Browse entries in the PDBbind-CN Database
HEADER 5FH8_COMPLEX COMPND 5FH8_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 112 SER LYS TYR MET THR PRO MET GLN GLN LYS LEU ASN GLU SEQRES 2 A 112 VAL TYR GLU ALA VAL LYS ASN TYR THR ASP LYS ARG GLY SEQRES 3 A 112 ARG ARG LEU SER ALA ILE PHE LEU ARG LEU PRO SER ARG SEQRES 4 A 112 SER GLU LEU PRO ASP TYR TYR LEU THR ILE LYS LYS PRO SEQRES 5 A 112 MET ASP MET GLU LYS ILE ARG SER HIS MET MET ALA ASN SEQRES 6 A 112 LYS TYR GLN ASP ILE ASP SER MET VAL GLU ASP PHE VAL SEQRES 7 A 112 MET MET PHE ASN ASN ALA CYS THR TYR ASN GLU PRO GLU SEQRES 8 A 112 SER LEU ILE TYR LYS ASP ALA LEU VAL LEU HIS LYS VAL SEQRES 9 A 112 LEU LEU GLU THR ARG ARG ASP LEU HET UNN A 205 40 ATOM 1 N SER A 652 5.382 5.954 -14.988 1.00 36.12 N ATOM 2 CA SER A 652 5.486 4.834 -13.973 1.00 35.28 C ATOM 3 C SER A 652 5.354 5.290 -12.534 1.00 34.64 C ATOM 4 O SER A 652 5.973 6.284 -12.124 1.00 31.16 O ATOM 5 CB SER A 652 6.801 4.076 -14.124 1.00 36.82 C ATOM 6 OG SER A 652 6.965 3.145 -13.068 1.00 36.53 O ATOM 7 HG SER A 652 7.823 2.664 -13.184 1.00 0.00 H ATOM 8 HN3 SER A 652 6.137 6.648 -14.815 1.00 0.00 H ATOM 9 HN2 SER A 652 4.456 6.418 -14.897 1.00 0.00 H ATOM 10 HN1 SER A 652 5.482 5.562 -15.946 1.00 0.00 H ATOM 11 N LYS A 653 4.541 4.553 -11.771 1.00 33.20 N ATOM 12 CA LYS A 653 4.268 4.871 -10.383 1.00 33.68 C ATOM 13 C LYS A 653 5.323 4.267 -9.421 1.00 29.47 C ATOM 14 O LYS A 653 5.471 4.761 -8.281 1.00 29.61 O ATOM 15 CB LYS A 653 2.858 4.368 -10.003 1.00 36.87 C ATOM 16 CG LYS A 653 1.719 4.870 -10.906 1.00 40.20 C ATOM 17 CD LYS A 653 0.597 3.841 -11.036 1.00 42.53 C ATOM 18 CE LYS A 653 -0.199 3.883 -12.334 1.00 41.76 C ATOM 19 NZ LYS A 653 0.354 3.043 -13.401 1.00 44.22 N ATOM 20 HZ1 LYS A 653 1.320 3.358 -13.623 1.00 0.00 H ATOM 21 HZ2 LYS A 653 0.375 2.052 -13.085 1.00 0.00 H ATOM 22 HZ3 LYS A 653 -0.242 3.125 -14.249 1.00 0.00 H ATOM 23 H LYS A 653 4.086 3.717 -12.190 1.00 0.00 H ATOM 24 N TYR A 654 6.055 3.236 -9.875 1.00 26.34 N ATOM 25 CA TYR A 654 6.970 2.564 -8.968 1.00 22.79 C ATOM 26 C TYR A 654 8.068 3.533 -8.526 1.00 23.05 C ATOM 27 O TYR A 654 8.601 4.289 -9.339 1.00 23.64 O ATOM 28 CB TYR A 654 7.563 1.300 -9.587 1.00 22.13 C ATOM 29 CG TYR A 654 6.573 0.165 -9.873 1.00 22.56 C ATOM 30 CD1 TYR A 654 6.184 -0.706 -8.863 1.00 23.50 C ATOM 31 CD2 TYR A 654 6.041 -0.043 -11.126 1.00 22.23 C ATOM 32 CE1 TYR A 654 5.286 -1.755 -9.109 1.00 22.75 C ATOM 33 CE2 TYR A 654 5.149 -1.096 -11.377 1.00 23.05 C ATOM 34 CZ TYR A 654 4.745 -1.920 -10.337 1.00 22.95 C ATOM 35 OH TYR A 654 3.892 -2.969 -10.598 1.00 23.02 O ATOM 36 HH TYR A 654 4.316 -3.584 -11.248 1.00 0.00 H ATOM 37 H TYR A 654 5.968 2.923 -10.863 1.00 0.00 H ATOM 38 N MET A 655 8.474 3.410 -7.282 1.00 22.33 N ATOM 39 CA MET A 655 9.568 4.219 -6.756 1.00 23.59 C ATOM 40 C MET A 655 10.901 3.606 -7.213 1.00 22.78 C ATOM 41 O MET A 655 11.223 2.480 -6.894 1.00 22.41 O ATOM 42 CB MET A 655 9.547 4.277 -5.232 1.00 25.43 C ATOM 43 CG MET A 655 8.361 4.958 -4.607 1.00 26.49 C ATOM 44 SD MET A 655 8.207 6.701 -4.858 1.00 24.47 S ATOM 45 CE MET A 655 9.141 7.206 -3.423 1.00 27.36 C ATOM 46 H MET A 655 8.005 2.721 -6.659 1.00 0.00 H ATOM 47 N THR A 656 11.663 4.396 -7.948 1.00 21.83 N ATOM 48 CA THR A 656 12.994 4.027 -8.355 1.00 23.07 C ATOM 49 C THR A 656 13.909 4.074 -7.107 1.00 24.43 C ATOM 50 O THR A 656 13.571 4.683 -6.106 1.00 22.92 O ATOM 51 CB THR A 656 13.493 5.052 -9.379 1.00 23.31 C ATOM 52 OG1 THR A 656 13.569 6.381 -8.784 1.00 24.20 O ATOM 53 CG2 THR A 656 12.554 5.098 -10.579 1.00 24.59 C ATOM 54 HG1 THR A 656 13.893 7.026 -9.461 1.00 0.00 H ATOM 55 H THR A 656 11.287 5.320 -8.244 1.00 0.00 H ATOM 56 N PRO A 657 15.117 3.517 -7.192 1.00 23.23 N ATOM 57 CA PRO A 657 16.084 3.664 -6.084 1.00 23.32 C ATOM 58 C PRO A 657 16.344 5.090 -5.585 1.00 23.16 C ATOM 59 O PRO A 657 16.401 5.296 -4.372 1.00 22.90 O ATOM 60 CB PRO A 657 17.366 3.023 -6.671 1.00 24.91 C ATOM 61 CG PRO A 657 16.834 1.977 -7.639 1.00 26.16 C ATOM 62 CD PRO A 657 15.625 2.611 -8.280 1.00 26.01 C ATOM 63 N MET A 658 16.395 6.077 -6.468 1.00 22.53 N ATOM 64 CA MET A 658 16.596 7.453 -6.049 1.00 22.64 C ATOM 65 C MET A 658 15.363 7.908 -5.303 1.00 21.49 C ATOM 66 O MET A 658 15.504 8.555 -4.251 1.00 20.86 O ATOM 67 CB MET A 658 16.873 8.403 -7.233 1.00 25.28 C ATOM 68 CG MET A 658 17.040 9.865 -6.904 1.00 27.27 C ATOM 69 SD MET A 658 18.355 10.245 -5.707 1.00 31.25 S ATOM 70 CE MET A 658 19.849 10.113 -6.745 1.00 30.66 C ATOM 71 H MET A 658 16.289 5.862 -7.480 1.00 0.00 H ATOM 72 N GLN A 659 14.169 7.585 -5.834 1.00 19.52 N ATOM 73 CA GLN A 659 12.992 8.003 -5.115 1.00 19.74 C ATOM 74 C GLN A 659 12.877 7.372 -3.753 1.00 20.52 C ATOM 75 O GLN A 659 12.366 7.998 -2.811 1.00 20.72 O ATOM 76 CB GLN A 659 11.742 7.694 -5.929 1.00 18.90 C ATOM 77 CG GLN A 659 11.515 8.665 -7.108 1.00 20.32 C ATOM 78 CD GLN A 659 10.389 8.135 -7.978 1.00 22.77 C ATOM 79 OE1 GLN A 659 10.523 7.083 -8.612 1.00 22.36 O ATOM 80 NE2 GLN A 659 9.275 8.820 -7.994 1.00 23.31 N ATOM 81 HE22 GLN A 659 9.199 9.702 -7.448 1.00 0.00 H ATOM 82 HE21 GLN A 659 8.465 8.483 -8.553 1.00 0.00 H ATOM 83 H GLN A 659 14.099 7.056 -6.726 1.00 0.00 H ATOM 84 N GLN A 660 13.311 6.130 -3.619 1.00 21.72 N ATOM 85 CA GLN A 660 13.283 5.476 -2.338 1.00 23.00 C ATOM 86 C GLN A 660 14.218 6.175 -1.312 1.00 22.56 C ATOM 87 O GLN A 660 13.848 6.236 -0.151 1.00 22.34 O ATOM 88 CB GLN A 660 13.663 4.024 -2.512 1.00 26.41 C ATOM 89 CG GLN A 660 12.570 3.256 -3.273 1.00 28.58 C ATOM 90 CD GLN A 660 12.922 1.784 -3.195 1.00 33.69 C ATOM 91 OE1 GLN A 660 13.999 1.386 -3.629 1.00 41.75 O ATOM 92 NE2 GLN A 660 12.113 1.033 -2.520 1.00 35.52 N ATOM 93 HE22 GLN A 660 11.211 1.419 -2.174 1.00 0.00 H ATOM 94 HE21 GLN A 660 12.364 0.043 -2.323 1.00 0.00 H ATOM 95 H GLN A 660 13.677 5.621 -4.449 1.00 0.00 H ATOM 96 N LYS A 661 15.371 6.658 -1.755 1.00 22.48 N ATOM 97 CA LYS A 661 16.280 7.420 -0.888 1.00 24.14 C ATOM 98 C LYS A 661 15.671 8.775 -0.527 1.00 21.56 C ATOM 99 O LYS A 661 15.722 9.207 0.641 1.00 21.62 O ATOM 100 CB LYS A 661 17.652 7.623 -1.519 1.00 27.68 C ATOM 101 CG LYS A 661 18.419 6.320 -1.700 1.00 33.12 C ATOM 102 CD LYS A 661 19.928 6.479 -1.780 1.00 39.82 C ATOM 103 CE LYS A 661 20.559 5.101 -2.012 1.00 44.69 C ATOM 104 NZ LYS A 661 22.064 5.027 -2.028 1.00 48.95 N ATOM 105 HZ1 LYS A 661 22.432 5.633 -2.789 1.00 0.00 H ATOM 106 HZ2 LYS A 661 22.436 5.353 -1.113 1.00 0.00 H ATOM 107 HZ3 LYS A 661 22.360 4.044 -2.193 1.00 0.00 H ATOM 108 H LYS A 661 15.640 6.492 -2.746 1.00 0.00 H ATOM 109 N LEU A 662 15.004 9.432 -1.503 1.00 19.48 N ATOM 110 CA LEU A 662 14.323 10.687 -1.174 1.00 19.28 C ATOM 111 C LEU A 662 13.250 10.358 -0.124 1.00 18.85 C ATOM 112 O LEU A 662 13.020 11.118 0.824 1.00 19.21 O ATOM 113 CB LEU A 662 13.631 11.303 -2.397 1.00 19.98 C ATOM 114 CG LEU A 662 14.587 11.898 -3.413 1.00 22.79 C ATOM 115 CD1 LEU A 662 13.937 11.922 -4.778 1.00 23.93 C ATOM 116 CD2 LEU A 662 14.966 13.254 -2.983 1.00 24.29 C ATOM 117 H LEU A 662 14.975 9.053 -2.471 1.00 0.00 H ATOM 118 N ASN A 663 12.510 9.268 -0.329 1.00 19.03 N ATOM 119 CA ASN A 663 11.396 8.971 0.587 1.00 19.74 C ATOM 120 C ASN A 663 11.889 8.659 1.993 1.00 20.03 C ATOM 121 O ASN A 663 11.202 9.003 2.954 1.00 20.67 O ATOM 122 CB ASN A 663 10.504 7.847 0.045 1.00 20.99 C ATOM 123 CG ASN A 663 9.115 7.862 0.631 1.00 23.67 C ATOM 124 OD1 ASN A 663 8.616 8.865 1.184 1.00 21.74 O ATOM 125 ND2 ASN A 663 8.469 6.730 0.533 1.00 26.00 N ATOM 126 HD22 ASN A 663 8.916 5.915 0.066 1.00 0.00 H ATOM 127 HD21 ASN A 663 7.508 6.644 0.922 1.00 0.00 H ATOM 128 H ASN A 663 12.717 8.634 -1.127 1.00 0.00 H ATOM 129 N GLU A 664 13.088 8.078 2.149 1.00 21.75 N ATOM 130 CA GLU A 664 13.654 7.888 3.502 1.00 23.62 C ATOM 131 C GLU A 664 13.843 9.230 4.235 1.00 22.16 C ATOM 132 O GLU A 664 13.575 9.357 5.437 1.00 22.35 O ATOM 133 CB GLU A 664 15.021 7.180 3.432 1.00 27.54 C ATOM 134 CG GLU A 664 14.847 5.710 3.089 1.00 31.77 C ATOM 135 CD GLU A 664 16.173 4.940 3.060 1.00 38.03 C ATOM 136 OE1 GLU A 664 17.204 5.424 3.577 1.00 43.01 O ATOM 137 OE2 GLU A 664 16.160 3.820 2.494 1.00 45.16 O ATOM 138 H GLU A 664 13.622 7.760 1.315 1.00 0.00 H ATOM 139 N VAL A 665 14.384 10.224 3.512 1.00 20.35 N ATOM 140 CA VAL A 665 14.548 11.554 4.067 1.00 20.24 C ATOM 141 C VAL A 665 13.195 12.206 4.368 1.00 19.00 C ATOM 142 O VAL A 665 12.980 12.725 5.482 1.00 19.87 O ATOM 143 CB VAL A 665 15.371 12.455 3.116 1.00 21.32 C ATOM 144 CG1 VAL A 665 15.383 13.907 3.600 1.00 22.27 C ATOM 145 CG2 VAL A 665 16.811 11.951 2.958 1.00 23.53 C ATOM 146 H VAL A 665 14.691 10.037 2.536 1.00 0.00 H ATOM 147 N TYR A 666 12.236 12.073 3.450 1.00 17.54 N ATOM 148 CA TYR A 666 10.934 12.657 3.655 1.00 18.11 C ATOM 149 C TYR A 666 10.298 12.037 4.945 1.00 17.29 C ATOM 150 O TYR A 666 9.786 12.759 5.793 1.00 16.42 O ATOM 151 CB TYR A 666 10.027 12.360 2.452 1.00 17.61 C ATOM 152 CG TYR A 666 8.601 12.897 2.630 1.00 18.54 C ATOM 153 CD1 TYR A 666 7.584 12.171 3.218 1.00 19.71 C ATOM 154 CD2 TYR A 666 8.288 14.198 2.216 1.00 20.50 C ATOM 155 CE1 TYR A 666 6.324 12.755 3.388 1.00 19.27 C ATOM 156 CE2 TYR A 666 7.023 14.723 2.352 1.00 20.20 C ATOM 157 CZ TYR A 666 6.066 13.991 2.924 1.00 21.27 C ATOM 158 OH TYR A 666 4.811 14.531 3.130 1.00 22.74 O ATOM 159 HH TYR A 666 4.229 13.856 3.561 1.00 0.00 H ATOM 160 H TYR A 666 12.430 11.542 2.577 1.00 0.00 H ATOM 161 N GLU A 667 10.295 10.701 5.017 1.00 18.91 N ATOM 162 CA GLU A 667 9.760 10.001 6.194 1.00 20.23 C ATOM 163 C GLU A 667 10.448 10.353 7.505 1.00 19.73 C ATOM 164 O GLU A 667 9.756 10.425 8.532 1.00 20.97 O ATOM 165 CB GLU A 667 9.788 8.475 5.973 1.00 22.85 C ATOM 166 CG GLU A 667 8.757 8.007 4.930 1.00 24.73 C ATOM 167 CD GLU A 667 7.328 8.069 5.463 1.00 27.77 C ATOM 168 OE1 GLU A 667 7.016 7.365 6.458 1.00 32.69 O ATOM 169 OE2 GLU A 667 6.525 8.875 4.980 1.00 32.60 O ATOM 170 H GLU A 667 10.679 10.147 4.225 1.00 0.00 H ATOM 171 N ALA A 668 11.760 10.605 7.498 1.00 19.61 N ATOM 172 CA ALA A 668 12.492 10.974 8.713 1.00 20.94 C ATOM 173 C ALA A 668 11.957 12.271 9.277 1.00 20.52 C ATOM 174 O ALA A 668 11.762 12.427 10.476 1.00 21.43 O ATOM 175 CB ALA A 668 13.993 11.077 8.448 1.00 21.79 C ATOM 176 H ALA A 668 12.280 10.537 6.600 1.00 0.00 H ATOM 177 N VAL A 669 11.704 13.232 8.398 1.00 18.91 N ATOM 178 CA VAL A 669 11.154 14.481 8.808 1.00 18.12 C ATOM 179 C VAL A 669 9.719 14.288 9.218 1.00 18.81 C ATOM 180 O VAL A 669 9.299 14.780 10.273 1.00 17.59 O ATOM 181 CB VAL A 669 11.271 15.539 7.668 1.00 19.05 C ATOM 182 CG1 VAL A 669 10.607 16.839 8.095 1.00 19.19 C ATOM 183 CG2 VAL A 669 12.736 15.785 7.304 1.00 21.11 C ATOM 184 H VAL A 669 11.911 13.071 7.392 1.00 0.00 H ATOM 185 N LYS A 670 8.903 13.646 8.365 1.00 17.22 N ATOM 186 CA LYS A 670 7.488 13.484 8.682 1.00 18.69 C ATOM 187 C LYS A 670 7.251 12.791 10.033 1.00 18.94 C ATOM 188 O LYS A 670 6.356 13.163 10.796 1.00 18.02 O ATOM 189 CB LYS A 670 6.753 12.669 7.607 1.00 21.53 C ATOM 190 CG LYS A 670 5.226 12.567 7.866 1.00 25.43 C ATOM 191 CD LYS A 670 4.475 11.840 6.772 1.00 30.87 C ATOM 192 CE LYS A 670 3.681 10.633 7.223 1.00 36.86 C ATOM 193 NZ LYS A 670 4.557 9.419 7.325 1.00 39.71 N ATOM 194 HZ1 LYS A 670 4.974 9.215 6.395 1.00 0.00 H ATOM 195 HZ2 LYS A 670 5.315 9.597 8.015 1.00 0.00 H ATOM 196 HZ3 LYS A 670 3.987 8.607 7.636 1.00 0.00 H ATOM 197 H LYS A 670 9.282 13.263 7.475 1.00 0.00 H ATOM 198 N ASN A 671 8.053 11.761 10.307 1.00 18.15 N ATOM 199 CA ASN A 671 7.808 10.938 11.495 1.00 19.12 C ATOM 200 C ASN A 671 8.541 11.345 12.752 1.00 19.50 C ATOM 201 O ASN A 671 8.303 10.735 13.807 1.00 20.31 O ATOM 202 CB ASN A 671 8.146 9.488 11.205 1.00 20.38 C ATOM 203 CG ASN A 671 7.281 8.904 10.063 1.00 22.96 C ATOM 204 OD1 ASN A 671 6.108 9.145 9.972 1.00 27.13 O ATOM 205 ND2 ASN A 671 7.895 8.103 9.222 1.00 23.19 N ATOM 206 HD22 ASN A 671 8.912 7.916 9.330 1.00 0.00 H ATOM 207 HD21 ASN A 671 7.364 7.656 8.448 1.00 0.00 H ATOM 208 H ASN A 671 8.852 11.542 9.678 1.00 0.00 H ATOM 209 N TYR A 672 9.359 12.407 12.691 1.00 18.91 N ATOM 210 CA TYR A 672 10.099 12.846 13.867 1.00 18.98 C ATOM 211 C TYR A 672 9.158 13.212 15.009 1.00 19.37 C ATOM 212 O TYR A 672 8.158 13.940 14.812 1.00 18.67 O ATOM 213 CB TYR A 672 10.915 14.086 13.503 1.00 18.23 C ATOM 214 CG TYR A 672 11.696 14.617 14.671 1.00 18.19 C ATOM 215 CD1 TYR A 672 12.892 13.965 15.088 1.00 20.47 C ATOM 216 CD2 TYR A 672 11.226 15.682 15.431 1.00 19.36 C ATOM 217 CE1 TYR A 672 13.567 14.423 16.204 1.00 21.49 C ATOM 218 CE2 TYR A 672 11.916 16.111 16.552 1.00 20.35 C ATOM 219 CZ TYR A 672 13.066 15.465 16.930 1.00 21.63 C ATOM 220 OH TYR A 672 13.725 15.975 18.042 1.00 24.85 O ATOM 221 HH TYR A 672 14.535 15.434 18.221 1.00 0.00 H ATOM 222 H TYR A 672 9.466 12.923 11.794 1.00 0.00 H ATOM 223 N THR A 673 9.490 12.695 16.203 1.00 20.41 N ATOM 224 CA THR A 673 8.873 13.192 17.403 1.00 19.72 C ATOM 225 C THR A 673 9.881 13.786 18.372 1.00 19.68 C ATOM 226 O THR A 673 11.042 13.315 18.478 1.00 21.67 O ATOM 227 CB THR A 673 8.060 12.106 18.104 1.00 23.04 C ATOM 228 OG1 THR A 673 8.933 10.985 18.344 1.00 24.49 O ATOM 229 CG2 THR A 673 6.851 11.693 17.297 1.00 23.43 C ATOM 230 HG1 THR A 673 9.688 11.273 18.917 1.00 0.00 H ATOM 231 H THR A 673 10.195 11.933 16.260 1.00 0.00 H ATOM 232 N ASP A 674 9.468 14.859 19.045 1.00 19.73 N ATOM 233 CA ASP A 674 10.312 15.507 20.013 1.00 20.10 C ATOM 234 C ASP A 674 10.362 14.702 21.342 1.00 20.35 C ATOM 235 O ASP A 674 9.840 13.562 21.403 1.00 21.30 O ATOM 236 CB ASP A 674 9.878 16.921 20.173 1.00 21.03 C ATOM 237 CG ASP A 674 8.722 17.106 21.101 1.00 20.76 C ATOM 238 OD1 ASP A 674 8.077 16.146 21.571 1.00 21.53 O ATOM 239 OD2 ASP A 674 8.430 18.289 21.310 1.00 21.75 O ATOM 240 H ASP A 674 8.515 15.236 18.867 1.00 0.00 H ATOM 241 N LYS A 675 11.049 15.243 22.329 1.00 21.03 N ATOM 242 CA LYS A 675 11.332 14.500 23.581 1.00 22.67 C ATOM 243 C LYS A 675 10.074 14.181 24.350 1.00 23.18 C ATOM 244 O LYS A 675 10.099 13.324 25.205 1.00 25.16 O ATOM 245 CB LYS A 675 12.271 15.305 24.519 1.00 24.04 C ATOM 246 CG LYS A 675 11.672 16.577 25.061 1.00 25.76 C ATOM 247 CD LYS A 675 12.608 17.274 26.044 1.00 28.43 C ATOM 248 CE LYS A 675 11.886 18.430 26.721 1.00 32.14 C ATOM 249 NZ LYS A 675 12.590 18.862 27.956 1.00 37.33 N ATOM 250 HZ1 LYS A 675 12.637 18.066 28.623 1.00 0.00 H ATOM 251 HZ2 LYS A 675 13.553 19.171 27.715 1.00 0.00 H ATOM 252 HZ3 LYS A 675 12.071 19.651 28.392 1.00 0.00 H ATOM 253 H LYS A 675 11.402 16.216 22.227 1.00 0.00 H ATOM 254 N ARG A 676 8.979 14.852 24.035 1.00 22.28 N ATOM 255 CA ARG A 676 7.648 14.571 24.673 1.00 21.89 C ATOM 256 C ARG A 676 6.723 13.752 23.766 1.00 21.67 C ATOM 257 O ARG A 676 5.558 13.518 24.142 1.00 22.86 O ATOM 258 CB ARG A 676 6.948 15.888 25.019 1.00 22.59 C ATOM 259 CG ARG A 676 7.678 16.700 26.089 1.00 23.44 C ATOM 260 CD ARG A 676 7.128 18.092 26.308 1.00 25.15 C ATOM 261 NE ARG A 676 5.784 18.063 26.894 1.00 26.94 N ATOM 262 CZ ARG A 676 4.620 18.126 26.232 1.00 27.11 C ATOM 263 NH1 ARG A 676 4.556 18.254 24.929 1.00 27.73 N ATOM 264 NH2 ARG A 676 3.480 18.100 26.931 1.00 28.30 N ATOM 265 HE ARG A 676 5.728 17.986 27.930 1.00 0.00 H ATOM 266 HH12 ARG A 676 3.631 18.299 24.456 1.00 0.00 H ATOM 267 HH11 ARG A 676 5.430 18.311 24.368 1.00 0.00 H ATOM 268 HH22 ARG A 676 2.566 18.148 26.437 1.00 0.00 H ATOM 269 HH21 ARG A 676 3.508 18.032 27.968 1.00 0.00 H ATOM 270 H ARG A 676 9.041 15.603 23.318 1.00 0.00 H ATOM 271 N GLY A 677 7.196 13.280 22.609 1.00 20.23 N ATOM 272 CA GLY A 677 6.369 12.541 21.709 1.00 21.08 C ATOM 273 C GLY A 677 5.544 13.362 20.703 1.00 21.15 C ATOM 274 O GLY A 677 4.637 12.829 20.037 1.00 22.53 O ATOM 275 H GLY A 677 8.190 13.455 22.358 1.00 0.00 H ATOM 276 N ARG A 678 5.824 14.648 20.606 1.00 19.85 N ATOM 277 CA ARG A 678 5.003 15.511 19.715 1.00 19.50 C ATOM 278 C ARG A 678 5.467 15.415 18.274 1.00 19.24 C ATOM 279 O ARG A 678 6.637 15.455 17.994 1.00 19.33 O ATOM 280 CB ARG A 678 4.989 16.926 20.228 1.00 19.98 C ATOM 281 CG ARG A 678 3.985 17.831 19.564 1.00 19.79 C ATOM 282 CD ARG A 678 3.658 19.077 20.347 1.00 21.13 C ATOM 283 NE ARG A 678 4.840 19.938 20.553 1.00 21.11 N ATOM 284 CZ ARG A 678 5.281 20.865 19.719 1.00 20.66 C ATOM 285 NH1 ARG A 678 4.601 21.131 18.625 1.00 22.43 N ATOM 286 NH2 ARG A 678 6.368 21.567 20.029 1.00 23.66 N ATOM 287 HE ARG A 678 5.375 19.803 21.435 1.00 0.00 H ATOM 288 HH12 ARG A 678 4.942 21.859 17.965 1.00 0.00 H ATOM 289 HH11 ARG A 678 3.722 20.614 18.420 1.00 0.00 H ATOM 290 HH22 ARG A 678 6.719 22.297 19.377 1.00 0.00 H ATOM 291 HH21 ARG A 678 6.867 21.386 20.923 1.00 0.00 H ATOM 292 H ARG A 678 6.613 15.055 21.148 1.00 0.00 H ATOM 293 N ARG A 679 4.525 15.191 17.379 1.00 19.38 N ATOM 294 CA ARG A 679 4.838 15.013 15.957 1.00 20.53 C ATOM 295 C ARG A 679 4.917 16.370 15.288 1.00 18.32 C ATOM 296 O ARG A 679 3.895 16.992 14.839 1.00 19.02 O ATOM 297 CB ARG A 679 3.712 14.192 15.368 1.00 23.18 C ATOM 298 CG ARG A 679 4.033 13.579 14.054 1.00 30.63 C ATOM 299 CD ARG A 679 3.219 12.287 13.983 1.00 36.78 C ATOM 300 NE ARG A 679 3.885 11.321 13.155 1.00 42.17 N ATOM 301 CZ ARG A 679 3.548 10.990 11.897 1.00 44.08 C ATOM 302 NH1 ARG A 679 2.484 11.519 11.250 1.00 43.03 N ATOM 303 NH2 ARG A 679 4.282 10.069 11.284 1.00 44.02 N ATOM 304 HE ARG A 679 4.705 10.832 13.568 1.00 0.00 H ATOM 305 HH12 ARG A 679 2.270 11.226 10.275 1.00 0.00 H ATOM 306 HH11 ARG A 679 1.880 12.219 11.727 1.00 0.00 H ATOM 307 HH22 ARG A 679 4.053 9.785 10.310 1.00 0.00 H ATOM 308 HH21 ARG A 679 5.086 9.631 11.778 1.00 0.00 H ATOM 309 H ARG A 679 3.534 15.139 17.689 1.00 0.00 H ATOM 310 N LEU A 680 6.122 16.924 15.206 1.00 17.45 N ATOM 311 CA LEU A 680 6.294 18.305 14.817 1.00 17.94 C ATOM 312 C LEU A 680 5.929 18.566 13.352 1.00 17.08 C ATOM 313 O LEU A 680 5.582 19.718 13.032 1.00 18.03 O ATOM 314 CB LEU A 680 7.706 18.817 15.080 1.00 18.73 C ATOM 315 CG LEU A 680 8.306 18.693 16.466 1.00 19.90 C ATOM 316 CD1 LEU A 680 9.662 19.373 16.481 1.00 20.87 C ATOM 317 CD2 LEU A 680 7.410 19.115 17.588 1.00 20.57 C ATOM 318 H LEU A 680 6.961 16.350 15.427 1.00 0.00 H ATOM 319 N SER A 681 5.923 17.541 12.493 1.00 16.39 N ATOM 320 CA SER A 681 5.634 17.757 11.069 1.00 16.63 C ATOM 321 C SER A 681 4.171 18.085 10.771 1.00 15.56 C ATOM 322 O SER A 681 3.842 18.609 9.721 1.00 16.40 O ATOM 323 CB SER A 681 5.979 16.529 10.217 1.00 16.05 C ATOM 324 OG SER A 681 5.120 15.433 10.572 1.00 19.35 O ATOM 325 HG SER A 681 5.348 14.644 10.019 1.00 0.00 H ATOM 326 H SER A 681 6.125 16.581 12.837 1.00 0.00 H ATOM 327 N ALA A 682 3.265 17.752 11.714 1.00 16.25 N ATOM 328 CA ALA A 682 1.856 17.735 11.392 1.00 16.55 C ATOM 329 C ALA A 682 1.354 19.056 10.834 1.00 17.70 C ATOM 330 O ALA A 682 0.577 19.036 9.823 1.00 17.67 O ATOM 331 CB ALA A 682 1.034 17.356 12.622 1.00 16.74 C ATOM 332 H ALA A 682 3.581 17.507 12.674 1.00 0.00 H ATOM 333 N ILE A 683 1.761 20.182 11.450 1.00 16.81 N ATOM 334 CA ILE A 683 1.324 21.496 10.988 1.00 16.90 C ATOM 335 C ILE A 683 1.808 21.868 9.589 1.00 15.27 C ATOM 336 O ILE A 683 1.246 22.777 8.948 1.00 16.62 O ATOM 337 CB ILE A 683 1.685 22.587 12.041 1.00 18.05 C ATOM 338 CG1 ILE A 683 0.865 23.867 11.917 1.00 21.53 C ATOM 339 CG2 ILE A 683 3.166 22.821 12.107 1.00 19.78 C ATOM 340 CD1 ILE A 683 0.931 24.717 13.170 1.00 25.01 C ATOM 341 H ILE A 683 2.398 20.114 12.269 1.00 0.00 H ATOM 342 N PHE A 684 2.872 21.210 9.141 1.00 14.05 N ATOM 343 CA PHE A 684 3.551 21.540 7.882 1.00 14.43 C ATOM 344 C PHE A 684 3.051 20.796 6.644 1.00 15.08 C ATOM 345 O PHE A 684 3.497 21.036 5.499 1.00 15.05 O ATOM 346 CB PHE A 684 5.061 21.323 7.955 1.00 14.70 C ATOM 347 CG PHE A 684 5.752 22.207 8.997 1.00 15.05 C ATOM 348 CD1 PHE A 684 6.083 23.516 8.712 1.00 15.98 C ATOM 349 CD2 PHE A 684 6.039 21.712 10.245 1.00 15.80 C ATOM 350 CE1 PHE A 684 6.683 24.323 9.680 1.00 17.31 C ATOM 351 CE2 PHE A 684 6.654 22.519 11.244 1.00 16.60 C ATOM 352 CZ PHE A 684 6.935 23.807 10.973 1.00 16.05 C ATOM 353 H PHE A 684 3.242 20.422 9.710 1.00 0.00 H ATOM 354 N LEU A 685 2.164 19.830 6.849 1.00 15.51 N ATOM 355 CA LEU A 685 1.643 19.071 5.674 1.00 16.52 C ATOM 356 C LEU A 685 0.957 19.947 4.649 1.00 15.53 C ATOM 357 O LEU A 685 1.185 19.791 3.458 1.00 16.15 O ATOM 358 CB LEU A 685 0.678 17.968 6.120 1.00 18.12 C ATOM 359 CG LEU A 685 1.301 16.657 6.431 1.00 20.00 C ATOM 360 CD1 LEU A 685 1.705 15.999 5.087 1.00 22.19 C ATOM 361 CD2 LEU A 685 2.575 16.720 7.222 1.00 21.25 C ATOM 362 H LEU A 685 1.838 19.606 7.811 1.00 0.00 H ATOM 363 N ARG A 686 0.141 20.899 5.102 1.00 15.38 N ATOM 364 CA ARG A 686 -0.740 21.686 4.249 1.00 16.28 C ATOM 365 C ARG A 686 -0.774 23.162 4.592 1.00 17.35 C ATOM 366 O ARG A 686 -1.106 23.519 5.705 1.00 18.11 O ATOM 367 CB ARG A 686 -2.177 21.124 4.353 1.00 17.32 C ATOM 368 CG ARG A 686 -3.085 21.767 3.286 1.00 19.17 C ATOM 369 CD ARG A 686 -4.444 21.120 3.183 1.00 20.97 C ATOM 370 NE ARG A 686 -4.309 19.762 2.846 1.00 21.27 N ATOM 371 CZ ARG A 686 -5.216 18.826 3.086 1.00 24.22 C ATOM 372 NH1 ARG A 686 -6.431 19.169 3.509 1.00 26.54 N ATOM 373 NH2 ARG A 686 -4.925 17.588 2.819 1.00 23.08 N ATOM 374 HE ARG A 686 -3.431 19.470 2.372 1.00 0.00 H ATOM 375 HH12 ARG A 686 -7.143 18.434 3.697 1.00 0.00 H ATOM 376 HH11 ARG A 686 -6.668 20.172 3.651 1.00 0.00 H ATOM 377 HH22 ARG A 686 -5.623 16.839 3.000 1.00 0.00 H ATOM 378 HH21 ARG A 686 -3.994 17.346 2.424 1.00 0.00 H ATOM 379 H ARG A 686 0.133 21.091 6.124 1.00 0.00 H ATOM 380 N LEU A 687 -0.360 24.009 3.654 1.00 17.30 N ATOM 381 CA LEU A 687 -0.430 25.429 3.799 1.00 18.42 C ATOM 382 C LEU A 687 -1.863 25.870 3.476 1.00 18.25 C ATOM 383 O LEU A 687 -2.467 25.309 2.546 1.00 22.19 O ATOM 384 CB LEU A 687 0.543 26.090 2.821 1.00 18.50 C ATOM 385 CG LEU A 687 0.786 27.589 2.931 1.00 20.50 C ATOM 386 CD1 LEU A 687 1.495 27.915 4.220 1.00 21.26 C ATOM 387 CD2 LEU A 687 1.570 28.089 1.720 1.00 21.01 C ATOM 388 H LEU A 687 0.033 23.620 2.773 1.00 0.00 H ATOM 389 N PRO A 688 -2.422 26.862 4.204 1.00 18.88 N ATOM 390 CA PRO A 688 -3.749 27.374 3.787 1.00 18.84 C ATOM 391 C PRO A 688 -3.737 27.955 2.396 1.00 20.07 C ATOM 392 O PRO A 688 -2.688 28.377 1.945 1.00 20.54 O ATOM 393 CB PRO A 688 -4.090 28.424 4.844 1.00 19.23 C ATOM 394 CG PRO A 688 -3.172 28.163 5.942 1.00 18.49 C ATOM 395 CD PRO A 688 -1.936 27.521 5.399 1.00 18.54 C ATOM 396 N SER A 689 -4.905 28.020 1.742 1.00 20.49 N ATOM 397 CA SER A 689 -4.960 28.457 0.386 1.00 23.70 C ATOM 398 C SER A 689 -4.835 30.025 0.335 1.00 23.64 C ATOM 399 O SER A 689 -4.955 30.709 1.329 1.00 21.51 O ATOM 400 CB SER A 689 -6.321 28.075 -0.184 1.00 26.14 C ATOM 401 OG SER A 689 -7.289 28.895 0.438 1.00 28.46 O ATOM 402 HG SER A 689 -7.269 28.744 1.416 1.00 0.00 H ATOM 403 H SER A 689 -5.782 27.748 2.230 1.00 0.00 H ATOM 404 N ARG A 690 -4.659 30.534 -0.864 1.00 25.41 N ATOM 405 CA ARG A 690 -4.624 31.979 -1.084 1.00 27.23 C ATOM 406 C ARG A 690 -5.856 32.727 -0.528 1.00 26.89 C ATOM 407 O ARG A 690 -5.747 33.880 -0.102 1.00 26.59 O ATOM 408 CB ARG A 690 -4.457 32.249 -2.564 1.00 32.01 C ATOM 409 CG ARG A 690 -3.135 31.728 -3.094 1.00 35.23 C ATOM 410 CD ARG A 690 -3.054 31.730 -4.628 1.00 37.81 C ATOM 411 NE ARG A 690 -1.740 31.227 -5.029 1.00 40.86 N ATOM 412 CZ ARG A 690 -0.622 31.960 -5.073 1.00 42.36 C ATOM 413 NH1 ARG A 690 -0.621 33.273 -4.780 1.00 42.98 N ATOM 414 NH2 ARG A 690 0.516 31.371 -5.429 1.00 43.92 N ATOM 415 HE ARG A 690 -1.670 30.225 -5.300 1.00 0.00 H ATOM 416 HH12 ARG A 690 0.266 33.815 -4.824 1.00 0.00 H ATOM 417 HH11 ARG A 690 -1.507 33.746 -4.510 1.00 0.00 H ATOM 418 HH22 ARG A 690 1.397 31.923 -5.470 1.00 0.00 H ATOM 419 HH21 ARG A 690 0.525 30.359 -5.667 1.00 0.00 H ATOM 420 H ARG A 690 -4.542 29.894 -1.675 1.00 0.00 H ATOM 421 N SER A 691 -7.015 32.101 -0.595 1.00 25.49 N ATOM 422 CA SER A 691 -8.259 32.720 -0.099 1.00 25.79 C ATOM 423 C SER A 691 -8.342 32.737 1.427 1.00 24.73 C ATOM 424 O SER A 691 -8.947 33.619 2.031 1.00 23.72 O ATOM 425 CB SER A 691 -9.481 32.010 -0.679 1.00 27.18 C ATOM 426 OG SER A 691 -9.520 32.166 -2.078 1.00 28.32 O ATOM 427 HG SER A 691 -8.701 31.777 -2.475 1.00 0.00 H ATOM 428 H SER A 691 -7.053 31.147 -1.008 1.00 0.00 H ATOM 429 N GLU A 692 -7.731 31.742 2.061 1.00 23.75 N ATOM 430 CA GLU A 692 -7.767 31.589 3.502 1.00 24.91 C ATOM 431 C GLU A 692 -6.707 32.452 4.163 1.00 21.59 C ATOM 432 O GLU A 692 -6.920 32.946 5.240 1.00 22.50 O ATOM 433 CB GLU A 692 -7.505 30.102 3.878 1.00 26.23 C ATOM 434 CG GLU A 692 -8.539 29.122 3.338 1.00 29.72 C ATOM 435 CD GLU A 692 -8.208 27.672 3.652 1.00 31.84 C ATOM 436 OE1 GLU A 692 -7.111 27.156 3.319 1.00 29.93 O ATOM 437 OE2 GLU A 692 -9.104 27.020 4.199 1.00 36.06 O ATOM 438 H GLU A 692 -7.204 31.043 1.499 1.00 0.00 H ATOM 439 N LEU A 693 -5.569 32.676 3.500 1.00 20.74 N ATOM 440 CA LEU A 693 -4.448 33.313 4.154 1.00 19.77 C ATOM 441 C LEU A 693 -3.684 34.135 3.105 1.00 20.01 C ATOM 442 O LEU A 693 -2.508 33.906 2.809 1.00 19.03 O ATOM 443 CB LEU A 693 -3.555 32.270 4.821 1.00 19.73 C ATOM 444 CG LEU A 693 -2.625 32.854 5.878 1.00 19.53 C ATOM 445 CD1 LEU A 693 -3.372 33.273 7.141 1.00 20.58 C ATOM 446 CD2 LEU A 693 -1.542 31.823 6.206 1.00 21.95 C ATOM 447 H LEU A 693 -5.489 32.389 2.504 1.00 0.00 H ATOM 448 N PRO A 694 -4.373 35.110 2.489 1.00 20.04 N ATOM 449 CA PRO A 694 -3.743 35.849 1.429 1.00 20.03 C ATOM 450 C PRO A 694 -2.473 36.582 1.810 1.00 19.73 C ATOM 451 O PRO A 694 -1.564 36.693 0.947 1.00 20.02 O ATOM 452 CB PRO A 694 -4.826 36.850 0.950 1.00 21.24 C ATOM 453 CG PRO A 694 -5.650 37.001 2.173 1.00 21.52 C ATOM 454 CD PRO A 694 -5.711 35.633 2.811 1.00 21.13 C ATOM 455 N ASP A 695 -2.351 37.086 3.013 1.00 19.60 N ATOM 456 CA ASP A 695 -1.155 37.844 3.385 1.00 21.56 C ATOM 457 C ASP A 695 0.113 36.976 3.333 1.00 20.93 C ATOM 458 O ASP A 695 1.220 37.491 3.090 1.00 20.55 O ATOM 459 CB ASP A 695 -1.314 38.626 4.693 1.00 23.71 C ATOM 460 CG ASP A 695 -0.941 37.849 5.934 1.00 25.52 C ATOM 461 OD1 ASP A 695 -1.404 36.722 6.104 1.00 25.29 O ATOM 462 OD2 ASP A 695 -0.190 38.408 6.744 1.00 29.93 O ATOM 463 H ASP A 695 -3.110 36.946 3.710 1.00 0.00 H ATOM 464 N TYR A 696 -0.049 35.654 3.436 1.00 19.00 N ATOM 465 CA TYR A 696 1.131 34.721 3.399 1.00 18.03 C ATOM 466 C TYR A 696 1.751 34.804 2.011 1.00 18.79 C ATOM 467 O TYR A 696 2.956 34.877 1.821 1.00 19.03 O ATOM 468 CB TYR A 696 0.657 33.320 3.648 1.00 17.92 C ATOM 469 CG TYR A 696 1.773 32.341 3.926 1.00 16.72 C ATOM 470 CD1 TYR A 696 2.459 31.687 2.918 1.00 16.71 C ATOM 471 CD2 TYR A 696 2.139 32.073 5.249 1.00 17.00 C ATOM 472 CE1 TYR A 696 3.500 30.793 3.209 1.00 16.06 C ATOM 473 CE2 TYR A 696 3.198 31.203 5.542 1.00 16.43 C ATOM 474 CZ TYR A 696 3.838 30.534 4.526 1.00 17.21 C ATOM 475 OH TYR A 696 4.859 29.618 4.836 1.00 16.22 O ATOM 476 HH TYR A 696 5.214 29.226 3.999 1.00 0.00 H ATOM 477 H TYR A 696 -1.007 35.263 3.544 1.00 0.00 H ATOM 478 N TYR A 697 0.883 34.881 1.021 1.00 18.93 N ATOM 479 CA TYR A 697 1.306 34.855 -0.408 1.00 19.76 C ATOM 480 C TYR A 697 1.826 36.207 -0.864 1.00 20.55 C ATOM 481 O TYR A 697 2.498 36.309 -1.879 1.00 22.52 O ATOM 482 CB TYR A 697 0.115 34.402 -1.287 1.00 20.43 C ATOM 483 CG TYR A 697 -0.243 32.957 -1.036 1.00 20.08 C ATOM 484 CD1 TYR A 697 -1.059 32.580 0.039 1.00 20.83 C ATOM 485 CD2 TYR A 697 0.302 31.931 -1.778 1.00 20.26 C ATOM 486 CE1 TYR A 697 -1.352 31.287 0.324 1.00 19.34 C ATOM 487 CE2 TYR A 697 -0.017 30.617 -1.487 1.00 20.98 C ATOM 488 CZ TYR A 697 -0.842 30.293 -0.432 1.00 20.07 C ATOM 489 OH TYR A 697 -1.187 28.975 -0.165 1.00 20.63 O ATOM 490 HH TYR A 697 -1.782 28.945 0.626 1.00 0.00 H ATOM 491 H TYR A 697 -0.129 34.963 1.245 1.00 0.00 H ATOM 492 N LEU A 698 1.541 37.262 -0.125 1.00 21.05 N ATOM 493 CA LEU A 698 2.146 38.559 -0.427 1.00 22.36 C ATOM 494 C LEU A 698 3.621 38.562 -0.110 1.00 23.41 C ATOM 495 O LEU A 698 4.446 39.083 -0.911 1.00 23.73 O ATOM 496 CB LEU A 698 1.448 39.694 0.369 1.00 23.44 C ATOM 497 CG LEU A 698 0.069 40.087 -0.101 1.00 24.89 C ATOM 498 CD1 LEU A 698 -0.425 41.130 0.886 1.00 25.83 C ATOM 499 CD2 LEU A 698 0.032 40.615 -1.553 1.00 24.94 C ATOM 500 H LEU A 698 0.883 37.171 0.676 1.00 0.00 H ATOM 501 N THR A 699 3.996 38.067 1.060 1.00 22.17 N ATOM 502 CA THR A 699 5.385 38.193 1.484 1.00 24.12 C ATOM 503 C THR A 699 6.225 36.947 1.356 1.00 21.58 C ATOM 504 O THR A 699 7.468 37.085 1.267 1.00 23.49 O ATOM 505 CB THR A 699 5.475 38.726 2.883 1.00 27.04 C ATOM 506 OG1 THR A 699 4.670 37.882 3.699 1.00 27.69 O ATOM 507 CG2 THR A 699 4.894 40.214 2.885 1.00 30.01 C ATOM 508 HG1 THR A 699 3.735 37.905 3.374 1.00 0.00 H ATOM 509 H THR A 699 3.303 37.591 1.673 1.00 0.00 H ATOM 510 N ILE A 700 5.613 35.771 1.225 1.00 19.07 N ATOM 511 CA ILE A 700 6.401 34.570 1.010 1.00 18.76 C ATOM 512 C ILE A 700 6.400 34.227 -0.473 1.00 19.06 C ATOM 513 O ILE A 700 5.364 33.865 -1.030 1.00 20.41 O ATOM 514 CB ILE A 700 5.831 33.394 1.837 1.00 19.23 C ATOM 515 CG1 ILE A 700 5.743 33.791 3.363 1.00 20.65 C ATOM 516 CG2 ILE A 700 6.586 32.096 1.531 1.00 19.81 C ATOM 517 CD1 ILE A 700 7.120 33.954 4.082 1.00 22.77 C ATOM 518 H ILE A 700 4.576 35.713 1.276 1.00 0.00 H ATOM 519 N LYS A 701 7.567 34.360 -1.121 1.00 19.91 N ATOM 520 CA LYS A 701 7.594 34.307 -2.558 1.00 20.96 C ATOM 521 C LYS A 701 7.512 32.943 -3.154 1.00 21.70 C ATOM 522 O LYS A 701 6.962 32.803 -4.263 1.00 21.97 O ATOM 523 CB LYS A 701 8.822 35.046 -3.065 1.00 23.17 C ATOM 524 CG LYS A 701 8.865 36.500 -2.543 1.00 25.32 C ATOM 525 CD LYS A 701 7.568 37.324 -2.726 1.00 27.81 C ATOM 526 CE LYS A 701 7.736 38.782 -2.275 1.00 30.09 C ATOM 527 NZ LYS A 701 8.675 39.486 -3.182 1.00 30.60 N ATOM 528 HZ1 LYS A 701 9.600 39.010 -3.159 1.00 0.00 H ATOM 529 HZ2 LYS A 701 8.298 39.467 -4.151 1.00 0.00 H ATOM 530 HZ3 LYS A 701 8.783 40.472 -2.870 1.00 0.00 H ATOM 531 H LYS A 701 8.448 34.501 -0.587 1.00 0.00 H ATOM 532 N LYS A 702 7.911 31.912 -2.374 1.00 20.10 N ATOM 533 CA LYS A 702 7.847 30.546 -2.873 1.00 21.56 C ATOM 534 C LYS A 702 7.132 29.656 -1.824 1.00 20.89 C ATOM 535 O LYS A 702 7.772 28.959 -1.070 1.00 19.80 O ATOM 536 CB LYS A 702 9.244 30.007 -3.196 1.00 25.37 C ATOM 537 CG LYS A 702 9.886 30.775 -4.352 1.00 31.39 C ATOM 538 CD LYS A 702 11.274 30.272 -4.705 1.00 36.26 C ATOM 539 CE LYS A 702 11.702 30.883 -6.041 1.00 41.19 C ATOM 540 NZ LYS A 702 13.077 30.413 -6.409 1.00 45.26 N ATOM 541 HZ1 LYS A 702 13.750 30.702 -5.671 1.00 0.00 H ATOM 542 HZ2 LYS A 702 13.077 29.376 -6.493 1.00 0.00 H ATOM 543 HZ3 LYS A 702 13.355 30.835 -7.318 1.00 0.00 H ATOM 544 H LYS A 702 8.265 32.096 -1.414 1.00 0.00 H ATOM 545 N PRO A 703 5.817 29.724 -1.778 1.00 20.01 N ATOM 546 CA PRO A 703 5.044 28.874 -0.837 1.00 19.93 C ATOM 547 C PRO A 703 5.310 27.406 -1.014 1.00 19.13 C ATOM 548 O PRO A 703 5.465 26.929 -2.144 1.00 20.03 O ATOM 549 CB PRO A 703 3.618 29.209 -1.176 1.00 20.98 C ATOM 550 CG PRO A 703 3.712 30.595 -1.792 1.00 22.13 C ATOM 551 CD PRO A 703 4.946 30.610 -2.554 1.00 22.35 C ATOM 552 N MET A 704 5.385 26.706 0.126 1.00 17.76 N ATOM 553 CA MET A 704 5.812 25.294 0.150 1.00 17.92 C ATOM 554 C MET A 704 5.197 24.599 1.340 1.00 16.49 C ATOM 555 O MET A 704 5.028 25.177 2.397 1.00 16.16 O ATOM 556 CB MET A 704 7.350 25.281 0.253 1.00 18.79 C ATOM 557 CG MET A 704 7.990 23.950 0.040 1.00 20.44 C ATOM 558 SD MET A 704 7.622 23.153 -1.549 1.00 23.54 S ATOM 559 CE MET A 704 8.381 24.367 -2.548 1.00 23.81 C ATOM 560 H MET A 704 5.135 27.172 1.021 1.00 0.00 H ATOM 561 N ASP A 705 4.721 23.361 1.115 1.00 15.84 N ATOM 562 CA ASP A 705 4.249 22.506 2.193 1.00 15.47 C ATOM 563 C ASP A 705 4.678 21.090 1.914 1.00 14.88 C ATOM 564 O ASP A 705 5.250 20.782 0.828 1.00 14.81 O ATOM 565 CB ASP A 705 2.752 22.666 2.484 1.00 16.24 C ATOM 566 CG ASP A 705 1.851 22.259 1.341 1.00 17.83 C ATOM 567 OD1 ASP A 705 2.275 21.454 0.475 1.00 18.28 O ATOM 568 OD2 ASP A 705 0.677 22.736 1.324 1.00 17.85 O ATOM 569 H ASP A 705 4.689 23.004 0.139 1.00 0.00 H ATOM 570 N MET A 706 4.516 20.210 2.887 1.00 14.88 N ATOM 571 CA MET A 706 5.051 18.844 2.710 1.00 15.88 C ATOM 572 C MET A 706 4.222 18.035 1.713 1.00 16.13 C ATOM 573 O MET A 706 4.813 17.197 1.014 1.00 16.95 O ATOM 574 CB MET A 706 5.175 18.115 4.049 1.00 16.75 C ATOM 575 CG MET A 706 6.329 18.664 4.829 1.00 17.04 C ATOM 576 SD MET A 706 6.529 17.906 6.463 1.00 18.40 S ATOM 577 CE MET A 706 6.934 16.273 6.028 1.00 17.38 C ATOM 578 H MET A 706 4.020 20.475 3.762 1.00 0.00 H ATOM 579 N GLU A 707 2.952 18.338 1.518 1.00 15.84 N ATOM 580 CA GLU A 707 2.172 17.705 0.464 1.00 17.22 C ATOM 581 C GLU A 707 2.794 18.010 -0.914 1.00 17.46 C ATOM 582 O GLU A 707 2.868 17.134 -1.778 1.00 18.40 O ATOM 583 CB GLU A 707 0.709 18.143 0.567 1.00 18.26 C ATOM 584 CG GLU A 707 -0.017 17.365 1.632 1.00 19.17 C ATOM 585 CD GLU A 707 -1.499 17.699 1.764 1.00 22.94 C ATOM 586 OE1 GLU A 707 -1.939 18.768 1.353 1.00 22.78 O ATOM 587 OE2 GLU A 707 -2.211 16.829 2.378 1.00 23.65 O ATOM 588 H GLU A 707 2.498 19.045 2.131 1.00 0.00 H ATOM 589 N LYS A 708 3.223 19.253 -1.157 1.00 17.02 N ATOM 590 CA LYS A 708 3.776 19.626 -2.437 1.00 18.92 C ATOM 591 C LYS A 708 5.091 18.936 -2.667 1.00 17.73 C ATOM 592 O LYS A 708 5.381 18.475 -3.771 1.00 17.70 O ATOM 593 CB LYS A 708 3.956 21.160 -2.490 1.00 21.47 C ATOM 594 CG LYS A 708 4.500 21.700 -3.806 1.00 26.79 C ATOM 595 CD LYS A 708 4.519 23.212 -3.720 1.00 32.18 C ATOM 596 CE LYS A 708 5.264 23.920 -4.841 1.00 36.85 C ATOM 597 NZ LYS A 708 5.247 25.357 -4.461 1.00 39.35 N ATOM 598 HZ1 LYS A 708 4.262 25.683 -4.386 1.00 0.00 H ATOM 599 HZ2 LYS A 708 5.724 25.478 -3.545 1.00 0.00 H ATOM 600 HZ3 LYS A 708 5.743 25.912 -5.187 1.00 0.00 H ATOM 601 H LYS A 708 3.157 19.969 -0.405 1.00 0.00 H ATOM 602 N ILE A 709 5.951 18.917 -1.639 1.00 15.64 N ATOM 603 CA ILE A 709 7.201 18.188 -1.744 1.00 15.92 C ATOM 604 C ILE A 709 6.970 16.722 -2.063 1.00 15.97 C ATOM 605 O ILE A 709 7.627 16.147 -2.938 1.00 17.01 O ATOM 606 CB ILE A 709 7.998 18.327 -0.433 1.00 16.19 C ATOM 607 CG1 ILE A 709 8.440 19.761 -0.280 1.00 17.13 C ATOM 608 CG2 ILE A 709 9.211 17.418 -0.425 1.00 17.09 C ATOM 609 CD1 ILE A 709 9.100 20.166 1.071 1.00 16.48 C ATOM 610 H ILE A 709 5.721 19.427 -0.762 1.00 0.00 H ATOM 611 N ARG A 710 6.095 16.116 -1.283 1.00 16.59 N ATOM 612 CA ARG A 710 5.825 14.660 -1.506 1.00 17.93 C ATOM 613 C ARG A 710 5.332 14.393 -2.924 1.00 18.81 C ATOM 614 O ARG A 710 5.714 13.370 -3.566 1.00 17.75 O ATOM 615 CB ARG A 710 4.752 14.185 -0.494 1.00 19.45 C ATOM 616 CG ARG A 710 4.535 12.680 -0.412 1.00 20.72 C ATOM 617 CD ARG A 710 3.324 12.325 0.465 1.00 21.31 C ATOM 618 NE ARG A 710 2.095 12.797 -0.197 1.00 23.48 N ATOM 619 CZ ARG A 710 1.025 13.266 0.461 1.00 23.70 C ATOM 620 NH1 ARG A 710 0.998 13.277 1.792 1.00 25.20 N ATOM 621 NH2 ARG A 710 -0.042 13.680 -0.179 1.00 26.14 N ATOM 622 HE ARG A 710 2.055 12.764 -1.236 1.00 0.00 H ATOM 623 HH12 ARG A 710 0.163 13.643 2.292 1.00 0.00 H ATOM 624 HH11 ARG A 710 1.812 12.920 2.332 1.00 0.00 H ATOM 625 HH22 ARG A 710 -0.860 14.040 0.353 1.00 0.00 H ATOM 626 HH21 ARG A 710 -0.070 13.649 -1.218 1.00 0.00 H ATOM 627 H ARG A 710 5.604 16.638 -0.530 1.00 0.00 H ATOM 628 N SER A 711 4.457 15.245 -3.434 1.00 18.25 N ATOM 629 CA SER A 711 3.892 15.035 -4.781 1.00 20.79 C ATOM 630 C SER A 711 4.964 15.164 -5.830 1.00 20.60 C ATOM 631 O SER A 711 5.080 14.313 -6.727 1.00 22.32 O ATOM 632 CB SER A 711 2.763 16.019 -5.080 1.00 21.86 C ATOM 633 OG SER A 711 1.720 15.764 -4.135 1.00 27.55 O ATOM 634 HG SER A 711 2.067 15.899 -3.218 1.00 0.00 H ATOM 635 H SER A 711 4.164 16.074 -2.878 1.00 0.00 H ATOM 636 N HIS A 712 5.866 16.120 -5.624 1.00 19.53 N ATOM 637 CA HIS A 712 6.986 16.292 -6.527 1.00 19.77 C ATOM 638 C HIS A 712 7.875 15.014 -6.482 1.00 19.81 C ATOM 639 O HIS A 712 8.378 14.530 -7.509 1.00 20.87 O ATOM 640 CB HIS A 712 7.778 17.528 -6.171 1.00 21.31 C ATOM 641 CG HIS A 712 8.551 18.109 -7.324 1.00 25.07 C ATOM 642 ND1 HIS A 712 9.927 18.051 -7.429 1.00 28.34 N ATOM 643 CD2 HIS A 712 8.123 18.851 -8.366 1.00 25.97 C ATOM 644 CE1 HIS A 712 10.311 18.668 -8.542 1.00 28.03 C ATOM 645 NE2 HIS A 712 9.230 19.160 -9.125 1.00 28.16 N ATOM 646 H HIS A 712 5.766 16.752 -4.804 1.00 0.00 H ATOM 647 N MET A 713 8.091 14.517 -5.307 1.00 17.98 N ATOM 648 CA MET A 713 8.963 13.362 -5.125 1.00 20.50 C ATOM 649 C MET A 713 8.320 12.152 -5.797 1.00 21.31 C ATOM 650 O MET A 713 9.004 11.419 -6.576 1.00 21.32 O ATOM 651 CB MET A 713 9.199 13.101 -3.648 1.00 21.33 C ATOM 652 CG MET A 713 9.842 11.728 -3.354 1.00 23.04 C ATOM 653 SD MET A 713 9.931 11.383 -1.571 1.00 26.86 S ATOM 654 CE MET A 713 8.202 11.221 -1.130 1.00 24.61 C ATOM 655 H MET A 713 7.635 14.949 -4.478 1.00 0.00 H ATOM 656 N MET A 714 7.036 11.963 -5.569 1.00 21.15 N ATOM 657 CA MET A 714 6.363 10.756 -6.086 1.00 24.09 C ATOM 658 C MET A 714 6.268 10.811 -7.612 1.00 25.29 C ATOM 659 O MET A 714 6.275 9.754 -8.243 1.00 26.78 O ATOM 660 CB MET A 714 5.018 10.534 -5.356 1.00 26.10 C ATOM 661 CG MET A 714 5.264 9.669 -4.080 1.00 27.61 C ATOM 662 SD MET A 714 3.891 9.570 -2.962 1.00 31.15 S ATOM 663 CE MET A 714 4.759 9.179 -1.442 1.00 32.77 C ATOM 664 H MET A 714 6.496 12.665 -5.024 1.00 0.00 H ATOM 665 N ALA A 715 6.254 12.009 -8.192 1.00 24.18 N ATOM 666 CA ALA A 715 6.267 12.209 -9.650 1.00 26.37 C ATOM 667 C ALA A 715 7.614 12.056 -10.341 1.00 26.81 C ATOM 668 O ALA A 715 7.696 12.256 -11.534 1.00 26.79 O ATOM 669 CB ALA A 715 5.676 13.554 -9.993 1.00 25.72 C ATOM 670 H ALA A 715 6.233 12.850 -7.581 1.00 0.00 H ATOM 671 N ASN A 716 8.648 11.747 -9.581 1.00 25.37 N ATOM 672 CA ASN A 716 9.994 11.558 -10.047 1.00 25.99 C ATOM 673 C ASN A 716 10.543 12.806 -10.650 1.00 26.23 C ATOM 674 O ASN A 716 11.239 12.738 -11.648 1.00 28.18 O ATOM 675 CB ASN A 716 10.045 10.373 -11.026 1.00 27.27 C ATOM 676 CG ASN A 716 11.428 9.760 -11.149 1.00 28.52 C ATOM 677 OD1 ASN A 716 12.339 10.026 -10.388 1.00 27.64 O ATOM 678 ND2 ASN A 716 11.584 8.922 -12.182 1.00 31.05 N ATOM 679 HD22 ASN A 716 10.782 8.718 -12.812 1.00 0.00 H ATOM 680 HD21 ASN A 716 12.507 8.475 -12.354 1.00 0.00 H ATOM 681 H ASN A 716 8.474 11.631 -8.562 1.00 0.00 H ATOM 682 N LYS A 717 10.267 13.949 -10.030 1.00 26.59 N ATOM 683 CA LYS A 717 10.701 15.217 -10.567 1.00 27.00 C ATOM 684 C LYS A 717 11.915 15.777 -9.846 1.00 25.85 C ATOM 685 O LYS A 717 12.552 16.655 -10.378 1.00 28.75 O ATOM 686 CB LYS A 717 9.538 16.210 -10.680 1.00 30.58 C ATOM 687 CG LYS A 717 8.410 15.740 -11.638 1.00 33.59 C ATOM 688 CD LYS A 717 7.104 16.539 -11.736 1.00 40.50 C ATOM 689 CE LYS A 717 6.705 17.155 -10.408 1.00 46.72 C ATOM 690 NZ LYS A 717 5.276 17.585 -10.197 1.00 52.74 N ATOM 691 HZ1 LYS A 717 5.024 18.305 -10.904 1.00 0.00 H ATOM 692 HZ2 LYS A 717 4.649 16.762 -10.300 1.00 0.00 H ATOM 693 HZ3 LYS A 717 5.173 17.983 -9.242 1.00 0.00 H ATOM 694 H LYS A 717 9.728 13.930 -9.141 1.00 0.00 H ATOM 695 N TYR A 718 12.335 15.220 -8.709 1.00 23.55 N ATOM 696 CA TYR A 718 13.611 15.649 -8.096 1.00 23.78 C ATOM 697 C TYR A 718 14.780 14.904 -8.745 1.00 25.51 C ATOM 698 O TYR A 718 14.717 13.711 -8.941 1.00 25.98 O ATOM 699 CB TYR A 718 13.620 15.397 -6.585 1.00 23.24 C ATOM 700 CG TYR A 718 12.746 16.363 -5.791 1.00 20.81 C ATOM 701 CD1 TYR A 718 13.045 17.750 -5.740 1.00 21.43 C ATOM 702 CD2 TYR A 718 11.695 15.898 -5.034 1.00 20.55 C ATOM 703 CE1 TYR A 718 12.266 18.622 -5.015 1.00 20.02 C ATOM 704 CE2 TYR A 718 10.961 16.797 -4.220 1.00 19.72 C ATOM 705 CZ TYR A 718 11.253 18.124 -4.255 1.00 20.16 C ATOM 706 OH TYR A 718 10.484 18.976 -3.545 1.00 20.20 O ATOM 707 HH TYR A 718 10.817 19.900 -3.668 1.00 0.00 H ATOM 708 H TYR A 718 11.763 14.481 -8.252 1.00 0.00 H ATOM 709 N GLN A 719 15.847 15.620 -9.059 1.00 27.96 N ATOM 710 CA GLN A 719 16.990 15.003 -9.723 1.00 29.52 C ATOM 711 C GLN A 719 17.931 14.377 -8.735 1.00 29.40 C ATOM 712 O GLN A 719 18.726 13.537 -9.113 1.00 29.64 O ATOM 713 CB GLN A 719 17.696 16.031 -10.592 1.00 36.29 C ATOM 714 CG GLN A 719 16.822 16.563 -11.741 1.00 40.45 C ATOM 715 CD GLN A 719 16.309 15.459 -12.666 1.00 44.21 C ATOM 716 OE1 GLN A 719 17.101 14.660 -13.210 1.00 45.73 O ATOM 717 NE2 GLN A 719 14.987 15.382 -12.827 1.00 45.30 N ATOM 718 HE22 GLN A 719 14.365 16.069 -12.355 1.00 0.00 H ATOM 719 HE21 GLN A 719 14.579 14.635 -13.425 1.00 0.00 H ATOM 720 H GLN A 719 15.871 16.634 -8.830 1.00 0.00 H ATOM 721 N ASP A 720 17.903 14.828 -7.482 1.00 25.52 N ATOM 722 CA ASP A 720 18.803 14.372 -6.470 1.00 25.85 C ATOM 723 C ASP A 720 18.282 14.720 -5.050 1.00 24.53 C ATOM 724 O ASP A 720 17.302 15.477 -4.897 1.00 24.01 O ATOM 725 CB ASP A 720 20.219 14.948 -6.755 1.00 27.56 C ATOM 726 CG ASP A 720 20.218 16.440 -6.896 1.00 33.16 C ATOM 727 OD1 ASP A 720 19.506 17.109 -6.138 1.00 30.24 O ATOM 728 OD2 ASP A 720 20.923 17.008 -7.784 1.00 37.43 O ATOM 729 H ASP A 720 17.194 15.545 -7.229 1.00 0.00 H ATOM 730 N ILE A 721 18.940 14.176 -4.025 1.00 23.86 N ATOM 731 CA ILE A 721 18.567 14.411 -2.624 1.00 24.47 C ATOM 732 C ILE A 721 18.648 15.917 -2.294 1.00 23.26 C ATOM 733 O ILE A 721 17.701 16.525 -1.679 1.00 20.58 O ATOM 734 CB ILE A 721 19.450 13.613 -1.638 1.00 27.14 C ATOM 735 CG1 ILE A 721 19.410 12.108 -1.912 1.00 29.83 C ATOM 736 CG2 ILE A 721 19.071 13.895 -0.187 1.00 28.40 C ATOM 737 CD1 ILE A 721 18.071 11.453 -1.669 1.00 29.99 C ATOM 738 H ILE A 721 19.752 13.559 -4.227 1.00 0.00 H ATOM 739 N ASP A 722 19.705 16.547 -2.738 1.00 23.33 N ATOM 740 CA ASP A 722 19.867 17.954 -2.456 1.00 23.70 C ATOM 741 C ASP A 722 18.738 18.869 -2.923 1.00 22.09 C ATOM 742 O ASP A 722 18.399 19.833 -2.210 1.00 22.91 O ATOM 743 CB ASP A 722 21.200 18.435 -3.005 1.00 27.01 C ATOM 744 CG ASP A 722 22.382 17.934 -2.193 1.00 32.62 C ATOM 745 OD1 ASP A 722 22.203 17.447 -1.043 1.00 35.26 O ATOM 746 OD2 ASP A 722 23.510 18.021 -2.739 1.00 40.34 O ATOM 747 H ASP A 722 20.424 16.038 -3.291 1.00 0.00 H ATOM 748 N SER A 723 18.108 18.566 -4.057 1.00 20.97 N ATOM 749 CA SER A 723 17.021 19.349 -4.612 1.00 21.60 C ATOM 750 C SER A 723 15.805 19.318 -3.662 1.00 20.44 C ATOM 751 O SER A 723 15.149 20.323 -3.445 1.00 21.24 O ATOM 752 CB SER A 723 16.628 18.795 -5.993 1.00 23.22 C ATOM 753 OG SER A 723 15.762 19.691 -6.659 1.00 24.14 O ATOM 754 HG SER A 723 15.520 19.318 -7.544 1.00 0.00 H ATOM 755 H SER A 723 18.414 17.718 -4.575 1.00 0.00 H ATOM 756 N MET A 724 15.523 18.150 -3.115 1.00 19.24 N ATOM 757 CA MET A 724 14.445 18.030 -2.162 1.00 19.17 C ATOM 758 C MET A 724 14.797 18.686 -0.871 1.00 17.73 C ATOM 759 O MET A 724 13.928 19.437 -0.290 1.00 17.73 O ATOM 760 CB MET A 724 14.052 16.576 -1.931 1.00 20.60 C ATOM 761 CG MET A 724 12.897 16.461 -0.982 1.00 20.30 C ATOM 762 SD MET A 724 12.300 14.766 -0.672 1.00 22.24 S ATOM 763 CE MET A 724 13.438 14.362 0.496 1.00 19.41 C ATOM 764 H MET A 724 16.081 17.311 -3.372 1.00 0.00 H ATOM 765 N VAL A 725 16.017 18.498 -0.365 1.00 17.79 N ATOM 766 CA VAL A 725 16.420 19.208 0.864 1.00 18.03 C ATOM 767 C VAL A 725 16.237 20.711 0.735 1.00 17.48 C ATOM 768 O VAL A 725 15.730 21.347 1.605 1.00 17.83 O ATOM 769 CB VAL A 725 17.847 18.784 1.272 1.00 19.94 C ATOM 770 CG1 VAL A 725 18.351 19.607 2.400 1.00 20.52 C ATOM 771 CG2 VAL A 725 17.859 17.289 1.610 1.00 20.95 C ATOM 772 H VAL A 725 16.683 17.852 -0.836 1.00 0.00 H ATOM 773 N GLU A 726 16.561 21.285 -0.407 1.00 17.83 N ATOM 774 CA GLU A 726 16.393 22.725 -0.651 1.00 19.73 C ATOM 775 C GLU A 726 14.925 23.182 -0.524 1.00 17.58 C ATOM 776 O GLU A 726 14.677 24.260 0.010 1.00 17.94 O ATOM 777 CB GLU A 726 16.987 23.175 -1.993 1.00 24.22 C ATOM 778 CG GLU A 726 18.513 23.085 -1.944 1.00 29.65 C ATOM 779 CD GLU A 726 19.226 24.113 -1.014 1.00 37.78 C ATOM 780 OE1 GLU A 726 18.608 25.083 -0.452 1.00 42.96 O ATOM 781 OE2 GLU A 726 20.474 23.981 -0.872 1.00 45.58 O ATOM 782 H GLU A 726 16.952 20.694 -1.168 1.00 0.00 H ATOM 783 N ASP A 727 13.969 22.369 -0.974 1.00 16.99 N ATOM 784 CA ASP A 727 12.589 22.722 -0.787 1.00 17.33 C ATOM 785 C ASP A 727 12.148 22.633 0.682 1.00 15.53 C ATOM 786 O ASP A 727 11.382 23.436 1.134 1.00 16.08 O ATOM 787 CB ASP A 727 11.675 21.841 -1.660 1.00 18.78 C ATOM 788 CG ASP A 727 11.665 22.257 -3.125 1.00 22.04 C ATOM 789 OD1 ASP A 727 12.163 23.376 -3.440 1.00 23.24 O ATOM 790 OD2 ASP A 727 11.092 21.479 -3.975 1.00 24.88 O ATOM 791 H ASP A 727 14.221 21.484 -1.458 1.00 0.00 H ATOM 792 N PHE A 728 12.616 21.641 1.416 1.00 15.41 N ATOM 793 CA PHE A 728 12.328 21.574 2.836 1.00 14.85 C ATOM 794 C PHE A 728 12.927 22.836 3.541 1.00 14.56 C ATOM 795 O PHE A 728 12.293 23.431 4.377 1.00 14.55 O ATOM 796 CB PHE A 728 12.878 20.320 3.498 1.00 15.24 C ATOM 797 CG PHE A 728 11.966 19.126 3.481 1.00 15.29 C ATOM 798 CD1 PHE A 728 10.931 19.050 4.397 1.00 15.69 C ATOM 799 CD2 PHE A 728 12.192 18.041 2.654 1.00 15.74 C ATOM 800 CE1 PHE A 728 10.156 17.974 4.500 1.00 16.53 C ATOM 801 CE2 PHE A 728 11.372 16.931 2.723 1.00 16.40 C ATOM 802 CZ PHE A 728 10.342 16.909 3.618 1.00 15.93 C ATOM 803 H PHE A 728 13.196 20.901 0.972 1.00 0.00 H ATOM 804 N VAL A 729 14.172 23.153 3.229 1.00 15.61 N ATOM 805 CA VAL A 729 14.849 24.331 3.827 1.00 15.74 C ATOM 806 C VAL A 729 14.051 25.588 3.496 1.00 15.81 C ATOM 807 O VAL A 729 13.810 26.395 4.382 1.00 15.95 O ATOM 808 CB VAL A 729 16.306 24.465 3.270 1.00 15.99 C ATOM 809 CG1 VAL A 729 16.922 25.822 3.537 1.00 17.95 C ATOM 810 CG2 VAL A 729 17.160 23.390 3.845 1.00 15.64 C ATOM 811 H VAL A 729 14.690 22.562 2.548 1.00 0.00 H ATOM 812 N MET A 730 13.584 25.695 2.272 1.00 15.65 N ATOM 813 CA MET A 730 12.725 26.846 1.907 1.00 17.09 C ATOM 814 C MET A 730 11.466 26.898 2.771 1.00 15.61 C ATOM 815 O MET A 730 11.100 27.977 3.299 1.00 15.22 O ATOM 816 CB MET A 730 12.429 26.891 0.428 1.00 18.92 C ATOM 817 CG MET A 730 11.476 27.964 0.006 1.00 21.08 C ATOM 818 SD MET A 730 12.266 29.579 -0.085 1.00 27.33 S ATOM 819 CE MET A 730 13.305 29.330 -1.529 1.00 26.63 C ATOM 820 H MET A 730 13.817 24.973 1.561 1.00 0.00 H ATOM 821 N MET A 731 10.775 25.750 2.885 1.00 14.27 N ATOM 822 CA MET A 731 9.581 25.647 3.696 1.00 14.59 C ATOM 823 C MET A 731 9.849 26.088 5.156 1.00 13.79 C ATOM 824 O MET A 731 9.101 26.856 5.739 1.00 14.08 O ATOM 825 CB MET A 731 9.056 24.201 3.655 1.00 15.92 C ATOM 826 CG MET A 731 7.818 24.052 4.380 1.00 15.74 C ATOM 827 SD MET A 731 7.209 22.347 4.465 1.00 16.89 S ATOM 828 CE MET A 731 8.319 21.705 5.716 1.00 17.89 C ATOM 829 H MET A 731 11.110 24.909 2.374 1.00 0.00 H ATOM 830 N PHE A 732 10.939 25.629 5.776 1.00 13.71 N ATOM 831 CA PHE A 732 11.192 25.991 7.180 1.00 14.59 C ATOM 832 C PHE A 732 11.617 27.453 7.330 1.00 15.18 C ATOM 833 O PHE A 732 11.188 28.111 8.286 1.00 16.93 O ATOM 834 CB PHE A 732 12.208 25.033 7.799 1.00 15.70 C ATOM 835 CG PHE A 732 11.705 23.633 7.863 1.00 15.98 C ATOM 836 CD1 PHE A 732 10.498 23.341 8.438 1.00 16.44 C ATOM 837 CD2 PHE A 732 12.495 22.577 7.435 1.00 16.60 C ATOM 838 CE1 PHE A 732 10.019 22.043 8.576 1.00 16.90 C ATOM 839 CE2 PHE A 732 12.012 21.268 7.521 1.00 15.92 C ATOM 840 CZ PHE A 732 10.818 20.993 8.101 1.00 16.19 C ATOM 841 H PHE A 732 11.608 25.017 5.267 1.00 0.00 H ATOM 842 N ASN A 733 12.352 27.953 6.373 1.00 15.42 N ATOM 843 CA ASN A 733 12.652 29.407 6.342 1.00 16.27 C ATOM 844 C ASN A 733 11.429 30.274 6.149 1.00 16.62 C ATOM 845 O ASN A 733 11.287 31.289 6.807 1.00 18.17 O ATOM 846 CB ASN A 733 13.703 29.718 5.252 1.00 17.31 C ATOM 847 CG ASN A 733 15.107 29.192 5.625 1.00 19.26 C ATOM 848 OD1 ASN A 733 15.437 28.928 6.762 1.00 20.85 O ATOM 849 ND2 ASN A 733 15.951 29.128 4.630 1.00 20.78 N ATOM 850 HD22 ASN A 733 15.637 29.361 3.666 1.00 0.00 H ATOM 851 HD21 ASN A 733 16.937 28.844 4.802 1.00 0.00 H ATOM 852 H ASN A 733 12.729 27.330 5.630 1.00 0.00 H ATOM 853 N ASN A 734 10.492 29.839 5.294 1.00 15.73 N ATOM 854 CA ASN A 734 9.253 30.531 5.121 1.00 15.45 C ATOM 855 C ASN A 734 8.533 30.545 6.445 1.00 15.26 C ATOM 856 O ASN A 734 7.959 31.560 6.823 1.00 16.78 O ATOM 857 CB ASN A 734 8.352 29.833 4.087 1.00 16.08 C ATOM 858 CG ASN A 734 8.825 29.922 2.671 1.00 15.46 C ATOM 859 OD1 ASN A 734 9.692 30.745 2.311 1.00 16.07 O ATOM 860 ND2 ASN A 734 8.211 29.112 1.817 1.00 16.35 N ATOM 861 HD22 ASN A 734 7.494 28.441 2.160 1.00 0.00 H ATOM 862 HD21 ASN A 734 8.447 29.148 0.805 1.00 0.00 H ATOM 863 H ASN A 734 10.671 28.976 4.742 1.00 0.00 H ATOM 864 N ALA A 735 8.445 29.427 7.145 1.00 14.81 N ATOM 865 CA ALA A 735 7.734 29.419 8.456 1.00 15.01 C ATOM 866 C ALA A 735 8.320 30.373 9.456 1.00 15.81 C ATOM 867 O ALA A 735 7.586 31.038 10.203 1.00 15.17 O ATOM 868 CB ALA A 735 7.721 28.006 9.061 1.00 15.13 C ATOM 869 H ALA A 735 8.872 28.552 6.781 1.00 0.00 H ATOM 870 N CYS A 736 9.647 30.488 9.449 1.00 16.00 N ATOM 871 CA CYS A 736 10.375 31.347 10.386 1.00 17.73 C ATOM 872 C CYS A 736 10.400 32.794 9.996 1.00 19.92 C ATOM 873 O CYS A 736 10.963 33.620 10.727 1.00 22.58 O ATOM 874 CB CYS A 736 11.796 30.808 10.614 1.00 19.25 C ATOM 875 SG CYS A 736 11.806 29.280 11.562 1.00 19.35 S ATOM 876 H CYS A 736 10.190 29.944 8.748 1.00 0.00 H ATOM 877 N THR A 737 9.976 33.062 8.785 1.00 18.21 N ATOM 878 CA THR A 737 9.780 34.407 8.300 1.00 19.36 C ATOM 879 C THR A 737 8.364 34.900 8.538 1.00 19.44 C ATOM 880 O THR A 737 8.163 36.068 9.043 1.00 20.00 O ATOM 881 CB THR A 737 10.130 34.464 6.834 1.00 20.47 C ATOM 882 OG1 THR A 737 11.457 34.000 6.642 1.00 22.66 O ATOM 883 CG2 THR A 737 9.977 35.912 6.275 1.00 23.03 C ATOM 884 HG1 THR A 737 11.528 33.066 6.961 1.00 0.00 H ATOM 885 H THR A 737 9.771 32.269 8.144 1.00 0.00 H ATOM 886 N TYR A 738 7.369 34.116 8.155 1.00 17.41 N ATOM 887 CA TYR A 738 5.972 34.562 8.319 1.00 17.20 C ATOM 888 C TYR A 738 5.519 34.612 9.779 1.00 17.59 C ATOM 889 O TYR A 738 4.739 35.510 10.204 1.00 18.95 O ATOM 890 CB TYR A 738 5.043 33.643 7.510 1.00 17.85 C ATOM 891 CG TYR A 738 3.610 34.027 7.620 1.00 18.24 C ATOM 892 CD1 TYR A 738 3.111 35.052 6.846 1.00 19.09 C ATOM 893 CD2 TYR A 738 2.762 33.345 8.474 1.00 18.49 C ATOM 894 CE1 TYR A 738 1.782 35.383 6.915 1.00 19.60 C ATOM 895 CE2 TYR A 738 1.421 33.708 8.570 1.00 19.08 C ATOM 896 CZ TYR A 738 0.968 34.740 7.781 1.00 19.98 C ATOM 897 OH TYR A 738 -0.339 35.128 7.838 1.00 21.11 O ATOM 898 HH TYR A 738 -0.487 35.878 7.209 1.00 0.00 H ATOM 899 H TYR A 738 7.572 33.185 7.738 1.00 0.00 H ATOM 900 N ASN A 739 6.001 33.640 10.574 1.00 15.65 N ATOM 901 CA ASN A 739 5.619 33.475 11.971 1.00 16.10 C ATOM 902 C ASN A 739 6.697 34.068 12.911 1.00 18.55 C ATOM 903 O ASN A 739 7.855 34.010 12.613 1.00 21.09 O ATOM 904 CB ASN A 739 5.353 31.980 12.268 1.00 15.78 C ATOM 905 CG ASN A 739 4.244 31.403 11.385 1.00 15.50 C ATOM 906 OD1 ASN A 739 3.066 31.651 11.631 1.00 16.93 O ATOM 907 ND2 ASN A 739 4.614 30.675 10.343 1.00 15.88 N ATOM 908 HD22 ASN A 739 5.623 30.489 10.171 1.00 0.00 H ATOM 909 HD21 ASN A 739 3.896 30.290 9.697 1.00 0.00 H ATOM 910 H ASN A 739 6.684 32.969 10.169 1.00 0.00 H ATOM 911 N GLU A 740 6.241 34.586 14.046 1.00 22.16 N ATOM 912 CA GLU A 740 7.170 35.356 14.904 1.00 25.83 C ATOM 913 C GLU A 740 8.047 34.386 15.728 1.00 22.54 C ATOM 914 O GLU A 740 7.639 33.240 15.970 1.00 20.50 O ATOM 915 CB GLU A 740 6.355 36.259 15.788 1.00 30.63 C ATOM 916 CG GLU A 740 5.296 35.533 16.612 1.00 35.32 C ATOM 917 CD GLU A 740 3.879 35.328 16.000 1.00 39.85 C ATOM 918 OE1 GLU A 740 3.662 34.852 14.779 1.00 32.62 O ATOM 919 OE2 GLU A 740 2.948 35.575 16.850 1.00 44.32 O ATOM 920 H GLU A 740 5.249 34.453 14.327 1.00 0.00 H ATOM 921 N PRO A 741 9.174 34.861 16.253 1.00 22.85 N ATOM 922 CA PRO A 741 10.003 33.967 17.024 1.00 23.99 C ATOM 923 C PRO A 741 9.419 33.375 18.264 1.00 27.43 C ATOM 924 O PRO A 741 9.859 32.313 18.675 1.00 29.65 O ATOM 925 CB PRO A 741 11.203 34.848 17.410 1.00 23.58 C ATOM 926 CG PRO A 741 11.331 35.752 16.252 1.00 24.12 C ATOM 927 CD PRO A 741 9.920 36.069 15.866 1.00 23.19 C ATOM 928 N GLU A 742 8.442 34.042 18.886 1.00 29.52 N ATOM 929 CA GLU A 742 7.750 33.471 20.067 1.00 33.81 C ATOM 930 C GLU A 742 6.786 32.349 19.725 1.00 30.99 C ATOM 931 O GLU A 742 6.316 31.641 20.630 1.00 30.72 O ATOM 932 CB GLU A 742 6.960 34.562 20.796 1.00 38.46 C ATOM 933 CG GLU A 742 7.829 35.670 21.400 1.00 43.46 C ATOM 934 CD GLU A 742 8.476 36.613 20.378 1.00 47.38 C ATOM 935 OE1 GLU A 742 7.930 36.808 19.239 1.00 45.58 O ATOM 936 OE2 GLU A 742 9.559 37.145 20.721 1.00 51.21 O ATOM 937 H GLU A 742 8.161 34.980 18.535 1.00 0.00 H ATOM 938 N SER A 743 6.449 32.169 18.439 1.00 26.00 N ATOM 939 CA SER A 743 5.413 31.212 18.100 1.00 22.92 C ATOM 940 C SER A 743 5.876 29.771 18.204 1.00 22.60 C ATOM 941 O SER A 743 7.027 29.442 17.914 1.00 23.18 O ATOM 942 CB SER A 743 4.844 31.471 16.687 1.00 22.95 C ATOM 943 OG SER A 743 5.835 31.218 15.651 1.00 20.31 O ATOM 944 HG SER A 743 6.613 31.814 15.788 1.00 0.00 H ATOM 945 H SER A 743 6.927 32.711 17.691 1.00 0.00 H ATOM 946 N LEU A 744 4.945 28.880 18.437 1.00 22.82 N ATOM 947 CA LEU A 744 5.236 27.437 18.443 1.00 22.44 C ATOM 948 C LEU A 744 5.779 26.916 17.068 1.00 19.94 C ATOM 949 O LEU A 744 6.712 26.051 16.979 1.00 20.81 O ATOM 950 CB LEU A 744 3.955 26.633 18.805 1.00 24.69 C ATOM 951 CG LEU A 744 4.144 25.131 19.072 1.00 27.92 C ATOM 952 CD1 LEU A 744 5.037 24.959 20.275 1.00 29.72 C ATOM 953 CD2 LEU A 744 2.806 24.408 19.284 1.00 29.61 C ATOM 954 H LEU A 744 3.973 29.201 18.623 1.00 0.00 H ATOM 955 N ILE A 745 5.147 27.386 15.974 1.00 17.24 N ATOM 956 CA ILE A 745 5.543 26.896 14.655 1.00 16.47 C ATOM 957 C ILE A 745 6.965 27.328 14.283 1.00 15.61 C ATOM 958 O ILE A 745 7.682 26.570 13.642 1.00 15.08 O ATOM 959 CB ILE A 745 4.511 27.250 13.560 1.00 17.10 C ATOM 960 CG1 ILE A 745 4.802 26.516 12.283 1.00 16.64 C ATOM 961 CG2 ILE A 745 4.396 28.771 13.396 1.00 17.38 C ATOM 962 CD1 ILE A 745 3.789 26.775 11.179 1.00 17.92 C ATOM 963 H ILE A 745 4.386 28.089 16.067 1.00 0.00 H ATOM 964 N TYR A 746 7.393 28.508 14.729 1.00 15.78 N ATOM 965 CA TYR A 746 8.736 28.974 14.454 1.00 15.68 C ATOM 966 C TYR A 746 9.734 28.061 15.171 1.00 16.01 C ATOM 967 O TYR A 746 10.619 27.590 14.555 1.00 15.48 O ATOM 968 CB TYR A 746 8.911 30.435 14.937 1.00 16.61 C ATOM 969 CG TYR A 746 10.273 31.074 14.903 1.00 18.02 C ATOM 970 CD1 TYR A 746 11.252 30.764 15.869 1.00 20.01 C ATOM 971 CD2 TYR A 746 10.564 32.026 13.975 1.00 18.50 C ATOM 972 CE1 TYR A 746 12.449 31.418 15.898 1.00 19.64 C ATOM 973 CE2 TYR A 746 11.801 32.665 13.995 1.00 19.99 C ATOM 974 CZ TYR A 746 12.726 32.339 14.956 1.00 19.89 C ATOM 975 OH TYR A 746 13.959 32.966 15.101 1.00 22.74 O ATOM 976 HH TYR A 746 14.448 32.559 15.860 1.00 0.00 H ATOM 977 H TYR A 746 6.750 29.106 15.286 1.00 0.00 H ATOM 978 N LYS A 747 9.455 27.734 16.420 1.00 16.86 N ATOM 979 CA LYS A 747 10.345 26.843 17.200 1.00 19.43 C ATOM 980 C LYS A 747 10.387 25.433 16.560 1.00 18.60 C ATOM 981 O LYS A 747 11.416 24.834 16.378 1.00 18.88 O ATOM 982 CB LYS A 747 9.905 26.737 18.674 1.00 21.86 C ATOM 983 CG LYS A 747 10.045 28.073 19.385 1.00 25.76 C ATOM 984 CD LYS A 747 9.468 28.071 20.787 1.00 30.40 C ATOM 985 CE LYS A 747 9.261 29.495 21.246 1.00 34.34 C ATOM 986 NZ LYS A 747 9.399 29.580 22.711 1.00 39.23 N ATOM 987 HZ1 LYS A 747 8.688 28.969 23.161 1.00 0.00 H ATOM 988 HZ2 LYS A 747 10.352 29.267 22.987 1.00 0.00 H ATOM 989 HZ3 LYS A 747 9.255 30.564 23.015 1.00 0.00 H ATOM 990 H LYS A 747 8.593 28.110 16.865 1.00 0.00 H ATOM 991 N ASP A 748 9.228 24.940 16.156 1.00 17.31 N ATOM 992 CA ASP A 748 9.165 23.600 15.552 1.00 18.48 C ATOM 993 C ASP A 748 9.841 23.533 14.187 1.00 16.64 C ATOM 994 O ASP A 748 10.509 22.580 13.852 1.00 16.02 O ATOM 995 CB ASP A 748 7.676 23.141 15.439 1.00 19.39 C ATOM 996 CG ASP A 748 6.986 22.920 16.816 1.00 21.61 C ATOM 997 OD1 ASP A 748 7.635 22.898 17.906 1.00 25.51 O ATOM 998 OD2 ASP A 748 5.739 22.811 16.767 1.00 22.15 O ATOM 999 H ASP A 748 8.359 25.501 16.266 1.00 0.00 H ATOM 1000 N ALA A 749 9.750 24.591 13.420 1.00 15.95 N ATOM 1001 CA ALA A 749 10.458 24.695 12.140 1.00 15.53 C ATOM 1002 C ALA A 749 11.964 24.628 12.330 1.00 16.38 C ATOM 1003 O ALA A 749 12.656 23.904 11.636 1.00 15.90 O ATOM 1004 CB ALA A 749 10.071 25.960 11.384 1.00 16.51 C ATOM 1005 H ALA A 749 9.155 25.385 13.730 1.00 0.00 H ATOM 1006 N LEU A 750 12.469 25.303 13.370 1.00 16.35 N ATOM 1007 CA LEU A 750 13.903 25.133 13.660 1.00 16.55 C ATOM 1008 C LEU A 750 14.338 23.718 14.005 1.00 16.07 C ATOM 1009 O LEU A 750 15.348 23.264 13.508 1.00 16.22 O ATOM 1010 CB LEU A 750 14.324 26.103 14.765 1.00 18.47 C ATOM 1011 CG LEU A 750 14.384 27.568 14.289 1.00 20.84 C ATOM 1012 CD1 LEU A 750 14.484 28.402 15.566 1.00 22.32 C ATOM 1013 CD2 LEU A 750 15.500 27.867 13.335 1.00 23.51 C ATOM 1014 H LEU A 750 11.871 25.924 13.951 1.00 0.00 H ATOM 1015 N VAL A 751 13.556 23.041 14.830 1.00 15.35 N ATOM 1016 CA VAL A 751 13.907 21.675 15.229 1.00 15.81 C ATOM 1017 C VAL A 751 13.909 20.811 13.988 1.00 15.72 C ATOM 1018 O VAL A 751 14.852 20.048 13.752 1.00 15.72 O ATOM 1019 CB VAL A 751 12.933 21.153 16.268 1.00 16.55 C ATOM 1020 CG1 VAL A 751 13.142 19.633 16.432 1.00 17.49 C ATOM 1021 CG2 VAL A 751 13.021 21.961 17.547 1.00 17.29 C ATOM 1022 H VAL A 751 12.688 23.480 15.197 1.00 0.00 H ATOM 1023 N LEU A 752 12.853 20.884 13.151 1.00 15.73 N ATOM 1024 CA LEU A 752 12.807 19.981 11.992 1.00 16.44 C ATOM 1025 C LEU A 752 13.843 20.284 10.929 1.00 16.60 C ATOM 1026 O LEU A 752 14.304 19.438 10.188 1.00 17.31 O ATOM 1027 CB LEU A 752 11.391 19.951 11.335 1.00 17.80 C ATOM 1028 CG LEU A 752 10.368 19.243 12.146 1.00 19.29 C ATOM 1029 CD1 LEU A 752 9.056 19.387 11.349 1.00 19.27 C ATOM 1030 CD2 LEU A 752 10.746 17.784 12.360 1.00 19.28 C ATOM 1031 H LEU A 752 12.087 21.566 13.323 1.00 0.00 H ATOM 1032 N HIS A 753 14.149 21.562 10.789 1.00 16.94 N ATOM 1033 CA HIS A 753 15.171 21.998 9.870 1.00 17.18 C ATOM 1034 C HIS A 753 16.483 21.332 10.271 1.00 17.08 C ATOM 1035 O HIS A 753 17.210 20.816 9.418 1.00 16.63 O ATOM 1036 CB HIS A 753 15.212 23.530 9.936 1.00 18.54 C ATOM 1037 CG HIS A 753 16.057 24.203 8.935 1.00 21.23 C ATOM 1038 ND1 HIS A 753 15.804 25.506 8.542 1.00 24.17 N ATOM 1039 CD2 HIS A 753 17.045 23.763 8.148 1.00 21.63 C ATOM 1040 CE1 HIS A 753 16.681 25.860 7.619 1.00 24.72 C ATOM 1041 NE2 HIS A 753 17.453 24.822 7.372 1.00 22.83 N ATOM 1042 H HIS A 753 13.640 22.270 11.355 1.00 0.00 H ATOM 1043 N LYS A 754 16.782 21.271 11.549 1.00 17.53 N ATOM 1044 CA LYS A 754 17.999 20.591 11.977 1.00 18.40 C ATOM 1045 C LYS A 754 17.943 19.110 11.777 1.00 16.72 C ATOM 1046 O LYS A 754 18.920 18.451 11.358 1.00 19.22 O ATOM 1047 CB LYS A 754 18.343 20.955 13.420 1.00 18.70 C ATOM 1048 CG LYS A 754 19.724 20.533 13.912 1.00 20.66 C ATOM 1049 CD LYS A 754 20.887 21.038 13.107 1.00 21.21 C ATOM 1050 CE LYS A 754 20.966 22.532 13.199 1.00 20.47 C ATOM 1051 NZ LYS A 754 22.241 22.961 12.575 1.00 19.77 N ATOM 1052 HZ1 LYS A 754 23.038 22.526 13.083 1.00 0.00 H ATOM 1053 HZ2 LYS A 754 22.257 22.660 11.580 1.00 0.00 H ATOM 1054 HZ3 LYS A 754 22.319 23.997 12.626 1.00 0.00 H ATOM 1055 H LYS A 754 16.153 21.706 12.253 1.00 0.00 H ATOM 1056 N VAL A 755 16.781 18.506 12.054 1.00 17.85 N ATOM 1057 CA VAL A 755 16.543 17.053 11.771 1.00 18.15 C ATOM 1058 C VAL A 755 16.797 16.723 10.319 1.00 18.34 C ATOM 1059 O VAL A 755 17.487 15.747 10.004 1.00 19.53 O ATOM 1060 CB VAL A 755 15.114 16.609 12.163 1.00 19.61 C ATOM 1061 CG1 VAL A 755 14.739 15.227 11.646 1.00 20.76 C ATOM 1062 CG2 VAL A 755 14.919 16.648 13.654 1.00 19.89 C ATOM 1063 H VAL A 755 16.015 19.065 12.481 1.00 0.00 H ATOM 1064 N LEU A 756 16.315 17.579 9.433 1.00 16.97 N ATOM 1065 CA LEU A 756 16.522 17.447 8.008 1.00 17.60 C ATOM 1066 C LEU A 756 17.997 17.505 7.669 1.00 18.94 C ATOM 1067 O LEU A 756 18.457 16.630 6.929 1.00 18.85 O ATOM 1068 CB LEU A 756 15.795 18.573 7.258 1.00 18.68 C ATOM 1069 CG LEU A 756 16.103 18.722 5.751 1.00 19.63 C ATOM 1070 CD1 LEU A 756 15.221 17.781 4.973 1.00 20.49 C ATOM 1071 CD2 LEU A 756 15.920 20.177 5.322 1.00 21.70 C ATOM 1072 H LEU A 756 15.759 18.387 9.779 1.00 0.00 H ATOM 1073 N LEU A 757 18.707 18.499 8.162 1.00 18.73 N ATOM 1074 CA LEU A 757 20.129 18.674 7.834 1.00 20.06 C ATOM 1075 C LEU A 757 20.967 17.487 8.353 1.00 21.35 C ATOM 1076 O LEU A 757 21.818 16.976 7.621 1.00 22.42 O ATOM 1077 CB LEU A 757 20.664 20.016 8.330 1.00 21.81 C ATOM 1078 CG LEU A 757 19.982 21.236 7.723 1.00 23.40 C ATOM 1079 CD1 LEU A 757 20.416 22.548 8.420 1.00 24.68 C ATOM 1080 CD2 LEU A 757 20.193 21.272 6.209 1.00 24.46 C ATOM 1081 H LEU A 757 18.248 19.179 8.801 1.00 0.00 H ATOM 1082 N GLU A 758 20.677 17.020 9.551 1.00 22.44 N ATOM 1083 CA GLU A 758 21.432 15.895 10.147 1.00 24.99 C ATOM 1084 C GLU A 758 21.100 14.607 9.413 1.00 25.66 C ATOM 1085 O GLU A 758 21.997 13.752 9.192 1.00 28.08 O ATOM 1086 CB GLU A 758 21.165 15.806 11.644 1.00 28.88 C ATOM 1087 CG GLU A 758 21.761 16.990 12.402 1.00 32.29 C ATOM 1088 CD GLU A 758 21.487 16.955 13.901 1.00 39.98 C ATOM 1089 OE1 GLU A 758 21.094 15.876 14.422 1.00 45.55 O ATOM 1090 OE2 GLU A 758 21.716 17.991 14.581 1.00 47.94 O ATOM 1091 H GLU A 758 19.900 17.452 10.090 1.00 0.00 H ATOM 1092 N THR A 759 19.845 14.443 9.004 1.00 22.71 N ATOM 1093 CA THR A 759 19.440 13.274 8.228 1.00 23.33 C ATOM 1094 C THR A 759 20.243 13.211 6.905 1.00 25.55 C ATOM 1095 O THR A 759 20.774 12.121 6.530 1.00 25.97 O ATOM 1096 CB THR A 759 17.922 13.252 7.977 1.00 23.28 C ATOM 1097 OG1 THR A 759 17.213 13.282 9.222 1.00 25.00 O ATOM 1098 CG2 THR A 759 17.498 11.996 7.242 1.00 23.98 C ATOM 1099 HG1 THR A 759 17.448 14.108 9.715 1.00 0.00 H ATOM 1100 H THR A 759 19.135 15.165 9.243 1.00 0.00 H ATOM 1101 N ARG A 760 20.362 14.349 6.210 1.00 24.16 N ATOM 1102 CA ARG A 760 21.095 14.456 4.944 1.00 25.58 C ATOM 1103 C ARG A 760 22.564 14.141 5.186 1.00 26.20 C ATOM 1104 O ARG A 760 23.218 13.405 4.423 1.00 28.15 O ATOM 1105 CB ARG A 760 20.978 15.888 4.370 1.00 25.85 C ATOM 1106 CG ARG A 760 21.839 16.201 3.139 1.00 26.64 C ATOM 1107 CD ARG A 760 21.400 15.333 1.973 1.00 27.98 C ATOM 1108 NE ARG A 760 22.232 15.514 0.778 1.00 28.09 N ATOM 1109 CZ ARG A 760 22.996 14.566 0.278 1.00 29.08 C ATOM 1110 NH1 ARG A 760 23.069 13.393 0.889 1.00 30.55 N ATOM 1111 NH2 ARG A 760 23.718 14.807 -0.791 1.00 29.73 N ATOM 1112 HE ARG A 760 22.217 16.438 0.302 1.00 0.00 H ATOM 1113 HH12 ARG A 760 23.671 12.640 0.499 1.00 0.00 H ATOM 1114 HH11 ARG A 760 22.524 13.225 1.759 1.00 0.00 H ATOM 1115 HH22 ARG A 760 24.323 14.061 -1.189 1.00 0.00 H ATOM 1116 HH21 ARG A 760 23.685 15.744 -1.240 1.00 0.00 H ATOM 1117 H ARG A 760 19.909 15.205 6.589 1.00 0.00 H ATOM 1118 N ARG A 761 23.114 14.716 6.240 1.00 27.60 N ATOM 1119 CA ARG A 761 24.561 14.565 6.519 1.00 31.63 C ATOM 1120 C ARG A 761 24.891 13.090 6.777 1.00 32.09 C ATOM 1121 O ARG A 761 25.942 12.635 6.373 1.00 35.73 O ATOM 1122 CB ARG A 761 24.916 15.418 7.747 1.00 33.98 C ATOM 1123 CG ARG A 761 26.383 15.404 8.180 1.00 38.66 C ATOM 1124 CD ARG A 761 26.564 15.999 9.570 1.00 40.02 C ATOM 1125 NE ARG A 761 25.857 15.153 10.528 1.00 43.42 N ATOM 1126 CZ ARG A 761 25.414 15.537 11.726 1.00 43.48 C ATOM 1127 NH1 ARG A 761 25.618 16.773 12.184 1.00 45.48 N ATOM 1128 NH2 ARG A 761 24.765 14.657 12.470 1.00 43.68 N ATOM 1129 HE ARG A 761 25.684 14.165 10.252 1.00 0.00 H ATOM 1130 HH12 ARG A 761 25.261 17.045 13.122 1.00 0.00 H ATOM 1131 HH11 ARG A 761 26.134 17.464 11.603 1.00 0.00 H ATOM 1132 HH22 ARG A 761 24.409 14.931 13.408 1.00 0.00 H ATOM 1133 HH21 ARG A 761 24.610 13.691 12.117 1.00 0.00 H ATOM 1134 H ARG A 761 22.524 15.282 6.882 1.00 0.00 H ATOM 1135 N ASP A 762 23.998 12.361 7.426 1.00 32.63 N ATOM 1136 CA ASP A 762 24.218 10.970 7.862 1.00 37.76 C ATOM 1137 C ASP A 762 23.785 9.923 6.819 1.00 40.63 C ATOM 1138 O ASP A 762 23.848 8.718 7.088 1.00 43.02 O ATOM 1139 CB ASP A 762 23.459 10.730 9.198 1.00 39.88 C ATOM 1140 CG ASP A 762 24.021 11.582 10.375 1.00 42.31 C ATOM 1141 OD1 ASP A 762 25.117 12.164 10.228 1.00 45.89 O ATOM 1142 OD2 ASP A 762 23.356 11.667 11.443 1.00 47.90 O ATOM 1143 H ASP A 762 23.080 12.798 7.643 1.00 0.00 H ATOM 1144 N LEU A 763 23.423 10.371 5.620 1.00 41.36 N ATOM 1145 CA LEU A 763 22.805 9.544 4.587 1.00 44.42 C ATOM 1146 C LEU A 763 23.815 8.768 3.745 1.00 46.74 C ATOM 1147 O LEU A 763 25.024 8.898 3.927 1.00 48.53 O ATOM 1148 CB LEU A 763 22.017 10.451 3.661 1.00 46.16 C ATOM 1149 CG LEU A 763 20.841 9.832 2.954 1.00 48.95 C ATOM 1150 CD1 LEU A 763 19.778 9.422 3.973 1.00 48.96 C ATOM 1151 CD2 LEU A 763 20.310 10.838 1.948 1.00 48.38 C ATOM 1152 H LEU A 763 23.591 11.374 5.404 1.00 0.00 H TER 1153 LEU A 763 HETATM 1154 O HOH 1 9.731 22.828 19.286 1.00 31.88 O HETATM 1155 O HOH 2 2.759 32.443 -4.977 1.00 35.84 O HETATM 1156 O HOH 3 0.940 35.328 -5.140 1.00 39.47 O HETATM 1157 O HOH 4 7.757 15.529 12.748 1.00 23.09 O HETATM 1158 O HOH 5 3.441 -4.141 -12.916 1.00 26.78 O HETATM 1159 O HOH 6 -1.152 21.151 0.278 1.00 24.05 O HETATM 1160 O HOH 7 3.894 10.290 19.931 1.00 39.35 O HETATM 1161 O HOH 8 3.207 2.595 -12.957 1.00 37.90 O HETATM 1162 O HOH 9 10.032 10.992 20.783 1.00 33.42 O HETATM 1163 O HOH 10 14.478 8.458 -10.229 1.00 33.41 O HETATM 1164 O HOH 11 -1.395 14.173 2.537 1.00 28.26 O HETATM 1165 O HOH 12 3.672 34.059 -3.076 1.00 22.16 O HETATM 1166 O HOH 13 -1.937 1.725 -13.730 1.00 29.37 O HETATM 1167 O HOH 14 1.618 13.024 -2.838 1.00 37.38 O HETATM 1168 O HOH 15 6.154 8.867 2.280 1.00 29.21 O HETATM 1169 O HOH 16 15.479 18.505 -9.065 1.00 30.02 O HETATM 1170 O HOH 17 4.254 -5.378 -9.425 1.00 20.75 O HETATM 1171 O HOH 18 -4.030 36.717 5.456 1.00 30.24 O HETATM 1172 O HOH 19 14.212 27.143 9.995 1.00 33.71 O HETATM 1173 O HOH 20 12.709 10.719 12.350 1.00 29.21 O HETATM 1174 O HOH 21 6.368 19.083 22.899 1.00 24.67 O HETATM 1175 O HOH 22 14.486 33.939 17.589 1.00 21.55 O HETATM 1176 O HOH 23 -4.676 24.358 1.264 1.00 26.72 O HETATM 1177 O HOH 24 -1.480 22.839 8.871 1.00 24.02 O HETATM 1178 O HOH 25 14.694 22.448 -5.109 1.00 37.19 O HETATM 1179 O HOH 26 15.127 29.516 9.426 1.00 33.21 O HETATM 1180 O HOH 27 12.232 31.615 2.904 1.00 33.30 O HETATM 1181 O HOH 28 19.615 25.736 5.929 1.00 19.54 O HETATM 1182 O HOH 29 0.542 21.381 -1.679 1.00 30.66 O HETATM 1183 O HOH 30 -3.029 24.767 7.267 1.00 23.18 O HETATM 1184 O HOH 31 12.135 4.426 1.081 1.00 31.65 O HETATM 1185 O HOH 32 2.163 36.373 10.823 1.00 32.89 O HETATM 1186 O HOH 33 4.817 7.282 -7.280 1.00 37.60 O HETATM 1187 O HOH 34 2.824 12.502 3.755 1.00 29.15 O HETATM 1188 O HOH 35 2.768 12.895 -7.399 1.00 32.65 O HETATM 1189 O HOH 36 -2.200 37.533 -1.643 1.00 23.37 O HETATM 1190 O HOH 37 12.819 17.367 21.895 1.00 32.24 O HETATM 1191 O HOH 38 -9.971 35.864 0.705 1.00 25.59 O HETATM 1192 O HOH 39 16.255 26.594 -0.275 1.00 22.74 O HETATM 1193 O HOH 40 5.738 27.863 2.812 1.00 17.03 O HETATM 1194 O HOH 41 2.521 14.376 10.757 1.00 28.93 O HETATM 1195 O HOH 42 9.853 32.086 -0.163 1.00 19.85 O HETATM 1196 O HOH 43 13.132 7.181 7.184 1.00 30.94 O HETATM 1197 O HOH 44 20.294 9.539 7.600 1.00 33.92 O HETATM 1198 O HOH 45 10.340 35.723 12.541 1.00 31.32 O HETATM 1199 O HOH 46 23.191 18.585 5.711 1.00 28.63 O HETATM 1200 O HOH 47 13.754 11.193 -8.003 1.00 29.42 O HETATM 1201 O HOH 48 -4.372 28.631 -2.974 1.00 34.04 O HETATM 1202 O HOH 49 13.156 13.082 20.389 1.00 33.16 O HETATM 1203 O HOH 50 6.750 27.930 -4.508 1.00 42.62 O HETATM 1204 O HOH 51 -0.985 20.392 7.828 1.00 24.93 O HETATM 1205 O HOH 52 13.473 25.587 18.240 1.00 23.25 O HETATM 1206 O HOH 53 4.132 19.271 -6.239 1.00 26.87 O HETATM 1207 O HOH 54 -7.501 30.220 -2.833 1.00 40.05 O HETATM 1208 O HOH 55 -1.455 16.960 9.536 1.00 26.10 O HETATM 1209 O HOH 56 10.209 20.297 20.152 1.00 29.20 O HETATM 1210 O HOH 57 11.550 12.693 -7.256 1.00 22.59 O HETATM 1211 O HOH 58 13.761 34.360 10.224 1.00 37.67 O HETATM 1212 O HOH 59 16.664 19.236 15.931 1.00 25.78 O HETATM 1213 O HOH 60 24.340 21.198 13.666 1.00 32.28 O HETATM 1214 O HOH 61 17.166 5.422 -9.250 1.00 29.68 O HETATM 1215 O HOH 62 10.095 34.774 0.375 1.00 27.63 O HETATM 1216 O HOH 63 4.367 37.994 8.615 1.00 33.98 O HETATM 1217 O HOH 64 11.987 11.082 16.726 1.00 28.18 O HETATM 1218 O HOH 65 2.853 20.185 14.242 1.00 27.81 O HETATM 1219 O HOH 66 -6.209 24.287 3.493 1.00 33.84 O HETATM 1220 O HOH 67 -7.737 21.882 3.400 1.00 31.10 O HETATM 1221 O HOH 68 2.431 28.628 16.375 1.00 29.47 O HETATM 1222 O HOH 69 22.282 15.244 -3.624 1.00 32.88 O HETATM 1223 O HOH 70 8.857 5.001 6.904 1.00 42.96 O HETATM 1224 O HOH 71 2.136 29.787 19.143 1.00 33.99 O HETATM 1225 O HOH 72 23.086 20.625 10.809 1.00 33.20 O HETATM 1226 O HOH 73 10.479 38.817 18.316 1.00 46.93 O HETATM 1227 O HOH 74 18.413 14.440 13.835 1.00 44.03 O HETATM 1228 O HOH 75 21.503 12.510 -4.704 1.00 36.34 O HETATM 1229 O HOH 76 10.970 7.397 9.351 1.00 36.18 O HETATM 1230 O HOH 77 22.150 14.887 17.261 1.00 42.05 O HETATM 1231 O HOH 78 -8.284 35.141 -3.514 1.00 41.36 O HETATM 1232 O HOH 79 10.658 5.510 3.114 1.00 35.57 O HETATM 1233 O HOH 80 -0.256 37.568 -3.718 1.00 32.20 O HETATM 1234 O HOH 81 8.661 26.205 -5.722 1.00 42.18 O HETATM 1235 O HOH 82 7.645 21.777 -5.429 1.00 37.30 O HETATM 1236 O HOH 83 24.138 21.192 6.064 1.00 28.86 O HETATM 1237 O HOH 84 20.141 6.480 -5.824 1.00 38.78 O HETATM 1238 O HOH 85 2.637 11.176 -9.270 1.00 37.95 O HETATM 1239 O HOH 86 -5.299 24.902 5.899 1.00 26.93 O HETATM 1240 O HOH 87 15.685 27.120 -2.791 1.00 38.11 O HETATM 1241 O HOH 88 12.232 23.938 20.367 1.00 28.35 O HETATM 1242 O HOH 89 -1.335 0.070 -15.882 1.00 38.03 O HETATM 1243 O HOH 90 1.413 19.721 -5.980 1.00 42.17 O HETATM 1244 O HOH 91 11.850 5.229 5.745 1.00 37.05 O HETATM 1245 O HOH 92 13.960 22.059 21.188 1.00 27.02 O HETATM 1246 C4 UNN A 93 0.456 28.127 13.424 1.00 -0.06 C HETATM 1247 C3 UNN A 93 0.127 29.566 13.052 1.00 -0.05 C HETATM 1248 C2 UNN A 93 -0.417 29.725 11.658 1.00 -0.04 C HETATM 1249 C5 UNN A 93 0.617 29.371 10.634 1.00 -0.04 C HETATM 1250 C6 UNN A 93 0.604 28.348 9.786 1.00 -0.05 C HETATM 1251 C7 UNN A 93 -0.472 27.314 9.639 1.00 -0.10 C HETATM 1252 C8 UNN A 93 0.089 26.250 8.709 1.00 0.01 C HETATM 1253 N UNN A 93 1.325 26.853 8.213 1.00 -0.22 N HETATM 1254 C9 UNN A 93 2.206 26.250 7.314 1.00 0.11 C HETATM 1255 C14 UNN A 93 3.427 26.919 7.074 1.00 0.10 C HETATM 1256 C13 UNN A 93 4.325 26.260 6.211 1.00 0.06 C HETATM 1257 C12 UNN A 93 4.008 25.061 5.597 1.00 -0.05 C HETATM 1258 C11 UNN A 93 2.793 24.443 5.866 1.00 -0.06 C HETATM 1259 C10 UNN A 93 1.895 25.031 6.727 1.00 -0.02 C HETATM 1260 H9 UNN A 93 0.951 24.546 6.946 1.00 0.06 H HETATM 1261 H6 UNN A 93 2.552 23.496 5.397 1.00 0.06 H HETATM 1262 H10 UNN A 93 4.707 24.604 4.906 1.00 0.06 H HETATM 1263 CL UNN A 93 5.980 26.795 6.003 1.00 -0.07 CL HETATM 1264 C15 UNN A 93 3.691 28.217 7.743 1.00 0.23 C HETATM 1265 N1 UNN A 93 2.747 28.692 8.646 1.00 -0.22 N HETATM 1266 C16 UNN A 93 1.645 28.029 8.856 1.00 0.17 C HETATM 1267 H11 UNN A 93 2.914 29.547 9.137 1.00 0.23 H HETATM 1268 O UNN A 93 4.645 28.921 7.432 1.00 -0.39 O HETATM 1269 H8 UNN A 93 -0.329 25.273 8.470 1.00 0.06 H HETATM 1270 H7 UNN A 93 -1.456 27.323 10.104 1.00 0.02 H HETATM 1271 H4 UNN A 93 0.695 30.263 9.995 1.00 0.03 H HETATM 1272 H5 UNN A 93 1.548 29.248 11.207 1.00 0.03 H HETATM 1273 C1 UNN A 93 -0.787 31.200 11.384 1.00 -0.05 C HETATM 1274 C UNN A 93 -1.595 31.367 10.131 1.00 -0.06 C HETATM 1275 H17 UNN A 93 -1.829 32.432 9.985 1.00 0.02 H HETATM 1276 H18 UNN A 93 -2.530 30.794 10.219 1.00 0.02 H HETATM 1277 H19 UNN A 93 -1.018 30.997 9.271 1.00 0.02 H HETATM 1278 H15 UNN A 93 0.140 31.784 11.286 1.00 0.03 H HETATM 1279 H16 UNN A 93 -1.372 31.581 12.234 1.00 0.03 H HETATM 1280 H14 UNN A 93 -1.302 29.083 11.540 1.00 0.03 H HETATM 1281 H12 UNN A 93 1.046 30.164 13.136 1.00 0.03 H HETATM 1282 H13 UNN A 93 -0.623 29.945 13.762 1.00 0.03 H HETATM 1283 H1 UNN A 93 0.846 28.094 14.452 1.00 0.02 H HETATM 1284 H2 UNN A 93 1.214 27.733 12.731 1.00 0.02 H HETATM 1285 H3 UNN A 93 -0.455 27.514 13.358 1.00 0.02 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1246 1247 1283 1284 1285 CONECT 1247 1246 1248 1281 1282 CONECT 1248 1247 1249 1273 1280 CONECT 1249 1248 1250 1271 1272 CONECT 1250 1249 1251 1266 CONECT 1251 1250 1252 1270 CONECT 1252 1251 1253 1269 CONECT 1253 1252 1254 1266 CONECT 1254 1253 1255 1259 CONECT 1255 1254 1256 1264 CONECT 1256 1255 1257 1263 CONECT 1257 1256 1258 1262 CONECT 1258 1257 1259 1261 CONECT 1259 1254 1258 1260 CONECT 1260 1259 CONECT 1261 1258 CONECT 1262 1257 CONECT 1263 1256 CONECT 1264 1255 1265 1268 CONECT 1265 1264 1266 1267 CONECT 1266 1250 1253 1265 CONECT 1267 1265 CONECT 1268 1264 CONECT 1269 1252 CONECT 1270 1251 CONECT 1271 1249 CONECT 1272 1249 CONECT 1273 1248 1274 1278 1279 CONECT 1274 1273 1275 1276 1277 CONECT 1275 1274 CONECT 1276 1274 CONECT 1277 1274 CONECT 1278 1273 CONECT 1279 1273 CONECT 1280 1248 CONECT 1281 1247 CONECT 1282 1247 CONECT 1283 1246 CONECT 1284 1246 CONECT 1285 1246 MASTER 0 0 0 0 0 0 0 0 1284 1 44 9 END
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Related entries of code: 5fh8
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
5fh6
RCSB PDB
PDBbind
124aa, >5FH6_1|Chains... *
5fh7
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PDBbind
124aa, >5FH7_1|Chains... at 100%
5hrv
RCSB PDB
PDBbind
124aa, >5HRV_1|Chain... at 100%
5hrw
RCSB PDB
PDBbind
124aa, >5HRW_1|Chains... at 100%
5hrx
RCSB PDB
PDBbind
124aa, >5HRX_1|Chains... at 100%
5ii1
RCSB PDB
PDBbind
124aa, >5II1_1|Chains... at 100%
5ii2
RCSB PDB
PDBbind
124aa, >5II2_1|Chains... at 100%
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
5fh8
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
fifth bromodomain of human PB1
Ligand Name
5XK
EC.Number
E.C.-.-.-.-
Resolution
1.55(Å)
Affinity (Kd/Ki/IC50)
Kd=170nM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J.Med.Chem. Vol. 59: pp. 5095-5101
Ligand Properties
Formula
C
1
7
H
1
9
ClN
2
O
Molecular Weight
302.799
Exact Mass
302.119
No. of atoms
40
No. of bonds
42
Polar Surface Area
37.27
LOGP Value
4.87 (
Computed with XLOGP3
)
4.41 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 3
Canonical SMILES
CCC(Cc1ccn2c1[nH]c(=O)c1c2cccc1Cl)CC
InChI String
InChI=1S/C17H19ClN2O/c1-3-11(4-2)10-12-8-9-20-14-7-5-6-13(18)15(14)17(21)19-16(12)20/h5-9,11H,3-4,10H2,1-2H3,(H,19,21)
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):
Q86U86
Entrez Gene ID
NCBI Entrez Gene ID:
55193
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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