Browse entries in the PDBbind-CN Database
HEADER 4ODP_COMPLEX COMPND 4ODP_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 62 MET LYS VAL GLY GLN ASP LYS VAL VAL THR ILE ARG TYR SEQRES 2 A 62 THR LEU GLN VAL GLU GLY GLU VAL LEU ASP GLN GLY GLU SEQRES 3 A 62 LEU SER TYR LEU HIS GLY HIS ARG ASN LEU ILE PRO GLY SEQRES 4 A 62 LEU GLU GLU ALA LEU GLU GLY ARG GLU GLU GLY GLU ALA SEQRES 5 A 62 PHE GLN ALA HIS VAL PRO ALA GLU LYS ALA SEQRES 1 A 39 ILE PRO PRO HIS ALA THR LEU ASP PHE GLN VAL GLU VAL SEQRES 2 A 39 VAL LYS VAL ARG GLU ALA THR PRO GLU GLU LEU LEU HIS SEQRES 3 A 39 GLY HIS ALA HIS PRO SER GLY HIS HIS HIS HIS HIS HIS HET CA A 1 1 HET CA A 2 1 HET CA A 3 1 HET CA A 4 1 HET NI A 5 1 HET MET A 208 95 ATOM 1 N MET A 1 24.719 68.173 26.948 1.00 39.36 N ATOM 2 CA MET A 1 24.696 67.519 28.248 1.00 42.94 C ATOM 3 C MET A 1 25.912 67.963 29.065 1.00 37.47 C ATOM 4 O MET A 1 26.984 68.192 28.506 1.00 40.56 O ATOM 5 CB MET A 1 24.670 66.001 28.047 1.00 39.16 C ATOM 6 CG MET A 1 24.314 65.203 29.258 1.00 43.95 C ATOM 7 SD MET A 1 23.928 63.508 28.730 1.00 35.52 S ATOM 8 CE MET A 1 22.195 63.613 28.414 1.00 30.49 C ATOM 9 HN3 MET A 1 25.590 67.910 26.444 1.00 0.00 H ATOM 10 HN2 MET A 1 24.691 69.204 27.080 1.00 0.00 H ATOM 11 HN1 MET A 1 23.892 67.870 26.394 1.00 0.00 H ATOM 12 N LYS A 2 25.728 68.150 30.369 1.00 31.66 N ATOM 13 CA LYS A 2 26.810 68.596 31.255 1.00 33.82 C ATOM 14 C LYS A 2 27.522 67.421 31.912 1.00 25.69 C ATOM 15 O LYS A 2 26.891 66.411 32.250 1.00 29.69 O ATOM 16 CB LYS A 2 26.265 69.473 32.391 1.00 44.56 C ATOM 17 CG LYS A 2 25.782 70.838 31.974 1.00 58.32 C ATOM 18 CD LYS A 2 25.070 71.548 33.118 1.00 60.45 C ATOM 19 CE LYS A 2 25.948 71.651 34.360 1.00 92.84 C ATOM 20 NZ LYS A 2 25.298 72.443 35.451 1.00 76.51 N ATOM 21 HZ1 LYS A 2 25.106 73.407 35.111 1.00 0.00 H ATOM 22 HZ2 LYS A 2 24.405 71.986 35.724 1.00 0.00 H ATOM 23 HZ3 LYS A 2 25.933 72.485 36.273 1.00 0.00 H ATOM 24 H LYS A 2 24.786 67.974 30.774 1.00 0.00 H ATOM 25 N VAL A 3 28.823 67.573 32.137 1.00 26.90 N ATOM 26 CA VAL A 3 29.589 66.559 32.866 1.00 28.14 C ATOM 27 C VAL A 3 29.066 66.382 34.296 1.00 30.94 C ATOM 28 O VAL A 3 28.856 67.357 35.015 1.00 31.59 O ATOM 29 CB VAL A 3 31.083 66.941 32.939 1.00 24.62 C ATOM 30 CG1 VAL A 3 31.862 65.946 33.800 1.00 24.61 C ATOM 31 CG2 VAL A 3 31.684 67.063 31.541 1.00 24.53 C ATOM 32 H VAL A 3 29.306 68.426 31.790 1.00 0.00 H ATOM 33 N GLY A 4 28.863 65.138 34.713 1.00 27.75 N ATOM 34 CA GLY A 4 28.375 64.881 36.060 1.00 29.52 C ATOM 35 C GLY A 4 28.494 63.412 36.386 1.00 38.61 C ATOM 36 O GLY A 4 28.952 62.638 35.554 1.00 26.17 O ATOM 37 H GLY A 4 29.054 64.341 34.072 1.00 0.00 H ATOM 38 N GLN A 5 28.083 63.028 37.593 1.00 27.87 N ATOM 39 CA GLN A 5 28.163 61.634 38.011 1.00 28.28 C ATOM 40 C GLN A 5 27.517 60.705 36.980 1.00 27.19 C ATOM 41 O GLN A 5 26.409 60.974 36.503 1.00 30.77 O ATOM 42 CB GLN A 5 27.456 61.478 39.373 1.00 31.15 C ATOM 43 CG GLN A 5 27.461 60.059 39.937 1.00 33.59 C ATOM 44 CD GLN A 5 28.771 59.697 40.590 1.00 40.85 C ATOM 45 OE1 GLN A 5 29.419 60.532 41.221 1.00 35.33 O ATOM 46 NE2 GLN A 5 29.176 58.445 40.437 1.00 38.60 N ATOM 47 HE22 GLN A 5 28.596 57.773 39.895 1.00 0.00 H ATOM 48 HE21 GLN A 5 30.074 58.134 40.859 1.00 0.00 H ATOM 49 H GLN A 5 27.698 63.736 38.250 1.00 0.00 H ATOM 50 N ASP A 6 28.232 59.629 36.642 1.00 27.71 N ATOM 51 CA ASP A 6 27.750 58.536 35.797 1.00 23.73 C ATOM 52 C ASP A 6 27.609 58.904 34.327 1.00 27.00 C ATOM 53 O ASP A 6 26.912 58.214 33.585 1.00 26.98 O ATOM 54 CB ASP A 6 26.398 57.948 36.277 1.00 27.47 C ATOM 55 CG ASP A 6 26.512 57.189 37.587 1.00 38.04 C ATOM 56 OD1 ASP A 6 27.637 57.043 38.099 1.00 34.50 O ATOM 57 OD2 ASP A 6 25.466 56.703 38.082 1.00 34.13 O ATOM 58 H ASP A 6 29.204 59.563 37.006 1.00 0.00 H ATOM 59 N LYS A 7 28.226 60.005 33.913 1.00 24.44 N ATOM 60 CA LYS A 7 28.278 60.343 32.475 1.00 20.90 C ATOM 61 C LYS A 7 29.603 59.815 31.934 1.00 23.01 C ATOM 62 O LYS A 7 30.599 59.822 32.654 1.00 21.81 O ATOM 63 CB LYS A 7 28.261 61.863 32.302 1.00 25.88 C ATOM 64 CG LYS A 7 27.012 62.565 32.843 1.00 36.03 C ATOM 65 CD LYS A 7 25.807 62.288 31.990 1.00 38.20 C ATOM 66 CE LYS A 7 24.691 63.307 32.253 1.00 34.54 C ATOM 67 NZ LYS A 7 24.241 63.272 33.656 1.00 48.31 N ATOM 68 HZ1 LYS A 7 23.878 62.323 33.879 1.00 0.00 H ATOM 69 HZ2 LYS A 7 25.042 63.494 34.281 1.00 0.00 H ATOM 70 HZ3 LYS A 7 23.487 63.974 33.794 1.00 0.00 H ATOM 71 H LYS A 7 28.677 60.635 34.607 1.00 0.00 H ATOM 72 N VAL A 8 29.620 59.362 30.683 1.00 22.32 N ATOM 73 CA VAL A 8 30.863 59.013 30.026 1.00 22.06 C ATOM 74 C VAL A 8 31.244 60.240 29.220 1.00 19.55 C ATOM 75 O VAL A 8 30.456 60.715 28.389 1.00 22.79 O ATOM 76 CB VAL A 8 30.697 57.829 29.091 1.00 22.01 C ATOM 77 CG1 VAL A 8 31.954 57.642 28.239 1.00 23.74 C ATOM 78 CG2 VAL A 8 30.424 56.586 29.916 1.00 26.23 C ATOM 79 H VAL A 8 28.723 59.256 30.167 1.00 0.00 H ATOM 80 N VAL A 9 32.431 60.738 29.494 1.00 18.58 N ATOM 81 CA VAL A 9 32.887 62.024 28.963 1.00 20.12 C ATOM 82 C VAL A 9 34.111 61.801 28.089 1.00 21.02 C ATOM 83 O VAL A 9 35.049 61.112 28.478 1.00 21.35 O ATOM 84 CB VAL A 9 33.254 62.951 30.133 1.00 22.29 C ATOM 85 CG1 VAL A 9 33.710 64.341 29.632 1.00 22.49 C ATOM 86 CG2 VAL A 9 32.072 63.082 31.078 1.00 23.55 C ATOM 87 H VAL A 9 33.070 60.197 30.111 1.00 0.00 H ATOM 88 N THR A 10 34.107 62.383 26.895 1.00 18.87 N ATOM 89 CA THR A 10 35.283 62.319 26.043 1.00 21.29 C ATOM 90 C THR A 10 35.954 63.677 26.063 1.00 20.19 C ATOM 91 O THR A 10 35.284 64.682 25.851 1.00 21.68 O ATOM 92 CB THR A 10 34.865 61.998 24.603 1.00 23.47 C ATOM 93 OG1 THR A 10 34.182 60.736 24.594 1.00 27.23 O ATOM 94 CG2 THR A 10 36.085 61.899 23.701 1.00 23.91 C ATOM 95 HG1 THR A 10 33.907 60.518 23.668 1.00 0.00 H ATOM 96 H THR A 10 33.258 62.887 26.568 1.00 0.00 H ATOM 97 N ILE A 11 37.259 63.709 26.348 1.00 19.73 N ATOM 98 CA ILE A 11 37.993 64.975 26.371 1.00 18.32 C ATOM 99 C ILE A 11 39.201 64.916 25.454 1.00 26.82 C ATOM 100 O ILE A 11 39.779 63.848 25.226 1.00 24.71 O ATOM 101 CB ILE A 11 38.512 65.332 27.776 1.00 20.87 C ATOM 102 CG1 ILE A 11 39.440 64.238 28.297 1.00 23.02 C ATOM 103 CG2 ILE A 11 37.340 65.470 28.765 1.00 26.78 C ATOM 104 CD1 ILE A 11 40.094 64.583 29.643 1.00 27.91 C ATOM 105 H ILE A 11 37.760 62.822 26.556 1.00 0.00 H ATOM 106 N ARG A 12 39.573 66.080 24.929 1.00 22.44 N ATOM 107 CA ARG A 12 40.817 66.229 24.198 1.00 24.56 C ATOM 108 C ARG A 12 41.679 67.142 25.065 1.00 26.82 C ATOM 109 O ARG A 12 41.213 68.181 25.549 1.00 30.18 O ATOM 110 CB ARG A 12 40.518 66.884 22.850 1.00 29.99 C ATOM 111 CG ARG A 12 41.644 66.919 21.845 1.00 47.16 C ATOM 112 CD ARG A 12 41.088 67.373 20.481 1.00 46.78 C ATOM 113 NE ARG A 12 39.995 66.507 20.022 1.00 83.25 N ATOM 114 CZ ARG A 12 39.031 66.878 19.178 1.00 92.76 C ATOM 115 NH1 ARG A 12 39.002 68.112 18.688 1.00 96.50 N ATOM 116 NH2 ARG A 12 38.086 66.012 18.830 1.00 58.59 N ATOM 117 HE ARG A 12 39.970 65.532 20.382 1.00 0.00 H ATOM 118 HH12 ARG A 12 38.247 68.393 18.030 1.00 0.00 H ATOM 119 HH11 ARG A 12 39.735 68.798 18.962 1.00 0.00 H ATOM 120 HH22 ARG A 12 37.334 66.300 18.172 1.00 0.00 H ATOM 121 HH21 ARG A 12 38.098 65.046 19.215 1.00 0.00 H ATOM 122 H ARG A 12 38.954 66.907 25.046 1.00 0.00 H ATOM 123 N TYR A 13 42.925 66.760 25.311 1.00 24.95 N ATOM 124 CA TYR A 13 43.711 67.546 26.248 1.00 23.15 C ATOM 125 C TYR A 13 45.176 67.640 25.847 1.00 29.12 C ATOM 126 O TYR A 13 45.692 66.824 25.075 1.00 31.34 O ATOM 127 CB TYR A 13 43.638 66.938 27.661 1.00 25.18 C ATOM 128 CG TYR A 13 44.319 65.587 27.693 1.00 30.24 C ATOM 129 CD1 TYR A 13 43.656 64.445 27.240 1.00 30.64 C ATOM 130 CD2 TYR A 13 45.640 65.460 28.102 1.00 35.78 C ATOM 131 CE1 TYR A 13 44.272 63.233 27.218 1.00 30.00 C ATOM 132 CE2 TYR A 13 46.270 64.239 28.083 1.00 37.13 C ATOM 133 CZ TYR A 13 45.584 63.128 27.648 1.00 39.51 C ATOM 134 OH TYR A 13 46.213 61.913 27.631 1.00 39.88 O ATOM 135 HH TYR A 13 47.004 61.960 27.037 1.00 0.00 H ATOM 136 H TYR A 13 43.329 65.922 24.847 1.00 0.00 H ATOM 137 N THR A 14 45.825 68.659 26.391 1.00 27.65 N ATOM 138 CA THR A 14 47.281 68.778 26.381 1.00 25.50 C ATOM 139 C THR A 14 47.722 68.940 27.839 1.00 28.77 C ATOM 140 O THR A 14 47.136 69.744 28.576 1.00 34.84 O ATOM 141 CB THR A 14 47.725 69.992 25.541 1.00 26.74 C ATOM 142 OG1 THR A 14 47.340 69.789 24.173 1.00 22.66 O ATOM 143 CG2 THR A 14 49.246 70.190 25.616 1.00 33.82 C ATOM 144 HG1 THR A 14 47.625 70.568 23.632 1.00 0.00 H ATOM 145 H THR A 14 45.271 69.411 26.848 1.00 0.00 H ATOM 146 N LEU A 15 48.732 68.192 28.263 1.00 28.62 N ATOM 147 CA LEU A 15 49.217 68.307 29.628 1.00 27.54 C ATOM 148 C LEU A 15 50.612 68.905 29.611 1.00 29.17 C ATOM 149 O LEU A 15 51.505 68.333 28.981 1.00 31.78 O ATOM 150 CB LEU A 15 49.287 66.920 30.286 1.00 30.18 C ATOM 151 CG LEU A 15 50.097 66.858 31.587 1.00 36.44 C ATOM 152 CD1 LEU A 15 49.555 67.814 32.642 1.00 30.45 C ATOM 153 CD2 LEU A 15 50.103 65.440 32.124 1.00 42.57 C ATOM 154 H LEU A 15 49.181 67.517 27.612 1.00 0.00 H ATOM 155 N GLN A 16 50.786 70.050 30.285 1.00 27.61 N ATOM 156 CA GLN A 16 52.112 70.639 30.493 1.00 31.51 C ATOM 157 C GLN A 16 52.567 70.530 31.938 1.00 34.16 C ATOM 158 O GLN A 16 51.777 70.683 32.857 1.00 33.49 O ATOM 159 CB GLN A 16 52.117 72.126 30.140 1.00 35.84 C ATOM 160 CG GLN A 16 51.982 72.410 28.696 1.00 38.25 C ATOM 161 CD GLN A 16 52.253 73.861 28.385 1.00 40.46 C ATOM 162 OE1 GLN A 16 52.553 74.195 27.260 1.00 51.26 O ATOM 163 NE2 GLN A 16 52.135 74.731 29.385 1.00 44.34 N ATOM 164 HE22 GLN A 16 51.875 74.399 30.336 1.00 0.00 H ATOM 165 HE21 GLN A 16 52.303 75.743 29.216 1.00 0.00 H ATOM 166 H GLN A 16 49.953 70.537 30.673 1.00 0.00 H ATOM 167 N VAL A 17 53.854 70.289 32.135 1.00 33.33 N ATOM 168 CA VAL A 17 54.423 70.419 33.468 1.00 31.75 C ATOM 169 C VAL A 17 55.664 71.275 33.324 1.00 39.87 C ATOM 170 O VAL A 17 56.534 70.994 32.487 1.00 34.86 O ATOM 171 CB VAL A 17 54.776 69.064 34.108 1.00 39.32 C ATOM 172 CG1 VAL A 17 55.446 69.294 35.450 1.00 44.47 C ATOM 173 CG2 VAL A 17 53.521 68.230 34.302 1.00 47.78 C ATOM 174 H VAL A 17 54.458 70.007 31.337 1.00 0.00 H ATOM 175 N GLU A 18 55.725 72.336 34.130 1.00 33.06 N ATOM 176 CA GLU A 18 56.788 73.328 34.053 1.00 34.62 C ATOM 177 C GLU A 18 57.009 73.811 32.622 1.00 31.72 C ATOM 178 O GLU A 18 58.145 73.984 32.163 1.00 35.57 O ATOM 179 CB GLU A 18 58.075 72.810 34.717 1.00 39.53 C ATOM 180 CG GLU A 18 57.909 72.621 36.231 1.00 69.51 C ATOM 181 CD GLU A 18 59.140 72.046 36.914 1.00 99.15 C ATOM 182 OE1 GLU A 18 60.097 71.661 36.210 1.00 99.49 O ATOM 183 OE2 GLU A 18 59.148 71.976 38.162 1.00102.39 O ATOM 184 H GLU A 18 54.980 72.460 34.845 1.00 0.00 H ATOM 185 N GLY A 19 55.890 74.019 31.929 1.00 33.88 N ATOM 186 CA GLY A 19 55.901 74.628 30.618 1.00 41.17 C ATOM 187 C GLY A 19 56.163 73.708 29.446 1.00 43.80 C ATOM 188 O GLY A 19 56.158 74.165 28.305 1.00 37.39 O ATOM 189 H GLY A 19 54.980 73.734 32.344 1.00 0.00 H ATOM 190 N GLU A 20 56.406 72.428 29.724 1.00 32.15 N ATOM 191 CA GLU A 20 56.739 71.459 28.673 1.00 34.17 C ATOM 192 C GLU A 20 55.577 70.487 28.473 1.00 32.46 C ATOM 193 O GLU A 20 55.022 69.979 29.432 1.00 31.15 O ATOM 194 CB GLU A 20 57.992 70.668 29.041 1.00 35.56 C ATOM 195 CG GLU A 20 59.274 71.491 29.009 1.00 49.06 C ATOM 196 CD GLU A 20 59.431 72.243 27.697 1.00103.16 C ATOM 197 OE1 GLU A 20 59.306 71.609 26.627 1.00 93.11 O ATOM 198 OE2 GLU A 20 59.660 73.472 27.732 1.00 86.68 O ATOM 199 H GLU A 20 56.358 72.107 30.712 1.00 0.00 H ATOM 200 N VAL A 21 55.219 70.233 27.224 1.00 34.92 N ATOM 201 CA VAL A 21 54.155 69.280 26.951 1.00 35.96 C ATOM 202 C VAL A 21 54.659 67.880 27.291 1.00 34.61 C ATOM 203 O VAL A 21 55.700 67.449 26.782 1.00 38.25 O ATOM 204 CB VAL A 21 53.721 69.336 25.491 1.00 37.44 C ATOM 205 CG1 VAL A 21 52.768 68.192 25.196 1.00 38.32 C ATOM 206 CG2 VAL A 21 53.067 70.667 25.183 1.00 41.70 C ATOM 207 H VAL A 21 55.699 70.715 26.438 1.00 0.00 H ATOM 208 N LEU A 22 53.934 67.182 28.160 1.00 33.04 N ATOM 209 CA LEU A 22 54.288 65.812 28.526 1.00 37.12 C ATOM 210 C LEU A 22 53.380 64.794 27.868 1.00 41.57 C ATOM 211 O LEU A 22 53.782 63.657 27.648 1.00 37.36 O ATOM 212 CB LEU A 22 54.225 65.614 30.037 1.00 34.95 C ATOM 213 CG LEU A 22 55.242 66.443 30.828 1.00 42.28 C ATOM 214 CD1 LEU A 22 55.346 65.916 32.260 1.00 57.06 C ATOM 215 CD2 LEU A 22 56.605 66.482 30.137 1.00 67.77 C ATOM 216 H LEU A 22 53.095 67.621 28.590 1.00 0.00 H ATOM 217 N ASP A 23 52.145 65.187 27.579 1.00 35.04 N ATOM 218 CA ASP A 23 51.188 64.251 26.989 1.00 33.00 C ATOM 219 C ASP A 23 50.102 65.033 26.281 1.00 48.26 C ATOM 220 O ASP A 23 49.786 66.157 26.665 1.00 34.64 O ATOM 221 CB ASP A 23 50.559 63.391 28.073 1.00 32.91 C ATOM 222 CG ASP A 23 49.775 62.219 27.505 1.00 74.59 C ATOM 223 OD1 ASP A 23 50.072 61.770 26.373 1.00 45.91 O ATOM 224 OD2 ASP A 23 48.853 61.747 28.197 1.00 43.80 O ATOM 225 H ASP A 23 51.856 66.167 27.773 1.00 0.00 H ATOM 226 N GLN A 24 49.534 64.451 25.237 1.00 33.23 N ATOM 227 CA GLN A 24 48.392 65.086 24.586 1.00 27.33 C ATOM 228 C GLN A 24 47.592 64.010 23.903 1.00 34.89 C ATOM 229 O GLN A 24 48.134 62.977 23.514 1.00 31.45 O ATOM 230 CB GLN A 24 48.827 66.170 23.590 1.00 32.53 C ATOM 231 CG GLN A 24 49.499 65.651 22.338 1.00 70.54 C ATOM 232 CD GLN A 24 49.934 66.777 21.419 1.00 87.68 C ATOM 233 OE1 GLN A 24 49.873 67.952 21.787 1.00 72.29 O ATOM 234 NE2 GLN A 24 50.371 66.425 20.215 1.00 83.36 N ATOM 235 HE22 GLN A 24 50.405 65.421 19.947 1.00 0.00 H ATOM 236 HE21 GLN A 24 50.679 67.154 19.540 1.00 0.00 H ATOM 237 H GLN A 24 49.900 63.545 24.882 1.00 0.00 H ATOM 238 N GLY A 25 46.291 64.221 23.789 1.00 27.09 N ATOM 239 CA GLY A 25 45.486 63.209 23.144 1.00 37.02 C ATOM 240 C GLY A 25 44.026 63.334 23.482 1.00 29.13 C ATOM 241 O GLY A 25 43.567 64.386 23.861 1.00 30.40 O ATOM 242 H GLY A 25 45.858 65.093 24.154 1.00 0.00 H ATOM 243 N GLU A 26 43.309 62.238 23.296 1.00 28.35 N ATOM 244 CA GLU A 26 41.871 62.206 23.518 1.00 27.51 C ATOM 245 C GLU A 26 41.570 60.944 24.305 1.00 33.35 C ATOM 246 O GLU A 26 42.149 59.900 24.039 1.00 40.62 O ATOM 247 CB GLU A 26 41.157 62.191 22.163 1.00 35.44 C ATOM 248 CG GLU A 26 39.647 62.086 22.241 1.00 41.95 C ATOM 249 CD GLU A 26 38.965 62.553 20.968 1.00 64.14 C ATOM 250 OE1 GLU A 26 39.126 63.740 20.599 1.00 70.82 O ATOM 251 OE2 GLU A 26 38.272 61.732 20.336 1.00 52.52 O ATOM 252 H GLU A 26 43.789 61.371 22.981 1.00 0.00 H ATOM 253 N LEU A 27 40.687 61.028 25.293 1.00 25.56 N ATOM 254 CA LEU A 27 40.310 59.829 26.035 1.00 24.49 C ATOM 255 C LEU A 27 38.861 59.945 26.453 1.00 26.11 C ATOM 256 O LEU A 27 38.308 61.037 26.465 1.00 24.63 O ATOM 257 CB LEU A 27 41.191 59.629 27.277 1.00 28.84 C ATOM 258 CG LEU A 27 41.205 60.679 28.408 1.00 31.59 C ATOM 259 CD1 LEU A 27 40.012 60.559 29.364 1.00 29.29 C ATOM 260 CD2 LEU A 27 42.488 60.615 29.209 1.00 36.28 C ATOM 261 H LEU A 27 40.265 61.946 25.538 1.00 0.00 H ATOM 262 N SER A 28 38.266 58.815 26.825 1.00 23.12 N ATOM 263 CA SER A 28 36.904 58.819 27.376 1.00 23.47 C ATOM 264 C SER A 28 36.948 58.168 28.743 1.00 28.84 C ATOM 265 O SER A 28 37.666 57.191 28.945 1.00 28.02 O ATOM 266 CB SER A 28 35.923 58.064 26.481 1.00 26.00 C ATOM 267 OG SER A 28 35.767 58.713 25.213 1.00 28.78 O ATOM 268 HG SER A 28 36.644 58.754 24.755 1.00 0.00 H ATOM 269 H SER A 28 38.774 57.913 26.724 1.00 0.00 H ATOM 270 N TYR A 29 36.209 58.725 29.692 1.00 22.99 N ATOM 271 CA TYR A 29 36.202 58.134 31.034 1.00 20.56 C ATOM 272 C TYR A 29 34.790 58.209 31.618 1.00 23.01 C ATOM 273 O TYR A 29 33.962 59.031 31.213 1.00 20.77 O ATOM 274 CB TYR A 29 37.229 58.825 31.965 1.00 22.85 C ATOM 275 CG TYR A 29 36.732 60.178 32.401 1.00 20.92 C ATOM 276 CD1 TYR A 29 36.813 61.281 31.537 1.00 21.04 C ATOM 277 CD2 TYR A 29 36.148 60.357 33.648 1.00 24.11 C ATOM 278 CE1 TYR A 29 36.298 62.509 31.911 1.00 19.72 C ATOM 279 CE2 TYR A 29 35.668 61.592 34.042 1.00 25.94 C ATOM 280 CZ TYR A 29 35.739 62.658 33.168 1.00 23.34 C ATOM 281 OH TYR A 29 35.213 63.877 33.536 1.00 25.68 O ATOM 282 HH TYR A 29 34.245 63.776 33.718 1.00 0.00 H ATOM 283 H TYR A 29 35.641 59.572 29.487 1.00 0.00 H ATOM 284 N LEU A 30 34.498 57.314 32.557 1.00 21.98 N ATOM 285 CA LEU A 30 33.237 57.360 33.287 1.00 21.04 C ATOM 286 C LEU A 30 33.416 58.241 34.513 1.00 24.15 C ATOM 287 O LEU A 30 34.232 57.931 35.406 1.00 24.30 O ATOM 288 CB LEU A 30 32.826 55.952 33.731 1.00 21.97 C ATOM 289 CG LEU A 30 31.543 55.837 34.578 1.00 23.64 C ATOM 290 CD1 LEU A 30 30.318 56.238 33.757 1.00 25.00 C ATOM 291 CD2 LEU A 30 31.402 54.400 35.089 1.00 25.30 C ATOM 292 H LEU A 30 35.185 56.564 32.776 1.00 0.00 H ATOM 293 N HIS A 31 32.644 59.323 34.568 1.00 20.37 N ATOM 294 CA HIS A 31 32.796 60.342 35.612 1.00 21.24 C ATOM 295 C HIS A 31 32.173 59.900 36.937 1.00 27.87 C ATOM 296 O HIS A 31 31.071 59.344 36.959 1.00 28.83 O ATOM 297 CB HIS A 31 32.157 61.649 35.130 1.00 24.61 C ATOM 298 CG HIS A 31 32.446 62.842 35.997 1.00 24.51 C ATOM 299 ND1 HIS A 31 33.461 63.739 35.723 1.00 27.03 N ATOM 300 CD2 HIS A 31 31.831 63.299 37.114 1.00 29.05 C ATOM 301 CE1 HIS A 31 33.448 64.704 36.629 1.00 29.31 C ATOM 302 NE2 HIS A 31 32.481 64.451 37.495 1.00 29.69 N ATOM 303 H HIS A 31 31.907 59.451 33.846 1.00 0.00 H ATOM 304 N GLY A 32 32.896 60.142 38.030 1.00 27.07 N ATOM 305 CA GLY A 32 32.367 59.873 39.362 1.00 31.11 C ATOM 306 C GLY A 32 32.735 58.508 39.893 1.00 35.19 C ATOM 307 O GLY A 32 32.119 58.016 40.850 1.00 32.27 O ATOM 308 H GLY A 32 33.856 60.530 37.931 1.00 0.00 H ATOM 309 N HIS A 33 33.748 57.900 39.282 1.00 26.43 N ATOM 310 CA HIS A 33 34.159 56.552 39.650 1.00 26.54 C ATOM 311 C HIS A 33 35.660 56.441 39.915 1.00 33.19 C ATOM 312 O HIS A 33 36.225 55.357 39.822 1.00 34.39 O ATOM 313 CB HIS A 33 33.701 55.560 38.582 1.00 25.42 C ATOM 314 CG HIS A 33 32.218 55.320 38.598 1.00 33.84 C ATOM 315 ND1 HIS A 33 31.657 54.143 39.045 1.00 33.46 N ATOM 316 CD2 HIS A 33 31.181 56.117 38.241 1.00 28.76 C ATOM 317 CE1 HIS A 33 30.340 54.218 38.956 1.00 29.11 C ATOM 318 NE2 HIS A 33 30.025 55.407 38.473 1.00 31.36 N ATOM 319 H HIS A 33 34.258 58.398 38.525 1.00 0.00 H ATOM 320 N ARG A 34 36.277 57.572 40.254 1.00 30.61 N ATOM 321 CA ARG A 34 37.709 57.636 40.563 1.00 29.89 C ATOM 322 C ARG A 34 38.580 57.066 39.441 1.00 36.87 C ATOM 323 O ARG A 34 39.583 56.410 39.705 1.00 41.78 O ATOM 324 CB ARG A 34 37.995 56.917 41.905 1.00 34.99 C ATOM 325 CG ARG A 34 38.781 57.741 42.911 1.00 64.98 C ATOM 326 CD ARG A 34 39.125 56.910 44.153 1.00 70.54 C ATOM 327 NE ARG A 34 38.450 57.394 45.357 1.00 91.59 N ATOM 328 CZ ARG A 34 37.800 56.617 46.220 1.00101.09 C ATOM 329 NH1 ARG A 34 37.724 55.305 46.018 1.00 74.66 N ATOM 330 NH2 ARG A 34 37.223 57.153 47.289 1.00 84.02 N ATOM 331 HE ARG A 34 38.480 58.415 45.552 1.00 0.00 H ATOM 332 HH12 ARG A 34 37.215 54.703 46.696 1.00 0.00 H ATOM 333 HH11 ARG A 34 38.174 54.881 45.182 1.00 0.00 H ATOM 334 HH22 ARG A 34 36.715 56.547 47.964 1.00 0.00 H ATOM 335 HH21 ARG A 34 37.279 58.179 47.451 1.00 0.00 H ATOM 336 H ARG A 34 35.718 58.448 40.302 1.00 0.00 H ATOM 337 N ASN A 35 38.220 57.351 38.187 1.00 28.56 N ATOM 338 CA ASN A 35 38.929 56.782 37.042 1.00 26.11 C ATOM 339 C ASN A 35 39.881 57.770 36.356 1.00 31.14 C ATOM 340 O ASN A 35 40.570 57.421 35.401 1.00 35.03 O ATOM 341 CB ASN A 35 37.948 56.247 36.018 1.00 33.58 C ATOM 342 CG ASN A 35 37.128 55.113 36.566 1.00 35.85 C ATOM 343 OD1 ASN A 35 37.479 54.517 37.602 1.00 43.47 O ATOM 344 ND2 ASN A 35 36.016 54.831 35.914 1.00 34.52 N ATOM 345 HD22 ASN A 35 35.770 55.360 35.053 1.00 0.00 H ATOM 346 HD21 ASN A 35 35.386 54.080 36.261 1.00 0.00 H ATOM 347 H ASN A 35 37.418 57.992 38.021 1.00 0.00 H ATOM 348 N LEU A 36 39.873 59.000 36.842 1.00 27.86 N ATOM 349 CA LEU A 36 40.700 60.070 36.287 1.00 29.45 C ATOM 350 C LEU A 36 41.420 60.740 37.454 1.00 32.97 C ATOM 351 O LEU A 36 40.965 60.662 38.593 1.00 33.61 O ATOM 352 CB LEU A 36 39.786 61.067 35.571 1.00 27.66 C ATOM 353 CG LEU A 36 40.372 62.077 34.596 1.00 39.67 C ATOM 354 CD1 LEU A 36 40.838 61.365 33.341 1.00 36.16 C ATOM 355 CD2 LEU A 36 39.316 63.117 34.267 1.00 29.79 C ATOM 356 H LEU A 36 39.254 59.214 37.650 1.00 0.00 H ATOM 357 N ILE A 37 42.556 61.378 37.186 1.00 31.82 N ATOM 358 CA ILE A 37 43.199 62.232 38.183 1.00 29.97 C ATOM 359 C ILE A 37 42.148 63.109 38.857 1.00 30.11 C ATOM 360 O ILE A 37 41.407 63.831 38.186 1.00 33.63 O ATOM 361 CB ILE A 37 44.232 63.151 37.500 1.00 37.23 C ATOM 362 CG1 ILE A 37 45.368 62.312 36.914 1.00 59.97 C ATOM 363 CG2 ILE A 37 44.760 64.179 38.483 1.00 50.34 C ATOM 364 CD1 ILE A 37 46.518 63.131 36.377 1.00 67.73 C ATOM 365 H ILE A 37 42.995 61.267 36.250 1.00 0.00 H ATOM 366 N PRO A 38 42.054 63.023 40.181 1.00 31.97 N ATOM 367 CA PRO A 38 40.957 63.640 40.936 1.00 35.54 C ATOM 368 C PRO A 38 40.792 65.140 40.713 1.00 37.44 C ATOM 369 O PRO A 38 39.667 65.631 40.580 1.00 34.29 O ATOM 370 CB PRO A 38 41.350 63.365 42.394 1.00 36.60 C ATOM 371 CG PRO A 38 42.158 62.119 42.318 1.00 50.96 C ATOM 372 CD PRO A 38 42.938 62.218 41.045 1.00 37.04 C ATOM 373 N GLY A 39 41.895 65.874 40.700 1.00 35.72 N ATOM 374 CA GLY A 39 41.808 67.297 40.480 1.00 33.72 C ATOM 375 C GLY A 39 41.328 67.624 39.077 1.00 34.35 C ATOM 376 O GLY A 39 40.691 68.658 38.858 1.00 33.15 O ATOM 377 H GLY A 39 42.821 65.425 40.848 1.00 0.00 H ATOM 378 N LEU A 40 41.610 66.749 38.117 1.00 28.97 N ATOM 379 CA LEU A 40 41.136 66.998 36.756 1.00 29.76 C ATOM 380 C LEU A 40 39.633 66.736 36.687 1.00 27.77 C ATOM 381 O LEU A 40 38.880 67.526 36.120 1.00 26.81 O ATOM 382 CB LEU A 40 41.908 66.145 35.744 1.00 27.36 C ATOM 383 CG LEU A 40 41.476 66.194 34.271 1.00 33.50 C ATOM 384 CD1 LEU A 40 41.570 67.621 33.734 1.00 33.72 C ATOM 385 CD2 LEU A 40 42.345 65.254 33.459 1.00 29.09 C ATOM 386 H LEU A 40 42.163 65.895 38.332 1.00 0.00 H ATOM 387 N GLU A 41 39.201 65.641 37.306 1.00 30.20 N ATOM 388 CA GLU A 41 37.779 65.327 37.356 1.00 29.44 C ATOM 389 C GLU A 41 36.996 66.447 38.032 1.00 26.09 C ATOM 390 O GLU A 41 35.918 66.844 37.579 1.00 28.45 O ATOM 391 CB GLU A 41 37.553 63.986 38.061 1.00 35.37 C ATOM 392 CG GLU A 41 36.108 63.576 38.102 1.00 34.94 C ATOM 393 CD GLU A 41 35.901 62.075 38.248 1.00 31.15 C ATOM 394 OE1 GLU A 41 36.750 61.285 37.787 1.00 36.48 O ATOM 395 OE2 GLU A 41 34.887 61.693 38.843 1.00 41.99 O ATOM 396 H GLU A 41 39.885 65.002 37.759 1.00 0.00 H ATOM 397 N GLU A 42 37.549 66.982 39.114 1.00 26.31 N ATOM 398 CA GLU A 42 36.925 68.107 39.804 1.00 34.90 C ATOM 399 C GLU A 42 36.761 69.338 38.889 1.00 29.80 C ATOM 400 O GLU A 42 35.726 70.017 38.915 1.00 32.63 O ATOM 401 CB GLU A 42 37.761 68.451 41.037 1.00 40.91 C ATOM 402 CG GLU A 42 37.205 69.553 41.900 1.00 75.27 C ATOM 403 CD GLU A 42 38.115 69.856 43.076 1.00100.42 C ATOM 404 OE1 GLU A 42 39.075 69.080 43.299 1.00 78.48 O ATOM 405 OE2 GLU A 42 37.872 70.866 43.772 1.00 89.09 O ATOM 406 H GLU A 42 38.443 66.593 39.476 1.00 0.00 H ATOM 407 N ALA A 43 37.774 69.604 38.064 1.00 28.26 N ATOM 408 CA ALA A 43 37.739 70.721 37.109 1.00 29.34 C ATOM 409 C ALA A 43 36.692 70.522 36.021 1.00 31.06 C ATOM 410 O ALA A 43 36.151 71.484 35.478 1.00 30.58 O ATOM 411 CB ALA A 43 39.113 70.918 36.458 1.00 29.50 C ATOM 412 H ALA A 43 38.620 68.999 38.097 1.00 0.00 H ATOM 413 N LEU A 44 36.427 69.265 35.691 1.00 28.16 N ATOM 414 CA LEU A 44 35.475 68.923 34.638 1.00 25.62 C ATOM 415 C LEU A 44 34.014 68.967 35.093 1.00 27.38 C ATOM 416 O LEU A 44 33.115 69.090 34.288 1.00 27.78 O ATOM 417 CB LEU A 44 35.801 67.533 34.096 1.00 27.34 C ATOM 418 CG LEU A 44 36.890 67.550 33.024 1.00 27.21 C ATOM 419 CD1 LEU A 44 37.604 66.211 32.943 1.00 26.59 C ATOM 420 CD2 LEU A 44 36.277 67.937 31.651 1.00 25.21 C ATOM 421 H LEU A 44 36.913 68.498 36.199 1.00 0.00 H ATOM 422 N GLU A 45 33.789 68.871 36.392 1.00 29.22 N ATOM 423 CA GLU A 45 32.426 68.815 36.926 1.00 27.55 C ATOM 424 C GLU A 45 31.579 69.995 36.458 1.00 32.42 C ATOM 425 O GLU A 45 31.982 71.154 36.582 1.00 33.95 O ATOM 426 CB GLU A 45 32.481 68.792 38.459 1.00 33.99 C ATOM 427 CG GLU A 45 31.100 68.754 39.127 1.00 40.44 C ATOM 428 CD GLU A 45 30.400 67.425 38.948 1.00 52.57 C ATOM 429 OE1 GLU A 45 31.106 66.401 38.829 1.00 61.73 O ATOM 430 OE2 GLU A 45 29.144 67.402 38.936 1.00 49.57 O ATOM 431 H GLU A 45 34.595 68.835 37.048 1.00 0.00 H ATOM 432 N GLY A 46 30.424 69.697 35.882 1.00 29.02 N ATOM 433 CA GLY A 46 29.504 70.745 35.470 1.00 30.45 C ATOM 434 C GLY A 46 29.788 71.382 34.117 1.00 31.89 C ATOM 435 O GLY A 46 29.021 72.231 33.682 1.00 36.33 O ATOM 436 H GLY A 46 30.172 68.701 35.722 1.00 0.00 H ATOM 437 N ARG A 47 30.888 71.005 33.460 1.00 30.30 N ATOM 438 CA ARG A 47 31.232 71.598 32.154 1.00 28.58 C ATOM 439 C ARG A 47 30.271 71.129 31.051 1.00 33.15 C ATOM 440 O ARG A 47 29.810 69.991 31.059 1.00 30.99 O ATOM 441 CB ARG A 47 32.665 71.239 31.734 1.00 26.33 C ATOM 442 CG ARG A 47 33.773 71.638 32.704 1.00 36.24 C ATOM 443 CD ARG A 47 34.232 73.067 32.532 1.00 34.06 C ATOM 444 NE ARG A 47 35.257 73.392 33.527 1.00 33.64 N ATOM 445 CZ ARG A 47 35.807 74.592 33.683 1.00 48.46 C ATOM 446 NH1 ARG A 47 35.436 75.596 32.905 1.00 39.23 N ATOM 447 NH2 ARG A 47 36.736 74.782 34.617 1.00 38.95 N ATOM 448 HE ARG A 47 35.577 72.629 34.157 1.00 0.00 H ATOM 449 HH12 ARG A 47 35.866 76.535 33.027 1.00 0.00 H ATOM 450 HH11 ARG A 47 34.714 75.446 32.171 1.00 0.00 H ATOM 451 HH22 ARG A 47 37.166 75.721 34.739 1.00 0.00 H ATOM 452 HH21 ARG A 47 37.032 73.992 35.225 1.00 0.00 H ATOM 453 H ARG A 47 31.511 70.283 33.875 1.00 0.00 H ATOM 454 N GLU A 48 29.977 72.006 30.097 1.00 29.78 N ATOM 455 CA GLU A 48 29.123 71.652 28.962 1.00 30.92 C ATOM 456 C GLU A 48 29.932 70.990 27.856 1.00 28.81 C ATOM 457 O GLU A 48 31.116 71.283 27.679 1.00 28.80 O ATOM 458 CB GLU A 48 28.510 72.918 28.369 1.00 42.22 C ATOM 459 CG GLU A 48 27.573 73.652 29.296 1.00 53.95 C ATOM 460 CD GLU A 48 26.237 72.952 29.436 1.00 94.91 C ATOM 461 OE1 GLU A 48 25.993 71.978 28.687 1.00 61.98 O ATOM 462 OE2 GLU A 48 25.433 73.377 30.297 1.00 89.41 O ATOM 463 H GLU A 48 30.364 72.969 30.158 1.00 0.00 H ATOM 464 N GLU A 49 29.278 70.139 27.076 1.00 24.99 N ATOM 465 CA GLU A 49 29.897 69.609 25.893 1.00 22.49 C ATOM 466 C GLU A 49 30.257 70.803 24.991 1.00 26.87 C ATOM 467 O GLU A 49 29.412 71.682 24.751 1.00 30.81 O ATOM 468 CB GLU A 49 28.908 68.668 25.196 1.00 31.55 C ATOM 469 CG GLU A 49 29.484 67.891 24.041 1.00 36.30 C ATOM 470 CD GLU A 49 28.427 67.048 23.320 1.00 55.92 C ATOM 471 OE1 GLU A 49 27.943 67.479 22.250 1.00 46.51 O ATOM 472 OE2 GLU A 49 28.076 65.952 23.808 1.00 30.63 O ATOM 473 H GLU A 49 28.309 69.853 27.323 1.00 0.00 H ATOM 474 N GLY A 50 31.502 70.847 24.516 1.00 26.54 N ATOM 475 CA GLY A 50 31.969 71.943 23.665 1.00 23.57 C ATOM 476 C GLY A 50 32.856 72.943 24.396 1.00 27.05 C ATOM 477 O GLY A 50 33.568 73.739 23.773 1.00 26.19 O ATOM 478 H GLY A 50 32.161 70.080 24.757 1.00 0.00 H ATOM 479 N GLU A 51 32.828 72.896 25.725 1.00 23.10 N ATOM 480 CA GLU A 51 33.572 73.867 26.516 1.00 24.69 C ATOM 481 C GLU A 51 35.072 73.590 26.431 1.00 28.91 C ATOM 482 O GLU A 51 35.508 72.439 26.428 1.00 26.79 O ATOM 483 CB GLU A 51 33.067 73.843 27.974 1.00 27.88 C ATOM 484 CG GLU A 51 33.570 74.970 28.833 1.00 60.17 C ATOM 485 CD GLU A 51 32.763 75.150 30.121 1.00 40.23 C ATOM 486 OE1 GLU A 51 31.633 74.590 30.238 1.00 38.07 O ATOM 487 OE2 GLU A 51 33.275 75.873 31.010 1.00 48.36 O ATOM 488 H GLU A 51 32.270 72.160 26.203 1.00 0.00 H ATOM 489 N ALA A 52 35.869 74.650 26.336 1.00 24.71 N ATOM 490 CA ALA A 52 37.323 74.509 26.356 1.00 24.10 C ATOM 491 C ALA A 52 37.815 75.292 27.570 1.00 30.98 C ATOM 492 O ALA A 52 37.306 76.379 27.852 1.00 30.74 O ATOM 493 CB ALA A 52 37.941 75.096 25.082 1.00 28.49 C ATOM 494 H ALA A 52 35.449 75.597 26.246 1.00 0.00 H ATOM 495 N PHE A 53 38.786 74.755 28.301 1.00 25.70 N ATOM 496 CA PHE A 53 39.208 75.432 29.525 1.00 24.06 C ATOM 497 C PHE A 53 40.562 74.961 29.987 1.00 23.83 C ATOM 498 O PHE A 53 41.064 73.950 29.532 1.00 23.67 O ATOM 499 CB PHE A 53 38.196 75.221 30.647 1.00 26.57 C ATOM 500 CG PHE A 53 38.071 73.781 31.085 1.00 31.29 C ATOM 501 CD1 PHE A 53 38.782 73.314 32.183 1.00 27.74 C ATOM 502 CD2 PHE A 53 37.258 72.899 30.391 1.00 27.59 C ATOM 503 CE1 PHE A 53 38.674 71.996 32.582 1.00 30.04 C ATOM 504 CE2 PHE A 53 37.149 71.563 30.787 1.00 26.72 C ATOM 505 CZ PHE A 53 37.855 71.123 31.882 1.00 28.79 C ATOM 506 H PHE A 53 39.239 73.866 28.006 1.00 0.00 H ATOM 507 N GLN A 54 41.164 75.737 30.882 1.00 27.32 N ATOM 508 CA GLN A 54 42.466 75.361 31.435 1.00 25.47 C ATOM 509 C GLN A 54 42.257 74.960 32.882 1.00 31.88 C ATOM 510 O GLN A 54 41.424 75.540 33.578 1.00 32.46 O ATOM 511 CB GLN A 54 43.452 76.530 31.364 1.00 26.81 C ATOM 512 CG GLN A 54 44.773 76.229 32.094 1.00 37.75 C ATOM 513 CD GLN A 54 45.722 77.406 32.144 1.00 62.59 C ATOM 514 OE1 GLN A 54 46.942 77.229 32.108 1.00 45.37 O ATOM 515 NE2 GLN A 54 45.174 78.610 32.214 1.00 47.39 N ATOM 516 HE22 GLN A 54 44.139 78.709 32.242 1.00 0.00 H ATOM 517 HE21 GLN A 54 45.779 79.456 32.241 1.00 0.00 H ATOM 518 H GLN A 54 40.707 76.618 31.192 1.00 0.00 H ATOM 519 N ALA A 55 42.983 73.944 33.334 1.00 29.56 N ATOM 520 CA ALA A 55 42.896 73.533 34.725 1.00 35.83 C ATOM 521 C ALA A 55 44.298 73.378 35.259 1.00 34.37 C ATOM 522 O ALA A 55 45.140 72.774 34.604 1.00 34.59 O ATOM 523 CB ALA A 55 42.148 72.216 34.847 1.00 35.78 C ATOM 524 H ALA A 55 43.620 73.438 32.686 1.00 0.00 H ATOM 525 N HIS A 56 44.542 73.932 36.441 1.00 29.45 N ATOM 526 CA HIS A 56 45.799 73.707 37.146 1.00 29.17 C ATOM 527 C HIS A 56 45.535 72.700 38.247 1.00 42.10 C ATOM 528 O HIS A 56 44.712 72.946 39.126 1.00 36.65 O ATOM 529 CB HIS A 56 46.293 75.011 37.768 1.00 32.89 C ATOM 530 CG HIS A 56 46.814 75.989 36.773 1.00 34.87 C ATOM 531 ND1 HIS A 56 46.982 77.324 37.067 1.00 35.96 N ATOM 532 CD2 HIS A 56 47.223 75.826 35.493 1.00 42.54 C ATOM 533 CE1 HIS A 56 47.465 77.945 36.005 1.00 40.93 C ATOM 534 NE2 HIS A 56 47.621 77.060 35.036 1.00 38.07 N ATOM 535 H HIS A 56 43.819 74.541 36.875 1.00 0.00 H ATOM 536 N VAL A 57 46.221 71.567 38.192 1.00 31.42 N ATOM 537 CA VAL A 57 46.033 70.523 39.188 1.00 32.26 C ATOM 538 C VAL A 57 47.329 70.277 39.967 1.00 47.43 C ATOM 539 O VAL A 57 48.330 69.834 39.396 1.00 39.70 O ATOM 540 CB VAL A 57 45.586 69.208 38.513 1.00 35.18 C ATOM 541 CG1 VAL A 57 45.432 68.104 39.547 1.00 44.29 C ATOM 542 CG2 VAL A 57 44.287 69.423 37.731 1.00 34.82 C ATOM 543 H VAL A 57 46.906 71.422 37.423 1.00 0.00 H ATOM 544 N PRO A 58 47.316 70.571 41.277 1.00 48.59 N ATOM 545 CA PRO A 58 48.500 70.357 42.123 1.00 54.90 C ATOM 546 C PRO A 58 48.778 68.872 42.303 1.00 52.75 C ATOM 547 O PRO A 58 47.844 68.087 42.187 1.00 46.62 O ATOM 548 CB PRO A 58 48.096 70.985 43.457 1.00 44.96 C ATOM 549 CG PRO A 58 46.620 70.931 43.476 1.00 50.85 C ATOM 550 CD PRO A 58 46.169 71.095 42.043 1.00 42.39 C ATOM 551 N ALA A 59 50.027 68.498 42.575 1.00 79.54 N ATOM 552 CA ALA A 59 50.398 67.094 42.780 1.00 88.37 C ATOM 553 C ALA A 59 49.545 66.417 43.854 1.00 64.02 C ATOM 554 O ALA A 59 49.236 65.226 43.754 1.00 69.55 O ATOM 555 CB ALA A 59 51.874 66.986 43.134 1.00 96.09 C ATOM 556 H ALA A 59 50.765 69.227 42.644 1.00 0.00 H ATOM 557 N GLU A 60 49.153 67.197 44.862 1.00 88.68 N ATOM 558 CA GLU A 60 48.334 66.722 45.980 1.00 95.28 C ATOM 559 C GLU A 60 46.857 66.495 45.627 1.00 82.22 C ATOM 560 O GLU A 60 46.029 66.267 46.509 1.00 85.75 O ATOM 561 CB GLU A 60 48.436 67.701 47.149 1.00108.98 C ATOM 562 CG GLU A 60 47.998 69.115 46.801 1.00102.96 C ATOM 563 CD GLU A 60 48.287 70.105 47.911 1.00131.10 C ATOM 564 OE1 GLU A 60 48.581 69.665 49.043 1.00148.49 O ATOM 565 OE2 GLU A 60 48.225 71.325 47.650 1.00119.82 O ATOM 566 H GLU A 60 49.444 68.195 44.854 1.00 0.00 H ATOM 567 N LYS A 61 46.537 66.582 44.339 1.00 84.48 N ATOM 568 CA LYS A 61 45.218 66.224 43.820 1.00 81.44 C ATOM 569 C LYS A 61 45.431 65.403 42.555 1.00 84.78 C ATOM 570 O LYS A 61 44.527 65.264 41.720 1.00 42.56 O ATOM 571 CB LYS A 61 44.390 67.470 43.487 1.00 68.60 C ATOM 572 CG LYS A 61 44.119 68.412 44.658 1.00 92.25 C ATOM 573 CD LYS A 61 43.357 69.644 44.179 1.00 95.88 C ATOM 574 CE LYS A 61 43.482 70.806 45.155 1.00104.49 C ATOM 575 NZ LYS A 61 43.102 72.103 44.519 1.00 91.97 N ATOM 576 HZ1 LYS A 61 43.727 72.286 43.708 1.00 0.00 H ATOM 577 HZ2 LYS A 61 42.116 72.052 44.193 1.00 0.00 H ATOM 578 HZ3 LYS A 61 43.200 72.870 45.214 1.00 0.00 H ATOM 579 H LYS A 61 47.258 66.920 43.670 1.00 0.00 H ATOM 580 N ALA A 62 46.648 64.880 42.419 1.00 79.90 N ATOM 581 CA ALA A 62 47.044 64.089 41.259 1.00 48.96 C ATOM 582 C ALA A 62 47.732 62.796 41.690 1.00 83.70 C ATOM 583 O ALA A 62 47.153 61.985 42.415 1.00 99.43 O ATOM 584 CB ALA A 62 47.955 64.899 40.354 1.00 60.34 C ATOM 585 H ALA A 62 47.346 65.042 43.172 1.00 0.00 H TER 586 ALA A 62 ATOM 587 N ILE A 72 57.050 63.421 35.906 1.00 79.17 N ATOM 588 CA ILE A 72 56.524 64.446 36.806 1.00 79.14 C ATOM 589 C ILE A 72 57.341 64.565 38.088 1.00 69.87 C ATOM 590 O ILE A 72 57.496 63.591 38.826 1.00 87.16 O ATOM 591 CB ILE A 72 55.079 64.148 37.236 1.00 81.70 C ATOM 592 CG1 ILE A 72 54.271 63.525 36.087 1.00 75.24 C ATOM 593 CG2 ILE A 72 54.427 65.417 37.779 1.00 80.33 C ATOM 594 CD1 ILE A 72 53.620 64.530 35.166 1.00 87.15 C ATOM 595 HN3 ILE A 72 57.034 62.498 36.386 1.00 0.00 H ATOM 596 HN2 ILE A 72 58.028 63.660 35.644 1.00 0.00 H ATOM 597 HN1 ILE A 72 56.461 63.378 35.050 1.00 0.00 H ATOM 598 N PRO A 73 57.870 65.765 38.353 1.00 97.29 N ATOM 599 CA PRO A 73 58.571 66.052 39.613 1.00104.51 C ATOM 600 C PRO A 73 57.586 66.140 40.781 1.00104.56 C ATOM 601 O PRO A 73 56.375 66.152 40.539 1.00112.60 O ATOM 602 CB PRO A 73 59.235 67.415 39.349 1.00100.81 C ATOM 603 CG PRO A 73 58.468 68.010 38.205 1.00108.22 C ATOM 604 CD PRO A 73 58.033 66.845 37.364 1.00109.79 C ATOM 605 N PRO A 74 58.093 66.168 42.028 1.00 93.46 N ATOM 606 CA PRO A 74 57.210 66.332 43.191 1.00 86.70 C ATOM 607 C PRO A 74 56.637 67.748 43.286 1.00 97.70 C ATOM 608 O PRO A 74 57.316 68.706 42.911 1.00103.45 O ATOM 609 CB PRO A 74 58.144 66.069 44.385 1.00 85.61 C ATOM 610 CG PRO A 74 59.303 65.308 43.824 1.00 86.45 C ATOM 611 CD PRO A 74 59.471 65.824 42.425 1.00 95.66 C ATOM 612 N HIS A 75 55.402 67.861 43.774 1.00104.33 N ATOM 613 CA HIS A 75 54.767 69.145 44.074 1.00115.27 C ATOM 614 C HIS A 75 54.743 70.125 42.908 1.00118.34 C ATOM 615 O HIS A 75 54.732 71.341 43.104 1.00106.78 O ATOM 616 CB HIS A 75 55.429 69.808 45.282 1.00128.45 C ATOM 617 CG HIS A 75 55.381 68.979 46.526 1.00140.06 C ATOM 618 ND1 HIS A 75 54.199 68.642 47.149 1.00145.18 N ATOM 619 CD2 HIS A 75 56.369 68.414 47.260 1.00135.93 C ATOM 620 CE1 HIS A 75 54.461 67.907 48.215 1.00144.61 C ATOM 621 NE2 HIS A 75 55.770 67.754 48.305 1.00145.50 N ATOM 622 H HIS A 75 54.861 66.991 43.951 1.00 0.00 H ATOM 623 N ALA A 76 54.743 69.593 41.695 1.00108.19 N ATOM 624 CA ALA A 76 54.604 70.432 40.525 1.00 75.36 C ATOM 625 C ALA A 76 53.129 70.547 40.196 1.00 40.28 C ATOM 626 O ALA A 76 52.325 69.693 40.563 1.00 58.41 O ATOM 627 CB ALA A 76 55.370 69.854 39.348 1.00 64.80 C ATOM 628 H ALA A 76 54.844 68.564 41.583 1.00 0.00 H ATOM 629 N THR A 77 52.779 71.612 39.495 1.00 43.92 N ATOM 630 CA THR A 77 51.414 71.792 39.049 1.00 43.45 C ATOM 631 C THR A 77 51.220 71.112 37.706 1.00 42.05 C ATOM 632 O THR A 77 52.050 71.278 36.808 1.00 37.06 O ATOM 633 CB THR A 77 51.099 73.289 38.919 1.00 41.53 C ATOM 634 OG1 THR A 77 51.117 73.876 40.221 1.00 46.94 O ATOM 635 CG2 THR A 77 49.731 73.493 38.286 1.00 38.31 C ATOM 636 HG1 THR A 77 50.915 74.842 40.149 1.00 0.00 H ATOM 637 H THR A 77 53.494 72.330 39.261 1.00 0.00 H ATOM 638 N LEU A 78 50.146 70.329 37.569 1.00 31.17 N ATOM 639 CA LEU A 78 49.779 69.778 36.271 1.00 31.06 C ATOM 640 C LEU A 78 48.888 70.778 35.546 1.00 40.29 C ATOM 641 O LEU A 78 47.801 71.110 36.021 1.00 42.57 O ATOM 642 CB LEU A 78 49.027 68.455 36.429 1.00 33.17 C ATOM 643 CG LEU A 78 49.816 67.136 36.437 1.00 39.31 C ATOM 644 CD1 LEU A 78 51.146 67.218 37.119 1.00 35.70 C ATOM 645 CD2 LEU A 78 48.996 66.032 37.081 1.00 42.45 C ATOM 646 H LEU A 78 49.563 70.109 38.402 1.00 0.00 H ATOM 647 N ASP A 79 49.353 71.252 34.394 1.00 36.09 N ATOM 648 CA ASP A 79 48.646 72.298 33.665 1.00 30.41 C ATOM 649 C ASP A 79 47.944 71.693 32.443 1.00 33.30 C ATOM 650 O ASP A 79 48.580 71.367 31.442 1.00 29.96 O ATOM 651 CB ASP A 79 49.640 73.414 33.300 1.00 32.67 C ATOM 652 CG ASP A 79 49.060 74.455 32.350 1.00 51.57 C ATOM 653 OD1 ASP A 79 47.822 74.558 32.221 1.00 55.81 O ATOM 654 OD2 ASP A 79 49.870 75.185 31.732 1.00 80.21 O ATOM 655 H ASP A 79 50.238 70.869 34.005 1.00 0.00 H ATOM 656 N PHE A 80 46.630 71.523 32.549 1.00 29.30 N ATOM 657 CA PHE A 80 45.855 70.920 31.465 1.00 30.66 C ATOM 658 C PHE A 80 45.130 71.969 30.632 1.00 30.93 C ATOM 659 O PHE A 80 44.552 72.920 31.176 1.00 29.48 O ATOM 660 CB PHE A 80 44.787 69.982 32.023 1.00 30.01 C ATOM 661 CG PHE A 80 45.316 68.667 32.554 1.00 33.08 C ATOM 662 CD1 PHE A 80 45.501 67.587 31.707 1.00 32.19 C ATOM 663 CD2 PHE A 80 45.581 68.513 33.904 1.00 34.65 C ATOM 664 CE1 PHE A 80 45.966 66.366 32.192 1.00 35.04 C ATOM 665 CE2 PHE A 80 46.042 67.301 34.390 1.00 31.95 C ATOM 666 CZ PHE A 80 46.230 66.233 33.529 1.00 29.26 C ATOM 667 H PHE A 80 46.144 71.824 33.418 1.00 0.00 H ATOM 668 N GLN A 81 45.146 71.772 29.321 1.00 28.33 N ATOM 669 CA GLN A 81 44.290 72.515 28.413 1.00 29.35 C ATOM 670 C GLN A 81 43.306 71.452 27.932 1.00 27.96 C ATOM 671 O GLN A 81 43.727 70.425 27.409 1.00 30.46 O ATOM 672 CB GLN A 81 45.133 73.009 27.244 1.00 31.30 C ATOM 673 CG GLN A 81 44.624 74.223 26.554 1.00 72.67 C ATOM 674 CD GLN A 81 44.471 75.375 27.507 1.00 53.11 C ATOM 675 OE1 GLN A 81 45.435 75.833 28.125 1.00 81.12 O ATOM 676 NE2 GLN A 81 43.252 75.831 27.658 1.00 37.94 N ATOM 677 HE22 GLN A 81 42.470 75.413 27.115 1.00 0.00 H ATOM 678 HE21 GLN A 81 43.067 76.611 28.321 1.00 0.00 H ATOM 679 H GLN A 81 45.795 71.060 28.929 1.00 0.00 H ATOM 680 N VAL A 82 42.010 71.664 28.135 1.00 23.53 N ATOM 681 CA VAL A 82 41.029 70.591 27.930 1.00 23.89 C ATOM 682 C VAL A 82 39.886 71.048 27.024 1.00 29.28 C ATOM 683 O VAL A 82 39.435 72.186 27.139 1.00 30.98 O ATOM 684 CB VAL A 82 40.417 70.170 29.279 1.00 25.09 C ATOM 685 CG1 VAL A 82 39.380 69.020 29.092 1.00 29.29 C ATOM 686 CG2 VAL A 82 41.509 69.764 30.255 1.00 32.20 C ATOM 687 H VAL A 82 41.686 72.603 28.443 1.00 0.00 H ATOM 688 N GLU A 83 39.424 70.169 26.138 1.00 26.79 N ATOM 689 CA GLU A 83 38.161 70.397 25.416 1.00 22.22 C ATOM 690 C GLU A 83 37.193 69.261 25.754 1.00 23.42 C ATOM 691 O GLU A 83 37.579 68.097 25.690 1.00 24.49 O ATOM 692 CB GLU A 83 38.387 70.384 23.907 1.00 25.81 C ATOM 693 CG GLU A 83 39.418 71.410 23.419 1.00 41.74 C ATOM 694 CD GLU A 83 39.916 71.093 22.010 1.00 95.84 C ATOM 695 OE1 GLU A 83 39.187 71.382 21.036 1.00 44.09 O ATOM 696 OE2 GLU A 83 41.031 70.541 21.871 1.00 58.11 O ATOM 697 H GLU A 83 39.967 69.302 25.951 1.00 0.00 H ATOM 698 N VAL A 84 35.957 69.590 26.124 1.00 26.07 N ATOM 699 CA VAL A 84 34.951 68.545 26.319 1.00 22.71 C ATOM 700 C VAL A 84 34.354 68.199 24.964 1.00 23.92 C ATOM 701 O VAL A 84 33.598 68.990 24.400 1.00 26.33 O ATOM 702 CB VAL A 84 33.856 68.977 27.276 1.00 24.78 C ATOM 703 CG1 VAL A 84 32.872 67.824 27.521 1.00 25.34 C ATOM 704 CG2 VAL A 84 34.464 69.454 28.616 1.00 25.29 C ATOM 705 H VAL A 84 35.707 70.588 26.274 1.00 0.00 H ATOM 706 N VAL A 85 34.718 67.034 24.439 1.00 20.47 N ATOM 707 CA VAL A 85 34.303 66.634 23.092 1.00 22.49 C ATOM 708 C VAL A 85 32.880 66.080 23.073 1.00 26.08 C ATOM 709 O VAL A 85 32.076 66.417 22.184 1.00 25.51 O ATOM 710 CB VAL A 85 35.257 65.579 22.516 1.00 22.32 C ATOM 711 CG1 VAL A 85 34.811 65.148 21.120 1.00 26.96 C ATOM 712 CG2 VAL A 85 36.685 66.121 22.483 1.00 27.31 C ATOM 713 H VAL A 85 35.313 66.390 24.998 1.00 0.00 H ATOM 714 N LYS A 86 32.572 65.220 24.047 1.00 22.29 N ATOM 715 CA LYS A 86 31.277 64.537 24.063 1.00 22.38 C ATOM 716 C LYS A 86 30.915 64.198 25.495 1.00 22.46 C ATOM 717 O LYS A 86 31.796 63.895 26.299 1.00 21.64 O ATOM 718 CB LYS A 86 31.339 63.238 23.235 1.00 23.55 C ATOM 719 CG LYS A 86 29.985 62.520 23.074 1.00 28.60 C ATOM 720 CD LYS A 86 30.125 61.231 22.263 1.00 40.82 C ATOM 721 CE LYS A 86 28.772 60.521 22.146 1.00 54.68 C ATOM 722 NZ LYS A 86 28.888 59.086 21.736 1.00 56.50 N ATOM 723 HZ1 LYS A 86 29.353 59.028 20.808 1.00 0.00 H ATOM 724 HZ2 LYS A 86 29.453 58.570 22.441 1.00 0.00 H ATOM 725 HZ3 LYS A 86 27.938 58.666 21.676 1.00 0.00 H ATOM 726 H LYS A 86 33.261 65.033 24.804 1.00 0.00 H ATOM 727 N VAL A 87 29.619 64.269 25.798 1.00 21.07 N ATOM 728 CA VAL A 87 29.097 63.833 27.097 1.00 20.33 C ATOM 729 C VAL A 87 27.875 62.995 26.790 1.00 20.69 C ATOM 730 O VAL A 87 27.007 63.399 25.983 1.00 23.24 O ATOM 731 CB VAL A 87 28.687 65.028 27.990 1.00 22.27 C ATOM 732 CG1 VAL A 87 28.079 64.512 29.311 1.00 27.25 C ATOM 733 CG2 VAL A 87 29.900 65.921 28.296 1.00 23.76 C ATOM 734 H VAL A 87 28.957 64.646 25.090 1.00 0.00 H ATOM 735 N ARG A 88 27.822 61.795 27.356 1.00 22.55 N ATOM 736 CA ARG A 88 26.604 61.004 27.238 1.00 19.71 C ATOM 737 C ARG A 88 26.375 60.253 28.539 1.00 21.34 C ATOM 738 O ARG A 88 27.262 60.143 29.367 1.00 25.02 O ATOM 739 CB ARG A 88 26.726 60.000 26.100 1.00 22.85 C ATOM 740 CG ARG A 88 27.885 59.010 26.290 1.00 25.03 C ATOM 741 CD ARG A 88 27.791 57.833 25.333 1.00 29.34 C ATOM 742 NE ARG A 88 28.956 56.947 25.404 1.00 24.67 N ATOM 743 CZ ARG A 88 29.069 55.926 26.253 1.00 26.20 C ATOM 744 NH1 ARG A 88 28.099 55.655 27.114 1.00 23.70 N ATOM 745 NH2 ARG A 88 30.165 55.180 26.246 1.00 23.84 N ATOM 746 HE ARG A 88 29.745 57.126 24.750 1.00 0.00 H ATOM 747 HH12 ARG A 88 28.196 54.856 27.773 1.00 0.00 H ATOM 748 HH11 ARG A 88 27.240 56.241 27.131 1.00 0.00 H ATOM 749 HH22 ARG A 88 30.256 54.383 26.908 1.00 0.00 H ATOM 750 HH21 ARG A 88 30.934 55.392 25.579 1.00 0.00 H ATOM 751 H ARG A 88 28.641 61.424 27.878 1.00 0.00 H ATOM 752 N GLU A 89 25.175 59.721 28.693 1.00 21.65 N ATOM 753 CA GLU A 89 24.887 58.831 29.809 1.00 24.84 C ATOM 754 C GLU A 89 25.510 57.462 29.635 1.00 24.82 C ATOM 755 O GLU A 89 25.645 56.963 28.516 1.00 24.74 O ATOM 756 CB GLU A 89 23.377 58.714 30.001 1.00 26.20 C ATOM 757 CG GLU A 89 22.785 60.020 30.487 1.00 27.31 C ATOM 758 CD GLU A 89 21.264 59.992 30.702 1.00 43.26 C ATOM 759 OE1 GLU A 89 20.592 58.999 30.354 1.00 30.93 O ATOM 760 OE2 GLU A 89 20.739 61.002 31.207 1.00 34.29 O ATOM 761 H GLU A 89 24.425 59.941 28.007 1.00 0.00 H ATOM 762 N ALA A 90 25.904 56.871 30.762 1.00 25.87 N ATOM 763 CA ALA A 90 26.508 55.546 30.771 1.00 27.51 C ATOM 764 C ALA A 90 25.465 54.469 30.519 1.00 27.35 C ATOM 765 O ALA A 90 24.277 54.617 30.880 1.00 30.81 O ATOM 766 CB ALA A 90 27.193 55.303 32.122 1.00 25.66 C ATOM 767 H ALA A 90 25.776 57.372 31.664 1.00 0.00 H ATOM 768 N THR A 91 25.906 53.380 29.892 1.00 24.64 N ATOM 769 CA THR A 91 25.070 52.185 29.748 1.00 25.27 C ATOM 770 C THR A 91 25.019 51.432 31.069 1.00 25.13 C ATOM 771 O THR A 91 25.826 51.644 31.961 1.00 25.51 O ATOM 772 CB THR A 91 25.665 51.215 28.701 1.00 30.51 C ATOM 773 OG1 THR A 91 26.901 50.686 29.190 1.00 27.94 O ATOM 774 CG2 THR A 91 25.907 51.928 27.363 1.00 30.26 C ATOM 775 HG1 THR A 91 27.281 50.065 28.519 1.00 0.00 H ATOM 776 H THR A 91 26.867 53.378 29.495 1.00 0.00 H ATOM 777 N PRO A 92 24.080 50.498 31.186 1.00 25.75 N ATOM 778 CA PRO A 92 24.032 49.741 32.444 1.00 31.03 C ATOM 779 C PRO A 92 25.309 48.936 32.688 1.00 28.14 C ATOM 780 O PRO A 92 25.768 48.795 33.834 1.00 28.90 O ATOM 781 CB PRO A 92 22.842 48.800 32.232 1.00 33.68 C ATOM 782 CG PRO A 92 21.925 49.581 31.313 1.00 33.68 C ATOM 783 CD PRO A 92 22.845 50.372 30.389 1.00 28.14 C ATOM 784 N GLU A 93 25.879 48.397 31.620 1.00 28.38 N ATOM 785 CA GLU A 93 27.128 47.645 31.744 1.00 28.81 C ATOM 786 C GLU A 93 28.314 48.514 32.191 1.00 29.29 C ATOM 787 O GLU A 93 29.180 48.070 32.951 1.00 27.08 O ATOM 788 CB GLU A 93 27.452 46.948 30.418 1.00 38.76 C ATOM 789 CG GLU A 93 26.419 45.873 30.004 1.00 42.46 C ATOM 790 CD GLU A 93 25.111 46.408 29.374 1.00 78.79 C ATOM 791 OE1 GLU A 93 24.983 47.618 29.036 1.00 36.20 O ATOM 792 OE2 GLU A 93 24.189 45.575 29.212 1.00 87.62 O ATOM 793 H GLU A 93 25.435 48.509 30.686 1.00 0.00 H ATOM 794 N GLU A 94 28.379 49.739 31.690 1.00 22.73 N ATOM 795 CA GLU A 94 29.444 50.628 32.119 1.00 20.96 C ATOM 796 C GLU A 94 29.305 50.920 33.607 1.00 24.32 C ATOM 797 O GLU A 94 30.295 50.957 34.334 1.00 27.39 O ATOM 798 CB GLU A 94 29.400 51.920 31.316 1.00 24.68 C ATOM 799 CG GLU A 94 29.876 51.691 29.874 1.00 24.17 C ATOM 800 CD GLU A 94 29.656 52.889 28.954 1.00 25.42 C ATOM 801 OE1 GLU A 94 28.604 53.555 29.054 1.00 26.79 O ATOM 802 OE2 GLU A 94 30.540 53.138 28.117 1.00 27.90 O ATOM 803 H GLU A 94 27.674 50.061 30.996 1.00 0.00 H ATOM 804 N LEU A 95 28.074 51.118 34.061 1.00 24.55 N ATOM 805 CA LEU A 95 27.867 51.416 35.477 1.00 26.06 C ATOM 806 C LEU A 95 28.260 50.223 36.359 1.00 33.54 C ATOM 807 O LEU A 95 28.860 50.389 37.435 1.00 31.15 O ATOM 808 CB LEU A 95 26.438 51.853 35.759 1.00 28.72 C ATOM 809 CG LEU A 95 26.020 53.169 35.104 1.00 29.24 C ATOM 810 CD1 LEU A 95 24.582 53.531 35.447 1.00 34.73 C ATOM 811 CD2 LEU A 95 26.997 54.281 35.538 1.00 35.35 C ATOM 812 H LEU A 95 27.262 51.062 33.414 1.00 0.00 H ATOM 813 N LEU A 96 27.927 49.026 35.899 1.00 25.48 N ATOM 814 CA LEU A 96 28.230 47.815 36.664 1.00 28.43 C ATOM 815 C LEU A 96 29.740 47.583 36.703 1.00 32.36 C ATOM 816 O LEU A 96 30.280 47.219 37.743 1.00 31.13 O ATOM 817 CB LEU A 96 27.503 46.618 36.068 1.00 30.57 C ATOM 818 CG LEU A 96 27.680 45.297 36.812 1.00 61.24 C ATOM 819 CD1 LEU A 96 26.332 44.614 36.966 1.00 90.30 C ATOM 820 CD2 LEU A 96 28.666 44.386 36.091 1.00 65.24 C ATOM 821 H LEU A 96 27.444 48.945 34.982 1.00 0.00 H ATOM 822 N HIS A 97 30.430 47.829 35.588 1.00 27.21 N ATOM 823 CA HIS A 97 31.874 47.618 35.542 1.00 25.82 C ATOM 824 C HIS A 97 32.617 48.765 36.206 1.00 29.85 C ATOM 825 O HIS A 97 33.770 48.617 36.621 1.00 28.57 O ATOM 826 CB HIS A 97 32.371 47.483 34.107 1.00 25.71 C ATOM 827 CG HIS A 97 31.963 46.207 33.443 1.00 29.30 C ATOM 828 ND1 HIS A 97 32.485 45.798 32.235 1.00 24.92 N ATOM 829 CD2 HIS A 97 31.072 45.256 33.816 1.00 30.35 C ATOM 830 CE1 HIS A 97 31.932 44.645 31.892 1.00 34.34 C ATOM 831 NE2 HIS A 97 31.072 44.294 32.834 1.00 39.32 N ATOM 832 H HIS A 97 29.934 48.175 34.742 1.00 0.00 H ATOM 833 N GLY A 98 31.961 49.915 36.284 1.00 26.30 N ATOM 834 CA GLY A 98 32.605 51.097 36.835 1.00 29.06 C ATOM 835 C GLY A 98 33.593 51.766 35.894 1.00 29.70 C ATOM 836 O GLY A 98 34.493 52.486 36.335 1.00 26.59 O ATOM 837 H GLY A 98 30.978 49.972 35.949 1.00 0.00 H ATOM 838 N HIS A 99 33.422 51.564 34.590 1.00 23.15 N ATOM 839 CA HIS A 99 34.322 52.209 33.628 1.00 25.73 C ATOM 840 C HIS A 99 33.631 52.395 32.274 1.00 24.94 C ATOM 841 O HIS A 99 32.587 51.794 32.016 1.00 26.10 O ATOM 842 CB HIS A 99 35.659 51.420 33.510 1.00 23.74 C ATOM 843 CG HIS A 99 35.496 49.963 33.171 1.00 26.72 C ATOM 844 ND1 HIS A 99 36.235 48.969 33.782 1.00 26.18 N ATOM 845 CD2 HIS A 99 34.704 49.336 32.269 1.00 25.36 C ATOM 846 CE1 HIS A 99 35.886 47.792 33.289 1.00 35.37 C ATOM 847 NE2 HIS A 99 34.960 47.984 32.368 1.00 27.17 N ATOM 848 H HIS A 99 32.652 50.951 34.254 1.00 0.00 H ATOM 849 N ALA A 100 34.193 53.264 31.438 1.00 21.56 N ATOM 850 CA ALA A 100 33.664 53.476 30.102 1.00 19.74 C ATOM 851 C ALA A 100 34.040 52.342 29.133 1.00 26.46 C ATOM 852 O ALA A 100 35.123 51.748 29.248 1.00 27.31 O ATOM 853 CB ALA A 100 34.186 54.827 29.562 1.00 26.21 C ATOM 854 H ALA A 100 35.028 53.802 31.747 1.00 0.00 H ATOM 855 N HIS A 101 33.162 52.081 28.164 1.00 25.78 N ATOM 856 CA HIS A 101 33.382 51.052 27.131 1.00 21.62 C ATOM 857 C HIS A 101 33.375 51.671 25.731 1.00 34.72 C ATOM 858 O HIS A 101 32.663 52.635 25.500 1.00 30.61 O ATOM 859 CB HIS A 101 32.251 50.040 27.188 1.00 24.88 C ATOM 860 CG HIS A 101 32.323 49.114 28.364 1.00 25.06 C ATOM 861 ND1 HIS A 101 31.202 48.560 28.939 1.00 26.09 N ATOM 862 CD2 HIS A 101 33.383 48.622 29.053 1.00 31.09 C ATOM 863 CE1 HIS A 101 31.564 47.779 29.946 1.00 25.54 C ATOM 864 NE2 HIS A 101 32.881 47.795 30.031 1.00 23.76 N ATOM 865 H HIS A 101 32.279 52.630 28.135 1.00 0.00 H ATOM 866 N PRO A 102 34.138 51.087 24.793 1.00 64.57 N ATOM 867 CA PRO A 102 34.122 51.505 23.378 1.00 45.50 C ATOM 868 C PRO A 102 32.719 51.395 22.777 1.00 59.11 C ATOM 869 O PRO A 102 31.905 50.612 23.273 1.00 82.77 O ATOM 870 CB PRO A 102 35.075 50.510 22.707 1.00 73.36 C ATOM 871 CG PRO A 102 35.148 49.342 23.645 1.00 71.61 C ATOM 872 CD PRO A 102 35.012 49.925 25.021 1.00 48.33 C ATOM 873 N SER A 103 32.447 52.172 21.728 1.00 64.98 N ATOM 874 CA SER A 103 31.096 52.303 21.167 1.00 72.57 C ATOM 875 C SER A 103 30.457 50.976 20.771 1.00 85.81 C ATOM 876 O SER A 103 29.263 50.759 21.003 1.00 80.43 O ATOM 877 CB SER A 103 31.106 53.238 19.954 1.00 73.45 C ATOM 878 OG SER A 103 31.818 52.660 18.873 1.00 96.52 O ATOM 879 HG SER A 103 32.753 52.488 19.150 1.00 0.00 H ATOM 880 H SER A 103 33.223 52.707 21.289 1.00 0.00 H ATOM 881 N GLY A 104 31.256 50.099 20.165 1.00 51.37 N ATOM 882 CA GLY A 104 30.764 48.810 19.714 1.00 72.47 C ATOM 883 C GLY A 104 30.411 47.914 20.880 1.00 53.13 C ATOM 884 O GLY A 104 31.226 47.725 21.781 1.00 59.51 O ATOM 885 H GLY A 104 32.255 50.343 20.012 1.00 0.00 H ATOM 886 N HIS A 105 29.192 47.382 20.874 1.00 60.09 N ATOM 887 CA HIS A 105 28.753 46.484 21.934 1.00 42.60 C ATOM 888 C HIS A 105 29.618 45.232 21.888 1.00 61.63 C ATOM 889 O HIS A 105 29.764 44.607 20.840 1.00 54.20 O ATOM 890 CB HIS A 105 27.290 46.061 21.750 1.00 53.80 C ATOM 891 CG HIS A 105 26.378 47.167 21.311 1.00106.02 C ATOM 892 ND1 HIS A 105 26.138 47.453 19.983 1.00102.60 N ATOM 893 CD2 HIS A 105 25.631 48.044 22.024 1.00 87.38 C ATOM 894 CE1 HIS A 105 25.291 48.463 19.897 1.00 54.62 C ATOM 895 NE2 HIS A 105 24.968 48.840 21.122 1.00 87.73 N ATOM 896 H HIS A 105 28.539 47.612 20.097 1.00 0.00 H ATOM 897 N HIS A 106 30.211 44.883 23.019 1.00 48.40 N ATOM 898 CA HIS A 106 30.863 43.590 23.160 1.00 34.89 C ATOM 899 C HIS A 106 30.651 43.160 24.592 1.00 32.30 C ATOM 900 O HIS A 106 31.362 43.621 25.479 1.00 37.70 O ATOM 901 CB HIS A 106 32.363 43.684 22.858 1.00 37.39 C ATOM 902 CG HIS A 106 33.062 42.357 22.884 1.00 34.32 C ATOM 903 ND1 HIS A 106 32.733 41.335 22.021 1.00 32.51 N ATOM 904 CD2 HIS A 106 34.068 41.884 23.663 1.00 28.24 C ATOM 905 CE1 HIS A 106 33.496 40.282 22.278 1.00 31.93 C ATOM 906 NE2 HIS A 106 34.319 40.592 23.263 1.00 28.07 N ATOM 907 H HIS A 106 30.211 45.545 23.821 1.00 0.00 H ATOM 908 N HIS A 107 29.667 42.297 24.822 1.00 31.38 N ATOM 909 CA HIS A 107 29.355 41.847 26.183 1.00 35.88 C ATOM 910 C HIS A 107 30.534 41.115 26.822 1.00 37.07 C ATOM 911 O HIS A 107 31.166 40.284 26.177 1.00 38.02 O ATOM 912 CB HIS A 107 28.136 40.921 26.206 1.00 38.50 C ATOM 913 CG HIS A 107 27.824 40.378 27.569 1.00 57.13 C ATOM 914 ND1 HIS A 107 28.157 39.097 27.955 1.00 60.18 N ATOM 915 CD2 HIS A 107 27.243 40.956 28.648 1.00 74.51 C ATOM 916 CE1 HIS A 107 27.778 38.903 29.206 1.00 81.14 C ATOM 917 NE2 HIS A 107 27.223 40.016 29.651 1.00 73.81 N ATOM 918 H HIS A 107 29.108 41.934 24.023 1.00 0.00 H ATOM 919 N HIS A 108 30.816 41.408 28.088 1.00 30.48 N ATOM 920 CA HIS A 108 32.025 40.873 28.724 1.00 26.63 C ATOM 921 C HIS A 108 32.007 41.046 30.237 1.00 37.96 C ATOM 922 O HIS A 108 31.156 41.740 30.774 1.00 34.32 O ATOM 923 CB HIS A 108 33.259 41.576 28.167 1.00 30.57 C ATOM 924 CG HIS A 108 33.360 43.014 28.574 1.00 29.52 C ATOM 925 ND1 HIS A 108 32.762 44.031 27.855 1.00 30.61 N ATOM 926 CD2 HIS A 108 33.971 43.608 29.628 1.00 26.80 C ATOM 927 CE1 HIS A 108 33.007 45.187 28.445 1.00 28.20 C ATOM 928 NE2 HIS A 108 33.733 44.957 29.526 1.00 26.16 N ATOM 929 H HIS A 108 30.175 42.021 28.631 1.00 0.00 H ATOM 930 N HIS A 109 32.965 40.440 30.920 1.00 35.56 N ATOM 931 CA HIS A 109 33.150 40.741 32.329 1.00 48.49 C ATOM 932 C HIS A 109 34.634 40.784 32.657 1.00 29.89 C ATOM 933 O HIS A 109 35.480 40.555 31.791 1.00 39.35 O ATOM 934 CB HIS A 109 32.386 39.759 33.223 1.00 51.52 C ATOM 935 CG HIS A 109 33.007 38.402 33.305 1.00 23.47 C ATOM 936 ND1 HIS A 109 34.134 38.146 34.056 1.00 38.10 N ATOM 937 CD2 HIS A 109 32.646 37.223 32.749 1.00 35.45 C ATOM 938 CE1 HIS A 109 34.450 36.869 33.945 1.00 38.94 C ATOM 939 NE2 HIS A 109 33.564 36.287 33.157 1.00 32.61 N ATOM 940 H HIS A 109 33.584 39.750 30.449 1.00 0.00 H ATOM 941 N HIS A 110 34.946 41.102 33.908 1.00 37.15 N ATOM 942 CA HIS A 110 36.325 41.333 34.317 1.00 28.79 C ATOM 943 C HIS A 110 36.665 40.497 35.539 1.00 43.89 C ATOM 944 O HIS A 110 35.770 39.864 36.071 1.00 42.22 O ATOM 945 CB HIS A 110 36.533 42.800 34.635 1.00 31.56 C ATOM 946 CG HIS A 110 36.292 43.691 33.451 1.00 27.02 C ATOM 947 ND1 HIS A 110 37.220 43.851 32.450 1.00 28.58 N ATOM 948 CD2 HIS A 110 35.205 44.410 33.082 1.00 31.55 C ATOM 949 CE1 HIS A 110 36.729 44.658 31.521 1.00 27.57 C ATOM 950 NE2 HIS A 110 35.507 45.008 31.881 1.00 27.99 N ATOM 951 OXT HIS A 110 37.807 40.455 35.992 1.00 47.71 O ATOM 952 H HIS A 110 34.187 41.188 34.614 1.00 0.00 H TER 953 HIS A 110 HETATM 954 CA CA A 1 26.327 65.582 22.171 1.00 41.63 CA HETATM 955 CA CA A 2 36.082 78.406 27.905 1.00 37.20 CA HETATM 956 CA CA A 3 37.157 53.285 39.868 1.00 38.09 CA HETATM 957 CA CA A 4 53.021 75.308 25.391 1.00 48.06 CA HETATM 958 O HOH 6 35.810 58.773 37.402 1.00 27.40 O HETATM 959 O HOH 7 31.550 60.458 25.619 1.00 24.88 O HETATM 960 O HOH 8 28.646 49.218 27.524 1.00 28.79 O HETATM 961 O HOH 9 35.559 59.996 40.939 1.00 36.56 O HETATM 962 O HOH 10 59.489 74.999 29.894 1.00 37.56 O HETATM 963 O HOH 11 29.419 51.553 25.738 1.00 33.33 O HETATM 964 O HOH 12 31.029 58.251 24.073 1.00 37.52 O HETATM 965 O HOH 13 37.685 78.887 26.278 1.00 41.47 O HETATM 966 O HOH 14 46.569 80.355 33.330 1.00 39.66 O HETATM 967 O HOH 15 38.599 60.872 39.744 1.00 44.34 O HETATM 968 O HOH 16 27.979 65.007 39.572 1.00 42.30 O HETATM 969 O HOH 17 39.588 42.312 32.895 1.00 38.34 O HETATM 970 O HOH 18 35.021 46.105 36.400 1.00 35.08 O HETATM 971 O HOH 19 56.035 76.978 28.376 1.00 33.86 O HETATM 972 O HOH 20 37.548 64.512 41.952 1.00 49.66 O HETATM 973 O HOH 21 48.595 72.444 28.533 1.00 38.25 O HETATM 974 O HOH 22 21.498 50.645 35.333 1.00 41.63 O HETATM 975 O HOH 23 40.660 77.508 27.014 1.00 45.21 O HETATM 976 O HOH 24 53.125 74.195 32.846 1.00 40.10 O HETATM 977 O HOH 25 25.995 63.481 23.474 1.00 37.32 O HETATM 978 O HOH 26 35.093 52.266 39.323 1.00 40.40 O HETATM 979 O HOH 27 23.034 67.800 31.305 1.00 49.90 O HETATM 980 O HOH 28 39.755 56.330 26.204 1.00 38.88 O HETATM 981 O HOH 29 39.906 78.430 31.471 1.00 37.66 O HETATM 982 O HOH 30 23.857 49.065 36.014 1.00 36.27 O HETATM 983 O HOH 31 37.594 52.165 30.353 1.00 41.38 O HETATM 984 O HOH 32 32.788 69.376 21.313 1.00 44.03 O HETATM 985 O HOH 33 53.662 73.199 35.633 1.00 42.39 O HETATM 986 O HOH 34 33.323 63.488 40.438 1.00 38.83 O HETATM 987 O HOH 35 24.825 63.125 36.306 1.00 45.93 O HETATM 988 O HOH 36 55.207 74.423 25.958 1.00 51.61 O HETATM 989 O HOH 37 33.611 60.101 21.959 1.00 41.61 O HETATM 990 O HOH 38 36.546 49.761 37.347 1.00 54.69 O HETATM 991 O HOH 39 29.396 43.881 29.049 1.00 40.95 O HETATM 992 O HOH 40 40.554 71.008 18.977 1.00 51.22 O HETATM 993 O HOH 41 37.799 58.256 23.445 1.00 45.99 O HETATM 994 O HOH 42 35.719 62.055 18.777 1.00 56.55 O HETATM 995 O HOH 43 40.802 70.813 40.258 1.00 42.69 O HETATM 996 O HOH 44 24.222 57.228 26.119 1.00 38.73 O HETATM 997 O HOH 45 28.416 40.835 22.579 1.00 47.59 O HETATM 998 O HOH 46 38.122 49.306 35.660 1.00 47.28 O HETATM 999 O HOH 47 30.431 38.792 23.872 1.00 49.31 O HETATM 1000 O HOH 48 33.734 56.890 23.960 1.00 49.33 O HETATM 1001 O HOH 49 38.200 46.295 35.437 1.00 56.37 O HETATM 1002 O HOH 50 30.960 46.815 25.150 1.00 52.44 O HETATM 1003 O HOH 51 30.228 65.160 20.342 1.00 45.79 O HETATM 1004 O HOH 52 41.682 74.867 26.274 1.00 34.28 O HETATM 1005 O HOH 53 22.108 53.275 31.826 1.00 42.00 O HETATM 1006 O HOH 54 36.858 36.858 36.858 1.00 56.11 O HETATM 1007 O HOH 55 35.361 77.704 30.086 1.00 48.70 O HETATM 1008 O HOH 56 35.134 45.028 25.239 1.00 46.63 O HETATM 1009 O HOH 57 30.446 63.291 40.304 1.00 49.32 O HETATM 1010 O HOH 58 39.357 53.893 40.538 1.00 47.63 O HETATM 1011 O HOH 59 38.113 61.349 42.035 1.00 49.16 O HETATM 1012 O HOH 60 50.984 77.673 28.645 1.00 53.94 O HETATM 1013 O HOH 61 29.532 45.983 27.250 1.00 49.84 O HETATM 1014 O HOH 62 26.834 72.026 24.754 1.00 42.93 O HETATM 1015 O HOH 63 31.742 54.597 23.835 1.00 44.35 O HETATM 1016 O HOH 64 48.314 74.768 29.124 1.00 52.11 O HETATM 1017 O HOH 65 33.336 46.583 25.221 1.00 45.43 O HETATM 1018 O HOH 66 33.579 43.805 36.772 1.00 47.03 O HETATM 1019 O HOH 67 39.134 50.335 31.984 1.00 55.75 O HETATM 1020 O HOH 68 24.546 67.081 22.904 1.00 48.30 O HETATM 1021 O HOH 69 24.526 58.408 33.135 1.00 49.04 O HETATM 1022 O HOH 70 30.980 42.101 19.923 1.00 45.93 O HETATM 1023 O HOH 71 33.388 61.849 19.855 1.00 59.05 O HETATM 1024 O HOH 72 21.671 65.406 31.712 1.00 55.34 O HETATM 1025 O HOH 73 42.477 75.148 37.871 1.00 53.31 O HETATM 1026 O HOH 74 38.866 38.283 36.792 1.00 43.34 O HETATM 1027 O HOH 75 27.943 64.574 20.864 1.00 43.69 O HETATM 1028 O HOH 76 48.893 60.102 25.145 1.00 57.12 O HETATM 1029 O HOH 77 33.982 70.282 41.132 1.00 47.41 O HETATM 1030 O HOH 78 31.670 71.398 41.182 1.00 56.02 O HETATM 1031 O HOH 79 52.499 76.790 23.577 1.00 46.65 O HETATM 1032 O HOH 80 37.635 51.136 40.970 1.00 43.06 O HETATM 1033 O HOH 81 53.619 77.179 26.709 1.00 39.81 O HETATM 1034 O HOH 82 50.263 77.433 31.318 1.00 47.87 O HETATM 1035 O HOH 83 37.612 79.284 29.443 1.00 44.59 O HETATM 1036 O HOH 84 26.123 70.871 26.727 1.00 53.26 O HETATM 1037 O HOH 85 39.022 53.197 33.933 1.00 46.97 O HETATM 1038 O HOH 86 56.532 71.676 24.900 1.00 47.25 O HETATM 1039 O HOH 87 33.808 50.375 19.554 1.00 55.04 O HETATM 1040 O HOH 88 49.054 59.350 27.175 1.00 43.61 O HETATM 1041 O HOH 89 37.206 52.030 37.897 1.00 46.36 O HETATM 1042 O HOH 90 47.718 60.696 21.924 1.00 55.89 O HETATM 1043 O HOH 91 34.288 55.130 25.976 1.00 45.78 O HETATM 1044 O HOH 92 51.196 73.781 24.721 1.00 58.27 O HETATM 1045 O HOH 93 26.439 67.251 20.406 1.00 60.25 O HETATM 1046 O HOH 94 50.498 62.886 44.248 1.00 69.47 O HETATM 1047 O HOH 95 26.966 68.222 36.404 1.00 53.01 O HETATM 1048 O HOH 96 35.454 80.428 26.883 1.00 50.99 O HETATM 1049 O HOH 97 30.597 48.846 24.073 1.00 63.15 O HETATM 1050 O HOH 98 36.913 78.435 32.938 1.00 43.49 O HETATM 1051 O HOH 99 42.653 70.405 24.182 1.00 49.19 O HETATM 1052 O HOH 100 35.089 70.651 22.417 1.00 40.27 O HETATM 1053 O HOH 101 42.405 78.642 28.213 1.00 54.24 O HETATM 1054 O HOH 102 47.310 76.296 30.121 1.00 38.00 O HETATM 1055 O HOH 103 50.798 76.338 25.957 1.00 62.21 O HETATM 1056 O HOH 104 34.175 72.248 37.923 1.00 48.46 O HETATM 1057 O HOH 105 29.099 42.066 32.800 1.00 57.09 O HETATM 1058 O HOH 106 30.663 41.586 35.208 1.00 57.16 O HETATM 1059 N MET A 107 45.065 55.194 37.214 1.00 0.24 N HETATM 1060 CA MET A 107 44.158 56.267 36.817 1.00 0.07 C HETATM 1061 C MET A 107 44.557 56.917 35.494 1.00 0.23 C HETATM 1062 O MET A 107 45.729 56.946 35.125 1.00 -0.39 O HETATM 1063 N MET A 107 43.568 57.453 34.789 1.00 -0.26 N HETATM 1064 CA MET A 107 43.818 58.180 33.553 1.00 0.13 C HETATM 1065 C MET A 107 44.163 59.646 33.849 1.00 0.21 C HETATM 1066 O MET A 107 43.763 60.186 34.882 1.00 -0.39 O HETATM 1067 N MET A 107 44.904 60.299 32.936 1.00 -0.25 N HETATM 1068 CA MET A 107 45.469 59.686 31.728 1.00 0.13 C HETATM 1069 C MET A 107 46.674 58.813 32.059 1.00 0.20 C HETATM 1070 O MET A 107 47.339 59.047 33.069 1.00 -0.39 O HETATM 1071 N MET A 107 46.915 57.798 31.235 1.00 -0.26 N HETATM 1072 CA MET A 107 48.041 56.895 31.429 1.00 0.14 C HETATM 1073 C MET A 107 49.331 57.597 31.015 1.00 0.21 C HETATM 1074 O MET A 107 49.629 57.694 29.825 1.00 -0.39 O HETATM 1075 N MET A 107 50.083 58.098 31.993 1.00 -0.27 N HETATM 1076 CA MET A 107 51.407 58.660 31.726 1.00 0.10 C HETATM 1077 C MET A 107 52.485 57.849 32.432 1.00 0.06 C HETATM 1078 O MET A 107 53.194 57.073 31.800 1.00 -0.57 O HETATM 1079 OXT MET A 107 52.657 57.962 33.641 1.00 -0.57 O HETATM 1080 CB MET A 107 51.542 60.125 32.180 1.00 -0.01 C HETATM 1081 CG1 MET A 107 50.579 61.027 31.416 1.00 -0.05 C HETATM 1082 CD1 MET A 107 49.435 61.494 32.253 1.00 -0.06 C HETATM 1083 H49 MET A 107 48.778 62.138 31.650 1.00 0.02 H HETATM 1084 H50 MET A 107 49.818 62.064 33.112 1.00 0.02 H HETATM 1085 H51 MET A 107 48.866 60.625 32.614 1.00 0.02 H HETATM 1086 H44 MET A 107 50.180 60.468 30.557 1.00 0.03 H HETATM 1087 H45 MET A 107 51.133 61.907 31.056 1.00 0.03 H HETATM 1088 CG2 MET A 107 52.956 60.607 31.970 1.00 -0.06 C HETATM 1089 H46 MET A 107 53.651 59.956 32.521 1.00 0.02 H HETATM 1090 H47 MET A 107 53.050 61.639 32.338 1.00 0.02 H HETATM 1091 H48 MET A 107 53.198 60.577 30.897 1.00 0.02 H HETATM 1092 H43 MET A 107 51.303 60.182 33.252 1.00 0.03 H HETATM 1093 H42 MET A 107 51.581 58.615 30.641 1.00 0.07 H HETATM 1094 H41 MET A 107 49.735 58.090 32.931 1.00 0.19 H HETATM 1095 CB MET A 107 47.869 55.617 30.594 1.00 0.02 C HETATM 1096 CG MET A 107 46.595 54.860 30.873 1.00 -0.04 C HETATM 1097 CD1 MET A 107 45.992 54.908 32.120 1.00 -0.06 C HETATM 1098 CE1 MET A 107 44.824 54.210 32.367 1.00 -0.07 C HETATM 1099 CZ MET A 107 44.247 53.452 31.367 1.00 -0.07 C HETATM 1100 CE2 MET A 107 44.837 53.393 30.121 1.00 -0.07 C HETATM 1101 CD2 MET A 107 46.004 54.092 29.879 1.00 -0.06 C HETATM 1102 H37 MET A 107 46.465 54.040 28.899 1.00 0.06 H HETATM 1103 H39 MET A 107 44.386 52.800 29.334 1.00 0.06 H HETATM 1104 H40 MET A 107 43.332 52.904 31.561 1.00 0.06 H HETATM 1105 H38 MET A 107 44.361 54.258 33.346 1.00 0.06 H HETATM 1106 H36 MET A 107 46.441 55.499 32.910 1.00 0.06 H HETATM 1107 H34 MET A 107 48.719 54.951 30.805 1.00 0.05 H HETATM 1108 H35 MET A 107 47.877 55.897 29.530 1.00 0.05 H HETATM 1109 H33 MET A 107 48.101 56.622 32.493 1.00 0.08 H HETATM 1110 H32 MET A 107 46.304 57.650 30.457 1.00 0.19 H HETATM 1111 CB MET A 107 45.870 60.893 30.871 1.00 -0.01 C HETATM 1112 CG MET A 107 46.052 62.004 31.835 1.00 -0.03 C HETATM 1113 CD MET A 107 45.095 61.760 32.960 1.00 0.04 C HETATM 1114 H30 MET A 107 45.524 62.085 33.919 1.00 0.05 H HETATM 1115 H31 MET A 107 44.143 62.284 32.788 1.00 0.05 H HETATM 1116 H28 MET A 107 45.830 62.966 31.351 1.00 0.03 H HETATM 1117 H29 MET A 107 47.085 62.013 32.212 1.00 0.03 H HETATM 1118 H26 MET A 107 45.077 61.135 30.148 1.00 0.03 H HETATM 1119 H27 MET A 107 46.808 60.691 30.333 1.00 0.03 H HETATM 1120 H25 MET A 107 44.713 59.076 31.211 1.00 0.08 H HETATM 1121 CB MET A 107 42.589 58.088 32.646 1.00 -0.01 C HETATM 1122 CG MET A 107 42.262 56.681 32.202 1.00 -0.04 C HETATM 1123 CD MET A 107 40.821 56.586 31.734 1.00 -0.01 C HETATM 1124 CE MET A 107 40.557 55.253 31.069 1.00 -0.04 C HETATM 1125 NZ MET A 107 39.198 55.237 30.478 1.00 0.22 N HETATM 1126 H22 MET A 107 39.033 54.345 30.038 1.00 0.20 H HETATM 1127 H23 MET A 107 39.122 55.970 29.790 1.00 0.20 H HETATM 1128 H24 MET A 107 38.514 55.385 31.204 1.00 0.20 H HETATM 1129 H20 MET A 107 40.637 54.451 31.818 1.00 0.08 H HETATM 1130 H21 MET A 107 41.300 55.089 30.275 1.00 0.08 H HETATM 1131 H18 MET A 107 40.622 57.394 31.014 1.00 0.03 H HETATM 1132 H19 MET A 107 40.153 56.695 32.601 1.00 0.03 H HETATM 1133 H16 MET A 107 42.413 55.992 33.046 1.00 0.03 H HETATM 1134 H17 MET A 107 42.929 56.399 31.374 1.00 0.03 H HETATM 1135 H14 MET A 107 42.772 58.700 31.751 1.00 0.03 H HETATM 1136 H15 MET A 107 41.723 58.489 33.194 1.00 0.03 H HETATM 1137 H13 MET A 107 44.672 57.717 33.038 1.00 0.08 H HETATM 1138 H12 MET A 107 42.628 57.355 35.115 1.00 0.19 H HETATM 1139 CB MET A 107 44.072 57.343 37.905 1.00 0.02 C HETATM 1140 CG MET A 107 43.314 56.921 39.155 1.00 0.00 C HETATM 1141 SD MET A 107 42.787 58.340 40.140 1.00 -0.16 S HETATM 1142 CE MET A 107 42.157 57.534 41.616 1.00 -0.02 C HETATM 1143 H9 MET A 107 41.793 58.295 42.322 1.00 0.03 H HETATM 1144 H10 MET A 107 42.962 56.951 42.087 1.00 0.03 H HETATM 1145 H11 MET A 107 41.330 56.862 41.342 1.00 0.03 H HETATM 1146 H7 MET A 107 43.969 56.286 39.770 1.00 0.04 H HETATM 1147 H8 MET A 107 42.425 56.348 38.854 1.00 0.04 H HETATM 1148 H5 MET A 107 43.568 58.223 37.478 1.00 0.04 H HETATM 1149 H6 MET A 107 45.096 57.615 38.200 1.00 0.04 H HETATM 1150 H4 MET A 107 43.158 55.826 36.689 1.00 0.11 H HETATM 1151 H1 MET A 107 44.757 54.801 38.090 1.00 0.20 H HETATM 1152 H2 MET A 107 45.997 55.564 37.321 1.00 0.20 H HETATM 1153 H3 MET A 107 45.067 54.477 36.506 1.00 0.20 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 162 161 957 CONECT 312 311 956 CONECT 343 342 956 CONECT 471 470 954 CONECT 472 470 954 CONECT 492 491 955 CONECT 587 588 595 596 597 CONECT 595 587 CONECT 596 587 CONECT 597 587 CONECT 954 471 472 CONECT 955 492 CONECT 956 312 343 CONECT 957 162 CONECT 1059 1060 1151 1152 1153 CONECT 1060 1059 1061 1139 1150 CONECT 1061 1060 1062 1063 CONECT 1062 1061 CONECT 1063 1061 1064 1138 CONECT 1064 1063 1065 1121 1137 CONECT 1065 1064 1066 1067 CONECT 1066 1065 CONECT 1067 1065 1068 1113 CONECT 1068 1067 1069 1111 1120 CONECT 1069 1068 1070 1071 CONECT 1070 1069 CONECT 1071 1069 1072 1110 CONECT 1072 1071 1073 1095 1109 CONECT 1073 1072 1074 1075 CONECT 1074 1073 CONECT 1075 1073 1076 1094 CONECT 1076 1075 1077 1080 1093 CONECT 1077 1076 1078 1079 CONECT 1078 1077 CONECT 1079 1077 CONECT 1080 1076 1081 1088 1092 CONECT 1081 1080 1082 1086 1087 CONECT 1082 1081 1083 1084 1085 CONECT 1083 1082 CONECT 1084 1082 CONECT 1085 1082 CONECT 1086 1081 CONECT 1087 1081 CONECT 1088 1080 1089 1090 1091 CONECT 1089 1088 CONECT 1090 1088 CONECT 1091 1088 CONECT 1092 1080 CONECT 1093 1076 CONECT 1094 1075 CONECT 1095 1072 1096 1107 1108 CONECT 1096 1095 1097 1101 CONECT 1097 1096 1098 1106 CONECT 1098 1097 1099 1105 CONECT 1099 1098 1100 1104 CONECT 1100 1099 1101 1103 CONECT 1101 1096 1100 1102 CONECT 1102 1101 CONECT 1103 1100 CONECT 1104 1099 CONECT 1105 1098 CONECT 1106 1097 CONECT 1107 1095 CONECT 1108 1095 CONECT 1109 1072 CONECT 1110 1071 CONECT 1111 1068 1112 1118 1119 CONECT 1112 1111 1113 1116 1117 CONECT 1113 1067 1112 1114 1115 CONECT 1114 1113 CONECT 1115 1113 CONECT 1116 1112 CONECT 1117 1112 CONECT 1118 1111 CONECT 1119 1111 CONECT 1120 1068 CONECT 1121 1064 1122 1135 1136 CONECT 1122 1121 1123 1133 1134 CONECT 1123 1122 1124 1131 1132 CONECT 1124 1123 1125 1129 1130 CONECT 1125 1124 1126 1127 1128 CONECT 1126 1125 CONECT 1127 1125 CONECT 1128 1125 CONECT 1129 1124 CONECT 1130 1124 CONECT 1131 1123 CONECT 1132 1123 CONECT 1133 1122 CONECT 1134 1122 CONECT 1135 1121 CONECT 1136 1121 CONECT 1137 1064 CONECT 1138 1063 CONECT 1139 1060 1140 1148 1149 CONECT 1140 1139 1141 1146 1147 CONECT 1141 1140 1142 CONECT 1142 1141 1143 1144 1145 CONECT 1143 1142 CONECT 1144 1142 CONECT 1145 1142 CONECT 1146 1140 CONECT 1147 1140 CONECT 1148 1139 CONECT 1149 1139 CONECT 1150 1060 CONECT 1151 1059 CONECT 1152 1059 CONECT 1153 1059 MASTER 0 0 0 0 0 0 0 0 1151 2 113 8 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 4odp
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4odl
RCSB PDB
PDBbind
16aa, >4ODL_2|Chains... *
4odm
RCSB PDB
PDBbind
16aa, >4ODM_2|Chains... at 93%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1bxl
RCSB PDB
PDBbind
16-mer
1dpu
RCSB PDB
PDBbind
16-mer
1dxp
RCSB PDB
PDBbind
16-mer
1g1e
RCSB PDB
PDBbind
16-mer
1j19
RCSB PDB
PDBbind
16-mer
1ok7
RCSB PDB
PDBbind
16-mer
1pmx
RCSB PDB
PDBbind
16-mer
1r17
RCSB PDB
PDBbind
16-mer
1s5q
RCSB PDB
PDBbind
16-mer
1sje
RCSB PDB
PDBbind
16-mer
1t2v
RCSB PDB
PDBbind
16-mer
1u8t
RCSB PDB
PDBbind
16-mer
1uti
RCSB PDB
PDBbind
16-mer
1vyj
RCSB PDB
PDBbind
16-mer
1y3a
RCSB PDB
PDBbind
16-mer
2b2v
RCSB PDB
PDBbind
16-mer
2flu
RCSB PDB
PDBbind
16-mer
2fx7
RCSB PDB
PDBbind
16-mer
2gph
RCSB PDB
PDBbind
16-mer
2ivz
RCSB PDB
PDBbind
16-mer
2k3w
RCSB PDB
PDBbind
16-mer
2koh
RCSB PDB
PDBbind
16-mer
2kvm
RCSB PDB
PDBbind
16-mer
2lcs
RCSB PDB
PDBbind
16-mer
2lsk
RCSB PDB
PDBbind
16-mer
2lsr
RCSB PDB
PDBbind
16-mer
2mg5
RCSB PDB
PDBbind
16-mer
2mpm
RCSB PDB
PDBbind
16-mer
2mps
RCSB PDB
PDBbind
16-mer
2n1g
RCSB PDB
PDBbind
16-mer
3eht
RCSB PDB
PDBbind
16-mer
3g5v
RCSB PDB
PDBbind
16-mer
3g5y
RCSB PDB
PDBbind
16-mer
3g7l
RCSB PDB
PDBbind
16-mer
3k48
RCSB PDB
PDBbind
16-mer
3nfl
RCSB PDB
PDBbind
16-mer
3oe0
RCSB PDB
PDBbind
16-mer
3tdu
RCSB PDB
PDBbind
16-mer
3twr
RCSB PDB
PDBbind
16-mer
3tws
RCSB PDB
PDBbind
16-mer
3twu
RCSB PDB
PDBbind
16-mer
3twv
RCSB PDB
PDBbind
16-mer
3tww
RCSB PDB
PDBbind
16-mer
3twx
RCSB PDB
PDBbind
16-mer
3v3b
RCSB PDB
PDBbind
16-mer
3zqi
RCSB PDB
PDBbind
16-mer
4a2a
RCSB PDB
PDBbind
16-mer
4a7j
RCSB PDB
PDBbind
16-mer
4edu
RCSB PDB
PDBbind
16-mer
4hs6
RCSB PDB
PDBbind
16-mer
4hs8
RCSB PDB
PDBbind
16-mer
4is6
RCSB PDB
PDBbind
16-mer
4j8r
RCSB PDB
PDBbind
16-mer
4l3o
RCSB PDB
PDBbind
16-mer
4nuf
RCSB PDB
PDBbind
16-mer
4odk
RCSB PDB
PDBbind
16-mer
4odl
RCSB PDB
PDBbind
16-mer
4odm
RCSB PDB
PDBbind
16-mer
4odq
RCSB PDB
PDBbind
16-mer
4pz5
RCSB PDB
PDBbind
16-mer
4qq4
RCSB PDB
PDBbind
16-mer
4tzm
RCSB PDB
PDBbind
16-mer
4tzn
RCSB PDB
PDBbind
16-mer
4u2w
RCSB PDB
PDBbind
16-mer
4ud7
RCSB PDB
PDBbind
16-mer
4ue1
RCSB PDB
PDBbind
16-mer
4wci
RCSB PDB
PDBbind
16-mer
4wy7
RCSB PDB
PDBbind
16-mer
4yhp
RCSB PDB
PDBbind
16-mer
4zdu
RCSB PDB
PDBbind
16-mer
5eta
RCSB PDB
PDBbind
16-mer
5hhx
RCSB PDB
PDBbind
16-mer
5iay
RCSB PDB
PDBbind
16-mer
5icx
RCSB PDB
PDBbind
16-mer
5iy4
RCSB PDB
PDBbind
16-mer
5klr
RCSB PDB
PDBbind
16-mer
5klt
RCSB PDB
PDBbind
16-mer
5lvf
RCSB PDB
PDBbind
16-mer
5ly3
RCSB PDB
PDBbind
16-mer
5m9d
RCSB PDB
PDBbind
16-mer
5myk
RCSB PDB
PDBbind
16-mer
5myx
RCSB PDB
PDBbind
16-mer
5nin
RCSB PDB
PDBbind
16-mer
5njx
RCSB PDB
PDBbind
16-mer
5o4y
RCSB PDB
PDBbind
16-mer
5u2j
RCSB PDB
PDBbind
16-mer
5v1y
RCSB PDB
PDBbind
16-mer
5v6y
RCSB PDB
PDBbind
16-mer
5wa4
RCSB PDB
PDBbind
16-mer
5wbl
RCSB PDB
PDBbind
16-mer
5wqd
RCSB PDB
PDBbind
16-mer
5y7w
RCSB PDB
PDBbind
16-mer
6bhi
RCSB PDB
PDBbind
16-mer
6g84
RCSB PDB
PDBbind
16-mer
6g85
RCSB PDB
PDBbind
16-mer
6g86
RCSB PDB
PDBbind
16-mer
6h0b
RCSB PDB
PDBbind
16-mer
6qsz
RCSB PDB
PDBbind
16-mer
6pi7
RCSB PDB
PDBbind
16-mer
6me1
RCSB PDB
PDBbind
16-mer
6d08
RCSB PDB
PDBbind
16-mer
6d07
RCSB PDB
PDBbind
16-mer
5zml
RCSB PDB
PDBbind
16-mer
5w4e
RCSB PDB
PDBbind
16-mer
6tyz
RCSB PDB
PDBbind
16-mer
Entry Information
PDB ID
4odp
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
FKBP peptidyl-prolyl isomerase SlyD
Ligand Name
16-mer
EC.Number
E.C.-.-.-.-
Resolution
1.75(Å)
Affinity (Kd/Ki/IC50)
Kd=17.06uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) BMC Biol. Vol. 14: pp. 82-82
Ligand Properties
Formula
C
3
1
H
5
2
N
6
O
6
S
Molecular Weight
636.846
Exact Mass
636.367
No. of atoms
96
No. of bonds
97
Polar Surface Area
225.49
LOGP Value
0.49 (
Computed with XLOGP3
)
0.69 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 22
No. of Nitrogen and Oxygen Atoms: 12
No. of Rings: 2
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)O)Cc1ccccc1)NC(=O)[C@H](CCSC)[NH3+]
InChI String
InChI=1S/C31H50N6O6S/c1-4-20(2)26(31(42)43)36-28(39)24(19-21-11-6-5-7-12-21)35-29(40)25-14-10-17-37(25)30(41)23(13-8-9-16-32)34-27(38)22(33)15-18-44-3/h5-7,11-12,20,22-26H,4,8-10,13-19,32-33H2,1-3H3,(H,34,38)(H,35,40)(H,36,39)(H,42,43)/p+2/t20-,22-,23-,24-,25-,26-/m0/s1
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):
P0A7V0
Q5SLE7
P62942
Entrez Gene ID
NCBI Entrez Gene ID:
61734010
947874
3168679
2280
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com
times since Nov 2007. 
娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓