Browse entries in the PDBbind-CN Database
HEADER 5LVQ_COMPLEX COMPND 5LVQ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 108 ASP PRO ASP GLN LEU TYR SER THR LEU LYS SER ILE LEU SEQRES 2 A 108 GLN GLN VAL LYS SER HIS GLN SER ALA TRP PRO PHE MET SEQRES 3 A 108 GLU PRO VAL LYS ARG THR GLU ALA PRO GLY TYR TYR GLU SEQRES 4 A 108 VAL ILE ARG PHE PRO MET ASP LEU LYS THR MET SER GLU SEQRES 5 A 108 ARG LEU LYS ASN ARG TYR TYR VAL SER LYS LYS LEU PHE SEQRES 6 A 108 MET ALA ASP LEU GLN ARG VAL PHE THR ASN CYS LYS GLU SEQRES 7 A 108 TYR ASN PRO PRO GLU SER GLU TYR TYR LYS CYS ALA ASN SEQRES 8 A 108 ILE LEU GLU LYS PHE PHE PHE SER LYS ILE LYS GLU ALA SEQRES 9 A 108 GLY LEU ILE ASP HET UNN A 170 34 ATOM 1 N ASP A 724 18.562 34.919 40.470 1.00136.69 N ATOM 2 CA ASP A 724 18.735 35.755 41.699 1.00142.69 C ATOM 3 C ASP A 724 17.652 35.453 42.757 1.00145.82 C ATOM 4 O ASP A 724 17.980 35.356 43.941 1.00152.50 O ATOM 5 CB ASP A 724 18.774 37.256 41.351 1.00139.28 C ATOM 6 HN3 ASP A 724 17.631 35.113 40.049 1.00 0.00 H ATOM 7 HN2 ASP A 724 18.626 33.913 40.725 1.00 0.00 H ATOM 8 HN1 ASP A 724 19.309 35.153 39.785 1.00 0.00 H ATOM 9 N PRO A 725 16.362 35.312 42.350 1.00142.76 N ATOM 10 CA PRO A 725 15.371 34.823 43.331 1.00132.54 C ATOM 11 C PRO A 725 15.584 33.369 43.764 1.00122.21 C ATOM 12 O PRO A 725 15.685 33.069 44.960 1.00124.77 O ATOM 13 CB PRO A 725 14.033 34.943 42.579 1.00132.11 C ATOM 14 CG PRO A 725 14.258 36.002 41.561 1.00136.09 C ATOM 15 CD PRO A 725 15.698 35.855 41.145 1.00141.66 C ATOM 16 N ASP A 726 15.698 32.484 42.782 1.00107.20 N ATOM 17 CA ASP A 726 15.598 31.064 43.010 1.00 91.45 C ATOM 18 C ASP A 726 16.981 30.449 43.161 1.00 87.10 C ATOM 19 O ASP A 726 17.235 29.287 42.789 1.00 80.09 O ATOM 20 CB ASP A 726 14.858 30.463 41.842 1.00 89.87 C ATOM 21 CG ASP A 726 13.859 29.447 42.264 1.00 89.57 C ATOM 22 OD1 ASP A 726 13.644 29.203 43.466 1.00 95.38 O ATOM 23 OD2 ASP A 726 13.257 28.895 41.363 1.00 87.96 O ATOM 24 H ASP A 726 15.865 32.827 41.814 1.00 0.00 H ATOM 25 N GLN A 727 17.875 31.239 43.737 1.00 85.07 N ATOM 26 CA GLN A 727 19.289 30.887 43.782 1.00 83.50 C ATOM 27 C GLN A 727 19.599 29.696 44.689 1.00 75.01 C ATOM 28 O GLN A 727 20.355 28.784 44.326 1.00 71.68 O ATOM 29 CB GLN A 727 20.107 32.100 44.240 1.00 88.80 C ATOM 30 CG GLN A 727 21.612 31.861 44.302 1.00 92.49 C ATOM 31 CD GLN A 727 22.128 31.161 43.047 1.00101.38 C ATOM 32 OE1 GLN A 727 21.628 31.400 41.950 1.00105.54 O ATOM 33 NE2 GLN A 727 23.107 30.282 43.206 1.00107.12 N ATOM 34 HE22 GLN A 727 23.502 30.109 44.152 1.00 0.00 H ATOM 35 HE21 GLN A 727 23.480 29.765 42.384 1.00 0.00 H ATOM 36 H GLN A 727 17.560 32.132 44.168 1.00 0.00 H ATOM 37 N LEU A 728 19.041 29.752 45.885 1.00 67.70 N ATOM 38 CA LEU A 728 19.217 28.700 46.862 1.00 69.01 C ATOM 39 C LEU A 728 18.778 27.330 46.297 1.00 63.73 C ATOM 40 O LEU A 728 19.539 26.369 46.296 1.00 60.30 O ATOM 41 CB LEU A 728 18.392 29.048 48.104 1.00 69.25 C ATOM 42 CG LEU A 728 18.463 28.143 49.325 1.00 66.26 C ATOM 43 CD1 LEU A 728 19.911 27.998 49.771 1.00 69.50 C ATOM 44 CD2 LEU A 728 17.583 28.658 50.462 1.00 68.15 C ATOM 45 H LEU A 728 18.458 30.577 46.131 1.00 0.00 H ATOM 46 N TYR A 729 17.554 27.289 45.789 1.00 62.74 N ATOM 47 CA TYR A 729 17.012 26.105 45.167 1.00 59.27 C ATOM 48 C TYR A 729 18.007 25.515 44.208 1.00 60.98 C ATOM 49 O TYR A 729 18.299 24.328 44.282 1.00 54.18 O ATOM 50 CB TYR A 729 15.716 26.431 44.401 1.00 63.38 C ATOM 51 CG TYR A 729 15.026 25.213 43.798 1.00 65.55 C ATOM 52 CD1 TYR A 729 14.261 24.349 44.592 1.00 66.88 C ATOM 53 CD2 TYR A 729 15.166 24.901 42.457 1.00 69.29 C ATOM 54 CE1 TYR A 729 13.633 23.230 44.062 1.00 66.74 C ATOM 55 CE2 TYR A 729 14.546 23.770 41.927 1.00 78.03 C ATOM 56 CZ TYR A 729 13.766 22.956 42.744 1.00 72.62 C ATOM 57 OH TYR A 729 13.152 21.846 42.249 1.00 77.74 O ATOM 58 HH TYR A 729 12.530 22.109 41.525 1.00 0.00 H ATOM 59 H TYR A 729 16.962 28.143 45.841 1.00 0.00 H ATOM 60 N SER A 730 18.517 26.335 43.294 1.00 63.48 N ATOM 61 CA SER A 730 19.482 25.859 42.296 1.00 66.47 C ATOM 62 C SER A 730 20.738 25.291 42.922 1.00 59.18 C ATOM 63 O SER A 730 21.286 24.287 42.459 1.00 57.30 O ATOM 64 CB SER A 730 19.903 27.004 41.385 1.00 69.63 C ATOM 65 OG SER A 730 18.771 27.783 41.094 1.00 80.95 O ATOM 66 HG SER A 730 18.394 28.142 41.936 1.00 0.00 H ATOM 67 H SER A 730 18.226 27.334 43.286 1.00 0.00 H ATOM 68 N THR A 731 21.243 25.970 43.937 1.00 61.19 N ATOM 69 CA THR A 731 22.505 25.537 44.546 1.00 61.62 C ATOM 70 C THR A 731 22.307 24.217 45.271 1.00 57.45 C ATOM 71 O THR A 731 23.131 23.277 45.165 1.00 55.83 O ATOM 72 CB THR A 731 23.007 26.580 45.541 1.00 65.44 C ATOM 73 OG1 THR A 731 23.215 27.813 44.859 1.00 69.41 O ATOM 74 CG2 THR A 731 24.306 26.148 46.145 1.00 65.54 C ATOM 75 HG1 THR A 731 22.361 28.116 44.460 1.00 0.00 H ATOM 76 H THR A 731 20.747 26.808 44.303 1.00 0.00 H ATOM 77 N LEU A 732 21.203 24.156 46.001 1.00 56.53 N ATOM 78 CA LEU A 732 20.845 22.966 46.762 1.00 58.01 C ATOM 79 C LEU A 732 20.612 21.760 45.854 1.00 56.52 C ATOM 80 O LEU A 732 21.093 20.667 46.119 1.00 53.60 O ATOM 81 CB LEU A 732 19.609 23.233 47.600 1.00 54.44 C ATOM 82 CG LEU A 732 19.812 24.247 48.716 1.00 60.85 C ATOM 83 CD1 LEU A 732 18.625 24.249 49.671 1.00 60.27 C ATOM 84 CD2 LEU A 732 21.073 23.962 49.516 1.00 60.85 C ATOM 85 H LEU A 732 20.573 24.983 46.032 1.00 0.00 H ATOM 86 N LYS A 733 19.902 21.976 44.762 1.00 54.26 N ATOM 87 CA LYS A 733 19.675 20.937 43.798 1.00 53.62 C ATOM 88 C LYS A 733 20.961 20.411 43.200 1.00 55.59 C ATOM 89 O LYS A 733 21.144 19.175 43.021 1.00 55.04 O ATOM 90 CB LYS A 733 18.759 21.480 42.693 1.00 58.90 C ATOM 91 CG LYS A 733 18.414 20.444 41.670 1.00 66.94 C ATOM 92 CD LYS A 733 17.254 20.875 40.783 1.00 76.39 C ATOM 93 CE LYS A 733 17.466 20.282 39.399 1.00 87.58 C ATOM 94 NZ LYS A 733 16.177 19.972 38.743 1.00 98.72 N ATOM 95 HZ1 LYS A 733 15.652 19.285 39.321 1.00 0.00 H ATOM 96 HZ2 LYS A 733 15.619 20.845 38.647 1.00 0.00 H ATOM 97 HZ3 LYS A 733 16.357 19.569 37.801 1.00 0.00 H ATOM 98 H LYS A 733 19.498 22.920 44.597 1.00 0.00 H ATOM 99 N SER A 734 21.858 21.321 42.844 1.00 55.72 N ATOM 100 CA SER A 734 23.169 20.888 42.330 1.00 57.75 C ATOM 101 C SER A 734 23.932 20.059 43.367 1.00 51.21 C ATOM 102 O SER A 734 24.548 19.017 43.072 1.00 55.34 O ATOM 103 CB SER A 734 23.995 22.105 41.955 1.00 61.32 C ATOM 104 OG SER A 734 25.335 21.712 41.713 1.00 68.35 O ATOM 105 HG SER A 734 25.872 22.507 41.469 1.00 0.00 H ATOM 106 H SER A 734 21.637 22.334 42.927 1.00 0.00 H ATOM 107 N ILE A 735 23.939 20.523 44.591 1.00 52.03 N ATOM 108 CA ILE A 735 24.664 19.800 45.642 1.00 51.38 C ATOM 109 C ILE A 735 24.040 18.407 45.872 1.00 49.56 C ATOM 110 O ILE A 735 24.743 17.426 45.892 1.00 48.28 O ATOM 111 CB ILE A 735 24.715 20.603 46.963 1.00 54.23 C ATOM 112 CG1 ILE A 735 25.591 21.853 46.765 1.00 60.67 C ATOM 113 CG2 ILE A 735 25.301 19.759 48.135 1.00 49.20 C ATOM 114 CD1 ILE A 735 25.587 22.791 47.961 1.00 63.25 C ATOM 115 H ILE A 735 23.432 21.402 44.818 1.00 0.00 H ATOM 116 N LEU A 736 22.721 18.345 46.023 1.00 47.87 N ATOM 117 CA LEU A 736 22.036 17.064 46.285 1.00 46.28 C ATOM 118 C LEU A 736 22.258 16.108 45.134 1.00 45.01 C ATOM 119 O LEU A 736 22.492 14.896 45.339 1.00 44.41 O ATOM 120 CB LEU A 736 20.568 17.293 46.564 1.00 45.16 C ATOM 121 CG LEU A 736 19.762 16.078 46.995 1.00 48.40 C ATOM 122 CD1 LEU A 736 20.410 15.417 48.218 1.00 44.55 C ATOM 123 CD2 LEU A 736 18.307 16.487 47.292 1.00 48.19 C ATOM 124 H LEU A 736 22.159 19.218 45.955 1.00 0.00 H ATOM 125 N GLN A 737 22.299 16.623 43.919 1.00 46.81 N ATOM 126 CA GLN A 737 22.555 15.728 42.764 1.00 51.79 C ATOM 127 C GLN A 737 23.941 15.152 42.746 1.00 53.17 C ATOM 128 O GLN A 737 24.156 13.962 42.484 1.00 51.31 O ATOM 129 CB GLN A 737 22.301 16.465 41.434 1.00 58.23 C ATOM 130 CG GLN A 737 22.378 15.521 40.249 1.00 64.79 C ATOM 131 CD GLN A 737 21.385 14.363 40.488 1.00 82.63 C ATOM 132 OE1 GLN A 737 20.162 14.592 40.562 1.00 91.84 O ATOM 133 NE2 GLN A 737 21.913 13.135 40.748 1.00 84.90 N ATOM 134 HE22 GLN A 737 22.939 12.984 40.675 1.00 0.00 H ATOM 135 HE21 GLN A 737 21.290 12.348 41.019 1.00 0.00 H ATOM 136 H GLN A 737 22.154 17.642 43.774 1.00 0.00 H ATOM 137 N GLN A 738 24.907 15.984 43.071 1.00 53.70 N ATOM 138 CA GLN A 738 26.279 15.487 43.173 1.00 50.08 C ATOM 139 C GLN A 738 26.432 14.455 44.264 1.00 44.87 C ATOM 140 O GLN A 738 27.095 13.432 44.098 1.00 43.43 O ATOM 141 CB GLN A 738 27.244 16.658 43.371 1.00 52.09 C ATOM 142 CG GLN A 738 27.297 17.531 42.113 1.00 54.53 C ATOM 143 CD GLN A 738 28.259 18.679 42.319 1.00 60.32 C ATOM 144 OE1 GLN A 738 29.469 18.480 42.312 1.00 63.55 O ATOM 145 NE2 GLN A 738 27.734 19.869 42.517 1.00 63.13 N ATOM 146 HE22 GLN A 738 26.701 19.989 42.514 1.00 0.00 H ATOM 147 HE21 GLN A 738 28.352 20.690 42.676 1.00 0.00 H ATOM 148 H GLN A 738 24.697 16.986 43.254 1.00 0.00 H ATOM 149 N VAL A 739 25.850 14.710 45.402 1.00 43.94 N ATOM 150 CA VAL A 739 25.878 13.727 46.490 1.00 43.79 C ATOM 151 C VAL A 739 25.228 12.397 46.061 1.00 44.37 C ATOM 152 O VAL A 739 25.812 11.311 46.251 1.00 40.05 O ATOM 153 CB VAL A 739 25.200 14.329 47.758 1.00 44.73 C ATOM 154 CG1 VAL A 739 25.035 13.297 48.861 1.00 47.61 C ATOM 155 CG2 VAL A 739 26.032 15.480 48.295 1.00 45.87 C ATOM 156 H VAL A 739 25.362 15.618 45.540 1.00 0.00 H ATOM 157 N LYS A 740 24.038 12.489 45.434 1.00 46.93 N ATOM 158 CA LYS A 740 23.333 11.297 44.922 1.00 47.50 C ATOM 159 C LYS A 740 24.064 10.545 43.874 1.00 47.98 C ATOM 160 O LYS A 740 23.936 9.314 43.857 1.00 51.11 O ATOM 161 CB LYS A 740 21.901 11.583 44.471 1.00 47.89 C ATOM 162 CG LYS A 740 21.043 11.967 45.666 1.00 51.66 C ATOM 163 CD LYS A 740 19.672 12.491 45.268 1.00 55.68 C ATOM 164 CE LYS A 740 18.878 11.492 44.481 1.00 64.31 C ATOM 165 NZ LYS A 740 17.456 11.941 44.347 1.00 65.87 N ATOM 166 HZ1 LYS A 740 17.034 12.039 45.293 1.00 0.00 H ATOM 167 HZ2 LYS A 740 17.428 12.858 43.857 1.00 0.00 H ATOM 168 HZ3 LYS A 740 16.922 11.237 43.799 1.00 0.00 H ATOM 169 H LYS A 740 23.604 13.426 45.307 1.00 0.00 H ATOM 170 N SER A 741 24.884 11.206 43.055 1.00 49.77 N ATOM 171 CA SER A 741 25.702 10.488 42.069 1.00 51.71 C ATOM 172 C SER A 741 27.008 9.935 42.575 1.00 50.93 C ATOM 173 O SER A 741 27.709 9.237 41.843 1.00 47.46 O ATOM 174 CB SER A 741 26.064 11.415 40.908 1.00 56.33 C ATOM 175 OG SER A 741 24.887 12.006 40.437 1.00 61.27 O ATOM 176 HG SER A 741 24.464 12.524 41.167 1.00 0.00 H ATOM 177 H SER A 741 24.945 12.242 43.116 1.00 0.00 H ATOM 178 N HIS A 742 27.376 10.275 43.799 1.00 48.72 N ATOM 179 CA HIS A 742 28.625 9.848 44.331 1.00 47.46 C ATOM 180 C HIS A 742 28.598 8.346 44.542 1.00 51.49 C ATOM 181 O HIS A 742 27.611 7.779 44.960 1.00 48.28 O ATOM 182 CB HIS A 742 28.876 10.574 45.670 1.00 49.00 C ATOM 183 CG HIS A 742 30.280 10.459 46.163 1.00 52.50 C ATOM 184 ND1 HIS A 742 30.739 9.340 46.817 1.00 55.12 N ATOM 185 CD2 HIS A 742 31.308 11.350 46.176 1.00 52.19 C ATOM 186 CE1 HIS A 742 32.009 9.505 47.148 1.00 51.57 C ATOM 187 NE2 HIS A 742 32.381 10.716 46.757 1.00 50.89 N ATOM 188 H HIS A 742 26.744 10.862 44.380 1.00 0.00 H ATOM 189 N GLN A 743 29.703 7.682 44.311 1.00 51.39 N ATOM 190 CA GLN A 743 29.729 6.247 44.420 1.00 53.29 C ATOM 191 C GLN A 743 29.538 5.696 45.838 1.00 55.50 C ATOM 192 O GLN A 743 29.297 4.503 45.982 1.00 56.09 O ATOM 193 CB GLN A 743 31.007 5.706 43.795 1.00 61.19 C ATOM 194 CG GLN A 743 32.253 5.893 44.606 1.00 67.39 C ATOM 195 CD GLN A 743 33.483 5.425 43.835 1.00 77.82 C ATOM 196 OE1 GLN A 743 33.575 5.603 42.622 1.00 87.88 O ATOM 197 NE2 GLN A 743 34.427 4.812 44.536 1.00 83.43 N ATOM 198 HE22 GLN A 743 34.311 4.681 45.561 1.00 0.00 H ATOM 199 HE21 GLN A 743 35.283 4.462 44.061 1.00 0.00 H ATOM 200 H GLN A 743 30.568 8.195 44.047 1.00 0.00 H ATOM 201 N SER A 744 29.675 6.520 46.879 1.00 46.38 N ATOM 202 CA SER A 744 29.413 6.107 48.231 1.00 46.56 C ATOM 203 C SER A 744 27.992 6.512 48.721 1.00 44.23 C ATOM 204 O SER A 744 27.670 6.300 49.856 1.00 41.05 O ATOM 205 CB SER A 744 30.463 6.721 49.217 1.00 51.37 C ATOM 206 OG SER A 744 31.742 6.224 48.951 1.00 57.43 O ATOM 207 HG SER A 744 31.999 6.457 48.024 1.00 0.00 H ATOM 208 H SER A 744 29.983 7.498 46.706 1.00 0.00 H ATOM 209 N ALA A 745 27.126 7.029 47.851 1.00 45.48 N ATOM 210 CA ALA A 745 25.765 7.349 48.252 1.00 44.60 C ATOM 211 C ALA A 745 24.795 6.151 48.353 1.00 41.73 C ATOM 212 O ALA A 745 23.734 6.283 48.923 1.00 39.95 O ATOM 213 CB ALA A 745 25.201 8.347 47.294 1.00 44.04 C ATOM 214 H ALA A 745 27.427 7.206 46.871 1.00 0.00 H ATOM 215 N TRP A 746 25.168 4.999 47.833 1.00 43.60 N ATOM 216 CA TRP A 746 24.169 3.880 47.649 1.00 47.21 C ATOM 217 C TRP A 746 23.460 3.415 48.937 1.00 48.19 C ATOM 218 O TRP A 746 22.283 3.094 48.877 1.00 50.41 O ATOM 219 CB TRP A 746 24.782 2.689 46.956 1.00 47.79 C ATOM 220 CG TRP A 746 25.957 2.112 47.627 1.00 47.52 C ATOM 221 CD1 TRP A 746 27.244 2.455 47.426 1.00 46.54 C ATOM 222 CD2 TRP A 746 25.968 1.074 48.610 1.00 51.57 C ATOM 223 NE1 TRP A 746 28.060 1.692 48.203 1.00 50.89 N ATOM 224 CE2 TRP A 746 27.302 0.833 48.945 1.00 52.78 C ATOM 225 CE3 TRP A 746 24.975 0.336 49.248 1.00 53.24 C ATOM 226 CZ2 TRP A 746 27.682 -0.142 49.880 1.00 55.12 C ATOM 227 CZ3 TRP A 746 25.341 -0.625 50.166 1.00 53.75 C ATOM 228 CH2 TRP A 746 26.677 -0.873 50.464 1.00 58.91 C ATOM 229 HE1 TRP A 746 29.098 1.754 48.228 1.00 0.00 H ATOM 230 H TRP A 746 26.158 4.859 47.547 1.00 0.00 H ATOM 231 N PRO A 747 24.129 3.465 50.106 1.00 46.28 N ATOM 232 CA PRO A 747 23.399 3.082 51.297 1.00 46.58 C ATOM 233 C PRO A 747 22.293 4.047 51.711 1.00 44.47 C ATOM 234 O PRO A 747 21.457 3.714 52.577 1.00 45.87 O ATOM 235 CB PRO A 747 24.484 3.098 52.393 1.00 46.33 C ATOM 236 CG PRO A 747 25.758 2.986 51.655 1.00 45.54 C ATOM 237 CD PRO A 747 25.530 3.787 50.434 1.00 46.47 C ATOM 238 N PHE A 748 22.307 5.259 51.151 1.00 42.24 N ATOM 239 CA PHE A 748 21.475 6.337 51.674 1.00 39.71 C ATOM 240 C PHE A 748 20.335 6.764 50.734 1.00 38.42 C ATOM 241 O PHE A 748 19.685 7.775 50.950 1.00 43.74 O ATOM 242 CB PHE A 748 22.390 7.549 52.003 1.00 43.75 C ATOM 243 CG PHE A 748 23.619 7.174 52.793 1.00 40.49 C ATOM 244 CD1 PHE A 748 23.509 6.752 54.083 1.00 46.10 C ATOM 245 CD2 PHE A 748 24.873 7.178 52.213 1.00 45.78 C ATOM 246 CE1 PHE A 748 24.621 6.380 54.817 1.00 43.41 C ATOM 247 CE2 PHE A 748 26.015 6.853 52.947 1.00 45.93 C ATOM 248 CZ PHE A 748 25.889 6.407 54.232 1.00 42.00 C ATOM 249 H PHE A 748 22.920 5.437 50.330 1.00 0.00 H ATOM 250 N MET A 749 20.170 6.038 49.666 1.00 40.47 N ATOM 251 CA MET A 749 19.332 6.489 48.576 1.00 47.18 C ATOM 252 C MET A 749 17.882 6.359 48.944 1.00 51.71 C ATOM 253 O MET A 749 17.124 7.160 48.461 1.00 56.04 O ATOM 254 CB MET A 749 19.649 5.705 47.307 1.00 47.65 C ATOM 255 CG MET A 749 21.079 6.069 46.789 1.00 51.88 C ATOM 256 SD MET A 749 21.048 7.780 46.206 1.00 54.78 S ATOM 257 CE MET A 749 20.138 7.676 44.659 1.00 58.34 C ATOM 258 H MET A 749 20.649 5.118 49.595 1.00 0.00 H ATOM 259 N GLU A 750 17.540 5.423 49.860 1.00 47.97 N ATOM 260 CA GLU A 750 16.154 5.203 50.262 1.00 56.31 C ATOM 261 C GLU A 750 16.000 4.836 51.724 1.00 53.71 C ATOM 262 O GLU A 750 16.925 4.332 52.310 1.00 53.34 O ATOM 263 CB GLU A 750 15.552 4.037 49.420 1.00 62.46 C ATOM 264 CG GLU A 750 14.650 4.571 48.314 1.00 74.98 C ATOM 265 CD GLU A 750 14.497 3.642 47.134 1.00 86.75 C ATOM 266 OE1 GLU A 750 14.398 2.404 47.330 1.00 93.47 O ATOM 267 OE2 GLU A 750 14.475 4.172 45.998 1.00 94.31 O ATOM 268 H GLU A 750 18.288 4.843 50.291 1.00 0.00 H ATOM 269 N PRO A 751 14.809 5.057 52.292 1.00 59.39 N ATOM 270 CA PRO A 751 14.532 4.727 53.677 1.00 62.67 C ATOM 271 C PRO A 751 14.955 3.306 54.070 1.00 58.31 C ATOM 272 O PRO A 751 14.713 2.340 53.347 1.00 57.04 O ATOM 273 CB PRO A 751 12.989 4.874 53.773 1.00 65.90 C ATOM 274 CG PRO A 751 12.615 5.876 52.719 1.00 63.65 C ATOM 275 CD PRO A 751 13.626 5.665 51.617 1.00 62.52 C ATOM 276 N VAL A 752 15.621 3.203 55.204 1.00 58.46 N ATOM 277 CA VAL A 752 15.945 1.917 55.775 1.00 65.72 C ATOM 278 C VAL A 752 14.634 1.194 56.090 1.00 72.36 C ATOM 279 O VAL A 752 13.749 1.787 56.699 1.00 71.95 O ATOM 280 CB VAL A 752 16.698 2.071 57.101 1.00 67.49 C ATOM 281 CG1 VAL A 752 16.943 0.689 57.715 1.00 67.16 C ATOM 282 CG2 VAL A 752 17.988 2.848 56.879 1.00 66.14 C ATOM 283 H VAL A 752 15.920 4.068 55.698 1.00 0.00 H ATOM 284 N LYS A 753 14.516 -0.071 55.706 1.00 76.30 N ATOM 285 CA LYS A 753 13.313 -0.863 56.080 1.00 86.91 C ATOM 286 C LYS A 753 13.439 -1.597 57.436 1.00 90.69 C ATOM 287 O LYS A 753 14.480 -2.186 57.725 1.00 98.24 O ATOM 288 CB LYS A 753 13.004 -1.861 54.990 1.00 85.29 C ATOM 289 CG LYS A 753 12.832 -1.200 53.633 1.00 89.01 C ATOM 290 CD LYS A 753 11.630 -1.711 52.880 1.00108.02 C ATOM 291 CE LYS A 753 11.759 -3.188 52.542 1.00116.20 C ATOM 292 NZ LYS A 753 13.047 -3.535 51.862 1.00123.13 N ATOM 293 HZ1 LYS A 753 13.121 -3.004 50.971 1.00 0.00 H ATOM 294 HZ2 LYS A 753 13.843 -3.286 52.483 1.00 0.00 H ATOM 295 HZ3 LYS A 753 13.068 -4.555 51.661 1.00 0.00 H ATOM 296 H LYS A 753 15.269 -0.512 55.140 1.00 0.00 H ATOM 297 N ARG A 754 12.386 -1.582 58.260 1.00 97.91 N ATOM 298 CA ARG A 754 12.398 -2.306 59.561 1.00100.19 C ATOM 299 C ARG A 754 12.716 -3.774 59.366 1.00 93.37 C ATOM 300 O ARG A 754 13.392 -4.392 60.212 1.00 86.84 O ATOM 301 CB ARG A 754 11.038 -2.251 60.255 1.00110.92 C ATOM 302 CG ARG A 754 10.544 -0.877 60.641 1.00118.50 C ATOM 303 CD ARG A 754 9.033 -0.772 60.447 1.00125.03 C ATOM 304 NE ARG A 754 8.665 0.602 60.136 1.00130.56 N ATOM 305 CZ ARG A 754 8.717 1.632 60.979 1.00127.96 C ATOM 306 NH1 ARG A 754 9.115 1.472 62.242 1.00129.66 N ATOM 307 NH2 ARG A 754 8.359 2.838 60.537 1.00124.30 N ATOM 308 HE ARG A 754 8.332 0.796 59.170 1.00 0.00 H ATOM 309 HH12 ARG A 754 9.148 2.289 62.884 1.00 0.00 H ATOM 310 HH11 ARG A 754 9.392 0.530 62.585 1.00 0.00 H ATOM 311 HH22 ARG A 754 8.391 3.657 61.177 1.00 0.00 H ATOM 312 HH21 ARG A 754 8.047 2.960 59.552 1.00 0.00 H ATOM 313 H ARG A 754 11.536 -1.050 57.985 1.00 0.00 H ATOM 314 N THR A 755 12.198 -4.313 58.257 1.00 85.62 N ATOM 315 CA THR A 755 12.454 -5.687 57.882 1.00 89.49 C ATOM 316 C THR A 755 13.933 -5.921 57.637 1.00 92.80 C ATOM 317 O THR A 755 14.413 -6.982 57.949 1.00 96.49 O ATOM 318 CB THR A 755 11.626 -6.154 56.663 1.00 89.65 C ATOM 319 OG1 THR A 755 12.019 -5.446 55.477 1.00 89.80 O ATOM 320 CG2 THR A 755 10.119 -5.961 56.920 1.00 86.95 C ATOM 321 HG1 THR A 755 12.977 -5.615 55.296 1.00 0.00 H ATOM 322 H THR A 755 11.593 -3.727 57.646 1.00 0.00 H ATOM 323 N GLU A 756 14.676 -4.936 57.129 1.00 92.69 N ATOM 324 CA GLU A 756 16.119 -5.094 56.951 1.00 87.56 C ATOM 325 C GLU A 756 16.919 -4.865 58.243 1.00 88.97 C ATOM 326 O GLU A 756 18.055 -5.305 58.318 1.00 92.47 O ATOM 327 CB GLU A 756 16.679 -4.094 55.925 1.00 95.22 C ATOM 328 CG GLU A 756 16.082 -4.086 54.528 1.00101.09 C ATOM 329 CD GLU A 756 16.663 -2.944 53.663 1.00104.20 C ATOM 330 OE1 GLU A 756 16.608 -1.737 54.055 1.00 84.36 O ATOM 331 OE2 GLU A 756 17.182 -3.264 52.567 1.00107.02 O ATOM 332 H GLU A 756 14.222 -4.041 56.855 1.00 0.00 H ATOM 333 N ALA A 757 16.402 -4.102 59.212 1.00 83.96 N ATOM 334 CA ALA A 757 17.267 -3.591 60.304 1.00 82.43 C ATOM 335 C ALA A 757 16.653 -3.643 61.698 1.00 89.99 C ATOM 336 O ALA A 757 15.992 -2.682 62.127 1.00 85.71 O ATOM 337 CB ALA A 757 17.720 -2.174 59.998 1.00 77.91 C ATOM 338 H ALA A 757 15.389 -3.866 59.200 1.00 0.00 H ATOM 339 N PRO A 758 16.892 -4.753 62.423 1.00 99.40 N ATOM 340 CA PRO A 758 16.119 -4.930 63.655 1.00105.76 C ATOM 341 C PRO A 758 16.241 -3.744 64.637 1.00105.74 C ATOM 342 O PRO A 758 17.349 -3.256 64.914 1.00 98.15 O ATOM 343 CB PRO A 758 16.685 -6.246 64.261 1.00108.53 C ATOM 344 CG PRO A 758 17.805 -6.694 63.357 1.00108.04 C ATOM 345 CD PRO A 758 17.610 -5.985 62.045 1.00100.69 C ATOM 346 N GLY A 759 15.103 -3.236 65.110 1.00106.13 N ATOM 347 CA GLY A 759 15.131 -2.139 66.064 1.00101.88 C ATOM 348 C GLY A 759 15.854 -0.903 65.571 1.00 96.52 C ATOM 349 O GLY A 759 16.346 -0.133 66.382 1.00 94.36 O ATOM 350 H GLY A 759 14.192 -3.626 64.795 1.00 0.00 H ATOM 351 N TYR A 760 15.919 -0.694 64.259 1.00 89.86 N ATOM 352 CA TYR A 760 16.456 0.563 63.736 1.00 82.99 C ATOM 353 C TYR A 760 15.585 1.727 64.188 1.00 79.71 C ATOM 354 O TYR A 760 16.080 2.697 64.770 1.00 73.91 O ATOM 355 CB TYR A 760 16.501 0.558 62.214 1.00 80.43 C ATOM 356 CG TYR A 760 17.130 1.812 61.596 1.00 81.03 C ATOM 357 CD1 TYR A 760 16.353 2.925 61.236 1.00 73.87 C ATOM 358 CD2 TYR A 760 18.492 1.847 61.328 1.00 81.11 C ATOM 359 CE1 TYR A 760 16.920 4.038 60.628 1.00 68.94 C ATOM 360 CE2 TYR A 760 19.069 2.946 60.713 1.00 73.80 C ATOM 361 CZ TYR A 760 18.296 4.048 60.377 1.00 72.18 C ATOM 362 OH TYR A 760 18.938 5.141 59.794 1.00 64.66 O ATOM 363 HH TYR A 760 19.367 4.858 58.948 1.00 0.00 H ATOM 364 H TYR A 760 15.586 -1.428 63.601 1.00 0.00 H ATOM 365 N TYR A 761 14.284 1.603 63.956 1.00 79.85 N ATOM 366 CA TYR A 761 13.341 2.674 64.258 1.00 82.76 C ATOM 367 C TYR A 761 13.094 2.808 65.766 1.00 86.73 C ATOM 368 O TYR A 761 12.420 3.734 66.203 1.00 81.19 O ATOM 369 CB TYR A 761 12.042 2.516 63.441 1.00 82.21 C ATOM 370 CG TYR A 761 12.219 2.954 61.959 1.00 83.53 C ATOM 371 CD1 TYR A 761 12.985 2.203 61.071 1.00 83.25 C ATOM 372 CD2 TYR A 761 11.603 4.115 61.452 1.00 87.01 C ATOM 373 CE1 TYR A 761 13.166 2.606 59.736 1.00 86.74 C ATOM 374 CE2 TYR A 761 11.775 4.518 60.120 1.00 85.87 C ATOM 375 CZ TYR A 761 12.564 3.769 59.262 1.00 84.27 C ATOM 376 OH TYR A 761 12.745 4.167 57.939 1.00 79.01 O ATOM 377 HH TYR A 761 13.333 3.518 57.478 1.00 0.00 H ATOM 378 H TYR A 761 13.927 0.716 63.547 1.00 0.00 H ATOM 379 N GLU A 762 13.653 1.899 66.565 1.00 88.66 N ATOM 380 CA GLU A 762 13.663 2.078 68.018 1.00 96.90 C ATOM 381 C GLU A 762 14.787 3.030 68.402 1.00 93.66 C ATOM 382 O GLU A 762 14.643 3.810 69.343 1.00 96.65 O ATOM 383 CB GLU A 762 13.803 0.727 68.768 1.00104.85 C ATOM 384 CG GLU A 762 12.507 -0.080 68.947 1.00112.28 C ATOM 385 CD GLU A 762 11.634 -0.176 67.693 1.00118.58 C ATOM 386 OE1 GLU A 762 12.160 -0.286 66.563 1.00123.85 O ATOM 387 OE2 GLU A 762 10.392 -0.155 67.838 1.00129.83 O ATOM 388 H GLU A 762 14.088 1.050 66.150 1.00 0.00 H ATOM 389 N VAL A 763 15.904 2.938 67.682 1.00 85.01 N ATOM 390 CA VAL A 763 17.156 3.634 68.029 1.00 87.65 C ATOM 391 C VAL A 763 17.253 4.990 67.331 1.00 81.05 C ATOM 392 O VAL A 763 17.718 5.967 67.899 1.00 80.77 O ATOM 393 CB VAL A 763 18.390 2.766 67.638 1.00 91.96 C ATOM 394 CG1 VAL A 763 19.693 3.470 67.964 1.00 94.78 C ATOM 395 CG2 VAL A 763 18.350 1.411 68.351 1.00105.80 C ATOM 396 H VAL A 763 15.892 2.343 66.829 1.00 0.00 H ATOM 397 N ILE A 764 16.829 5.032 66.084 1.00 77.71 N ATOM 398 CA ILE A 764 16.922 6.224 65.277 1.00 72.75 C ATOM 399 C ILE A 764 15.551 6.882 65.241 1.00 70.10 C ATOM 400 O ILE A 764 14.644 6.388 64.633 1.00 68.49 O ATOM 401 CB ILE A 764 17.343 5.840 63.836 1.00 67.05 C ATOM 402 CG1 ILE A 764 18.692 5.113 63.854 1.00 62.68 C ATOM 403 CG2 ILE A 764 17.336 7.051 62.914 1.00 65.11 C ATOM 404 CD1 ILE A 764 19.807 5.855 64.562 1.00 64.58 C ATOM 405 H ILE A 764 16.412 4.175 65.667 1.00 0.00 H ATOM 406 N ARG A 765 15.437 8.045 65.837 1.00 73.75 N ATOM 407 CA ARG A 765 14.151 8.708 65.954 1.00 79.30 C ATOM 408 C ARG A 765 13.785 9.639 64.798 1.00 77.46 C ATOM 409 O ARG A 765 12.596 9.834 64.523 1.00 73.76 O ATOM 410 CB ARG A 765 14.110 9.495 67.244 1.00 92.60 C ATOM 411 CG ARG A 765 12.691 9.815 67.706 1.00104.91 C ATOM 412 CD ARG A 765 12.495 9.476 69.174 1.00120.09 C ATOM 413 NE ARG A 765 11.303 10.141 69.705 1.00132.49 N ATOM 414 CZ ARG A 765 11.264 11.421 70.100 1.00141.50 C ATOM 415 NH1 ARG A 765 10.128 11.928 70.570 1.00151.87 N ATOM 416 NH2 ARG A 765 12.349 12.208 70.037 1.00136.05 N ATOM 417 HE ARG A 765 10.429 9.583 69.781 1.00 0.00 H ATOM 418 HH12 ARG A 765 10.090 12.920 70.878 1.00 0.00 H ATOM 419 HH11 ARG A 765 9.278 11.332 70.629 1.00 0.00 H ATOM 420 HH22 ARG A 765 12.292 13.198 70.350 1.00 0.00 H ATOM 421 HH21 ARG A 765 13.247 11.828 69.675 1.00 0.00 H ATOM 422 H ARG A 765 16.284 8.501 66.233 1.00 0.00 H ATOM 423 N PHE A 766 14.787 10.193 64.105 1.00 69.25 N ATOM 424 CA PHE A 766 14.530 11.031 62.920 1.00 65.29 C ATOM 425 C PHE A 766 15.232 10.485 61.687 1.00 62.40 C ATOM 426 O PHE A 766 16.295 10.962 61.281 1.00 57.45 O ATOM 427 CB PHE A 766 14.946 12.451 63.220 1.00 71.34 C ATOM 428 CG PHE A 766 14.195 13.033 64.382 1.00 81.89 C ATOM 429 CD1 PHE A 766 12.952 13.623 64.198 1.00 87.80 C ATOM 430 CD2 PHE A 766 14.696 12.926 65.676 1.00 85.43 C ATOM 431 CE1 PHE A 766 12.229 14.130 65.285 1.00 96.22 C ATOM 432 CE2 PHE A 766 13.981 13.426 66.762 1.00 92.03 C ATOM 433 CZ PHE A 766 12.748 14.036 66.567 1.00 95.58 C ATOM 434 H PHE A 766 15.768 10.029 64.409 1.00 0.00 H ATOM 435 N PRO A 767 14.660 9.441 61.109 1.00 65.54 N ATOM 436 CA PRO A 767 15.260 8.823 59.933 1.00 64.01 C ATOM 437 C PRO A 767 15.359 9.804 58.748 1.00 56.17 C ATOM 438 O PRO A 767 14.535 10.672 58.616 1.00 55.48 O ATOM 439 CB PRO A 767 14.313 7.670 59.589 1.00 61.44 C ATOM 440 CG PRO A 767 13.260 7.667 60.649 1.00 68.67 C ATOM 441 CD PRO A 767 13.324 8.906 61.440 1.00 67.89 C ATOM 442 N MET A 768 16.362 9.660 57.900 1.00 51.58 N ATOM 443 CA MET A 768 16.446 10.545 56.743 1.00 47.67 C ATOM 444 C MET A 768 17.193 9.832 55.680 1.00 46.60 C ATOM 445 O MET A 768 17.985 8.913 55.956 1.00 49.25 O ATOM 446 CB MET A 768 17.106 11.910 57.139 1.00 49.87 C ATOM 447 CG MET A 768 17.125 13.005 56.060 1.00 48.22 C ATOM 448 SD MET A 768 15.511 13.256 55.216 1.00 51.80 S ATOM 449 CE MET A 768 14.513 13.826 56.600 1.00 49.60 C ATOM 450 H MET A 768 17.082 8.926 58.055 1.00 0.00 H ATOM 451 N ASP A 769 16.906 10.198 54.437 1.00 44.53 N ATOM 452 CA ASP A 769 17.547 9.600 53.292 1.00 41.44 C ATOM 453 C ASP A 769 17.459 10.512 52.101 1.00 37.74 C ATOM 454 O ASP A 769 16.733 11.501 52.121 1.00 43.11 O ATOM 455 CB ASP A 769 16.907 8.248 52.951 1.00 42.35 C ATOM 456 CG ASP A 769 15.452 8.425 52.494 1.00 46.81 C ATOM 457 OD1 ASP A 769 14.566 8.530 53.342 1.00 52.59 O ATOM 458 OD2 ASP A 769 15.268 8.662 51.318 1.00 48.77 O ATOM 459 H ASP A 769 16.195 10.941 54.284 1.00 0.00 H ATOM 460 N LEU A 770 18.203 10.177 51.053 1.00 35.55 N ATOM 461 CA LEU A 770 18.363 11.140 49.985 1.00 38.69 C ATOM 462 C LEU A 770 17.127 11.222 49.033 1.00 42.10 C ATOM 463 O LEU A 770 16.939 12.246 48.374 1.00 40.41 O ATOM 464 CB LEU A 770 19.593 10.785 49.155 1.00 38.45 C ATOM 465 CG LEU A 770 20.916 10.836 49.949 1.00 40.35 C ATOM 466 CD1 LEU A 770 22.088 10.277 49.132 1.00 45.32 C ATOM 467 CD2 LEU A 770 21.239 12.225 50.393 1.00 37.98 C ATOM 468 H LEU A 770 18.660 9.244 51.001 1.00 0.00 H ATOM 469 N LYS A 771 16.337 10.152 48.972 1.00 43.34 N ATOM 470 CA LYS A 771 15.053 10.220 48.248 1.00 44.66 C ATOM 471 C LYS A 771 14.102 11.174 48.961 1.00 44.40 C ATOM 472 O LYS A 771 13.480 12.059 48.348 1.00 47.84 O ATOM 473 CB LYS A 771 14.399 8.860 48.165 1.00 51.69 C ATOM 474 CG LYS A 771 13.080 8.965 47.384 1.00 61.92 C ATOM 475 CD LYS A 771 12.284 7.669 47.403 1.00 72.59 C ATOM 476 CE LYS A 771 12.184 6.996 46.050 1.00 85.92 C ATOM 477 NZ LYS A 771 11.188 5.887 46.120 1.00 94.57 N ATOM 478 HZ1 LYS A 771 11.493 5.193 46.832 1.00 0.00 H ATOM 479 HZ2 LYS A 771 10.260 6.273 46.386 1.00 0.00 H ATOM 480 HZ3 LYS A 771 11.120 5.425 45.191 1.00 0.00 H ATOM 481 H LYS A 771 16.625 9.267 49.435 1.00 0.00 H ATOM 482 N THR A 772 13.999 11.043 50.277 1.00 45.77 N ATOM 483 CA THR A 772 13.175 11.967 51.035 1.00 44.45 C ATOM 484 C THR A 772 13.706 13.384 50.855 1.00 48.58 C ATOM 485 O THR A 772 12.931 14.306 50.777 1.00 45.51 O ATOM 486 CB THR A 772 13.207 11.591 52.485 1.00 49.00 C ATOM 487 OG1 THR A 772 12.780 10.237 52.569 1.00 48.66 O ATOM 488 CG2 THR A 772 12.372 12.498 53.356 1.00 51.32 C ATOM 489 HG1 THR A 772 13.394 9.665 52.044 1.00 0.00 H ATOM 490 H THR A 772 14.508 10.279 50.765 1.00 0.00 H ATOM 491 N MET A 773 15.017 13.581 50.850 1.00 47.28 N ATOM 492 CA MET A 773 15.522 14.946 50.701 1.00 46.07 C ATOM 493 C MET A 773 15.186 15.519 49.322 1.00 45.00 C ATOM 494 O MET A 773 14.914 16.708 49.204 1.00 44.92 O ATOM 495 CB MET A 773 17.046 15.013 50.891 1.00 42.90 C ATOM 496 CG MET A 773 17.484 14.777 52.321 1.00 46.04 C ATOM 497 SD MET A 773 19.233 15.257 52.679 1.00 48.06 S ATOM 498 CE MET A 773 19.206 17.004 52.275 1.00 47.05 C ATOM 499 H MET A 773 15.674 12.781 50.950 1.00 0.00 H ATOM 500 N SER A 774 15.310 14.700 48.286 1.00 47.68 N ATOM 501 CA SER A 774 14.876 15.092 46.937 1.00 50.45 C ATOM 502 C SER A 774 13.416 15.549 46.913 1.00 47.48 C ATOM 503 O SER A 774 13.091 16.575 46.300 1.00 45.70 O ATOM 504 CB SER A 774 15.068 13.942 45.959 1.00 49.81 C ATOM 505 OG SER A 774 16.453 13.672 45.852 1.00 51.35 O ATOM 506 HG SER A 774 16.809 13.423 46.742 1.00 0.00 H ATOM 507 H SER A 774 15.724 13.757 48.432 1.00 0.00 H ATOM 508 N GLU A 775 12.563 14.810 47.585 1.00 48.26 N ATOM 509 CA GLU A 775 11.154 15.209 47.675 1.00 55.83 C ATOM 510 C GLU A 775 10.991 16.518 48.406 1.00 54.44 C ATOM 511 O GLU A 775 10.281 17.409 47.936 1.00 47.82 O ATOM 512 CB GLU A 775 10.303 14.176 48.402 1.00 58.57 C ATOM 513 CG GLU A 775 10.215 12.799 47.768 1.00 72.32 C ATOM 514 CD GLU A 775 9.383 11.850 48.624 1.00 85.36 C ATOM 515 OE1 GLU A 775 8.536 12.340 49.468 1.00 77.71 O ATOM 516 OE2 GLU A 775 9.600 10.621 48.414 1.00 86.93 O ATOM 517 H GLU A 775 12.887 13.940 48.054 1.00 0.00 H ATOM 518 N ARG A 776 11.605 16.619 49.581 1.00 49.10 N ATOM 519 CA ARG A 776 11.570 17.859 50.309 1.00 49.00 C ATOM 520 C ARG A 776 12.031 19.041 49.471 1.00 49.14 C ATOM 521 O ARG A 776 11.457 20.119 49.526 1.00 52.62 O ATOM 522 CB ARG A 776 12.425 17.762 51.574 1.00 51.42 C ATOM 523 CG ARG A 776 11.750 16.945 52.662 1.00 54.63 C ATOM 524 CD ARG A 776 12.579 16.744 53.922 1.00 52.92 C ATOM 525 NE ARG A 776 11.769 16.116 54.952 1.00 51.07 N ATOM 526 CZ ARG A 776 11.946 16.259 56.266 1.00 56.04 C ATOM 527 NH1 ARG A 776 12.954 16.965 56.740 1.00 52.52 N ATOM 528 NH2 ARG A 776 11.146 15.642 57.105 1.00 58.30 N ATOM 529 HE ARG A 776 10.988 15.505 54.639 1.00 0.00 H ATOM 530 HH12 ARG A 776 13.079 17.068 57.767 1.00 0.00 H ATOM 531 HH11 ARG A 776 13.624 17.419 56.087 1.00 0.00 H ATOM 532 HH22 ARG A 776 11.282 15.752 58.130 1.00 0.00 H ATOM 533 HH21 ARG A 776 10.376 15.043 56.744 1.00 0.00 H ATOM 534 H ARG A 776 12.111 15.800 49.974 1.00 0.00 H ATOM 535 N LEU A 777 13.111 18.866 48.741 1.00 49.19 N ATOM 536 CA LEU A 777 13.610 19.930 47.898 1.00 49.94 C ATOM 537 C LEU A 777 12.587 20.384 46.843 1.00 52.16 C ATOM 538 O LEU A 777 12.294 21.573 46.674 1.00 52.38 O ATOM 539 CB LEU A 777 14.891 19.457 47.210 1.00 50.48 C ATOM 540 CG LEU A 777 15.485 20.469 46.243 1.00 54.58 C ATOM 541 CD1 LEU A 777 15.923 21.684 47.037 1.00 57.69 C ATOM 542 CD2 LEU A 777 16.656 19.876 45.478 1.00 57.53 C ATOM 543 H LEU A 777 13.611 17.954 48.770 1.00 0.00 H ATOM 544 N LYS A 778 12.042 19.402 46.127 1.00 53.46 N ATOM 545 CA LYS A 778 11.025 19.636 45.125 1.00 53.21 C ATOM 546 C LYS A 778 9.815 20.297 45.744 1.00 51.51 C ATOM 547 O LYS A 778 9.209 21.167 45.125 1.00 55.81 O ATOM 548 CB LYS A 778 10.691 18.286 44.478 1.00 53.37 C ATOM 549 CG LYS A 778 9.576 18.204 43.483 1.00 60.96 C ATOM 550 CD LYS A 778 9.977 18.926 42.212 1.00 65.46 C ATOM 551 CE LYS A 778 9.227 18.361 41.014 1.00 71.63 C ATOM 552 NZ LYS A 778 9.361 19.282 39.837 1.00 78.52 N ATOM 553 HZ1 LYS A 778 8.965 20.212 40.080 1.00 0.00 H ATOM 554 HZ2 LYS A 778 10.366 19.385 39.592 1.00 0.00 H ATOM 555 HZ3 LYS A 778 8.845 18.884 39.027 1.00 0.00 H ATOM 556 H LYS A 778 12.361 18.426 46.295 1.00 0.00 H ATOM 557 N ASN A 779 9.497 19.930 46.973 1.00 50.50 N ATOM 558 CA ASN A 779 8.384 20.548 47.698 1.00 54.15 C ATOM 559 C ASN A 779 8.668 21.905 48.303 1.00 55.26 C ATOM 560 O ASN A 779 7.823 22.425 49.019 1.00 61.86 O ATOM 561 CB ASN A 779 7.900 19.630 48.807 1.00 51.82 C ATOM 562 CG ASN A 779 7.323 18.358 48.303 1.00 49.98 C ATOM 563 OD1 ASN A 779 6.992 18.228 47.135 1.00 52.14 O ATOM 564 ND2 ASN A 779 7.194 17.377 49.203 1.00 49.63 N ATOM 565 HD22 ASN A 779 7.489 17.533 50.188 1.00 0.00 H ATOM 566 HD21 ASN A 779 6.798 16.458 48.918 1.00 0.00 H ATOM 567 H ASN A 779 10.051 19.183 47.438 1.00 0.00 H ATOM 568 N ARG A 780 9.839 22.481 48.050 1.00 57.12 N ATOM 569 CA ARG A 780 10.150 23.820 48.511 1.00 57.29 C ATOM 570 C ARG A 780 10.256 23.933 50.024 1.00 58.60 C ATOM 571 O ARG A 780 10.039 24.990 50.602 1.00 58.98 O ATOM 572 CB ARG A 780 9.146 24.835 47.968 1.00 63.75 C ATOM 573 CG ARG A 780 9.214 24.925 46.463 1.00 66.41 C ATOM 574 CD ARG A 780 10.538 25.548 46.114 1.00 66.11 C ATOM 575 NE ARG A 780 10.795 25.634 44.702 1.00 65.51 N ATOM 576 CZ ARG A 780 11.601 26.542 44.182 1.00 67.10 C ATOM 577 NH1 ARG A 780 12.256 27.375 44.961 1.00 69.48 N ATOM 578 NH2 ARG A 780 11.767 26.605 42.881 1.00 70.28 N ATOM 579 HE ARG A 780 10.329 24.956 44.066 1.00 0.00 H ATOM 580 HH12 ARG A 780 12.889 28.088 44.545 1.00 0.00 H ATOM 581 HH11 ARG A 780 12.141 27.321 45.993 1.00 0.00 H ATOM 582 HH22 ARG A 780 12.402 27.320 42.472 1.00 0.00 H ATOM 583 HH21 ARG A 780 11.264 25.940 42.260 1.00 0.00 H ATOM 584 H ARG A 780 10.553 21.956 47.506 1.00 0.00 H ATOM 585 N TYR A 781 10.682 22.849 50.653 1.00 57.21 N ATOM 586 CA TYR A 781 10.898 22.814 52.079 1.00 59.14 C ATOM 587 C TYR A 781 12.207 23.481 52.517 1.00 59.96 C ATOM 588 O TYR A 781 12.273 24.076 53.587 1.00 65.43 O ATOM 589 CB TYR A 781 10.913 21.385 52.519 1.00 58.43 C ATOM 590 CG TYR A 781 11.256 21.218 53.955 1.00 56.45 C ATOM 591 CD1 TYR A 781 10.341 21.567 54.954 1.00 63.67 C ATOM 592 CD2 TYR A 781 12.460 20.695 54.318 1.00 56.83 C ATOM 593 CE1 TYR A 781 10.656 21.404 56.283 1.00 63.43 C ATOM 594 CE2 TYR A 781 12.809 20.542 55.651 1.00 62.86 C ATOM 595 CZ TYR A 781 11.899 20.907 56.625 1.00 63.55 C ATOM 596 OH TYR A 781 12.244 20.712 57.920 1.00 68.96 O ATOM 597 HH TYR A 781 11.506 21.015 58.506 1.00 0.00 H ATOM 598 H TYR A 781 10.868 21.989 50.098 1.00 0.00 H ATOM 599 N TYR A 782 13.227 23.430 51.664 1.00 54.90 N ATOM 600 CA TYR A 782 14.529 23.929 52.037 1.00 56.22 C ATOM 601 C TYR A 782 14.619 25.439 51.765 1.00 56.52 C ATOM 602 O TYR A 782 15.307 25.894 50.840 1.00 59.73 O ATOM 603 CB TYR A 782 15.643 23.134 51.344 1.00 52.38 C ATOM 604 CG TYR A 782 15.674 21.675 51.787 1.00 53.93 C ATOM 605 CD1 TYR A 782 15.780 21.347 53.099 1.00 52.14 C ATOM 606 CD2 TYR A 782 15.587 20.634 50.860 1.00 53.25 C ATOM 607 CE1 TYR A 782 15.842 20.043 53.505 1.00 57.14 C ATOM 608 CE2 TYR A 782 15.641 19.322 51.263 1.00 50.01 C ATOM 609 CZ TYR A 782 15.745 19.031 52.576 1.00 48.19 C ATOM 610 OH TYR A 782 15.758 17.714 53.031 1.00 45.42 O ATOM 611 HH TYR A 782 15.840 17.708 54.018 1.00 0.00 H ATOM 612 H TYR A 782 13.084 23.025 50.717 1.00 0.00 H ATOM 613 N VAL A 783 13.924 26.201 52.606 1.00 60.90 N ATOM 614 CA VAL A 783 13.902 27.652 52.485 1.00 65.09 C ATOM 615 C VAL A 783 15.202 28.286 53.026 1.00 73.79 C ATOM 616 O VAL A 783 15.454 29.454 52.763 1.00 70.65 O ATOM 617 CB VAL A 783 12.661 28.274 53.152 1.00 66.99 C ATOM 618 CG1 VAL A 783 11.382 27.738 52.502 1.00 65.98 C ATOM 619 CG2 VAL A 783 12.629 28.042 54.656 1.00 67.53 C ATOM 620 H VAL A 783 13.382 25.748 53.370 1.00 0.00 H ATOM 621 N SER A 784 16.038 27.507 53.726 1.00 75.68 N ATOM 622 CA SER A 784 17.361 27.964 54.162 1.00 74.15 C ATOM 623 C SER A 784 18.405 26.883 54.065 1.00 69.27 C ATOM 624 O SER A 784 18.096 25.676 53.998 1.00 64.77 O ATOM 625 CB SER A 784 17.333 28.418 55.619 1.00 74.38 C ATOM 626 OG SER A 784 17.102 27.321 56.474 1.00 72.49 O ATOM 627 HG SER A 784 17.826 26.655 56.358 1.00 0.00 H ATOM 628 H SER A 784 15.737 26.542 53.969 1.00 0.00 H ATOM 629 N LYS A 785 19.650 27.342 54.102 1.00 63.01 N ATOM 630 CA LYS A 785 20.830 26.491 54.053 1.00 61.13 C ATOM 631 C LYS A 785 20.806 25.549 55.246 1.00 62.48 C ATOM 632 O LYS A 785 21.067 24.361 55.133 1.00 60.58 O ATOM 633 CB LYS A 785 22.115 27.339 54.070 1.00 67.83 C ATOM 634 H LYS A 785 19.791 28.370 54.170 1.00 0.00 H ATOM 635 N LYS A 786 20.476 26.084 56.402 1.00 64.24 N ATOM 636 CA LYS A 786 20.493 25.304 57.625 1.00 66.08 C ATOM 637 C LYS A 786 19.535 24.109 57.607 1.00 57.65 C ATOM 638 O LYS A 786 19.836 23.057 58.161 1.00 58.28 O ATOM 639 CB LYS A 786 20.145 26.253 58.771 1.00 65.90 C ATOM 640 CG LYS A 786 19.651 25.660 60.076 1.00 73.42 C ATOM 641 CD LYS A 786 19.279 26.799 61.040 1.00 80.76 C ATOM 642 CE LYS A 786 18.989 26.321 62.433 1.00 86.02 C ATOM 643 NZ LYS A 786 18.854 27.478 63.363 1.00 98.19 N ATOM 644 HZ1 LYS A 786 19.741 28.022 63.369 1.00 0.00 H ATOM 645 HZ2 LYS A 786 18.074 28.088 63.045 1.00 0.00 H ATOM 646 HZ3 LYS A 786 18.654 27.129 64.322 1.00 0.00 H ATOM 647 H LYS A 786 20.198 27.085 56.440 1.00 0.00 H ATOM 648 N LEU A 787 18.345 24.284 57.041 1.00 59.52 N ATOM 649 CA LEU A 787 17.395 23.145 56.992 1.00 56.10 C ATOM 650 C LEU A 787 17.978 22.035 56.141 1.00 51.08 C ATOM 651 O LEU A 787 17.948 20.873 56.531 1.00 50.35 O ATOM 652 CB LEU A 787 16.037 23.557 56.423 1.00 61.41 C ATOM 653 CG LEU A 787 15.181 24.356 57.389 1.00 65.58 C ATOM 654 CD1 LEU A 787 13.972 24.974 56.695 1.00 69.93 C ATOM 655 CD2 LEU A 787 14.767 23.486 58.562 1.00 67.15 C ATOM 656 H LEU A 787 18.083 25.206 56.638 1.00 0.00 H ATOM 657 N PHE A 788 18.562 22.399 55.017 1.00 51.21 N ATOM 658 CA PHE A 788 19.182 21.434 54.131 1.00 51.53 C ATOM 659 C PHE A 788 20.344 20.740 54.806 1.00 52.56 C ATOM 660 O PHE A 788 20.469 19.511 54.750 1.00 47.73 O ATOM 661 CB PHE A 788 19.606 22.138 52.854 1.00 48.22 C ATOM 662 CG PHE A 788 20.232 21.231 51.834 1.00 48.44 C ATOM 663 CD1 PHE A 788 19.451 20.586 50.880 1.00 50.02 C ATOM 664 CD2 PHE A 788 21.582 21.053 51.795 1.00 47.62 C ATOM 665 CE1 PHE A 788 20.022 19.787 49.928 1.00 49.09 C ATOM 666 CE2 PHE A 788 22.142 20.253 50.854 1.00 50.59 C ATOM 667 CZ PHE A 788 21.361 19.616 49.921 1.00 47.07 C ATOM 668 H PHE A 788 18.578 23.406 54.759 1.00 0.00 H ATOM 669 N MET A 789 21.216 21.525 55.444 1.00 54.79 N ATOM 670 CA MET A 789 22.378 20.959 56.120 1.00 51.81 C ATOM 671 C MET A 789 22.015 20.047 57.243 1.00 45.50 C ATOM 672 O MET A 789 22.620 19.000 57.391 1.00 46.51 O ATOM 673 CB MET A 789 23.290 22.046 56.702 1.00 59.12 C ATOM 674 CG MET A 789 24.690 21.972 56.160 1.00 68.17 C ATOM 675 SD MET A 789 25.135 23.261 54.978 1.00 85.32 S ATOM 676 CE MET A 789 24.757 24.872 55.713 1.00 73.44 C ATOM 677 H MET A 789 21.064 22.554 55.459 1.00 0.00 H ATOM 678 N ALA A 790 20.998 20.378 58.021 1.00 44.84 N ATOM 679 CA ALA A 790 20.606 19.485 59.098 1.00 44.80 C ATOM 680 C ALA A 790 20.123 18.126 58.588 1.00 46.37 C ATOM 681 O ALA A 790 20.439 17.085 59.171 1.00 48.72 O ATOM 682 CB ALA A 790 19.530 20.145 59.998 1.00 49.27 C ATOM 683 H ALA A 790 20.484 21.268 57.863 1.00 0.00 H ATOM 684 N ASP A 791 19.325 18.109 57.521 1.00 49.05 N ATOM 685 CA ASP A 791 18.769 16.832 57.004 1.00 45.54 C ATOM 686 C ASP A 791 19.905 15.962 56.511 1.00 41.17 C ATOM 687 O ASP A 791 20.033 14.787 56.864 1.00 45.07 O ATOM 688 CB ASP A 791 17.740 17.079 55.872 1.00 49.28 C ATOM 689 CG ASP A 791 16.356 17.437 56.380 1.00 51.91 C ATOM 690 OD1 ASP A 791 16.188 17.483 57.609 1.00 57.51 O ATOM 691 OD2 ASP A 791 15.400 17.645 55.553 1.00 56.26 O ATOM 692 H ASP A 791 19.088 19.002 57.044 1.00 0.00 H ATOM 693 N LEU A 792 20.787 16.546 55.741 1.00 41.48 N ATOM 694 CA LEU A 792 21.862 15.753 55.203 1.00 44.33 C ATOM 695 C LEU A 792 22.835 15.296 56.257 1.00 44.94 C ATOM 696 O LEU A 792 23.301 14.140 56.215 1.00 44.16 O ATOM 697 CB LEU A 792 22.606 16.520 54.169 1.00 47.08 C ATOM 698 CG LEU A 792 23.603 15.741 53.300 1.00 51.75 C ATOM 699 CD1 LEU A 792 23.188 14.340 52.841 1.00 53.76 C ATOM 700 CD2 LEU A 792 23.810 16.584 52.081 1.00 54.42 C ATOM 701 H LEU A 792 20.713 17.560 55.522 1.00 0.00 H ATOM 702 N GLN A 793 23.088 16.133 57.271 1.00 48.87 N ATOM 703 CA GLN A 793 23.980 15.705 58.377 1.00 49.31 C ATOM 704 C GLN A 793 23.355 14.552 59.119 1.00 51.63 C ATOM 705 O GLN A 793 24.036 13.600 59.524 1.00 50.66 O ATOM 706 CB GLN A 793 24.270 16.799 59.423 1.00 51.80 C ATOM 707 CG GLN A 793 25.336 16.368 60.411 1.00 49.60 C ATOM 708 CD GLN A 793 26.646 16.247 59.699 1.00 51.68 C ATOM 709 OE1 GLN A 793 27.066 17.222 59.066 1.00 56.68 O ATOM 710 NE2 GLN A 793 27.282 15.057 59.734 1.00 45.69 N ATOM 711 HE22 GLN A 793 26.882 14.270 60.284 1.00 0.00 H ATOM 712 HE21 GLN A 793 28.172 14.927 59.211 1.00 0.00 H ATOM 713 H GLN A 793 22.660 17.081 57.283 1.00 0.00 H ATOM 714 N ARG A 794 22.049 14.620 59.320 1.00 51.33 N ATOM 715 CA ARG A 794 21.360 13.534 59.969 1.00 56.82 C ATOM 716 C ARG A 794 21.438 12.204 59.221 1.00 51.06 C ATOM 717 O ARG A 794 21.482 11.152 59.845 1.00 51.85 O ATOM 718 CB ARG A 794 19.919 13.887 60.157 1.00 59.92 C ATOM 719 CG ARG A 794 19.258 12.899 61.100 1.00 72.25 C ATOM 720 CD ARG A 794 18.158 13.545 61.944 1.00 79.07 C ATOM 721 NE ARG A 794 17.214 14.068 60.970 1.00 89.84 N ATOM 722 CZ ARG A 794 17.089 15.349 60.608 1.00 95.13 C ATOM 723 NH1 ARG A 794 17.785 16.329 61.198 1.00 91.04 N ATOM 724 NH2 ARG A 794 16.206 15.658 59.664 1.00 98.43 N ATOM 725 HE ARG A 794 16.578 13.383 60.513 1.00 0.00 H ATOM 726 HH12 ARG A 794 17.661 17.314 60.889 1.00 0.00 H ATOM 727 HH11 ARG A 794 18.450 16.105 61.966 1.00 0.00 H ATOM 728 HH22 ARG A 794 16.090 16.647 59.365 1.00 0.00 H ATOM 729 HH21 ARG A 794 15.631 14.911 59.225 1.00 0.00 H ATOM 730 H ARG A 794 21.519 15.459 59.009 1.00 0.00 H ATOM 731 N VAL A 795 21.481 12.235 57.902 1.00 48.45 N ATOM 732 CA VAL A 795 21.677 10.992 57.189 1.00 45.41 C ATOM 733 C VAL A 795 22.963 10.330 57.719 1.00 51.46 C ATOM 734 O VAL A 795 23.019 9.088 57.990 1.00 45.02 O ATOM 735 CB VAL A 795 21.782 11.223 55.675 1.00 47.69 C ATOM 736 CG1 VAL A 795 22.199 9.971 54.934 1.00 48.02 C ATOM 737 CG2 VAL A 795 20.483 11.754 55.092 1.00 47.81 C ATOM 738 H VAL A 795 21.376 13.133 57.387 1.00 0.00 H ATOM 739 N PHE A 796 24.023 11.135 57.878 1.00 51.62 N ATOM 740 CA PHE A 796 25.320 10.510 58.285 1.00 50.48 C ATOM 741 C PHE A 796 25.336 10.050 59.707 1.00 49.16 C ATOM 742 O PHE A 796 25.834 8.947 60.033 1.00 50.43 O ATOM 743 CB PHE A 796 26.492 11.428 57.996 1.00 51.59 C ATOM 744 CG PHE A 796 26.519 11.919 56.583 1.00 48.69 C ATOM 745 CD1 PHE A 796 26.324 11.044 55.561 1.00 53.51 C ATOM 746 CD2 PHE A 796 26.665 13.259 56.305 1.00 47.19 C ATOM 747 CE1 PHE A 796 26.319 11.485 54.279 1.00 50.93 C ATOM 748 CE2 PHE A 796 26.668 13.702 55.030 1.00 46.15 C ATOM 749 CZ PHE A 796 26.477 12.805 54.008 1.00 48.27 C ATOM 750 H PHE A 796 23.946 12.161 57.723 1.00 0.00 H ATOM 751 N THR A 797 24.785 10.870 60.565 1.00 50.77 N ATOM 752 CA THR A 797 24.872 10.609 61.974 1.00 55.79 C ATOM 753 C THR A 797 23.971 9.443 62.374 1.00 57.11 C ATOM 754 O THR A 797 24.325 8.657 63.257 1.00 58.66 O ATOM 755 CB THR A 797 24.575 11.892 62.820 1.00 57.62 C ATOM 756 OG1 THR A 797 23.218 12.284 62.634 1.00 58.73 O ATOM 757 CG2 THR A 797 25.519 13.050 62.400 1.00 57.94 C ATOM 758 HG1 THR A 797 23.034 13.095 63.170 1.00 0.00 H ATOM 759 H THR A 797 24.282 11.714 60.225 1.00 0.00 H ATOM 760 N ASN A 798 22.828 9.283 61.698 1.00 56.77 N ATOM 761 CA ASN A 798 22.041 8.044 61.872 1.00 52.09 C ATOM 762 C ASN A 798 22.867 6.817 61.521 1.00 54.24 C ATOM 763 O ASN A 798 22.993 5.821 62.300 1.00 52.91 O ATOM 764 CB ASN A 798 20.784 8.069 61.012 1.00 53.05 C ATOM 765 CG ASN A 798 19.743 9.101 61.478 1.00 56.60 C ATOM 766 OD1 ASN A 798 19.842 9.681 62.526 1.00 53.67 O ATOM 767 ND2 ASN A 798 18.745 9.318 60.653 1.00 58.48 N ATOM 768 HD22 ASN A 798 18.691 8.798 59.754 1.00 0.00 H ATOM 769 HD21 ASN A 798 18.008 10.010 60.898 1.00 0.00 H ATOM 770 H ASN A 798 22.494 10.027 61.053 1.00 0.00 H ATOM 771 N CYS A 799 23.447 6.863 60.342 1.00 47.08 N ATOM 772 CA CYS A 799 24.194 5.691 59.895 1.00 50.60 C ATOM 773 C CYS A 799 25.317 5.357 60.944 1.00 53.36 C ATOM 774 O CYS A 799 25.542 4.162 61.303 1.00 48.83 O ATOM 775 CB CYS A 799 24.769 5.975 58.541 1.00 41.96 C ATOM 776 SG CYS A 799 25.818 4.697 57.970 1.00 52.26 S ATOM 777 H CYS A 799 23.376 7.711 59.744 1.00 0.00 H ATOM 778 N LYS A 800 25.998 6.391 61.456 1.00 50.28 N ATOM 779 CA LYS A 800 27.176 6.134 62.287 1.00 52.04 C ATOM 780 C LYS A 800 26.853 5.656 63.644 1.00 59.83 C ATOM 781 O LYS A 800 27.657 4.950 64.259 1.00 63.31 O ATOM 782 CB LYS A 800 28.058 7.377 62.400 1.00 49.24 C ATOM 783 CG LYS A 800 28.857 7.503 61.119 1.00 50.09 C ATOM 784 CD LYS A 800 29.893 8.598 61.190 1.00 54.94 C ATOM 785 CE LYS A 800 29.378 9.905 60.633 1.00 54.31 C ATOM 786 NZ LYS A 800 30.516 10.852 60.603 1.00 51.14 N ATOM 787 HZ1 LYS A 800 30.880 10.985 61.568 1.00 0.00 H ATOM 788 HZ2 LYS A 800 31.269 10.468 59.997 1.00 0.00 H ATOM 789 HZ3 LYS A 800 30.195 11.766 60.223 1.00 0.00 H ATOM 790 H LYS A 800 25.693 7.367 61.265 1.00 0.00 H ATOM 791 N GLU A 801 25.737 6.152 64.161 1.00 56.90 N ATOM 792 CA GLU A 801 25.261 5.667 65.372 1.00 59.37 C ATOM 793 C GLU A 801 24.816 4.193 65.269 1.00 64.09 C ATOM 794 O GLU A 801 25.062 3.413 66.208 1.00 73.07 O ATOM 795 CB GLU A 801 24.065 6.484 65.798 1.00 63.97 C ATOM 796 CG GLU A 801 23.339 5.769 66.945 1.00 70.39 C ATOM 797 CD GLU A 801 22.673 6.700 67.930 1.00 73.41 C ATOM 798 OE1 GLU A 801 22.478 7.876 67.509 1.00 74.64 O ATOM 799 OE2 GLU A 801 22.403 6.244 69.101 1.00 71.05 O ATOM 800 H GLU A 801 25.219 6.903 63.661 1.00 0.00 H ATOM 801 N TYR A 802 24.123 3.832 64.198 1.00 63.27 N ATOM 802 CA TYR A 802 23.506 2.508 64.115 1.00 63.03 C ATOM 803 C TYR A 802 24.480 1.417 63.696 1.00 65.73 C ATOM 804 O TYR A 802 24.501 0.374 64.289 1.00 66.03 O ATOM 805 CB TYR A 802 22.339 2.505 63.170 1.00 67.18 C ATOM 806 CG TYR A 802 21.564 1.217 63.234 1.00 71.51 C ATOM 807 CD1 TYR A 802 20.674 0.955 64.306 1.00 73.86 C ATOM 808 CD2 TYR A 802 21.733 0.244 62.252 1.00 71.30 C ATOM 809 CE1 TYR A 802 19.969 -0.246 64.359 1.00 74.44 C ATOM 810 CE2 TYR A 802 21.024 -0.941 62.291 1.00 78.43 C ATOM 811 CZ TYR A 802 20.157 -1.192 63.341 1.00 78.37 C ATOM 812 OH TYR A 802 19.485 -2.384 63.286 1.00 80.88 O ATOM 813 HH TYR A 802 18.896 -2.466 64.077 1.00 0.00 H ATOM 814 H TYR A 802 24.017 4.498 63.407 1.00 0.00 H ATOM 815 N ASN A 803 25.321 1.654 62.716 1.00 61.35 N ATOM 816 CA ASN A 803 26.229 0.607 62.266 1.00 65.09 C ATOM 817 C ASN A 803 27.629 0.513 62.996 1.00 69.08 C ATOM 818 O ASN A 803 28.115 1.487 63.496 1.00 60.25 O ATOM 819 CB ASN A 803 26.435 0.805 60.772 1.00 62.49 C ATOM 820 CG ASN A 803 25.120 0.708 59.999 1.00 62.79 C ATOM 821 OD1 ASN A 803 24.632 -0.387 59.779 1.00 61.05 O ATOM 822 ND2 ASN A 803 24.526 1.846 59.635 1.00 62.83 N ATOM 823 HD22 ASN A 803 24.979 2.759 59.843 1.00 0.00 H ATOM 824 HD21 ASN A 803 23.610 1.820 59.143 1.00 0.00 H ATOM 825 H ASN A 803 25.339 2.589 62.261 1.00 0.00 H ATOM 826 N PRO A 804 28.258 -0.686 62.998 1.00 72.10 N ATOM 827 CA PRO A 804 29.617 -0.799 63.511 1.00 70.03 C ATOM 828 C PRO A 804 30.662 -0.003 62.691 1.00 66.33 C ATOM 829 O PRO A 804 30.476 0.250 61.480 1.00 56.95 O ATOM 830 CB PRO A 804 29.903 -2.307 63.513 1.00 73.18 C ATOM 831 CG PRO A 804 28.813 -2.971 62.735 1.00 71.79 C ATOM 832 CD PRO A 804 27.695 -1.983 62.562 1.00 70.03 C ATOM 833 N PRO A 805 31.743 0.424 63.378 1.00 58.08 N ATOM 834 CA PRO A 805 32.565 1.508 62.891 1.00 60.54 C ATOM 835 C PRO A 805 33.368 1.089 61.673 1.00 62.14 C ATOM 836 O PRO A 805 33.780 1.933 60.869 1.00 58.39 O ATOM 837 CB PRO A 805 33.497 1.827 64.085 1.00 64.99 C ATOM 838 CG PRO A 805 33.429 0.628 64.989 1.00 67.74 C ATOM 839 CD PRO A 805 32.085 -0.004 64.747 1.00 68.47 C ATOM 840 N GLU A 806 33.625 -0.208 61.555 1.00 61.57 N ATOM 841 CA GLU A 806 34.361 -0.698 60.424 1.00 68.25 C ATOM 842 C GLU A 806 33.413 -1.270 59.397 1.00 65.62 C ATOM 843 O GLU A 806 33.877 -1.859 58.419 1.00 69.15 O ATOM 844 CB GLU A 806 35.398 -1.746 60.878 1.00 72.45 C ATOM 845 CG GLU A 806 36.413 -1.178 61.877 1.00 76.77 C ATOM 846 CD GLU A 806 37.006 0.161 61.427 1.00 76.28 C ATOM 847 OE1 GLU A 806 37.472 0.248 60.278 1.00 82.13 O ATOM 848 OE2 GLU A 806 36.998 1.146 62.197 1.00 77.17 O ATOM 849 H GLU A 806 33.292 -0.871 62.284 1.00 0.00 H ATOM 850 N SER A 807 32.103 -1.077 59.559 1.00 64.02 N ATOM 851 CA SER A 807 31.140 -1.587 58.527 1.00 65.13 C ATOM 852 C SER A 807 31.289 -0.772 57.251 1.00 61.43 C ATOM 853 O SER A 807 31.782 0.368 57.252 1.00 57.37 O ATOM 854 CB SER A 807 29.683 -1.556 59.003 1.00 60.35 C ATOM 855 OG SER A 807 29.236 -0.226 59.155 1.00 63.97 O ATOM 856 HG SER A 807 29.801 0.237 59.823 1.00 0.00 H ATOM 857 H SER A 807 31.750 -0.574 60.398 1.00 0.00 H ATOM 858 N GLU A 808 30.878 -1.368 56.152 1.00 57.48 N ATOM 859 CA GLU A 808 30.821 -0.693 54.871 1.00 58.06 C ATOM 860 C GLU A 808 29.926 0.543 54.919 1.00 56.81 C ATOM 861 O GLU A 808 30.276 1.584 54.321 1.00 58.17 O ATOM 862 CB GLU A 808 30.319 -1.692 53.824 1.00 67.03 C ATOM 863 CG GLU A 808 30.372 -1.229 52.383 1.00 65.75 C ATOM 864 CD GLU A 808 29.944 -2.336 51.442 1.00 71.87 C ATOM 865 OE1 GLU A 808 30.552 -2.433 50.347 1.00 71.87 O ATOM 866 OE2 GLU A 808 29.018 -3.127 51.810 1.00 79.53 O ATOM 867 H GLU A 808 30.582 -2.364 56.205 1.00 0.00 H ATOM 868 N TYR A 809 28.831 0.511 55.696 1.00 56.71 N ATOM 869 CA TYR A 809 27.923 1.678 55.712 1.00 54.96 C ATOM 870 C TYR A 809 28.616 2.855 56.411 1.00 54.78 C ATOM 871 O TYR A 809 28.513 3.978 55.952 1.00 48.12 O ATOM 872 CB TYR A 809 26.556 1.382 56.362 1.00 55.88 C ATOM 873 CG TYR A 809 25.709 0.242 55.709 1.00 54.51 C ATOM 874 CD1 TYR A 809 25.711 0.018 54.384 1.00 48.52 C ATOM 875 CD2 TYR A 809 24.990 -0.641 56.518 1.00 64.66 C ATOM 876 CE1 TYR A 809 24.972 -1.054 53.843 1.00 58.51 C ATOM 877 CE2 TYR A 809 24.264 -1.716 56.023 1.00 61.98 C ATOM 878 CZ TYR A 809 24.239 -1.923 54.693 1.00 59.03 C ATOM 879 OH TYR A 809 23.489 -3.023 54.313 1.00 61.08 O ATOM 880 HH TYR A 809 23.515 -3.114 53.328 1.00 0.00 H ATOM 881 H TYR A 809 28.624 -0.325 56.280 1.00 0.00 H ATOM 882 N TYR A 810 29.285 2.570 57.543 1.00 56.47 N ATOM 883 CA TYR A 810 29.991 3.590 58.296 1.00 49.13 C ATOM 884 C TYR A 810 31.073 4.202 57.410 1.00 45.35 C ATOM 885 O TYR A 810 31.119 5.368 57.276 1.00 50.45 O ATOM 886 CB TYR A 810 30.533 2.982 59.625 1.00 53.99 C ATOM 887 CG TYR A 810 30.868 4.010 60.687 1.00 49.26 C ATOM 888 CD1 TYR A 810 31.851 4.930 60.488 1.00 49.48 C ATOM 889 CD2 TYR A 810 30.150 4.086 61.884 1.00 54.19 C ATOM 890 CE1 TYR A 810 32.148 5.907 61.480 1.00 49.66 C ATOM 891 CE2 TYR A 810 30.460 5.023 62.882 1.00 54.68 C ATOM 892 CZ TYR A 810 31.448 5.946 62.660 1.00 49.57 C ATOM 893 OH TYR A 810 31.748 6.895 63.641 1.00 57.96 O ATOM 894 HH TYR A 810 32.480 7.479 63.320 1.00 0.00 H ATOM 895 H TYR A 810 29.297 1.589 57.889 1.00 0.00 H ATOM 896 N LYS A 811 31.893 3.401 56.720 1.00 51.35 N ATOM 897 CA LYS A 811 32.933 3.935 55.807 1.00 51.63 C ATOM 898 C LYS A 811 32.340 4.835 54.751 1.00 53.78 C ATOM 899 O LYS A 811 32.895 5.893 54.444 1.00 50.77 O ATOM 900 CB LYS A 811 33.690 2.801 55.088 1.00 59.18 C ATOM 901 CG LYS A 811 34.623 2.062 56.027 1.00 69.33 C ATOM 902 CD LYS A 811 35.158 0.797 55.404 1.00 78.38 C ATOM 903 CE LYS A 811 35.952 0.090 56.477 1.00 89.84 C ATOM 904 NZ LYS A 811 36.556 -1.152 55.940 1.00 97.56 N ATOM 905 HZ1 LYS A 811 35.803 -1.785 55.603 1.00 0.00 H ATOM 906 HZ2 LYS A 811 37.190 -0.915 55.150 1.00 0.00 H ATOM 907 HZ3 LYS A 811 37.098 -1.625 56.691 1.00 0.00 H ATOM 908 H LYS A 811 31.798 2.371 56.827 1.00 0.00 H ATOM 909 N CYS A 812 31.202 4.395 54.146 1.00 52.23 N ATOM 910 CA CYS A 812 30.507 5.191 53.177 1.00 45.77 C ATOM 911 C CYS A 812 30.067 6.498 53.769 1.00 43.32 C ATOM 912 O CYS A 812 30.251 7.550 53.138 1.00 42.05 O ATOM 913 CB CYS A 812 29.272 4.427 52.534 1.00 46.37 C ATOM 914 SG CYS A 812 29.778 3.100 51.459 1.00 54.60 S ATOM 915 H CYS A 812 30.827 3.457 54.393 1.00 0.00 H ATOM 916 N ALA A 813 29.432 6.455 54.929 1.00 42.99 N ATOM 917 CA ALA A 813 28.961 7.674 55.537 1.00 45.36 C ATOM 918 C ALA A 813 30.054 8.759 55.712 1.00 50.62 C ATOM 919 O ALA A 813 29.831 9.947 55.385 1.00 49.06 O ATOM 920 CB ALA A 813 28.397 7.385 56.881 1.00 49.38 C ATOM 921 H ALA A 813 29.273 5.542 55.402 1.00 0.00 H ATOM 922 N ASN A 814 31.241 8.368 56.179 1.00 53.06 N ATOM 923 CA ASN A 814 32.286 9.398 56.395 1.00 50.21 C ATOM 924 C ASN A 814 32.907 9.859 55.118 1.00 46.96 C ATOM 925 O ASN A 814 33.259 11.022 54.993 1.00 41.46 O ATOM 926 CB ASN A 814 33.390 8.883 57.301 1.00 52.61 C ATOM 927 CG ASN A 814 33.090 9.132 58.756 1.00 54.52 C ATOM 928 OD1 ASN A 814 32.290 10.006 59.111 1.00 52.65 O ATOM 929 ND2 ASN A 814 33.728 8.357 59.610 1.00 55.66 N ATOM 930 HD22 ASN A 814 34.392 7.636 59.262 1.00 0.00 H ATOM 931 HD21 ASN A 814 33.568 8.467 60.632 1.00 0.00 H ATOM 932 H ASN A 814 31.429 7.366 56.386 1.00 0.00 H ATOM 933 N ILE A 815 33.019 8.953 54.132 1.00 50.53 N ATOM 934 CA ILE A 815 33.449 9.355 52.813 1.00 46.70 C ATOM 935 C ILE A 815 32.514 10.419 52.242 1.00 45.56 C ATOM 936 O ILE A 815 32.933 11.455 51.697 1.00 43.57 O ATOM 937 CB ILE A 815 33.587 8.155 51.866 1.00 50.31 C ATOM 938 CG1 ILE A 815 34.784 7.298 52.274 1.00 58.57 C ATOM 939 CG2 ILE A 815 33.819 8.610 50.438 1.00 53.43 C ATOM 940 CD1 ILE A 815 34.869 5.908 51.603 1.00 59.08 C ATOM 941 H ILE A 815 32.794 7.955 54.320 1.00 0.00 H ATOM 942 N LEU A 816 31.214 10.157 52.294 1.00 47.81 N ATOM 943 CA LEU A 816 30.269 11.057 51.632 1.00 48.44 C ATOM 944 C LEU A 816 30.134 12.343 52.411 1.00 48.52 C ATOM 945 O LEU A 816 29.877 13.397 51.856 1.00 41.71 O ATOM 946 CB LEU A 816 28.885 10.381 51.534 1.00 48.07 C ATOM 947 CG LEU A 816 27.860 11.002 50.595 1.00 44.89 C ATOM 948 CD1 LEU A 816 28.387 11.046 49.194 1.00 43.62 C ATOM 949 CD2 LEU A 816 26.541 10.236 50.645 1.00 44.92 C ATOM 950 H LEU A 816 30.869 9.318 52.802 1.00 0.00 H ATOM 951 N GLU A 817 30.209 12.228 53.727 1.00 44.52 N ATOM 952 CA GLU A 817 30.232 13.438 54.583 1.00 47.70 C ATOM 953 C GLU A 817 31.391 14.341 54.249 1.00 39.01 C ATOM 954 O GLU A 817 31.170 15.516 54.043 1.00 41.11 O ATOM 955 CB GLU A 817 30.275 13.100 56.052 1.00 48.51 C ATOM 956 CG GLU A 817 30.160 14.288 57.013 1.00 54.71 C ATOM 957 CD GLU A 817 30.430 13.812 58.463 1.00 60.10 C ATOM 958 OE1 GLU A 817 31.582 13.296 58.631 1.00 55.39 O ATOM 959 OE2 GLU A 817 29.513 13.859 59.347 1.00 56.00 O ATOM 960 H GLU A 817 30.252 11.285 54.163 1.00 0.00 H ATOM 961 N LYS A 818 32.587 13.790 54.048 1.00 43.76 N ATOM 962 CA LYS A 818 33.699 14.604 53.576 1.00 46.93 C ATOM 963 C LYS A 818 33.377 15.270 52.294 1.00 49.56 C ATOM 964 O LYS A 818 33.662 16.453 52.102 1.00 46.46 O ATOM 965 CB LYS A 818 34.966 13.788 53.304 1.00 49.99 C ATOM 966 CG LYS A 818 35.784 13.381 54.503 1.00 59.03 C ATOM 967 CD LYS A 818 37.082 12.723 54.028 1.00 60.13 C ATOM 968 CE LYS A 818 37.801 12.177 55.216 1.00 62.31 C ATOM 969 NZ LYS A 818 39.021 11.447 54.825 1.00 65.31 N ATOM 970 HZ1 LYS A 818 38.765 10.654 54.203 1.00 0.00 H ATOM 971 HZ2 LYS A 818 39.662 12.092 54.320 1.00 0.00 H ATOM 972 HZ3 LYS A 818 39.493 11.082 55.677 1.00 0.00 H ATOM 973 H LYS A 818 32.727 12.775 54.229 1.00 0.00 H ATOM 974 N PHE A 819 32.794 14.504 51.368 1.00 51.07 N ATOM 975 CA PHE A 819 32.455 15.074 50.062 1.00 46.83 C ATOM 976 C PHE A 819 31.465 16.194 50.222 1.00 47.03 C ATOM 977 O PHE A 819 31.598 17.260 49.644 1.00 46.77 O ATOM 978 CB PHE A 819 31.910 13.948 49.133 1.00 49.76 C ATOM 979 CG PHE A 819 31.509 14.408 47.758 1.00 50.38 C ATOM 980 CD1 PHE A 819 32.466 14.628 46.785 1.00 50.13 C ATOM 981 CD2 PHE A 819 30.196 14.575 47.439 1.00 50.91 C ATOM 982 CE1 PHE A 819 32.092 14.993 45.492 1.00 54.39 C ATOM 983 CE2 PHE A 819 29.801 14.981 46.165 1.00 53.74 C ATOM 984 CZ PHE A 819 30.754 15.184 45.185 1.00 54.33 C ATOM 985 H PHE A 819 32.582 13.507 51.573 1.00 0.00 H ATOM 986 N PHE A 820 30.413 15.936 50.977 1.00 47.44 N ATOM 987 CA PHE A 820 29.413 16.947 51.264 1.00 46.14 C ATOM 988 C PHE A 820 30.028 18.230 51.822 1.00 50.56 C ATOM 989 O PHE A 820 29.738 19.313 51.306 1.00 51.18 O ATOM 990 CB PHE A 820 28.416 16.338 52.226 1.00 48.88 C ATOM 991 CG PHE A 820 27.641 17.295 53.097 1.00 53.85 C ATOM 992 CD1 PHE A 820 26.700 18.141 52.568 1.00 60.90 C ATOM 993 CD2 PHE A 820 27.745 17.212 54.500 1.00 64.03 C ATOM 994 CE1 PHE A 820 25.929 18.943 53.402 1.00 59.83 C ATOM 995 CE2 PHE A 820 26.968 18.025 55.355 1.00 72.31 C ATOM 996 CZ PHE A 820 26.065 18.898 54.793 1.00 68.23 C ATOM 997 H PHE A 820 30.298 14.983 51.377 1.00 0.00 H ATOM 998 N PHE A 821 30.861 18.140 52.868 1.00 50.83 N ATOM 999 CA PHE A 821 31.407 19.397 53.454 1.00 52.42 C ATOM 1000 C PHE A 821 32.222 20.122 52.422 1.00 52.52 C ATOM 1001 O PHE A 821 32.146 21.348 52.363 1.00 57.80 O ATOM 1002 CB PHE A 821 32.287 19.189 54.715 1.00 51.79 C ATOM 1003 CG PHE A 821 31.506 19.002 55.982 1.00 48.56 C ATOM 1004 CD1 PHE A 821 30.787 20.034 56.511 1.00 59.71 C ATOM 1005 CD2 PHE A 821 31.469 17.802 56.606 1.00 47.99 C ATOM 1006 CE1 PHE A 821 30.017 19.842 57.652 1.00 56.15 C ATOM 1007 CE2 PHE A 821 30.727 17.600 57.747 1.00 50.54 C ATOM 1008 CZ PHE A 821 29.973 18.620 58.259 1.00 50.89 C ATOM 1009 H PHE A 821 31.121 17.213 53.262 1.00 0.00 H ATOM 1010 N SER A 822 32.986 19.400 51.590 1.00 55.68 N ATOM 1011 CA SER A 822 33.749 20.060 50.523 1.00 59.01 C ATOM 1012 C SER A 822 32.832 20.799 49.541 1.00 65.23 C ATOM 1013 O SER A 822 33.149 21.902 49.105 1.00 69.42 O ATOM 1014 CB SER A 822 34.647 19.071 49.755 1.00 63.99 C ATOM 1015 OG SER A 822 33.901 18.392 48.747 1.00 76.36 O ATOM 1016 HG SER A 822 33.159 17.890 49.169 1.00 0.00 H ATOM 1017 H SER A 822 33.039 18.367 51.701 1.00 0.00 H ATOM 1018 N LYS A 823 31.669 20.240 49.196 1.00 66.59 N ATOM 1019 CA LYS A 823 30.741 20.965 48.284 1.00 65.29 C ATOM 1020 C LYS A 823 30.026 22.162 48.920 1.00 57.82 C ATOM 1021 O LYS A 823 29.812 23.167 48.293 1.00 65.60 O ATOM 1022 CB LYS A 823 29.690 20.008 47.681 1.00 68.16 C ATOM 1023 CG LYS A 823 30.281 18.911 46.807 1.00 67.84 C ATOM 1024 CD LYS A 823 30.927 19.495 45.564 1.00 77.73 C ATOM 1025 CE LYS A 823 32.013 18.572 45.057 1.00 86.23 C ATOM 1026 NZ LYS A 823 32.669 19.169 43.877 1.00 93.52 N ATOM 1027 HZ1 LYS A 823 31.964 19.315 43.127 1.00 0.00 H ATOM 1028 HZ2 LYS A 823 33.090 20.083 44.141 1.00 0.00 H ATOM 1029 HZ3 LYS A 823 33.414 18.529 43.535 1.00 0.00 H ATOM 1030 H LYS A 823 31.412 19.301 49.563 1.00 0.00 H ATOM 1031 N ILE A 824 29.621 22.025 50.165 1.00 56.46 N ATOM 1032 CA ILE A 824 29.042 23.130 50.940 1.00 57.92 C ATOM 1033 C ILE A 824 30.020 24.317 51.027 1.00 60.84 C ATOM 1034 O ILE A 824 29.633 25.449 50.785 1.00 64.26 O ATOM 1035 CB ILE A 824 28.761 22.663 52.389 1.00 70.96 C ATOM 1036 CG1 ILE A 824 27.566 21.714 52.404 1.00 74.50 C ATOM 1037 CG2 ILE A 824 28.558 23.846 53.342 1.00 82.36 C ATOM 1038 CD1 ILE A 824 26.335 22.309 51.798 1.00 77.04 C ATOM 1039 H ILE A 824 29.715 21.094 50.619 1.00 0.00 H ATOM 1040 N LYS A 825 31.281 24.033 51.361 1.00 60.57 N ATOM 1041 CA LYS A 825 32.297 25.077 51.398 1.00 71.43 C ATOM 1042 C LYS A 825 32.475 25.619 49.995 1.00 71.91 C ATOM 1043 O LYS A 825 32.561 26.822 49.811 1.00 69.01 O ATOM 1044 CB LYS A 825 33.637 24.580 51.950 1.00 70.93 C ATOM 1045 CG LYS A 825 33.568 24.369 53.456 1.00 79.30 C ATOM 1046 CD LYS A 825 34.804 23.674 54.027 1.00 82.09 C ATOM 1047 CE LYS A 825 34.495 22.948 55.328 1.00 80.45 C ATOM 1048 NZ LYS A 825 35.702 22.245 55.861 1.00 79.87 N ATOM 1049 HZ1 LYS A 825 36.032 21.547 55.164 1.00 0.00 H ATOM 1050 HZ2 LYS A 825 36.455 22.939 56.041 1.00 0.00 H ATOM 1051 HZ3 LYS A 825 35.456 21.761 56.748 1.00 0.00 H ATOM 1052 H LYS A 825 31.542 23.054 51.598 1.00 0.00 H ATOM 1053 N GLU A 826 32.542 24.731 49.019 1.00 72.69 N ATOM 1054 CA GLU A 826 32.793 25.160 47.634 1.00 77.45 C ATOM 1055 C GLU A 826 31.699 26.066 47.086 1.00 74.66 C ATOM 1056 O GLU A 826 31.982 26.921 46.293 1.00 84.26 O ATOM 1057 CB GLU A 826 32.962 23.940 46.760 1.00 82.62 C ATOM 1058 CG GLU A 826 33.122 24.166 45.274 1.00 94.68 C ATOM 1059 CD GLU A 826 33.104 22.834 44.560 1.00100.01 C ATOM 1060 OE1 GLU A 826 32.148 22.589 43.802 1.00106.93 O ATOM 1061 OE2 GLU A 826 34.011 22.007 44.822 1.00104.23 O ATOM 1062 H GLU A 826 32.416 23.721 49.231 1.00 0.00 H ATOM 1063 N ALA A 827 30.457 25.906 47.530 1.00 72.52 N ATOM 1064 CA ALA A 827 29.376 26.813 47.109 1.00 76.50 C ATOM 1065 C ALA A 827 29.203 28.048 48.010 1.00 81.04 C ATOM 1066 O ALA A 827 28.223 28.786 47.884 1.00 74.23 O ATOM 1067 CB ALA A 827 28.056 26.058 47.033 1.00 73.04 C ATOM 1068 H ALA A 827 30.245 25.127 48.186 1.00 0.00 H ATOM 1069 N GLY A 828 30.127 28.272 48.940 1.00 88.91 N ATOM 1070 CA GLY A 828 29.990 29.375 49.896 1.00 87.64 C ATOM 1071 C GLY A 828 28.690 29.353 50.686 1.00 84.96 C ATOM 1072 O GLY A 828 28.244 30.398 51.151 1.00 84.54 O ATOM 1073 H GLY A 828 30.962 27.654 48.990 1.00 0.00 H ATOM 1074 N LEU A 829 28.097 28.169 50.878 1.00 79.14 N ATOM 1075 CA LEU A 829 26.825 28.098 51.579 1.00 86.29 C ATOM 1076 C LEU A 829 27.065 28.538 53.049 1.00 93.05 C ATOM 1077 O LEU A 829 27.769 27.861 53.823 1.00 70.64 O ATOM 1078 CB LEU A 829 26.127 26.721 51.412 1.00 76.83 C ATOM 1079 H LEU A 829 28.546 27.299 50.526 1.00 0.00 H ATOM 1080 N ILE A 830 26.540 29.739 53.368 1.00113.51 N ATOM 1081 CA ILE A 830 26.687 30.426 54.685 1.00122.43 C ATOM 1082 C ILE A 830 25.325 30.482 55.429 1.00126.24 C ATOM 1083 O ILE A 830 24.315 30.881 54.849 1.00121.94 O ATOM 1084 CB ILE A 830 27.291 31.855 54.542 1.00103.04 C ATOM 1085 H ILE A 830 25.987 30.227 52.635 1.00 0.00 H ATOM 1086 N ASP A 831 25.317 30.052 56.700 1.00135.02 N ATOM 1087 CA ASP A 831 24.103 29.929 57.530 1.00127.12 C ATOM 1088 C ASP A 831 24.406 30.312 58.980 1.00127.22 C ATOM 1089 O ASP A 831 24.571 31.499 59.309 1.00128.74 O ATOM 1090 CB ASP A 831 23.568 28.490 57.499 1.00119.52 C ATOM 1091 H ASP A 831 26.227 29.788 57.129 1.00 0.00 H TER 1092 ASP A 831 HETATM 1093 O HOH 1 37.049 1.114 64.549 1.00 62.11 O HETATM 1094 O HOH 2 21.149 4.893 58.933 1.00 47.07 O HETATM 1095 O HOH 3 33.468 6.500 47.242 1.00 70.24 O HETATM 1096 O HOH 4 28.576 2.944 65.460 1.00 58.84 O HETATM 1097 O HOH 5 14.361 17.064 44.155 1.00 57.13 O HETATM 1098 O HOH 6 9.958 10.155 45.942 1.00 55.35 O HETATM 1099 O HOH 7 17.359 32.318 46.750 1.00 78.26 O HETATM 1100 O HOH 8 35.275 3.174 59.187 1.00 70.21 O HETATM 1101 O HOH 9 18.570 7.372 58.496 1.00 55.01 O HETATM 1102 O HOH 10 29.055 13.071 42.366 1.00 57.17 O HETATM 1103 O HOH 11 14.714 7.734 55.874 1.00 56.49 O HETATM 1104 O HOH 12 35.338 6.179 55.486 1.00 57.28 O HETATM 1105 O HOH 13 14.168 -6.742 54.528 1.00 77.34 O HETATM 1106 O HOH 14 14.870 25.630 48.196 1.00 57.64 O HETATM 1107 O HOH 15 8.710 27.329 50.386 1.00 61.65 O HETATM 1108 O HOH 16 35.148 11.931 50.196 1.00 46.13 O HETATM 1109 O HOH 17 19.185 4.665 53.783 1.00 46.55 O HETATM 1110 O HOH 18 30.175 28.994 54.465 1.00 82.82 O HETATM 1111 O HOH 19 38.055 9.380 53.314 1.00 55.82 O HETATM 1112 O HOH 20 9.555 14.487 54.723 1.00 63.27 O HETATM 1113 O HOH 21 26.436 4.983 45.372 1.00 51.84 O HETATM 1114 O HOH 22 33.890 12.549 57.227 1.00 48.83 O HETATM 1115 O HOH 23 32.021 -0.324 49.255 1.00 73.07 O HETATM 1116 O HOH 24 15.901 29.579 45.788 1.00 80.02 O HETATM 1117 O HOH 25 17.748 10.498 64.241 1.00 61.41 O HETATM 1118 O HOH 26 12.605 22.083 39.478 1.00 64.82 O HETATM 1119 O HOH 27 19.773 8.031 68.363 1.00 68.62 O HETATM 1120 O HOH 28 34.971 11.463 47.655 1.00 54.04 O HETATM 1121 O HOH 29 37.654 24.336 55.898 1.00 63.05 O HETATM 1122 O HOH 30 13.556 23.451 48.436 1.00 55.72 O HETATM 1123 O HOH 31 10.111 25.119 55.159 1.00 60.04 O HETATM 1124 O HOH 32 19.887 6.983 54.956 1.00 49.55 O HETATM 1125 O HOH 33 12.262 11.670 45.755 1.00 59.48 O HETATM 1126 O HOH 34 21.809 16.948 61.721 1.00 68.23 O HETATM 1127 O HOH 35 26.029 3.614 68.935 1.00 63.07 O HETATM 1128 O HOH 36 21.127 6.949 57.465 1.00 42.58 O HETATM 1129 O HOH 37 30.979 1.654 48.014 1.00 56.18 O HETATM 1130 O HOH 38 16.272 5.790 56.476 1.00 63.42 O HETATM 1131 O HOH 39 35.346 17.714 46.245 1.00 74.29 O HETATM 1132 O HOH 40 19.512 2.899 49.994 1.00 58.39 O HETATM 1133 O HOH 41 10.271 -0.590 56.374 1.00 80.32 O HETATM 1134 O HOH 42 32.078 9.372 43.354 1.00 56.75 O HETATM 1135 O HOH 43 11.411 14.073 44.832 1.00 55.71 O HETATM 1136 O HOH 44 14.095 28.076 47.371 1.00 79.75 O HETATM 1137 O HOH 45 35.177 5.891 58.358 1.00 63.97 O HETATM 1138 O HOH 46 27.778 -2.486 56.187 1.00 55.15 O HETATM 1139 O HOH 47 20.672 10.173 41.248 1.00 73.72 O HETATM 1140 O HOH 48 14.921 12.759 42.375 1.00 57.79 O HETATM 1141 O HOH 49 40.496 1.310 61.318 1.00 80.33 O HETATM 1142 O HOH 50 31.381 30.907 47.234 1.00 81.40 O HETATM 1143 O HOH 51 14.202 11.010 44.122 1.00 59.75 O HETATM 1144 O HOH 52 11.997 7.221 56.632 1.00 71.50 O HETATM 1145 O HOH 53 38.564 8.723 56.956 1.00 60.60 O HETATM 1146 O HOH 54 12.890 16.603 60.397 1.00 72.99 O HETATM 1147 O HOH 55 36.484 8.883 55.079 1.00 56.73 O HETATM 1148 O HOH 56 8.731 18.294 57.719 1.00 72.11 O HETATM 1149 O HOH 57 35.654 14.968 49.144 1.00 66.89 O HETATM 1150 O HOH 58 12.799 15.060 42.975 1.00 56.67 O HETATM 1151 O HOH 59 21.459 20.393 39.176 1.00 70.62 O HETATM 1152 O HOH 60 18.497 13.954 64.737 1.00 61.81 O HETATM 1153 O HOH 61 17.155 -0.978 47.841 1.00 67.01 O HETATM 1154 C01 UNN A 62 22.220 3.905 55.927 1.00 0.02 C HETATM 1155 N02 UNN A 62 21.718 2.542 55.976 1.00 -0.29 N HETATM 1156 C03 UNN A 62 21.709 1.835 57.107 1.00 0.20 C HETATM 1157 C04 UNN A 62 21.098 0.453 57.081 1.00 0.08 C HETATM 1158 C05 UNN A 62 21.191 -0.260 58.281 1.00 -0.05 C HETATM 1159 C06 UNN A 62 20.811 -1.597 58.359 1.00 -0.07 C HETATM 1160 C07 UNN A 62 20.317 -2.256 57.242 1.00 -0.07 C HETATM 1161 C08 UNN A 62 20.167 -1.579 56.043 1.00 -0.03 C HETATM 1162 C09 UNN A 62 20.529 -0.217 55.967 1.00 0.11 C HETATM 1163 O10 UNN A 62 20.252 0.574 54.869 1.00 -0.31 O HETATM 1164 C11 UNN A 62 20.047 -0.090 53.579 1.00 0.09 C HETATM 1165 C12 UNN A 62 21.389 -0.167 52.892 1.00 0.00 C HETATM 1166 C13 UNN A 62 21.217 -0.722 51.493 1.00 0.05 C HETATM 1167 O14 UNN A 62 20.320 0.069 50.729 1.00 -0.38 O HETATM 1168 C15 UNN A 62 19.033 0.123 51.381 1.00 0.05 C HETATM 1169 C16 UNN A 62 19.049 0.719 52.774 1.00 0.00 C HETATM 1170 H16 UNN A 62 19.360 1.773 52.732 1.00 0.03 H HETATM 1171 H17 UNN A 62 18.050 0.649 53.228 1.00 0.03 H HETATM 1172 H14 UNN A 62 18.643 -0.903 51.453 1.00 0.06 H HETATM 1173 H15 UNN A 62 18.359 0.729 50.758 1.00 0.06 H HETATM 1174 H12 UNN A 62 20.822 -1.746 51.560 1.00 0.06 H HETATM 1175 H13 UNN A 62 22.196 -0.738 50.992 1.00 0.06 H HETATM 1176 H10 UNN A 62 22.056 -0.826 53.467 1.00 0.03 H HETATM 1177 H11 UNN A 62 21.828 0.840 52.834 1.00 0.03 H HETATM 1178 H9 UNN A 62 19.653 -1.105 53.733 1.00 0.07 H HETATM 1179 H8 UNN A 62 19.775 -2.091 55.171 1.00 0.06 H HETATM 1180 H7 UNN A 62 20.048 -3.304 57.308 1.00 0.06 H HETATM 1181 H6 UNN A 62 20.902 -2.128 59.300 1.00 0.05 H HETATM 1182 H5 UNN A 62 21.566 0.238 59.167 1.00 0.06 H HETATM 1183 O17 UNN A 62 22.150 2.310 58.156 1.00 -0.39 O HETATM 1184 H4 UNN A 62 21.369 2.122 55.138 1.00 0.18 H HETATM 1185 H1 UNN A 62 22.132 4.291 54.901 1.00 0.05 H HETATM 1186 H2 UNN A 62 23.276 3.918 56.234 1.00 0.05 H HETATM 1187 H3 UNN A 62 21.632 4.537 56.608 1.00 0.05 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1154 1155 1185 1186 1187 CONECT 1155 1154 1156 1184 CONECT 1156 1155 1157 1183 CONECT 1157 1156 1158 1162 CONECT 1158 1157 1159 1182 CONECT 1159 1158 1160 1181 CONECT 1160 1159 1161 1180 CONECT 1161 1160 1162 1179 CONECT 1162 1157 1161 1163 CONECT 1163 1162 1164 CONECT 1164 1163 1165 1169 1178 CONECT 1165 1164 1166 1176 1177 CONECT 1166 1165 1167 1174 1175 CONECT 1167 1166 1168 CONECT 1168 1167 1169 1172 1173 CONECT 1169 1164 1168 1170 1171 CONECT 1170 1169 CONECT 1171 1169 CONECT 1172 1168 CONECT 1173 1168 CONECT 1174 1166 CONECT 1175 1166 CONECT 1176 1165 CONECT 1177 1165 CONECT 1178 1164 CONECT 1179 1161 CONECT 1180 1160 CONECT 1181 1159 CONECT 1182 1158 CONECT 1183 1156 CONECT 1184 1155 CONECT 1185 1154 CONECT 1186 1154 CONECT 1187 1154 MASTER 0 0 0 0 0 0 0 0 1186 1 38 9 END
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Related entries of code: 5lvq
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Protein Sequence Similarity
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
4nrb
RCSB PDB
PDBbind
2LX
Entry Information
PDB ID
5lvq
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
p300/CBP-associated factor
Ligand Name
2LX
EC.Number
E.C.-.-.-.-
Resolution
2.05(Å)
Affinity (Kd/Ki/IC50)
Kd=73uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) ACS Med Chem Lett Vol. 7: pp. 1213-1218
Ligand Properties
Formula
C
1
3
H
1
7
NO
3
Molecular Weight
235.279
Exact Mass
235.121
No. of atoms
34
No. of bonds
35
Polar Surface Area
47.56
LOGP Value
1.58 (
Computed with XLOGP3
)
1.99 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 2
Canonical SMILES
CNC(=O)c1ccccc1OC1CCOCC1
InChI String
InChI=1S/C13H17NO3/c1-14-13(15)11-4-2-3-5-12(11)17-10-6-8-16-9-7-10/h2-5,10H,6-9H2,1H3,(H,14,15)
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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