Browse entries in the PDBbind-CN Database
HEADER 5HRW_COMPLEX COMPND 5HRW_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 110 TYR MET THR PRO MET GLN GLN LYS LEU ASN GLU VAL TYR SEQRES 2 A 110 GLU ALA VAL LYS ASN TYR THR ASP LYS ARG GLY ARG ARG SEQRES 3 A 110 LEU SER ALA ILE PHE LEU ARG LEU PRO SER ARG SER GLU SEQRES 4 A 110 LEU PRO ASP TYR TYR LEU THR ILE LYS LYS PRO MET ASP SEQRES 5 A 110 MET GLU LYS ILE ARG SER HIS MET MET ALA ASN LYS TYR SEQRES 6 A 110 GLN ASP ILE ASP SER MET VAL GLU ASP PHE VAL MET MET SEQRES 7 A 110 PHE ASN ASN ALA CYS THR TYR ASN GLU PRO GLU SER LEU SEQRES 8 A 110 ILE TYR LYS ASP ALA LEU VAL LEU HIS LYS VAL LEU LEU SEQRES 9 A 110 GLU THR ARG ARG ASP LEU HET UNN A 165 29 ATOM 1 N TYR A 654 -5.848 -3.376 -35.005 1.00 48.85 N ATOM 2 CA TYR A 654 -4.520 -4.047 -35.097 1.00 49.17 C ATOM 3 C TYR A 654 -4.253 -5.299 -34.144 1.00 46.61 C ATOM 4 O TYR A 654 -3.869 -6.332 -34.702 1.00 46.76 O ATOM 5 CB TYR A 654 -3.363 -3.023 -35.066 1.00 49.46 C ATOM 6 HN3 TYR A 654 -5.988 -3.019 -34.038 1.00 0.00 H ATOM 7 HN2 TYR A 654 -6.597 -4.060 -35.235 1.00 0.00 H ATOM 8 HN1 TYR A 654 -5.882 -2.583 -35.677 1.00 0.00 H ATOM 9 N MET A 655 -4.427 -5.292 -32.789 1.00 44.73 N ATOM 10 CA MET A 655 -4.275 -6.593 -32.038 1.00 41.29 C ATOM 11 C MET A 655 -5.381 -7.671 -32.252 1.00 39.52 C ATOM 12 O MET A 655 -6.558 -7.327 -32.276 1.00 38.12 O ATOM 13 CB MET A 655 -4.127 -6.354 -30.511 1.00 42.44 C ATOM 14 CG MET A 655 -2.762 -5.778 -30.192 1.00 44.15 C ATOM 15 SD MET A 655 -2.304 -5.967 -28.485 1.00 47.44 S ATOM 16 CE MET A 655 -3.497 -4.917 -27.754 1.00 44.04 C ATOM 17 H MET A 655 -4.659 -4.411 -32.287 1.00 0.00 H ATOM 18 N THR A 656 -4.994 -8.954 -32.376 1.00 35.98 N ATOM 19 CA THR A 656 -5.923 -10.085 -32.230 1.00 37.59 C ATOM 20 C THR A 656 -6.515 -10.176 -30.799 1.00 36.68 C ATOM 21 O THR A 656 -5.811 -9.682 -29.847 1.00 35.36 O ATOM 22 CB THR A 656 -5.212 -11.453 -32.548 1.00 37.92 C ATOM 23 OG1 THR A 656 -6.141 -12.528 -32.445 1.00 43.76 O ATOM 24 CG2 THR A 656 -4.247 -11.810 -31.620 1.00 36.71 C ATOM 25 HG1 THR A 656 -6.507 -12.559 -31.526 1.00 0.00 H ATOM 26 H THR A 656 -3.995 -9.154 -32.584 1.00 0.00 H ATOM 27 N PRO A 657 -7.673 -10.892 -30.608 1.00 35.82 N ATOM 28 CA PRO A 657 -8.137 -11.129 -29.204 1.00 34.30 C ATOM 29 C PRO A 657 -7.089 -11.747 -28.250 1.00 34.59 C ATOM 30 O PRO A 657 -6.946 -11.249 -27.143 1.00 34.03 O ATOM 31 CB PRO A 657 -9.365 -12.054 -29.359 1.00 34.82 C ATOM 32 CG PRO A 657 -9.896 -11.747 -30.728 1.00 35.67 C ATOM 33 CD PRO A 657 -8.675 -11.428 -31.581 1.00 36.76 C ATOM 34 N MET A 658 -6.359 -12.775 -28.671 1.00 35.02 N ATOM 35 CA MET A 658 -5.401 -13.440 -27.783 1.00 36.42 C ATOM 36 C MET A 658 -4.199 -12.527 -27.437 1.00 34.25 C ATOM 37 O MET A 658 -3.772 -12.483 -26.283 1.00 31.81 O ATOM 38 CB MET A 658 -4.943 -14.793 -28.336 1.00 39.93 C ATOM 39 CG MET A 658 -4.056 -15.643 -27.404 1.00 43.36 C ATOM 40 SD MET A 658 -4.796 -15.869 -25.779 1.00 51.92 S ATOM 41 CE MET A 658 -6.201 -16.945 -26.129 1.00 51.36 C ATOM 42 H MET A 658 -6.470 -13.114 -29.648 1.00 0.00 H ATOM 43 N GLN A 659 -3.727 -11.750 -28.402 1.00 35.44 N ATOM 44 CA GLN A 659 -2.642 -10.775 -28.218 1.00 34.97 C ATOM 45 C GLN A 659 -3.091 -9.711 -27.281 1.00 33.76 C ATOM 46 O GLN A 659 -2.310 -9.220 -26.452 1.00 31.49 O ATOM 47 CB GLN A 659 -2.266 -10.051 -29.538 1.00 36.81 C ATOM 48 CG GLN A 659 -1.444 -10.864 -30.493 1.00 38.19 C ATOM 49 CD GLN A 659 -1.384 -10.324 -31.945 1.00 40.60 C ATOM 50 OE1 GLN A 659 -2.250 -9.555 -32.429 1.00 40.74 O ATOM 51 NE2 GLN A 659 -0.364 -10.760 -32.647 1.00 42.59 N ATOM 52 HE22 GLN A 659 0.333 -11.396 -32.211 1.00 0.00 H ATOM 53 HE21 GLN A 659 -0.253 -10.469 -33.639 1.00 0.00 H ATOM 54 H GLN A 659 -4.151 -11.835 -29.348 1.00 0.00 H ATOM 55 N GLN A 660 -4.328 -9.287 -27.475 1.00 31.53 N ATOM 56 CA GLN A 660 -4.869 -8.254 -26.666 1.00 31.58 C ATOM 57 C GLN A 660 -4.979 -8.718 -25.175 1.00 29.45 C ATOM 58 O GLN A 660 -4.616 -7.935 -24.271 1.00 27.54 O ATOM 59 CB GLN A 660 -6.227 -7.782 -27.202 1.00 33.36 C ATOM 60 CG GLN A 660 -6.757 -6.656 -26.341 1.00 34.64 C ATOM 61 CD GLN A 660 -7.886 -5.844 -26.966 1.00 38.12 C ATOM 62 OE1 GLN A 660 -7.922 -5.616 -28.183 1.00 41.72 O ATOM 63 NE2 GLN A 660 -8.803 -5.394 -26.127 1.00 38.54 N ATOM 64 HE22 GLN A 660 -8.731 -5.611 -25.112 1.00 0.00 H ATOM 65 HE21 GLN A 660 -9.597 -4.823 -26.481 1.00 0.00 H ATOM 66 H GLN A 660 -4.909 -9.713 -28.225 1.00 0.00 H ATOM 67 N LYS A 661 -5.469 -9.952 -24.958 1.00 28.37 N ATOM 68 CA LYS A 661 -5.549 -10.543 -23.613 1.00 28.41 C ATOM 69 C LYS A 661 -4.147 -10.645 -22.985 1.00 26.91 C ATOM 70 O LYS A 661 -3.953 -10.314 -21.817 1.00 25.39 O ATOM 71 CB LYS A 661 -6.199 -11.918 -23.636 1.00 31.05 C ATOM 72 CG LYS A 661 -7.679 -11.826 -23.993 1.00 34.91 C ATOM 73 CD LYS A 661 -8.303 -13.212 -24.042 1.00 38.19 C ATOM 74 CE LYS A 661 -9.815 -13.137 -24.201 1.00 42.43 C ATOM 75 NZ LYS A 661 -10.206 -12.468 -25.454 1.00 43.70 N ATOM 76 HZ1 LYS A 661 -9.830 -11.498 -25.460 1.00 0.00 H ATOM 77 HZ2 LYS A 661 -9.820 -12.996 -26.263 1.00 0.00 H ATOM 78 HZ3 LYS A 661 -11.243 -12.439 -25.521 1.00 0.00 H ATOM 79 H LYS A 661 -5.803 -10.508 -25.771 1.00 0.00 H ATOM 80 N LEU A 662 -3.182 -11.097 -23.763 1.00 26.36 N ATOM 81 CA LEU A 662 -1.794 -11.173 -23.281 1.00 25.67 C ATOM 82 C LEU A 662 -1.293 -9.814 -22.834 1.00 25.56 C ATOM 83 O LEU A 662 -0.704 -9.676 -21.726 1.00 23.19 O ATOM 84 CB LEU A 662 -0.896 -11.785 -24.330 1.00 27.02 C ATOM 85 CG LEU A 662 -1.087 -13.277 -24.607 1.00 27.47 C ATOM 86 CD1 LEU A 662 -0.518 -13.670 -25.969 1.00 29.03 C ATOM 87 CD2 LEU A 662 -0.470 -14.105 -23.521 1.00 26.76 C ATOM 88 H LEU A 662 -3.406 -11.404 -24.731 1.00 0.00 H ATOM 89 N ASN A 663 -1.493 -8.810 -23.686 1.00 26.75 N ATOM 90 CA ASN A 663 -1.120 -7.448 -23.361 1.00 27.41 C ATOM 91 C ASN A 663 -1.815 -6.873 -22.145 1.00 26.18 C ATOM 92 O ASN A 663 -1.209 -6.155 -21.376 1.00 24.33 O ATOM 93 CB ASN A 663 -1.360 -6.523 -24.529 1.00 30.13 C ATOM 94 CG ASN A 663 -0.461 -5.356 -24.493 1.00 31.38 C ATOM 95 OD1 ASN A 663 0.738 -5.506 -24.665 1.00 35.46 O ATOM 96 ND2 ASN A 663 -1.006 -4.194 -24.257 1.00 34.06 N ATOM 97 HD22 ASN A 663 -2.034 -4.120 -24.117 1.00 0.00 H ATOM 98 HD21 ASN A 663 -0.412 -3.341 -24.208 1.00 0.00 H ATOM 99 H ASN A 663 -1.929 -9.009 -24.609 1.00 0.00 H ATOM 100 N GLU A 664 -3.093 -7.165 -21.996 1.00 24.70 N ATOM 101 CA GLU A 664 -3.836 -6.700 -20.869 1.00 24.04 C ATOM 102 C GLU A 664 -3.255 -7.293 -19.557 1.00 22.91 C ATOM 103 O GLU A 664 -3.138 -6.600 -18.580 1.00 21.29 O ATOM 104 CB GLU A 664 -5.293 -7.064 -21.005 1.00 26.48 C ATOM 105 CG GLU A 664 -5.980 -6.263 -22.107 1.00 29.72 C ATOM 106 CD GLU A 664 -7.409 -6.732 -22.389 1.00 32.60 C ATOM 107 OE1 GLU A 664 -7.818 -7.841 -21.916 1.00 35.74 O ATOM 108 OE2 GLU A 664 -8.113 -5.965 -23.059 1.00 34.93 O ATOM 109 H GLU A 664 -3.569 -7.746 -22.715 1.00 0.00 H ATOM 110 N VAL A 665 -2.871 -8.562 -19.559 1.00 22.05 N ATOM 111 CA VAL A 665 -2.316 -9.210 -18.332 1.00 21.23 C ATOM 112 C VAL A 665 -0.944 -8.573 -18.032 1.00 20.43 C ATOM 113 O VAL A 665 -0.672 -8.179 -16.926 1.00 19.58 O ATOM 114 CB VAL A 665 -2.146 -10.728 -18.528 1.00 21.71 C ATOM 115 CG1 VAL A 665 -1.225 -11.378 -17.477 1.00 20.89 C ATOM 116 CG2 VAL A 665 -3.525 -11.382 -18.517 1.00 23.15 C ATOM 117 H VAL A 665 -2.958 -9.118 -20.433 1.00 0.00 H ATOM 118 N TYR A 666 -0.132 -8.405 -19.065 1.00 20.39 N ATOM 119 CA TYR A 666 1.209 -7.813 -18.862 1.00 20.66 C ATOM 120 C TYR A 666 1.090 -6.365 -18.340 1.00 20.86 C ATOM 121 O TYR A 666 1.723 -5.989 -17.374 1.00 19.32 O ATOM 122 CB TYR A 666 1.990 -7.870 -20.196 1.00 21.04 C ATOM 123 CG TYR A 666 3.364 -7.316 -20.048 1.00 21.54 C ATOM 124 CD1 TYR A 666 3.609 -5.985 -20.257 1.00 23.03 C ATOM 125 CD2 TYR A 666 4.395 -8.122 -19.612 1.00 21.84 C ATOM 126 CE1 TYR A 666 4.883 -5.449 -20.058 1.00 23.59 C ATOM 127 CE2 TYR A 666 5.658 -7.603 -19.412 1.00 22.49 C ATOM 128 CZ TYR A 666 5.884 -6.260 -19.630 1.00 23.58 C ATOM 129 OH TYR A 666 7.168 -5.732 -19.419 1.00 27.84 O ATOM 130 HH TYR A 666 7.162 -4.762 -19.618 1.00 0.00 H ATOM 131 H TYR A 666 -0.437 -8.689 -20.018 1.00 0.00 H ATOM 132 N GLU A 667 0.270 -5.543 -18.974 1.00 21.85 N ATOM 133 CA GLU A 667 0.119 -4.152 -18.561 1.00 23.56 C ATOM 134 C GLU A 667 -0.508 -3.992 -17.198 1.00 22.19 C ATOM 135 O GLU A 667 -0.208 -3.025 -16.513 1.00 22.55 O ATOM 136 CB GLU A 667 -0.720 -3.348 -19.581 1.00 26.04 C ATOM 137 CG GLU A 667 -0.023 -3.206 -20.955 1.00 29.68 C ATOM 138 CD GLU A 667 1.273 -2.369 -20.982 1.00 33.93 C ATOM 139 OE1 GLU A 667 1.313 -1.263 -20.388 1.00 39.58 O ATOM 140 OE2 GLU A 667 2.305 -2.826 -21.599 1.00 38.28 O ATOM 141 H GLU A 667 -0.279 -5.896 -19.784 1.00 0.00 H ATOM 142 N ALA A 668 -1.447 -4.872 -16.833 1.00 21.18 N ATOM 143 CA ALA A 668 -2.032 -4.790 -15.501 1.00 20.26 C ATOM 144 C ALA A 668 -0.957 -4.895 -14.418 1.00 19.19 C ATOM 145 O ALA A 668 -0.952 -4.149 -13.401 1.00 19.62 O ATOM 146 CB ALA A 668 -3.083 -5.873 -15.286 1.00 20.11 C ATOM 147 H ALA A 668 -1.758 -5.610 -17.496 1.00 0.00 H ATOM 148 N VAL A 669 -0.058 -5.836 -14.602 1.00 18.14 N ATOM 149 CA VAL A 669 1.012 -6.031 -13.632 1.00 18.52 C ATOM 150 C VAL A 669 2.022 -4.885 -13.750 1.00 18.96 C ATOM 151 O VAL A 669 2.406 -4.284 -12.724 1.00 18.48 O ATOM 152 CB VAL A 669 1.751 -7.382 -13.819 1.00 18.59 C ATOM 153 CG1 VAL A 669 2.893 -7.504 -12.804 1.00 18.92 C ATOM 154 CG2 VAL A 669 0.792 -8.530 -13.628 1.00 18.34 C ATOM 155 H VAL A 669 -0.110 -6.444 -15.444 1.00 0.00 H ATOM 156 N LYS A 670 2.428 -4.565 -14.973 1.00 20.08 N ATOM 157 CA LYS A 670 3.387 -3.456 -15.158 1.00 22.49 C ATOM 158 C LYS A 670 2.936 -2.120 -14.605 1.00 22.80 C ATOM 159 O LYS A 670 3.736 -1.385 -13.998 1.00 22.89 O ATOM 160 CB LYS A 670 3.732 -3.252 -16.658 1.00 25.11 C ATOM 161 CG LYS A 670 4.773 -2.111 -16.812 1.00 29.85 C ATOM 162 CD LYS A 670 5.431 -1.971 -18.155 1.00 35.77 C ATOM 163 CE LYS A 670 6.816 -1.267 -17.957 1.00 36.80 C ATOM 164 NZ LYS A 670 6.957 -0.163 -16.930 1.00 37.76 N ATOM 165 HZ1 LYS A 670 6.308 0.614 -17.167 1.00 0.00 H ATOM 166 HZ2 LYS A 670 6.724 -0.536 -15.988 1.00 0.00 H ATOM 167 HZ3 LYS A 670 7.936 0.188 -16.933 1.00 0.00 H ATOM 168 H LYS A 670 2.073 -5.092 -15.796 1.00 0.00 H ATOM 169 N ASN A 671 1.668 -1.744 -14.845 1.00 22.59 N ATOM 170 CA ASN A 671 1.192 -0.395 -14.538 1.00 23.76 C ATOM 171 C ASN A 671 0.645 -0.220 -13.156 1.00 23.61 C ATOM 172 O ASN A 671 0.425 0.905 -12.738 1.00 24.41 O ATOM 173 CB ASN A 671 0.138 0.075 -15.561 1.00 25.48 C ATOM 174 CG ASN A 671 0.717 0.221 -16.938 1.00 27.46 C ATOM 175 OD1 ASN A 671 1.898 0.377 -17.109 1.00 29.36 O ATOM 176 ND2 ASN A 671 -0.099 0.089 -17.923 1.00 30.96 N ATOM 177 HD22 ASN A 671 -1.115 -0.044 -17.743 1.00 0.00 H ATOM 178 HD21 ASN A 671 0.257 0.116 -18.900 1.00 0.00 H ATOM 179 H ASN A 671 1.007 -2.431 -15.260 1.00 0.00 H ATOM 180 N TYR A 672 0.470 -1.296 -12.401 1.00 22.10 N ATOM 181 CA TYR A 672 -0.104 -1.170 -11.073 1.00 22.87 C ATOM 182 C TYR A 672 0.648 -0.174 -10.230 1.00 24.06 C ATOM 183 O TYR A 672 1.894 -0.230 -10.095 1.00 23.26 O ATOM 184 CB TYR A 672 -0.224 -2.518 -10.351 1.00 21.64 C ATOM 185 CG TYR A 672 -0.784 -2.416 -8.977 1.00 21.44 C ATOM 186 CD1 TYR A 672 -2.171 -2.338 -8.765 1.00 23.32 C ATOM 187 CD2 TYR A 672 0.039 -2.313 -7.880 1.00 21.28 C ATOM 188 CE1 TYR A 672 -2.678 -2.219 -7.484 1.00 23.84 C ATOM 189 CE2 TYR A 672 -0.472 -2.155 -6.617 1.00 22.62 C ATOM 190 CZ TYR A 672 -1.831 -2.082 -6.424 1.00 24.18 C ATOM 191 OH TYR A 672 -2.344 -1.915 -5.100 1.00 25.30 O ATOM 192 HH TYR A 672 -3.333 -1.881 -5.132 1.00 0.00 H ATOM 193 H TYR A 672 0.744 -2.232 -12.761 1.00 0.00 H ATOM 194 N THR A 673 -0.102 0.744 -9.611 1.00 25.37 N ATOM 195 CA THR A 673 0.507 1.613 -8.622 1.00 26.91 C ATOM 196 C THR A 673 -0.253 1.569 -7.328 1.00 28.13 C ATOM 197 O THR A 673 -1.481 1.487 -7.337 1.00 30.21 O ATOM 198 CB THR A 673 0.608 3.058 -9.094 1.00 29.93 C ATOM 199 OG1 THR A 673 -0.731 3.520 -9.370 1.00 32.88 O ATOM 200 CG2 THR A 673 1.406 3.127 -10.341 1.00 29.83 C ATOM 201 HG1 THR A 673 -1.275 3.463 -8.545 1.00 0.00 H ATOM 202 H THR A 673 -1.113 0.834 -9.837 1.00 0.00 H ATOM 203 N ASP A 674 0.453 1.650 -6.225 1.00 27.27 N ATOM 204 CA ASP A 674 -0.224 1.703 -4.933 1.00 30.50 C ATOM 205 C ASP A 674 -0.761 3.135 -4.668 1.00 32.89 C ATOM 206 O ASP A 674 -0.553 4.045 -5.478 1.00 33.25 O ATOM 207 CB ASP A 674 0.687 1.214 -3.801 1.00 28.16 C ATOM 208 CG ASP A 674 1.800 2.151 -3.479 1.00 27.82 C ATOM 209 OD1 ASP A 674 1.874 3.343 -3.938 1.00 27.96 O ATOM 210 OD2 ASP A 674 2.648 1.685 -2.745 1.00 27.34 O ATOM 211 H ASP A 674 1.492 1.676 -6.271 1.00 0.00 H ATOM 212 N LYS A 675 -1.390 3.332 -3.510 1.00 37.87 N ATOM 213 CA LYS A 675 -2.062 4.612 -3.213 1.00 40.49 C ATOM 214 C LYS A 675 -1.068 5.777 -3.088 1.00 40.50 C ATOM 215 O LYS A 675 -1.452 6.941 -3.277 1.00 43.35 O ATOM 216 CB LYS A 675 -2.930 4.491 -1.942 1.00 44.99 C ATOM 217 CG LYS A 675 -2.101 4.474 -0.658 1.00 47.66 C ATOM 218 CD LYS A 675 -2.877 4.016 0.569 1.00 52.72 C ATOM 219 CE LYS A 675 -2.047 4.247 1.821 1.00 53.43 C ATOM 220 NZ LYS A 675 -2.267 3.154 2.811 1.00 55.06 N ATOM 221 HZ1 LYS A 675 -3.272 3.124 3.075 1.00 0.00 H ATOM 222 HZ2 LYS A 675 -1.992 2.245 2.388 1.00 0.00 H ATOM 223 HZ3 LYS A 675 -1.690 3.333 3.657 1.00 0.00 H ATOM 224 H LYS A 675 -1.408 2.570 -2.803 1.00 0.00 H ATOM 225 N ARG A 676 0.203 5.497 -2.802 1.00 36.94 N ATOM 226 CA ARG A 676 1.258 6.539 -2.822 1.00 35.00 C ATOM 227 C ARG A 676 1.922 6.877 -4.160 1.00 33.59 C ATOM 228 O ARG A 676 2.897 7.645 -4.159 1.00 34.81 O ATOM 229 CB ARG A 676 2.360 6.171 -1.855 1.00 34.35 C ATOM 230 CG ARG A 676 1.854 5.976 -0.461 1.00 35.41 C ATOM 231 CD ARG A 676 2.908 5.524 0.486 1.00 34.68 C ATOM 232 NE ARG A 676 4.006 6.456 0.643 1.00 35.17 N ATOM 233 CZ ARG A 676 5.159 6.393 -0.015 1.00 35.04 C ATOM 234 NH1 ARG A 676 5.364 5.462 -0.954 1.00 36.14 N ATOM 235 NH2 ARG A 676 6.109 7.274 0.261 1.00 34.64 N ATOM 236 HE ARG A 676 3.883 7.234 1.322 1.00 0.00 H ATOM 237 HH12 ARG A 676 6.272 5.425 -1.460 1.00 0.00 H ATOM 238 HH11 ARG A 676 4.616 4.775 -1.177 1.00 0.00 H ATOM 239 HH22 ARG A 676 7.016 7.237 -0.246 1.00 0.00 H ATOM 240 HH21 ARG A 676 5.948 8.003 0.985 1.00 0.00 H ATOM 241 H ARG A 676 0.462 4.520 -2.558 1.00 0.00 H ATOM 242 N GLY A 677 1.448 6.298 -5.269 1.00 32.47 N ATOM 243 CA GLY A 677 2.043 6.467 -6.590 1.00 31.03 C ATOM 244 C GLY A 677 3.274 5.568 -6.841 1.00 29.30 C ATOM 245 O GLY A 677 4.034 5.799 -7.795 1.00 29.49 O ATOM 246 H GLY A 677 0.607 5.692 -5.184 1.00 0.00 H ATOM 247 N ARG A 678 3.533 4.582 -5.973 1.00 25.35 N ATOM 248 CA ARG A 678 4.699 3.682 -6.213 1.00 23.71 C ATOM 249 C ARG A 678 4.381 2.571 -7.214 1.00 23.13 C ATOM 250 O ARG A 678 3.405 1.843 -7.056 1.00 22.05 O ATOM 251 CB ARG A 678 5.291 3.140 -4.900 1.00 22.32 C ATOM 252 CG ARG A 678 6.654 2.499 -5.077 1.00 21.96 C ATOM 253 CD ARG A 678 7.395 2.261 -3.774 1.00 21.91 C ATOM 254 NE ARG A 678 6.669 1.344 -2.895 1.00 22.15 N ATOM 255 CZ ARG A 678 6.722 0.007 -2.989 1.00 22.72 C ATOM 256 NH1 ARG A 678 7.485 -0.594 -3.902 1.00 21.75 N ATOM 257 NH2 ARG A 678 6.023 -0.748 -2.159 1.00 24.01 N ATOM 258 HE ARG A 678 6.073 1.756 -2.149 1.00 0.00 H ATOM 259 HH12 ARG A 678 7.510 -1.632 -3.957 1.00 0.00 H ATOM 260 HH11 ARG A 678 8.055 -0.025 -4.560 1.00 0.00 H ATOM 261 HH22 ARG A 678 6.067 -1.784 -2.236 1.00 0.00 H ATOM 262 HH21 ARG A 678 5.429 -0.306 -1.429 1.00 0.00 H ATOM 263 H ARG A 678 2.927 4.445 -5.139 1.00 0.00 H ATOM 264 N ARG A 679 5.191 2.449 -8.273 1.00 22.44 N ATOM 265 CA ARG A 679 4.945 1.435 -9.282 1.00 23.85 C ATOM 266 C ARG A 679 5.669 0.167 -8.829 1.00 21.88 C ATOM 267 O ARG A 679 6.934 0.077 -8.947 1.00 21.59 O ATOM 268 CB ARG A 679 5.413 1.904 -10.660 1.00 27.04 C ATOM 269 CG ARG A 679 5.153 0.917 -11.787 1.00 30.90 C ATOM 270 CD ARG A 679 4.938 1.613 -13.143 1.00 35.58 C ATOM 271 NE ARG A 679 3.631 2.229 -13.139 1.00 41.94 N ATOM 272 CZ ARG A 679 3.019 2.914 -14.121 1.00 44.58 C ATOM 273 NH1 ARG A 679 3.577 3.095 -15.308 1.00 50.14 N ATOM 274 NH2 ARG A 679 1.785 3.385 -13.909 1.00 42.12 N ATOM 275 HE ARG A 679 3.090 2.129 -12.256 1.00 0.00 H ATOM 276 HH12 ARG A 679 3.073 3.631 -16.043 1.00 0.00 H ATOM 277 HH11 ARG A 679 4.519 2.701 -15.505 1.00 0.00 H ATOM 278 HH22 ARG A 679 1.296 3.917 -14.657 1.00 0.00 H ATOM 279 HH21 ARG A 679 1.315 3.219 -12.996 1.00 0.00 H ATOM 280 H ARG A 679 6.005 3.088 -8.374 1.00 0.00 H ATOM 281 N LEU A 680 4.894 -0.830 -8.334 1.00 20.26 N ATOM 282 CA LEU A 680 5.484 -2.029 -7.724 1.00 19.57 C ATOM 283 C LEU A 680 6.379 -2.839 -8.733 1.00 18.38 C ATOM 284 O LEU A 680 7.341 -3.501 -8.278 1.00 18.53 O ATOM 285 CB LEU A 680 4.408 -2.966 -7.152 1.00 20.38 C ATOM 286 CG LEU A 680 4.037 -2.674 -5.716 1.00 22.77 C ATOM 287 CD1 LEU A 680 3.955 -1.241 -5.354 1.00 23.96 C ATOM 288 CD2 LEU A 680 2.804 -3.453 -5.249 1.00 22.94 C ATOM 289 H LEU A 680 3.859 -0.744 -8.388 1.00 0.00 H ATOM 290 N SER A 681 6.059 -2.783 -10.026 1.00 17.22 N ATOM 291 CA SER A 681 6.767 -3.564 -11.024 1.00 17.62 C ATOM 292 C SER A 681 8.206 -3.095 -11.275 1.00 17.72 C ATOM 293 O SER A 681 8.974 -3.843 -11.907 1.00 17.38 O ATOM 294 CB SER A 681 6.052 -3.599 -12.391 1.00 17.93 C ATOM 295 OG SER A 681 5.994 -2.302 -12.973 1.00 18.67 O ATOM 296 HG SER A 681 6.913 -1.959 -13.105 1.00 0.00 H ATOM 297 H SER A 681 5.281 -2.163 -10.328 1.00 0.00 H ATOM 298 N ALA A 682 8.546 -1.879 -10.837 1.00 17.93 N ATOM 299 CA ALA A 682 9.788 -1.212 -11.283 1.00 18.93 C ATOM 300 C ALA A 682 10.994 -2.122 -11.159 1.00 18.61 C ATOM 301 O ALA A 682 11.805 -2.236 -12.103 1.00 19.57 O ATOM 302 CB ALA A 682 10.016 0.096 -10.488 1.00 20.29 C ATOM 303 H ALA A 682 7.921 -1.389 -10.165 1.00 0.00 H ATOM 304 N ILE A 683 11.161 -2.712 -9.995 1.00 19.04 N ATOM 305 CA ILE A 683 12.340 -3.583 -9.764 1.00 20.13 C ATOM 306 C ILE A 683 12.298 -4.974 -10.385 1.00 17.90 C ATOM 307 O ILE A 683 13.350 -5.615 -10.512 1.00 16.15 O ATOM 308 CB ILE A 683 12.777 -3.609 -8.314 1.00 22.50 C ATOM 309 CG1 ILE A 683 11.792 -4.351 -7.491 1.00 24.44 C ATOM 310 CG2 ILE A 683 13.027 -2.145 -7.884 1.00 25.65 C ATOM 311 CD1 ILE A 683 11.895 -5.822 -7.536 1.00 27.70 C ATOM 312 H ILE A 683 10.465 -2.568 -9.235 1.00 0.00 H ATOM 313 N PHE A 684 11.134 -5.381 -10.873 1.00 16.46 N ATOM 314 CA PHE A 684 10.908 -6.657 -11.511 1.00 15.91 C ATOM 315 C PHE A 684 11.190 -6.664 -13.039 1.00 16.10 C ATOM 316 O PHE A 684 11.185 -7.737 -13.649 1.00 15.03 O ATOM 317 CB PHE A 684 9.475 -7.126 -11.261 1.00 15.79 C ATOM 318 CG PHE A 684 9.205 -7.465 -9.830 1.00 16.83 C ATOM 319 CD1 PHE A 684 9.551 -8.711 -9.316 1.00 17.75 C ATOM 320 CD2 PHE A 684 8.558 -6.559 -8.988 1.00 17.33 C ATOM 321 CE1 PHE A 684 9.310 -8.996 -7.966 1.00 18.73 C ATOM 322 CE2 PHE A 684 8.311 -6.863 -7.645 1.00 17.55 C ATOM 323 CZ PHE A 684 8.701 -8.068 -7.147 1.00 17.54 C ATOM 324 H PHE A 684 10.324 -4.734 -10.790 1.00 0.00 H ATOM 325 N LEU A 685 11.383 -5.490 -13.633 1.00 16.78 N ATOM 326 CA LEU A 685 11.585 -5.371 -15.074 1.00 17.41 C ATOM 327 C LEU A 685 12.824 -6.153 -15.551 1.00 17.00 C ATOM 328 O LEU A 685 12.714 -6.886 -16.544 1.00 16.33 O ATOM 329 CB LEU A 685 11.638 -3.960 -15.568 1.00 18.80 C ATOM 330 CG LEU A 685 10.438 -3.050 -15.228 1.00 21.92 C ATOM 331 CD1 LEU A 685 10.634 -1.693 -15.937 1.00 23.97 C ATOM 332 CD2 LEU A 685 9.090 -3.648 -15.497 1.00 22.12 C ATOM 333 H LEU A 685 11.390 -4.628 -13.052 1.00 0.00 H ATOM 334 N ARG A 686 13.973 -5.956 -14.911 1.00 16.42 N ATOM 335 CA ARG A 686 15.208 -6.551 -15.360 1.00 16.91 C ATOM 336 C ARG A 686 16.065 -7.021 -14.176 1.00 16.41 C ATOM 337 O ARG A 686 16.456 -6.248 -13.330 1.00 16.05 O ATOM 338 CB ARG A 686 15.992 -5.550 -16.237 1.00 18.47 C ATOM 339 CG ARG A 686 17.129 -6.197 -16.987 1.00 20.95 C ATOM 340 CD ARG A 686 16.677 -7.091 -18.112 1.00 21.58 C ATOM 341 NE ARG A 686 17.882 -7.633 -18.748 1.00 24.23 N ATOM 342 CZ ARG A 686 18.319 -8.898 -18.720 1.00 26.76 C ATOM 343 NH1 ARG A 686 17.669 -9.861 -18.081 1.00 27.29 N ATOM 344 NH2 ARG A 686 19.492 -9.188 -19.329 1.00 28.06 N ATOM 345 HE ARG A 686 18.464 -6.957 -19.282 1.00 0.00 H ATOM 346 HH12 ARG A 686 18.043 -10.831 -18.084 1.00 0.00 H ATOM 347 HH11 ARG A 686 16.785 -9.646 -17.577 1.00 0.00 H ATOM 348 HH22 ARG A 686 19.854 -10.163 -19.322 1.00 0.00 H ATOM 349 HH21 ARG A 686 20.031 -8.436 -19.804 1.00 0.00 H ATOM 350 H ARG A 686 13.981 -5.355 -14.062 1.00 0.00 H ATOM 351 N LEU A 687 16.331 -8.302 -14.140 1.00 16.90 N ATOM 352 CA LEU A 687 17.286 -8.887 -13.178 1.00 17.21 C ATOM 353 C LEU A 687 18.676 -8.263 -13.306 1.00 16.76 C ATOM 354 O LEU A 687 19.182 -8.097 -14.466 1.00 16.88 O ATOM 355 CB LEU A 687 17.478 -10.382 -13.344 1.00 18.43 C ATOM 356 CG LEU A 687 16.470 -11.259 -12.630 1.00 19.03 C ATOM 357 CD1 LEU A 687 16.596 -12.642 -13.243 1.00 20.31 C ATOM 358 CD2 LEU A 687 16.743 -11.270 -11.103 1.00 18.84 C ATOM 359 H LEU A 687 15.851 -8.932 -14.815 1.00 0.00 H ATOM 360 N PRO A 688 19.308 -7.968 -12.161 1.00 15.42 N ATOM 361 CA PRO A 688 20.730 -7.597 -12.219 1.00 16.05 C ATOM 362 C PRO A 688 21.605 -8.786 -12.679 1.00 16.24 C ATOM 363 O PRO A 688 21.074 -9.930 -12.817 1.00 16.41 O ATOM 364 CB PRO A 688 21.059 -7.170 -10.812 1.00 15.69 C ATOM 365 CG PRO A 688 19.704 -6.864 -10.146 1.00 15.91 C ATOM 366 CD PRO A 688 18.811 -7.926 -10.764 1.00 15.79 C ATOM 367 N SER A 689 22.887 -8.511 -12.939 1.00 17.52 N ATOM 368 CA SER A 689 23.803 -9.534 -13.482 1.00 18.08 C ATOM 369 C SER A 689 24.136 -10.592 -12.418 1.00 18.70 C ATOM 370 O SER A 689 23.898 -10.418 -11.202 1.00 17.80 O ATOM 371 CB SER A 689 25.130 -8.881 -13.974 1.00 19.23 C ATOM 372 OG SER A 689 25.926 -8.544 -12.889 1.00 18.78 O ATOM 373 HG SER A 689 25.441 -7.902 -12.312 1.00 0.00 H ATOM 374 H SER A 689 23.248 -7.553 -12.754 1.00 0.00 H ATOM 375 N ARG A 690 24.816 -11.639 -12.836 1.00 19.92 N ATOM 376 CA ARG A 690 25.337 -12.632 -11.886 1.00 21.78 C ATOM 377 C ARG A 690 26.348 -12.082 -10.893 1.00 21.51 C ATOM 378 O ARG A 690 26.403 -12.508 -9.764 1.00 21.20 O ATOM 379 CB ARG A 690 25.959 -13.847 -12.625 1.00 24.68 C ATOM 380 CG ARG A 690 24.888 -14.686 -13.273 1.00 28.25 C ATOM 381 CD ARG A 690 25.441 -15.757 -14.219 1.00 32.80 C ATOM 382 NE ARG A 690 24.262 -16.353 -14.827 1.00 38.36 N ATOM 383 CZ ARG A 690 23.568 -17.369 -14.325 1.00 39.36 C ATOM 384 NH1 ARG A 690 23.961 -18.011 -13.231 1.00 41.10 N ATOM 385 NH2 ARG A 690 22.484 -17.762 -14.963 1.00 43.62 N ATOM 386 HE ARG A 690 23.935 -15.951 -15.729 1.00 0.00 H ATOM 387 HH12 ARG A 690 23.397 -18.803 -12.862 1.00 0.00 H ATOM 388 HH11 ARG A 690 24.833 -17.722 -12.743 1.00 0.00 H ATOM 389 HH22 ARG A 690 21.921 -18.555 -14.593 1.00 0.00 H ATOM 390 HH21 ARG A 690 22.191 -17.280 -15.837 1.00 0.00 H ATOM 391 H ARG A 690 24.987 -11.765 -13.854 1.00 0.00 H ATOM 392 N SER A 691 27.106 -11.062 -11.267 1.00 20.66 N ATOM 393 CA SER A 691 28.041 -10.467 -10.287 1.00 21.18 C ATOM 394 C SER A 691 27.371 -9.518 -9.346 1.00 19.44 C ATOM 395 O SER A 691 27.823 -9.322 -8.211 1.00 19.16 O ATOM 396 CB SER A 691 29.233 -9.790 -11.003 1.00 22.19 C ATOM 397 OG SER A 691 28.807 -8.586 -11.644 1.00 24.24 O ATOM 398 HG SER A 691 28.107 -8.798 -12.311 1.00 0.00 H ATOM 399 H SER A 691 27.045 -10.685 -12.234 1.00 0.00 H ATOM 400 N GLU A 692 26.261 -8.929 -9.787 1.00 18.66 N ATOM 401 CA GLU A 692 25.480 -7.953 -8.976 1.00 18.80 C ATOM 402 C GLU A 692 24.531 -8.584 -7.955 1.00 18.28 C ATOM 403 O GLU A 692 24.341 -7.993 -6.889 1.00 19.06 O ATOM 404 CB GLU A 692 24.712 -6.993 -9.906 1.00 19.60 C ATOM 405 CG GLU A 692 25.572 -6.046 -10.755 1.00 21.03 C ATOM 406 CD GLU A 692 24.785 -5.294 -11.839 1.00 22.55 C ATOM 407 OE1 GLU A 692 23.853 -5.848 -12.385 1.00 20.23 O ATOM 408 OE2 GLU A 692 25.115 -4.088 -12.066 1.00 26.16 O ATOM 409 H GLU A 692 25.923 -9.161 -10.743 1.00 0.00 H ATOM 410 N LEU A 693 23.982 -9.764 -8.253 1.00 16.72 N ATOM 411 CA LEU A 693 23.019 -10.407 -7.381 1.00 17.45 C ATOM 412 C LEU A 693 23.316 -11.891 -7.342 1.00 17.79 C ATOM 413 O LEU A 693 22.482 -12.742 -7.707 1.00 16.71 O ATOM 414 CB LEU A 693 21.615 -10.126 -7.906 1.00 17.40 C ATOM 415 CG LEU A 693 20.496 -10.285 -6.837 1.00 18.06 C ATOM 416 CD1 LEU A 693 20.575 -9.203 -5.752 1.00 19.61 C ATOM 417 CD2 LEU A 693 19.150 -10.279 -7.524 1.00 18.27 C ATOM 418 H LEU A 693 24.254 -10.237 -9.139 1.00 0.00 H ATOM 419 N PRO A 694 24.574 -12.224 -6.976 1.00 17.95 N ATOM 420 CA PRO A 694 24.924 -13.631 -7.073 1.00 18.65 C ATOM 421 C PRO A 694 24.035 -14.593 -6.245 1.00 18.52 C ATOM 422 O PRO A 694 23.801 -15.704 -6.661 1.00 18.24 O ATOM 423 CB PRO A 694 26.414 -13.662 -6.641 1.00 19.04 C ATOM 424 CG PRO A 694 26.611 -12.502 -5.829 1.00 19.17 C ATOM 425 CD PRO A 694 25.612 -11.432 -6.286 1.00 18.70 C ATOM 426 N ASP A 695 23.573 -14.179 -5.075 1.00 19.25 N ATOM 427 CA ASP A 695 22.829 -15.038 -4.188 1.00 20.14 C ATOM 428 C ASP A 695 21.475 -15.441 -4.786 1.00 19.64 C ATOM 429 O ASP A 695 21.006 -16.577 -4.566 1.00 19.72 O ATOM 430 CB ASP A 695 22.607 -14.387 -2.812 1.00 21.73 C ATOM 431 CG ASP A 695 23.885 -14.071 -2.069 1.00 23.37 C ATOM 432 OD1 ASP A 695 25.021 -14.328 -2.607 1.00 23.42 O ATOM 433 OD2 ASP A 695 23.778 -13.379 -0.983 1.00 23.39 O ATOM 434 H ASP A 695 23.754 -13.197 -4.785 1.00 0.00 H ATOM 435 N TYR A 696 20.906 -14.587 -5.647 1.00 18.90 N ATOM 436 CA TYR A 696 19.685 -14.962 -6.369 1.00 18.33 C ATOM 437 C TYR A 696 19.958 -16.127 -7.309 1.00 18.58 C ATOM 438 O TYR A 696 19.213 -17.094 -7.320 1.00 19.05 O ATOM 439 CB TYR A 696 19.148 -13.789 -7.178 1.00 18.20 C ATOM 440 CG TYR A 696 18.051 -14.125 -8.135 1.00 17.50 C ATOM 441 CD1 TYR A 696 18.339 -14.587 -9.419 1.00 17.44 C ATOM 442 CD2 TYR A 696 16.706 -13.928 -7.781 1.00 17.15 C ATOM 443 CE1 TYR A 696 17.331 -14.858 -10.320 1.00 17.95 C ATOM 444 CE2 TYR A 696 15.667 -14.178 -8.698 1.00 17.15 C ATOM 445 CZ TYR A 696 16.008 -14.670 -9.966 1.00 17.96 C ATOM 446 OH TYR A 696 15.034 -14.950 -10.932 1.00 16.65 O ATOM 447 HH TYR A 696 14.530 -14.124 -11.140 1.00 0.00 H ATOM 448 H TYR A 696 21.333 -13.652 -5.805 1.00 0.00 H ATOM 449 N TYR A 697 21.036 -16.043 -8.087 1.00 18.65 N ATOM 450 CA TYR A 697 21.381 -17.098 -9.024 1.00 19.64 C ATOM 451 C TYR A 697 21.858 -18.428 -8.341 1.00 20.88 C ATOM 452 O TYR A 697 21.691 -19.510 -8.885 1.00 22.02 O ATOM 453 CB TYR A 697 22.413 -16.587 -9.991 1.00 19.69 C ATOM 454 CG TYR A 697 21.896 -15.501 -10.883 1.00 18.88 C ATOM 455 CD1 TYR A 697 21.163 -15.815 -12.052 1.00 19.78 C ATOM 456 CD2 TYR A 697 22.106 -14.163 -10.581 1.00 18.23 C ATOM 457 CE1 TYR A 697 20.713 -14.767 -12.899 1.00 20.24 C ATOM 458 CE2 TYR A 697 21.681 -13.137 -11.435 1.00 18.39 C ATOM 459 CZ TYR A 697 20.936 -13.454 -12.574 1.00 18.58 C ATOM 460 OH TYR A 697 20.451 -12.475 -13.428 1.00 18.42 O ATOM 461 HH TYR A 697 21.209 -11.954 -13.795 1.00 0.00 H ATOM 462 H TYR A 697 21.645 -15.202 -8.022 1.00 0.00 H ATOM 463 N LEU A 698 22.355 -18.344 -7.116 1.00 21.45 N ATOM 464 CA LEU A 698 22.599 -19.547 -6.315 1.00 23.40 C ATOM 465 C LEU A 698 21.343 -20.223 -5.830 1.00 24.10 C ATOM 466 O LEU A 698 21.374 -21.453 -5.578 1.00 25.58 O ATOM 467 CB LEU A 698 23.472 -19.227 -5.096 1.00 22.78 C ATOM 468 CG LEU A 698 24.855 -18.750 -5.424 1.00 23.73 C ATOM 469 CD1 LEU A 698 25.507 -18.217 -4.159 1.00 23.71 C ATOM 470 CD2 LEU A 698 25.768 -19.866 -6.010 1.00 24.96 C ATOM 471 H LEU A 698 22.576 -17.410 -6.716 1.00 0.00 H ATOM 472 N THR A 699 20.263 -19.451 -5.689 1.00 23.67 N ATOM 473 CA THR A 699 19.055 -19.866 -4.970 1.00 24.24 C ATOM 474 C THR A 699 17.973 -20.316 -5.973 1.00 25.33 C ATOM 475 O THR A 699 17.142 -21.161 -5.631 1.00 26.84 O ATOM 476 CB THR A 699 18.524 -18.693 -4.073 1.00 23.77 C ATOM 477 OG1 THR A 699 19.500 -18.375 -3.103 1.00 24.10 O ATOM 478 CG2 THR A 699 17.235 -19.096 -3.272 1.00 23.70 C ATOM 479 HG1 THR A 699 20.335 -18.097 -3.556 1.00 0.00 H ATOM 480 H THR A 699 20.280 -18.502 -6.113 1.00 0.00 H ATOM 481 N ILE A 700 17.985 -19.780 -7.209 1.00 23.99 N ATOM 482 CA ILE A 700 16.818 -19.868 -8.127 1.00 24.48 C ATOM 483 C ILE A 700 17.225 -20.656 -9.379 1.00 25.68 C ATOM 484 O ILE A 700 18.146 -20.262 -10.085 1.00 24.96 O ATOM 485 CB ILE A 700 16.378 -18.434 -8.541 1.00 23.00 C ATOM 486 CG1 ILE A 700 15.824 -17.654 -7.346 1.00 22.33 C ATOM 487 CG2 ILE A 700 15.462 -18.419 -9.717 1.00 23.29 C ATOM 488 CD1 ILE A 700 14.718 -18.313 -6.525 1.00 21.90 C ATOM 489 H ILE A 700 18.841 -19.287 -7.533 1.00 0.00 H ATOM 490 N LYS A 701 16.495 -21.727 -9.639 1.00 26.80 N ATOM 491 CA LYS A 701 16.747 -22.687 -10.723 1.00 28.52 C ATOM 492 C LYS A 701 16.421 -22.047 -12.069 1.00 27.50 C ATOM 493 O LYS A 701 17.160 -22.231 -13.028 1.00 26.81 O ATOM 494 CB LYS A 701 15.893 -23.972 -10.505 1.00 31.75 C ATOM 495 CG LYS A 701 16.387 -25.211 -11.260 1.00 36.79 C ATOM 496 H LYS A 701 15.674 -21.905 -9.026 1.00 0.00 H ATOM 497 N LYS A 702 15.321 -21.283 -12.143 1.00 24.56 N ATOM 498 CA LYS A 702 14.860 -20.689 -13.389 1.00 25.50 C ATOM 499 C LYS A 702 14.644 -19.178 -13.263 1.00 22.81 C ATOM 500 O LYS A 702 13.557 -18.747 -12.899 1.00 20.29 O ATOM 501 CB LYS A 702 13.572 -21.351 -13.871 1.00 29.10 C ATOM 502 CG LYS A 702 13.035 -20.863 -15.219 1.00 33.82 C ATOM 503 CD LYS A 702 12.100 -21.936 -15.844 1.00 40.08 C ATOM 504 CE LYS A 702 11.247 -21.515 -17.061 1.00 41.02 C ATOM 505 NZ LYS A 702 11.977 -20.537 -17.903 1.00 42.06 N ATOM 506 HZ1 LYS A 702 12.197 -19.692 -17.339 1.00 0.00 H ATOM 507 HZ2 LYS A 702 12.860 -20.967 -18.245 1.00 0.00 H ATOM 508 HZ3 LYS A 702 11.384 -20.269 -18.714 1.00 0.00 H ATOM 509 H LYS A 702 14.776 -21.108 -11.275 1.00 0.00 H ATOM 510 N PRO A 703 15.682 -18.398 -13.580 1.00 21.65 N ATOM 511 CA PRO A 703 15.584 -16.939 -13.505 1.00 20.65 C ATOM 512 C PRO A 703 14.445 -16.407 -14.416 1.00 21.73 C ATOM 513 O PRO A 703 14.165 -16.968 -15.504 1.00 21.69 O ATOM 514 CB PRO A 703 16.977 -16.446 -13.930 1.00 21.24 C ATOM 515 CG PRO A 703 17.899 -17.599 -13.629 1.00 22.35 C ATOM 516 CD PRO A 703 17.084 -18.854 -13.862 1.00 22.83 C ATOM 517 N MET A 704 13.745 -15.384 -13.933 1.00 18.94 N ATOM 518 CA MET A 704 12.683 -14.757 -14.711 1.00 19.13 C ATOM 519 C MET A 704 12.606 -13.261 -14.363 1.00 17.22 C ATOM 520 O MET A 704 12.707 -12.893 -13.191 1.00 17.62 O ATOM 521 CB MET A 704 11.348 -15.425 -14.320 1.00 20.59 C ATOM 522 CG MET A 704 10.183 -15.011 -15.212 1.00 21.53 C ATOM 523 SD MET A 704 10.377 -15.205 -17.011 1.00 24.21 S ATOM 524 CE MET A 704 10.519 -16.960 -16.994 1.00 25.35 C ATOM 525 H MET A 704 13.960 -15.024 -12.981 1.00 0.00 H ATOM 526 N ASP A 705 12.341 -12.420 -15.345 1.00 17.07 N ATOM 527 CA ASP A 705 12.022 -11.003 -15.145 1.00 16.48 C ATOM 528 C ASP A 705 10.958 -10.557 -16.165 1.00 16.92 C ATOM 529 O ASP A 705 10.607 -11.356 -17.043 1.00 16.41 O ATOM 530 CB ASP A 705 13.299 -10.145 -15.155 1.00 16.71 C ATOM 531 CG ASP A 705 14.108 -10.209 -16.475 1.00 18.15 C ATOM 532 OD1 ASP A 705 13.591 -10.542 -17.577 1.00 17.90 O ATOM 533 OD2 ASP A 705 15.334 -9.905 -16.352 1.00 18.41 O ATOM 534 H ASP A 705 12.360 -12.784 -16.319 1.00 0.00 H ATOM 535 N MET A 706 10.427 -9.339 -16.009 1.00 16.60 N ATOM 536 CA MET A 706 9.328 -8.917 -16.873 1.00 17.63 C ATOM 537 C MET A 706 9.822 -8.657 -18.288 1.00 19.38 C ATOM 538 O MET A 706 9.054 -8.887 -19.229 1.00 20.74 O ATOM 539 CB MET A 706 8.608 -7.723 -16.310 1.00 17.39 C ATOM 540 CG MET A 706 7.910 -8.114 -15.019 1.00 17.43 C ATOM 541 SD MET A 706 6.833 -6.894 -14.292 1.00 17.93 S ATOM 542 CE MET A 706 5.860 -6.401 -15.665 1.00 17.81 C ATOM 543 H MET A 706 10.794 -8.697 -15.278 1.00 0.00 H ATOM 544 N GLU A 707 11.083 -8.276 -18.450 1.00 20.14 N ATOM 545 CA GLU A 707 11.612 -8.067 -19.840 1.00 23.49 C ATOM 546 C GLU A 707 11.607 -9.368 -20.617 1.00 23.26 C ATOM 547 O GLU A 707 11.270 -9.349 -21.826 1.00 25.35 O ATOM 548 CB GLU A 707 12.975 -7.355 -19.869 1.00 27.58 C ATOM 549 CG GLU A 707 12.973 -5.898 -19.361 1.00 31.50 C ATOM 550 CD GLU A 707 12.431 -4.808 -20.296 1.00 37.05 C ATOM 551 OE1 GLU A 707 11.983 -5.091 -21.455 1.00 38.29 O ATOM 552 OE2 GLU A 707 12.492 -3.632 -19.838 1.00 39.72 O ATOM 553 H GLU A 707 11.697 -8.124 -17.625 1.00 0.00 H ATOM 554 N LYS A 708 11.908 -10.495 -19.976 1.00 23.04 N ATOM 555 CA LYS A 708 11.875 -11.819 -20.603 1.00 25.49 C ATOM 556 C LYS A 708 10.444 -12.223 -21.048 1.00 24.11 C ATOM 557 O LYS A 708 10.221 -12.807 -22.132 1.00 24.33 O ATOM 558 CB LYS A 708 12.413 -12.851 -19.633 1.00 27.14 C ATOM 559 CG LYS A 708 12.540 -14.301 -20.106 1.00 32.99 C ATOM 560 CD LYS A 708 13.460 -15.035 -19.102 1.00 36.61 C ATOM 561 CE LYS A 708 13.474 -16.545 -19.248 1.00 40.07 C ATOM 562 NZ LYS A 708 13.937 -17.084 -20.565 1.00 42.69 N ATOM 563 HZ1 LYS A 708 13.316 -16.730 -21.321 1.00 0.00 H ATOM 564 HZ2 LYS A 708 14.913 -16.772 -20.742 1.00 0.00 H ATOM 565 HZ3 LYS A 708 13.903 -18.123 -20.544 1.00 0.00 H ATOM 566 H LYS A 708 12.182 -10.432 -18.975 1.00 0.00 H ATOM 567 N ILE A 709 9.494 -11.934 -20.175 1.00 22.92 N ATOM 568 CA ILE A 709 8.054 -12.134 -20.485 1.00 22.87 C ATOM 569 C ILE A 709 7.622 -11.220 -21.612 1.00 23.30 C ATOM 570 O ILE A 709 6.970 -11.702 -22.588 1.00 26.62 O ATOM 571 CB ILE A 709 7.195 -11.972 -19.185 1.00 22.10 C ATOM 572 CG1 ILE A 709 7.526 -13.038 -18.136 1.00 22.17 C ATOM 573 CG2 ILE A 709 5.702 -12.031 -19.536 1.00 21.99 C ATOM 574 CD1 ILE A 709 6.935 -12.788 -16.709 1.00 21.19 C ATOM 575 H ILE A 709 9.762 -11.556 -19.244 1.00 0.00 H ATOM 576 N ARG A 710 7.934 -9.938 -21.531 1.00 24.29 N ATOM 577 CA ARG A 710 7.609 -8.958 -22.579 1.00 28.77 C ATOM 578 C ARG A 710 8.190 -9.348 -23.949 1.00 29.86 C ATOM 579 O ARG A 710 7.499 -9.218 -24.969 1.00 29.79 O ATOM 580 CB ARG A 710 8.109 -7.572 -22.217 1.00 30.43 C ATOM 581 CG ARG A 710 7.600 -6.454 -23.123 1.00 34.13 C ATOM 582 CD ARG A 710 8.147 -5.087 -22.757 1.00 37.28 C ATOM 583 NE ARG A 710 7.407 -4.015 -23.448 1.00 43.71 N ATOM 584 CZ ARG A 710 7.622 -3.619 -24.722 1.00 46.48 C ATOM 585 NH1 ARG A 710 8.579 -4.172 -25.483 1.00 46.93 N ATOM 586 NH2 ARG A 710 6.887 -2.634 -25.243 1.00 49.78 N ATOM 587 HE ARG A 710 6.661 -3.525 -22.913 1.00 0.00 H ATOM 588 HH12 ARG A 710 8.720 -3.845 -26.460 1.00 0.00 H ATOM 589 HH11 ARG A 710 9.180 -4.927 -25.096 1.00 0.00 H ATOM 590 HH22 ARG A 710 7.049 -2.326 -26.223 1.00 0.00 H ATOM 591 HH21 ARG A 710 6.152 -2.174 -24.669 1.00 0.00 H ATOM 592 H ARG A 710 8.435 -9.605 -20.683 1.00 0.00 H ATOM 593 N SER A 711 9.435 -9.804 -23.976 1.00 32.07 N ATOM 594 CA SER A 711 10.041 -10.344 -25.251 1.00 33.02 C ATOM 595 C SER A 711 9.338 -11.566 -25.841 1.00 32.35 C ATOM 596 O SER A 711 9.182 -11.682 -27.075 1.00 33.51 O ATOM 597 CB SER A 711 11.527 -10.738 -25.061 1.00 33.24 C ATOM 598 OG SER A 711 12.245 -9.687 -24.469 1.00 35.71 O ATOM 599 HG SER A 711 11.852 -9.478 -23.585 1.00 0.00 H ATOM 600 H SER A 711 10.004 -9.790 -23.105 1.00 0.00 H ATOM 601 N HIS A 712 9.035 -12.528 -24.984 1.00 31.35 N ATOM 602 CA HIS A 712 8.286 -13.714 -25.374 1.00 33.63 C ATOM 603 C HIS A 712 6.920 -13.287 -25.925 1.00 33.44 C ATOM 604 O HIS A 712 6.526 -13.710 -27.033 1.00 33.02 O ATOM 605 CB HIS A 712 8.192 -14.727 -24.224 1.00 33.78 C ATOM 606 CG HIS A 712 8.127 -16.161 -24.672 1.00 37.60 C ATOM 607 ND1 HIS A 712 6.961 -16.906 -24.659 1.00 39.65 N ATOM 608 CD2 HIS A 712 9.087 -16.984 -25.149 1.00 39.15 C ATOM 609 CE1 HIS A 712 7.210 -18.132 -25.087 1.00 40.91 C ATOM 610 NE2 HIS A 712 8.498 -18.209 -25.375 1.00 42.33 N ATOM 611 H HIS A 712 9.343 -12.433 -23.995 1.00 0.00 H ATOM 612 N MET A 713 6.246 -12.375 -25.218 1.00 33.10 N ATOM 613 CA MET A 713 4.966 -11.810 -25.691 1.00 34.50 C ATOM 614 C MET A 713 5.121 -11.119 -27.057 1.00 36.54 C ATOM 615 O MET A 713 4.308 -11.309 -27.999 1.00 34.57 O ATOM 616 CB MET A 713 4.416 -10.789 -24.701 1.00 32.98 C ATOM 617 CG MET A 713 3.133 -10.124 -25.182 1.00 32.66 C ATOM 618 SD MET A 713 2.365 -8.942 -24.093 1.00 32.19 S ATOM 619 CE MET A 713 3.454 -7.538 -23.917 1.00 31.30 C ATOM 620 H MET A 713 6.634 -12.054 -24.308 1.00 0.00 H ATOM 621 N MET A 714 6.140 -10.284 -27.155 1.00 39.68 N ATOM 622 CA MET A 714 6.309 -9.557 -28.377 1.00 43.00 C ATOM 623 C MET A 714 6.834 -10.292 -29.614 1.00 44.46 C ATOM 624 O MET A 714 6.508 -9.886 -30.745 1.00 44.14 O ATOM 625 CB MET A 714 6.752 -8.130 -28.088 1.00 42.18 C ATOM 626 CG MET A 714 5.382 -7.477 -28.026 1.00 42.93 C ATOM 627 SD MET A 714 5.224 -5.799 -27.599 1.00 45.94 S ATOM 628 CE MET A 714 3.729 -5.344 -28.508 1.00 49.77 C ATOM 629 H MET A 714 6.803 -10.158 -26.364 1.00 0.00 H ATOM 630 N ALA A 715 7.435 -11.455 -29.411 1.00 45.55 N ATOM 631 CA ALA A 715 7.705 -12.366 -30.503 1.00 45.45 C ATOM 632 C ALA A 715 6.520 -13.223 -30.817 1.00 45.09 C ATOM 633 O ALA A 715 6.676 -14.208 -31.518 1.00 42.43 O ATOM 634 CB ALA A 715 8.886 -13.267 -30.169 1.00 45.79 C ATOM 635 H ALA A 715 7.719 -11.719 -28.446 1.00 0.00 H ATOM 636 N ASN A 716 5.340 -12.911 -30.276 1.00 43.55 N ATOM 637 CA ASN A 716 4.163 -13.745 -30.467 1.00 44.68 C ATOM 638 C ASN A 716 4.403 -15.221 -30.152 1.00 42.95 C ATOM 639 O ASN A 716 3.898 -16.084 -30.860 1.00 41.20 O ATOM 640 CB ASN A 716 3.577 -13.569 -31.893 1.00 47.06 C ATOM 641 CG ASN A 716 2.984 -12.201 -32.103 1.00 49.87 C ATOM 642 OD1 ASN A 716 3.414 -11.446 -32.966 1.00 56.59 O ATOM 643 ND2 ASN A 716 2.023 -11.855 -31.290 1.00 49.91 N ATOM 644 HD22 ASN A 716 1.685 -12.525 -30.570 1.00 0.00 H ATOM 645 HD21 ASN A 716 1.596 -10.910 -31.363 1.00 0.00 H ATOM 646 H ASN A 716 5.260 -12.048 -29.702 1.00 0.00 H ATOM 647 N LYS A 717 5.193 -15.494 -29.112 1.00 40.28 N ATOM 648 CA LYS A 717 5.229 -16.819 -28.492 1.00 41.84 C ATOM 649 C LYS A 717 4.136 -16.653 -27.374 1.00 42.93 C ATOM 650 O LYS A 717 3.432 -15.638 -27.311 1.00 43.95 O ATOM 651 CB LYS A 717 6.682 -17.117 -28.050 1.00 45.22 C ATOM 652 CG LYS A 717 7.145 -18.569 -28.158 1.00 46.61 C ATOM 653 H LYS A 717 5.802 -14.742 -28.730 1.00 0.00 H ATOM 654 N TYR A 718 3.940 -17.602 -26.483 1.00 41.88 N ATOM 655 CA TYR A 718 2.705 -17.651 -25.713 1.00 37.34 C ATOM 656 C TYR A 718 1.552 -17.982 -26.684 1.00 39.48 C ATOM 657 O TYR A 718 1.096 -17.127 -27.443 1.00 39.58 O ATOM 658 CB TYR A 718 2.287 -16.400 -24.871 1.00 34.63 C ATOM 659 CG TYR A 718 3.294 -16.087 -23.781 1.00 31.22 C ATOM 660 CD1 TYR A 718 3.688 -17.064 -22.903 1.00 29.54 C ATOM 661 CD2 TYR A 718 3.799 -14.797 -23.620 1.00 30.73 C ATOM 662 CE1 TYR A 718 4.622 -16.792 -21.897 1.00 27.54 C ATOM 663 CE2 TYR A 718 4.723 -14.504 -22.603 1.00 27.95 C ATOM 664 CZ TYR A 718 5.125 -15.515 -21.764 1.00 26.56 C ATOM 665 OH TYR A 718 6.079 -15.283 -20.746 1.00 25.67 O ATOM 666 HH TYR A 718 6.240 -16.124 -20.249 1.00 0.00 H ATOM 667 H TYR A 718 4.673 -18.323 -26.328 1.00 0.00 H ATOM 668 N GLN A 719 1.130 -19.221 -26.582 1.00 42.12 N ATOM 669 CA GLN A 719 0.018 -19.773 -27.353 1.00 45.78 C ATOM 670 C GLN A 719 -1.289 -19.577 -26.601 1.00 43.82 C ATOM 671 O GLN A 719 -2.361 -19.739 -27.181 1.00 43.08 O ATOM 672 CB GLN A 719 0.259 -21.279 -27.568 1.00 48.96 C ATOM 673 CG GLN A 719 1.630 -21.626 -28.121 1.00 52.86 C ATOM 674 CD GLN A 719 1.977 -20.819 -29.364 1.00 57.19 C ATOM 675 OE1 GLN A 719 2.934 -20.032 -29.361 1.00 61.16 O ATOM 676 NE2 GLN A 719 1.191 -21.002 -30.436 1.00 58.02 N ATOM 677 HE22 GLN A 719 0.399 -21.674 -30.391 1.00 0.00 H ATOM 678 HE21 GLN A 719 1.374 -20.472 -31.312 1.00 0.00 H ATOM 679 H GLN A 719 1.617 -19.849 -25.911 1.00 0.00 H ATOM 680 N ASP A 720 -1.218 -19.301 -25.297 1.00 40.76 N ATOM 681 CA ASP A 720 -2.396 -19.022 -24.504 1.00 40.46 C ATOM 682 C ASP A 720 -2.050 -18.157 -23.284 1.00 38.81 C ATOM 683 O ASP A 720 -0.898 -18.019 -22.920 1.00 35.45 O ATOM 684 CB ASP A 720 -3.031 -20.329 -24.028 1.00 43.83 C ATOM 685 CG ASP A 720 -2.047 -21.224 -23.313 1.00 47.34 C ATOM 686 OD1 ASP A 720 -0.918 -20.783 -23.008 1.00 49.93 O ATOM 687 OD2 ASP A 720 -2.387 -22.394 -23.067 1.00 54.00 O ATOM 688 H ASP A 720 -0.286 -19.286 -24.836 1.00 0.00 H ATOM 689 N ILE A 721 -3.082 -17.647 -22.654 1.00 37.19 N ATOM 690 CA ILE A 721 -2.921 -16.739 -21.557 1.00 37.81 C ATOM 691 C ILE A 721 -2.269 -17.371 -20.329 1.00 35.61 C ATOM 692 O ILE A 721 -1.474 -16.699 -19.635 1.00 32.43 O ATOM 693 CB ILE A 721 -4.294 -16.134 -21.178 1.00 39.26 C ATOM 694 CG1 ILE A 721 -4.698 -15.159 -22.274 1.00 42.29 C ATOM 695 CG2 ILE A 721 -4.266 -15.414 -19.839 1.00 40.12 C ATOM 696 CD1 ILE A 721 -3.860 -13.896 -22.330 1.00 43.62 C ATOM 697 H ILE A 721 -4.041 -17.908 -22.959 1.00 0.00 H ATOM 698 N ASP A 722 -2.609 -18.626 -20.039 1.00 34.40 N ATOM 699 CA ASP A 722 -2.098 -19.240 -18.824 1.00 35.36 C ATOM 700 C ASP A 722 -0.602 -19.556 -18.830 1.00 33.42 C ATOM 701 O ASP A 722 -0.012 -19.641 -17.749 1.00 30.07 O ATOM 702 CB ASP A 722 -2.949 -20.433 -18.389 1.00 36.98 C ATOM 703 CG ASP A 722 -4.296 -19.996 -17.837 1.00 38.17 C ATOM 704 OD1 ASP A 722 -4.379 -19.007 -17.071 1.00 38.33 O ATOM 705 OD2 ASP A 722 -5.284 -20.623 -18.169 1.00 40.41 O ATOM 706 H ASP A 722 -3.234 -19.161 -20.675 1.00 0.00 H ATOM 707 N SER A 723 0.001 -19.651 -20.014 1.00 32.22 N ATOM 708 CA SER A 723 1.477 -19.721 -20.134 1.00 32.10 C ATOM 709 C SER A 723 2.177 -18.454 -19.578 1.00 28.89 C ATOM 710 O SER A 723 3.219 -18.535 -18.876 1.00 27.69 O ATOM 711 CB SER A 723 1.902 -19.893 -21.596 1.00 33.88 C ATOM 712 OG SER A 723 1.422 -21.097 -22.130 1.00 37.30 O ATOM 713 HG SER A 723 0.433 -21.105 -22.087 1.00 0.00 H ATOM 714 H SER A 723 -0.579 -19.677 -20.877 1.00 0.00 H ATOM 715 N MET A 724 1.621 -17.297 -19.914 1.00 26.27 N ATOM 716 CA MET A 724 2.133 -16.027 -19.455 1.00 24.27 C ATOM 717 C MET A 724 1.852 -15.913 -17.958 1.00 22.86 C ATOM 718 O MET A 724 2.749 -15.511 -17.204 1.00 21.11 O ATOM 719 CB MET A 724 1.531 -14.832 -20.227 1.00 24.63 C ATOM 720 CG MET A 724 1.728 -13.498 -19.516 1.00 23.43 C ATOM 721 SD MET A 724 1.098 -12.005 -20.240 1.00 23.60 S ATOM 722 CE MET A 724 2.225 -11.839 -21.606 1.00 24.00 C ATOM 723 H MET A 724 0.784 -17.305 -20.532 1.00 0.00 H ATOM 724 N VAL A 725 0.632 -16.257 -17.511 1.00 22.10 N ATOM 725 CA VAL A 725 0.376 -16.307 -16.046 1.00 21.60 C ATOM 726 C VAL A 725 1.388 -17.175 -15.282 1.00 21.87 C ATOM 727 O VAL A 725 1.901 -16.721 -14.221 1.00 20.61 O ATOM 728 CB VAL A 725 -1.088 -16.732 -15.686 1.00 22.41 C ATOM 729 CG1 VAL A 725 -1.293 -16.882 -14.199 1.00 22.16 C ATOM 730 CG2 VAL A 725 -2.057 -15.706 -16.216 1.00 23.24 C ATOM 731 H VAL A 725 -0.127 -16.486 -18.184 1.00 0.00 H ATOM 732 N GLU A 726 1.700 -18.367 -15.791 1.00 22.33 N ATOM 733 CA GLU A 726 2.633 -19.306 -15.124 1.00 23.64 C ATOM 734 C GLU A 726 4.039 -18.648 -15.074 1.00 21.92 C ATOM 735 O GLU A 726 4.730 -18.804 -14.082 1.00 22.11 O ATOM 736 CB GLU A 726 2.764 -20.650 -15.846 1.00 28.41 C ATOM 737 CG GLU A 726 1.699 -21.682 -15.545 1.00 34.58 C ATOM 738 CD GLU A 726 1.856 -22.936 -16.410 1.00 39.07 C ATOM 739 OE1 GLU A 726 3.002 -23.297 -16.778 1.00 45.51 O ATOM 740 OE2 GLU A 726 0.825 -23.534 -16.763 1.00 47.20 O ATOM 741 H GLU A 726 1.270 -18.650 -16.695 1.00 0.00 H ATOM 742 N ASP A 727 4.445 -17.926 -16.109 1.00 20.52 N ATOM 743 CA ASP A 727 5.784 -17.228 -16.037 1.00 20.62 C ATOM 744 C ASP A 727 5.763 -16.109 -14.985 1.00 18.47 C ATOM 745 O ASP A 727 6.741 -15.939 -14.208 1.00 16.84 O ATOM 746 CB ASP A 727 6.263 -16.668 -17.379 1.00 21.97 C ATOM 747 CG ASP A 727 6.790 -17.762 -18.366 1.00 25.15 C ATOM 748 OD1 ASP A 727 7.128 -18.867 -17.924 1.00 26.21 O ATOM 749 OD2 ASP A 727 6.895 -17.444 -19.585 1.00 27.20 O ATOM 750 H ASP A 727 3.851 -17.841 -16.958 1.00 0.00 H ATOM 751 N PHE A 728 4.668 -15.328 -14.898 1.00 16.97 N ATOM 752 CA PHE A 728 4.580 -14.331 -13.788 1.00 16.24 C ATOM 753 C PHE A 728 4.607 -15.033 -12.424 1.00 16.49 C ATOM 754 O PHE A 728 5.234 -14.562 -11.453 1.00 15.66 O ATOM 755 CB PHE A 728 3.324 -13.452 -13.919 1.00 15.74 C ATOM 756 CG PHE A 728 3.481 -12.252 -14.777 1.00 15.62 C ATOM 757 CD1 PHE A 728 4.205 -11.142 -14.326 1.00 15.48 C ATOM 758 CD2 PHE A 728 2.931 -12.213 -16.069 1.00 16.36 C ATOM 759 CE1 PHE A 728 4.384 -10.026 -15.147 1.00 15.97 C ATOM 760 CE2 PHE A 728 3.014 -11.053 -16.819 1.00 16.94 C ATOM 761 CZ PHE A 728 3.746 -9.972 -16.378 1.00 16.47 C ATOM 762 H PHE A 728 3.898 -15.418 -15.591 1.00 0.00 H ATOM 763 N VAL A 729 3.859 -16.135 -12.290 1.00 17.58 N ATOM 764 CA VAL A 729 3.807 -16.863 -10.986 1.00 18.61 C ATOM 765 C VAL A 729 5.201 -17.380 -10.615 1.00 18.86 C ATOM 766 O VAL A 729 5.616 -17.227 -9.458 1.00 19.32 O ATOM 767 CB VAL A 729 2.771 -18.022 -10.996 1.00 20.28 C ATOM 768 CG1 VAL A 729 2.860 -18.890 -9.714 1.00 20.84 C ATOM 769 CG2 VAL A 729 1.387 -17.420 -11.171 1.00 20.71 C ATOM 770 H VAL A 729 3.310 -16.487 -13.100 1.00 0.00 H ATOM 771 N MET A 730 5.932 -17.900 -11.583 1.00 19.44 N ATOM 772 CA MET A 730 7.306 -18.362 -11.267 1.00 20.96 C ATOM 773 C MET A 730 8.168 -17.200 -10.805 1.00 18.27 C ATOM 774 O MET A 730 8.893 -17.340 -9.828 1.00 18.12 O ATOM 775 CB MET A 730 7.954 -18.988 -12.481 1.00 24.45 C ATOM 776 CG MET A 730 9.338 -19.635 -12.170 1.00 29.92 C ATOM 777 SD MET A 730 9.802 -20.455 -13.692 1.00 40.39 S ATOM 778 CE MET A 730 10.208 -19.040 -14.698 1.00 36.77 C ATOM 779 H MET A 730 5.553 -17.984 -12.548 1.00 0.00 H ATOM 780 N MET A 731 8.059 -16.059 -11.484 1.00 17.11 N ATOM 781 CA MET A 731 8.778 -14.835 -11.079 1.00 16.73 C ATOM 782 C MET A 731 8.488 -14.417 -9.630 1.00 16.05 C ATOM 783 O MET A 731 9.384 -14.165 -8.783 1.00 15.53 O ATOM 784 CB MET A 731 8.501 -13.700 -12.056 1.00 17.22 C ATOM 785 CG MET A 731 9.384 -12.465 -11.846 1.00 17.05 C ATOM 786 SD MET A 731 8.977 -11.066 -12.905 1.00 17.26 S ATOM 787 CE MET A 731 7.429 -10.578 -12.093 1.00 17.32 C ATOM 788 H MET A 731 7.448 -16.030 -12.325 1.00 0.00 H ATOM 789 N PHE A 732 7.224 -14.310 -9.283 1.00 15.75 N ATOM 790 CA PHE A 732 6.900 -13.990 -7.889 1.00 16.59 C ATOM 791 C PHE A 732 7.262 -15.075 -6.863 1.00 17.04 C ATOM 792 O PHE A 732 7.747 -14.758 -5.767 1.00 18.24 O ATOM 793 CB PHE A 732 5.393 -13.618 -7.799 1.00 16.71 C ATOM 794 CG PHE A 732 5.006 -12.474 -8.660 1.00 17.10 C ATOM 795 CD1 PHE A 732 5.722 -11.296 -8.652 1.00 17.87 C ATOM 796 CD2 PHE A 732 3.878 -12.578 -9.489 1.00 17.88 C ATOM 797 CE1 PHE A 732 5.364 -10.227 -9.477 1.00 19.09 C ATOM 798 CE2 PHE A 732 3.536 -11.527 -10.324 1.00 18.68 C ATOM 799 CZ PHE A 732 4.226 -10.338 -10.297 1.00 18.57 C ATOM 800 H PHE A 732 6.468 -14.450 -9.984 1.00 0.00 H ATOM 801 N ASN A 733 7.090 -16.349 -7.211 1.00 18.29 N ATOM 802 CA ASN A 733 7.574 -17.451 -6.372 1.00 19.85 C ATOM 803 C ASN A 733 9.083 -17.365 -6.224 1.00 18.34 C ATOM 804 O ASN A 733 9.562 -17.506 -5.107 1.00 19.63 O ATOM 805 CB ASN A 733 7.166 -18.830 -6.919 1.00 22.94 C ATOM 806 CG ASN A 733 5.699 -19.137 -6.614 1.00 26.87 C ATOM 807 OD1 ASN A 733 5.147 -18.667 -5.596 1.00 31.49 O ATOM 808 ND2 ASN A 733 5.090 -19.944 -7.422 1.00 26.88 N ATOM 809 HD22 ASN A 733 5.585 -20.313 -8.259 1.00 0.00 H ATOM 810 HD21 ASN A 733 4.106 -20.223 -7.234 1.00 0.00 H ATOM 811 H ASN A 733 6.599 -16.569 -8.101 1.00 0.00 H ATOM 812 N ASN A 734 9.820 -17.118 -7.308 1.00 17.49 N ATOM 813 CA ASN A 734 11.266 -16.851 -7.177 1.00 17.08 C ATOM 814 C ASN A 734 11.580 -15.742 -6.170 1.00 16.54 C ATOM 815 O ASN A 734 12.428 -15.907 -5.237 1.00 17.15 O ATOM 816 CB ASN A 734 11.907 -16.505 -8.544 1.00 17.20 C ATOM 817 CG ASN A 734 11.987 -17.668 -9.531 1.00 17.49 C ATOM 818 OD1 ASN A 734 11.857 -18.859 -9.187 1.00 19.86 O ATOM 819 ND2 ASN A 734 12.211 -17.330 -10.811 1.00 18.46 N ATOM 820 HD22 ASN A 734 12.316 -16.329 -11.074 1.00 0.00 H ATOM 821 HD21 ASN A 734 12.279 -18.069 -11.540 1.00 0.00 H ATOM 822 H ASN A 734 9.375 -17.114 -8.248 1.00 0.00 H ATOM 823 N ALA A 735 10.941 -14.587 -6.321 1.00 15.56 N ATOM 824 CA ALA A 735 11.185 -13.430 -5.430 1.00 15.94 C ATOM 825 C ALA A 735 10.952 -13.799 -3.953 1.00 16.66 C ATOM 826 O ALA A 735 11.699 -13.401 -3.091 1.00 15.84 O ATOM 827 CB ALA A 735 10.310 -12.276 -5.819 1.00 15.43 C ATOM 828 H ALA A 735 10.247 -14.493 -7.090 1.00 0.00 H ATOM 829 N CYS A 736 9.887 -14.568 -3.698 1.00 17.65 N ATOM 830 CA CYS A 736 9.522 -14.975 -2.355 1.00 18.54 C ATOM 831 C CYS A 736 10.353 -16.178 -1.839 1.00 19.86 C ATOM 832 O CYS A 736 10.300 -16.471 -0.668 1.00 21.07 O ATOM 833 CB CYS A 736 8.060 -15.302 -2.287 1.00 18.48 C ATOM 834 SG CYS A 736 7.024 -13.782 -2.496 1.00 18.99 S ATOM 835 H CYS A 736 9.298 -14.886 -4.494 1.00 0.00 H ATOM 836 N THR A 737 11.052 -16.899 -2.707 1.00 20.64 N ATOM 837 CA THR A 737 12.002 -17.962 -2.273 1.00 22.10 C ATOM 838 C THR A 737 13.330 -17.361 -1.857 1.00 21.78 C ATOM 839 O THR A 737 13.877 -17.694 -0.786 1.00 23.54 O ATOM 840 CB THR A 737 12.157 -18.989 -3.418 1.00 21.95 C ATOM 841 OG1 THR A 737 10.877 -19.550 -3.639 1.00 21.85 O ATOM 842 CG2 THR A 737 13.187 -20.126 -3.140 1.00 23.77 C ATOM 843 HG1 THR A 737 10.243 -18.833 -3.892 1.00 0.00 H ATOM 844 H THR A 737 10.933 -16.716 -3.724 1.00 0.00 H ATOM 845 N TYR A 738 13.829 -16.464 -2.708 1.00 19.95 N ATOM 846 CA TYR A 738 15.119 -15.783 -2.505 1.00 20.45 C ATOM 847 C TYR A 738 15.044 -14.766 -1.360 1.00 20.07 C ATOM 848 O TYR A 738 15.907 -14.767 -0.518 1.00 21.96 O ATOM 849 CB TYR A 738 15.597 -15.122 -3.791 1.00 21.13 C ATOM 850 CG TYR A 738 16.812 -14.214 -3.553 1.00 21.27 C ATOM 851 CD1 TYR A 738 17.955 -14.731 -2.919 1.00 23.24 C ATOM 852 CD2 TYR A 738 16.788 -12.867 -3.855 1.00 21.52 C ATOM 853 CE1 TYR A 738 19.057 -13.937 -2.688 1.00 22.90 C ATOM 854 CE2 TYR A 738 17.896 -12.045 -3.610 1.00 22.73 C ATOM 855 CZ TYR A 738 19.016 -12.625 -3.011 1.00 24.16 C ATOM 856 OH TYR A 738 20.068 -11.858 -2.666 1.00 27.40 O ATOM 857 HH TYR A 738 19.775 -11.172 -2.015 1.00 0.00 H ATOM 858 H TYR A 738 13.279 -16.233 -3.560 1.00 0.00 H ATOM 859 N ASN A 739 14.026 -13.903 -1.309 1.00 18.37 N ATOM 860 CA ASN A 739 13.915 -12.888 -0.293 1.00 17.43 C ATOM 861 C ASN A 739 13.169 -13.326 0.960 1.00 17.33 C ATOM 862 O ASN A 739 12.363 -14.268 0.943 1.00 16.84 O ATOM 863 CB ASN A 739 13.254 -11.643 -0.868 1.00 17.65 C ATOM 864 CG ASN A 739 14.091 -11.030 -1.987 1.00 17.43 C ATOM 865 OD1 ASN A 739 15.068 -10.305 -1.712 1.00 17.61 O ATOM 866 ND2 ASN A 739 13.686 -11.259 -3.218 1.00 16.54 N ATOM 867 HD22 ASN A 739 12.864 -11.873 -3.389 1.00 0.00 H ATOM 868 HD21 ASN A 739 14.188 -10.826 -4.020 1.00 0.00 H ATOM 869 H ASN A 739 13.282 -13.966 -2.033 1.00 0.00 H ATOM 870 N GLU A 740 13.439 -12.632 2.060 1.00 17.10 N ATOM 871 CA GLU A 740 12.756 -12.920 3.316 1.00 17.93 C ATOM 872 C GLU A 740 11.407 -12.252 3.377 1.00 17.04 C ATOM 873 O GLU A 740 11.204 -11.175 2.788 1.00 15.77 O ATOM 874 CB GLU A 740 13.576 -12.430 4.532 1.00 19.28 C ATOM 875 CG GLU A 740 14.923 -13.060 4.722 1.00 21.54 C ATOM 876 CD GLU A 740 14.894 -14.561 4.875 1.00 24.75 C ATOM 877 OE1 GLU A 740 14.011 -15.135 5.522 1.00 24.75 O ATOM 878 OE2 GLU A 740 15.874 -15.192 4.425 1.00 30.74 O ATOM 879 H GLU A 740 14.148 -11.872 2.025 1.00 0.00 H ATOM 880 N PRO A 741 10.471 -12.882 4.126 1.00 16.73 N ATOM 881 CA PRO A 741 9.135 -12.246 4.216 1.00 17.18 C ATOM 882 C PRO A 741 9.103 -10.823 4.695 1.00 18.73 C ATOM 883 O PRO A 741 8.161 -10.092 4.334 1.00 19.66 O ATOM 884 CB PRO A 741 8.418 -13.109 5.232 1.00 18.21 C ATOM 885 CG PRO A 741 9.078 -14.439 5.231 1.00 18.24 C ATOM 886 CD PRO A 741 10.478 -14.236 4.703 1.00 17.40 C ATOM 887 N GLU A 742 10.101 -10.426 5.502 1.00 19.02 N ATOM 888 CA GLU A 742 10.192 -9.061 6.045 1.00 20.73 C ATOM 889 C GLU A 742 10.573 -8.009 4.997 1.00 22.18 C ATOM 890 O GLU A 742 10.367 -6.806 5.252 1.00 24.17 O ATOM 891 CB GLU A 742 11.106 -8.996 7.275 1.00 21.35 C ATOM 892 CG GLU A 742 10.594 -9.808 8.424 1.00 22.85 C ATOM 893 CD GLU A 742 10.797 -11.319 8.294 1.00 22.98 C ATOM 894 OE1 GLU A 742 11.699 -11.765 7.536 1.00 21.18 O ATOM 895 OE2 GLU A 742 10.013 -12.030 8.931 1.00 22.30 O ATOM 896 H GLU A 742 10.841 -11.112 5.754 1.00 0.00 H ATOM 897 N SER A 743 11.126 -8.428 3.851 1.00 20.19 N ATOM 898 CA SER A 743 11.595 -7.491 2.853 1.00 20.01 C ATOM 899 C SER A 743 10.461 -6.879 2.030 1.00 19.08 C ATOM 900 O SER A 743 9.385 -7.487 1.791 1.00 18.16 O ATOM 901 CB SER A 743 12.578 -8.118 1.902 1.00 20.50 C ATOM 902 OG SER A 743 11.931 -9.108 1.196 1.00 19.72 O ATOM 903 HG SER A 743 11.587 -9.790 1.826 1.00 0.00 H ATOM 904 H SER A 743 11.220 -9.449 3.675 1.00 0.00 H ATOM 905 N LEU A 744 10.726 -5.689 1.526 1.00 18.63 N ATOM 906 CA LEU A 744 9.720 -5.013 0.699 1.00 18.66 C ATOM 907 C LEU A 744 9.458 -5.688 -0.623 1.00 17.24 C ATOM 908 O LEU A 744 8.298 -5.790 -1.028 1.00 15.51 O ATOM 909 CB LEU A 744 10.019 -3.506 0.485 1.00 20.42 C ATOM 910 CG LEU A 744 8.876 -2.694 -0.143 1.00 20.78 C ATOM 911 CD1 LEU A 744 7.623 -2.755 0.710 1.00 21.32 C ATOM 912 CD2 LEU A 744 9.318 -1.232 -0.298 1.00 23.04 C ATOM 913 H LEU A 744 11.642 -5.233 1.714 1.00 0.00 H ATOM 914 N ILE A 745 10.494 -6.225 -1.277 1.00 16.16 N ATOM 915 CA ILE A 745 10.277 -6.882 -2.553 1.00 17.06 C ATOM 916 C ILE A 745 9.325 -8.107 -2.409 1.00 16.23 C ATOM 917 O ILE A 745 8.502 -8.373 -3.292 1.00 15.97 O ATOM 918 CB ILE A 745 11.608 -7.276 -3.265 1.00 17.90 C ATOM 919 CG1 ILE A 745 11.348 -7.884 -4.616 1.00 19.47 C ATOM 920 CG2 ILE A 745 12.387 -8.298 -2.504 1.00 19.24 C ATOM 921 CD1 ILE A 745 12.613 -8.033 -5.452 1.00 21.84 C ATOM 922 H ILE A 745 11.451 -6.172 -0.873 1.00 0.00 H ATOM 923 N TYR A 746 9.451 -8.822 -1.295 1.00 16.21 N ATOM 924 CA TYR A 746 8.651 -9.991 -0.986 1.00 16.04 C ATOM 925 C TYR A 746 7.162 -9.567 -0.917 1.00 16.00 C ATOM 926 O TYR A 746 6.291 -10.203 -1.591 1.00 15.60 O ATOM 927 CB TYR A 746 9.110 -10.609 0.335 1.00 15.73 C ATOM 928 CG TYR A 746 8.465 -11.933 0.731 1.00 15.68 C ATOM 929 CD1 TYR A 746 7.141 -11.995 1.168 1.00 15.37 C ATOM 930 CD2 TYR A 746 9.187 -13.134 0.712 1.00 15.73 C ATOM 931 CE1 TYR A 746 6.520 -13.212 1.528 1.00 15.87 C ATOM 932 CE2 TYR A 746 8.586 -14.332 1.107 1.00 15.73 C ATOM 933 CZ TYR A 746 7.268 -14.368 1.502 1.00 15.77 C ATOM 934 OH TYR A 746 6.720 -15.576 1.872 1.00 17.53 O ATOM 935 HH TYR A 746 7.223 -15.943 2.642 1.00 0.00 H ATOM 936 H TYR A 746 10.168 -8.524 -0.603 1.00 0.00 H ATOM 937 N LYS A 747 6.903 -8.501 -0.144 1.00 17.04 N ATOM 938 CA LYS A 747 5.539 -7.967 0.019 1.00 18.20 C ATOM 939 C LYS A 747 4.973 -7.472 -1.333 1.00 17.09 C ATOM 940 O LYS A 747 3.858 -7.707 -1.689 1.00 16.64 O ATOM 941 CB LYS A 747 5.572 -6.803 0.982 1.00 21.92 C ATOM 942 CG LYS A 747 5.981 -7.226 2.360 1.00 26.57 C ATOM 943 CD LYS A 747 6.125 -6.084 3.390 1.00 31.40 C ATOM 944 CE LYS A 747 7.081 -6.560 4.474 1.00 34.65 C ATOM 945 NZ LYS A 747 7.073 -5.581 5.580 1.00 36.61 N ATOM 946 HZ1 LYS A 747 7.379 -4.653 5.223 1.00 0.00 H ATOM 947 HZ2 LYS A 747 6.111 -5.505 5.967 1.00 0.00 H ATOM 948 HZ3 LYS A 747 7.724 -5.898 6.327 1.00 0.00 H ATOM 949 H LYS A 747 7.689 -8.038 0.355 1.00 0.00 H ATOM 950 N ASP A 748 5.818 -6.795 -2.096 1.00 16.28 N ATOM 951 CA ASP A 748 5.464 -6.346 -3.428 1.00 16.61 C ATOM 952 C ASP A 748 5.096 -7.486 -4.375 1.00 16.03 C ATOM 953 O ASP A 748 4.115 -7.364 -5.130 1.00 16.43 O ATOM 954 CB ASP A 748 6.584 -5.518 -4.043 1.00 17.28 C ATOM 955 CG ASP A 748 6.711 -4.104 -3.452 1.00 17.99 C ATOM 956 OD1 ASP A 748 5.897 -3.581 -2.656 1.00 18.01 O ATOM 957 OD2 ASP A 748 7.725 -3.429 -3.788 1.00 18.30 O ATOM 958 H ASP A 748 6.766 -6.579 -1.727 1.00 0.00 H ATOM 959 N ALA A 749 5.837 -8.598 -4.325 1.00 15.42 N ATOM 960 CA ALA A 749 5.571 -9.793 -5.110 1.00 15.45 C ATOM 961 C ALA A 749 4.184 -10.347 -4.758 1.00 15.23 C ATOM 962 O ALA A 749 3.380 -10.678 -5.645 1.00 15.91 O ATOM 963 CB ALA A 749 6.629 -10.886 -4.821 1.00 15.04 C ATOM 964 H ALA A 749 6.656 -8.609 -3.684 1.00 0.00 H ATOM 965 N LEU A 750 3.852 -10.373 -3.476 1.00 15.00 N ATOM 966 CA LEU A 750 2.519 -10.812 -3.072 1.00 15.97 C ATOM 967 C LEU A 750 1.396 -9.971 -3.612 1.00 16.29 C ATOM 968 O LEU A 750 0.393 -10.526 -4.124 1.00 17.45 O ATOM 969 CB LEU A 750 2.394 -10.904 -1.579 1.00 17.49 C ATOM 970 CG LEU A 750 3.305 -11.771 -0.730 1.00 19.12 C ATOM 971 CD1 LEU A 750 2.941 -11.616 0.755 1.00 20.33 C ATOM 972 CD2 LEU A 750 3.074 -13.206 -1.155 1.00 20.61 C ATOM 973 H LEU A 750 4.542 -10.080 -2.755 1.00 0.00 H ATOM 974 N VAL A 751 1.548 -8.654 -3.565 1.00 15.52 N ATOM 975 CA VAL A 751 0.555 -7.742 -4.101 1.00 15.69 C ATOM 976 C VAL A 751 0.399 -7.924 -5.604 1.00 15.46 C ATOM 977 O VAL A 751 -0.722 -8.063 -6.112 1.00 14.93 O ATOM 978 CB VAL A 751 0.886 -6.299 -3.774 1.00 16.53 C ATOM 979 CG1 VAL A 751 -0.094 -5.348 -4.471 1.00 17.64 C ATOM 980 CG2 VAL A 751 0.834 -6.061 -2.274 1.00 16.70 C ATOM 981 H VAL A 751 2.407 -8.262 -3.130 1.00 0.00 H ATOM 982 N LEU A 752 1.529 -7.958 -6.336 1.00 14.98 N ATOM 983 CA LEU A 752 1.437 -8.128 -7.789 1.00 15.21 C ATOM 984 C LEU A 752 0.865 -9.467 -8.205 1.00 15.21 C ATOM 985 O LEU A 752 0.246 -9.573 -9.215 1.00 14.50 O ATOM 986 CB LEU A 752 2.795 -7.875 -8.423 1.00 15.68 C ATOM 987 CG LEU A 752 3.219 -6.417 -8.414 1.00 16.17 C ATOM 988 CD1 LEU A 752 4.585 -6.330 -9.083 1.00 16.71 C ATOM 989 CD2 LEU A 752 2.240 -5.462 -9.114 1.00 16.87 C ATOM 990 H LEU A 752 2.457 -7.865 -5.875 1.00 0.00 H ATOM 991 N HIS A 753 1.117 -10.498 -7.412 1.00 15.88 N ATOM 992 CA HIS A 753 0.554 -11.835 -7.679 1.00 17.94 C ATOM 993 C HIS A 753 -0.995 -11.726 -7.608 1.00 17.33 C ATOM 994 O HIS A 753 -1.647 -12.279 -8.396 1.00 17.22 O ATOM 995 CB HIS A 753 1.137 -12.888 -6.708 1.00 19.38 C ATOM 996 CG HIS A 753 0.478 -14.236 -6.834 1.00 23.68 C ATOM 997 ND1 HIS A 753 -0.574 -14.626 -6.023 1.00 28.37 N ATOM 998 CD2 HIS A 753 0.538 -15.154 -7.819 1.00 25.76 C ATOM 999 CE1 HIS A 753 -1.039 -15.808 -6.438 1.00 27.84 C ATOM 1000 NE2 HIS A 753 -0.367 -16.147 -7.538 1.00 26.27 N ATOM 1001 H HIS A 753 1.727 -10.361 -6.581 1.00 0.00 H ATOM 1002 N LYS A 754 -1.544 -11.042 -6.592 1.00 18.80 N ATOM 1003 CA LYS A 754 -2.980 -10.797 -6.462 1.00 20.24 C ATOM 1004 C LYS A 754 -3.531 -10.022 -7.671 1.00 19.09 C ATOM 1005 O LYS A 754 -4.612 -10.331 -8.155 1.00 18.88 O ATOM 1006 CB LYS A 754 -3.252 -10.037 -5.152 1.00 23.03 C ATOM 1007 CG LYS A 754 -4.670 -9.690 -4.842 1.00 27.88 C ATOM 1008 CD LYS A 754 -4.755 -8.999 -3.482 1.00 31.61 C ATOM 1009 CE LYS A 754 -4.793 -7.498 -3.682 1.00 35.38 C ATOM 1010 NZ LYS A 754 -6.206 -7.141 -4.086 1.00 38.98 N ATOM 1011 HZ1 LYS A 754 -6.449 -7.636 -4.968 1.00 0.00 H ATOM 1012 HZ2 LYS A 754 -6.864 -7.429 -3.333 1.00 0.00 H ATOM 1013 HZ3 LYS A 754 -6.274 -6.114 -4.234 1.00 0.00 H ATOM 1014 H LYS A 754 -0.913 -10.665 -5.856 1.00 0.00 H ATOM 1015 N VAL A 755 -2.838 -8.983 -8.103 1.00 18.07 N ATOM 1016 CA VAL A 755 -3.208 -8.181 -9.254 1.00 18.77 C ATOM 1017 C VAL A 755 -3.238 -9.036 -10.501 1.00 17.81 C ATOM 1018 O VAL A 755 -4.192 -8.953 -11.296 1.00 17.46 O ATOM 1019 CB VAL A 755 -2.207 -7.009 -9.495 1.00 19.53 C ATOM 1020 CG1 VAL A 755 -2.368 -6.395 -10.887 1.00 20.70 C ATOM 1021 CG2 VAL A 755 -2.331 -5.965 -8.396 1.00 21.82 C ATOM 1022 H VAL A 755 -1.974 -8.724 -7.586 1.00 0.00 H ATOM 1023 N LEU A 756 -2.202 -9.867 -10.683 1.00 16.59 N ATOM 1024 CA LEU A 756 -2.158 -10.823 -11.811 1.00 16.72 C ATOM 1025 C LEU A 756 -3.409 -11.734 -11.838 1.00 17.01 C ATOM 1026 O LEU A 756 -4.043 -11.941 -12.905 1.00 16.66 O ATOM 1027 CB LEU A 756 -0.930 -11.732 -11.655 1.00 17.17 C ATOM 1028 CG LEU A 756 -0.742 -12.900 -12.568 1.00 17.76 C ATOM 1029 CD1 LEU A 756 -0.328 -12.341 -13.954 1.00 18.62 C ATOM 1030 CD2 LEU A 756 0.289 -13.918 -12.084 1.00 18.49 C ATOM 1031 H LEU A 756 -1.407 -9.839 -10.013 1.00 0.00 H ATOM 1032 N LEU A 757 -3.729 -12.317 -10.686 1.00 16.54 N ATOM 1033 CA LEU A 757 -4.883 -13.257 -10.634 1.00 18.01 C ATOM 1034 C LEU A 757 -6.229 -12.560 -10.832 1.00 18.50 C ATOM 1035 O LEU A 757 -7.169 -13.137 -11.438 1.00 19.99 O ATOM 1036 CB LEU A 757 -4.871 -14.093 -9.323 1.00 18.31 C ATOM 1037 CG LEU A 757 -3.716 -15.079 -9.195 1.00 20.22 C ATOM 1038 CD1 LEU A 757 -3.978 -15.998 -8.001 1.00 20.97 C ATOM 1039 CD2 LEU A 757 -3.427 -15.866 -10.462 1.00 21.29 C ATOM 1040 H LEU A 757 -3.177 -12.118 -9.827 1.00 0.00 H ATOM 1041 N GLU A 758 -6.355 -11.351 -10.333 1.00 18.91 N ATOM 1042 CA GLU A 758 -7.611 -10.561 -10.551 1.00 20.61 C ATOM 1043 C GLU A 758 -7.845 -10.302 -11.998 1.00 20.24 C ATOM 1044 O GLU A 758 -8.953 -10.463 -12.524 1.00 19.79 O ATOM 1045 CB GLU A 758 -7.551 -9.191 -9.881 1.00 23.64 C ATOM 1046 CG GLU A 758 -7.708 -9.319 -8.399 1.00 26.15 C ATOM 1047 CD GLU A 758 -7.500 -8.024 -7.619 1.00 30.97 C ATOM 1048 OE1 GLU A 758 -7.037 -7.018 -8.193 1.00 32.58 O ATOM 1049 OE2 GLU A 758 -7.797 -8.037 -6.385 1.00 31.41 O ATOM 1050 H GLU A 758 -5.576 -10.938 -9.781 1.00 0.00 H ATOM 1051 N THR A 759 -6.773 -9.928 -12.693 1.00 19.60 N ATOM 1052 CA THR A 759 -6.845 -9.736 -14.126 1.00 20.04 C ATOM 1053 C THR A 759 -7.206 -11.012 -14.888 1.00 20.64 C ATOM 1054 O THR A 759 -8.093 -10.973 -15.796 1.00 21.08 O ATOM 1055 CB THR A 759 -5.498 -9.170 -14.660 1.00 20.89 C ATOM 1056 OG1 THR A 759 -5.129 -8.030 -13.881 1.00 23.82 O ATOM 1057 CG2 THR A 759 -5.594 -8.807 -16.127 1.00 21.04 C ATOM 1058 HG1 THR A 759 -5.026 -8.298 -12.934 1.00 0.00 H ATOM 1059 H THR A 759 -5.871 -9.772 -12.199 1.00 0.00 H ATOM 1060 N ARG A 760 -6.546 -12.134 -14.552 1.00 21.05 N ATOM 1061 CA ARG A 760 -6.835 -13.395 -15.176 1.00 22.42 C ATOM 1062 C ARG A 760 -8.313 -13.843 -14.969 1.00 23.67 C ATOM 1063 O ARG A 760 -8.931 -14.373 -15.883 1.00 23.51 O ATOM 1064 CB ARG A 760 -5.859 -14.472 -14.725 1.00 24.56 C ATOM 1065 CG ARG A 760 -6.147 -15.878 -15.223 1.00 27.03 C ATOM 1066 CD ARG A 760 -6.193 -15.905 -16.742 1.00 29.70 C ATOM 1067 NE ARG A 760 -6.404 -17.242 -17.264 1.00 32.33 N ATOM 1068 CZ ARG A 760 -7.623 -17.753 -17.520 1.00 37.36 C ATOM 1069 NH1 ARG A 760 -8.751 -17.047 -17.308 1.00 36.22 N ATOM 1070 NH2 ARG A 760 -7.721 -18.979 -18.002 1.00 37.83 N ATOM 1071 HE ARG A 760 -5.571 -17.836 -17.450 1.00 0.00 H ATOM 1072 HH12 ARG A 760 -9.677 -17.472 -17.516 1.00 0.00 H ATOM 1073 HH11 ARG A 760 -8.695 -16.077 -16.936 1.00 0.00 H ATOM 1074 HH22 ARG A 760 -8.657 -19.385 -18.204 1.00 0.00 H ATOM 1075 HH21 ARG A 760 -6.862 -19.538 -18.180 1.00 0.00 H ATOM 1076 H ARG A 760 -5.807 -12.088 -13.821 1.00 0.00 H ATOM 1077 N ARG A 761 -8.819 -13.638 -13.760 1.00 23.30 N ATOM 1078 CA ARG A 761 -10.193 -13.995 -13.358 1.00 25.82 C ATOM 1079 C ARG A 761 -11.179 -13.278 -14.302 1.00 28.88 C ATOM 1080 O ARG A 761 -12.158 -13.879 -14.774 1.00 31.12 O ATOM 1081 CB ARG A 761 -10.322 -13.694 -11.810 1.00 25.46 C ATOM 1082 CG ARG A 761 -11.416 -14.244 -10.969 1.00 25.58 C ATOM 1083 CD ARG A 761 -11.228 -13.938 -9.491 1.00 23.06 C ATOM 1084 NE ARG A 761 -10.151 -14.733 -8.856 1.00 20.62 N ATOM 1085 CZ ARG A 761 -9.079 -14.234 -8.232 1.00 19.74 C ATOM 1086 NH1 ARG A 761 -8.926 -12.934 -8.022 1.00 19.32 N ATOM 1087 NH2 ARG A 761 -8.190 -15.049 -7.735 1.00 19.40 N ATOM 1088 HE ARG A 761 -10.236 -15.769 -8.899 1.00 0.00 H ATOM 1089 HH12 ARG A 761 -8.078 -12.583 -7.533 1.00 0.00 H ATOM 1090 HH11 ARG A 761 -9.654 -12.266 -8.346 1.00 0.00 H ATOM 1091 HH22 ARG A 761 -7.353 -14.671 -7.248 1.00 0.00 H ATOM 1092 HH21 ARG A 761 -8.319 -16.077 -7.826 1.00 0.00 H ATOM 1093 H ARG A 761 -8.205 -13.195 -13.047 1.00 0.00 H ATOM 1094 N ASP A 762 -10.905 -12.028 -14.658 1.00 32.72 N ATOM 1095 CA ASP A 762 -11.748 -11.293 -15.627 1.00 36.29 C ATOM 1096 C ASP A 762 -11.676 -11.749 -17.069 1.00 41.67 C ATOM 1097 O ASP A 762 -12.678 -11.717 -17.798 1.00 42.93 O ATOM 1098 CB ASP A 762 -11.410 -9.808 -15.557 1.00 39.25 C ATOM 1099 CG ASP A 762 -12.297 -9.072 -14.619 1.00 46.04 C ATOM 1100 OD1 ASP A 762 -12.934 -9.730 -13.738 1.00 46.16 O ATOM 1101 OD2 ASP A 762 -12.457 -7.847 -14.855 1.00 53.81 O ATOM 1102 H ASP A 762 -10.077 -11.554 -14.245 1.00 0.00 H ATOM 1103 N LEU A 763 -10.478 -12.128 -17.478 1.00 39.33 N ATOM 1104 CA LEU A 763 -10.076 -12.602 -18.828 1.00 43.88 C ATOM 1105 C LEU A 763 -9.374 -11.574 -19.706 1.00 45.32 C ATOM 1106 O LEU A 763 -8.324 -11.094 -19.333 1.00 46.81 O ATOM 1107 CB LEU A 763 -11.181 -13.330 -19.591 1.00 43.78 C ATOM 1108 CG LEU A 763 -11.232 -14.774 -19.140 1.00 43.36 C ATOM 1109 CD1 LEU A 763 -12.025 -14.925 -17.849 1.00 42.99 C ATOM 1110 CD2 LEU A 763 -11.787 -15.589 -20.299 1.00 45.62 C ATOM 1111 H LEU A 763 -9.721 -12.090 -16.766 1.00 0.00 H TER 1112 LEU A 763 HETATM 1113 O HOH 1 9.955 -3.995 -4.919 1.00 31.07 O HETATM 1114 O HOH 2 -7.022 -14.508 -30.997 1.00 36.16 O HETATM 1115 O HOH 3 9.484 -2.426 -7.253 1.00 27.55 O HETATM 1116 O HOH 4 15.792 -8.741 0.271 1.00 34.15 O HETATM 1117 O HOH 5 15.976 -5.575 -10.707 1.00 17.59 O HETATM 1118 O HOH 6 -2.972 -2.562 -12.802 1.00 30.39 O HETATM 1119 O HOH 7 8.344 -17.473 2.878 1.00 29.51 O HETATM 1120 O HOH 8 15.314 -10.107 -19.621 1.00 38.52 O HETATM 1121 O HOH 9 -8.760 -7.965 -33.721 1.00 44.18 O HETATM 1122 O HOH 10 3.379 -2.416 -10.704 1.00 17.04 O HETATM 1123 O HOH 11 12.409 -14.269 -10.826 1.00 15.92 O HETATM 1124 O HOH 12 11.988 -16.843 1.715 1.00 37.31 O HETATM 1125 O HOH 13 20.319 -19.508 -11.532 1.00 29.96 O HETATM 1126 O HOH 14 7.535 -0.389 -14.140 1.00 28.68 O HETATM 1127 O HOH 15 7.867 -3.147 -19.962 1.00 40.42 O HETATM 1128 O HOH 16 25.731 -12.483 0.749 1.00 36.01 O HETATM 1129 O HOH 17 -0.453 -13.062 -3.430 1.00 28.91 O HETATM 1130 O HOH 18 19.179 -9.249 -2.366 1.00 32.67 O HETATM 1131 O HOH 19 13.973 -17.639 6.725 1.00 18.31 O HETATM 1132 O HOH 20 12.979 -21.204 -10.193 1.00 22.25 O HETATM 1133 O HOH 21 -9.799 -8.882 -23.585 1.00 41.77 O HETATM 1134 O HOH 22 -1.149 -18.567 -8.692 1.00 29.48 O HETATM 1135 O HOH 23 16.812 -8.695 -3.191 1.00 21.68 O HETATM 1136 O HOH 24 3.529 -3.731 -1.166 1.00 30.78 O HETATM 1137 O HOH 25 14.293 -2.539 -17.984 1.00 30.80 O HETATM 1138 O HOH 26 -4.462 -4.120 -18.487 1.00 32.15 O HETATM 1139 O HOH 27 14.177 -3.392 -13.135 1.00 21.63 O HETATM 1140 O HOH 28 -11.064 -11.086 -7.612 1.00 23.25 O HETATM 1141 O HOH 29 27.020 -2.715 -10.418 1.00 38.75 O HETATM 1142 O HOH 30 7.730 3.809 -8.358 1.00 26.68 O HETATM 1143 O HOH 31 13.213 -4.399 2.265 1.00 38.38 O HETATM 1144 O HOH 32 15.366 -10.458 2.318 1.00 26.98 O HETATM 1145 O HOH 33 -2.863 1.116 -10.519 1.00 32.80 O HETATM 1146 O HOH 34 13.288 -5.499 -0.742 1.00 30.06 O HETATM 1147 O HOH 35 9.109 0.215 -6.238 1.00 29.06 O HETATM 1148 O HOH 36 9.859 -20.603 -7.875 1.00 39.60 O HETATM 1149 O HOH 37 2.515 -19.600 -4.342 1.00 41.04 O HETATM 1150 O HOH 38 -2.093 0.779 -1.913 1.00 35.34 O HETATM 1151 O HOH 39 29.167 -6.179 -9.648 1.00 48.94 O HETATM 1152 O HOH 40 -4.423 -4.766 -5.146 1.00 45.49 O HETATM 1153 O HOH 41 14.201 -22.510 -7.566 1.00 37.61 O HETATM 1154 O HOH 42 9.735 -16.783 -21.175 1.00 50.34 O HETATM 1155 O HOH 43 1.819 -20.135 -6.694 1.00 36.06 O HETATM 1156 O HOH 44 11.026 -2.821 -3.399 1.00 38.21 O HETATM 1157 O HOH 45 10.963 0.005 -3.841 1.00 41.24 O HETATM 1158 O HOH 46 20.268 -22.940 -8.899 1.00 47.15 O HETATM 1159 O HOH 47 -15.212 -5.522 -15.700 1.00 37.72 O HETATM 1160 O HOH 48 10.081 0.766 -18.983 1.00 44.89 O HETATM 1161 O HOH 49 -2.118 -18.714 -5.175 1.00 38.48 O HETATM 1162 O HOH 50 16.393 -13.539 -17.510 1.00 55.64 O HETATM 1163 O HOH 51 11.879 1.290 -14.120 1.00 48.92 O HETATM 1164 O HOH 52 15.758 -6.211 -2.206 1.00 52.91 O HETATM 1165 O HOH 53 19.813 -15.462 1.024 1.00 36.82 O HETATM 1166 O HOH 54 8.959 1.829 -13.538 1.00 32.96 O HETATM 1167 CAG UNN A 55 14.850 -9.544 -7.727 1.00 0.05 C HETATM 1168 CAD UNN A 55 14.290 -9.595 -9.009 1.00 -0.02 C HETATM 1169 CAC UNN A 55 14.533 -8.622 -9.992 1.00 -0.06 C HETATM 1170 CAB UNN A 55 13.936 -8.657 -11.267 1.00 -0.07 C HETATM 1171 CAA UNN A 55 13.049 -9.678 -11.562 1.00 -0.06 C HETATM 1172 CAF UNN A 55 12.771 -10.658 -10.601 1.00 -0.05 C HETATM 1173 CAE UNN A 55 13.390 -10.634 -9.330 1.00 0.06 C HETATM 1174 CAJ UNN A 55 13.111 -11.647 -8.391 1.00 0.28 C HETATM 1175 OAK UNN A 55 12.356 -12.601 -8.607 1.00 -0.36 O HETATM 1176 OAI UNN A 55 13.678 -11.582 -7.145 1.00 -0.17 O HETATM 1177 CAH UNN A 55 14.530 -10.504 -6.830 1.00 0.26 C HETATM 1178 NAN UNN A 55 15.196 -10.288 -5.685 1.00 -0.19 N HETATM 1179 NAM UNN A 55 15.856 -9.261 -5.805 1.00 -0.24 N HETATM 1180 CAL UNN A 55 15.714 -8.768 -7.027 1.00 0.01 C HETATM 1181 CAO UNN A 55 16.406 -7.492 -7.460 1.00 -0.02 C HETATM 1182 CAP UNN A 55 17.224 -7.009 -6.275 1.00 -0.05 C HETATM 1183 CAQ UNN A 55 17.950 -5.688 -6.629 1.00 -0.06 C HETATM 1184 H10 UNN A 55 18.538 -5.349 -5.763 1.00 0.02 H HETATM 1185 H11 UNN A 55 17.207 -4.920 -6.891 1.00 0.02 H HETATM 1186 H12 UNN A 55 18.620 -5.856 -7.485 1.00 0.02 H HETATM 1187 H8 UNN A 55 17.969 -7.774 -6.012 1.00 0.03 H HETATM 1188 H9 UNN A 55 16.556 -6.838 -5.418 1.00 0.03 H HETATM 1189 H6 UNN A 55 15.660 -6.733 -7.739 1.00 0.04 H HETATM 1190 H7 UNN A 55 17.065 -7.691 -8.318 1.00 0.04 H HETATM 1191 H5 UNN A 55 15.159 -10.885 -4.846 1.00 0.25 H HETATM 1192 H4 UNN A 55 12.068 -11.449 -10.836 1.00 0.06 H HETATM 1193 H3 UNN A 55 12.571 -9.719 -12.534 1.00 0.06 H HETATM 1194 H2 UNN A 55 14.167 -7.897 -12.005 1.00 0.06 H HETATM 1195 H1 UNN A 55 15.210 -7.808 -9.759 1.00 0.06 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1167 1168 1177 1180 CONECT 1168 1167 1169 1173 CONECT 1169 1168 1170 1195 CONECT 1170 1169 1171 1194 CONECT 1171 1170 1172 1193 CONECT 1172 1171 1173 1192 CONECT 1173 1168 1172 1174 CONECT 1174 1173 1175 1176 CONECT 1175 1174 CONECT 1176 1174 1177 CONECT 1177 1167 1176 1178 CONECT 1178 1177 1179 1191 CONECT 1179 1178 1180 CONECT 1180 1167 1179 1181 CONECT 1181 1180 1182 1189 1190 CONECT 1182 1181 1183 1187 1188 CONECT 1183 1182 1184 1185 1186 CONECT 1184 1183 CONECT 1185 1183 CONECT 1186 1183 CONECT 1187 1182 CONECT 1188 1182 CONECT 1189 1181 CONECT 1190 1181 CONECT 1191 1178 CONECT 1192 1172 CONECT 1193 1171 CONECT 1194 1170 CONECT 1195 1169 MASTER 0 0 0 0 0 0 0 0 1194 1 33 9 END
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Related entries of code: 5hrw
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
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RCSB PDB
PDBbind
124aa, >5FH6_1|Chains... *
5fh7
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PDBbind
124aa, >5FH7_1|Chains... at 100%
5fh8
RCSB PDB
PDBbind
124aa, >5FH8_1|Chains... at 100%
5hrv
RCSB PDB
PDBbind
124aa, >5HRV_1|Chain... 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
5hrw
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
fifth bromodomain of human PB1
Ligand Name
64E
EC.Number
E.C.-.-.-.-
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Kd=3.3uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J.Med.Chem. Vol. 59: pp. 8787-8803
Ligand Properties
Formula
C
1
3
H
1
2
N
2
O
2
Molecular Weight
228.247
Exact Mass
228.090
No. of atoms
29
No. of bonds
31
Polar Surface Area
58.89
LOGP Value
2.85 (
Computed with XLOGP3
)
2.62 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 3
Canonical SMILES
CCCc1n[nH]c2c1c1ccccc1c(=O)o2
InChI String
InChI=1S/C13H12N2O2/c1-2-5-10-11-8-6-3-4-7-9(8)13(16)17-12(11)15-14-10/h3-4,6-7H,2,5H2,1H3,(H,14,15)
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
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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