CD ARG A 776 8.272 38.290 20.961 1.00 41.73 C ATOM 531 NE ARG A 776 8.088 39.293 21.985 1.00 44.57 N ATOM 532 CZ ARG A 776 8.022 39.061 23.296 1.00 47.79 C ATOM 533 NH1 ARG A 776 8.097 37.812 23.806 1.00 43.85 N ATOM 534 NH2 ARG A 776 7.862 40.088 24.100 1.00 44.40 N ATOM 535 HE ARG A 776 7.999 40.281 21.672 1.00 0.00 H ATOM 536 HH12 ARG A 776 8.042 37.666 24.834 1.00 0.00 H ATOM 537 HH11 ARG A 776 8.210 36.997 23.170 1.00 0.00 H ATOM 538 HH22 ARG A 776 7.807 39.940 25.128 1.00 0.00 H ATOM 539 HH21 ARG A 776 7.791 41.049 23.708 1.00 0.00 H ATOM 540 H ARG A 776 7.618 39.166 16.976 1.00 0.00 H ATOM 541 N LEU A 777 9.753 36.753 15.800 1.00 38.04 N ATOM 542 CA LEU A 777 10.422 35.778 14.968 1.00 40.90 C ATOM 543 C LEU A 777 11.290 36.437 13.868 1.00 43.19 C ATOM 544 O LEU A 777 12.478 36.115 13.687 1.00 44.61 O ATOM 545 CB LEU A 777 9.392 34.854 14.336 1.00 41.20 C ATOM 546 CG LEU A 777 9.935 33.800 13.370 1.00 43.60 C ATOM 547 CD1 LEU A 777 10.760 32.787 14.120 1.00 46.72 C ATOM 548 CD2 LEU A 777 8.819 33.112 12.630 1.00 48.75 C ATOM 549 H LEU A 777 8.714 36.795 15.819 1.00 0.00 H ATOM 550 N LYS A 778 10.683 37.376 13.147 1.00 41.35 N ATOM 551 CA LYS A 778 11.413 38.164 12.124 1.00 43.73 C ATOM 552 C LYS A 778 12.603 38.923 12.698 1.00 42.67 C ATOM 553 O LYS A 778 13.692 39.059 12.067 1.00 44.14 O ATOM 554 CB LYS A 778 10.364 39.073 11.468 1.00 45.63 C ATOM 555 CG LYS A 778 10.833 40.154 10.542 1.00 50.85 C ATOM 556 CD LYS A 778 11.104 39.549 9.204 1.00 53.45 C ATOM 557 CE LYS A 778 11.514 40.632 8.243 1.00 59.90 C ATOM 558 NZ LYS A 778 11.488 40.125 6.863 1.00 64.84 N ATOM 559 HZ1 LYS A 778 12.147 39.325 6.776 1.00 0.00 H ATOM 560 HZ2 LYS A 778 10.525 39.809 6.629 1.00 0.00 H ATOM 561 HZ3 LYS A 778 11.773 40.883 6.211 1.00 0.00 H ATOM 562 H LYS A 778 9.672 37.562 13.304 1.00 0.00 H ATOM 563 N ASN A 779 12.438 39.370 13.929 1.00 41.96 N ATOM 564 CA ASN A 779 13.488 40.036 14.661 1.00 44.85 C ATOM 565 C ASN A 779 14.548 39.111 15.274 1.00 46.44 C ATOM 566 O ASN A 779 15.429 39.592 15.988 1.00 46.48 O ATOM 567 CB ASN A 779 12.875 40.888 15.781 1.00 45.63 C ATOM 568 CG ASN A 779 12.109 42.078 15.255 1.00 46.11 C ATOM 569 OD1 ASN A 779 12.252 42.455 14.095 1.00 47.71 O ATOM 570 ND2 ASN A 779 11.328 42.703 16.117 1.00 43.61 N ATOM 571 HD22 ASN A 779 11.238 42.347 17.090 1.00 0.00 H ATOM 572 HD21 ASN A 779 10.803 43.551 15.823 1.00 0.00 H ATOM 573 H ASN A 779 11.515 39.237 14.389 1.00 0.00 H ATOM 574 N ARG A 780 14.488 37.814 14.979 1.00 45.76 N ATOM 575 CA ARG A 780 15.517 36.869 15.434 1.00 46.94 C ATOM 576 C ARG A 780 15.574 36.770 16.961 1.00 45.97 C ATOM 577 O ARG A 780 16.584 36.452 17.534 1.00 45.43 O ATOM 578 CB ARG A 780 16.871 37.210 14.860 1.00 50.83 C ATOM 579 CG ARG A 780 16.953 37.024 13.354 1.00 54.25 C ATOM 580 CD ARG A 780 16.327 35.711 12.950 1.00 53.79 C ATOM 581 NE ARG A 780 16.469 35.413 11.560 1.00 57.51 N ATOM 582 CZ ARG A 780 17.067 34.340 11.056 1.00 61.30 C ATOM 583 NH1 ARG A 780 17.617 33.420 11.821 1.00 62.72 N ATOM 584 NH2 ARG A 780 17.121 34.201 9.746 1.00 65.67 N ATOM 585 HE ARG A 780 16.069 36.095 10.885 1.00 0.00 H ATOM 586 HH12 ARG A 780 18.077 32.593 11.390 1.00 0.00 H ATOM 587 HH11 ARG A 780 17.592 33.521 12.856 1.00 0.00 H ATOM 588 HH22 ARG A 780 17.585 33.368 9.330 1.00 0.00 H ATOM 589 HH21 ARG A 780 16.700 34.924 9.129 1.00 0.00 H ATOM 590 H ARG A 780 13.692 37.460 14.411 1.00 0.00 H ATOM 591 N TYR A 781 14.438 36.981 17.590 1.00 45.82 N ATOM 592 CA TYR A 781 14.314 36.827 19.030 1.00 47.19 C ATOM 593 C TYR A 781 14.291 35.367 19.523 1.00 47.38 C ATOM 594 O TYR A 781 14.785 35.047 20.641 1.00 44.93 O ATOM 595 CB TYR A 781 13.025 37.491 19.463 1.00 44.06 C ATOM 596 CG TYR A 781 12.745 37.357 20.927 1.00 45.37 C ATOM 597 CD1 TYR A 781 13.488 38.073 21.880 1.00 49.38 C ATOM 598 CD2 TYR A 781 11.734 36.521 21.362 1.00 44.29 C ATOM 599 CE1 TYR A 781 13.222 37.943 23.222 1.00 52.82 C ATOM 600 CE2 TYR A 781 11.459 36.378 22.707 1.00 48.58 C ATOM 601 CZ TYR A 781 12.200 37.085 23.617 1.00 52.29 C ATOM 602 OH TYR A 781 11.880 36.931 24.914 1.00 60.30 O ATOM 603 HH TYR A 781 12.481 37.488 25.469 1.00 0.00 H ATOM 604 H TYR A 781 13.603 37.267 17.040 1.00 0.00 H ATOM 605 N TYR A 782 13.659 34.499 18.737 1.00 45.28 N ATOM 606 CA TYR A 782 13.438 33.126 19.171 1.00 46.72 C ATOM 607 C TYR A 782 14.703 32.310 18.929 1.00 48.72 C ATOM 608 O TYR A 782 14.744 31.459 18.058 1.00 53.97 O ATOM 609 CB TYR A 782 12.230 32.527 18.483 1.00 42.01 C ATOM 610 CG TYR A 782 10.947 33.200 18.925 1.00 41.69 C ATOM 611 CD1 TYR A 782 10.614 33.297 20.260 1.00 43.54 C ATOM 612 CD2 TYR A 782 10.082 33.767 18.004 1.00 42.53 C ATOM 613 CE1 TYR A 782 9.440 33.883 20.664 1.00 40.77 C ATOM 614 CE2 TYR A 782 8.914 34.376 18.398 1.00 39.08 C ATOM 615 CZ TYR A 782 8.608 34.453 19.724 1.00 39.15 C ATOM 616 OH TYR A 782 7.447 35.074 20.140 1.00 38.89 O ATOM 617 HH TYR A 782 7.389 35.036 21.128 1.00 0.00 H ATOM 618 H TYR A 782 13.319 34.804 17.803 1.00 0.00 H ATOM 619 N VAL A 783 15.734 32.574 19.721 1.00 52.83 N ATOM 620 CA VAL A 783 16.980 31.831 19.583 1.00 57.86 C ATOM 621 C VAL A 783 16.899 30.404 20.161 1.00 61.02 C ATOM 622 O VAL A 783 17.823 29.630 19.963 1.00 62.05 O ATOM 623 CB VAL A 783 18.190 32.559 20.198 1.00 59.42 C ATOM 624 CG1 VAL A 783 18.493 33.844 19.422 1.00 59.16 C ATOM 625 CG2 VAL A 783 17.988 32.810 21.694 1.00 58.90 C ATOM 626 H VAL A 783 15.652 33.316 20.445 1.00 0.00 H ATOM 627 N SER A 784 15.798 30.057 20.842 1.00 60.51 N ATOM 628 CA SER A 784 15.607 28.702 21.389 1.00 62.32 C ATOM 629 C SER A 784 14.181 28.318 21.263 1.00 58.99 C ATOM 630 O SER A 784 13.275 29.180 21.153 1.00 57.19 O ATOM 631 CB SER A 784 15.993 28.633 22.880 1.00 61.80 C ATOM 632 OG SER A 784 15.007 29.277 23.669 1.00 60.07 O ATOM 633 HG SER A 784 14.135 28.827 23.537 1.00 0.00 H ATOM 634 H SER A 784 15.053 30.768 20.989 1.00 0.00 H ATOM 635 N LYS A 785 13.950 27.017 21.283 1.00 57.93 N ATOM 636 CA LYS A 785 12.582 26.511 21.187 1.00 54.56 C ATOM 637 C LYS A 785 11.788 26.917 22.412 1.00 50.11 C ATOM 638 O LYS A 785 10.595 27.199 22.339 1.00 46.12 O ATOM 639 CB LYS A 785 12.558 24.999 21.011 1.00 61.82 C ATOM 640 CG LYS A 785 13.519 24.232 21.929 1.00 67.69 C ATOM 641 CD LYS A 785 13.594 22.737 21.605 1.00 73.58 C ATOM 642 CE LYS A 785 14.055 21.945 22.819 1.00 75.41 C ATOM 643 NZ LYS A 785 13.917 20.490 22.600 1.00 80.70 N ATOM 644 HZ1 LYS A 785 12.919 20.261 22.416 1.00 0.00 H ATOM 645 HZ2 LYS A 785 14.495 20.207 21.783 1.00 0.00 H ATOM 646 HZ3 LYS A 785 14.240 19.981 23.447 1.00 0.00 H ATOM 647 H LYS A 785 14.744 26.351 21.367 1.00 0.00 H ATOM 648 N LYS A 786 12.453 26.947 23.545 1.00 51.69 N ATOM 649 CA LYS A 786 11.813 27.284 24.802 1.00 56.11 C ATOM 650 C LYS A 786 11.159 28.673 24.773 1.00 49.51 C ATOM 651 O LYS A 786 10.080 28.847 25.291 1.00 48.93 O ATOM 652 CB LYS A 786 12.860 27.184 25.913 1.00 59.62 C ATOM 653 CG LYS A 786 12.405 27.654 27.279 1.00 64.59 C ATOM 654 CD LYS A 786 13.514 27.436 28.314 1.00 69.75 C ATOM 655 CE LYS A 786 12.997 27.742 29.712 1.00 73.80 C ATOM 656 NZ LYS A 786 13.998 27.478 30.783 1.00 81.09 N ATOM 657 HZ1 LYS A 786 14.270 26.474 30.762 1.00 0.00 H ATOM 658 HZ2 LYS A 786 14.839 28.069 30.624 1.00 0.00 H ATOM 659 HZ3 LYS A 786 13.582 27.707 31.708 1.00 0.00 H ATOM 660 H LYS A 786 13.468 26.722 23.540 1.00 0.00 H ATOM 661 N LEU A 787 11.840 29.661 24.193 1.00 48.01 N ATOM 662 CA LEU A 787 11.299 31.023 24.138 1.00 44.57 C ATOM 663 C LEU A 787 10.067 31.053 23.280 1.00 41.19 C ATOM 664 O LEU A 787 9.081 31.684 23.632 1.00 41.34 O ATOM 665 CB LEU A 787 12.326 32.005 23.562 1.00 46.57 C ATOM 666 CG LEU A 787 13.447 32.357 24.518 1.00 50.86 C ATOM 667 CD1 LEU A 787 14.619 33.009 23.785 1.00 52.83 C ATOM 668 CD2 LEU A 787 12.896 33.246 25.619 1.00 50.08 C ATOM 669 H LEU A 787 12.770 29.463 23.773 1.00 0.00 H ATOM 670 N PHE A 788 10.111 30.349 22.158 1.00 40.15 N ATOM 671 CA PHE A 788 8.965 30.268 21.254 1.00 40.79 C ATOM 672 C PHE A 788 7.752 29.594 21.894 1.00 38.50 C ATOM 673 O PHE A 788 6.651 30.103 21.839 1.00 39.43 O ATOM 674 CB PHE A 788 9.389 29.522 19.982 1.00 41.31 C ATOM 675 CG PHE A 788 8.315 29.425 18.942 1.00 40.33 C ATOM 676 CD1 PHE A 788 8.089 30.475 18.069 1.00 39.70 C ATOM 677 CD2 PHE A 788 7.531 28.273 18.823 1.00 41.19 C ATOM 678 CE1 PHE A 788 7.119 30.384 17.113 1.00 40.66 C ATOM 679 CE2 PHE A 788 6.580 28.178 17.844 1.00 39.99 C ATOM 680 CZ PHE A 788 6.364 29.229 16.999 1.00 39.47 C ATOM 681 H PHE A 788 10.985 29.840 21.914 1.00 0.00 H ATOM 682 N MET A 789 7.972 28.445 22.514 1.00 42.68 N ATOM 683 CA MET A 789 6.889 27.701 23.162 1.00 42.67 C ATOM 684 C MET A 789 6.330 28.426 24.339 1.00 38.82 C ATOM 685 O MET A 789 5.151 28.418 24.525 1.00 38.09 O ATOM 686 CB MET A 789 7.348 26.285 23.556 1.00 48.97 C ATOM 687 CG MET A 789 7.525 25.440 22.293 1.00 52.96 C ATOM 688 SD MET A 789 8.064 23.731 22.407 1.00 62.91 S ATOM 689 CE MET A 789 9.697 23.853 23.169 1.00 60.65 C ATOM 690 H MET A 789 8.938 28.061 22.542 1.00 0.00 H ATOM 691 N ALA A 790 7.135 29.182 25.063 1.00 38.93 N ATOM 692 CA ALA A 790 6.589 29.981 26.176 1.00 37.82 C ATOM 693 C ALA A 790 5.649 31.065 25.696 1.00 38.38 C ATOM 694 O ALA A 790 4.537 31.263 26.258 1.00 37.26 O ATOM 695 CB ALA A 790 7.730 30.591 27.006 1.00 40.59 C ATOM 696 H ALA A 790 8.152 29.214 24.849 1.00 0.00 H ATOM 697 N ASP A 791 6.023 31.756 24.607 1.00 40.01 N ATOM 698 CA ASP A 791 5.149 32.847 24.089 1.00 38.08 C ATOM 699 C ASP A 791 3.848 32.279 23.580 1.00 33.36 C ATOM 700 O ASP A 791 2.755 32.744 23.898 1.00 33.90 O ATOM 701 CB ASP A 791 5.850 33.662 22.967 1.00 38.79 C ATOM 702 CG ASP A 791 6.811 34.710 23.490 1.00 40.64 C ATOM 703 OD1 ASP A 791 6.884 34.913 24.734 1.00 42.72 O ATOM 704 OD2 ASP A 791 7.491 35.381 22.636 1.00 42.44 O ATOM 705 H ASP A 791 6.918 31.531 24.127 1.00 0.00 H ATOM 706 N LEU A 792 3.951 31.260 22.774 1.00 34.46 N ATOM 707 CA LEU A 792 2.763 30.705 22.208 1.00 35.31 C ATOM 708 C LEU A 792 1.859 30.037 23.267 1.00 36.02 C ATOM 709 O LEU A 792 0.622 30.209 23.266 1.00 32.96 O ATOM 710 CB LEU A 792 3.154 29.716 21.129 1.00 39.67 C ATOM 711 CG LEU A 792 2.012 29.223 20.238 1.00 45.08 C ATOM 712 CD1 LEU A 792 0.920 30.236 19.952 1.00 45.85 C ATOM 713 CD2 LEU A 792 2.635 28.767 18.937 1.00 50.20 C ATOM 714 H LEU A 792 4.883 30.858 22.547 1.00 0.00 H ATOM 715 N GLN A 793 2.462 29.388 24.261 1.00 38.82 N ATOM 716 CA GLN A 793 1.634 28.871 25.344 1.00 38.85 C ATOM 717 C GLN A 793 0.920 30.013 26.085 1.00 39.95 C ATOM 718 O GLN A 793 -0.240 29.884 26.471 1.00 36.10 O ATOM 719 CB GLN A 793 2.493 28.029 26.295 1.00 39.97 C ATOM 720 CG GLN A 793 1.711 27.425 27.425 1.00 45.80 C ATOM 721 CD GLN A 793 0.873 26.228 26.988 1.00 52.90 C ATOM 722 OE1 GLN A 793 1.402 25.102 26.874 1.00 63.65 O ATOM 723 NE2 GLN A 793 -0.460 26.443 26.784 1.00 46.51 N ATOM 724 HE22 GLN A 793 -0.855 27.399 26.891 1.00 0.00 H ATOM 725 HE21 GLN A 793 -1.080 25.651 26.522 1.00 0.00 H ATOM 726 H GLN A 793 3.493 29.254 24.265 1.00 0.00 H ATOM 727 N ARG A 794 1.617 31.132 26.281 1.00 40.48 N ATOM 728 CA ARG A 794 1.020 32.276 26.951 1.00 43.04 C ATOM 729 C ARG A 794 -0.213 32.824 26.222 1.00 39.84 C ATOM 730 O ARG A 794 -1.184 33.243 26.832 1.00 37.87 O ATOM 731 CB ARG A 794 2.050 33.354 27.116 1.00 47.42 C ATOM 732 CG ARG A 794 1.572 34.376 28.110 1.00 61.03 C ATOM 733 CD ARG A 794 2.747 35.187 28.719 1.00 64.45 C ATOM 734 NE ARG A 794 4.027 34.528 28.530 1.00 73.64 N ATOM 735 CZ ARG A 794 4.987 34.882 27.659 1.00 78.03 C ATOM 736 NH1 ARG A 794 6.088 34.132 27.607 1.00 79.20 N ATOM 737 NH2 ARG A 794 4.902 35.973 26.869 1.00 74.25 N ATOM 738 HE ARG A 794 4.220 33.700 29.128 1.00 0.00 H ATOM 739 HH12 ARG A 794 6.852 34.375 26.945 1.00 0.00 H ATOM 740 HH11 ARG A 794 6.183 33.303 28.228 1.00 0.00 H ATOM 741 HH22 ARG A 794 5.675 36.201 26.212 1.00 0.00 H ATOM 742 HH21 ARG A 794 4.063 36.586 26.917 1.00 0.00 H ATOM 743 H ARG A 794 2.601 31.188 25.950 1.00 0.00 H ATOM 744 N VAL A 795 -0.219 32.734 24.910 1.00 36.66 N ATOM 745 CA VAL A 795 -1.377 33.186 24.188 1.00 33.92 C ATOM 746 C VAL A 795 -2.629 32.414 24.676 1.00 37.22 C ATOM 747 O VAL A 795 -3.728 32.982 24.898 1.00 33.63 O ATOM 748 CB VAL A 795 -1.181 32.940 22.675 1.00 35.25 C ATOM 749 CG1 VAL A 795 -2.482 33.186 21.925 1.00 38.98 C ATOM 750 CG2 VAL A 795 -0.096 33.823 22.123 1.00 38.37 C ATOM 751 H VAL A 795 0.600 32.342 24.403 1.00 0.00 H ATOM 752 N PHE A 796 -2.488 31.092 24.829 1.00 39.34 N ATOM 753 CA PHE A 796 -3.650 30.274 25.215 1.00 38.08 C ATOM 754 C PHE A 796 -4.019 30.429 26.661 1.00 37.61 C ATOM 755 O PHE A 796 -5.210 30.535 26.993 1.00 38.61 O ATOM 756 CB PHE A 796 -3.386 28.800 24.918 1.00 40.45 C ATOM 757 CG PHE A 796 -2.911 28.555 23.531 1.00 36.51 C ATOM 758 CD1 PHE A 796 -3.544 29.129 22.492 1.00 41.53 C ATOM 759 CD2 PHE A 796 -1.788 27.773 23.302 1.00 42.83 C ATOM 760 CE1 PHE A 796 -3.093 28.952 21.216 1.00 43.15 C ATOM 761 CE2 PHE A 796 -1.331 27.585 22.027 1.00 40.54 C ATOM 762 CZ PHE A 796 -1.987 28.185 20.983 1.00 41.17 C ATOM 763 H PHE A 796 -1.562 30.644 24.676 1.00 0.00 H ATOM 764 N THR A 797 -3.026 30.477 27.527 1.00 37.56 N ATOM 765 CA THR A 797 -3.308 30.473 28.922 1.00 40.46 C ATOM 766 C THR A 797 -3.832 31.841 29.384 1.00 41.77 C ATOM 767 O THR A 797 -4.636 31.901 30.302 1.00 38.12 O ATOM 768 CB THR A 797 -2.060 30.051 29.780 1.00 45.88 C ATOM 769 OG1 THR A 797 -0.994 30.997 29.620 1.00 51.28 O ATOM 770 CG2 THR A 797 -1.572 28.665 29.349 1.00 45.27 C ATOM 771 HG1 THR A 797 -1.300 31.891 29.916 1.00 0.00 H ATOM 772 H THR A 797 -2.042 30.518 27.193 1.00 0.00 H ATOM 773 N ASN A 798 -3.340 32.934 28.785 1.00 39.64 N ATOM 774 CA ASN A 798 -3.936 34.271 29.019 1.00 39.69 C ATOM 775 C ASN A 798 -5.419 34.249 28.687 1.00 37.52 C ATOM 776 O ASN A 798 -6.288 34.632 29.486 1.00 41.88 O ATOM 777 CB ASN A 798 -3.265 35.318 28.147 1.00 38.81 C ATOM 778 CG ASN A 798 -1.864 35.669 28.587 1.00 41.58 C ATOM 779 OD1 ASN A 798 -1.397 35.314 29.671 1.00 42.02 O ATOM 780 ND2 ASN A 798 -1.183 36.421 27.742 1.00 43.28 N ATOM 781 HD22 ASN A 798 -1.609 36.702 26.836 1.00 0.00 H ATOM 782 HD21 ASN A 798 -0.220 36.733 27.983 1.00 0.00 H ATOM 783 H ASN A 798 -2.526 32.843 28.145 1.00 0.00 H ATOM 784 N CYS A 799 -5.723 33.732 27.523 1.00 33.89 N ATOM 785 CA CYS A 799 -7.106 33.680 27.074 1.00 36.29 C ATOM 786 C CYS A 799 -7.971 32.842 28.059 1.00 38.92 C ATOM 787 O CYS A 799 -9.104 33.236 28.423 1.00 39.25 O ATOM 788 CB CYS A 799 -7.148 33.094 25.689 1.00 32.75 C ATOM 789 SG CYS A 799 -8.795 32.937 25.042 1.00 39.73 S ATOM 790 H CYS A 799 -4.969 33.355 26.914 1.00 0.00 H ATOM 791 N LYS A 800 -7.421 31.721 28.518 1.00 37.75 N ATOM 792 CA LYS A 800 -8.215 30.804 29.349 1.00 39.15 C ATOM 793 C LYS A 800 -8.376 31.315 30.701 1.00 40.95 C ATOM 794 O LYS A 800 -9.387 31.050 31.329 1.00 45.20 O ATOM 795 CB LYS A 800 -7.595 29.400 29.393 1.00 37.88 C ATOM 796 CG LYS A 800 -7.835 28.699 28.082 1.00 37.51 C ATOM 797 CD LYS A 800 -7.442 27.220 28.172 1.00 41.60 C ATOM 798 CE LYS A 800 -6.124 26.958 27.553 1.00 43.52 C ATOM 799 NZ LYS A 800 -5.546 25.649 27.980 1.00 46.40 N ATOM 800 HZ1 LYS A 800 -5.423 25.646 29.013 1.00 0.00 H ATOM 801 HZ2 LYS A 800 -6.190 24.880 27.704 1.00 0.00 H ATOM 802 HZ3 LYS A 800 -4.624 25.512 27.520 1.00 0.00 H ATOM 803 H LYS A 800 -6.432 31.494 28.290 1.00 0.00 H ATOM 804 N GLU A 801 -7.380 32.030 31.201 1.00 40.16 N ATOM 805 CA GLU A 801 -7.567 32.655 32.465 1.00 41.54 C ATOM 806 C GLU A 801 -8.667 33.731 32.469 1.00 44.51 C ATOM 807 O GLU A 801 -9.460 33.848 33.450 1.00 46.59 O ATOM 808 CB GLU A 801 -6.265 33.281 32.940 1.00 45.30 C ATOM 809 CG GLU A 801 -6.545 34.153 34.170 1.00 52.06 C ATOM 810 CD GLU A 801 -5.296 34.468 34.979 1.00 58.35 C ATOM 811 OE1 GLU A 801 -4.177 34.289 34.418 1.00 56.43 O ATOM 812 OE2 GLU A 801 -5.468 34.894 36.158 1.00 60.23 O ATOM 813 H GLU A 801 -6.484 32.132 30.683 1.00 0.00 H ATOM 814 N TYR A 802 -8.709 34.538 31.402 1.00 43.90 N ATOM 815 CA TYR A 802 -9.557 35.752 31.381 1.00 45.16 C ATOM 816 C TYR A 802 -10.998 35.461 30.976 1.00 44.24 C ATOM 817 O TYR A 802 -11.904 36.000 31.521 1.00 46.14 O ATOM 818 CB TYR A 802 -8.934 36.823 30.439 1.00 46.50 C ATOM 819 CG TYR A 802 -9.643 38.152 30.543 1.00 50.30 C ATOM 820 CD1 TYR A 802 -9.405 39.028 31.612 1.00 53.73 C ATOM 821 CD2 TYR A 802 -10.594 38.513 29.587 1.00 53.68 C ATOM 822 CE1 TYR A 802 -10.099 40.235 31.700 1.00 56.81 C ATOM 823 CE2 TYR A 802 -11.284 39.725 29.666 1.00 56.91 C ATOM 824 CZ TYR A 802 -11.039 40.572 30.713 1.00 58.03 C ATOM 825 OH TYR A 802 -11.730 41.755 30.719 1.00 64.05 O ATOM 826 HH TYR A 802 -11.473 42.282 31.517 1.00 0.00 H ATOM 827 H TYR A 802 -8.132 34.307 30.568 1.00 0.00 H ATOM 828 N ASN A 803 -11.206 34.603 30.008 1.00 43.84 N ATOM 829 CA ASN A 803 -12.531 34.411 29.446 1.00 45.69 C ATOM 830 C ASN A 803 -13.325 33.269 30.106 1.00 49.46 C ATOM 831 O ASN A 803 -12.730 32.330 30.625 1.00 47.62 O ATOM 832 CB ASN A 803 -12.365 34.170 27.955 1.00 43.59 C ATOM 833 CG ASN A 803 -11.759 35.394 27.252 1.00 44.19 C ATOM 834 OD1 ASN A 803 -12.439 36.347 27.005 1.00 43.37 O ATOM 835 ND2 ASN A 803 -10.481 35.370 26.993 1.00 45.16 N ATOM 836 HD22 ASN A 803 -9.920 34.524 27.221 1.00 0.00 H ATOM 837 HD21 ASN A 803 -10.023 36.196 26.558 1.00 0.00 H ATOM 838 H ASN A 803 -10.408 34.050 29.636 1.00 0.00 H ATOM 839 N PRO A 804 -14.664 33.358 30.067 1.00 51.67 N ATOM 840 CA PRO A 804 -15.492 32.255 30.552 1.00 51.94 C ATOM 841 C PRO A 804 -15.286 30.964 29.766 1.00 50.64 C ATOM 842 O PRO A 804 -14.939 31.000 28.560 1.00 44.42 O ATOM 843 CB PRO A 804 -16.932 32.751 30.390 1.00 55.76 C ATOM 844 CG PRO A 804 -16.835 34.214 30.085 1.00 56.61 C ATOM 845 CD PRO A 804 -15.465 34.490 29.562 1.00 51.51 C ATOM 846 N PRO A 805 -15.444 29.818 30.471 1.00 50.58 N ATOM 847 CA PRO A 805 -14.952 28.546 29.962 1.00 49.42 C ATOM 848 C PRO A 805 -15.738 28.080 28.748 1.00 50.46 C ATOM 849 O PRO A 805 -15.202 27.325 27.936 1.00 47.98 O ATOM 850 CB PRO A 805 -15.167 27.586 31.147 1.00 52.67 C ATOM 851 CG PRO A 805 -16.211 28.245 32.011 1.00 56.42 C ATOM 852 CD PRO A 805 -15.967 29.711 31.849 1.00 54.77 C ATOM 853 N GLU A 806 -17.001 28.501 28.626 1.00 49.00 N ATOM 854 CA GLU A 806 -17.770 28.156 27.450 1.00 53.85 C ATOM 855 C GLU A 806 -17.793 29.292 26.420 1.00 52.26 C ATOM 856 O GLU A 806 -18.538 29.219 25.453 1.00 55.56 O ATOM 857 CB GLU A 806 -19.204 27.733 27.844 1.00 58.64 C ATOM 858 CG GLU A 806 -19.236 26.624 28.912 1.00 64.20 C ATOM 859 CD GLU A 806 -18.307 25.458 28.547 1.00 65.29 C ATOM 860 OE1 GLU A 806 -18.443 24.944 27.420 1.00 65.25 O ATOM 861 OE2 GLU A 806 -17.416 25.079 29.352 1.00 62.24 O ATOM 862 H GLU A 806 -17.431 29.077 29.377 1.00 0.00 H ATOM 863 N SER A 807 -16.978 30.326 26.603 1.00 49.92 N ATOM 864 CA SER A 807 -16.905 31.401 25.598 1.00 48.60 C ATOM 865 C SER A 807 -16.217 30.896 24.317 1.00 48.01 C ATOM 866 O SER A 807 -15.435 29.928 24.326 1.00 43.07 O ATOM 867 CB SER A 807 -16.165 32.627 26.133 1.00 44.91 C ATOM 868 OG SER A 807 -14.795 32.364 26.233 1.00 43.37 O ATOM 869 HG SER A 807 -14.650 31.604 26.851 1.00 0.00 H ATOM 870 H SER A 807 -16.390 30.376 27.459 1.00 0.00 H ATOM 871 N GLU A 808 -16.538 31.547 23.205 1.00 47.12 N ATOM 872 CA GLU A 808 -15.945 31.247 21.922 1.00 45.58 C ATOM 873 C GLU A 808 -14.455 31.395 21.974 1.00 43.27 C ATOM 874 O GLU A 808 -13.722 30.605 21.368 1.00 41.08 O ATOM 875 CB GLU A 808 -16.529 32.189 20.887 1.00 52.17 C ATOM 876 CG GLU A 808 -15.901 32.088 19.528 1.00 56.07 C ATOM 877 CD GLU A 808 -16.695 32.853 18.480 1.00 61.78 C ATOM 878 OE1 GLU A 808 -17.010 34.055 18.710 1.00 67.73 O ATOM 879 OE2 GLU A 808 -17.016 32.249 17.433 1.00 58.09 O ATOM 880 H GLU A 808 -17.247 32.306 23.260 1.00 0.00 H ATOM 881 N TYR A 809 -13.964 32.369 22.727 1.00 42.92 N ATOM 882 CA TYR A 809 -12.518 32.561 22.787 1.00 39.78 C ATOM 883 C TYR A 809 -11.855 31.369 23.471 1.00 39.93 C ATOM 884 O TYR A 809 -10.848 30.899 22.991 1.00 38.26 O ATOM 885 CB TYR A 809 -12.106 33.876 23.473 1.00 41.46 C ATOM 886 CG TYR A 809 -12.549 35.187 22.765 1.00 42.26 C ATOM 887 CD1 TYR A 809 -12.670 35.286 21.388 1.00 40.62 C ATOM 888 CD2 TYR A 809 -12.863 36.318 23.529 1.00 47.87 C ATOM 889 CE1 TYR A 809 -13.118 36.488 20.788 1.00 43.99 C ATOM 890 CE2 TYR A 809 -13.320 37.499 22.966 1.00 46.88 C ATOM 891 CZ TYR A 809 -13.448 37.600 21.599 1.00 46.28 C ATOM 892 OH TYR A 809 -13.875 38.834 21.094 1.00 48.54 O ATOM 893 HH TYR A 809 -13.929 38.785 20.107 1.00 0.00 H ATOM 894 H TYR A 809 -14.601 32.988 23.268 1.00 0.00 H ATOM 895 N TYR A 810 -12.422 30.911 24.597 1.00 41.09 N ATOM 896 CA TYR A 810 -11.889 29.777 25.333 1.00 40.95 C ATOM 897 C TYR A 810 -11.901 28.539 24.455 1.00 38.53 C ATOM 898 O TYR A 810 -10.900 27.904 24.342 1.00 37.29 O ATOM 899 CB TYR A 810 -12.665 29.559 26.653 1.00 43.35 C ATOM 900 CG TYR A 810 -11.925 28.734 27.737 1.00 40.53 C ATOM 901 CD1 TYR A 810 -11.647 27.376 27.562 1.00 39.30 C ATOM 902 CD2 TYR A 810 -11.541 29.316 28.937 1.00 42.28 C ATOM 903 CE1 TYR A 810 -10.967 26.637 28.566 1.00 38.03 C ATOM 904 CE2 TYR A 810 -10.927 28.565 29.960 1.00 42.90 C ATOM 905 CZ TYR A 810 -10.605 27.245 29.738 1.00 37.99 C ATOM 906 OH TYR A 810 -9.975 26.553 30.744 1.00 43.00 O ATOM 907 HH TYR A 810 -9.806 25.624 30.448 1.00 0.00 H ATOM 908 H TYR A 810 -13.275 31.385 24.957 1.00 0.00 H ATOM 909 N LYS A 811 -13.000 28.278 23.748 1.00 40.60 N ATOM 910 CA LYS A 811 -13.042 27.150 22.832 1.00 43.40 C ATOM 911 C LYS A 811 -11.922 27.187 21.807 1.00 41.92 C ATOM 912 O LYS A 811 -11.257 26.143 21.547 1.00 40.63 O ATOM 913 CB LYS A 811 -14.363 27.050 22.077 1.00 47.19 C ATOM 914 CG LYS A 811 -15.555 26.696 22.914 1.00 57.33 C ATOM 915 CD LYS A 811 -16.729 26.471 21.962 1.00 63.06 C ATOM 916 CE LYS A 811 -18.081 26.638 22.600 1.00 69.00 C ATOM 917 NZ LYS A 811 -18.058 26.603 24.076 1.00 72.78 N ATOM 918 HZ1 LYS A 811 -17.679 25.688 24.394 1.00 0.00 H ATOM 919 HZ2 LYS A 811 -17.454 27.372 24.430 1.00 0.00 H ATOM 920 HZ3 LYS A 811 -19.025 26.724 24.440 1.00 0.00 H ATOM 921 H LYS A 811 -13.836 28.888 23.853 1.00 0.00 H ATOM 922 N CYS A 812 -11.709 28.368 21.191 1.00 41.16 N ATOM 923 CA CYS A 812 -10.658 28.526 20.176 1.00 36.46 C ATOM 924 C CYS A 812 -9.316 28.285 20.761 1.00 34.71 C ATOM 925 O CYS A 812 -8.482 27.615 20.165 1.00 31.90 O ATOM 926 CB CYS A 812 -10.697 29.958 19.526 1.00 37.27 C ATOM 927 SG CYS A 812 -12.126 30.165 18.472 1.00 45.32 S ATOM 928 H CYS A 812 -12.302 29.185 21.440 1.00 0.00 H ATOM 929 N ALA A 813 -9.073 28.833 21.939 1.00 35.09 N ATOM 930 CA ALA A 813 -7.775 28.635 22.550 1.00 36.66 C ATOM 931 C ALA A 813 -7.429 27.131 22.721 1.00 39.19 C ATOM 932 O ALA A 813 -6.330 26.726 22.433 1.00 38.53 O ATOM 933 CB ALA A 813 -7.718 29.296 23.894 1.00 37.67 C ATOM 934 H ALA A 813 -9.802 29.397 22.420 1.00 0.00 H ATOM 935 N ASN A 814 -8.365 26.334 23.219 1.00 40.79 N ATOM 936 CA ASN A 814 -8.072 24.917 23.454 1.00 39.45 C ATOM 937 C ASN A 814 -7.938 24.100 22.185 1.00 38.39 C ATOM 938 O ASN A 814 -7.090 23.231 22.108 1.00 34.38 O ATOM 939 CB ASN A 814 -9.121 24.287 24.315 1.00 43.34 C ATOM 940 CG ASN A 814 -8.745 24.291 25.780 1.00 44.25 C ATOM 941 OD1 ASN A 814 -7.580 24.533 26.183 1.00 47.80 O ATOM 942 ND2 ASN A 814 -9.722 24.063 26.587 1.00 49.11 N ATOM 943 HD22 ASN A 814 -10.672 23.867 26.211 1.00 0.00 H ATOM 944 HD21 ASN A 814 -9.561 24.075 27.614 1.00 0.00 H ATOM 945 H ASN A 814 -9.307 26.714 23.443 1.00 0.00 H ATOM 946 N ILE A 815 -8.744 24.425 21.165 1.00 37.47 N ATOM 947 CA ILE A 815 -8.577 23.827 19.856 1.00 39.33 C ATOM 948 C ILE A 815 -7.220 24.144 19.289 1.00 37.54 C ATOM 949 O ILE A 815 -6.517 23.257 18.814 1.00 36.81 O ATOM 950 CB ILE A 815 -9.683 24.276 18.878 1.00 40.12 C ATOM 951 CG1 ILE A 815 -11.021 23.674 19.355 1.00 44.86 C ATOM 952 CG2 ILE A 815 -9.420 23.775 17.452 1.00 42.09 C ATOM 953 CD1 ILE A 815 -12.274 24.190 18.620 1.00 46.29 C ATOM 954 H ILE A 815 -9.503 25.119 21.316 1.00 0.00 H ATOM 955 N LEU A 816 -6.826 25.420 19.338 1.00 38.72 N ATOM 956 CA LEU A 816 -5.556 25.828 18.746 1.00 37.03 C ATOM 957 C LEU A 816 -4.375 25.260 19.543 1.00 36.48 C ATOM 958 O LEU A 816 -3.361 24.878 18.983 1.00 32.03 O ATOM 959 CB LEU A 816 -5.488 27.349 18.638 1.00 38.42 C ATOM 960 CG LEU A 816 -4.430 27.880 17.668 1.00 37.02 C ATOM 961 CD1 LEU A 816 -4.664 27.406 16.263 1.00 36.22 C ATOM 962 CD2 LEU A 816 -4.401 29.396 17.714 1.00 36.73 C ATOM 963 H LEU A 816 -7.430 26.128 19.802 1.00 0.00 H ATOM 964 N GLU A 817 -4.517 25.239 20.854 1.00 34.19 N ATOM 965 CA GLU A 817 -3.516 24.637 21.707 1.00 37.77 C ATOM 966 C GLU A 817 -3.306 23.174 21.369 1.00 36.56 C ATOM 967 O GLU A 817 -2.182 22.760 21.261 1.00 37.00 O ATOM 968 CB GLU A 817 -3.897 24.786 23.191 1.00 39.14 C ATOM 969 CG GLU A 817 -2.877 24.223 24.186 1.00 44.45 C ATOM 970 CD GLU A 817 -3.384 24.289 25.642 1.00 47.95 C ATOM 971 OE1 GLU A 817 -4.347 23.513 25.924 1.00 43.19 O ATOM 972 OE2 GLU A 817 -2.882 25.140 26.456 1.00 44.27 O ATOM 973 H GLU A 817 -5.364 25.663 21.282 1.00 0.00 H ATOM 974 N LYS A 818 -4.381 22.384 21.212 1.00 37.96 N ATOM 975 CA LYS A 818 -4.235 21.006 20.736 1.00 41.58 C ATOM 976 C LYS A 818 -3.430 20.942 19.441 1.00 41.91 C ATOM 977 O LYS A 818 -2.530 20.114 19.279 1.00 36.95 O ATOM 978 CB LYS A 818 -5.573 20.355 20.430 1.00 42.28 C ATOM 979 CG LYS A 818 -6.350 19.914 21.629 1.00 49.66 C ATOM 980 CD LYS A 818 -7.507 19.039 21.199 1.00 50.54 C ATOM 981 CE LYS A 818 -8.457 18.875 22.344 1.00 53.37 C ATOM 982 NZ LYS A 818 -9.498 17.902 21.949 1.00 56.89 N ATOM 983 HZ1 LYS A 818 -10.004 18.258 21.113 1.00 0.00 H ATOM 984 HZ2 LYS A 818 -9.051 16.991 21.723 1.00 0.00 H ATOM 985 HZ3 LYS A 818 -10.168 17.775 22.734 1.00 0.00 H ATOM 986 H LYS A 818 -5.328 22.755 21.431 1.00 0.00 H ATOM 987 N PHE A 819 -3.799 21.794 18.491 1.00 39.32 N ATOM 988 CA PHE A 819 -3.073 21.827 17.222 1.00 38.68 C ATOM 989 C PHE A 819 -1.609 22.156 17.464 1.00 39.20 C ATOM 990 O PHE A 819 -0.741 21.528 16.932 1.00 40.69 O ATOM 991 CB PHE A 819 -3.772 22.837 16.301 1.00 38.54 C ATOM 992 CG PHE A 819 -3.185 22.935 14.955 1.00 39.81 C ATOM 993 CD1 PHE A 819 -3.472 21.971 13.995 1.00 39.97 C ATOM 994 CD2 PHE A 819 -2.403 24.030 14.616 1.00 39.18 C ATOM 995 CE1 PHE A 819 -2.947 22.083 12.715 1.00 44.01 C ATOM 996 CE2 PHE A 819 -1.876 24.155 13.332 1.00 40.94 C ATOM 997 CZ PHE A 819 -2.148 23.173 12.386 1.00 42.25 C ATOM 998 H PHE A 819 -4.602 22.436 18.649 1.00 0.00 H ATOM 999 N PHE A 820 -1.342 23.149 18.297 1.00 38.49 N ATOM 1000 CA PHE A 820 0.025 23.554 18.617 1.00 39.38 C ATOM 1001 C PHE A 820 0.830 22.407 19.185 1.00 41.17 C ATOM 1002 O PHE A 820 1.937 22.135 18.692 1.00 43.62 O ATOM 1003 CB PHE A 820 -0.016 24.740 19.592 1.00 40.63 C ATOM 1004 CG PHE A 820 1.204 24.920 20.509 1.00 42.45 C ATOM 1005 CD1 PHE A 820 2.385 25.442 20.046 1.00 44.97 C ATOM 1006 CD2 PHE A 820 1.075 24.743 21.912 1.00 50.28 C ATOM 1007 CE1 PHE A 820 3.470 25.683 20.906 1.00 47.67 C ATOM 1008 CE2 PHE A 820 2.149 24.991 22.793 1.00 52.01 C ATOM 1009 CZ PHE A 820 3.357 25.448 22.287 1.00 49.36 C ATOM 1010 H PHE A 820 -2.133 23.659 18.739 1.00 0.00 H ATOM 1011 N PHE A 821 0.279 21.666 20.156 1.00 39.57 N ATOM 1012 CA PHE A 821 1.042 20.563 20.740 1.00 42.20 C ATOM 1013 C PHE A 821 1.306 19.484 19.708 1.00 45.42 C ATOM 1014 O PHE A 821 2.383 18.882 19.719 1.00 47.66 O ATOM 1015 CB PHE A 821 0.380 19.909 21.992 1.00 45.11 C ATOM 1016 CG PHE A 821 0.647 20.650 23.258 1.00 44.17 C ATOM 1017 CD1 PHE A 821 1.889 20.603 23.876 1.00 49.85 C ATOM 1018 CD2 PHE A 821 -0.319 21.480 23.793 1.00 43.34 C ATOM 1019 CE1 PHE A 821 2.133 21.352 25.041 1.00 49.69 C ATOM 1020 CE2 PHE A 821 -0.094 22.209 24.951 1.00 42.82 C ATOM 1021 CZ PHE A 821 1.144 22.175 25.561 1.00 44.45 C ATOM 1022 H PHE A 821 -0.683 21.873 20.492 1.00 0.00 H ATOM 1023 N SER A 822 0.348 19.230 18.813 1.00 45.00 N ATOM 1024 CA SER A 822 0.590 18.213 17.799 1.00 54.40 C ATOM 1025 C SER A 822 1.721 18.647 16.828 1.00 53.11 C ATOM 1026 O SER A 822 2.577 17.835 16.494 1.00 58.14 O ATOM 1027 CB SER A 822 -0.700 17.786 17.084 1.00 57.95 C ATOM 1028 OG SER A 822 -1.021 18.714 16.082 1.00 71.39 O ATOM 1029 HG SER A 822 -1.154 19.606 16.490 1.00 0.00 H ATOM 1030 H SER A 822 -0.553 19.748 18.840 1.00 0.00 H ATOM 1031 N LYS A 823 1.802 19.930 16.474 1.00 51.63 N ATOM 1032 CA LYS A 823 2.870 20.410 15.562 1.00 53.57 C ATOM 1033 C LYS A 823 4.233 20.405 16.217 1.00 52.80 C ATOM 1034 O LYS A 823 5.207 20.016 15.607 1.00 52.89 O ATOM 1035 CB LYS A 823 2.578 21.841 15.054 1.00 53.29 C ATOM 1036 CG LYS A 823 1.340 21.928 14.174 1.00 55.49 C ATOM 1037 CD LYS A 823 1.583 21.235 12.834 1.00 64.78 C ATOM 1038 CE LYS A 823 0.379 20.441 12.388 1.00 66.84 C ATOM 1039 NZ LYS A 823 0.619 19.885 11.038 1.00 74.32 N ATOM 1040 HZ1 LYS A 823 0.786 20.663 10.369 1.00 0.00 H ATOM 1041 HZ2 LYS A 823 1.452 19.263 11.064 1.00 0.00 H ATOM 1042 HZ3 LYS A 823 -0.213 19.339 10.736 1.00 0.00 H ATOM 1043 H LYS A 823 1.104 20.607 16.844 1.00 0.00 H ATOM 1044 N ILE A 824 4.324 20.860 17.463 1.00 50.50 N ATOM 1045 CA ILE A 824 5.615 20.816 18.131 1.00 51.37 C ATOM 1046 C ILE A 824 6.091 19.377 18.326 1.00 53.23 C ATOM 1047 O ILE A 824 7.284 19.124 18.256 1.00 53.36 O ATOM 1048 CB ILE A 824 5.679 21.587 19.469 1.00 54.65 C ATOM 1049 CG1 ILE A 824 4.771 20.933 20.524 1.00 57.95 C ATOM 1050 CG2 ILE A 824 5.416 23.082 19.246 1.00 51.80 C ATOM 1051 CD1 ILE A 824 4.661 21.750 21.804 1.00 60.69 C ATOM 1052 H ILE A 824 3.488 21.240 17.951 1.00 0.00 H ATOM 1053 N LYS A 825 5.185 18.434 18.579 1.00 54.45 N ATOM 1054 CA LYS A 825 5.607 17.034 18.676 1.00 61.85 C ATOM 1055 C LYS A 825 6.093 16.558 17.303 1.00 63.05 C ATOM 1056 O LYS A 825 7.131 15.937 17.181 1.00 63.69 O ATOM 1057 CB LYS A 825 4.474 16.084 19.174 1.00 66.07 C ATOM 1058 CG LYS A 825 4.247 16.072 20.690 1.00 71.42 C ATOM 1059 CD LYS A 825 2.796 15.759 21.072 1.00 75.54 C ATOM 1060 CE LYS A 825 2.473 16.162 22.500 1.00 74.51 C ATOM 1061 NZ LYS A 825 1.264 15.463 23.020 1.00 76.08 N ATOM 1062 HZ1 LYS A 825 0.445 15.699 22.423 1.00 0.00 H ATOM 1063 HZ2 LYS A 825 1.424 14.436 23.001 1.00 0.00 H ATOM 1064 HZ3 LYS A 825 1.082 15.769 23.997 1.00 0.00 H ATOM 1065 H LYS A 825 4.185 18.689 18.707 1.00 0.00 H ATOM 1066 N GLU A 826 5.300 16.832 16.284 1.00 63.07 N ATOM 1067 CA GLU A 826 5.609 16.383 14.923 1.00 68.15 C ATOM 1068 C GLU A 826 6.949 16.940 14.437 1.00 65.54 C ATOM 1069 O GLU A 826 7.681 16.240 13.790 1.00 66.06 O ATOM 1070 CB GLU A 826 4.468 16.802 13.994 1.00 71.62 C ATOM 1071 CG GLU A 826 4.680 16.618 12.505 1.00 76.76 C ATOM 1072 CD GLU A 826 3.410 16.928 11.716 1.00 80.70 C ATOM 1073 OE1 GLU A 826 2.839 17.999 11.936 1.00 75.92 O ATOM 1074 OE2 GLU A 826 2.976 16.107 10.877 1.00 92.45 O ATOM 1075 H GLU A 826 4.433 17.381 16.451 1.00 0.00 H ATOM 1076 N ALA A 827 7.276 18.190 14.776 1.00 60.96 N ATOM 1077 CA ALA A 827 8.608 18.758 14.458 1.00 64.38 C ATOM 1078 C ALA A 827 9.743 18.309 15.416 1.00 68.41 C ATOM 1079 O ALA A 827 10.881 18.753 15.264 1.00 70.40 O ATOM 1080 CB ALA A 827 8.548 20.287 14.410 1.00 59.13 C ATOM 1081 H ALA A 827 6.579 18.779 15.275 1.00 0.00 H ATOM 1082 N GLY A 828 9.461 17.430 16.386 1.00 71.89 N ATOM 1083 CA GLY A 828 10.513 16.962 17.323 1.00 75.53 C ATOM 1084 C GLY A 828 11.083 18.073 18.212 1.00 71.99 C ATOM 1085 O GLY A 828 12.191 17.978 18.694 1.00 74.39 O ATOM 1086 H GLY A 828 8.490 17.070 16.484 1.00 0.00 H ATOM 1087 N LEU A 829 10.318 19.130 18.422 1.00 69.38 N ATOM 1088 CA LEU A 829 10.664 20.184 19.389 1.00 73.58 C ATOM 1089 C LEU A 829 10.510 19.738 20.854 1.00 76.43 C ATOM 1090 O LEU A 829 11.123 20.307 21.754 1.00 76.14 O ATOM 1091 CB LEU A 829 9.792 21.436 19.164 1.00 73.41 C ATOM 1092 CG LEU A 829 10.487 22.522 18.350 1.00 73.19 C ATOM 1093 CD1 LEU A 829 10.931 21.977 17.000 1.00 77.11 C ATOM 1094 CD2 LEU A 829 9.577 23.729 18.206 1.00 70.41 C ATOM 1095 H LEU A 829 9.434 19.221 17.881 1.00 0.00 H ATOM 1096 N ILE A 830 9.634 18.765 21.083 1.00 80.82 N ATOM 1097 CA ILE A 830 9.638 17.977 22.323 1.00 85.75 C ATOM 1098 C ILE A 830 9.559 16.498 21.909 1.00 89.69 C ATOM 1099 O ILE A 830 8.846 16.164 20.958 1.00 93.17 O ATOM 1100 CB ILE A 830 8.496 18.400 23.293 1.00 79.94 C ATOM 1101 CG1 ILE A 830 7.114 18.179 22.658 1.00 75.32 C ATOM 1102 CG2 ILE A 830 8.665 19.869 23.712 1.00 78.61 C ATOM 1103 CD1 ILE A 830 5.959 18.739 23.455 1.00 71.09 C ATOM 1104 H ILE A 830 8.919 18.554 20.358 1.00 0.00 H ATOM 1105 N ASP A 831 10.331 15.636 22.570 1.00 93.88 N ATOM 1106 CA ASP A 831 10.340 14.203 22.252 1.00 99.35 C ATOM 1107 C ASP A 831 10.596 13.398 23.503 1.00101.20 C ATOM 1108 O ASP A 831 11.414 13.797 24.320 1.00104.31 O ATOM 1109 CB ASP A 831 11.419 13.888 21.202 1.00102.99 C ATOM 1110 H ASP A 831 10.944 15.988 23.332 1.00 0.00 H TER 1111 ASP A 831 HETATM 1112 O HOH 1 -12.705 27.182 15.979 1.00 58.61 O HETATM 1113 O HOH 2 -17.657 24.999 31.655 1.00 54.13 O HETATM 1114 O HOH 3 -11.635 47.540 28.839 1.00 80.00 O HETATM 1115 O HOH 4 -11.137 25.207 14.307 1.00 59.00 O HETATM 1116 O HOH 5 3.957 39.424 27.145 1.00 51.29 O HETATM 1117 O HOH 6 -0.944 43.992 31.534 1.00 64.49 O HETATM 1118 O HOH 7 -6.123 36.500 26.187 1.00 39.91 O HETATM 1119 O HOH 8 17.315 31.103 14.781 1.00 62.65 O HETATM 1120 O HOH 9 -2.966 32.502 33.157 1.00 60.59 O HETATM 1121 O HOH 10 -0.758 33.054 31.035 1.00 50.01 O HETATM 1122 O HOH 11 -11.667 31.223 32.629 1.00 47.15 O HETATM 1123 O HOH 12 3.687 43.639 12.794 1.00 49.54 O HETATM 1124 O HOH 13 -2.707 35.888 35.746 1.00 54.68 O HETATM 1125 O HOH 14 -7.804 41.903 19.479 1.00 46.70 O HETATM 1126 O HOH 15 -4.892 45.190 18.934 1.00 56.54 O HETATM 1127 O HOH 16 7.624 36.494 11.103 1.00 44.18 O HETATM 1128 O HOH 17 14.400 23.601 9.788 1.00 70.35 O HETATM 1129 O HOH 18 -5.437 48.211 23.550 1.00 62.33 O HETATM 1130 O HOH 19 -7.241 21.165 17.372 1.00 40.57 O HETATM 1131 O HOH 20 -15.803 30.013 16.699 1.00 51.19 O HETATM 1132 O HOH 21 -0.508 40.773 22.978 1.00 44.46 O HETATM 1133 O HOH 22 -2.740 48.247 32.790 1.00 72.29 O HETATM 1134 O HOH 23 16.489 36.355 22.251 1.00 56.76 O HETATM 1135 O HOH 24 8.980 27.041 26.957 1.00 57.26 O HETATM 1136 O HOH 25 14.593 31.790 15.388 1.00 47.34 O HETATM 1137 O HOH 26 -5.956 21.931 24.447 1.00 35.86 O HETATM 1138 O HOH 27 -3.328 25.582 9.616 1.00 53.91 O HETATM 1139 O HOH 28 -12.176 23.872 22.686 1.00 41.28 O HETATM 1140 O HOH 29 -18.802 29.743 30.216 1.00 54.63 O HETATM 1141 O HOH 30 12.420 34.977 6.673 1.00 65.16 O HETATM 1142 O HOH 31 -2.665 37.749 25.603 1.00 42.68 O HETATM 1143 O HOH 32 -4.334 35.600 24.392 1.00 36.00 O HETATM 1144 O HOH 33 -7.424 21.441 14.677 1.00 46.64 O HETATM 1145 O HOH 34 19.321 36.293 17.306 1.00 46.42 O HETATM 1146 O HOH 35 -14.722 25.261 26.174 1.00 53.37 O HETATM 1147 O HOH 36 0.311 36.715 31.327 1.00 47.70 O HETATM 1148 O HOH 37 -3.864 36.890 22.019 1.00 35.33 O HETATM 1149 O HOH 38 3.954 30.234 28.757 1.00 50.42 O HETATM 1150 O HOH 39 -5.765 38.480 20.952 1.00 38.28 O HETATM 1151 O HOH 40 -7.333 39.453 17.584 1.00 55.25 O HETATM 1152 O HOH 41 3.786 40.967 12.830 1.00 55.44 O HETATM 1153 O HOH 42 -13.872 29.826 15.168 1.00 46.42 O HETATM 1154 O HOH 43 16.218 25.531 20.561 1.00 59.44 O HETATM 1155 O HOH 44 1.882 15.106 16.597 1.00 56.57 O HETATM 1156 O HOH 45 1.722 30.348 30.047 1.00 48.91 O HETATM 1157 O HOH 46 -8.791 31.902 12.235 1.00 45.43 O HETATM 1158 O HOH 47 -16.551 36.726 19.552 1.00 62.30 O HETATM 1159 O HOH 48 -7.477 46.329 30.275 1.00 63.42 O HETATM 1160 O HOH 49 -8.040 25.036 10.519 1.00 46.27 O HETATM 1161 O HOH 50 -10.713 20.023 20.442 1.00 48.50 O HETATM 1162 O HOH 51 4.220 25.102 26.288 1.00 63.36 O HETATM 1163 O HOH 52 -9.288 33.057 36.228 1.00 52.03 O HETATM 1164 O HOH 53 13.502 34.218 15.645 1.00 42.05 O HETATM 1165 O HOH 54 7.372 42.080 21.528 1.00 46.41 O HETATM 1166 O HOH 55 -0.581 16.251 20.843 1.00 60.35 O HETATM 1167 O HOH 56 -2.820 40.464 23.686 1.00 47.23 O HETATM 1168 O HOH 57 2.117 12.604 23.101 1.00 61.43 O HETATM 1169 O HOH 58 -20.870 24.817 25.631 1.00 64.16 O HETATM 1170 O HOH 59 -18.780 33.535 23.591 1.00 55.66 O HETATM 1171 O HOH 60 -12.556 24.133 25.430 1.00 43.67 O HETATM 1172 O HOH 61 7.852 37.808 26.878 1.00 67.91 O HETATM 1173 O HOH 62 -15.772 34.765 23.475 1.00 46.40 O HETATM 1174 O HOH 63 -12.433 33.185 34.251 1.00 61.93 O HETATM 1175 O HOH 64 3.035 42.115 24.170 1.00 65.78 O HETATM 1176 O HOH 65 6.239 40.605 11.710 1.00 51.55 O HETATM 1177 O HOH 66 -4.155 47.209 21.893 1.00 66.84 O HETATM 1178 O HOH 67 -11.452 19.748 23.905 1.00 58.67 O HETATM 1179 O HOH 68 -2.914 40.172 12.126 1.00 52.93 O HETATM 1180 O HOH 69 3.647 38.092 9.404 1.00 52.99 O HETATM 1181 O HOH 70 -1.536 34.066 8.349 1.00 68.84 O HETATM 1182 O HOH 71 10.031 45.546 14.718 1.00 61.17 O HETATM 1183 O HOH 72 2.847 34.308 31.763 1.00 57.01 O HETATM 1184 O HOH 73 -4.940 19.083 16.513 1.00 67.13 O HETATM 1185 O HOH 74 -0.489 36.450 33.878 1.00 48.77 O HETATM 1186 O HOH 75 10.934 14.841 14.163 1.00 72.17 O HETATM 1187 O HOH 76 -10.522 21.525 22.298 1.00 49.83 O HETATM 1188 O HOH 77 3.736 26.332 6.730 1.00 73.33 O HETATM 1189 O HOH 78 -19.511 21.891 29.065 1.00 70.22 O HETATM 1190 O HOH 79 2.288 39.523 10.960 1.00 59.71 O HETATM 1191 O HOH 80 -10.315 37.221 34.824 1.00 62.97 O HETATM 1192 O HOH 81 6.557 38.750 9.853 1.00 47.60 O HETATM 1193 O HOH 82 6.528 28.661 6.417 1.00 58.77 O HETATM 1194 O HOH 83 11.386 40.583 26.145 1.00 71.56 O HETATM 1195 O HOH 84 0.940 44.668 29.927 1.00 68.99 O HETATM 1196 O HOH 85 -9.217 43.379 14.256 1.00 62.07 O HETATM 1197 O HOH 86 -19.893 26.356 32.404 1.00 68.85 O HETATM 1198 O HOH 87 -10.671 30.437 8.723 1.00 62.20 O HETATM 1199 O HOH 88 -5.475 24.113 9.806 1.00 64.70 O HETATM 1200 O HOH 89 -9.648 19.919 18.090 1.00 50.37 O HETATM 1201 O HOH 90 -14.463 23.145 21.244 1.00 61.98 O HETATM 1202 O HOH 91 -0.052 14.771 18.722 1.00 67.16 O HETATM 1203 C4 UNN A 92 -10.041 39.125 22.775 1.00 0.09 C HETATM 1204 C5 UNN A 92 -9.806 38.756 24.081 1.00 0.05 C HETATM 1205 C6 UNN A 92 -8.988 37.617 24.449 1.00 0.10 C HETATM 1206 C7 UNN A 92 -8.320 36.865 23.326 1.00 0.02 C HETATM 1207 C8 UNN A 92 -9.058 36.969 21.981 1.00 -0.02 C HETATM 1208 C9 UNN A 92 -9.431 38.422 21.605 1.00 0.02 C HETATM 1209 H5 UNN A 92 -8.524 38.959 21.293 1.00 0.05 H HETATM 1210 H6 UNN A 92 -10.153 38.407 20.775 1.00 0.05 H HETATM 1211 H3 UNN A 92 -9.982 36.375 22.042 1.00 0.03 H HETATM 1212 H4 UNN A 92 -8.409 36.559 21.193 1.00 0.03 H HETATM 1213 H1 UNN A 92 -8.261 35.803 23.607 1.00 0.05 H HETATM 1214 H2 UNN A 92 -7.304 37.267 23.196 1.00 0.05 H HETATM 1215 O1 UNN A 92 -8.809 37.306 25.632 1.00 -0.40 O HETATM 1216 C1 UNN A 92 -10.536 39.692 24.863 1.00 0.01 C HETATM 1217 C UNN A 92 -10.586 39.853 26.344 1.00 -0.03 C HETATM 1218 H7 UNN A 92 -11.259 40.684 26.600 1.00 0.04 H HETATM 1219 H8 UNN A 92 -9.576 40.069 26.724 1.00 0.04 H HETATM 1220 H9 UNN A 92 -10.960 38.925 26.801 1.00 0.04 H HETATM 1221 N UNN A 92 -11.195 40.537 24.106 1.00 -0.23 N HETATM 1222 N1 UNN A 92 -10.876 40.201 22.835 1.00 -0.20 N HETATM 1223 C2 UNN A 92 -11.362 41.061 21.755 1.00 0.09 C HETATM 1224 C3 UNN A 92 -10.708 42.437 21.766 1.00 0.07 C HETATM 1225 O UNN A 92 -9.297 42.372 21.491 1.00 -0.39 O HETATM 1226 H14 UNN A 92 -9.160 41.987 20.633 1.00 0.21 H HETATM 1227 H12 UNN A 92 -10.855 42.891 22.757 1.00 0.06 H HETATM 1228 H13 UNN A 92 -11.189 43.064 21.001 1.00 0.06 H HETATM 1229 H10 UNN A 92 -12.449 41.186 21.866 1.00 0.07 H HETATM 1230 H11 UNN A 92 -11.145 40.575 20.792 1.00 0.07 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1203 1204 1208 1222 CONECT 1204 1203 1205 1216 CONECT 1205 1204 1206 1215 CONECT 1206 1205 1207 1213 1214 CONECT 1207 1206 1208 1211 1212 CONECT 1208 1203 1207 1209 1210 CONECT 1209 1208 CONECT 1210 1208 CONECT 1211 1207 CONECT 1212 1207 CONECT 1213 1206 CONECT 1214 1206 CONECT 1215 1205 CONECT 1216 1204 1217 1221 CONECT 1217 1216 1218 1219 1220 CONECT 1218 1217 CONECT 1219 1217 CONECT 1220 1217 CONECT 1221 1216 1222 CONECT 1222 1203 1221 1223 CONECT 1223 1222 1224 1229 1230 CONECT 1224 1223 1225 1227 1228 CONECT 1225 1224 1226 CONECT 1226 1225 CONECT 1227 1224 CONECT 1228 1224 CONECT 1229 1223 CONECT 1230 1223 MASTER 0 0 0 0 0 0 0 0 1229 1 32 9 END
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Related entries of code: 5fe7
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
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PDBbind
118aa, >1WUG_1|Chain... at 96%
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118aa, >1WUM_1|Chain... at 96%
5fdz
RCSB PDB
PDBbind
119aa, >5FDZ_1|Chains... at 100%
5fe6
RCSB PDB
PDBbind
119aa, >5FE6_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%
5ml0
RCSB PDB
PDBbind
110aa, >5ML0_1|Chain... at 91%
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RCSB PDB
PDBbind
140aa, >6J3O_1|Chains... *
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
5fe7
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
human PCAF bromodomain
Ligand Name
5WU
EC.Number
E.C.2.3.1.48
Resolution
2.08(Å)
Affinity (Kd/Ki/IC50)
Kd=488uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J.Med.Chem. Vol. 59: pp. 1648-1653
Ligand Properties
Formula
C
1
0
H
1
4
N
2
O
2
Molecular Weight
194.230
Exact Mass
194.106
No. of atoms
28
No. of bonds
29
Polar Surface Area
55.12
LOGP Value
0.02 (
Computed with XLOGP3
)
0.70 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 2
Canonical SMILES
OCCn1nc(c2c1CCCC2=O)C
InChI String
InChI=1S/C10H14N2O2/c1-7-10-8(3-2-4-9(10)14)12(11-7)5-6-13/h13H,2-6H2,1H3
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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