Browse entries in the PDBbind-CN Database
HEADER 5LVR_COMPLEX COMPND 5LVR_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 SEQRES 1 B 108 ARG ASP PRO ASP GLN LEU TYR SER THR LEU LYS SER ILE SEQRES 2 B 108 LEU GLN GLN VAL LYS SER HIS GLN SER ALA TRP PRO PHE SEQRES 3 B 108 MET GLU PRO VAL LYS ARG THR GLU ALA PRO GLY TYR TYR SEQRES 4 B 108 GLU VAL ILE ARG PHE PRO MET ASP LEU LYS THR MET SER SEQRES 5 B 108 GLU ARG LEU LYS ASN ARG TYR TYR VAL SER LYS LYS LEU SEQRES 6 B 108 PHE MET ALA ASP LEU GLN ARG VAL PHE THR ASN CYS LYS SEQRES 7 B 108 GLU TYR ASN PRO PRO GLU SER GLU TYR TYR LYS CYS ALA SEQRES 8 B 108 ASN ILE LEU GLU LYS PHE PHE PHE SER LYS ILE LYS GLU SEQRES 9 B 108 ALA GLY LEU ILE HET UNN A 350 25 ATOM 1 N ASP A 724 21.304 34.215 92.121 1.00159.29 N ATOM 2 CA ASP A 724 22.067 34.278 90.832 1.00155.97 C ATOM 3 C ASP A 724 21.986 32.967 90.038 1.00153.21 C ATOM 4 O ASP A 724 21.585 32.988 88.873 1.00153.88 O ATOM 5 CB ASP A 724 23.538 34.659 91.074 1.00151.08 C ATOM 6 HN3 ASP A 724 21.692 33.455 92.715 1.00 0.00 H ATOM 7 HN2 ASP A 724 20.302 34.022 91.920 1.00 0.00 H ATOM 8 HN1 ASP A 724 21.391 35.124 92.618 1.00 0.00 H ATOM 9 N PRO A 725 22.337 31.821 90.666 1.00147.00 N ATOM 10 CA PRO A 725 22.423 30.568 89.893 1.00140.06 C ATOM 11 C PRO A 725 21.071 29.935 89.504 1.00132.54 C ATOM 12 O PRO A 725 20.844 29.647 88.322 1.00132.97 O ATOM 13 CB PRO A 725 23.210 29.623 90.821 1.00137.19 C ATOM 14 CG PRO A 725 23.281 30.291 92.158 1.00138.62 C ATOM 15 CD PRO A 725 22.527 31.583 92.109 1.00140.70 C ATOM 16 N ASP A 726 20.183 29.737 90.481 1.00114.51 N ATOM 17 CA ASP A 726 18.918 29.056 90.257 1.00 95.45 C ATOM 18 C ASP A 726 17.795 30.074 90.092 1.00 88.81 C ATOM 19 O ASP A 726 16.634 29.775 90.368 1.00 77.23 O ATOM 20 CB ASP A 726 18.583 28.137 91.451 1.00 93.82 C ATOM 21 CG ASP A 726 18.799 26.677 91.152 1.00 89.63 C ATOM 22 OD1 ASP A 726 19.590 26.313 90.269 1.00 95.50 O ATOM 23 OD2 ASP A 726 18.168 25.870 91.825 1.00 85.61 O ATOM 24 H ASP A 726 20.404 30.082 91.437 1.00 0.00 H ATOM 25 N GLN A 727 18.134 31.286 89.671 1.00 85.28 N ATOM 26 CA GLN A 727 17.138 32.362 89.564 1.00 83.42 C ATOM 27 C GLN A 727 16.008 32.011 88.591 1.00 78.04 C ATOM 28 O GLN A 727 14.833 32.226 88.891 1.00 75.31 O ATOM 29 CB GLN A 727 17.811 33.673 89.135 1.00 83.68 C ATOM 30 CG GLN A 727 16.858 34.781 88.698 1.00 82.20 C ATOM 31 CD GLN A 727 17.557 36.126 88.597 1.00 82.57 C ATOM 32 OE1 GLN A 727 18.745 36.238 88.888 1.00 81.05 O ATOM 33 NE2 GLN A 727 16.821 37.149 88.179 1.00 82.36 N ATOM 34 HE22 GLN A 727 15.818 37.006 87.944 1.00 0.00 H ATOM 35 HE21 GLN A 727 17.247 38.093 88.087 1.00 0.00 H ATOM 36 H GLN A 727 19.123 31.478 89.412 1.00 0.00 H ATOM 37 N LEU A 728 16.378 31.476 87.431 1.00 68.25 N ATOM 38 CA LEU A 728 15.413 31.107 86.404 1.00 69.87 C ATOM 39 C LEU A 728 14.431 30.041 86.921 1.00 68.42 C ATOM 40 O LEU A 728 13.223 30.219 86.866 1.00 62.07 O ATOM 41 CB LEU A 728 16.144 30.594 85.158 1.00 73.67 C ATOM 42 CG LEU A 728 15.314 30.104 83.961 1.00 70.12 C ATOM 43 CD1 LEU A 728 14.434 31.231 83.435 1.00 72.12 C ATOM 44 CD2 LEU A 728 16.231 29.534 82.877 1.00 66.51 C ATOM 45 H LEU A 728 17.390 31.316 87.251 1.00 0.00 H ATOM 46 N TYR A 729 14.984 28.948 87.437 1.00 66.54 N ATOM 47 CA TYR A 729 14.219 27.897 88.042 1.00 60.90 C ATOM 48 C TYR A 729 13.218 28.457 89.033 1.00 65.68 C ATOM 49 O TYR A 729 12.079 28.039 89.013 1.00 60.51 O ATOM 50 CB TYR A 729 15.163 26.906 88.741 1.00 66.62 C ATOM 51 CG TYR A 729 14.468 25.717 89.358 1.00 66.55 C ATOM 52 CD1 TYR A 729 14.048 24.649 88.574 1.00 69.17 C ATOM 53 CD2 TYR A 729 14.167 25.692 90.698 1.00 67.44 C ATOM 54 CE1 TYR A 729 13.375 23.566 89.115 1.00 70.09 C ATOM 55 CE2 TYR A 729 13.497 24.615 91.240 1.00 72.57 C ATOM 56 CZ TYR A 729 13.128 23.540 90.432 1.00 72.72 C ATOM 57 OH TYR A 729 12.445 22.460 90.926 1.00 76.18 O ATOM 58 HH TYR A 729 12.281 21.812 90.195 1.00 0.00 H ATOM 59 H TYR A 729 16.019 28.851 87.400 1.00 0.00 H ATOM 60 N SER A 730 13.640 29.366 89.917 1.00 70.54 N ATOM 61 CA SER A 730 12.741 29.926 90.941 1.00 71.52 C ATOM 62 C SER A 730 11.628 30.731 90.314 1.00 64.72 C ATOM 63 O SER A 730 10.477 30.605 90.710 1.00 57.01 O ATOM 64 CB SER A 730 13.473 30.873 91.893 1.00 74.07 C ATOM 65 OG SER A 730 14.734 30.345 92.169 1.00 80.74 O ATOM 66 HG SER A 730 15.245 30.255 91.326 1.00 0.00 H ATOM 67 H SER A 730 14.629 29.686 89.881 1.00 0.00 H ATOM 68 N THR A 731 11.977 31.590 89.367 1.00 64.33 N ATOM 69 CA THR A 731 10.972 32.389 88.643 1.00 63.29 C ATOM 70 C THR A 731 9.978 31.501 87.907 1.00 62.50 C ATOM 71 O THR A 731 8.778 31.714 87.981 1.00 63.55 O ATOM 72 CB THR A 731 11.623 33.334 87.632 1.00 66.27 C ATOM 73 OG1 THR A 731 12.601 34.145 88.285 1.00 65.28 O ATOM 74 CG2 THR A 731 10.573 34.222 86.967 1.00 67.54 C ATOM 75 HG1 THR A 731 13.296 33.564 88.685 1.00 0.00 H ATOM 76 H THR A 731 12.983 31.703 89.129 1.00 0.00 H ATOM 77 N LEU A 732 10.470 30.486 87.211 1.00 62.87 N ATOM 78 CA LEU A 732 9.583 29.599 86.461 1.00 57.70 C ATOM 79 C LEU A 732 8.644 28.827 87.370 1.00 59.10 C ATOM 80 O LEU A 732 7.441 28.712 87.097 1.00 52.21 O ATOM 81 CB LEU A 732 10.380 28.649 85.593 1.00 54.12 C ATOM 82 CG LEU A 732 11.174 29.288 84.488 1.00 58.33 C ATOM 83 CD1 LEU A 732 11.747 28.226 83.540 1.00 56.06 C ATOM 84 CD2 LEU A 732 10.324 30.278 83.694 1.00 60.64 C ATOM 85 H LEU A 732 11.496 30.319 87.198 1.00 0.00 H ATOM 86 N LYS A 733 9.178 28.343 88.487 1.00 57.72 N ATOM 87 CA LYS A 733 8.401 27.591 89.443 1.00 59.84 C ATOM 88 C LYS A 733 7.305 28.416 90.050 1.00 61.70 C ATOM 89 O LYS A 733 6.204 27.913 90.343 1.00 60.36 O ATOM 90 CB LYS A 733 9.334 27.124 90.584 1.00 66.04 C ATOM 91 CG LYS A 733 8.743 26.154 91.581 1.00 72.16 C ATOM 92 CD LYS A 733 9.827 25.780 92.611 1.00 81.66 C ATOM 93 CE LYS A 733 9.791 24.322 93.068 1.00 86.72 C ATOM 94 NZ LYS A 733 8.613 24.005 93.929 1.00 87.21 N ATOM 95 HZ1 LYS A 733 8.637 24.601 94.781 1.00 0.00 H ATOM 96 HZ2 LYS A 733 7.738 24.191 93.399 1.00 0.00 H ATOM 97 HZ3 LYS A 733 8.647 23.003 94.205 1.00 0.00 H ATOM 98 H LYS A 733 10.186 28.511 88.678 1.00 0.00 H ATOM 99 N SER A 734 7.629 29.665 90.340 1.00 56.07 N ATOM 100 CA SER A 734 6.631 30.566 90.895 1.00 60.23 C ATOM 101 C SER A 734 5.528 30.804 89.839 1.00 58.99 C ATOM 102 O SER A 734 4.335 30.819 90.163 1.00 61.44 O ATOM 103 CB SER A 734 7.304 31.884 91.282 1.00 62.37 C ATOM 104 OG SER A 734 6.366 32.927 91.504 1.00 68.78 O ATOM 105 HG SER A 734 6.848 33.756 91.751 1.00 0.00 H ATOM 106 H SER A 734 8.598 30.003 90.171 1.00 0.00 H ATOM 107 N ILE A 735 5.926 31.060 88.592 1.00 58.12 N ATOM 108 CA ILE A 735 4.939 31.370 87.548 1.00 55.20 C ATOM 109 C ILE A 735 4.044 30.164 87.353 1.00 53.38 C ATOM 110 O ILE A 735 2.833 30.293 87.337 1.00 54.93 O ATOM 111 CB ILE A 735 5.610 31.774 86.215 1.00 55.69 C ATOM 112 CG1 ILE A 735 6.271 33.164 86.352 1.00 59.55 C ATOM 113 CG2 ILE A 735 4.591 31.776 85.045 1.00 52.82 C ATOM 114 CD1 ILE A 735 7.199 33.492 85.202 1.00 60.13 C ATOM 115 H ILE A 735 6.939 31.040 88.357 1.00 0.00 H ATOM 116 N LEU A 736 4.661 28.985 87.227 1.00 52.70 N ATOM 117 CA LEU A 736 3.908 27.738 86.998 1.00 51.83 C ATOM 118 C LEU A 736 2.962 27.446 88.149 1.00 47.48 C ATOM 119 O LEU A 736 1.865 26.935 87.944 1.00 48.04 O ATOM 120 CB LEU A 736 4.828 26.549 86.738 1.00 50.82 C ATOM 121 CG LEU A 736 4.134 25.251 86.299 1.00 51.85 C ATOM 122 CD1 LEU A 736 3.246 25.473 85.087 1.00 48.18 C ATOM 123 CD2 LEU A 736 5.143 24.159 85.968 1.00 49.93 C ATOM 124 H LEU A 736 5.698 28.946 87.292 1.00 0.00 H ATOM 125 N GLN A 737 3.406 27.718 89.373 1.00 50.54 N ATOM 126 CA GLN A 737 2.572 27.477 90.569 1.00 51.76 C ATOM 127 C GLN A 737 1.344 28.382 90.605 1.00 53.55 C ATOM 128 O GLN A 737 0.185 27.957 90.816 1.00 53.54 O ATOM 129 CB GLN A 737 3.477 27.693 91.794 1.00 59.47 C ATOM 130 CG GLN A 737 2.769 27.834 93.105 1.00 74.43 C ATOM 131 CD GLN A 737 1.880 26.658 93.384 1.00 89.12 C ATOM 132 OE1 GLN A 737 2.162 25.538 92.957 1.00 87.84 O ATOM 133 NE2 GLN A 737 0.807 26.896 94.131 1.00105.88 N ATOM 134 HE22 GLN A 737 0.611 27.860 94.468 1.00 0.00 H ATOM 135 HE21 GLN A 737 0.163 26.118 94.379 1.00 0.00 H ATOM 136 H GLN A 737 4.362 28.109 89.491 1.00 0.00 H ATOM 137 N GLN A 738 1.574 29.643 90.312 1.00 54.13 N ATOM 138 CA GLN A 738 0.470 30.580 90.206 1.00 53.66 C ATOM 139 C GLN A 738 -0.520 30.207 89.080 1.00 52.35 C ATOM 140 O GLN A 738 -1.715 30.288 89.258 1.00 49.22 O ATOM 141 CB GLN A 738 1.035 31.965 89.958 1.00 55.61 C ATOM 142 CG GLN A 738 1.715 32.515 91.216 1.00 59.58 C ATOM 143 CD GLN A 738 2.206 33.916 90.956 1.00 67.29 C ATOM 144 OE1 GLN A 738 1.410 34.857 90.883 1.00 73.66 O ATOM 145 NE2 GLN A 738 3.512 34.071 90.801 1.00 70.29 N ATOM 146 HE22 GLN A 738 4.145 33.249 90.871 1.00 0.00 H ATOM 147 HE21 GLN A 738 3.905 35.015 90.609 1.00 0.00 H ATOM 148 H GLN A 738 2.549 29.970 90.156 1.00 0.00 H ATOM 149 N VAL A 739 -0.014 29.807 87.925 1.00 46.98 N ATOM 150 CA VAL A 739 -0.875 29.375 86.828 1.00 46.37 C ATOM 151 C VAL A 739 -1.708 28.149 87.258 1.00 48.44 C ATOM 152 O VAL A 739 -2.938 28.154 87.111 1.00 43.23 O ATOM 153 CB VAL A 739 -0.027 29.059 85.552 1.00 45.76 C ATOM 154 CG1 VAL A 739 -0.881 28.366 84.496 1.00 48.31 C ATOM 155 CG2 VAL A 739 0.547 30.340 84.951 1.00 47.37 C ATOM 156 H VAL A 739 1.018 29.800 87.796 1.00 0.00 H ATOM 157 N LYS A 740 -1.047 27.141 87.887 1.00 50.16 N ATOM 158 CA LYS A 740 -1.762 25.927 88.347 1.00 48.86 C ATOM 159 C LYS A 740 -2.732 26.186 89.425 1.00 50.56 C ATOM 160 O LYS A 740 -3.732 25.455 89.490 1.00 53.98 O ATOM 161 CB LYS A 740 -0.845 24.825 88.794 1.00 50.88 C ATOM 162 CG LYS A 740 -0.050 24.272 87.639 1.00 54.15 C ATOM 163 CD LYS A 740 1.049 23.338 88.135 1.00 55.24 C ATOM 164 CE LYS A 740 0.519 21.971 88.384 1.00 58.16 C ATOM 165 NZ LYS A 740 1.652 21.155 88.904 1.00 68.82 N ATOM 166 HZ1 LYS A 740 2.414 21.132 88.197 1.00 0.00 H ATOM 167 HZ2 LYS A 740 2.007 21.579 89.785 1.00 0.00 H ATOM 168 HZ3 LYS A 740 1.323 20.187 89.092 1.00 0.00 H ATOM 169 H LYS A 740 -0.023 27.223 88.048 1.00 0.00 H ATOM 170 N SER A 741 -2.530 27.224 90.239 1.00 53.03 N ATOM 171 CA SER A 741 -3.548 27.599 91.257 1.00 55.04 C ATOM 172 C SER A 741 -4.719 28.448 90.780 1.00 55.03 C ATOM 173 O SER A 741 -5.637 28.732 91.536 1.00 53.08 O ATOM 174 CB SER A 741 -2.892 28.406 92.375 1.00 57.43 C ATOM 175 OG SER A 741 -1.841 27.664 92.918 1.00 62.05 O ATOM 176 HG SER A 741 -1.175 27.471 92.211 1.00 0.00 H ATOM 177 H SER A 741 -1.652 27.776 90.161 1.00 0.00 H ATOM 178 N HIS A 742 -4.632 28.970 89.573 1.00 51.52 N ATOM 179 CA HIS A 742 -5.628 29.842 89.089 1.00 51.35 C ATOM 180 C HIS A 742 -6.912 29.069 88.866 1.00 53.28 C ATOM 181 O HIS A 742 -6.886 27.929 88.436 1.00 51.18 O ATOM 182 CB HIS A 742 -5.133 30.456 87.776 1.00 55.19 C ATOM 183 CG HIS A 742 -5.939 31.624 87.311 1.00 53.27 C ATOM 184 ND1 HIS A 742 -7.161 31.469 86.695 1.00 58.19 N ATOM 185 CD2 HIS A 742 -5.654 32.947 87.252 1.00 53.45 C ATOM 186 CE1 HIS A 742 -7.628 32.648 86.325 1.00 52.59 C ATOM 187 NE2 HIS A 742 -6.739 33.566 86.676 1.00 53.17 N ATOM 188 H HIS A 742 -3.818 28.735 88.970 1.00 0.00 H ATOM 189 N GLN A 743 -8.045 29.708 89.120 1.00 55.43 N ATOM 190 CA GLN A 743 -9.344 29.059 89.014 1.00 56.09 C ATOM 191 C GLN A 743 -9.731 28.559 87.639 1.00 55.91 C ATOM 192 O GLN A 743 -10.590 27.702 87.543 1.00 57.02 O ATOM 193 CB GLN A 743 -10.438 29.962 89.599 1.00 62.73 C ATOM 194 CG GLN A 743 -10.771 31.168 88.773 1.00 77.18 C ATOM 195 CD GLN A 743 -11.783 32.079 89.494 1.00 84.51 C ATOM 196 OE1 GLN A 743 -12.123 31.856 90.654 1.00 85.54 O ATOM 197 NE2 GLN A 743 -12.256 33.095 88.804 1.00 85.03 N ATOM 198 HE22 GLN A 743 -11.943 33.249 87.824 1.00 0.00 H ATOM 199 HE21 GLN A 743 -12.943 33.744 89.238 1.00 0.00 H ATOM 200 H GLN A 743 -8.005 30.707 89.405 1.00 0.00 H ATOM 201 N SER A 744 -9.126 29.099 86.577 1.00 52.91 N ATOM 202 CA SER A 744 -9.348 28.681 85.224 1.00 52.53 C ATOM 203 C SER A 744 -8.292 27.648 84.712 1.00 48.86 C ATOM 204 O SER A 744 -8.289 27.276 83.556 1.00 45.95 O ATOM 205 CB SER A 744 -9.369 29.947 84.276 1.00 56.28 C ATOM 206 OG SER A 744 -10.512 30.759 84.596 1.00 64.50 O ATOM 207 HG SER A 744 -10.528 31.552 84.004 1.00 0.00 H ATOM 208 H SER A 744 -8.451 29.872 86.743 1.00 0.00 H ATOM 209 N ALA A 745 -7.412 27.151 85.574 1.00 51.23 N ATOM 210 CA ALA A 745 -6.422 26.142 85.149 1.00 47.91 C ATOM 211 C ALA A 745 -6.943 24.689 85.058 1.00 47.45 C ATOM 212 O ALA A 745 -6.296 23.842 84.450 1.00 42.82 O ATOM 213 CB ALA A 745 -5.238 26.179 86.067 1.00 48.39 C ATOM 214 H ALA A 745 -7.421 27.477 86.562 1.00 0.00 H ATOM 215 N TRP A 746 -8.138 24.423 85.565 1.00 46.62 N ATOM 216 CA TRP A 746 -8.585 23.014 85.775 1.00 48.16 C ATOM 217 C TRP A 746 -8.659 22.188 84.488 1.00 53.03 C ATOM 218 O TRP A 746 -8.408 21.037 84.530 1.00 51.09 O ATOM 219 CB TRP A 746 -9.921 22.981 86.538 1.00 51.44 C ATOM 220 CG TRP A 746 -11.069 23.673 85.874 1.00 51.47 C ATOM 221 CD1 TRP A 746 -11.457 24.963 86.050 1.00 50.90 C ATOM 222 CD2 TRP A 746 -11.975 23.115 84.921 1.00 54.36 C ATOM 223 NE1 TRP A 746 -12.525 25.252 85.259 1.00 51.98 N ATOM 224 CE2 TRP A 746 -12.885 24.135 84.563 1.00 59.43 C ATOM 225 CE3 TRP A 746 -12.095 21.871 84.311 1.00 57.20 C ATOM 226 CZ2 TRP A 746 -13.913 23.934 83.633 1.00 57.34 C ATOM 227 CZ3 TRP A 746 -13.094 21.681 83.381 1.00 57.20 C ATOM 228 CH2 TRP A 746 -14.013 22.677 83.083 1.00 59.45 C ATOM 229 HE1 TRP A 746 -12.993 26.178 85.195 1.00 0.00 H ATOM 230 H TRP A 746 -8.773 25.206 85.820 1.00 0.00 H ATOM 231 N PRO A 747 -8.942 22.804 83.305 1.00 50.47 N ATOM 232 CA PRO A 747 -8.962 21.949 82.120 1.00 48.01 C ATOM 233 C PRO A 747 -7.594 21.446 81.675 1.00 46.57 C ATOM 234 O PRO A 747 -7.499 20.569 80.778 1.00 47.28 O ATOM 235 CB PRO A 747 -9.491 22.889 81.033 1.00 50.56 C ATOM 236 CG PRO A 747 -10.223 23.968 81.760 1.00 50.19 C ATOM 237 CD PRO A 747 -9.420 24.162 83.009 1.00 51.14 C ATOM 238 N PHE A 748 -6.553 22.070 82.197 1.00 42.99 N ATOM 239 CA PHE A 748 -5.195 21.915 81.683 1.00 44.73 C ATOM 240 C PHE A 748 -4.266 21.133 82.650 1.00 45.84 C ATOM 241 O PHE A 748 -3.044 21.076 82.434 1.00 48.76 O ATOM 242 CB PHE A 748 -4.589 23.335 81.366 1.00 46.90 C ATOM 243 CG PHE A 748 -5.540 24.213 80.593 1.00 46.25 C ATOM 244 CD1 PHE A 748 -5.916 23.851 79.335 1.00 48.17 C ATOM 245 CD2 PHE A 748 -6.162 25.305 81.181 1.00 47.18 C ATOM 246 CE1 PHE A 748 -6.856 24.580 78.653 1.00 49.90 C ATOM 247 CE2 PHE A 748 -7.074 26.087 80.484 1.00 50.41 C ATOM 248 CZ PHE A 748 -7.430 25.722 79.208 1.00 49.44 C ATOM 249 H PHE A 748 -6.708 22.700 83.010 1.00 0.00 H ATOM 250 N MET A 749 -4.841 20.644 83.734 1.00 46.91 N ATOM 251 CA MET A 749 -4.030 20.115 84.831 1.00 51.60 C ATOM 252 C MET A 749 -3.375 18.809 84.492 1.00 49.65 C ATOM 253 O MET A 749 -2.293 18.586 84.979 1.00 53.66 O ATOM 254 CB MET A 749 -4.867 19.962 86.114 1.00 55.24 C ATOM 255 CG MET A 749 -5.279 21.323 86.638 1.00 61.74 C ATOM 256 SD MET A 749 -3.846 22.250 87.196 1.00 60.36 S ATOM 257 CE MET A 749 -3.330 21.341 88.621 1.00 62.08 C ATOM 258 H MET A 749 -5.878 20.635 83.808 1.00 0.00 H ATOM 259 N GLU A 750 -3.951 18.025 83.572 1.00 52.70 N ATOM 260 CA GLU A 750 -3.410 16.738 83.194 1.00 56.04 C ATOM 261 C GLU A 750 -3.611 16.447 81.743 1.00 54.62 C ATOM 262 O GLU A 750 -4.459 17.061 81.152 1.00 59.13 O ATOM 263 CB GLU A 750 -4.166 15.633 84.000 1.00 61.52 C ATOM 264 CG GLU A 750 -3.774 15.627 85.460 1.00 74.31 C ATOM 265 CD GLU A 750 -4.463 14.522 86.248 1.00 88.93 C ATOM 266 OE1 GLU A 750 -4.906 13.504 85.645 1.00 79.67 O ATOM 267 OE2 GLU A 750 -4.577 14.698 87.482 1.00108.67 O ATOM 268 H GLU A 750 -4.823 18.355 83.111 1.00 0.00 H ATOM 269 N PRO A 751 -2.896 15.441 81.184 1.00 57.80 N ATOM 270 CA PRO A 751 -3.068 15.083 79.791 1.00 59.08 C ATOM 271 C PRO A 751 -4.505 14.802 79.433 1.00 59.19 C ATOM 272 O PRO A 751 -5.247 14.228 80.213 1.00 63.83 O ATOM 273 CB PRO A 751 -2.193 13.810 79.639 1.00 61.21 C ATOM 274 CG PRO A 751 -1.077 14.003 80.635 1.00 60.62 C ATOM 275 CD PRO A 751 -1.745 14.712 81.803 1.00 60.02 C ATOM 276 N VAL A 752 -4.904 15.255 78.263 1.00 61.39 N ATOM 277 CA VAL A 752 -6.220 14.964 77.723 1.00 70.96 C ATOM 278 C VAL A 752 -6.344 13.449 77.496 1.00 73.20 C ATOM 279 O VAL A 752 -5.428 12.841 76.924 1.00 71.94 O ATOM 280 CB VAL A 752 -6.410 15.688 76.370 1.00 72.52 C ATOM 281 CG1 VAL A 752 -7.733 15.278 75.707 1.00 76.22 C ATOM 282 CG2 VAL A 752 -6.360 17.189 76.590 1.00 74.66 C ATOM 283 H VAL A 752 -4.253 15.843 77.705 1.00 0.00 H ATOM 284 N LYS A 753 -7.460 12.860 77.919 1.00 79.36 N ATOM 285 CA LYS A 753 -7.696 11.400 77.733 1.00 85.81 C ATOM 286 C LYS A 753 -8.439 11.132 76.413 1.00 89.77 C ATOM 287 O LYS A 753 -9.393 11.856 76.073 1.00 88.60 O ATOM 288 CB LYS A 753 -8.483 10.864 78.907 1.00 90.38 C ATOM 289 CG LYS A 753 -7.733 11.014 80.233 1.00 93.98 C ATOM 290 CD LYS A 753 -8.591 10.886 81.483 1.00 96.44 C ATOM 291 CE LYS A 753 -9.667 9.837 81.310 1.00109.38 C ATOM 292 NZ LYS A 753 -10.717 10.010 82.348 1.00119.89 N ATOM 293 HZ1 LYS A 753 -10.290 9.911 83.291 1.00 0.00 H ATOM 294 HZ2 LYS A 753 -11.141 10.955 82.256 1.00 0.00 H ATOM 295 HZ3 LYS A 753 -11.451 9.285 82.221 1.00 0.00 H ATOM 296 H LYS A 753 -8.187 13.434 78.392 1.00 0.00 H ATOM 297 N ARG A 754 -7.999 10.117 75.662 1.00 93.69 N ATOM 298 CA ARG A 754 -8.619 9.788 74.363 1.00 96.32 C ATOM 299 C ARG A 754 -10.088 9.445 74.534 1.00 95.57 C ATOM 300 O ARG A 754 -10.921 9.808 73.688 1.00 90.95 O ATOM 301 CB ARG A 754 -7.925 8.603 73.684 1.00 98.66 C ATOM 302 CG ARG A 754 -6.536 8.903 73.157 1.00 97.84 C ATOM 303 CD ARG A 754 -5.723 7.630 73.004 1.00 98.20 C ATOM 304 NE ARG A 754 -4.614 7.811 72.075 1.00 98.56 N ATOM 305 CZ ARG A 754 -3.437 8.336 72.402 1.00 93.67 C ATOM 306 NH1 ARG A 754 -2.488 8.458 71.487 1.00 92.27 N ATOM 307 NH2 ARG A 754 -3.206 8.739 73.638 1.00 90.83 N ATOM 308 HE ARG A 754 -4.753 7.509 71.090 1.00 0.00 H ATOM 309 HH12 ARG A 754 -1.568 8.869 71.744 1.00 0.00 H ATOM 310 HH11 ARG A 754 -2.663 8.143 70.511 1.00 0.00 H ATOM 311 HH22 ARG A 754 -2.283 9.149 73.887 1.00 0.00 H ATOM 312 HH21 ARG A 754 -3.947 8.647 74.362 1.00 0.00 H ATOM 313 H ARG A 754 -7.200 9.545 76.001 1.00 0.00 H ATOM 314 N THR A 755 -10.395 8.753 75.624 1.00 92.27 N ATOM 315 CA THR A 755 -11.769 8.382 75.919 1.00100.39 C ATOM 316 C THR A 755 -12.650 9.626 75.940 1.00104.52 C ATOM 317 O THR A 755 -13.759 9.589 75.438 1.00106.84 O ATOM 318 CB THR A 755 -11.896 7.626 77.249 1.00 97.99 C ATOM 319 OG1 THR A 755 -11.622 8.527 78.319 1.00105.35 O ATOM 320 CG2 THR A 755 -10.911 6.468 77.305 1.00 97.65 C ATOM 321 HG1 THR A 755 -11.702 8.047 79.181 1.00 0.00 H ATOM 322 H THR A 755 -9.638 8.471 76.279 1.00 0.00 H ATOM 323 N GLU A 756 -12.142 10.742 76.463 1.00102.29 N ATOM 324 CA GLU A 756 -12.940 11.961 76.575 1.00 93.36 C ATOM 325 C GLU A 756 -12.840 12.879 75.373 1.00 91.80 C ATOM 326 O GLU A 756 -13.539 13.885 75.318 1.00 90.12 O ATOM 327 CB GLU A 756 -12.519 12.762 77.795 1.00 90.97 C ATOM 328 CG GLU A 756 -12.519 11.974 79.086 1.00 98.41 C ATOM 329 CD GLU A 756 -12.085 12.845 80.251 1.00101.46 C ATOM 330 OE1 GLU A 756 -11.201 13.719 80.071 1.00111.45 O ATOM 331 OE2 GLU A 756 -12.641 12.677 81.352 1.00106.41 O ATOM 332 H GLU A 756 -11.158 10.745 76.798 1.00 0.00 H ATOM 333 N ALA A 757 -11.941 12.629 74.433 1.00 89.51 N ATOM 334 CA ALA A 757 -11.851 13.592 73.346 1.00 84.85 C ATOM 335 C ALA A 757 -11.600 13.039 71.985 1.00 88.81 C ATOM 336 O ALA A 757 -10.435 12.940 71.562 1.00 95.66 O ATOM 337 CB ALA A 757 -10.838 14.679 73.667 1.00 81.22 C ATOM 338 H ALA A 757 -11.331 11.788 74.470 1.00 0.00 H ATOM 339 N PRO A 758 -12.692 12.771 71.258 1.00 90.55 N ATOM 340 CA PRO A 758 -12.561 11.982 70.034 1.00 99.07 C ATOM 341 C PRO A 758 -11.613 12.598 68.992 1.00 96.23 C ATOM 342 O PRO A 758 -11.740 13.777 68.618 1.00 89.10 O ATOM 343 CB PRO A 758 -14.003 11.913 69.486 1.00101.79 C ATOM 344 CG PRO A 758 -14.893 12.338 70.616 1.00 99.84 C ATOM 345 CD PRO A 758 -14.071 13.263 71.462 1.00 91.67 C ATOM 346 N GLY A 759 -10.648 11.805 68.538 1.00101.37 N ATOM 347 CA GLY A 759 -9.706 12.286 67.556 1.00 99.00 C ATOM 348 C GLY A 759 -8.873 13.451 68.051 1.00 97.56 C ATOM 349 O GLY A 759 -8.344 14.181 67.234 1.00 88.15 O ATOM 350 H GLY A 759 -10.571 10.831 68.893 1.00 0.00 H ATOM 351 N TYR A 760 -8.725 13.615 69.371 1.00 94.67 N ATOM 352 CA TYR A 760 -7.874 14.684 69.889 1.00 87.18 C ATOM 353 C TYR A 760 -6.452 14.542 69.349 1.00 86.66 C ATOM 354 O TYR A 760 -5.910 15.484 68.762 1.00 77.81 O ATOM 355 CB TYR A 760 -7.820 14.689 71.414 1.00 84.81 C ATOM 356 CG TYR A 760 -7.066 15.883 71.990 1.00 84.70 C ATOM 357 CD1 TYR A 760 -5.721 15.789 72.356 1.00 80.06 C ATOM 358 CD2 TYR A 760 -7.721 17.098 72.192 1.00 83.53 C ATOM 359 CE1 TYR A 760 -5.043 16.882 72.895 1.00 77.49 C ATOM 360 CE2 TYR A 760 -7.058 18.194 72.733 1.00 74.96 C ATOM 361 CZ TYR A 760 -5.725 18.095 73.085 1.00 74.16 C ATOM 362 OH TYR A 760 -5.086 19.189 73.631 1.00 64.33 O ATOM 363 HH TYR A 760 -5.542 19.452 74.469 1.00 0.00 H ATOM 364 H TYR A 760 -9.217 12.979 70.030 1.00 0.00 H ATOM 365 N TYR A 761 -5.873 13.358 69.533 1.00 81.72 N ATOM 366 CA TYR A 761 -4.488 13.090 69.165 1.00 80.08 C ATOM 367 C TYR A 761 -4.311 12.929 67.651 1.00 85.62 C ATOM 368 O TYR A 761 -3.188 12.903 67.173 1.00 88.92 O ATOM 369 CB TYR A 761 -3.929 11.903 69.964 1.00 78.72 C ATOM 370 CG TYR A 761 -3.808 12.243 71.446 1.00 76.45 C ATOM 371 CD1 TYR A 761 -4.888 12.091 72.317 1.00 74.93 C ATOM 372 CD2 TYR A 761 -2.615 12.770 71.982 1.00 82.33 C ATOM 373 CE1 TYR A 761 -4.784 12.433 73.673 1.00 72.48 C ATOM 374 CE2 TYR A 761 -2.507 13.118 73.343 1.00 75.41 C ATOM 375 CZ TYR A 761 -3.597 12.983 74.174 1.00 70.63 C ATOM 376 OH TYR A 761 -3.512 13.355 75.511 1.00 68.57 O ATOM 377 HH TYR A 761 -4.382 13.190 75.954 1.00 0.00 H ATOM 378 H TYR A 761 -6.433 12.591 69.958 1.00 0.00 H ATOM 379 N GLU A 762 -5.397 12.871 66.884 1.00 87.14 N ATOM 380 CA GLU A 762 -5.254 12.974 65.424 1.00 97.95 C ATOM 381 C GLU A 762 -4.992 14.444 65.085 1.00 97.28 C ATOM 382 O GLU A 762 -4.152 14.738 64.236 1.00 99.10 O ATOM 383 CB GLU A 762 -6.474 12.433 64.626 1.00104.49 C ATOM 384 CG GLU A 762 -7.123 11.118 65.099 1.00110.60 C ATOM 385 CD GLU A 762 -6.148 10.104 65.688 1.00116.81 C ATOM 386 OE1 GLU A 762 -5.490 9.387 64.910 1.00130.35 O ATOM 387 OE2 GLU A 762 -6.051 9.997 66.930 1.00116.52 O ATOM 388 H GLU A 762 -6.337 12.754 67.313 1.00 0.00 H ATOM 389 N VAL A 763 -5.697 15.354 65.774 1.00 94.98 N ATOM 390 CA VAL A 763 -5.696 16.795 65.459 1.00 90.95 C ATOM 391 C VAL A 763 -4.538 17.540 66.149 1.00 82.61 C ATOM 392 O VAL A 763 -3.904 18.395 65.560 1.00 76.47 O ATOM 393 CB VAL A 763 -7.055 17.446 65.856 1.00 98.26 C ATOM 394 CG1 VAL A 763 -7.059 18.939 65.555 1.00100.02 C ATOM 395 CG2 VAL A 763 -8.213 16.748 65.140 1.00109.12 C ATOM 396 H VAL A 763 -6.276 15.026 66.573 1.00 0.00 H ATOM 397 N ILE A 764 -4.276 17.211 67.402 1.00 75.81 N ATOM 398 CA ILE A 764 -3.263 17.859 68.191 1.00 68.66 C ATOM 399 C ILE A 764 -2.019 16.954 68.269 1.00 68.21 C ATOM 400 O ILE A 764 -1.984 15.958 68.977 1.00 73.40 O ATOM 401 CB ILE A 764 -3.790 18.115 69.629 1.00 67.51 C ATOM 402 CG1 ILE A 764 -5.072 18.950 69.608 1.00 65.71 C ATOM 403 CG2 ILE A 764 -2.716 18.731 70.509 1.00 67.61 C ATOM 404 CD1 ILE A 764 -4.982 20.261 68.852 1.00 67.40 C ATOM 405 H ILE A 764 -4.829 16.446 67.839 1.00 0.00 H ATOM 406 N ARG A 765 -0.971 17.382 67.609 1.00 74.45 N ATOM 407 CA ARG A 765 0.261 16.621 67.486 1.00 79.44 C ATOM 408 C ARG A 765 1.299 16.895 68.588 1.00 77.71 C ATOM 409 O ARG A 765 2.158 16.059 68.838 1.00 72.60 O ATOM 410 CB ARG A 765 0.881 16.922 66.137 1.00 91.90 C ATOM 411 CG ARG A 765 0.009 16.485 64.969 1.00108.99 C ATOM 412 CD ARG A 765 0.577 16.998 63.638 1.00125.15 C ATOM 413 NE ARG A 765 1.727 16.197 63.175 1.00136.51 N ATOM 414 CZ ARG A 765 2.931 16.656 62.786 1.00138.05 C ATOM 415 NH1 ARG A 765 3.853 15.774 62.408 1.00148.63 N ATOM 416 NH2 ARG A 765 3.239 17.955 62.732 1.00131.40 N ATOM 417 HE ARG A 765 1.592 15.166 63.146 1.00 0.00 H ATOM 418 HH12 ARG A 765 4.792 16.102 62.103 1.00 0.00 H ATOM 419 HH11 ARG A 765 3.635 14.757 62.418 1.00 0.00 H ATOM 420 HH22 ARG A 765 4.187 18.252 62.423 1.00 0.00 H ATOM 421 HH21 ARG A 765 2.531 18.669 62.999 1.00 0.00 H ATOM 422 H ARG A 765 -1.024 18.314 67.150 1.00 0.00 H ATOM 423 N PHE A 766 1.230 18.058 69.240 1.00 73.00 N ATOM 424 CA PHE A 766 2.103 18.352 70.386 1.00 71.40 C ATOM 425 C PHE A 766 1.282 18.643 71.634 1.00 66.79 C ATOM 426 O PHE A 766 1.113 19.794 72.019 1.00 55.72 O ATOM 427 CB PHE A 766 3.017 19.502 70.055 1.00 76.31 C ATOM 428 CG PHE A 766 3.893 19.219 68.873 1.00 87.62 C ATOM 429 CD1 PHE A 766 5.065 18.487 69.021 1.00 92.60 C ATOM 430 CD2 PHE A 766 3.521 19.634 67.601 1.00 90.10 C ATOM 431 CE1 PHE A 766 5.868 18.201 67.924 1.00 94.43 C ATOM 432 CE2 PHE A 766 4.311 19.336 66.500 1.00 94.19 C ATOM 433 CZ PHE A 766 5.488 18.625 66.663 1.00 93.68 C ATOM 434 H PHE A 766 0.542 18.773 68.930 1.00 0.00 H ATOM 435 N PRO A 767 0.712 17.595 72.229 1.00 61.57 N ATOM 436 CA PRO A 767 -0.052 17.786 73.446 1.00 61.42 C ATOM 437 C PRO A 767 0.802 18.356 74.580 1.00 54.84 C ATOM 438 O PRO A 767 1.979 18.126 74.651 1.00 55.57 O ATOM 439 CB PRO A 767 -0.554 16.367 73.785 1.00 62.19 C ATOM 440 CG PRO A 767 0.253 15.445 72.949 1.00 63.95 C ATOM 441 CD PRO A 767 0.695 16.192 71.756 1.00 63.50 C ATOM 442 N MET A 768 0.196 19.126 75.450 1.00 52.19 N ATOM 443 CA MET A 768 0.914 19.657 76.618 1.00 50.89 C ATOM 444 C MET A 768 -0.123 19.924 77.676 1.00 48.90 C ATOM 445 O MET A 768 -1.285 20.188 77.372 1.00 51.62 O ATOM 446 CB MET A 768 1.710 20.942 76.244 1.00 50.40 C ATOM 447 CG MET A 768 2.691 21.471 77.286 1.00 48.49 C ATOM 448 SD MET A 768 3.792 20.240 78.137 1.00 52.78 S ATOM 449 CE MET A 768 4.641 19.545 76.734 1.00 52.68 C ATOM 450 H MET A 768 -0.807 19.365 75.312 1.00 0.00 H ATOM 451 N ASP A 769 0.304 19.831 78.925 1.00 46.16 N ATOM 452 CA ASP A 769 -0.511 20.046 80.075 1.00 43.56 C ATOM 453 C ASP A 769 0.382 20.445 81.237 1.00 40.45 C ATOM 454 O ASP A 769 1.601 20.377 81.186 1.00 44.78 O ATOM 455 CB ASP A 769 -1.296 18.802 80.434 1.00 52.14 C ATOM 456 CG ASP A 769 -0.368 17.659 80.869 1.00 52.30 C ATOM 457 OD1 ASP A 769 -0.028 17.636 82.060 1.00 53.66 O ATOM 458 OD2 ASP A 769 0.119 16.944 79.998 1.00 55.62 O ATOM 459 H ASP A 769 1.303 19.584 79.078 1.00 0.00 H ATOM 460 N LEU A 770 -0.230 20.897 82.290 1.00 39.45 N ATOM 461 CA LEU A 770 0.548 21.548 83.347 1.00 43.64 C ATOM 462 C LEU A 770 1.244 20.529 84.304 1.00 44.82 C ATOM 463 O LEU A 770 2.230 20.883 84.961 1.00 42.78 O ATOM 464 CB LEU A 770 -0.399 22.431 84.200 1.00 44.35 C ATOM 465 CG LEU A 770 -1.057 23.599 83.439 1.00 44.67 C ATOM 466 CD1 LEU A 770 -2.092 24.337 84.295 1.00 44.24 C ATOM 467 CD2 LEU A 770 -0.010 24.547 82.939 1.00 42.21 C ATOM 468 H LEU A 770 -1.261 20.798 82.382 1.00 0.00 H ATOM 469 N LYS A 771 0.694 19.338 84.402 1.00 45.47 N ATOM 470 CA LYS A 771 1.407 18.237 85.111 1.00 46.12 C ATOM 471 C LYS A 771 2.684 17.854 84.362 1.00 47.44 C ATOM 472 O LYS A 771 3.767 17.776 84.920 1.00 50.14 O ATOM 473 CB LYS A 771 0.514 17.039 85.207 1.00 51.83 C ATOM 474 CG LYS A 771 1.210 15.870 85.955 1.00 59.71 C ATOM 475 CD LYS A 771 0.437 14.583 85.835 1.00 71.14 C ATOM 476 CE LYS A 771 -0.014 14.092 87.185 1.00 87.64 C ATOM 477 NZ LYS A 771 -0.555 12.718 86.996 1.00100.76 N ATOM 478 HZ1 LYS A 771 -1.355 12.750 86.332 1.00 0.00 H ATOM 479 HZ2 LYS A 771 0.191 12.103 86.613 1.00 0.00 H ATOM 480 HZ3 LYS A 771 -0.878 12.345 87.912 1.00 0.00 H ATOM 481 H LYS A 771 -0.242 19.164 83.983 1.00 0.00 H ATOM 482 N THR A 772 2.608 17.670 83.050 1.00 48.40 N ATOM 483 CA THR A 772 3.852 17.459 82.276 1.00 43.78 C ATOM 484 C THR A 772 4.821 18.614 82.447 1.00 45.23 C ATOM 485 O THR A 772 6.002 18.402 82.560 1.00 45.92 O ATOM 486 CB THR A 772 3.492 17.324 80.836 1.00 46.31 C ATOM 487 OG1 THR A 772 2.550 16.287 80.764 1.00 46.71 O ATOM 488 CG2 THR A 772 4.661 17.082 79.947 1.00 51.32 C ATOM 489 HG1 THR A 772 1.758 16.524 81.309 1.00 0.00 H ATOM 490 H THR A 772 1.685 17.674 82.571 1.00 0.00 H ATOM 491 N MET A 773 4.345 19.861 82.424 1.00 47.73 N ATOM 492 CA MET A 773 5.253 20.998 82.611 1.00 45.27 C ATOM 493 C MET A 773 5.911 20.990 83.967 1.00 44.28 C ATOM 494 O MET A 773 7.075 21.360 84.088 1.00 47.59 O ATOM 495 CB MET A 773 4.555 22.361 82.417 1.00 42.56 C ATOM 496 CG MET A 773 4.126 22.618 80.989 1.00 46.67 C ATOM 497 SD MET A 773 3.667 24.345 80.613 1.00 47.35 S ATOM 498 CE MET A 773 5.149 25.228 81.016 1.00 45.14 C ATOM 499 H MET A 773 3.329 20.027 82.273 1.00 0.00 H ATOM 500 N SER A 774 5.152 20.660 84.987 1.00 45.39 N ATOM 501 CA SER A 774 5.706 20.506 86.337 1.00 49.83 C ATOM 502 C SER A 774 6.851 19.478 86.397 1.00 51.40 C ATOM 503 O SER A 774 7.897 19.754 87.000 1.00 51.20 O ATOM 504 CB SER A 774 4.625 20.075 87.322 1.00 51.16 C ATOM 505 OG SER A 774 3.727 21.143 87.503 1.00 53.79 O ATOM 506 HG SER A 774 3.316 21.378 86.634 1.00 0.00 H ATOM 507 H SER A 774 4.135 20.504 84.834 1.00 0.00 H ATOM 508 N GLU A 775 6.654 18.357 85.716 1.00 51.05 N ATOM 509 CA GLU A 775 7.698 17.350 85.607 1.00 59.11 C ATOM 510 C GLU A 775 8.936 17.852 84.873 1.00 56.63 C ATOM 511 O GLU A 775 10.056 17.686 85.330 1.00 51.65 O ATOM 512 CB GLU A 775 7.175 16.124 84.871 1.00 57.47 C ATOM 513 CG GLU A 775 6.031 15.426 85.548 1.00 74.07 C ATOM 514 CD GLU A 775 5.628 14.160 84.817 1.00 84.46 C ATOM 515 OE1 GLU A 775 4.620 13.528 85.284 1.00 79.69 O ATOM 516 OE2 GLU A 775 6.358 13.795 83.830 1.00 78.18 O ATOM 517 H GLU A 775 5.737 18.195 85.252 1.00 0.00 H ATOM 518 N ARG A 776 8.714 18.429 83.702 1.00 54.41 N ATOM 519 CA ARG A 776 9.778 18.976 82.940 1.00 51.89 C ATOM 520 C ARG A 776 10.577 19.960 83.757 1.00 51.19 C ATOM 521 O ARG A 776 11.808 20.006 83.689 1.00 51.78 O ATOM 522 CB ARG A 776 9.220 19.666 81.692 1.00 52.95 C ATOM 523 CG ARG A 776 8.771 18.653 80.645 1.00 51.93 C ATOM 524 CD ARG A 776 8.328 19.337 79.347 1.00 51.48 C ATOM 525 NE ARG A 776 8.102 18.337 78.305 1.00 51.59 N ATOM 526 CZ ARG A 776 8.053 18.567 77.000 1.00 53.96 C ATOM 527 NH1 ARG A 776 8.169 19.795 76.515 1.00 51.18 N ATOM 528 NH2 ARG A 776 7.836 17.563 76.181 1.00 52.26 N ATOM 529 HE ARG A 776 7.967 17.354 78.616 1.00 0.00 H ATOM 530 HH12 ARG A 776 8.128 19.955 75.488 1.00 0.00 H ATOM 531 HH11 ARG A 776 8.301 20.599 77.161 1.00 0.00 H ATOM 532 HH22 ARG A 776 7.795 17.728 75.155 1.00 0.00 H ATOM 533 HH21 ARG A 776 7.705 16.603 76.559 1.00 0.00 H ATOM 534 H ARG A 776 7.743 18.482 83.335 1.00 0.00 H ATOM 535 N LEU A 777 9.883 20.802 84.486 1.00 48.55 N ATOM 536 CA LEU A 777 10.562 21.810 85.268 1.00 51.56 C ATOM 537 C LEU A 777 11.457 21.178 86.389 1.00 54.43 C ATOM 538 O LEU A 777 12.622 21.540 86.573 1.00 56.16 O ATOM 539 CB LEU A 777 9.529 22.716 85.912 1.00 50.92 C ATOM 540 CG LEU A 777 10.063 23.668 86.971 1.00 51.71 C ATOM 541 CD1 LEU A 777 10.825 24.758 86.264 1.00 56.87 C ATOM 542 CD2 LEU A 777 8.937 24.264 87.783 1.00 59.23 C ATOM 543 H LEU A 777 8.845 20.744 84.501 1.00 0.00 H ATOM 544 N LYS A 778 10.851 20.263 87.132 1.00 50.69 N ATOM 545 CA LYS A 778 11.537 19.446 88.142 1.00 53.91 C ATOM 546 C LYS A 778 12.712 18.725 87.500 1.00 53.17 C ATOM 547 O LYS A 778 13.793 18.676 88.067 1.00 56.98 O ATOM 548 CB LYS A 778 10.518 18.470 88.704 1.00 53.83 C ATOM 549 CG LYS A 778 10.908 17.414 89.709 1.00 62.08 C ATOM 550 CD LYS A 778 11.267 18.096 90.993 1.00 66.60 C ATOM 551 CE LYS A 778 11.476 17.094 92.098 1.00 75.34 C ATOM 552 NZ LYS A 778 11.971 17.784 93.320 1.00 82.49 N ATOM 553 HZ1 LYS A 778 12.873 18.256 93.109 1.00 0.00 H ATOM 554 HZ2 LYS A 778 11.272 18.491 93.625 1.00 0.00 H ATOM 555 HZ3 LYS A 778 12.113 17.086 94.078 1.00 0.00 H ATOM 556 H LYS A 778 9.831 20.115 86.992 1.00 0.00 H ATOM 557 N ASN A 779 12.518 18.234 86.287 1.00 53.19 N ATOM 558 CA ASN A 779 13.605 17.572 85.548 1.00 52.34 C ATOM 559 C ASN A 779 14.679 18.483 84.986 1.00 51.51 C ATOM 560 O ASN A 779 15.562 18.017 84.298 1.00 54.01 O ATOM 561 CB ASN A 779 13.021 16.743 84.417 1.00 53.65 C ATOM 562 CG ASN A 779 12.225 15.564 84.885 1.00 53.46 C ATOM 563 OD1 ASN A 779 12.279 15.156 86.050 1.00 53.19 O ATOM 564 ND2 ASN A 779 11.500 14.955 83.948 1.00 55.19 N ATOM 565 HD22 ASN A 779 11.482 15.331 82.979 1.00 0.00 H ATOM 566 HD21 ASN A 779 10.952 14.103 84.186 1.00 0.00 H ATOM 567 H ASN A 779 11.579 18.317 85.847 1.00 0.00 H ATOM 568 N ARG A 780 14.599 19.790 85.238 1.00 55.53 N ATOM 569 CA ARG A 780 15.567 20.776 84.752 1.00 55.60 C ATOM 570 C ARG A 780 15.623 20.861 83.230 1.00 57.08 C ATOM 571 O ARG A 780 16.644 21.212 82.661 1.00 57.16 O ATOM 572 CB ARG A 780 16.957 20.544 85.308 1.00 62.12 C ATOM 573 CG ARG A 780 16.995 20.628 86.821 1.00 66.01 C ATOM 574 CD ARG A 780 16.865 22.070 87.232 1.00 65.56 C ATOM 575 NE ARG A 780 16.769 22.198 88.672 1.00 67.41 N ATOM 576 CZ ARG A 780 17.210 23.257 89.351 1.00 69.44 C ATOM 577 NH1 ARG A 780 17.741 24.294 88.735 1.00 72.80 N ATOM 578 NH2 ARG A 780 17.121 23.280 90.665 1.00 75.78 N ATOM 579 HE ARG A 780 16.331 21.420 89.206 1.00 0.00 H ATOM 580 HH12 ARG A 780 18.078 25.109 89.286 1.00 0.00 H ATOM 581 HH11 ARG A 780 17.823 24.297 87.698 1.00 0.00 H ATOM 582 HH22 ARG A 780 17.465 24.106 91.195 1.00 0.00 H ATOM 583 HH21 ARG A 780 16.707 22.472 91.172 1.00 0.00 H ATOM 584 H ARG A 780 13.802 20.129 85.814 1.00 0.00 H ATOM 585 N TYR A 781 14.486 20.630 82.588 1.00 53.70 N ATOM 586 CA TYR A 781 14.344 20.793 81.153 1.00 57.53 C ATOM 587 C TYR A 781 14.303 22.270 80.744 1.00 56.92 C ATOM 588 O TYR A 781 14.835 22.663 79.698 1.00 60.12 O ATOM 589 CB TYR A 781 13.070 20.096 80.708 1.00 55.93 C ATOM 590 CG TYR A 781 12.739 20.320 79.263 1.00 56.37 C ATOM 591 CD1 TYR A 781 13.482 19.728 78.268 1.00 57.61 C ATOM 592 CD2 TYR A 781 11.665 21.113 78.912 1.00 56.15 C ATOM 593 CE1 TYR A 781 13.189 19.951 76.935 1.00 64.57 C ATOM 594 CE2 TYR A 781 11.353 21.367 77.585 1.00 58.82 C ATOM 595 CZ TYR A 781 12.120 20.773 76.606 1.00 61.50 C ATOM 596 OH TYR A 781 11.781 21.007 75.335 1.00 67.61 O ATOM 597 HH TYR A 781 12.405 20.527 74.735 1.00 0.00 H ATOM 598 H TYR A 781 13.660 20.318 83.137 1.00 0.00 H ATOM 599 N TYR A 782 13.724 23.114 81.595 1.00 54.84 N ATOM 600 CA TYR A 782 13.514 24.502 81.209 1.00 54.50 C ATOM 601 C TYR A 782 14.780 25.337 81.455 1.00 57.91 C ATOM 602 O TYR A 782 14.833 26.171 82.366 1.00 58.92 O ATOM 603 CB TYR A 782 12.284 25.106 81.902 1.00 51.14 C ATOM 604 CG TYR A 782 10.998 24.438 81.452 1.00 52.63 C ATOM 605 CD1 TYR A 782 10.677 24.346 80.116 1.00 51.49 C ATOM 606 CD2 TYR A 782 10.131 23.866 82.372 1.00 50.38 C ATOM 607 CE1 TYR A 782 9.506 23.758 79.711 1.00 53.58 C ATOM 608 CE2 TYR A 782 8.974 23.258 81.967 1.00 47.97 C ATOM 609 CZ TYR A 782 8.677 23.196 80.650 1.00 45.97 C ATOM 610 OH TYR A 782 7.514 22.580 80.220 1.00 48.04 O ATOM 611 HH TYR A 782 7.462 22.629 79.233 1.00 0.00 H ATOM 612 H TYR A 782 13.422 22.783 82.534 1.00 0.00 H ATOM 613 N VAL A 783 15.781 25.115 80.607 1.00 61.11 N ATOM 614 CA VAL A 783 17.038 25.853 80.697 1.00 66.95 C ATOM 615 C VAL A 783 16.959 27.291 80.127 1.00 69.10 C ATOM 616 O VAL A 783 17.899 28.046 80.278 1.00 72.10 O ATOM 617 CB VAL A 783 18.214 25.079 80.069 1.00 67.26 C ATOM 618 CG1 VAL A 783 18.415 23.761 80.821 1.00 70.32 C ATOM 619 CG2 VAL A 783 18.024 24.830 78.578 1.00 67.26 C ATOM 620 H VAL A 783 15.665 24.399 79.862 1.00 0.00 H ATOM 621 N SER A 784 15.827 27.665 79.523 1.00 71.56 N ATOM 622 CA SER A 784 15.603 29.011 79.016 1.00 68.73 C ATOM 623 C SER A 784 14.162 29.353 79.147 1.00 69.74 C ATOM 624 O SER A 784 13.272 28.499 79.202 1.00 67.56 O ATOM 625 CB SER A 784 15.973 29.147 77.557 1.00 65.91 C ATOM 626 OG SER A 784 15.120 28.384 76.734 1.00 67.71 O ATOM 627 HG SER A 784 14.187 28.693 76.851 1.00 0.00 H ATOM 628 H SER A 784 15.070 26.961 79.410 1.00 0.00 H ATOM 629 N LYS A 785 13.934 30.643 79.173 1.00 69.80 N ATOM 630 CA LYS A 785 12.614 31.176 79.235 1.00 68.83 C ATOM 631 C LYS A 785 11.812 30.754 77.996 1.00 64.22 C ATOM 632 O LYS A 785 10.642 30.389 78.104 1.00 58.75 O ATOM 633 CB LYS A 785 12.728 32.673 79.439 1.00 80.18 C ATOM 634 CG LYS A 785 13.546 33.441 78.397 1.00 83.61 C ATOM 635 CD LYS A 785 13.694 34.918 78.773 1.00 91.27 C ATOM 636 CE LYS A 785 14.295 35.735 77.633 1.00 88.84 C ATOM 637 NZ LYS A 785 14.051 37.190 77.781 1.00 95.29 N ATOM 638 HZ1 LYS A 785 13.027 37.369 77.796 1.00 0.00 H ATOM 639 HZ2 LYS A 785 14.475 37.523 78.670 1.00 0.00 H ATOM 640 HZ3 LYS A 785 14.481 37.696 76.980 1.00 0.00 H ATOM 641 H LYS A 785 14.741 31.298 79.148 1.00 0.00 H ATOM 642 N LYS A 786 12.450 30.743 76.837 1.00 62.56 N ATOM 643 CA LYS A 786 11.783 30.368 75.607 1.00 63.91 C ATOM 644 C LYS A 786 11.201 28.934 75.609 1.00 55.03 C ATOM 645 O LYS A 786 10.084 28.705 75.134 1.00 56.10 O ATOM 646 CB LYS A 786 12.790 30.593 74.479 1.00 63.97 C ATOM 647 CG LYS A 786 12.564 29.915 73.147 1.00 69.81 C ATOM 648 CD LYS A 786 13.677 30.301 72.166 1.00 72.80 C ATOM 649 CE LYS A 786 13.253 29.976 70.738 1.00 79.66 C ATOM 650 NZ LYS A 786 14.403 29.542 69.873 1.00 89.60 N ATOM 651 HZ1 LYS A 786 15.109 30.304 69.829 1.00 0.00 H ATOM 652 HZ2 LYS A 786 14.837 28.688 70.278 1.00 0.00 H ATOM 653 HZ3 LYS A 786 14.056 29.335 68.915 1.00 0.00 H ATOM 654 H LYS A 786 13.455 31.010 76.808 1.00 0.00 H ATOM 655 N LEU A 787 11.927 27.978 76.187 1.00 57.13 N ATOM 656 CA LEU A 787 11.384 26.595 76.281 1.00 53.43 C ATOM 657 C LEU A 787 10.140 26.590 77.144 1.00 51.15 C ATOM 658 O LEU A 787 9.121 26.012 76.779 1.00 49.48 O ATOM 659 CB LEU A 787 12.419 25.607 76.846 1.00 58.63 C ATOM 660 CG LEU A 787 13.556 25.271 75.878 1.00 62.30 C ATOM 661 CD1 LEU A 787 14.710 24.532 76.552 1.00 66.18 C ATOM 662 CD2 LEU A 787 13.016 24.468 74.699 1.00 62.58 C ATOM 663 H LEU A 787 12.869 28.197 76.571 1.00 0.00 H ATOM 664 N PHE A 788 10.165 27.305 78.251 1.00 52.52 N ATOM 665 CA PHE A 788 8.995 27.360 79.123 1.00 49.60 C ATOM 666 C PHE A 788 7.785 28.026 78.473 1.00 52.44 C ATOM 667 O PHE A 788 6.658 27.496 78.507 1.00 51.08 O ATOM 668 CB PHE A 788 9.386 28.094 80.383 1.00 51.45 C ATOM 669 CG PHE A 788 8.311 28.155 81.426 1.00 49.92 C ATOM 670 CD1 PHE A 788 8.150 27.108 82.334 1.00 51.53 C ATOM 671 CD2 PHE A 788 7.476 29.246 81.527 1.00 51.37 C ATOM 672 CE1 PHE A 788 7.180 27.168 83.314 1.00 51.38 C ATOM 673 CE2 PHE A 788 6.528 29.309 82.532 1.00 49.91 C ATOM 674 CZ PHE A 788 6.371 28.268 83.414 1.00 49.02 C ATOM 675 H PHE A 788 11.024 27.834 78.505 1.00 0.00 H ATOM 676 N MET A 789 8.018 29.188 77.849 1.00 55.40 N ATOM 677 CA MET A 789 6.952 29.931 77.170 1.00 51.66 C ATOM 678 C MET A 789 6.360 29.166 76.043 1.00 46.38 C ATOM 679 O MET A 789 5.168 29.203 75.879 1.00 45.16 O ATOM 680 CB MET A 789 7.427 31.300 76.628 1.00 60.54 C ATOM 681 CG MET A 789 6.933 32.438 77.515 1.00 70.76 C ATOM 682 SD MET A 789 8.068 33.750 78.023 1.00 80.34 S ATOM 683 CE MET A 789 9.597 33.548 77.113 1.00 79.71 C ATOM 684 H MET A 789 8.983 29.575 77.846 1.00 0.00 H ATOM 685 N ALA A 790 7.160 28.419 75.296 1.00 43.87 N ATOM 686 CA ALA A 790 6.605 27.608 74.226 1.00 45.80 C ATOM 687 C ALA A 790 5.688 26.513 74.712 1.00 48.85 C ATOM 688 O ALA A 790 4.611 26.270 74.134 1.00 50.00 O ATOM 689 CB ALA A 790 7.716 27.024 73.355 1.00 49.28 C ATOM 690 H ALA A 790 8.184 28.413 75.476 1.00 0.00 H ATOM 691 N ASP A 791 6.064 25.834 75.804 1.00 50.77 N ATOM 692 CA ASP A 791 5.198 24.784 76.357 1.00 45.13 C ATOM 693 C ASP A 791 3.894 25.375 76.841 1.00 42.68 C ATOM 694 O ASP A 791 2.811 24.881 76.567 1.00 42.38 O ATOM 695 CB ASP A 791 5.934 23.991 77.491 1.00 48.24 C ATOM 696 CG ASP A 791 6.908 22.936 76.956 1.00 52.58 C ATOM 697 OD1 ASP A 791 6.945 22.750 75.698 1.00 53.38 O ATOM 698 OD2 ASP A 791 7.607 22.251 77.783 1.00 53.21 O ATOM 699 H ASP A 791 6.972 26.051 76.262 1.00 0.00 H ATOM 700 N LEU A 792 3.964 26.407 77.625 1.00 42.81 N ATOM 701 CA LEU A 792 2.728 26.899 78.205 1.00 45.73 C ATOM 702 C LEU A 792 1.836 27.533 77.137 1.00 45.23 C ATOM 703 O LEU A 792 0.615 27.340 77.127 1.00 43.07 O ATOM 704 CB LEU A 792 3.050 27.917 79.267 1.00 46.32 C ATOM 705 CG LEU A 792 1.944 28.403 80.188 1.00 53.59 C ATOM 706 CD1 LEU A 792 0.874 27.364 80.483 1.00 55.14 C ATOM 707 CD2 LEU A 792 2.595 28.816 81.502 1.00 58.69 C ATOM 708 H LEU A 792 4.875 26.866 77.831 1.00 0.00 H ATOM 709 N GLN A 793 2.450 28.164 76.126 1.00 48.55 N ATOM 710 CA GLN A 793 1.628 28.714 75.040 1.00 49.59 C ATOM 711 C GLN A 793 0.907 27.615 74.270 1.00 51.75 C ATOM 712 O GLN A 793 -0.283 27.733 73.929 1.00 47.31 O ATOM 713 CB GLN A 793 2.475 29.581 74.085 1.00 53.03 C ATOM 714 CG GLN A 793 1.645 30.271 73.037 1.00 63.93 C ATOM 715 CD GLN A 793 0.723 31.324 73.622 1.00 71.18 C ATOM 716 OE1 GLN A 793 1.204 32.354 74.068 1.00 88.62 O ATOM 717 NE2 GLN A 793 -0.613 31.102 73.553 1.00 65.15 N ATOM 718 HE22 GLN A 793 -0.972 30.207 73.164 1.00 0.00 H ATOM 719 HE21 GLN A 793 -1.279 31.827 73.889 1.00 0.00 H ATOM 720 H GLN A 793 3.485 28.262 76.111 1.00 0.00 H ATOM 721 N ARG A 794 1.613 26.514 74.060 1.00 50.79 N ATOM 722 CA ARG A 794 1.034 25.324 73.442 1.00 52.31 C ATOM 723 C ARG A 794 -0.211 24.797 74.180 1.00 50.62 C ATOM 724 O ARG A 794 -1.173 24.332 73.574 1.00 50.81 O ATOM 725 CB ARG A 794 2.114 24.246 73.406 1.00 53.01 C ATOM 726 CG ARG A 794 1.705 22.961 72.772 1.00 56.22 C ATOM 727 CD ARG A 794 1.486 23.171 71.277 1.00 55.58 C ATOM 728 NE ARG A 794 2.759 23.215 70.547 1.00 55.31 N ATOM 729 CZ ARG A 794 2.879 23.377 69.224 1.00 55.23 C ATOM 730 NH1 ARG A 794 1.812 23.508 68.478 1.00 52.62 N ATOM 731 NH2 ARG A 794 4.074 23.372 68.657 1.00 54.16 N ATOM 732 HE ARG A 794 3.634 23.113 71.100 1.00 0.00 H ATOM 733 HH12 ARG A 794 1.908 23.634 67.450 1.00 0.00 H ATOM 734 HH11 ARG A 794 0.868 23.486 68.913 1.00 0.00 H ATOM 735 HH22 ARG A 794 4.162 23.498 67.628 1.00 0.00 H ATOM 736 HH21 ARG A 794 4.926 23.242 69.240 1.00 0.00 H ATOM 737 H ARG A 794 2.613 26.496 74.345 1.00 0.00 H ATOM 738 N VAL A 795 -0.212 24.876 75.498 1.00 47.45 N ATOM 739 CA VAL A 795 -1.379 24.395 76.235 1.00 46.82 C ATOM 740 C VAL A 795 -2.618 25.184 75.757 1.00 51.02 C ATOM 741 O VAL A 795 -3.726 24.637 75.515 1.00 47.08 O ATOM 742 CB VAL A 795 -1.179 24.641 77.726 1.00 45.63 C ATOM 743 CG1 VAL A 795 -2.459 24.371 78.502 1.00 48.65 C ATOM 744 CG2 VAL A 795 -0.018 23.831 78.288 1.00 47.14 C ATOM 745 H VAL A 795 0.605 25.274 76.004 1.00 0.00 H ATOM 746 N PHE A 796 -2.433 26.497 75.614 1.00 50.87 N ATOM 747 CA PHE A 796 -3.576 27.349 75.206 1.00 52.31 C ATOM 748 C PHE A 796 -3.952 27.173 73.793 1.00 49.14 C ATOM 749 O PHE A 796 -5.133 27.063 73.499 1.00 52.21 O ATOM 750 CB PHE A 796 -3.327 28.813 75.475 1.00 54.29 C ATOM 751 CG PHE A 796 -2.904 29.086 76.877 1.00 47.07 C ATOM 752 CD1 PHE A 796 -3.550 28.519 77.882 1.00 54.87 C ATOM 753 CD2 PHE A 796 -1.805 29.866 77.122 1.00 50.47 C ATOM 754 CE1 PHE A 796 -3.137 28.708 79.144 1.00 53.97 C ATOM 755 CE2 PHE A 796 -1.393 30.079 78.384 1.00 49.33 C ATOM 756 CZ PHE A 796 -2.071 29.500 79.398 1.00 50.48 C ATOM 757 H PHE A 796 -1.498 26.918 75.787 1.00 0.00 H ATOM 758 N THR A 797 -2.981 27.058 72.922 1.00 50.19 N ATOM 759 CA THR A 797 -3.304 27.000 71.524 1.00 55.20 C ATOM 760 C THR A 797 -3.898 25.646 71.146 1.00 57.49 C ATOM 761 O THR A 797 -4.757 25.557 70.245 1.00 56.13 O ATOM 762 CB THR A 797 -2.074 27.376 70.631 1.00 57.87 C ATOM 763 OG1 THR A 797 -1.013 26.401 70.766 1.00 64.08 O ATOM 764 CG2 THR A 797 -1.564 28.760 71.036 1.00 57.99 C ATOM 765 HG1 THR A 797 -1.346 25.511 70.488 1.00 0.00 H ATOM 766 H THR A 797 -1.991 27.009 73.238 1.00 0.00 H ATOM 767 N ASN A 798 -3.451 24.573 71.802 1.00 53.97 N ATOM 768 CA ASN A 798 -4.133 23.284 71.604 1.00 49.70 C ATOM 769 C ASN A 798 -5.593 23.379 71.982 1.00 52.95 C ATOM 770 O ASN A 798 -6.528 22.986 71.217 1.00 54.49 O ATOM 771 CB ASN A 798 -3.475 22.204 72.453 1.00 51.51 C ATOM 772 CG ASN A 798 -2.101 21.834 71.963 1.00 57.08 C ATOM 773 OD1 ASN A 798 -1.705 22.213 70.868 1.00 55.06 O ATOM 774 ND2 ASN A 798 -1.357 21.088 72.782 1.00 57.69 N ATOM 775 HD22 ASN A 798 -1.737 20.790 73.703 1.00 0.00 H ATOM 776 HD21 ASN A 798 -0.397 20.805 72.499 1.00 0.00 H ATOM 777 H ASN A 798 -2.635 24.647 72.442 1.00 0.00 H ATOM 778 N CYS A 799 -5.829 23.912 73.167 1.00 44.83 N ATOM 779 CA CYS A 799 -7.212 24.031 73.617 1.00 48.42 C ATOM 780 C CYS A 799 -8.071 24.827 72.585 1.00 52.67 C ATOM 781 O CYS A 799 -9.204 24.429 72.235 1.00 49.38 O ATOM 782 CB CYS A 799 -7.219 24.721 74.945 1.00 43.04 C ATOM 783 SG CYS A 799 -8.859 24.872 75.558 1.00 53.72 S ATOM 784 H CYS A 799 -5.045 24.240 73.767 1.00 0.00 H ATOM 785 N LYS A 800 -7.515 25.933 72.086 1.00 51.63 N ATOM 786 CA LYS A 800 -8.315 26.850 71.251 1.00 52.23 C ATOM 787 C LYS A 800 -8.573 26.292 69.898 1.00 59.63 C ATOM 788 O LYS A 800 -9.620 26.581 69.276 1.00 62.41 O ATOM 789 CB LYS A 800 -7.637 28.229 71.146 1.00 49.20 C ATOM 790 CG LYS A 800 -7.868 28.916 72.477 1.00 48.49 C ATOM 791 CD LYS A 800 -7.492 30.375 72.568 1.00 52.16 C ATOM 792 CE LYS A 800 -6.029 30.619 72.718 1.00 55.62 C ATOM 793 NZ LYS A 800 -5.840 32.064 72.940 1.00 52.26 N ATOM 794 HZ1 LYS A 800 -6.215 32.591 72.125 1.00 0.00 H ATOM 795 HZ2 LYS A 800 -6.347 32.350 73.802 1.00 0.00 H ATOM 796 HZ3 LYS A 800 -4.826 32.267 73.049 1.00 0.00 H ATOM 797 H LYS A 800 -6.517 26.149 72.286 1.00 0.00 H ATOM 798 N GLU A 801 -7.614 25.528 69.408 1.00 56.37 N ATOM 799 CA GLU A 801 -7.844 24.871 68.171 1.00 59.64 C ATOM 800 C GLU A 801 -8.963 23.805 68.274 1.00 63.69 C ATOM 801 O GLU A 801 -9.820 23.675 67.368 1.00 62.26 O ATOM 802 CB GLU A 801 -6.557 24.197 67.746 1.00 60.83 C ATOM 803 CG GLU A 801 -6.802 23.291 66.540 1.00 66.27 C ATOM 804 CD GLU A 801 -5.570 23.087 65.668 1.00 66.48 C ATOM 805 OE1 GLU A 801 -5.753 22.693 64.454 1.00 66.46 O ATOM 806 OE2 GLU A 801 -4.452 23.361 66.218 1.00 64.06 O ATOM 807 H GLU A 801 -6.714 25.411 69.915 1.00 0.00 H ATOM 808 N TYR A 802 -8.910 23.004 69.340 1.00 64.27 N ATOM 809 CA TYR A 802 -9.713 21.809 69.393 1.00 59.59 C ATOM 810 C TYR A 802 -11.125 22.131 69.809 1.00 63.76 C ATOM 811 O TYR A 802 -12.054 21.616 69.227 1.00 62.04 O ATOM 812 CB TYR A 802 -9.130 20.810 70.359 1.00 67.25 C ATOM 813 CG TYR A 802 -9.905 19.521 70.387 1.00 70.59 C ATOM 814 CD1 TYR A 802 -9.786 18.599 69.329 1.00 78.13 C ATOM 815 CD2 TYR A 802 -10.761 19.203 71.466 1.00 73.42 C ATOM 816 CE1 TYR A 802 -10.501 17.397 69.341 1.00 72.49 C ATOM 817 CE2 TYR A 802 -11.468 18.005 71.483 1.00 72.65 C ATOM 818 CZ TYR A 802 -11.346 17.120 70.409 1.00 77.16 C ATOM 819 OH TYR A 802 -12.040 15.931 70.442 1.00 78.89 O ATOM 820 HH TYR A 802 -11.852 15.417 69.617 1.00 0.00 H ATOM 821 H TYR A 802 -8.286 23.244 70.137 1.00 0.00 H ATOM 822 N ASN A 803 -11.300 22.994 70.802 1.00 60.92 N ATOM 823 CA ASN A 803 -12.643 23.265 71.335 1.00 63.80 C ATOM 824 C ASN A 803 -13.430 24.409 70.607 1.00 67.20 C ATOM 825 O ASN A 803 -12.809 25.314 70.082 1.00 58.60 O ATOM 826 CB ASN A 803 -12.475 23.598 72.791 1.00 60.95 C ATOM 827 CG ASN A 803 -11.875 22.416 73.562 1.00 60.29 C ATOM 828 OD1 ASN A 803 -12.529 21.451 73.742 1.00 59.48 O ATOM 829 ND2 ASN A 803 -10.601 22.479 73.905 1.00 61.67 N ATOM 830 HD22 ASN A 803 -10.058 23.348 73.730 1.00 0.00 H ATOM 831 HD21 ASN A 803 -10.141 21.659 74.350 1.00 0.00 H ATOM 832 H ASN A 803 -10.477 23.484 71.208 1.00 0.00 H ATOM 833 N PRO A 804 -14.785 24.347 70.612 1.00 69.26 N ATOM 834 CA PRO A 804 -15.638 25.439 70.120 1.00 70.45 C ATOM 835 C PRO A 804 -15.411 26.744 70.890 1.00 69.01 C ATOM 836 O PRO A 804 -15.174 26.720 72.127 1.00 58.38 O ATOM 837 CB PRO A 804 -17.055 24.942 70.360 1.00 73.45 C ATOM 838 CG PRO A 804 -16.960 23.489 70.714 1.00 71.80 C ATOM 839 CD PRO A 804 -15.571 23.232 71.175 1.00 69.61 C ATOM 840 N PRO A 805 -15.487 27.875 70.165 1.00 62.03 N ATOM 841 CA PRO A 805 -15.007 29.173 70.638 1.00 61.01 C ATOM 842 C PRO A 805 -15.793 29.715 71.838 1.00 65.03 C ATOM 843 O PRO A 805 -15.269 30.559 72.595 1.00 65.23 O ATOM 844 CB PRO A 805 -15.199 30.090 69.422 1.00 65.83 C ATOM 845 CG PRO A 805 -16.242 29.420 68.588 1.00 69.86 C ATOM 846 CD PRO A 805 -16.048 27.949 68.796 1.00 70.16 C ATOM 847 N GLU A 806 -17.027 29.233 72.035 1.00 66.49 N ATOM 848 CA GLU A 806 -17.825 29.662 73.179 1.00 70.80 C ATOM 849 C GLU A 806 -17.854 28.593 74.237 1.00 68.33 C ATOM 850 O GLU A 806 -18.536 28.770 75.238 1.00 72.82 O ATOM 851 CB GLU A 806 -19.244 30.096 72.735 1.00 73.60 C ATOM 852 CG GLU A 806 -19.227 31.195 71.632 1.00 75.04 C ATOM 853 CD GLU A 806 -18.269 32.343 71.959 1.00 75.78 C ATOM 854 OE1 GLU A 806 -18.326 32.859 73.100 1.00 73.44 O ATOM 855 OE2 GLU A 806 -17.441 32.724 71.098 1.00 73.84 O ATOM 856 H GLU A 806 -17.422 28.544 71.364 1.00 0.00 H ATOM 857 N SER A 807 -17.098 27.503 74.047 1.00 65.60 N ATOM 858 CA SER A 807 -16.994 26.451 75.084 1.00 64.68 C ATOM 859 C SER A 807 -16.330 27.003 76.333 1.00 64.25 C ATOM 860 O SER A 807 -15.521 27.910 76.253 1.00 57.10 O ATOM 861 CB SER A 807 -16.209 25.227 74.608 1.00 60.86 C ATOM 862 OG SER A 807 -14.861 25.525 74.429 1.00 63.46 O ATOM 863 HG SER A 807 -14.770 26.240 73.751 1.00 0.00 H ATOM 864 H SER A 807 -16.575 27.394 73.155 1.00 0.00 H ATOM 865 N GLU A 808 -16.679 26.440 77.489 1.00 60.92 N ATOM 866 CA GLU A 808 -16.025 26.774 78.741 1.00 62.56 C ATOM 867 C GLU A 808 -14.490 26.596 78.654 1.00 60.61 C ATOM 868 O GLU A 808 -13.726 27.386 79.224 1.00 60.20 O ATOM 869 CB GLU A 808 -16.590 25.879 79.855 1.00 68.21 C ATOM 870 CG GLU A 808 -16.167 26.310 81.247 1.00 71.24 C ATOM 871 CD GLU A 808 -16.853 25.555 82.381 1.00 76.35 C ATOM 872 OE1 GLU A 808 -16.978 26.159 83.467 1.00 84.69 O ATOM 873 OE2 GLU A 808 -17.284 24.388 82.209 1.00 76.77 O ATOM 874 H GLU A 808 -17.446 25.738 77.494 1.00 0.00 H ATOM 875 N TYR A 809 -14.029 25.577 77.934 1.00 57.83 N ATOM 876 CA TYR A 809 -12.588 25.318 77.849 1.00 53.36 C ATOM 877 C TYR A 809 -11.894 26.458 77.134 1.00 52.85 C ATOM 878 O TYR A 809 -10.867 26.933 77.591 1.00 49.97 O ATOM 879 CB TYR A 809 -12.302 24.030 77.102 1.00 55.61 C ATOM 880 CG TYR A 809 -12.807 22.757 77.742 1.00 59.68 C ATOM 881 CD1 TYR A 809 -12.623 22.508 79.074 1.00 57.61 C ATOM 882 CD2 TYR A 809 -13.443 21.788 76.968 1.00 70.77 C ATOM 883 CE1 TYR A 809 -13.108 21.327 79.663 1.00 64.00 C ATOM 884 CE2 TYR A 809 -13.909 20.596 77.519 1.00 70.50 C ATOM 885 CZ TYR A 809 -13.740 20.372 78.857 1.00 67.58 C ATOM 886 OH TYR A 809 -14.213 19.178 79.327 1.00 68.81 O ATOM 887 HH TYR A 809 -14.042 19.117 80.300 1.00 0.00 H ATOM 888 H TYR A 809 -14.695 24.959 77.428 1.00 0.00 H ATOM 889 N TYR A 810 -12.457 26.881 75.988 1.00 51.39 N ATOM 890 CA TYR A 810 -11.913 28.007 75.240 1.00 49.76 C ATOM 891 C TYR A 810 -11.904 29.234 76.120 1.00 45.94 C ATOM 892 O TYR A 810 -10.903 29.873 76.202 1.00 47.45 O ATOM 893 CB TYR A 810 -12.681 28.201 73.925 1.00 53.39 C ATOM 894 CG TYR A 810 -11.945 29.000 72.878 1.00 49.31 C ATOM 895 CD1 TYR A 810 -11.633 30.341 73.080 1.00 50.20 C ATOM 896 CD2 TYR A 810 -11.564 28.413 71.671 1.00 49.23 C ATOM 897 CE1 TYR A 810 -10.953 31.090 72.072 1.00 49.57 C ATOM 898 CE2 TYR A 810 -10.889 29.137 70.693 1.00 51.82 C ATOM 899 CZ TYR A 810 -10.577 30.470 70.893 1.00 47.91 C ATOM 900 OH TYR A 810 -9.933 31.129 69.890 1.00 53.92 O ATOM 901 HH TYR A 810 -9.772 32.067 70.163 1.00 0.00 H ATOM 902 H TYR A 810 -13.301 26.392 75.627 1.00 0.00 H ATOM 903 N LYS A 811 -12.977 29.535 76.848 1.00 49.53 N ATOM 904 CA LYS A 811 -12.982 30.698 77.776 1.00 53.68 C ATOM 905 C LYS A 811 -11.902 30.652 78.813 1.00 55.36 C ATOM 906 O LYS A 811 -11.236 31.686 79.112 1.00 47.25 O ATOM 907 CB LYS A 811 -14.320 30.819 78.533 1.00 59.07 C ATOM 908 CG LYS A 811 -15.443 31.287 77.647 1.00 67.47 C ATOM 909 CD LYS A 811 -16.751 31.282 78.394 1.00 75.44 C ATOM 910 CE LYS A 811 -17.872 31.253 77.368 1.00 87.83 C ATOM 911 NZ LYS A 811 -19.155 30.954 78.047 1.00102.79 N ATOM 912 HZ1 LYS A 811 -19.090 30.028 78.517 1.00 0.00 H ATOM 913 HZ2 LYS A 811 -19.351 31.690 78.755 1.00 0.00 H ATOM 914 HZ3 LYS A 811 -19.921 30.934 77.344 1.00 0.00 H ATOM 915 H LYS A 811 -13.830 28.945 76.766 1.00 0.00 H ATOM 916 N CYS A 812 -11.737 29.461 79.438 1.00 53.26 N ATOM 917 CA CYS A 812 -10.644 29.260 80.382 1.00 49.55 C ATOM 918 C CYS A 812 -9.304 29.491 79.778 1.00 45.45 C ATOM 919 O CYS A 812 -8.469 30.156 80.371 1.00 44.72 O ATOM 920 CB CYS A 812 -10.657 27.798 81.001 1.00 50.53 C ATOM 921 SG CYS A 812 -12.080 27.569 82.066 1.00 54.92 S ATOM 922 H CYS A 812 -12.397 28.682 79.242 1.00 0.00 H ATOM 923 N ALA A 813 -9.050 28.933 78.599 1.00 45.14 N ATOM 924 CA ALA A 813 -7.762 29.127 78.005 1.00 47.10 C ATOM 925 C ALA A 813 -7.373 30.637 77.846 1.00 52.46 C ATOM 926 O ALA A 813 -6.229 31.014 78.113 1.00 48.06 O ATOM 927 CB ALA A 813 -7.717 28.510 76.628 1.00 48.57 C ATOM 928 H ALA A 813 -9.775 28.365 78.116 1.00 0.00 H ATOM 929 N ASN A 814 -8.312 31.457 77.385 1.00 50.77 N ATOM 930 CA ASN A 814 -7.989 32.857 77.124 1.00 50.14 C ATOM 931 C ASN A 814 -7.851 33.624 78.374 1.00 46.66 C ATOM 932 O ASN A 814 -6.984 34.458 78.436 1.00 42.42 O ATOM 933 CB ASN A 814 -9.025 33.543 76.242 1.00 51.14 C ATOM 934 CG ASN A 814 -8.686 33.442 74.769 1.00 53.33 C ATOM 935 OD1 ASN A 814 -7.537 33.149 74.359 1.00 54.95 O ATOM 936 ND2 ASN A 814 -9.698 33.640 73.949 1.00 55.02 N ATOM 937 HD22 ASN A 814 -10.636 33.881 74.329 1.00 0.00 H ATOM 938 HD21 ASN A 814 -9.559 33.555 72.922 1.00 0.00 H ATOM 939 H ASN A 814 -9.274 31.103 77.211 1.00 0.00 H ATOM 940 N ILE A 815 -8.659 33.297 79.394 1.00 48.58 N ATOM 941 CA ILE A 815 -8.478 33.891 80.689 1.00 50.52 C ATOM 942 C ILE A 815 -7.102 33.559 81.227 1.00 50.13 C ATOM 943 O ILE A 815 -6.355 34.434 81.723 1.00 46.61 O ATOM 944 CB ILE A 815 -9.593 33.470 81.665 1.00 55.11 C ATOM 945 CG1 ILE A 815 -10.950 34.055 81.217 1.00 60.66 C ATOM 946 CG2 ILE A 815 -9.289 33.920 83.088 1.00 56.89 C ATOM 947 CD1 ILE A 815 -12.155 33.489 81.974 1.00 60.50 C ATOM 948 H ILE A 815 -9.423 32.607 79.246 1.00 0.00 H ATOM 949 N LEU A 816 -6.737 32.290 81.176 1.00 50.13 N ATOM 950 CA LEU A 816 -5.461 31.880 81.783 1.00 48.39 C ATOM 951 C LEU A 816 -4.292 32.384 80.968 1.00 47.63 C ATOM 952 O LEU A 816 -3.260 32.737 81.507 1.00 42.39 O ATOM 953 CB LEU A 816 -5.398 30.358 81.876 1.00 49.19 C ATOM 954 CG LEU A 816 -4.332 29.754 82.770 1.00 47.96 C ATOM 955 CD1 LEU A 816 -4.499 30.201 84.179 1.00 47.66 C ATOM 956 CD2 LEU A 816 -4.403 28.224 82.720 1.00 48.66 C ATOM 957 H LEU A 816 -7.346 31.587 80.711 1.00 0.00 H ATOM 958 N GLU A 817 -4.442 32.384 79.645 1.00 44.04 N ATOM 959 CA GLU A 817 -3.449 33.008 78.798 1.00 45.08 C ATOM 960 C GLU A 817 -3.244 34.485 79.140 1.00 43.01 C ATOM 961 O GLU A 817 -2.092 34.897 79.270 1.00 42.71 O ATOM 962 CB GLU A 817 -3.785 32.848 77.342 1.00 47.13 C ATOM 963 CG GLU A 817 -2.792 33.443 76.371 1.00 52.11 C ATOM 964 CD GLU A 817 -3.365 33.390 74.952 1.00 56.42 C ATOM 965 OE1 GLU A 817 -4.352 34.133 74.710 1.00 53.62 O ATOM 966 OE2 GLU A 817 -2.874 32.588 74.117 1.00 57.65 O ATOM 967 H GLU A 817 -5.277 31.933 79.219 1.00 0.00 H ATOM 968 N LYS A 818 -4.312 35.285 79.349 1.00 45.56 N ATOM 969 CA LYS A 818 -4.101 36.668 79.784 1.00 46.74 C ATOM 970 C LYS A 818 -3.336 36.702 81.074 1.00 50.82 C ATOM 971 O LYS A 818 -2.416 37.504 81.261 1.00 48.07 O ATOM 972 CB LYS A 818 -5.397 37.402 80.100 1.00 52.83 C ATOM 973 CG LYS A 818 -6.192 37.855 78.905 1.00 60.86 C ATOM 974 CD LYS A 818 -7.351 38.712 79.393 1.00 63.40 C ATOM 975 CE LYS A 818 -8.273 38.957 78.235 1.00 62.36 C ATOM 976 NZ LYS A 818 -9.343 39.848 78.705 1.00 64.60 N ATOM 977 HZ1 LYS A 818 -9.854 39.391 79.487 1.00 0.00 H ATOM 978 HZ2 LYS A 818 -8.928 40.742 79.036 1.00 0.00 H ATOM 979 HZ3 LYS A 818 -10.002 40.039 77.923 1.00 0.00 H ATOM 980 H LYS A 818 -5.276 34.922 79.202 1.00 0.00 H ATOM 981 N PHE A 819 -3.706 35.821 81.998 1.00 50.36 N ATOM 982 CA PHE A 819 -2.986 35.782 83.285 1.00 46.89 C ATOM 983 C PHE A 819 -1.532 35.478 83.064 1.00 47.37 C ATOM 984 O PHE A 819 -0.654 36.094 83.609 1.00 52.57 O ATOM 985 CB PHE A 819 -3.680 34.742 84.201 1.00 49.25 C ATOM 986 CG PHE A 819 -3.070 34.607 85.554 1.00 52.51 C ATOM 987 CD1 PHE A 819 -3.329 35.559 86.539 1.00 55.64 C ATOM 988 CD2 PHE A 819 -2.320 33.505 85.876 1.00 52.79 C ATOM 989 CE1 PHE A 819 -2.784 35.413 87.819 1.00 60.37 C ATOM 990 CE2 PHE A 819 -1.742 33.349 87.148 1.00 54.06 C ATOM 991 CZ PHE A 819 -1.995 34.290 88.126 1.00 57.79 C ATOM 992 H PHE A 819 -4.494 35.167 81.816 1.00 0.00 H ATOM 993 N PHE A 820 -1.256 34.431 82.308 1.00 48.97 N ATOM 994 CA PHE A 820 0.116 34.059 81.976 1.00 50.22 C ATOM 995 C PHE A 820 0.945 35.242 81.390 1.00 53.08 C ATOM 996 O PHE A 820 2.063 35.496 81.847 1.00 51.36 O ATOM 997 CB PHE A 820 0.050 32.880 81.009 1.00 51.24 C ATOM 998 CG PHE A 820 1.278 32.661 80.148 1.00 55.22 C ATOM 999 CD1 PHE A 820 2.455 32.213 80.697 1.00 63.28 C ATOM 1000 CD2 PHE A 820 1.206 32.787 78.751 1.00 63.65 C ATOM 1001 CE1 PHE A 820 3.567 31.956 79.889 1.00 57.59 C ATOM 1002 CE2 PHE A 820 2.307 32.520 77.921 1.00 66.17 C ATOM 1003 CZ PHE A 820 3.492 32.105 78.501 1.00 66.11 C ATOM 1004 H PHE A 820 -2.039 33.855 81.938 1.00 0.00 H ATOM 1005 N PHE A 821 0.413 35.958 80.387 1.00 50.90 N ATOM 1006 CA PHE A 821 1.204 37.075 79.798 1.00 51.63 C ATOM 1007 C PHE A 821 1.453 38.142 80.831 1.00 53.58 C ATOM 1008 O PHE A 821 2.538 38.732 80.842 1.00 57.61 O ATOM 1009 CB PHE A 821 0.553 37.700 78.567 1.00 50.11 C ATOM 1010 CG PHE A 821 0.776 36.907 77.315 1.00 50.19 C ATOM 1011 CD1 PHE A 821 2.038 36.790 76.782 1.00 54.40 C ATOM 1012 CD2 PHE A 821 -0.251 36.211 76.735 1.00 49.56 C ATOM 1013 CE1 PHE A 821 2.257 36.011 75.665 1.00 55.14 C ATOM 1014 CE2 PHE A 821 -0.049 35.430 75.633 1.00 47.58 C ATOM 1015 CZ PHE A 821 1.208 35.324 75.091 1.00 49.42 C ATOM 1016 H PHE A 821 -0.537 35.736 80.026 1.00 0.00 H ATOM 1017 N SER A 822 0.511 38.380 81.741 1.00 55.16 N ATOM 1018 CA SER A 822 0.771 39.392 82.768 1.00 62.57 C ATOM 1019 C SER A 822 1.879 38.935 83.704 1.00 61.11 C ATOM 1020 O SER A 822 2.761 39.743 84.059 1.00 64.74 O ATOM 1021 CB SER A 822 -0.486 39.736 83.558 1.00 67.58 C ATOM 1022 OG SER A 822 -0.854 38.650 84.379 1.00 81.25 O ATOM 1023 HG SER A 822 -1.031 37.856 83.814 1.00 0.00 H ATOM 1024 H SER A 822 -0.389 37.859 81.723 1.00 0.00 H ATOM 1025 N LYS A 823 1.888 37.655 84.088 1.00 64.59 N ATOM 1026 CA LYS A 823 2.948 37.127 85.005 1.00 62.60 C ATOM 1027 C LYS A 823 4.342 37.149 84.376 1.00 59.57 C ATOM 1028 O LYS A 823 5.292 37.515 85.011 1.00 63.48 O ATOM 1029 CB LYS A 823 2.627 35.707 85.500 1.00 66.00 C ATOM 1030 CG LYS A 823 1.366 35.645 86.357 1.00 68.56 C ATOM 1031 CD LYS A 823 1.615 36.322 87.694 1.00 77.98 C ATOM 1032 CE LYS A 823 0.439 37.180 88.094 1.00 82.11 C ATOM 1033 NZ LYS A 823 0.671 37.623 89.477 1.00 89.19 N ATOM 1034 HZ1 LYS A 823 0.745 36.792 90.098 1.00 0.00 H ATOM 1035 HZ2 LYS A 823 1.554 38.170 89.521 1.00 0.00 H ATOM 1036 HZ3 LYS A 823 -0.123 38.219 89.787 1.00 0.00 H ATOM 1037 H LYS A 823 1.145 37.014 83.744 1.00 0.00 H ATOM 1038 N ILE A 824 4.444 36.741 83.123 1.00 56.76 N ATOM 1039 CA ILE A 824 5.681 36.818 82.348 1.00 60.35 C ATOM 1040 C ILE A 824 6.210 38.265 82.235 1.00 62.00 C ATOM 1041 O ILE A 824 7.404 38.500 82.393 1.00 63.03 O ATOM 1042 CB ILE A 824 5.418 36.276 80.917 1.00 68.74 C ATOM 1043 CG1 ILE A 824 5.274 34.744 80.954 1.00 74.38 C ATOM 1044 CG2 ILE A 824 6.498 36.715 79.927 1.00 79.47 C ATOM 1045 CD1 ILE A 824 6.554 33.995 81.227 1.00 76.96 C ATOM 1046 H ILE A 824 3.599 36.344 82.664 1.00 0.00 H ATOM 1047 N LYS A 825 5.323 39.221 81.959 1.00 60.25 N ATOM 1048 CA LYS A 825 5.720 40.637 81.938 1.00 70.51 C ATOM 1049 C LYS A 825 6.128 41.093 83.335 1.00 68.84 C ATOM 1050 O LYS A 825 7.150 41.724 83.492 1.00 67.82 O ATOM 1051 CB LYS A 825 4.596 41.521 81.402 1.00 66.30 C ATOM 1052 CG LYS A 825 4.409 41.210 79.940 1.00 68.80 C ATOM 1053 CD LYS A 825 3.254 41.956 79.330 1.00 67.71 C ATOM 1054 CE LYS A 825 2.791 41.292 78.044 1.00 65.68 C ATOM 1055 NZ LYS A 825 1.574 41.989 77.525 1.00 62.96 N ATOM 1056 HZ1 LYS A 825 0.815 41.934 78.234 1.00 0.00 H ATOM 1057 HZ2 LYS A 825 1.801 42.986 77.336 1.00 0.00 H ATOM 1058 HZ3 LYS A 825 1.262 41.530 76.645 1.00 0.00 H ATOM 1059 H LYS A 825 4.337 38.962 81.756 1.00 0.00 H ATOM 1060 N GLU A 826 5.313 40.779 84.324 1.00 72.17 N ATOM 1061 CA GLU A 826 5.603 41.115 85.734 1.00 76.21 C ATOM 1062 C GLU A 826 6.979 40.638 86.153 1.00 74.72 C ATOM 1063 O GLU A 826 7.648 41.310 86.881 1.00 81.09 O ATOM 1064 CB GLU A 826 4.544 40.459 86.615 1.00 80.15 C ATOM 1065 CG GLU A 826 4.703 40.571 88.107 1.00 85.45 C ATOM 1066 CD GLU A 826 3.496 39.962 88.807 1.00 92.48 C ATOM 1067 OE1 GLU A 826 3.671 39.046 89.629 1.00107.35 O ATOM 1068 OE2 GLU A 826 2.354 40.368 88.519 1.00 97.75 O ATOM 1069 H GLU A 826 4.431 40.275 84.103 1.00 0.00 H ATOM 1070 N ALA A 827 7.407 39.474 85.678 1.00 76.42 N ATOM 1071 CA ALA A 827 8.734 38.921 86.029 1.00 76.38 C ATOM 1072 C ALA A 827 9.889 39.337 85.074 1.00 78.47 C ATOM 1073 O ALA A 827 10.996 38.805 85.157 1.00 73.48 O ATOM 1074 CB ALA A 827 8.638 37.400 86.090 1.00 74.78 C ATOM 1075 H ALA A 827 6.790 38.934 85.039 1.00 0.00 H ATOM 1076 N GLY A 828 9.626 40.240 84.128 1.00 81.58 N ATOM 1077 CA GLY A 828 10.665 40.705 83.199 1.00 81.36 C ATOM 1078 C GLY A 828 11.262 39.625 82.305 1.00 83.05 C ATOM 1079 O GLY A 828 12.360 39.777 81.779 1.00 79.32 O ATOM 1080 H GLY A 828 8.663 40.624 84.046 1.00 0.00 H ATOM 1081 N LEU A 829 10.526 38.541 82.104 1.00 79.21 N ATOM 1082 CA LEU A 829 10.994 37.441 81.303 1.00 85.66 C ATOM 1083 C LEU A 829 10.730 37.728 79.777 1.00 87.94 C ATOM 1084 O LEU A 829 11.162 36.978 78.878 1.00 87.45 O ATOM 1085 CB LEU A 829 10.305 36.162 81.816 1.00 95.63 C ATOM 1086 CG LEU A 829 11.097 34.882 82.079 1.00 98.89 C ATOM 1087 CD1 LEU A 829 11.945 34.935 83.345 1.00 94.14 C ATOM 1088 CD2 LEU A 829 10.106 33.725 82.152 1.00105.19 C ATOM 1089 H LEU A 829 9.583 38.484 82.538 1.00 0.00 H ATOM 1090 N ILE A 830 9.991 38.802 79.497 1.00 87.66 N ATOM 1091 CA ILE A 830 10.016 39.466 78.167 1.00 96.24 C ATOM 1092 C ILE A 830 9.831 40.977 78.334 1.00100.19 C ATOM 1093 O ILE A 830 9.242 41.428 79.336 1.00104.78 O ATOM 1094 CB ILE A 830 8.924 38.960 77.146 1.00 85.41 C ATOM 1095 CG1 ILE A 830 7.503 39.386 77.597 1.00 80.71 C ATOM 1096 CG2 ILE A 830 9.058 37.459 76.883 1.00 80.49 C ATOM 1097 CD1 ILE A 830 6.352 38.680 76.919 1.00 75.33 C ATOM 1098 H ILE A 830 9.373 39.190 80.238 1.00 0.00 H ATOM 1099 N ASP A 831 10.344 41.714 77.338 1.00107.69 N ATOM 1100 CA ASP A 831 10.038 43.147 77.035 1.00110.61 C ATOM 1101 C ASP A 831 11.337 43.924 76.895 1.00107.72 C ATOM 1102 O ASP A 831 12.394 43.320 76.703 1.00104.36 O ATOM 1103 CB ASP A 831 9.104 43.817 78.057 1.00109.43 C ATOM 1104 H ASP A 831 11.025 41.240 76.711 1.00 0.00 H TER 1105 ASP A 831 ATOM 1106 N ARG B 723 -4.043 18.031 44.449 1.00142.85 N ATOM 1107 CA ARG B 723 -4.716 16.998 45.302 1.00147.76 C ATOM 1108 C ARG B 723 -4.127 17.080 46.702 1.00147.56 C ATOM 1109 O ARG B 723 -4.832 17.418 47.657 1.00143.97 O ATOM 1110 CB ARG B 723 -4.556 15.578 44.719 1.00143.75 C ATOM 1111 HN3 ARG B 723 -3.021 17.842 44.419 1.00 0.00 H ATOM 1112 HN2 ARG B 723 -4.210 18.975 44.853 1.00 0.00 H ATOM 1113 HN1 ARG B 723 -4.433 17.991 43.486 1.00 0.00 H ATOM 1114 N ASP B 724 -2.841 16.743 46.814 1.00149.64 N ATOM 1115 CA ASP B 724 -2.036 17.077 47.997 1.00140.21 C ATOM 1116 C ASP B 724 -1.626 18.545 47.887 1.00130.70 C ATOM 1117 O ASP B 724 -2.117 19.373 48.654 1.00114.31 O ATOM 1118 CB ASP B 724 -0.790 16.177 48.139 1.00143.78 C ATOM 1119 CG ASP B 724 -1.128 14.754 48.557 1.00144.98 C ATOM 1120 OD1 ASP B 724 -1.402 14.539 49.754 1.00145.17 O ATOM 1121 OD2 ASP B 724 -1.100 13.849 47.695 1.00140.75 O ATOM 1122 H ASP B 724 -2.391 16.224 46.034 1.00 0.00 H ATOM 1123 N PRO B 725 -0.769 18.880 46.894 1.00129.69 N ATOM 1124 CA PRO B 725 -0.102 20.194 46.952 1.00123.93 C ATOM 1125 C PRO B 725 -0.993 21.417 46.639 1.00115.84 C ATOM 1126 O PRO B 725 -0.981 22.398 47.389 1.00 97.54 O ATOM 1127 CB PRO B 725 1.051 20.060 45.928 1.00126.58 C ATOM 1128 CG PRO B 725 0.790 18.802 45.148 1.00128.97 C ATOM 1129 CD PRO B 725 -0.504 18.198 45.608 1.00130.09 C ATOM 1130 N ASP B 726 -1.745 21.381 45.543 1.00113.19 N ATOM 1131 CA ASP B 726 -2.564 22.550 45.199 1.00105.96 C ATOM 1132 C ASP B 726 -3.949 22.685 45.839 1.00 91.96 C ATOM 1133 O ASP B 726 -4.479 23.792 45.925 1.00 83.21 O ATOM 1134 CB ASP B 726 -2.691 22.741 43.715 1.00110.55 C ATOM 1135 CG ASP B 726 -2.833 24.206 43.385 1.00114.20 C ATOM 1136 OD1 ASP B 726 -1.860 24.950 43.634 1.00107.61 O ATOM 1137 OD2 ASP B 726 -3.933 24.638 42.987 1.00116.31 O ATOM 1138 H ASP B 726 -1.753 20.536 44.937 1.00 0.00 H ATOM 1139 N GLN B 727 -4.539 21.581 46.261 1.00 88.01 N ATOM 1140 CA GLN B 727 -5.691 21.642 47.136 1.00 87.61 C ATOM 1141 C GLN B 727 -5.307 22.477 48.381 1.00 81.89 C ATOM 1142 O GLN B 727 -6.092 23.321 48.820 1.00 76.86 O ATOM 1143 CB GLN B 727 -6.126 20.237 47.525 1.00 91.01 C ATOM 1144 CG GLN B 727 -7.226 20.093 48.561 1.00 97.76 C ATOM 1145 CD GLN B 727 -8.574 20.552 48.057 1.00106.14 C ATOM 1146 OE1 GLN B 727 -9.304 19.784 47.402 1.00106.66 O ATOM 1147 NE2 GLN B 727 -8.938 21.800 48.394 1.00104.89 N ATOM 1148 HE22 GLN B 727 -8.290 22.401 48.942 1.00 0.00 H ATOM 1149 HE21 GLN B 727 -9.868 22.166 48.107 1.00 0.00 H ATOM 1150 H GLN B 727 -4.171 20.656 45.961 1.00 0.00 H ATOM 1151 N LEU B 728 -4.109 22.245 48.922 1.00 73.75 N ATOM 1152 CA LEU B 728 -3.649 22.950 50.137 1.00 72.31 C ATOM 1153 C LEU B 728 -3.566 24.458 49.887 1.00 66.74 C ATOM 1154 O LEU B 728 -4.159 25.252 50.617 1.00 66.03 O ATOM 1155 CB LEU B 728 -2.304 22.383 50.597 1.00 71.80 C ATOM 1156 CG LEU B 728 -1.619 23.016 51.828 1.00 67.92 C ATOM 1157 CD1 LEU B 728 -2.509 22.873 53.055 1.00 68.35 C ATOM 1158 CD2 LEU B 728 -0.251 22.374 52.058 1.00 67.87 C ATOM 1159 H LEU B 728 -3.480 21.547 48.475 1.00 0.00 H ATOM 1160 N TYR B 729 -2.868 24.823 48.816 1.00 66.05 N ATOM 1161 CA TYR B 729 -2.800 26.187 48.363 1.00 67.87 C ATOM 1162 C TYR B 729 -4.176 26.864 48.299 1.00 69.14 C ATOM 1163 O TYR B 729 -4.316 27.966 48.788 1.00 62.39 O ATOM 1164 CB TYR B 729 -2.117 26.268 47.000 1.00 70.44 C ATOM 1165 CG TYR B 729 -1.950 27.691 46.518 1.00 68.21 C ATOM 1166 CD1 TYR B 729 -0.896 28.456 46.947 1.00 68.38 C ATOM 1167 CD2 TYR B 729 -2.861 28.266 45.652 1.00 70.28 C ATOM 1168 CE1 TYR B 729 -0.738 29.753 46.512 1.00 66.99 C ATOM 1169 CE2 TYR B 729 -2.715 29.559 45.214 1.00 69.50 C ATOM 1170 CZ TYR B 729 -1.662 30.299 45.664 1.00 68.33 C ATOM 1171 OH TYR B 729 -1.521 31.567 45.229 1.00 70.17 O ATOM 1172 HH TYR B 729 -0.716 31.969 45.642 1.00 0.00 H ATOM 1173 H TYR B 729 -2.351 24.094 48.285 1.00 0.00 H ATOM 1174 N SER B 730 -5.177 26.208 47.704 1.00 65.51 N ATOM 1175 CA SER B 730 -6.493 26.820 47.546 1.00 64.38 C ATOM 1176 C SER B 730 -7.164 27.019 48.874 1.00 61.32 C ATOM 1177 O SER B 730 -7.779 28.033 49.112 1.00 60.94 O ATOM 1178 CB SER B 730 -7.434 25.896 46.707 1.00 71.48 C ATOM 1179 OG SER B 730 -6.699 25.324 45.661 1.00 77.87 O ATOM 1180 HG SER B 730 -5.954 24.790 46.036 1.00 0.00 H ATOM 1181 H SER B 730 -5.016 25.245 47.347 1.00 0.00 H ATOM 1182 N THR B 731 -7.131 25.989 49.709 1.00 60.09 N ATOM 1183 CA THR B 731 -7.702 26.075 51.026 1.00 58.10 C ATOM 1184 C THR B 731 -7.007 27.181 51.889 1.00 58.13 C ATOM 1185 O THR B 731 -7.689 27.956 52.544 1.00 55.75 O ATOM 1186 CB THR B 731 -7.547 24.746 51.765 1.00 63.84 C ATOM 1187 OG1 THR B 731 -8.103 23.673 50.983 1.00 66.08 O ATOM 1188 CG2 THR B 731 -8.247 24.817 53.117 1.00 62.16 C ATOM 1189 HG1 THR B 731 -7.629 23.619 50.115 1.00 0.00 H ATOM 1190 H THR B 731 -6.683 25.101 49.405 1.00 0.00 H ATOM 1191 N LEU B 732 -5.685 27.250 51.864 1.00 55.98 N ATOM 1192 CA LEU B 732 -4.974 28.265 52.656 1.00 56.14 C ATOM 1193 C LEU B 732 -5.278 29.679 52.169 1.00 56.21 C ATOM 1194 O LEU B 732 -5.522 30.576 52.988 1.00 55.10 O ATOM 1195 CB LEU B 732 -3.484 28.029 52.629 1.00 58.04 C ATOM 1196 CG LEU B 732 -2.990 26.768 53.326 1.00 63.02 C ATOM 1197 CD1 LEU B 732 -1.479 26.746 53.388 1.00 62.77 C ATOM 1198 CD2 LEU B 732 -3.592 26.609 54.719 1.00 63.73 C ATOM 1199 H LEU B 732 -5.145 26.581 51.279 1.00 0.00 H ATOM 1200 N LYS B 733 -5.341 29.859 50.844 1.00 55.17 N ATOM 1201 CA LYS B 733 -5.685 31.143 50.231 1.00 54.90 C ATOM 1202 C LYS B 733 -7.056 31.634 50.639 1.00 55.50 C ATOM 1203 O LYS B 733 -7.264 32.826 50.854 1.00 55.43 O ATOM 1204 CB LYS B 733 -5.677 31.022 48.734 1.00 58.38 C ATOM 1205 CG LYS B 733 -5.801 32.339 47.968 1.00 63.32 C ATOM 1206 CD LYS B 733 -5.822 32.006 46.465 1.00 75.64 C ATOM 1207 CE LYS B 733 -5.099 33.017 45.593 1.00 85.94 C ATOM 1208 NZ LYS B 733 -5.830 34.316 45.469 1.00 87.98 N ATOM 1209 HZ1 LYS B 733 -6.765 34.147 45.047 1.00 0.00 H ATOM 1210 HZ2 LYS B 733 -5.946 34.739 46.412 1.00 0.00 H ATOM 1211 HZ3 LYS B 733 -5.286 34.962 44.862 1.00 0.00 H ATOM 1212 H LYS B 733 -5.136 29.051 50.222 1.00 0.00 H ATOM 1213 N SER B 734 -7.998 30.702 50.692 1.00 56.26 N ATOM 1214 CA SER B 734 -9.361 31.024 51.068 1.00 56.35 C ATOM 1215 C SER B 734 -9.421 31.408 52.548 1.00 53.75 C ATOM 1216 O SER B 734 -10.031 32.396 52.908 1.00 53.43 O ATOM 1217 CB SER B 734 -10.270 29.841 50.795 1.00 54.00 C ATOM 1218 OG SER B 734 -11.527 29.967 51.476 1.00 54.78 O ATOM 1219 HG SER B 734 -11.369 30.019 52.452 1.00 0.00 H ATOM 1220 H SER B 734 -7.754 29.718 50.459 1.00 0.00 H ATOM 1221 N ILE B 735 -8.776 30.618 53.395 1.00 54.16 N ATOM 1222 CA ILE B 735 -8.762 30.914 54.825 1.00 51.70 C ATOM 1223 C ILE B 735 -8.113 32.275 55.084 1.00 48.18 C ATOM 1224 O ILE B 735 -8.674 33.098 55.821 1.00 45.42 O ATOM 1225 CB ILE B 735 -8.023 29.843 55.613 1.00 54.97 C ATOM 1226 CG1 ILE B 735 -8.860 28.538 55.575 1.00 56.82 C ATOM 1227 CG2 ILE B 735 -7.743 30.318 57.041 1.00 51.70 C ATOM 1228 CD1 ILE B 735 -8.081 27.337 56.030 1.00 61.67 C ATOM 1229 H ILE B 735 -8.275 29.779 53.038 1.00 0.00 H ATOM 1230 N LEU B 736 -6.968 32.502 54.456 1.00 43.34 N ATOM 1231 CA LEU B 736 -6.173 33.748 54.655 1.00 47.20 C ATOM 1232 C LEU B 736 -6.930 34.949 54.134 1.00 47.00 C ATOM 1233 O LEU B 736 -6.919 36.009 54.761 1.00 43.66 O ATOM 1234 CB LEU B 736 -4.807 33.706 53.965 1.00 43.90 C ATOM 1235 CG LEU B 736 -3.895 34.949 54.199 1.00 46.54 C ATOM 1236 CD1 LEU B 736 -3.701 35.186 55.692 1.00 46.80 C ATOM 1237 CD2 LEU B 736 -2.563 34.749 53.535 1.00 49.69 C ATOM 1238 H LEU B 736 -6.609 31.782 53.797 1.00 0.00 H ATOM 1239 N GLN B 737 -7.611 34.790 52.994 1.00 45.80 N ATOM 1240 CA GLN B 737 -8.410 35.893 52.497 1.00 45.44 C ATOM 1241 C GLN B 737 -9.601 36.221 53.417 1.00 43.18 C ATOM 1242 O GLN B 737 -9.938 37.384 53.645 1.00 44.62 O ATOM 1243 CB GLN B 737 -8.741 35.726 51.004 1.00 51.07 C ATOM 1244 CG GLN B 737 -7.436 35.865 50.217 1.00 57.87 C ATOM 1245 CD GLN B 737 -7.628 35.705 48.706 1.00 62.52 C ATOM 1246 OE1 GLN B 737 -6.697 35.910 47.918 1.00 67.64 O ATOM 1247 NE2 GLN B 737 -8.835 35.432 48.300 1.00 59.18 N ATOM 1248 HE22 GLN B 737 -9.592 35.266 48.994 1.00 0.00 H ATOM 1249 HE21 GLN B 737 -9.042 35.380 47.282 1.00 0.00 H ATOM 1250 H GLN B 737 -7.568 33.891 52.473 1.00 0.00 H ATOM 1251 N GLN B 738 -10.225 35.205 53.966 1.00 44.24 N ATOM 1252 CA GLN B 738 -11.316 35.440 54.878 1.00 44.44 C ATOM 1253 C GLN B 738 -10.839 36.116 56.185 1.00 47.36 C ATOM 1254 O GLN B 738 -11.495 37.019 56.706 1.00 46.07 O ATOM 1255 CB GLN B 738 -12.029 34.144 55.168 1.00 45.71 C ATOM 1256 CG GLN B 738 -12.876 33.656 53.988 1.00 50.33 C ATOM 1257 CD GLN B 738 -13.650 32.383 54.328 1.00 50.54 C ATOM 1258 OE1 GLN B 738 -14.626 32.419 55.054 1.00 51.86 O ATOM 1259 NE2 GLN B 738 -13.191 31.268 53.815 1.00 54.24 N ATOM 1260 HE22 GLN B 738 -12.353 31.285 53.199 1.00 0.00 H ATOM 1261 HE21 GLN B 738 -13.665 30.366 54.024 1.00 0.00 H ATOM 1262 H GLN B 738 -9.933 34.232 53.743 1.00 0.00 H ATOM 1263 N VAL B 739 -9.697 35.681 56.693 1.00 46.27 N ATOM 1264 CA VAL B 739 -9.087 36.324 57.901 1.00 42.10 C ATOM 1265 C VAL B 739 -8.800 37.791 57.620 1.00 38.97 C ATOM 1266 O VAL B 739 -9.212 38.681 58.370 1.00 41.39 O ATOM 1267 CB VAL B 739 -7.826 35.551 58.330 1.00 42.03 C ATOM 1268 CG1 VAL B 739 -7.018 36.355 59.360 1.00 45.04 C ATOM 1269 CG2 VAL B 739 -8.188 34.184 58.859 1.00 42.27 C ATOM 1270 H VAL B 739 -9.213 34.877 56.245 1.00 0.00 H ATOM 1271 N LYS B 740 -8.214 38.064 56.463 1.00 42.31 N ATOM 1272 CA LYS B 740 -7.936 39.427 56.077 1.00 42.93 C ATOM 1273 C LYS B 740 -9.112 40.335 55.906 1.00 47.24 C ATOM 1274 O LYS B 740 -8.922 41.540 56.067 1.00 43.09 O ATOM 1275 CB LYS B 740 -7.065 39.513 54.818 1.00 46.09 C ATOM 1276 CG LYS B 740 -5.647 39.035 55.066 1.00 47.39 C ATOM 1277 CD LYS B 740 -4.875 38.894 53.782 1.00 49.30 C ATOM 1278 CE LYS B 740 -4.282 40.202 53.369 1.00 56.93 C ATOM 1279 NZ LYS B 740 -3.594 39.940 52.084 1.00 76.71 N ATOM 1280 HZ1 LYS B 740 -2.859 39.218 52.227 1.00 0.00 H ATOM 1281 HZ2 LYS B 740 -4.285 39.599 51.385 1.00 0.00 H ATOM 1282 HZ3 LYS B 740 -3.157 40.819 51.741 1.00 0.00 H ATOM 1283 H LYS B 740 -7.951 37.286 55.825 1.00 0.00 H ATOM 1284 N SER B 741 -10.298 39.807 55.531 1.00 44.53 N ATOM 1285 CA SER B 741 -11.484 40.627 55.370 1.00 44.81 C ATOM 1286 C SER B 741 -12.235 40.850 56.648 1.00 43.43 C ATOM 1287 O SER B 741 -13.231 41.552 56.665 1.00 47.08 O ATOM 1288 CB SER B 741 -12.487 39.930 54.415 1.00 54.14 C ATOM 1289 OG SER B 741 -11.878 39.750 53.151 1.00 59.60 O ATOM 1290 HG SER B 741 -11.070 39.188 53.253 1.00 0.00 H ATOM 1291 H SER B 741 -10.362 38.784 55.353 1.00 0.00 H ATOM 1292 N HIS B 742 -11.886 40.122 57.678 1.00 42.66 N ATOM 1293 CA HIS B 742 -12.604 40.227 58.905 1.00 44.20 C ATOM 1294 C HIS B 742 -12.398 41.671 59.476 1.00 44.88 C ATOM 1295 O HIS B 742 -11.312 42.210 59.370 1.00 41.37 O ATOM 1296 CB HIS B 742 -12.057 39.182 59.862 1.00 43.53 C ATOM 1297 CG HIS B 742 -12.913 38.961 61.048 1.00 44.24 C ATOM 1298 ND1 HIS B 742 -12.919 39.809 62.121 1.00 46.90 N ATOM 1299 CD2 HIS B 742 -13.829 37.992 61.336 1.00 48.58 C ATOM 1300 CE1 HIS B 742 -13.758 39.365 63.051 1.00 43.81 C ATOM 1301 NE2 HIS B 742 -14.318 38.258 62.601 1.00 45.89 N ATOM 1302 H HIS B 742 -11.083 39.465 57.601 1.00 0.00 H ATOM 1303 N GLN B 743 -13.397 42.199 60.164 1.00 45.02 N ATOM 1304 CA GLN B 743 -13.342 43.534 60.738 1.00 54.25 C ATOM 1305 C GLN B 743 -12.303 43.727 61.849 1.00 51.02 C ATOM 1306 O GLN B 743 -11.844 44.830 62.042 1.00 53.17 O ATOM 1307 CB GLN B 743 -14.712 43.966 61.248 1.00 61.00 C ATOM 1308 CG GLN B 743 -15.200 43.265 62.476 1.00 73.62 C ATOM 1309 CD GLN B 743 -16.626 43.676 62.836 1.00 90.97 C ATOM 1310 OE1 GLN B 743 -17.295 44.376 62.077 1.00 90.03 O ATOM 1311 NE2 GLN B 743 -17.094 43.245 63.997 1.00 94.16 N ATOM 1312 HE22 GLN B 743 -16.497 42.655 64.611 1.00 0.00 H ATOM 1313 HE21 GLN B 743 -18.058 43.497 64.295 1.00 0.00 H ATOM 1314 H GLN B 743 -14.260 41.634 60.300 1.00 0.00 H ATOM 1315 N SER B 744 -11.879 42.656 62.506 1.00 45.45 N ATOM 1316 CA SER B 744 -10.837 42.710 63.514 1.00 46.65 C ATOM 1317 C SER B 744 -9.416 42.470 62.961 1.00 45.07 C ATOM 1318 O SER B 744 -8.456 42.399 63.719 1.00 44.30 O ATOM 1319 CB SER B 744 -11.173 41.713 64.650 1.00 47.97 C ATOM 1320 OG SER B 744 -12.342 42.163 65.339 1.00 52.86 O ATOM 1321 HG SER B 744 -12.173 43.060 65.722 1.00 0.00 H ATOM 1322 H SER B 744 -12.313 41.736 62.289 1.00 0.00 H ATOM 1323 N ALA B 745 -9.258 42.359 61.639 1.00 40.82 N ATOM 1324 CA ALA B 745 -7.944 42.108 61.096 1.00 37.42 C ATOM 1325 C ALA B 745 -7.113 43.339 60.927 1.00 36.44 C ATOM 1326 O ALA B 745 -5.909 43.235 60.652 1.00 34.34 O ATOM 1327 CB ALA B 745 -8.051 41.372 59.763 1.00 41.69 C ATOM 1328 H ALA B 745 -10.077 42.453 61.005 1.00 0.00 H ATOM 1329 N TRP B 746 -7.689 44.497 61.116 1.00 38.87 N ATOM 1330 CA TRP B 746 -7.020 45.736 60.699 1.00 45.41 C ATOM 1331 C TRP B 746 -5.667 45.993 61.395 1.00 44.65 C ATOM 1332 O TRP B 746 -4.769 46.503 60.766 1.00 44.14 O ATOM 1333 CB TRP B 746 -7.965 46.972 60.819 1.00 46.30 C ATOM 1334 CG TRP B 746 -8.404 47.282 62.244 1.00 46.51 C ATOM 1335 CD1 TRP B 746 -9.529 46.849 62.839 1.00 47.81 C ATOM 1336 CD2 TRP B 746 -7.703 48.064 63.233 1.00 45.91 C ATOM 1337 NE1 TRP B 746 -9.564 47.247 64.128 1.00 49.12 N ATOM 1338 CE2 TRP B 746 -8.495 48.064 64.382 1.00 45.85 C ATOM 1339 CE3 TRP B 746 -6.505 48.781 63.234 1.00 48.14 C ATOM 1340 CZ2 TRP B 746 -8.104 48.676 65.563 1.00 52.35 C ATOM 1341 CZ3 TRP B 746 -6.113 49.401 64.394 1.00 51.44 C ATOM 1342 CH2 TRP B 746 -6.920 49.375 65.537 1.00 52.78 C ATOM 1343 HE1 TRP B 746 -10.290 46.975 64.821 1.00 0.00 H ATOM 1344 H TRP B 746 -8.626 44.541 61.564 1.00 0.00 H ATOM 1345 N PRO B 747 -5.486 45.559 62.639 1.00 43.51 N ATOM 1346 CA PRO B 747 -4.148 45.801 63.213 1.00 44.51 C ATOM 1347 C PRO B 747 -3.038 45.001 62.574 1.00 42.56 C ATOM 1348 O PRO B 747 -1.854 45.252 62.883 1.00 46.57 O ATOM 1349 CB PRO B 747 -4.310 45.326 64.692 1.00 41.55 C ATOM 1350 CG PRO B 747 -5.799 45.406 64.936 1.00 38.86 C ATOM 1351 CD PRO B 747 -6.416 44.994 63.645 1.00 43.77 C ATOM 1352 N PHE B 748 -3.403 43.938 61.850 1.00 36.68 N ATOM 1353 CA PHE B 748 -2.461 42.882 61.484 1.00 34.61 C ATOM 1354 C PHE B 748 -2.172 42.852 59.999 1.00 39.22 C ATOM 1355 O PHE B 748 -1.500 41.936 59.506 1.00 41.26 O ATOM 1356 CB PHE B 748 -3.011 41.528 61.948 1.00 36.10 C ATOM 1357 CG PHE B 748 -3.499 41.545 63.403 1.00 40.41 C ATOM 1358 CD1 PHE B 748 -2.606 41.778 64.457 1.00 40.02 C ATOM 1359 CD2 PHE B 748 -4.819 41.406 63.706 1.00 40.62 C ATOM 1360 CE1 PHE B 748 -3.039 41.837 65.780 1.00 37.99 C ATOM 1361 CE2 PHE B 748 -5.262 41.472 65.005 1.00 41.13 C ATOM 1362 CZ PHE B 748 -4.369 41.672 66.062 1.00 41.47 C ATOM 1363 H PHE B 748 -4.391 43.860 61.536 1.00 0.00 H ATOM 1364 N MET B 749 -2.704 43.845 59.279 1.00 40.23 N ATOM 1365 CA MET B 749 -2.732 43.779 57.798 1.00 41.43 C ATOM 1366 C MET B 749 -1.350 43.944 57.171 1.00 42.90 C ATOM 1367 O MET B 749 -1.065 43.354 56.170 1.00 42.67 O ATOM 1368 CB MET B 749 -3.735 44.837 57.232 1.00 42.34 C ATOM 1369 CG MET B 749 -5.165 44.503 57.586 1.00 49.14 C ATOM 1370 SD MET B 749 -5.749 43.001 56.781 1.00 50.81 S ATOM 1371 CE MET B 749 -5.632 43.487 55.047 1.00 51.38 C ATOM 1372 H MET B 749 -3.103 44.674 59.764 1.00 0.00 H ATOM 1373 N GLU B 750 -0.478 44.714 57.801 1.00 39.54 N ATOM 1374 CA GLU B 750 0.840 45.061 57.253 1.00 41.92 C ATOM 1375 C GLU B 750 1.857 45.109 58.377 1.00 41.42 C ATOM 1376 O GLU B 750 1.438 45.249 59.504 1.00 39.75 O ATOM 1377 CB GLU B 750 0.775 46.488 56.610 1.00 46.20 C ATOM 1378 CG GLU B 750 0.003 46.441 55.318 1.00 57.41 C ATOM 1379 CD GLU B 750 -0.147 47.786 54.642 1.00 69.48 C ATOM 1380 OE1 GLU B 750 0.649 48.734 54.882 1.00 69.06 O ATOM 1381 OE2 GLU B 750 -1.094 47.864 53.847 1.00 80.31 O ATOM 1382 H GLU B 750 -0.739 45.094 58.733 1.00 0.00 H ATOM 1383 N PRO B 751 3.179 45.055 58.058 1.00 41.16 N ATOM 1384 CA PRO B 751 4.226 45.185 59.081 1.00 46.73 C ATOM 1385 C PRO B 751 3.963 46.389 59.958 1.00 46.89 C ATOM 1386 O PRO B 751 3.629 47.460 59.504 1.00 48.16 O ATOM 1387 CB PRO B 751 5.523 45.344 58.262 1.00 50.29 C ATOM 1388 CG PRO B 751 5.215 44.534 56.981 1.00 48.48 C ATOM 1389 CD PRO B 751 3.759 44.777 56.729 1.00 47.39 C ATOM 1390 N VAL B 752 4.065 46.175 61.239 1.00 47.08 N ATOM 1391 CA VAL B 752 3.886 47.239 62.197 1.00 47.76 C ATOM 1392 C VAL B 752 4.807 48.397 61.839 1.00 53.58 C ATOM 1393 O VAL B 752 5.959 48.148 61.440 1.00 46.53 O ATOM 1394 CB VAL B 752 4.254 46.709 63.583 1.00 47.38 C ATOM 1395 CG1 VAL B 752 4.257 47.816 64.598 1.00 50.64 C ATOM 1396 CG2 VAL B 752 3.256 45.637 63.987 1.00 50.86 C ATOM 1397 H VAL B 752 4.280 45.216 61.579 1.00 0.00 H ATOM 1398 N LYS B 753 4.292 49.631 61.904 1.00 52.42 N ATOM 1399 CA LYS B 753 5.082 50.832 61.536 1.00 57.83 C ATOM 1400 C LYS B 753 5.755 51.421 62.798 1.00 55.90 C ATOM 1401 O LYS B 753 5.137 51.450 63.863 1.00 53.32 O ATOM 1402 CB LYS B 753 4.198 51.876 60.898 1.00 60.64 C ATOM 1403 CG LYS B 753 3.591 51.440 59.578 1.00 65.53 C ATOM 1404 CD LYS B 753 2.550 52.436 59.105 1.00 73.09 C ATOM 1405 CE LYS B 753 1.879 51.992 57.792 1.00 80.60 C ATOM 1406 NZ LYS B 753 1.658 50.506 57.609 1.00 80.89 N ATOM 1407 HZ1 LYS B 753 2.574 50.014 57.639 1.00 0.00 H ATOM 1408 HZ2 LYS B 753 1.048 50.151 58.373 1.00 0.00 H ATOM 1409 HZ3 LYS B 753 1.201 50.335 56.690 1.00 0.00 H ATOM 1410 H LYS B 753 3.309 49.751 62.222 1.00 0.00 H ATOM 1411 N ARG B 754 7.029 51.782 62.691 1.00 58.24 N ATOM 1412 CA ARG B 754 7.793 52.317 63.859 1.00 62.84 C ATOM 1413 C ARG B 754 7.121 53.577 64.360 1.00 65.62 C ATOM 1414 O ARG B 754 7.086 53.821 65.546 1.00 64.30 O ATOM 1415 CB ARG B 754 9.258 52.606 63.520 1.00 62.71 C ATOM 1416 CG ARG B 754 10.107 51.345 63.392 1.00 63.95 C ATOM 1417 CD ARG B 754 11.460 51.641 62.753 1.00 67.62 C ATOM 1418 NE ARG B 754 11.280 52.160 61.404 1.00 70.67 N ATOM 1419 CZ ARG B 754 12.234 52.257 60.493 1.00 78.63 C ATOM 1420 NH1 ARG B 754 13.479 51.904 60.804 1.00 86.02 N ATOM 1421 NH2 ARG B 754 11.948 52.738 59.280 1.00 70.47 N ATOM 1422 HE ARG B 754 10.327 52.479 61.136 1.00 0.00 H ATOM 1423 HH12 ARG B 754 14.234 51.978 60.092 1.00 0.00 H ATOM 1424 HH11 ARG B 754 13.697 51.554 61.759 1.00 0.00 H ATOM 1425 HH22 ARG B 754 12.696 52.815 58.562 1.00 0.00 H ATOM 1426 HH21 ARG B 754 10.977 53.035 59.054 1.00 0.00 H ATOM 1427 H ARG B 754 7.507 51.690 61.772 1.00 0.00 H ATOM 1428 N THR B 755 6.594 54.371 63.440 1.00 68.88 N ATOM 1429 CA THR B 755 5.769 55.528 63.772 1.00 81.47 C ATOM 1430 C THR B 755 4.753 55.217 64.846 1.00 76.74 C ATOM 1431 O THR B 755 4.587 55.968 65.792 1.00 82.06 O ATOM 1432 CB THR B 755 4.907 55.883 62.573 1.00 94.33 C ATOM 1433 OG1 THR B 755 5.679 55.721 61.381 1.00111.83 O ATOM 1434 CG2 THR B 755 4.410 57.292 62.682 1.00107.50 C ATOM 1435 HG1 THR B 755 5.123 55.951 60.595 1.00 0.00 H ATOM 1436 H THR B 755 6.776 54.161 62.438 1.00 0.00 H ATOM 1437 N GLU B 756 4.054 54.114 64.658 1.00 73.39 N ATOM 1438 CA GLU B 756 2.909 53.745 65.486 1.00 73.02 C ATOM 1439 C GLU B 756 3.280 52.871 66.655 1.00 73.51 C ATOM 1440 O GLU B 756 2.449 52.632 67.513 1.00 79.80 O ATOM 1441 CB GLU B 756 1.879 52.970 64.651 1.00 77.95 C ATOM 1442 CG GLU B 756 1.454 53.661 63.370 1.00 80.95 C ATOM 1443 CD GLU B 756 0.612 52.769 62.433 1.00 84.19 C ATOM 1444 OE1 GLU B 756 0.460 51.550 62.656 1.00 75.38 O ATOM 1445 OE2 GLU B 756 0.098 53.306 61.443 1.00 80.93 O ATOM 1446 H GLU B 756 4.331 53.477 63.884 1.00 0.00 H ATOM 1447 N ALA B 757 4.525 52.402 66.710 1.00 70.32 N ATOM 1448 CA ALA B 757 4.990 51.602 67.796 1.00 62.57 C ATOM 1449 C ALA B 757 6.544 51.731 67.861 1.00 70.75 C ATOM 1450 O ALA B 757 7.264 50.730 67.722 1.00 63.03 O ATOM 1451 CB ALA B 757 4.547 50.184 67.569 1.00 59.88 C ATOM 1452 H ALA B 757 5.181 52.627 65.935 1.00 0.00 H ATOM 1453 N PRO B 758 7.092 52.984 68.066 1.00 75.38 N ATOM 1454 CA PRO B 758 8.562 53.151 68.255 1.00 70.22 C ATOM 1455 C PRO B 758 9.058 52.111 69.332 1.00 74.67 C ATOM 1456 O PRO B 758 8.381 51.884 70.357 1.00 72.17 O ATOM 1457 CB PRO B 758 8.703 54.627 68.731 1.00 82.23 C ATOM 1458 CG PRO B 758 7.427 55.311 68.319 1.00 76.48 C ATOM 1459 CD PRO B 758 6.357 54.243 68.315 1.00 78.34 C ATOM 1460 N GLY B 759 10.159 51.419 69.052 1.00 73.46 N ATOM 1461 CA GLY B 759 10.631 50.318 69.934 1.00 71.40 C ATOM 1462 C GLY B 759 9.966 48.953 69.803 1.00 65.56 C ATOM 1463 O GLY B 759 10.275 47.988 70.529 1.00 66.44 O ATOM 1464 H GLY B 759 10.702 51.653 68.197 1.00 0.00 H ATOM 1465 N TYR B 760 9.028 48.843 68.867 1.00 64.21 N ATOM 1466 CA TYR B 760 8.406 47.554 68.583 1.00 54.47 C ATOM 1467 C TYR B 760 9.467 46.530 68.194 1.00 49.78 C ATOM 1468 O TYR B 760 9.505 45.418 68.729 1.00 49.22 O ATOM 1469 CB TYR B 760 7.378 47.688 67.439 1.00 54.75 C ATOM 1470 CG TYR B 760 6.636 46.418 67.162 1.00 52.52 C ATOM 1471 CD1 TYR B 760 7.073 45.514 66.195 1.00 49.38 C ATOM 1472 CD2 TYR B 760 5.505 46.087 67.895 1.00 52.14 C ATOM 1473 CE1 TYR B 760 6.363 44.335 65.966 1.00 47.11 C ATOM 1474 CE2 TYR B 760 4.790 44.922 67.645 1.00 50.11 C ATOM 1475 CZ TYR B 760 5.237 44.034 66.712 1.00 46.10 C ATOM 1476 OH TYR B 760 4.434 42.907 66.472 1.00 48.86 O ATOM 1477 HH TYR B 760 4.860 42.341 65.780 1.00 0.00 H ATOM 1478 H TYR B 760 8.734 49.685 68.332 1.00 0.00 H ATOM 1479 N TYR B 761 10.305 46.923 67.242 1.00 52.78 N ATOM 1480 CA TYR B 761 11.315 46.044 66.697 1.00 57.48 C ATOM 1481 C TYR B 761 12.486 45.828 67.655 1.00 66.48 C ATOM 1482 O TYR B 761 13.274 44.935 67.423 1.00 74.87 O ATOM 1483 CB TYR B 761 11.743 46.560 65.315 1.00 60.98 C ATOM 1484 CG TYR B 761 10.555 46.450 64.326 1.00 57.42 C ATOM 1485 CD1 TYR B 761 10.204 45.221 63.754 1.00 61.00 C ATOM 1486 CD2 TYR B 761 9.760 47.572 64.004 1.00 56.78 C ATOM 1487 CE1 TYR B 761 9.129 45.116 62.853 1.00 54.91 C ATOM 1488 CE2 TYR B 761 8.660 47.465 63.147 1.00 51.75 C ATOM 1489 CZ TYR B 761 8.344 46.236 62.567 1.00 54.72 C ATOM 1490 OH TYR B 761 7.240 46.126 61.693 1.00 49.39 O ATOM 1491 HH TYR B 761 6.413 46.382 62.174 1.00 0.00 H ATOM 1492 H TYR B 761 10.232 47.894 66.877 1.00 0.00 H ATOM 1493 N GLU B 762 12.571 46.591 68.748 1.00 70.78 N ATOM 1494 CA GLU B 762 13.523 46.216 69.831 1.00 88.47 C ATOM 1495 C GLU B 762 12.941 45.024 70.592 1.00 84.27 C ATOM 1496 O GLU B 762 13.657 44.089 70.916 1.00 94.88 O ATOM 1497 CB GLU B 762 13.857 47.371 70.815 1.00 90.86 C ATOM 1498 CG GLU B 762 14.092 48.771 70.221 1.00 93.35 C ATOM 1499 CD GLU B 762 14.769 48.785 68.855 1.00103.06 C ATOM 1500 OE1 GLU B 762 16.013 48.683 68.819 1.00107.68 O ATOM 1501 OE2 GLU B 762 14.064 48.917 67.813 1.00107.72 O ATOM 1502 H GLU B 762 11.978 47.440 68.842 1.00 0.00 H ATOM 1503 N VAL B 763 11.627 45.035 70.803 1.00 74.31 N ATOM 1504 CA VAL B 763 10.960 44.016 71.625 1.00 73.06 C ATOM 1505 C VAL B 763 10.545 42.716 70.865 1.00 66.99 C ATOM 1506 O VAL B 763 10.648 41.614 71.392 1.00 62.22 O ATOM 1507 CB VAL B 763 9.707 44.633 72.305 1.00 73.76 C ATOM 1508 CG1 VAL B 763 8.969 43.608 73.174 1.00 75.95 C ATOM 1509 CG2 VAL B 763 10.107 45.867 73.118 1.00 82.01 C ATOM 1510 H VAL B 763 11.054 45.789 70.372 1.00 0.00 H ATOM 1511 N ILE B 764 10.009 42.849 69.660 1.00 57.35 N ATOM 1512 CA ILE B 764 9.514 41.693 68.930 1.00 51.89 C ATOM 1513 C ILE B 764 10.545 41.239 67.944 1.00 54.40 C ATOM 1514 O ILE B 764 10.859 41.960 66.986 1.00 57.97 O ATOM 1515 CB ILE B 764 8.210 42.096 68.202 1.00 52.09 C ATOM 1516 CG1 ILE B 764 7.126 42.476 69.227 1.00 52.80 C ATOM 1517 CG2 ILE B 764 7.720 41.007 67.269 1.00 52.86 C ATOM 1518 CD1 ILE B 764 6.881 41.439 70.327 1.00 54.47 C ATOM 1519 H ILE B 764 9.942 43.794 69.231 1.00 0.00 H ATOM 1520 N ARG B 765 11.035 40.031 68.127 1.00 58.11 N ATOM 1521 CA ARG B 765 12.162 39.510 67.345 1.00 64.89 C ATOM 1522 C ARG B 765 11.744 38.786 66.111 1.00 59.56 C ATOM 1523 O ARG B 765 12.501 38.712 65.156 1.00 62.63 O ATOM 1524 CB ARG B 765 13.014 38.563 68.216 1.00 74.88 C ATOM 1525 CG ARG B 765 13.683 39.287 69.402 1.00 93.35 C ATOM 1526 CD ARG B 765 14.313 38.366 70.464 1.00103.87 C ATOM 1527 NE ARG B 765 15.760 38.149 70.274 1.00118.29 N ATOM 1528 CZ ARG B 765 16.297 37.243 69.453 1.00122.32 C ATOM 1529 NH1 ARG B 765 17.615 37.141 69.354 1.00131.29 N ATOM 1530 NH2 ARG B 765 15.527 36.444 68.723 1.00122.37 N ATOM 1531 HE ARG B 765 16.411 38.747 70.821 1.00 0.00 H ATOM 1532 HH12 ARG B 765 18.035 36.436 68.715 1.00 0.00 H ATOM 1533 HH11 ARG B 765 18.229 37.766 69.915 1.00 0.00 H ATOM 1534 HH22 ARG B 765 15.959 35.743 68.088 1.00 0.00 H ATOM 1535 HH21 ARG B 765 14.492 36.519 68.786 1.00 0.00 H ATOM 1536 H ARG B 765 10.607 39.423 68.854 1.00 0.00 H ATOM 1537 N PHE B 766 10.541 38.220 66.102 1.00 60.87 N ATOM 1538 CA PHE B 766 10.022 37.616 64.874 1.00 53.27 C ATOM 1539 C PHE B 766 8.699 38.286 64.450 1.00 51.84 C ATOM 1540 O PHE B 766 7.618 37.722 64.608 1.00 46.94 O ATOM 1541 CB PHE B 766 9.806 36.121 65.109 1.00 56.46 C ATOM 1542 CG PHE B 766 11.051 35.398 65.524 1.00 66.16 C ATOM 1543 CD1 PHE B 766 11.962 34.946 64.564 1.00 74.52 C ATOM 1544 CD2 PHE B 766 11.333 35.183 66.852 1.00 69.54 C ATOM 1545 CE1 PHE B 766 13.127 34.289 64.935 1.00 78.08 C ATOM 1546 CE2 PHE B 766 12.500 34.514 67.229 1.00 78.68 C ATOM 1547 CZ PHE B 766 13.403 34.082 66.269 1.00 75.38 C ATOM 1548 H PHE B 766 9.967 38.206 66.969 1.00 0.00 H ATOM 1549 N PRO B 767 8.779 39.471 63.859 1.00 51.04 N ATOM 1550 CA PRO B 767 7.571 40.139 63.356 1.00 50.64 C ATOM 1551 C PRO B 767 6.827 39.348 62.277 1.00 45.92 C ATOM 1552 O PRO B 767 7.418 38.639 61.489 1.00 45.85 O ATOM 1553 CB PRO B 767 8.086 41.468 62.786 1.00 55.25 C ATOM 1554 CG PRO B 767 9.581 41.296 62.674 1.00 58.29 C ATOM 1555 CD PRO B 767 10.002 40.243 63.642 1.00 54.10 C ATOM 1556 N MET B 768 5.508 39.415 62.295 1.00 43.32 N ATOM 1557 CA MET B 768 4.700 38.760 61.250 1.00 41.38 C ATOM 1558 C MET B 768 3.420 39.569 61.085 1.00 39.65 C ATOM 1559 O MET B 768 2.879 40.174 62.053 1.00 37.80 O ATOM 1560 CB MET B 768 4.374 37.286 61.633 1.00 40.28 C ATOM 1561 CG MET B 768 3.725 36.416 60.510 1.00 44.31 C ATOM 1562 SD MET B 768 4.492 36.538 58.895 1.00 45.69 S ATOM 1563 CE MET B 768 6.154 35.990 59.233 1.00 49.92 C ATOM 1564 H MET B 768 5.032 39.938 63.058 1.00 0.00 H ATOM 1565 N ASP B 769 2.874 39.524 59.880 1.00 38.64 N ATOM 1566 CA ASP B 769 1.680 40.237 59.521 1.00 37.55 C ATOM 1567 C ASP B 769 1.018 39.538 58.325 1.00 39.90 C ATOM 1568 O ASP B 769 1.605 38.671 57.691 1.00 39.85 O ATOM 1569 CB ASP B 769 2.015 41.643 59.126 1.00 37.77 C ATOM 1570 CG ASP B 769 2.897 41.690 57.932 1.00 41.99 C ATOM 1571 OD1 ASP B 769 4.135 41.555 58.081 1.00 43.77 O ATOM 1572 OD2 ASP B 769 2.384 41.813 56.795 1.00 46.90 O ATOM 1573 H ASP B 769 3.335 38.940 59.153 1.00 0.00 H ATOM 1574 N LEU B 770 -0.217 39.913 58.047 1.00 36.46 N ATOM 1575 CA LEU B 770 -0.987 39.180 57.016 1.00 39.19 C ATOM 1576 C LEU B 770 -0.539 39.445 55.551 1.00 38.79 C ATOM 1577 O LEU B 770 -0.828 38.675 54.670 1.00 40.55 O ATOM 1578 CB LEU B 770 -2.449 39.531 57.179 1.00 37.76 C ATOM 1579 CG LEU B 770 -3.030 39.150 58.569 1.00 41.52 C ATOM 1580 CD1 LEU B 770 -4.463 39.675 58.754 1.00 43.47 C ATOM 1581 CD2 LEU B 770 -2.983 37.686 58.795 1.00 39.90 C ATOM 1582 H LEU B 770 -0.646 40.717 58.548 1.00 0.00 H ATOM 1583 N LYS B 771 0.045 40.607 55.295 1.00 44.41 N ATOM 1584 CA LYS B 771 0.624 40.895 53.988 1.00 46.11 C ATOM 1585 C LYS B 771 1.846 40.010 53.742 1.00 46.13 C ATOM 1586 O LYS B 771 1.994 39.399 52.683 1.00 45.83 O ATOM 1587 CB LYS B 771 1.018 42.348 53.865 1.00 45.68 C ATOM 1588 CG LYS B 771 1.665 42.669 52.491 1.00 53.71 C ATOM 1589 CD LYS B 771 2.275 44.044 52.478 1.00 70.63 C ATOM 1590 CE LYS B 771 1.582 44.966 51.492 1.00 82.45 C ATOM 1591 NZ LYS B 771 2.378 46.222 51.430 1.00 91.41 N ATOM 1592 HZ1 LYS B 771 2.413 46.656 52.375 1.00 0.00 H ATOM 1593 HZ2 LYS B 771 3.344 46.004 51.111 1.00 0.00 H ATOM 1594 HZ3 LYS B 771 1.931 46.881 50.761 1.00 0.00 H ATOM 1595 H LYS B 771 0.091 41.329 56.042 1.00 0.00 H ATOM 1596 N THR B 772 2.733 39.947 54.717 1.00 42.21 N ATOM 1597 CA THR B 772 3.828 39.019 54.634 1.00 43.87 C ATOM 1598 C THR B 772 3.296 37.608 54.426 1.00 44.92 C ATOM 1599 O THR B 772 3.840 36.898 53.590 1.00 46.04 O ATOM 1600 CB THR B 772 4.674 39.067 55.885 1.00 45.67 C ATOM 1601 OG1 THR B 772 5.182 40.402 56.025 1.00 42.51 O ATOM 1602 CG2 THR B 772 5.782 38.093 55.817 1.00 47.91 C ATOM 1603 HG1 THR B 772 4.425 41.036 56.099 1.00 0.00 H ATOM 1604 H THR B 772 2.640 40.569 55.546 1.00 0.00 H ATOM 1605 N MET B 773 2.244 37.199 55.142 1.00 42.76 N ATOM 1606 CA MET B 773 1.691 35.853 54.912 1.00 46.27 C ATOM 1607 C MET B 773 1.159 35.670 53.476 1.00 45.39 C ATOM 1608 O MET B 773 1.287 34.588 52.892 1.00 46.23 O ATOM 1609 CB MET B 773 0.617 35.483 55.904 1.00 46.51 C ATOM 1610 CG MET B 773 1.134 35.355 57.344 1.00 48.63 C ATOM 1611 SD MET B 773 -0.007 34.587 58.518 1.00 46.37 S ATOM 1612 CE MET B 773 -0.344 33.003 57.737 1.00 47.99 C ATOM 1613 H MET B 773 1.820 37.826 55.855 1.00 0.00 H ATOM 1614 N SER B 774 0.522 36.698 52.938 1.00 48.87 N ATOM 1615 CA SER B 774 -0.003 36.652 51.547 1.00 51.52 C ATOM 1616 C SER B 774 1.120 36.429 50.545 1.00 51.19 C ATOM 1617 O SER B 774 1.000 35.635 49.651 1.00 54.12 O ATOM 1618 CB SER B 774 -0.753 37.946 51.229 1.00 52.33 C ATOM 1619 OG SER B 774 -1.949 37.978 51.979 1.00 52.18 O ATOM 1620 HG SER B 774 -1.733 37.945 52.945 1.00 0.00 H ATOM 1621 H SER B 774 0.385 37.561 53.503 1.00 0.00 H ATOM 1622 N GLU B 775 2.233 37.096 50.771 1.00 46.39 N ATOM 1623 CA GLU B 775 3.394 36.952 49.944 1.00 51.92 C ATOM 1624 C GLU B 775 4.019 35.575 50.083 1.00 55.29 C ATOM 1625 O GLU B 775 4.363 34.946 49.046 1.00 54.10 O ATOM 1626 CB GLU B 775 4.447 38.034 50.256 1.00 51.22 C ATOM 1627 CG GLU B 775 4.019 39.430 49.803 1.00 52.92 C ATOM 1628 CD GLU B 775 3.872 39.515 48.259 1.00 62.13 C ATOM 1629 OE1 GLU B 775 4.815 39.138 47.534 1.00 70.02 O ATOM 1630 OE2 GLU B 775 2.827 39.922 47.741 1.00 62.21 O ATOM 1631 H GLU B 775 2.270 37.750 51.578 1.00 0.00 H ATOM 1632 N ARG B 776 4.194 35.115 51.330 1.00 46.55 N ATOM 1633 CA ARG B 776 4.702 33.776 51.584 1.00 49.69 C ATOM 1634 C ARG B 776 3.857 32.708 50.906 1.00 55.10 C ATOM 1635 O ARG B 776 4.375 31.765 50.313 1.00 59.76 O ATOM 1636 CB ARG B 776 4.748 33.495 53.051 1.00 49.81 C ATOM 1637 CG ARG B 776 5.899 34.246 53.709 1.00 50.97 C ATOM 1638 CD ARG B 776 6.000 33.906 55.173 1.00 48.40 C ATOM 1639 NE ARG B 776 7.242 34.449 55.669 1.00 47.99 N ATOM 1640 CZ ARG B 776 7.864 34.019 56.757 1.00 48.55 C ATOM 1641 NH1 ARG B 776 7.354 33.059 57.488 1.00 49.72 N ATOM 1642 NH2 ARG B 776 9.043 34.538 57.087 1.00 50.34 N ATOM 1643 HE ARG B 776 7.677 35.229 55.137 1.00 0.00 H ATOM 1644 HH12 ARG B 776 7.854 32.732 58.339 1.00 0.00 H ATOM 1645 HH11 ARG B 776 6.449 32.624 57.217 1.00 0.00 H ATOM 1646 HH22 ARG B 776 9.537 34.206 57.940 1.00 0.00 H ATOM 1647 HH21 ARG B 776 9.471 35.276 56.493 1.00 0.00 H ATOM 1648 H ARG B 776 3.961 35.730 52.135 1.00 0.00 H ATOM 1649 N LEU B 777 2.546 32.892 50.951 1.00 57.01 N ATOM 1650 CA LEU B 777 1.656 31.964 50.329 1.00 55.79 C ATOM 1651 C LEU B 777 1.837 31.941 48.785 1.00 62.42 C ATOM 1652 O LEU B 777 1.941 30.889 48.159 1.00 63.08 O ATOM 1653 CB LEU B 777 0.235 32.351 50.665 1.00 55.41 C ATOM 1654 CG LEU B 777 -0.849 31.574 49.896 1.00 56.08 C ATOM 1655 CD1 LEU B 777 -0.907 30.172 50.460 1.00 57.98 C ATOM 1656 CD2 LEU B 777 -2.179 32.265 50.105 1.00 57.75 C ATOM 1657 H LEU B 777 2.160 33.722 51.445 1.00 0.00 H ATOM 1658 N LYS B 778 1.794 33.123 48.203 1.00 62.62 N ATOM 1659 CA LYS B 778 2.037 33.323 46.799 1.00 67.30 C ATOM 1660 C LYS B 778 3.399 32.753 46.378 1.00 64.91 C ATOM 1661 O LYS B 778 3.513 32.120 45.358 1.00 65.59 O ATOM 1662 CB LYS B 778 1.943 34.804 46.533 1.00 66.48 C ATOM 1663 CG LYS B 778 2.324 35.185 45.142 1.00 76.65 C ATOM 1664 CD LYS B 778 2.048 36.659 44.912 1.00 85.71 C ATOM 1665 CE LYS B 778 2.706 37.116 43.627 1.00 92.24 C ATOM 1666 NZ LYS B 778 2.350 38.527 43.351 1.00100.55 N ATOM 1667 HZ1 LYS B 778 1.318 38.611 43.257 1.00 0.00 H ATOM 1668 HZ2 LYS B 778 2.677 39.126 44.136 1.00 0.00 H ATOM 1669 HZ3 LYS B 778 2.806 38.832 42.467 1.00 0.00 H ATOM 1670 H LYS B 778 1.573 33.954 48.789 1.00 0.00 H ATOM 1671 N ASN B 779 4.413 32.933 47.206 1.00 61.91 N ATOM 1672 CA ASN B 779 5.729 32.346 46.961 1.00 62.98 C ATOM 1673 C ASN B 779 5.838 30.830 47.260 1.00 62.12 C ATOM 1674 O ASN B 779 6.939 30.299 47.280 1.00 60.72 O ATOM 1675 CB ASN B 779 6.777 33.094 47.780 1.00 61.84 C ATOM 1676 CG ASN B 779 7.044 34.485 47.259 1.00 63.86 C ATOM 1677 OD1 ASN B 779 6.813 34.772 46.092 1.00 59.27 O ATOM 1678 ND2 ASN B 779 7.579 35.360 48.131 1.00 64.46 N ATOM 1679 HD22 ASN B 779 7.758 35.071 49.114 1.00 0.00 H ATOM 1680 HD21 ASN B 779 7.813 36.325 47.822 1.00 0.00 H ATOM 1681 H ASN B 779 4.270 33.511 48.059 1.00 0.00 H ATOM 1682 N ARG B 780 4.730 30.163 47.548 1.00 63.07 N ATOM 1683 CA ARG B 780 4.695 28.699 47.816 1.00 69.36 C ATOM 1684 C ARG B 780 5.472 28.216 49.047 1.00 69.75 C ATOM 1685 O ARG B 780 5.963 27.095 49.115 1.00 67.54 O ATOM 1686 CB ARG B 780 5.134 27.920 46.584 1.00 76.82 C ATOM 1687 CG ARG B 780 4.266 28.217 45.376 1.00 80.76 C ATOM 1688 CD ARG B 780 2.917 27.581 45.568 1.00 85.15 C ATOM 1689 NE ARG B 780 1.978 27.956 44.526 1.00 91.19 N ATOM 1690 CZ ARG B 780 0.970 27.184 44.121 1.00 93.59 C ATOM 1691 NH1 ARG B 780 0.769 25.974 44.640 1.00 87.60 N ATOM 1692 NH2 ARG B 780 0.159 27.622 43.181 1.00104.13 N ATOM 1693 HE ARG B 780 2.099 28.882 44.069 1.00 0.00 H ATOM 1694 HH12 ARG B 780 -0.025 25.391 44.307 1.00 0.00 H ATOM 1695 HH11 ARG B 780 1.406 25.612 45.378 1.00 0.00 H ATOM 1696 HH22 ARG B 780 -0.631 27.028 42.857 1.00 0.00 H ATOM 1697 HH21 ARG B 780 0.308 28.562 42.762 1.00 0.00 H ATOM 1698 H ARG B 780 3.835 30.691 47.589 1.00 0.00 H ATOM 1699 N TYR B 781 5.549 29.075 50.041 1.00 64.30 N ATOM 1700 CA TYR B 781 6.194 28.703 51.257 1.00 61.10 C ATOM 1701 C TYR B 781 5.344 27.719 52.078 1.00 60.23 C ATOM 1702 O TYR B 781 5.873 26.838 52.770 1.00 63.31 O ATOM 1703 CB TYR B 781 6.452 29.961 52.047 1.00 56.68 C ATOM 1704 CG TYR B 781 6.987 29.719 53.401 1.00 54.65 C ATOM 1705 CD1 TYR B 781 8.276 29.257 53.586 1.00 57.52 C ATOM 1706 CD2 TYR B 781 6.212 30.013 54.511 1.00 60.76 C ATOM 1707 CE1 TYR B 781 8.800 29.068 54.864 1.00 60.76 C ATOM 1708 CE2 TYR B 781 6.708 29.833 55.792 1.00 60.47 C ATOM 1709 CZ TYR B 781 8.008 29.361 55.949 1.00 60.42 C ATOM 1710 OH TYR B 781 8.464 29.190 57.196 1.00 60.60 O ATOM 1711 HH TYR B 781 9.394 28.853 57.163 1.00 0.00 H ATOM 1712 H TYR B 781 5.139 30.025 49.940 1.00 0.00 H ATOM 1713 N TYR B 782 4.030 27.859 52.029 1.00 60.14 N ATOM 1714 CA TYR B 782 3.191 27.084 52.952 1.00 58.92 C ATOM 1715 C TYR B 782 2.928 25.664 52.401 1.00 63.33 C ATOM 1716 O TYR B 782 1.838 25.347 51.958 1.00 64.78 O ATOM 1717 CB TYR B 782 1.900 27.842 53.298 1.00 56.93 C ATOM 1718 CG TYR B 782 2.146 29.122 54.032 1.00 53.22 C ATOM 1719 CD1 TYR B 782 2.815 29.119 55.252 1.00 53.72 C ATOM 1720 CD2 TYR B 782 1.691 30.337 53.541 1.00 52.99 C ATOM 1721 CE1 TYR B 782 3.047 30.299 55.949 1.00 49.10 C ATOM 1722 CE2 TYR B 782 1.945 31.529 54.225 1.00 51.04 C ATOM 1723 CZ TYR B 782 2.623 31.485 55.429 1.00 49.04 C ATOM 1724 OH TYR B 782 2.882 32.618 56.103 1.00 48.20 O ATOM 1725 HH TYR B 782 3.371 32.401 56.936 1.00 0.00 H ATOM 1726 H TYR B 782 3.596 28.511 51.345 1.00 0.00 H ATOM 1727 N VAL B 783 3.957 24.820 52.472 1.00 65.68 N ATOM 1728 CA VAL B 783 3.863 23.438 52.040 1.00 69.88 C ATOM 1729 C VAL B 783 3.147 22.528 53.057 1.00 69.87 C ATOM 1730 O VAL B 783 2.910 21.394 52.756 1.00 71.04 O ATOM 1731 CB VAL B 783 5.251 22.855 51.619 1.00 74.23 C ATOM 1732 CG1 VAL B 783 5.837 23.665 50.458 1.00 75.50 C ATOM 1733 CG2 VAL B 783 6.237 22.813 52.779 1.00 74.03 C ATOM 1734 H VAL B 783 4.862 25.165 52.851 1.00 0.00 H ATOM 1735 N SER B 784 2.807 23.029 54.242 1.00 64.88 N ATOM 1736 CA SER B 784 2.059 22.270 55.245 1.00 63.56 C ATOM 1737 C SER B 784 1.175 23.197 56.073 1.00 62.00 C ATOM 1738 O SER B 784 1.413 24.404 56.159 1.00 60.06 O ATOM 1739 CB SER B 784 3.011 21.561 56.221 1.00 67.73 C ATOM 1740 OG SER B 784 3.728 22.517 57.014 1.00 69.02 O ATOM 1741 HG SER B 784 3.085 23.062 57.533 1.00 0.00 H ATOM 1742 H SER B 784 3.086 24.006 54.466 1.00 0.00 H ATOM 1743 N LYS B 785 0.194 22.599 56.704 1.00 61.68 N ATOM 1744 CA LYS B 785 -0.716 23.276 57.598 1.00 63.72 C ATOM 1745 C LYS B 785 0.088 23.873 58.754 1.00 64.35 C ATOM 1746 O LYS B 785 -0.135 25.013 59.124 1.00 63.85 O ATOM 1747 CB LYS B 785 -1.833 22.344 58.156 1.00 65.57 C ATOM 1748 CG LYS B 785 -2.131 22.507 59.652 1.00 69.91 C ATOM 1749 CD LYS B 785 -3.323 21.672 60.143 1.00 76.50 C ATOM 1750 CE LYS B 785 -3.720 22.043 61.571 1.00 72.60 C ATOM 1751 NZ LYS B 785 -5.091 21.642 61.950 1.00 72.96 N ATOM 1752 HZ1 LYS B 785 -5.774 22.104 61.316 1.00 0.00 H ATOM 1753 HZ2 LYS B 785 -5.184 20.609 61.868 1.00 0.00 H ATOM 1754 HZ3 LYS B 785 -5.277 21.931 62.932 1.00 0.00 H ATOM 1755 H LYS B 785 0.063 21.578 56.552 1.00 0.00 H ATOM 1756 N LYS B 786 1.022 23.110 59.301 1.00 63.90 N ATOM 1757 CA LYS B 786 1.755 23.581 60.462 1.00 67.96 C ATOM 1758 C LYS B 786 2.613 24.823 60.186 1.00 63.64 C ATOM 1759 O LYS B 786 2.748 25.623 61.102 1.00 60.67 O ATOM 1760 CB LYS B 786 2.553 22.478 61.160 1.00 73.09 C ATOM 1761 CG LYS B 786 3.806 22.123 60.451 1.00 81.87 C ATOM 1762 CD LYS B 786 4.445 20.913 61.085 1.00 92.69 C ATOM 1763 CE LYS B 786 5.868 20.783 60.573 1.00103.25 C ATOM 1764 NZ LYS B 786 6.283 19.357 60.411 1.00109.55 N ATOM 1765 HZ1 LYS B 786 6.225 18.874 61.330 1.00 0.00 H ATOM 1766 HZ2 LYS B 786 5.651 18.888 59.731 1.00 0.00 H ATOM 1767 HZ3 LYS B 786 7.261 19.320 60.060 1.00 0.00 H ATOM 1768 H LYS B 786 1.230 22.174 58.899 1.00 0.00 H ATOM 1769 N LEU B 787 3.155 25.018 58.971 1.00 64.16 N ATOM 1770 CA LEU B 787 3.872 26.283 58.637 1.00 62.91 C ATOM 1771 C LEU B 787 2.887 27.449 58.629 1.00 59.52 C ATOM 1772 O LEU B 787 3.193 28.500 59.152 1.00 50.94 O ATOM 1773 CB LEU B 787 4.610 26.242 57.291 1.00 65.19 C ATOM 1774 CG LEU B 787 5.873 25.378 57.299 1.00 70.44 C ATOM 1775 CD1 LEU B 787 6.416 25.116 55.894 1.00 73.71 C ATOM 1776 CD2 LEU B 787 6.946 25.996 58.176 1.00 70.09 C ATOM 1777 H LEU B 787 3.073 24.273 58.250 1.00 0.00 H ATOM 1778 N PHE B 788 1.701 27.249 58.059 1.00 54.53 N ATOM 1779 CA PHE B 788 0.729 28.344 57.987 1.00 54.82 C ATOM 1780 C PHE B 788 0.255 28.733 59.390 1.00 54.32 C ATOM 1781 O PHE B 788 0.186 29.902 59.732 1.00 51.51 O ATOM 1782 CB PHE B 788 -0.421 27.901 57.109 1.00 59.46 C ATOM 1783 CG PHE B 788 -1.457 28.952 56.864 1.00 54.89 C ATOM 1784 CD1 PHE B 788 -1.321 29.871 55.847 1.00 53.65 C ATOM 1785 CD2 PHE B 788 -2.614 28.955 57.597 1.00 56.78 C ATOM 1786 CE1 PHE B 788 -2.306 30.825 55.601 1.00 52.45 C ATOM 1787 CE2 PHE B 788 -3.599 29.889 57.363 1.00 54.39 C ATOM 1788 CZ PHE B 788 -3.443 30.833 56.379 1.00 54.90 C ATOM 1789 H PHE B 788 1.464 26.316 57.665 1.00 0.00 H ATOM 1790 N MET B 789 -0.049 27.739 60.190 1.00 50.73 N ATOM 1791 CA MET B 789 -0.498 27.943 61.545 1.00 56.73 C ATOM 1792 C MET B 789 0.561 28.649 62.370 1.00 52.24 C ATOM 1793 O MET B 789 0.227 29.444 63.220 1.00 46.10 O ATOM 1794 CB MET B 789 -0.770 26.618 62.247 1.00 62.17 C ATOM 1795 CG MET B 789 -1.748 25.688 61.534 1.00 70.59 C ATOM 1796 SD MET B 789 -3.430 26.127 61.865 1.00 71.33 S ATOM 1797 CE MET B 789 -3.559 25.907 63.643 1.00 69.28 C ATOM 1798 H MET B 789 0.037 26.766 59.833 1.00 0.00 H ATOM 1799 N ALA B 790 1.827 28.318 62.167 1.00 51.00 N ATOM 1800 CA ALA B 790 2.871 28.951 62.975 1.00 52.28 C ATOM 1801 C ALA B 790 2.984 30.464 62.643 1.00 49.40 C ATOM 1802 O ALA B 790 3.151 31.284 63.551 1.00 49.43 O ATOM 1803 CB ALA B 790 4.223 28.239 62.783 1.00 55.02 C ATOM 1804 H ALA B 790 2.077 27.616 61.441 1.00 0.00 H ATOM 1805 N ASP B 791 2.858 30.829 61.363 1.00 47.97 N ATOM 1806 CA ASP B 791 2.905 32.251 60.966 1.00 44.79 C ATOM 1807 C ASP B 791 1.723 33.008 61.522 1.00 47.08 C ATOM 1808 O ASP B 791 1.888 34.050 62.186 1.00 41.55 O ATOM 1809 CB ASP B 791 3.014 32.416 59.457 1.00 45.58 C ATOM 1810 CG ASP B 791 4.450 32.198 58.953 1.00 47.90 C ATOM 1811 OD1 ASP B 791 5.337 31.947 59.786 1.00 45.49 O ATOM 1812 OD2 ASP B 791 4.702 32.254 57.755 1.00 47.42 O ATOM 1813 H ASP B 791 2.725 30.099 60.634 1.00 0.00 H ATOM 1814 N LEU B 792 0.524 32.463 61.360 1.00 47.48 N ATOM 1815 CA LEU B 792 -0.625 33.190 61.847 1.00 43.32 C ATOM 1816 C LEU B 792 -0.625 33.261 63.360 1.00 41.53 C ATOM 1817 O LEU B 792 -0.927 34.295 63.958 1.00 41.95 O ATOM 1818 CB LEU B 792 -1.902 32.601 61.277 1.00 47.01 C ATOM 1819 CG LEU B 792 -3.247 33.355 61.313 1.00 51.91 C ATOM 1820 CD1 LEU B 792 -3.122 34.824 61.308 1.00 51.37 C ATOM 1821 CD2 LEU B 792 -4.080 32.924 60.095 1.00 61.33 C ATOM 1822 H LEU B 792 0.415 31.539 60.896 1.00 0.00 H ATOM 1823 N GLN B 793 -0.224 32.197 64.025 1.00 44.47 N ATOM 1824 CA GLN B 793 -0.187 32.214 65.472 1.00 43.47 C ATOM 1825 C GLN B 793 0.829 33.249 65.993 1.00 40.69 C ATOM 1826 O GLN B 793 0.584 33.931 66.983 1.00 44.83 O ATOM 1827 CB GLN B 793 0.123 30.808 66.041 1.00 48.43 C ATOM 1828 CG GLN B 793 -0.311 30.666 67.500 1.00 51.75 C ATOM 1829 CD GLN B 793 -1.841 30.891 67.684 1.00 55.03 C ATOM 1830 OE1 GLN B 793 -2.677 30.425 66.878 1.00 57.03 O ATOM 1831 NE2 GLN B 793 -2.195 31.685 68.685 1.00 53.01 N ATOM 1832 HE22 GLN B 793 -1.473 32.054 69.336 1.00 0.00 H ATOM 1833 HE21 GLN B 793 -3.195 31.939 68.819 1.00 0.00 H ATOM 1834 H GLN B 793 0.067 31.342 63.509 1.00 0.00 H ATOM 1835 N ARG B 794 1.948 33.387 65.325 1.00 41.79 N ATOM 1836 CA ARG B 794 2.967 34.393 65.627 1.00 44.65 C ATOM 1837 C ARG B 794 2.390 35.812 65.581 1.00 46.80 C ATOM 1838 O ARG B 794 2.741 36.676 66.407 1.00 43.98 O ATOM 1839 CB ARG B 794 4.145 34.271 64.660 1.00 47.51 C ATOM 1840 CG ARG B 794 5.272 35.309 64.823 1.00 53.64 C ATOM 1841 CD ARG B 794 5.970 35.120 66.169 1.00 55.39 C ATOM 1842 NE ARG B 794 6.885 34.020 66.075 1.00 58.49 N ATOM 1843 CZ ARG B 794 7.590 33.543 67.096 1.00 59.21 C ATOM 1844 NH1 ARG B 794 7.505 34.090 68.306 1.00 58.92 N ATOM 1845 NH2 ARG B 794 8.414 32.552 66.872 1.00 60.83 N ATOM 1846 HE ARG B 794 7.005 33.566 65.147 1.00 0.00 H ATOM 1847 HH12 ARG B 794 8.065 33.703 69.092 1.00 0.00 H ATOM 1848 HH11 ARG B 794 6.879 34.905 68.465 1.00 0.00 H ATOM 1849 HH22 ARG B 794 8.978 32.159 67.652 1.00 0.00 H ATOM 1850 HH21 ARG B 794 8.505 32.158 65.914 1.00 0.00 H ATOM 1851 H ARG B 794 2.123 32.740 64.530 1.00 0.00 H ATOM 1852 N VAL B 795 1.475 36.066 64.654 1.00 43.08 N ATOM 1853 CA VAL B 795 0.856 37.388 64.580 1.00 40.27 C ATOM 1854 C VAL B 795 0.164 37.633 65.927 1.00 40.83 C ATOM 1855 O VAL B 795 0.212 38.757 66.527 1.00 39.02 O ATOM 1856 CB VAL B 795 -0.210 37.416 63.442 1.00 38.63 C ATOM 1857 CG1 VAL B 795 -1.014 38.662 63.485 1.00 37.36 C ATOM 1858 CG2 VAL B 795 0.419 37.219 62.064 1.00 39.36 C ATOM 1859 H VAL B 795 1.198 35.324 63.980 1.00 0.00 H ATOM 1860 N PHE B 796 -0.518 36.601 66.402 1.00 40.02 N ATOM 1861 CA PHE B 796 -1.292 36.753 67.657 1.00 42.63 C ATOM 1862 C PHE B 796 -0.431 36.815 68.893 1.00 42.20 C ATOM 1863 O PHE B 796 -0.708 37.656 69.731 1.00 41.09 O ATOM 1864 CB PHE B 796 -2.370 35.730 67.853 1.00 44.25 C ATOM 1865 CG PHE B 796 -3.344 35.637 66.682 1.00 44.33 C ATOM 1866 CD1 PHE B 796 -3.894 36.750 66.119 1.00 45.64 C ATOM 1867 CD2 PHE B 796 -3.717 34.387 66.193 1.00 45.75 C ATOM 1868 CE1 PHE B 796 -4.770 36.644 65.016 1.00 49.61 C ATOM 1869 CE2 PHE B 796 -4.591 34.275 65.121 1.00 47.40 C ATOM 1870 CZ PHE B 796 -5.117 35.410 64.541 1.00 44.15 C ATOM 1871 H PHE B 796 -0.510 35.691 65.898 1.00 0.00 H ATOM 1872 N THR B 797 0.655 36.046 68.942 1.00 42.80 N ATOM 1873 CA THR B 797 1.536 36.029 70.108 1.00 45.12 C ATOM 1874 C THR B 797 2.401 37.280 70.161 1.00 46.88 C ATOM 1875 O THR B 797 2.623 37.844 71.241 1.00 44.58 O ATOM 1876 CB THR B 797 2.393 34.743 70.200 1.00 51.14 C ATOM 1877 OG1 THR B 797 3.306 34.660 69.085 1.00 52.89 O ATOM 1878 CG2 THR B 797 1.491 33.506 70.188 1.00 49.18 C ATOM 1879 HG1 THR B 797 3.906 35.447 69.092 1.00 0.00 H ATOM 1880 H THR B 797 0.883 35.440 68.128 1.00 0.00 H ATOM 1881 N ASN B 798 2.791 37.805 69.008 1.00 42.64 N ATOM 1882 CA ASN B 798 3.420 39.131 68.989 1.00 42.79 C ATOM 1883 C ASN B 798 2.483 40.176 69.603 1.00 43.88 C ATOM 1884 O ASN B 798 2.885 40.962 70.476 1.00 42.43 O ATOM 1885 CB ASN B 798 3.810 39.547 67.602 1.00 42.31 C ATOM 1886 CG ASN B 798 4.956 38.756 67.085 1.00 43.34 C ATOM 1887 OD1 ASN B 798 5.584 38.039 67.827 1.00 48.21 O ATOM 1888 ND2 ASN B 798 5.246 38.895 65.820 1.00 43.26 N ATOM 1889 HD22 ASN B 798 4.674 39.525 65.222 1.00 0.00 H ATOM 1890 HD21 ASN B 798 6.049 38.376 65.410 1.00 0.00 H ATOM 1891 H ASN B 798 2.652 37.280 68.121 1.00 0.00 H ATOM 1892 N CYS B 799 1.241 40.172 69.166 1.00 42.61 N ATOM 1893 CA CYS B 799 0.292 41.145 69.647 1.00 40.35 C ATOM 1894 C CYS B 799 0.132 41.034 71.183 1.00 44.91 C ATOM 1895 O CYS B 799 0.190 42.055 71.915 1.00 41.97 O ATOM 1896 CB CYS B 799 -1.008 40.992 68.906 1.00 42.05 C ATOM 1897 SG CYS B 799 -2.208 42.226 69.383 1.00 44.70 S ATOM 1898 H CYS B 799 0.942 39.461 68.468 1.00 0.00 H ATOM 1899 N LYS B 800 0.029 39.818 71.693 1.00 44.80 N ATOM 1900 CA LYS B 800 -0.195 39.608 73.144 1.00 44.67 C ATOM 1901 C LYS B 800 1.062 39.817 74.015 1.00 46.74 C ATOM 1902 O LYS B 800 0.981 40.248 75.136 1.00 52.72 O ATOM 1903 CB LYS B 800 -0.778 38.243 73.343 1.00 46.32 C ATOM 1904 CG LYS B 800 -2.151 38.118 72.736 1.00 44.77 C ATOM 1905 CD LYS B 800 -2.476 36.626 72.713 1.00 47.16 C ATOM 1906 CE LYS B 800 -3.883 36.427 72.269 1.00 48.22 C ATOM 1907 NZ LYS B 800 -4.166 34.977 72.133 1.00 51.99 N ATOM 1908 HZ1 LYS B 800 -3.521 34.564 71.430 1.00 0.00 H ATOM 1909 HZ2 LYS B 800 -4.025 34.510 73.051 1.00 0.00 H ATOM 1910 HZ3 LYS B 800 -5.150 34.845 71.823 1.00 0.00 H ATOM 1911 H LYS B 800 0.107 38.993 71.064 1.00 0.00 H ATOM 1912 N GLU B 801 2.228 39.554 73.455 1.00 49.62 N ATOM 1913 CA GLU B 801 3.477 39.949 74.065 1.00 50.65 C ATOM 1914 C GLU B 801 3.618 41.474 74.141 1.00 52.80 C ATOM 1915 O GLU B 801 4.118 41.973 75.137 1.00 50.01 O ATOM 1916 CB GLU B 801 4.692 39.386 73.313 1.00 53.13 C ATOM 1917 CG GLU B 801 4.953 37.859 73.456 1.00 61.90 C ATOM 1918 CD GLU B 801 6.091 37.343 72.540 1.00 69.60 C ATOM 1919 OE1 GLU B 801 7.074 38.088 72.310 1.00 81.93 O ATOM 1920 OE2 GLU B 801 6.016 36.210 72.009 1.00 66.00 O ATOM 1921 H GLU B 801 2.248 39.047 72.547 1.00 0.00 H ATOM 1922 N TYR B 802 3.268 42.220 73.070 1.00 49.43 N ATOM 1923 CA TYR B 802 3.561 43.642 73.020 1.00 49.65 C ATOM 1924 C TYR B 802 2.544 44.467 73.780 1.00 49.60 C ATOM 1925 O TYR B 802 2.913 45.459 74.374 1.00 50.65 O ATOM 1926 CB TYR B 802 3.687 44.180 71.569 1.00 50.11 C ATOM 1927 CG TYR B 802 4.198 45.606 71.425 1.00 52.32 C ATOM 1928 CD1 TYR B 802 5.539 45.936 71.705 1.00 55.27 C ATOM 1929 CD2 TYR B 802 3.352 46.638 71.033 1.00 54.86 C ATOM 1930 CE1 TYR B 802 6.006 47.243 71.576 1.00 59.42 C ATOM 1931 CE2 TYR B 802 3.815 47.955 70.938 1.00 55.90 C ATOM 1932 CZ TYR B 802 5.138 48.250 71.188 1.00 56.51 C ATOM 1933 OH TYR B 802 5.598 49.549 71.068 1.00 70.20 O ATOM 1934 HH TYR B 802 5.456 49.864 70.140 1.00 0.00 H ATOM 1935 H TYR B 802 2.781 41.769 72.269 1.00 0.00 H ATOM 1936 N ASN B 803 1.269 44.127 73.653 1.00 47.01 N ATOM 1937 CA ASN B 803 0.171 44.951 74.145 1.00 47.83 C ATOM 1938 C ASN B 803 -0.435 44.456 75.468 1.00 52.09 C ATOM 1939 O ASN B 803 -0.500 43.266 75.675 1.00 51.10 O ATOM 1940 CB ASN B 803 -0.910 44.980 73.082 1.00 47.21 C ATOM 1941 CG ASN B 803 -0.400 45.558 71.800 1.00 46.21 C ATOM 1942 OD1 ASN B 803 -0.158 46.776 71.732 1.00 49.45 O ATOM 1943 ND2 ASN B 803 -0.142 44.711 70.814 1.00 45.19 N ATOM 1944 HD22 ASN B 803 -0.365 43.701 70.924 1.00 0.00 H ATOM 1945 HD21 ASN B 803 0.283 45.056 69.930 1.00 0.00 H ATOM 1946 H ASN B 803 1.041 43.229 73.180 1.00 0.00 H ATOM 1947 N PRO B 804 -0.947 45.389 76.307 1.00 56.24 N ATOM 1948 CA PRO B 804 -1.779 45.072 77.478 1.00 58.12 C ATOM 1949 C PRO B 804 -3.095 44.349 77.127 1.00 53.73 C ATOM 1950 O PRO B 804 -3.688 44.633 76.065 1.00 52.00 O ATOM 1951 CB PRO B 804 -2.119 46.463 78.083 1.00 61.73 C ATOM 1952 CG PRO B 804 -1.358 47.480 77.297 1.00 61.77 C ATOM 1953 CD PRO B 804 -0.924 46.848 76.012 1.00 58.61 C ATOM 1954 N PRO B 805 -3.603 43.505 78.043 1.00 54.34 N ATOM 1955 CA PRO B 805 -4.740 42.579 77.801 1.00 55.63 C ATOM 1956 C PRO B 805 -6.052 43.274 77.499 1.00 63.12 C ATOM 1957 O PRO B 805 -6.959 42.679 76.906 1.00 65.79 O ATOM 1958 CB PRO B 805 -4.847 41.793 79.117 1.00 62.72 C ATOM 1959 CG PRO B 805 -4.132 42.621 80.140 1.00 62.30 C ATOM 1960 CD PRO B 805 -3.034 43.334 79.398 1.00 59.84 C ATOM 1961 N GLU B 806 -6.182 44.523 77.920 1.00 62.41 N ATOM 1962 CA GLU B 806 -7.444 45.187 77.737 1.00 68.87 C ATOM 1963 C GLU B 806 -7.342 46.172 76.584 1.00 67.82 C ATOM 1964 O GLU B 806 -8.308 46.830 76.296 1.00 67.72 O ATOM 1965 CB GLU B 806 -7.962 45.835 79.061 1.00 77.92 C ATOM 1966 CG GLU B 806 -8.073 44.881 80.294 1.00 75.74 C ATOM 1967 CD GLU B 806 -8.815 43.565 80.002 1.00 73.68 C ATOM 1968 OE1 GLU B 806 -9.848 43.608 79.294 1.00 77.22 O ATOM 1969 OE2 GLU B 806 -8.385 42.479 80.437 1.00 66.24 O ATOM 1970 H GLU B 806 -5.386 45.014 78.375 1.00 0.00 H ATOM 1971 N SER B 807 -6.190 46.226 75.907 1.00 61.80 N ATOM 1972 CA SER B 807 -6.048 47.063 74.709 1.00 59.42 C ATOM 1973 C SER B 807 -6.913 46.500 73.579 1.00 58.22 C ATOM 1974 O SER B 807 -7.179 45.321 73.520 1.00 56.07 O ATOM 1975 CB SER B 807 -4.605 47.108 74.245 1.00 55.39 C ATOM 1976 OG SER B 807 -4.201 45.844 73.728 1.00 52.81 O ATOM 1977 HG SER B 807 -4.288 45.156 74.435 1.00 0.00 H ATOM 1978 H SER B 807 -5.379 45.664 76.235 1.00 0.00 H ATOM 1979 N GLU B 808 -7.374 47.380 72.721 1.00 55.27 N ATOM 1980 CA GLU B 808 -8.114 47.041 71.529 1.00 55.08 C ATOM 1981 C GLU B 808 -7.342 46.045 70.663 1.00 50.54 C ATOM 1982 O GLU B 808 -7.939 45.150 70.067 1.00 48.09 O ATOM 1983 CB GLU B 808 -8.431 48.330 70.722 1.00 60.76 C ATOM 1984 CG GLU B 808 -9.375 48.096 69.537 1.00 65.06 C ATOM 1985 CD GLU B 808 -10.793 47.688 69.951 1.00 73.03 C ATOM 1986 OE1 GLU B 808 -11.467 47.094 69.084 1.00 83.01 O ATOM 1987 OE2 GLU B 808 -11.237 47.930 71.118 1.00 75.95 O ATOM 1988 H GLU B 808 -7.194 48.386 72.912 1.00 0.00 H ATOM 1989 N TYR B 809 -6.012 46.167 70.618 1.00 44.31 N ATOM 1990 CA TYR B 809 -5.230 45.282 69.787 1.00 45.96 C ATOM 1991 C TYR B 809 -5.288 43.874 70.309 1.00 46.45 C ATOM 1992 O TYR B 809 -5.499 42.930 69.534 1.00 43.34 O ATOM 1993 CB TYR B 809 -3.790 45.723 69.731 1.00 46.20 C ATOM 1994 CG TYR B 809 -3.529 47.024 69.044 1.00 48.19 C ATOM 1995 CD1 TYR B 809 -4.081 47.309 67.804 1.00 52.63 C ATOM 1996 CD2 TYR B 809 -2.689 47.950 69.609 1.00 52.64 C ATOM 1997 CE1 TYR B 809 -3.791 48.483 67.143 1.00 57.58 C ATOM 1998 CE2 TYR B 809 -2.414 49.134 68.961 1.00 57.08 C ATOM 1999 CZ TYR B 809 -2.979 49.383 67.742 1.00 60.04 C ATOM 2000 OH TYR B 809 -2.738 50.545 67.072 1.00 80.54 O ATOM 2001 HH TYR B 809 -3.233 50.539 66.215 1.00 0.00 H ATOM 2002 H TYR B 809 -5.539 46.901 71.183 1.00 0.00 H ATOM 2003 N TYR B 810 -5.156 43.722 71.633 1.00 44.04 N ATOM 2004 CA TYR B 810 -5.225 42.396 72.251 1.00 44.82 C ATOM 2005 C TYR B 810 -6.619 41.835 72.002 1.00 43.10 C ATOM 2006 O TYR B 810 -6.733 40.706 71.638 1.00 41.76 O ATOM 2007 CB TYR B 810 -4.849 42.470 73.734 1.00 46.81 C ATOM 2008 CG TYR B 810 -4.564 41.159 74.429 1.00 48.34 C ATOM 2009 CD1 TYR B 810 -5.561 40.202 74.629 1.00 50.11 C ATOM 2010 CD2 TYR B 810 -3.313 40.906 74.986 1.00 52.39 C ATOM 2011 CE1 TYR B 810 -5.297 38.978 75.343 1.00 47.51 C ATOM 2012 CE2 TYR B 810 -3.045 39.718 75.703 1.00 48.85 C ATOM 2013 CZ TYR B 810 -4.022 38.763 75.876 1.00 49.32 C ATOM 2014 OH TYR B 810 -3.719 37.542 76.531 1.00 51.96 O ATOM 2015 HH TYR B 810 -4.532 36.978 76.567 1.00 0.00 H ATOM 2016 H TYR B 810 -5.002 44.558 72.232 1.00 0.00 H ATOM 2017 N LYS B 811 -7.680 42.625 72.175 1.00 49.98 N ATOM 2018 CA LYS B 811 -9.021 42.145 71.914 1.00 48.97 C ATOM 2019 C LYS B 811 -9.214 41.665 70.476 1.00 52.78 C ATOM 2020 O LYS B 811 -9.892 40.636 70.231 1.00 49.18 O ATOM 2021 CB LYS B 811 -10.068 43.254 72.163 1.00 52.68 C ATOM 2022 CG LYS B 811 -10.320 43.560 73.613 1.00 63.04 C ATOM 2023 CD LYS B 811 -11.272 44.727 73.775 1.00 72.51 C ATOM 2024 CE LYS B 811 -11.056 45.338 75.144 1.00 81.59 C ATOM 2025 NZ LYS B 811 -11.745 46.655 75.235 1.00 93.96 N ATOM 2026 HZ1 LYS B 811 -11.362 47.296 74.511 1.00 0.00 H ATOM 2027 HZ2 LYS B 811 -12.765 46.523 75.078 1.00 0.00 H ATOM 2028 HZ3 LYS B 811 -11.588 47.062 76.179 1.00 0.00 H ATOM 2029 H LYS B 811 -7.542 43.602 72.503 1.00 0.00 H ATOM 2030 N CYS B 812 -8.722 42.470 69.519 1.00 49.71 N ATOM 2031 CA CYS B 812 -8.801 42.082 68.117 1.00 45.65 C ATOM 2032 C CYS B 812 -8.094 40.748 67.913 1.00 39.54 C ATOM 2033 O CYS B 812 -8.588 39.879 67.195 1.00 40.63 O ATOM 2034 CB CYS B 812 -8.195 43.152 67.172 1.00 43.13 C ATOM 2035 SG CYS B 812 -9.204 44.636 67.061 1.00 47.38 S ATOM 2036 H CYS B 812 -8.282 43.375 69.781 1.00 0.00 H ATOM 2037 N ALA B 813 -6.928 40.583 68.472 1.00 38.51 N ATOM 2038 CA ALA B 813 -6.225 39.318 68.271 1.00 39.94 C ATOM 2039 C ALA B 813 -7.047 38.068 68.668 1.00 43.15 C ATOM 2040 O ALA B 813 -7.054 37.080 67.955 1.00 41.49 O ATOM 2041 CB ALA B 813 -4.922 39.314 69.033 1.00 44.03 C ATOM 2042 H ALA B 813 -6.506 41.338 69.050 1.00 0.00 H ATOM 2043 N ASN B 814 -7.694 38.128 69.828 1.00 47.01 N ATOM 2044 CA ASN B 814 -8.449 36.987 70.324 1.00 50.51 C ATOM 2045 C ASN B 814 -9.728 36.779 69.511 1.00 47.02 C ATOM 2046 O ASN B 814 -10.104 35.649 69.268 1.00 43.28 O ATOM 2047 CB ASN B 814 -8.828 37.126 71.804 1.00 48.31 C ATOM 2048 CG ASN B 814 -7.775 36.562 72.762 1.00 48.32 C ATOM 2049 OD1 ASN B 814 -6.895 35.759 72.404 1.00 44.61 O ATOM 2050 ND2 ASN B 814 -7.868 37.015 74.008 1.00 50.68 N ATOM 2051 HD22 ASN B 814 -8.621 37.686 74.263 1.00 0.00 H ATOM 2052 HD21 ASN B 814 -7.188 36.698 74.729 1.00 0.00 H ATOM 2053 H ASN B 814 -7.660 39.003 70.389 1.00 0.00 H ATOM 2054 N ILE B 815 -10.365 37.864 69.079 1.00 45.88 N ATOM 2055 CA ILE B 815 -11.546 37.733 68.218 1.00 46.60 C ATOM 2056 C ILE B 815 -11.152 37.089 66.884 1.00 42.40 C ATOM 2057 O ILE B 815 -11.782 36.131 66.400 1.00 41.38 O ATOM 2058 CB ILE B 815 -12.205 39.090 67.995 1.00 45.00 C ATOM 2059 CG1 ILE B 815 -12.812 39.590 69.316 1.00 48.87 C ATOM 2060 CG2 ILE B 815 -13.264 39.002 66.889 1.00 46.49 C ATOM 2061 CD1 ILE B 815 -13.271 41.060 69.239 1.00 49.82 C ATOM 2062 H ILE B 815 -10.025 38.808 69.352 1.00 0.00 H ATOM 2063 N LEU B 816 -10.081 37.588 66.299 1.00 41.66 N ATOM 2064 CA LEU B 816 -9.657 37.056 65.002 1.00 39.71 C ATOM 2065 C LEU B 816 -9.146 35.629 65.099 1.00 41.51 C ATOM 2066 O LEU B 816 -9.280 34.835 64.191 1.00 40.72 O ATOM 2067 CB LEU B 816 -8.584 37.947 64.444 1.00 40.15 C ATOM 2068 CG LEU B 816 -8.201 37.706 62.993 1.00 41.90 C ATOM 2069 CD1 LEU B 816 -9.439 37.968 62.134 1.00 43.45 C ATOM 2070 CD2 LEU B 816 -7.104 38.628 62.572 1.00 41.42 C ATOM 2071 H LEU B 816 -9.542 38.352 66.754 1.00 0.00 H ATOM 2072 N GLU B 817 -8.451 35.322 66.189 1.00 43.48 N ATOM 2073 CA GLU B 817 -8.061 33.947 66.444 1.00 43.63 C ATOM 2074 C GLU B 817 -9.245 32.994 66.571 1.00 41.22 C ATOM 2075 O GLU B 817 -9.220 31.934 65.981 1.00 43.70 O ATOM 2076 CB GLU B 817 -7.185 33.882 67.697 1.00 47.29 C ATOM 2077 CG GLU B 817 -6.715 32.508 68.037 1.00 47.23 C ATOM 2078 CD GLU B 817 -5.959 32.544 69.366 1.00 49.36 C ATOM 2079 OE1 GLU B 817 -6.497 33.038 70.411 1.00 48.04 O ATOM 2080 OE2 GLU B 817 -4.825 32.055 69.366 1.00 56.58 O ATOM 2081 H GLU B 817 -8.185 36.069 66.862 1.00 0.00 H ATOM 2082 N LYS B 818 -10.313 33.354 67.280 1.00 41.19 N ATOM 2083 CA LYS B 818 -11.469 32.506 67.262 1.00 43.32 C ATOM 2084 C LYS B 818 -11.948 32.290 65.848 1.00 45.86 C ATOM 2085 O LYS B 818 -12.340 31.183 65.491 1.00 43.22 O ATOM 2086 CB LYS B 818 -12.676 33.124 68.009 1.00 47.64 C ATOM 2087 CG LYS B 818 -12.591 33.111 69.506 1.00 52.64 C ATOM 2088 CD LYS B 818 -13.898 33.610 70.070 1.00 54.91 C ATOM 2089 CE LYS B 818 -13.732 33.818 71.554 1.00 57.89 C ATOM 2090 NZ LYS B 818 -15.036 34.230 72.125 1.00 59.52 N ATOM 2091 HZ1 LYS B 818 -15.345 35.116 71.676 1.00 0.00 H ATOM 2092 HZ2 LYS B 818 -15.741 33.486 71.949 1.00 0.00 H ATOM 2093 HZ3 LYS B 818 -14.934 34.377 73.150 1.00 0.00 H ATOM 2094 H LYS B 818 -10.309 34.233 67.836 1.00 0.00 H ATOM 2095 N PHE B 819 -12.061 33.392 65.088 1.00 42.10 N ATOM 2096 CA PHE B 819 -12.547 33.284 63.717 1.00 46.83 C ATOM 2097 C PHE B 819 -11.669 32.337 62.904 1.00 45.85 C ATOM 2098 O PHE B 819 -12.145 31.440 62.218 1.00 48.48 O ATOM 2099 CB PHE B 819 -12.553 34.676 63.062 1.00 42.37 C ATOM 2100 CG PHE B 819 -13.033 34.677 61.643 1.00 46.39 C ATOM 2101 CD1 PHE B 819 -14.395 34.518 61.338 1.00 50.51 C ATOM 2102 CD2 PHE B 819 -12.132 34.830 60.613 1.00 46.55 C ATOM 2103 CE1 PHE B 819 -14.840 34.552 60.016 1.00 55.06 C ATOM 2104 CE2 PHE B 819 -12.560 34.848 59.285 1.00 50.62 C ATOM 2105 CZ PHE B 819 -13.914 34.717 58.979 1.00 50.97 C ATOM 2106 H PHE B 819 -11.802 34.321 65.477 1.00 0.00 H ATOM 2107 N PHE B 820 -10.375 32.558 62.979 1.00 42.03 N ATOM 2108 CA PHE B 820 -9.419 31.667 62.340 1.00 45.40 C ATOM 2109 C PHE B 820 -9.626 30.192 62.653 1.00 48.60 C ATOM 2110 O PHE B 820 -9.676 29.324 61.745 1.00 45.53 O ATOM 2111 CB PHE B 820 -8.058 32.114 62.740 1.00 48.38 C ATOM 2112 CG PHE B 820 -6.982 31.131 62.527 1.00 55.83 C ATOM 2113 CD1 PHE B 820 -6.630 30.702 61.252 1.00 61.62 C ATOM 2114 CD2 PHE B 820 -6.214 30.703 63.636 1.00 62.56 C ATOM 2115 CE1 PHE B 820 -5.553 29.825 61.086 1.00 69.18 C ATOM 2116 CE2 PHE B 820 -5.129 29.848 63.459 1.00 71.67 C ATOM 2117 CZ PHE B 820 -4.812 29.397 62.188 1.00 64.41 C ATOM 2118 H PHE B 820 -10.028 33.385 63.505 1.00 0.00 H ATOM 2119 N PHE B 821 -9.724 29.852 63.925 1.00 48.15 N ATOM 2120 CA PHE B 821 -9.913 28.420 64.245 1.00 48.58 C ATOM 2121 C PHE B 821 -11.218 27.856 63.684 1.00 52.11 C ATOM 2122 O PHE B 821 -11.270 26.698 63.333 1.00 54.68 O ATOM 2123 CB PHE B 821 -9.794 28.209 65.740 1.00 48.54 C ATOM 2124 CG PHE B 821 -8.371 28.220 66.222 1.00 48.42 C ATOM 2125 CD1 PHE B 821 -7.461 27.334 65.719 1.00 49.99 C ATOM 2126 CD2 PHE B 821 -7.966 29.099 67.204 1.00 49.87 C ATOM 2127 CE1 PHE B 821 -6.152 27.354 66.186 1.00 51.39 C ATOM 2128 CE2 PHE B 821 -6.675 29.133 67.675 1.00 46.11 C ATOM 2129 CZ PHE B 821 -5.767 28.254 67.168 1.00 50.04 C ATOM 2130 H PHE B 821 -9.670 30.568 64.678 1.00 0.00 H ATOM 2131 N SER B 822 -12.290 28.660 63.605 1.00 52.77 N ATOM 2132 CA SER B 822 -13.534 28.143 63.051 1.00 55.90 C ATOM 2133 C SER B 822 -13.308 27.872 61.574 1.00 59.96 C ATOM 2134 O SER B 822 -13.779 26.866 61.067 1.00 60.78 O ATOM 2135 CB SER B 822 -14.711 29.097 63.277 1.00 57.79 C ATOM 2136 OG SER B 822 -14.786 29.420 64.655 1.00 57.11 O ATOM 2137 HG SER B 822 -13.943 29.856 64.937 1.00 0.00 H ATOM 2138 H SER B 822 -12.233 29.644 63.937 1.00 0.00 H ATOM 2139 N LYS B 823 -12.543 28.746 60.901 1.00 54.89 N ATOM 2140 CA LYS B 823 -12.275 28.501 59.477 1.00 60.35 C ATOM 2141 C LYS B 823 -11.408 27.264 59.203 1.00 60.85 C ATOM 2142 O LYS B 823 -11.715 26.497 58.321 1.00 62.48 O ATOM 2143 CB LYS B 823 -11.663 29.708 58.827 1.00 57.09 C ATOM 2144 CG LYS B 823 -12.595 30.913 58.874 1.00 59.26 C ATOM 2145 CD LYS B 823 -13.776 30.682 57.993 1.00 61.98 C ATOM 2146 CE LYS B 823 -15.072 31.165 58.596 1.00 69.94 C ATOM 2147 NZ LYS B 823 -16.114 31.124 57.532 1.00 75.17 N ATOM 2148 HZ1 LYS B 823 -15.829 31.742 56.746 1.00 0.00 H ATOM 2149 HZ2 LYS B 823 -16.218 30.148 57.187 1.00 0.00 H ATOM 2150 HZ3 LYS B 823 -17.020 31.453 57.923 1.00 0.00 H ATOM 2151 H LYS B 823 -12.147 29.581 61.378 1.00 0.00 H ATOM 2152 N ILE B 824 -10.359 27.084 59.981 1.00 59.99 N ATOM 2153 CA ILE B 824 -9.561 25.842 59.990 1.00 67.56 C ATOM 2154 C ILE B 824 -10.435 24.578 60.188 1.00 69.31 C ATOM 2155 O ILE B 824 -10.244 23.580 59.495 1.00 73.76 O ATOM 2156 CB ILE B 824 -8.488 25.900 61.104 1.00 64.21 C ATOM 2157 CG1 ILE B 824 -7.410 26.919 60.739 1.00 72.27 C ATOM 2158 CG2 ILE B 824 -7.895 24.521 61.435 1.00 66.90 C ATOM 2159 CD1 ILE B 824 -6.492 26.470 59.624 1.00 78.53 C ATOM 2160 H ILE B 824 -10.080 27.855 60.620 1.00 0.00 H ATOM 2161 N LYS B 825 -11.343 24.608 61.164 1.00 76.92 N ATOM 2162 CA LYS B 825 -12.236 23.470 61.418 1.00 75.89 C ATOM 2163 C LYS B 825 -13.192 23.279 60.259 1.00 78.98 C ATOM 2164 O LYS B 825 -13.378 22.174 59.771 1.00 75.08 O ATOM 2165 CB LYS B 825 -13.084 23.635 62.682 1.00 83.90 C ATOM 2166 CG LYS B 825 -12.433 23.148 63.982 1.00 94.61 C ATOM 2167 CD LYS B 825 -13.356 22.194 64.716 1.00105.92 C ATOM 2168 CE LYS B 825 -12.978 22.049 66.188 1.00107.05 C ATOM 2169 NZ LYS B 825 -14.013 21.230 66.880 1.00114.27 N ATOM 2170 HZ1 LYS B 825 -14.937 21.701 66.801 1.00 0.00 H ATOM 2171 HZ2 LYS B 825 -14.063 20.290 66.437 1.00 0.00 H ATOM 2172 HZ3 LYS B 825 -13.759 21.129 67.883 1.00 0.00 H ATOM 2173 H LYS B 825 -11.421 25.457 61.759 1.00 0.00 H ATOM 2174 N GLU B 826 -13.815 24.365 59.842 1.00 76.61 N ATOM 2175 CA GLU B 826 -14.717 24.349 58.710 1.00 80.45 C ATOM 2176 C GLU B 826 -14.070 23.703 57.479 1.00 80.69 C ATOM 2177 O GLU B 826 -14.729 23.024 56.731 1.00 81.31 O ATOM 2178 CB GLU B 826 -15.116 25.778 58.407 1.00 81.71 C ATOM 2179 CG GLU B 826 -15.981 26.010 57.206 1.00 90.26 C ATOM 2180 CD GLU B 826 -16.394 27.465 57.146 1.00 98.66 C ATOM 2181 OE1 GLU B 826 -16.113 28.129 56.124 1.00109.05 O ATOM 2182 OE2 GLU B 826 -16.950 27.959 58.154 1.00100.46 O ATOM 2183 H GLU B 826 -13.653 25.262 60.343 1.00 0.00 H ATOM 2184 N ALA B 827 -12.779 23.915 57.276 1.00 79.13 N ATOM 2185 CA ALA B 827 -12.081 23.335 56.135 1.00 80.17 C ATOM 2186 C ALA B 827 -11.549 21.907 56.324 1.00 80.23 C ATOM 2187 O ALA B 827 -10.991 21.340 55.399 1.00 80.15 O ATOM 2188 CB ALA B 827 -10.947 24.260 55.714 1.00 75.87 C ATOM 2189 H ALA B 827 -12.250 24.509 57.946 1.00 0.00 H ATOM 2190 N GLY B 828 -11.688 21.340 57.514 1.00 82.66 N ATOM 2191 CA GLY B 828 -11.107 20.020 57.820 1.00 84.53 C ATOM 2192 C GLY B 828 -9.594 19.949 57.708 1.00 83.57 C ATOM 2193 O GLY B 828 -9.014 18.886 57.461 1.00 87.89 O ATOM 2194 H GLY B 828 -12.222 21.840 58.253 1.00 0.00 H ATOM 2195 N LEU B 829 -8.933 21.067 57.937 1.00 80.53 N ATOM 2196 CA LEU B 829 -7.502 21.110 57.744 1.00 86.41 C ATOM 2197 C LEU B 829 -6.731 20.358 58.813 1.00 88.27 C ATOM 2198 O LEU B 829 -6.814 20.708 60.001 1.00 85.43 O ATOM 2199 CB LEU B 829 -7.028 22.566 57.709 1.00 93.35 C ATOM 2200 CG LEU B 829 -5.818 22.780 56.806 1.00 91.69 C ATOM 2201 CD1 LEU B 829 -6.186 22.456 55.370 1.00 95.22 C ATOM 2202 CD2 LEU B 829 -5.379 24.209 56.978 1.00 92.90 C ATOM 2203 H LEU B 829 -9.441 21.916 58.256 1.00 0.00 H ATOM 2204 N ILE B 830 -5.938 19.377 58.370 1.00 86.38 N ATOM 2205 CA ILE B 830 -5.274 18.433 59.262 1.00 88.14 C ATOM 2206 C ILE B 830 -4.063 17.849 58.537 1.00 89.97 C ATOM 2207 O ILE B 830 -2.928 18.289 58.712 1.00 84.10 O ATOM 2208 CB ILE B 830 -6.249 17.299 59.668 1.00 85.57 C ATOM 2209 H ILE B 830 -5.788 19.283 57.345 1.00 0.00 H TER 2210 ILE B 830 HETATM 2211 O HOH 1 -3.462 25.001 67.335 1.00 66.24 O HETATM 2212 O HOH 2 3.734 13.874 87.517 1.00 55.62 O HETATM 2213 O HOH 3 -6.302 21.041 74.631 1.00 53.47 O HETATM 2214 O HOH 4 7.811 21.022 89.205 1.00 55.84 O HETATM 2215 O HOH 5 -1.002 24.243 69.409 1.00 66.25 O HETATM 2216 O HOH 6 -11.861 26.523 68.044 1.00 60.41 O HETATM 2217 O HOH 7 -1.199 19.216 87.219 1.00 59.60 O HETATM 2218 O HOH 8 -5.742 35.742 76.185 1.00 47.38 O HETATM 2219 O HOH 9 -18.896 28.156 70.552 1.00 64.98 O HETATM 2220 O HOH 10 19.510 31.121 86.619 1.00 77.44 O HETATM 2221 O HOH 11 -17.470 32.934 68.464 1.00 62.84 O HETATM 2222 O HOH 12 14.571 25.734 84.960 1.00 59.21 O HETATM 2223 O HOH 13 -12.041 33.923 77.953 1.00 50.87 O HETATM 2224 O HOH 14 -7.131 36.546 83.132 1.00 48.98 O HETATM 2225 O HOH 15 16.542 21.430 78.050 1.00 70.55 O HETATM 2226 O HOH 16 -14.747 32.489 74.391 1.00 63.75 O HETATM 2227 O HOH 17 -5.442 19.145 79.743 1.00 50.24 O HETATM 2228 O HOH 18 -3.080 31.900 90.976 1.00 60.36 O HETATM 2229 O HOH 19 -0.471 16.685 77.347 1.00 52.65 O HETATM 2230 O HOH 20 -4.584 22.141 76.211 1.00 48.58 O HETATM 2231 O HOH 21 -8.796 25.542 87.977 1.00 61.91 O HETATM 2232 O HOH 22 17.682 28.429 87.661 1.00 75.80 O HETATM 2233 O HOH 23 7.744 15.672 78.917 1.00 63.14 O HETATM 2234 O HOH 24 -2.775 19.913 74.951 1.00 59.66 O HETATM 2235 O HOH 25 -3.820 20.766 78.386 1.00 49.99 O HETATM 2236 O HOH 26 2.335 42.504 83.986 1.00 70.19 O HETATM 2237 O HOH 27 -7.238 36.181 85.766 1.00 57.37 O HETATM 2238 O HOH 28 -10.518 37.862 80.318 1.00 56.40 O HETATM 2239 O HOH 29 -3.986 10.648 77.944 1.00 79.11 O HETATM 2240 O HOH 30 -0.010 20.848 69.080 1.00 65.91 O HETATM 2241 O HOH 31 -10.010 24.535 64.690 1.00 58.64 O HETATM 2242 O HOH 32 19.451 21.309 82.910 1.00 60.72 O HETATM 2243 O HOH 33 9.588 19.225 93.857 1.00 66.97 O HETATM 2244 O HOH 34 3.730 27.404 71.665 1.00 58.21 O HETATM 2245 O HOH 35 13.624 23.482 84.731 1.00 51.78 O HETATM 2246 O HOH 36 -2.924 16.781 76.865 1.00 64.16 O HETATM 2247 O HOH 37 2.582 44.710 77.288 1.00 57.24 O HETATM 2248 O HOH 38 -18.939 24.576 77.188 1.00 66.52 O HETATM 2249 O HOH 39 -2.194 40.124 79.913 1.00 65.72 O HETATM 2250 O HOH 40 3.941 16.502 87.587 1.00 68.03 O HETATM 2251 O HOH 41 4.160 32.331 73.865 1.00 72.22 O HETATM 2252 O HOH 42 -7.733 32.512 90.136 1.00 61.18 O HETATM 2253 O HOH 43 -5.440 8.827 76.604 1.00 76.37 O HETATM 2254 O HOH 44 -7.673 15.897 81.035 1.00 66.13 O HETATM 2255 O HOH 45 16.512 32.205 79.828 1.00 68.60 O HETATM 2256 O HOH 46 -12.553 33.661 75.125 1.00 58.09 O HETATM 2257 O HOH 47 -7.169 18.193 82.869 1.00 59.18 O HETATM 2258 O HOH 48 6.470 17.030 88.605 1.00 52.72 O HETATM 2259 O HOH 49 10.253 15.571 81.082 1.00 71.88 O HETATM 2260 O HOH 50 4.753 18.616 73.094 1.00 73.82 O HETATM 2261 O HOH 51 3.549 19.350 90.967 1.00 57.46 O HETATM 2262 O HOH 52 2.351 17.792 89.212 1.00 59.87 O HETATM 2263 O HOH 53 -5.093 38.404 84.037 1.00 64.02 O HETATM 2264 O HOH 54 -20.684 25.518 82.363 1.00 75.43 O HETATM 2265 O HOH 55 -10.532 36.221 78.371 1.00 55.84 O HETATM 2266 O HOH 56 17.251 26.358 85.783 1.00 79.04 O HETATM 2267 O HOH 57 3.795 31.004 93.789 1.00 77.58 O HETATM 2268 O HOH 58 11.365 16.401 76.173 1.00 74.31 O HETATM 2269 O HOH 59 6.702 18.487 90.357 1.00 56.75 O HETATM 2270 O HOH 60 -11.658 37.771 76.433 1.00 60.51 O HETATM 2271 O HOH 61 14.842 36.614 81.631 1.00 87.95 O HETATM 2272 O HOH 62 9.568 14.058 76.977 1.00 87.78 O HETATM 2273 O HOH 63 1.565 14.605 76.626 1.00 79.01 O HETATM 2274 O HOH 64 -9.490 37.741 82.602 1.00 57.93 O HETATM 2275 O HOH 65 6.191 52.293 70.691 1.00 87.40 O HETATM 2276 O HOH 66 1.651 49.583 62.485 1.00 57.78 O HETATM 2277 O HOH 67 15.372 52.741 59.710 1.00 72.32 O HETATM 2278 O HOH 68 -12.635 44.173 66.697 1.00 70.42 O HETATM 2279 O HOH 69 2.159 42.716 67.417 1.00 39.57 O HETATM 2280 O HOH 70 5.662 36.082 69.523 1.00 46.05 O HETATM 2281 O HOH 71 -1.950 27.585 66.403 1.00 61.72 O HETATM 2282 O HOH 72 -2.850 33.359 70.694 1.00 54.61 O HETATM 2283 O HOH 73 -9.576 39.534 52.080 1.00 55.53 O HETATM 2284 O HOH 74 -9.010 41.302 76.200 1.00 61.32 O HETATM 2285 O HOH 75 5.943 41.838 59.916 1.00 43.63 O HETATM 2286 O HOH 76 12.629 42.739 65.260 1.00 66.12 O HETATM 2287 O HOH 77 6.974 41.338 54.384 1.00 53.99 O HETATM 2288 O HOH 78 0.405 26.244 49.974 1.00 52.72 O HETATM 2289 O HOH 79 -14.958 42.212 65.295 1.00 71.34 O HETATM 2290 O HOH 80 -11.201 39.803 72.344 1.00 51.31 O HETATM 2291 O HOH 81 4.410 41.503 64.219 1.00 48.73 O HETATM 2292 O HOH 82 12.203 48.453 61.518 1.00 82.25 O HETATM 2293 O HOH 83 3.957 48.540 57.060 1.00 56.50 O HETATM 2294 O HOH 84 1.265 42.039 63.167 1.00 42.84 O HETATM 2295 O HOH 85 -9.128 33.559 70.812 1.00 48.34 O HETATM 2296 O HOH 86 -2.407 42.773 53.869 1.00 52.62 O HETATM 2297 O HOH 87 -5.203 48.323 58.759 1.00 48.33 O HETATM 2298 O HOH 88 0.739 41.310 65.650 1.00 36.06 O HETATM 2299 O HOH 89 3.803 32.075 68.271 1.00 52.96 O HETATM 2300 O HOH 90 -14.206 37.517 56.642 1.00 53.24 O HETATM 2301 O HOH 91 0.686 44.326 62.004 1.00 40.38 O HETATM 2302 O HOH 92 7.531 38.584 47.444 1.00 53.74 O HETATM 2303 O HOH 93 8.530 37.883 67.993 1.00 47.84 O HETATM 2304 O HOH 94 2.212 28.635 49.766 1.00 56.78 O HETATM 2305 O HOH 95 -13.432 28.989 67.054 1.00 62.04 O HETATM 2306 O HOH 96 4.188 30.861 66.106 1.00 50.55 O HETATM 2307 O HOH 97 14.667 42.011 69.318 1.00 77.41 O HETATM 2308 O HOH 98 -1.666 35.239 48.856 1.00 67.55 O HETATM 2309 O HOH 99 -15.942 36.781 64.393 1.00 53.95 O HETATM 2310 O HOH 100 -7.269 50.131 73.461 1.00 62.40 O HETATM 2311 O HOH 101 -14.592 35.646 66.426 1.00 45.60 O HETATM 2312 O HOH 102 -12.604 44.479 69.312 1.00 78.80 O HETATM 2313 O HOH 103 -15.106 28.838 53.493 1.00 77.68 O HETATM 2314 O HOH 104 -5.061 45.912 80.222 1.00 64.18 O HETATM 2315 O HOH 105 1.476 31.002 43.598 1.00 73.51 O HETATM 2316 O HOH 106 -15.036 36.986 71.138 1.00 53.92 O HETATM 2317 O HOH 107 -15.892 40.674 60.347 1.00 54.42 O HETATM 2318 O HOH 108 9.177 45.520 59.340 1.00 63.95 O HETATM 2319 O HOH 109 4.969 43.426 61.925 1.00 47.10 O HETATM 2320 O HOH 110 -12.271 27.892 53.491 1.00 71.28 O HETATM 2321 O HOH 111 -12.118 46.529 65.552 1.00 62.95 O HETATM 2322 O HOH 112 3.415 47.745 54.134 1.00 68.39 O HETATM 2323 O HOH 113 -9.574 21.061 61.217 1.00 73.55 O HETATM 2324 O HOH 114 -9.637 39.413 74.644 1.00 53.26 O HETATM 2325 O HOH 115 0.691 48.088 60.350 1.00 63.22 O HETATM 2326 O HOH 116 11.356 49.974 66.395 1.00 63.35 O HETATM 2327 O HOH 117 6.431 33.426 62.304 1.00 75.51 O HETATM 2328 O HOH 118 -18.320 32.684 59.168 1.00 85.03 O HETATM 2329 O HOH 119 -1.275 46.882 60.026 1.00 49.12 O HETATM 2330 O HOH 120 -15.765 39.645 55.757 1.00 58.96 O HETATM 2331 O HOH 121 -15.855 35.374 56.019 1.00 60.57 O HETATM 2332 O HOH 122 -3.834 36.084 49.885 1.00 69.44 O HETATM 2333 O HOH 123 -12.554 37.097 71.825 1.00 56.58 O HETATM 2334 O HOH 124 2.626 49.151 74.815 1.00 78.83 O HETATM 2335 O HOH 125 -15.657 33.070 66.108 1.00 74.75 O HETATM 2336 O HOH 126 -18.704 44.944 58.585 1.00 74.13 O HETATM 2337 O HOH 127 -7.118 42.032 51.948 1.00 64.01 O HETATM 2338 O HOH 128 5.597 43.289 53.140 1.00 67.70 O HETATM 2339 O HOH 129 8.163 42.350 58.598 1.00 63.12 O HETATM 2340 O HOH 130 -0.953 22.089 62.798 1.00 64.77 O HETATM 2341 O HOH 131 8.604 43.006 55.561 1.00 48.84 O HETATM 2342 O HOH 132 -15.872 36.778 68.604 1.00 62.48 O HETATM 2343 O HOH 133 -1.619 49.983 75.063 1.00 68.74 O HETATM 2344 C4 UNN A 134 -10.870 17.775 80.043 1.00 0.13 C HETATM 2345 C5 UNN A 134 -11.793 16.741 80.172 1.00 -0.02 C HETATM 2346 C6 UNN A 134 -12.189 16.335 81.437 1.00 -0.07 C HETATM 2347 C7 UNN A 134 -11.675 16.952 82.564 1.00 -0.07 C HETATM 2348 C8 UNN A 134 -10.748 17.971 82.432 1.00 -0.07 C HETATM 2349 C9 UNN A 134 -10.334 18.383 81.176 1.00 -0.02 C HETATM 2350 H5 UNN A 134 -9.598 19.173 81.075 1.00 0.06 H HETATM 2351 H4 UNN A 134 -10.344 18.450 83.317 1.00 0.06 H HETATM 2352 H3 UNN A 134 -11.998 16.637 83.550 1.00 0.06 H HETATM 2353 H2 UNN A 134 -12.906 15.529 81.544 1.00 0.06 H HETATM 2354 H1 UNN A 134 -12.199 16.257 79.291 1.00 0.06 H HETATM 2355 N2 UNN A 134 -10.552 18.285 78.748 1.00 -0.08 N HETATM 2356 N1 UNN A 134 -9.664 19.266 78.575 1.00 -0.14 N HETATM 2357 C1 UNN A 134 -9.681 19.497 77.260 1.00 0.15 C HETATM 2358 C UNN A 134 -8.834 20.454 76.608 1.00 0.21 C HETATM 2359 O UNN A 134 -8.868 20.586 75.391 1.00 -0.39 O HETATM 2360 N UNN A 134 -8.024 21.134 77.397 1.00 -0.30 N HETATM 2361 H6 UNN A 134 -8.043 20.981 78.385 1.00 0.18 H HETATM 2362 H7 UNN A 134 -7.391 21.802 77.007 1.00 0.18 H HETATM 2363 C2 UNN A 134 -10.632 18.606 76.692 1.00 0.07 C HETATM 2364 N3 UNN A 134 -11.168 17.849 77.636 1.00 -0.17 N HETATM 2365 C3 UNN A 134 -11.027 18.441 75.262 1.00 -0.02 C HETATM 2366 H8 UNN A 134 -10.471 19.160 74.643 1.00 0.04 H HETATM 2367 H9 UNN A 134 -12.107 18.624 75.156 1.00 0.04 H HETATM 2368 H10 UNN A 134 -10.795 17.417 74.933 1.00 0.04 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1106 1107 1111 1112 1113 CONECT 1111 1106 CONECT 1112 1106 CONECT 1113 1106 CONECT 2344 2345 2349 2355 CONECT 2345 2344 2346 2354 CONECT 2346 2345 2347 2353 CONECT 2347 2346 2348 2352 CONECT 2348 2347 2349 2351 CONECT 2349 2344 2348 2350 CONECT 2350 2349 CONECT 2351 2348 CONECT 2352 2347 CONECT 2353 2346 CONECT 2354 2345 CONECT 2355 2344 2356 2364 CONECT 2356 2355 2357 CONECT 2357 2356 2358 2363 CONECT 2358 2357 2359 2360 CONECT 2359 2358 CONECT 2360 2358 2361 2362 CONECT 2361 2360 CONECT 2362 2360 CONECT 2363 2357 2364 2365 CONECT 2364 2355 2363 CONECT 2365 2363 2366 2367 2368 CONECT 2366 2365 CONECT 2367 2365 CONECT 2368 2365 MASTER 0 0 0 0 0 0 0 0 2366 2 33 18 END
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Structure:
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Related entries of code: 5lvr
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1wug
RCSB PDB
PDBbind
118aa, >1WUG_1|Chain... at 96%
1wum
RCSB PDB
PDBbind
118aa, >1WUM_1|Chain... at 96%
5fdz
RCSB PDB
PDBbind
119aa, >5FDZ_1|Chains... at 100%
5fe6
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PDBbind
119aa, >5FE6_1|Chains... at 100%
5fe7
RCSB PDB
PDBbind
119aa, >5FE7_1|Chains... at 100%
5fe9
RCSB PDB
PDBbind
119aa, >5FE9_1|Chains... at 100%
5lvq
RCSB PDB
PDBbind
119aa, >5LVQ_1|Chains... at 100%
5mkx
RCSB PDB
PDBbind
119aa, >5MKX_1|Chains... at 100%
5ml0
RCSB PDB
PDBbind
110aa, >5ML0_1|Chain... at 91%
6j3o
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
5lvr
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
p300/CBP-associated factor
Ligand Name
78Y
EC.Number
E.C.-.-.-.-
Resolution
2.05(Å)
Affinity (Kd/Ki/IC50)
Kd=250uM
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
0
H
1
0
N
4
O
Molecular Weight
202.213
Exact Mass
202.085
No. of atoms
25
No. of bonds
26
Polar Surface Area
73.8
LOGP Value
1.51 (
Computed with XLOGP3
)
1.37 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 2
Canonical SMILES
NC(=O)c1nn(nc1C)c1ccccc1
InChI String
InChI=1S/C10H10N4O/c1-7-9(10(11)15)13-14(12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,15)
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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