Browse entries in the PDBbind-CN Database
HEADER 5IER_COMPLEX COMPND 5IER_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 131 GLN SER PRO ALA LEU ILE ALA SER GLN SER LEU TRP ARG SEQRES 2 A 131 CYS THR GLN ALA HIS ASP ARG GLU GLY TRP LEU ALA LEU SEQRES 3 A 131 MET ALA ASP ASP VAL VAL ILE GLU THR PRO ILE GLY LYS SEQRES 4 A 131 SER VAL THR ASN PRO ASP GLY SER GLY ILE LYS GLY LYS SEQRES 5 A 131 GLU ALA VAL GLY ALA PHE PHE ASP THR HIS ILE ALA ALA SEQRES 6 A 131 THR ARG LEU THR VAL THR CYS GLU GLU THR PHE PRO SER SEQRES 7 A 131 SER SER PRO ASP GLU ILE ALA HIS ILE LEU VAL ALA HIS SEQRES 8 A 131 SER GLU PHE ASP GLY GLY PHE THR SER GLU VAL ARG GLY SEQRES 9 A 131 VAL PHE THR TYR ARG VAL ASN LYS ALA GLY LEU ILE THR SEQRES 10 A 131 ASN LEU ARG GLY TYR TRP ASN LEU ASP MET MET THR PHE SEQRES 11 A 131 GLY HET NA A 1 1 HET NA A 2 1 HET UNN A 214 54 ATOM 1 N GLN A 2 -48.385 31.643 37.992 1.00 55.18 N ATOM 2 CA GLN A 2 -47.934 30.298 38.329 1.00 52.07 C ATOM 3 C GLN A 2 -49.042 29.489 39.001 1.00 51.14 C ATOM 4 O GLN A 2 -49.539 29.863 40.064 1.00 58.19 O ATOM 5 CB GLN A 2 -46.706 30.359 39.242 1.00 57.08 C ATOM 6 CG GLN A 2 -45.429 30.809 38.548 1.00 69.34 C ATOM 7 CD GLN A 2 -44.212 30.030 39.011 1.00 72.10 C ATOM 8 HN3 GLN A 2 -48.675 32.138 38.860 1.00 0.00 H ATOM 9 HN2 GLN A 2 -49.192 31.583 37.339 1.00 0.00 H ATOM 10 HN1 GLN A 2 -47.608 32.164 37.538 1.00 0.00 H ATOM 11 N SER A 3 -49.417 28.375 38.379 1.00 35.39 N ATOM 12 CA SER A 3 -50.457 27.503 38.920 1.00 30.41 C ATOM 13 C SER A 3 -49.939 26.767 40.155 1.00 24.34 C ATOM 14 O SER A 3 -48.728 26.687 40.366 1.00 24.81 O ATOM 15 CB SER A 3 -50.920 26.499 37.860 1.00 35.47 C ATOM 16 OG SER A 3 -49.934 25.500 37.638 1.00 30.77 O ATOM 17 HG SER A 3 -50.258 24.866 36.950 1.00 0.00 H ATOM 18 H SER A 3 -48.957 28.117 37.482 1.00 0.00 H ATOM 19 N PRO A 4 -50.853 26.230 40.982 1.00 20.45 N ATOM 20 CA PRO A 4 -50.447 25.416 42.134 1.00 28.09 C ATOM 21 C PRO A 4 -49.596 24.216 41.719 1.00 24.49 C ATOM 22 O PRO A 4 -48.655 23.855 42.425 1.00 21.44 O ATOM 23 CB PRO A 4 -51.785 24.960 42.734 1.00 26.33 C ATOM 24 CG PRO A 4 -52.771 25.976 42.279 1.00 30.12 C ATOM 25 CD PRO A 4 -52.315 26.394 40.917 1.00 29.68 C ATOM 26 N ALA A 5 -49.924 23.619 40.577 1.00 23.70 N ATOM 27 CA ALA A 5 -49.199 22.451 40.084 1.00 23.48 C ATOM 28 C ALA A 5 -47.774 22.816 39.683 1.00 23.08 C ATOM 29 O ALA A 5 -46.830 22.092 39.991 1.00 23.18 O ATOM 30 CB ALA A 5 -49.935 21.829 38.906 1.00 25.43 C ATOM 31 H ALA A 5 -50.718 23.994 40.020 1.00 0.00 H ATOM 32 N LEU A 6 -47.622 23.939 38.990 1.00 21.76 N ATOM 33 CA LEU A 6 -46.305 24.380 38.543 1.00 23.02 C ATOM 34 C LEU A 6 -45.414 24.736 39.727 1.00 23.60 C ATOM 35 O LEU A 6 -44.264 24.307 39.793 1.00 23.08 O ATOM 36 CB LEU A 6 -46.426 25.578 37.600 1.00 22.05 C ATOM 37 CG LEU A 6 -45.106 26.149 37.071 1.00 25.44 C ATOM 38 CD1 LEU A 6 -44.311 25.091 36.317 1.00 23.87 C ATOM 39 CD2 LEU A 6 -45.363 27.357 36.179 1.00 33.17 C ATOM 40 H LEU A 6 -48.457 24.515 38.762 1.00 0.00 H ATOM 41 N ILE A 7 -45.947 25.522 40.659 1.00 24.29 N ATOM 42 CA ILE A 7 -45.200 25.919 41.851 1.00 23.71 C ATOM 43 C ILE A 7 -44.753 24.702 42.654 1.00 21.78 C ATOM 44 O ILE A 7 -43.643 24.668 43.186 1.00 23.67 O ATOM 45 CB ILE A 7 -46.041 26.840 42.759 1.00 33.52 C ATOM 46 CG1 ILE A 7 -46.356 28.148 42.031 1.00 44.51 C ATOM 47 CG2 ILE A 7 -45.305 27.135 44.066 1.00 42.05 C ATOM 48 CD1 ILE A 7 -47.432 28.984 42.698 1.00 52.96 C ATOM 49 H ILE A 7 -46.922 25.863 40.536 1.00 0.00 H ATOM 50 N ALA A 8 -45.630 23.709 42.747 1.00 19.68 N ATOM 51 CA ALA A 8 -45.337 22.499 43.501 1.00 21.94 C ATOM 52 C ALA A 8 -44.222 21.695 42.838 1.00 24.96 C ATOM 53 O ALA A 8 -43.324 21.193 43.514 1.00 21.84 O ATOM 54 CB ALA A 8 -46.589 21.649 43.642 1.00 23.16 C ATOM 55 H ALA A 8 -46.549 23.798 42.269 1.00 0.00 H ATOM 56 N SER A 9 -44.280 21.574 41.516 1.00 22.85 N ATOM 57 CA SER A 9 -43.289 20.786 40.790 1.00 20.62 C ATOM 58 C SER A 9 -41.925 21.470 40.833 1.00 21.62 C ATOM 59 O SER A 9 -40.907 20.817 41.053 1.00 23.39 O ATOM 60 CB SER A 9 -43.730 20.558 39.340 1.00 26.38 C ATOM 61 OG SER A 9 -43.809 21.774 38.620 1.00 26.33 O ATOM 62 HG SER A 9 -44.466 22.372 39.056 1.00 0.00 H ATOM 63 H SER A 9 -45.043 22.048 40.991 1.00 0.00 H ATOM 64 N GLN A 10 -41.907 22.784 40.634 1.00 19.39 N ATOM 65 CA GLN A 10 -40.660 23.543 40.683 1.00 26.05 C ATOM 66 C GLN A 10 -40.038 23.499 42.076 1.00 23.82 C ATOM 67 O GLN A 10 -38.824 23.360 42.219 1.00 24.71 O ATOM 68 CB GLN A 10 -40.894 24.996 40.267 1.00 24.91 C ATOM 69 CG GLN A 10 -41.163 25.185 38.787 1.00 30.88 C ATOM 70 CD GLN A 10 -41.388 26.637 38.421 1.00 38.48 C ATOM 71 OE1 GLN A 10 -41.940 27.408 39.205 1.00 39.41 O ATOM 72 NE2 GLN A 10 -40.952 27.019 37.227 1.00 42.07 N ATOM 73 HE22 GLN A 10 -40.491 26.332 36.597 1.00 0.00 H ATOM 74 HE21 GLN A 10 -41.071 28.006 36.921 1.00 0.00 H ATOM 75 H GLN A 10 -42.799 23.282 40.439 1.00 0.00 H ATOM 76 N SER A 11 -40.875 23.620 43.102 1.00 24.82 N ATOM 77 CA SER A 11 -40.398 23.586 44.479 1.00 20.71 C ATOM 78 C SER A 11 -39.798 22.223 44.806 1.00 23.19 C ATOM 79 O SER A 11 -38.809 22.129 45.529 1.00 23.76 O ATOM 80 CB SER A 11 -41.534 23.908 45.453 1.00 23.69 C ATOM 81 OG SER A 11 -42.022 25.224 45.250 1.00 23.38 O ATOM 82 HG SER A 11 -42.364 25.309 44.325 1.00 0.00 H ATOM 83 H SER A 11 -41.891 23.741 42.918 1.00 0.00 H ATOM 84 N LEU A 12 -40.395 21.166 44.267 1.00 18.68 N ATOM 85 CA LEU A 12 -39.906 19.820 44.526 1.00 22.95 C ATOM 86 C LEU A 12 -38.533 19.598 43.886 1.00 21.81 C ATOM 87 O LEU A 12 -37.687 18.911 44.458 1.00 24.43 O ATOM 88 CB LEU A 12 -40.906 18.780 44.015 1.00 24.99 C ATOM 89 CG LEU A 12 -40.714 17.354 44.540 1.00 26.83 C ATOM 90 CD1 LEU A 12 -40.876 17.290 46.057 1.00 27.54 C ATOM 91 CD2 LEU A 12 -41.688 16.398 43.867 1.00 28.70 C ATOM 92 H LEU A 12 -41.223 21.302 43.652 1.00 0.00 H ATOM 93 N TRP A 13 -38.313 20.176 42.707 1.00 19.91 N ATOM 94 CA TRP A 13 -37.002 20.099 42.058 1.00 24.07 C ATOM 95 C TRP A 13 -35.932 20.742 42.929 1.00 23.51 C ATOM 96 O TRP A 13 -34.856 20.182 43.131 1.00 26.63 O ATOM 97 CB TRP A 13 -37.005 20.799 40.698 1.00 27.56 C ATOM 98 CG TRP A 13 -38.036 20.323 39.736 1.00 24.60 C ATOM 99 CD1 TRP A 13 -38.704 19.134 39.760 1.00 30.29 C ATOM 100 CD2 TRP A 13 -38.523 21.035 38.594 1.00 20.55 C ATOM 101 NE1 TRP A 13 -39.579 19.063 38.701 1.00 27.04 N ATOM 102 CE2 TRP A 13 -39.486 20.219 37.971 1.00 20.80 C ATOM 103 CE3 TRP A 13 -38.238 22.287 38.039 1.00 26.46 C ATOM 104 CZ2 TRP A 13 -40.168 20.614 36.823 1.00 27.80 C ATOM 105 CZ3 TRP A 13 -38.915 22.676 36.897 1.00 28.44 C ATOM 106 CH2 TRP A 13 -39.868 21.842 36.302 1.00 25.77 C ATOM 107 HE1 TRP A 13 -40.208 18.263 38.489 1.00 0.00 H ATOM 108 H TRP A 13 -39.085 20.691 42.239 1.00 0.00 H ATOM 109 N ARG A 14 -36.239 21.936 43.424 1.00 24.98 N ATOM 110 CA ARG A 14 -35.302 22.707 44.229 1.00 23.91 C ATOM 111 C ARG A 14 -34.954 21.979 45.520 1.00 24.55 C ATOM 112 O ARG A 14 -33.782 21.872 45.883 1.00 25.63 O ATOM 113 CB ARG A 14 -35.889 24.086 44.532 1.00 20.64 C ATOM 114 CG ARG A 14 -36.044 24.947 43.292 1.00 26.32 C ATOM 115 CD ARG A 14 -37.080 26.037 43.466 1.00 28.02 C ATOM 116 NE ARG A 14 -37.295 26.759 42.214 1.00 23.88 N ATOM 117 CZ ARG A 14 -38.334 27.551 41.969 1.00 32.85 C ATOM 118 NH1 ARG A 14 -38.437 28.161 40.796 1.00 28.86 N ATOM 119 NH2 ARG A 14 -39.272 27.733 42.890 1.00 26.19 N ATOM 120 HE ARG A 14 -36.586 26.645 41.462 1.00 0.00 H ATOM 121 HH12 ARG A 14 -39.249 28.781 40.602 1.00 0.00 H ATOM 122 HH11 ARG A 14 -37.706 28.019 40.070 1.00 0.00 H ATOM 123 HH22 ARG A 14 -40.082 28.354 42.691 1.00 0.00 H ATOM 124 HH21 ARG A 14 -39.197 27.255 43.810 1.00 0.00 H ATOM 125 H ARG A 14 -37.180 22.333 43.230 1.00 0.00 H ATOM 126 N CYS A 15 -35.975 21.471 46.205 1.00 24.01 N ATOM 127 CA CYS A 15 -35.767 20.745 47.451 1.00 18.87 C ATOM 128 C CYS A 15 -35.030 19.433 47.213 1.00 23.87 C ATOM 129 O CYS A 15 -34.279 18.972 48.074 1.00 25.85 O ATOM 130 CB CYS A 15 -37.102 20.473 48.146 1.00 25.05 C ATOM 131 SG CYS A 15 -37.880 21.951 48.821 1.00 28.52 S ATOM 132 H CYS A 15 -36.942 21.595 45.843 1.00 0.00 H ATOM 133 N THR A 16 -35.248 18.832 46.047 1.00 23.15 N ATOM 134 CA THR A 16 -34.589 17.577 45.704 1.00 21.11 C ATOM 135 C THR A 16 -33.084 17.774 45.549 1.00 19.10 C ATOM 136 O THR A 16 -32.292 17.062 46.165 1.00 24.14 O ATOM 137 CB THR A 16 -35.159 16.975 44.400 1.00 26.90 C ATOM 138 OG1 THR A 16 -36.532 16.620 44.595 1.00 24.45 O ATOM 139 CG2 THR A 16 -34.385 15.728 43.988 1.00 26.82 C ATOM 140 HG1 THR A 16 -37.049 17.428 44.838 1.00 0.00 H ATOM 141 H THR A 16 -35.902 19.266 45.365 1.00 0.00 H ATOM 142 N GLN A 17 -32.690 18.736 44.722 1.00 20.76 N ATOM 143 CA GLN A 17 -31.273 18.980 44.481 1.00 27.34 C ATOM 144 C GLN A 17 -30.577 19.462 45.750 1.00 32.58 C ATOM 145 O GLN A 17 -29.396 19.193 45.955 1.00 25.08 O ATOM 146 CB GLN A 17 -31.076 20.004 43.362 1.00 28.04 C ATOM 147 CG GLN A 17 -31.579 19.549 42.003 1.00 33.28 C ATOM 148 CD GLN A 17 -31.130 20.443 40.851 1.00 31.72 C ATOM 149 OE1 GLN A 17 -31.431 20.158 39.693 1.00 31.26 O ATOM 150 NE2 GLN A 17 -30.413 21.525 41.159 1.00 34.12 N ATOM 151 HE22 GLN A 17 -30.180 21.729 42.152 1.00 0.00 H ATOM 152 HE21 GLN A 17 -30.087 22.164 40.406 1.00 0.00 H ATOM 153 H GLN A 17 -33.401 19.322 44.240 1.00 0.00 H ATOM 154 N ALA A 18 -31.318 20.169 46.599 1.00 26.40 N ATOM 155 CA ALA A 18 -30.753 20.744 47.816 1.00 26.12 C ATOM 156 C ALA A 18 -30.823 19.781 49.002 1.00 29.82 C ATOM 157 O ALA A 18 -30.453 20.143 50.119 1.00 28.85 O ATOM 158 CB ALA A 18 -31.463 22.044 48.157 1.00 26.94 C ATOM 159 H ALA A 18 -32.326 20.316 46.390 1.00 0.00 H ATOM 160 N HIS A 19 -31.298 18.562 48.759 1.00 23.14 N ATOM 161 CA HIS A 19 -31.437 17.556 49.814 1.00 26.82 C ATOM 162 C HIS A 19 -32.212 18.101 51.013 1.00 30.78 C ATOM 163 O HIS A 19 -31.928 17.757 52.162 1.00 28.35 O ATOM 164 CB HIS A 19 -30.061 17.056 50.266 1.00 33.38 C ATOM 165 CG HIS A 19 -29.318 16.297 49.213 1.00 44.74 C ATOM 166 ND1 HIS A 19 -28.131 15.645 49.465 1.00 57.38 N ATOM 167 CD2 HIS A 19 -29.596 16.083 47.905 1.00 46.22 C ATOM 168 CE1 HIS A 19 -27.707 15.064 48.356 1.00 49.44 C ATOM 169 NE2 HIS A 19 -28.577 15.313 47.396 1.00 48.75 N ATOM 170 H HIS A 19 -31.580 18.316 47.789 1.00 0.00 H ATOM 171 N ASP A 20 -33.190 18.955 50.733 1.00 25.97 N ATOM 172 CA ASP A 20 -33.993 19.593 51.768 1.00 25.83 C ATOM 173 C ASP A 20 -35.142 18.676 52.183 1.00 30.73 C ATOM 174 O ASP A 20 -36.246 18.778 51.652 1.00 24.68 O ATOM 175 CB ASP A 20 -34.520 20.937 51.255 1.00 30.90 C ATOM 176 CG ASP A 20 -35.361 21.676 52.278 1.00 32.85 C ATOM 177 OD1 ASP A 20 -35.436 21.226 53.439 1.00 29.88 O ATOM 178 OD2 ASP A 20 -35.942 22.723 51.915 1.00 33.30 O ATOM 179 H ASP A 20 -33.390 19.177 49.737 1.00 0.00 H ATOM 180 N ARG A 21 -34.877 17.797 53.146 1.00 27.53 N ATOM 181 CA ARG A 21 -35.819 16.738 53.512 1.00 27.51 C ATOM 182 C ARG A 21 -37.176 17.266 53.977 1.00 32.47 C ATOM 183 O ARG A 21 -38.217 16.842 53.473 1.00 27.20 O ATOM 184 CB ARG A 21 -35.223 15.856 54.608 1.00 33.75 C ATOM 185 CG ARG A 21 -35.999 14.569 54.836 1.00 31.42 C ATOM 186 CD ARG A 21 -35.353 13.710 55.909 1.00 39.13 C ATOM 187 NE ARG A 21 -35.906 12.358 55.937 1.00 38.80 N ATOM 188 CZ ARG A 21 -37.030 12.014 56.559 1.00 37.24 C ATOM 189 NH1 ARG A 21 -37.745 12.919 57.214 1.00 35.94 N ATOM 190 NH2 ARG A 21 -37.442 10.755 56.524 1.00 34.59 N ATOM 191 HE ARG A 21 -35.384 11.612 55.435 1.00 0.00 H ATOM 192 HH12 ARG A 21 -38.622 12.639 57.697 1.00 0.00 H ATOM 193 HH11 ARG A 21 -37.428 13.909 57.245 1.00 0.00 H ATOM 194 HH22 ARG A 21 -38.320 10.482 57.009 1.00 0.00 H ATOM 195 HH21 ARG A 21 -36.887 10.040 56.011 1.00 0.00 H ATOM 196 H ARG A 21 -33.972 17.864 53.655 1.00 0.00 H ATOM 197 N GLU A 22 -37.166 18.179 54.942 1.00 28.93 N ATOM 198 CA GLU A 22 -38.410 18.707 55.494 1.00 33.78 C ATOM 199 C GLU A 22 -39.157 19.574 54.483 1.00 25.56 C ATOM 200 O GLU A 22 -40.387 19.563 54.439 1.00 26.72 O ATOM 201 CB GLU A 22 -38.130 19.508 56.766 1.00 39.25 C ATOM 202 CG GLU A 22 -37.489 18.686 57.875 1.00 53.68 C ATOM 203 CD GLU A 22 -38.287 17.438 58.211 1.00 81.71 C ATOM 204 OE1 GLU A 22 -39.508 17.558 58.450 1.00 75.80 O ATOM 205 OE2 GLU A 22 -37.695 16.337 58.222 1.00 60.26 O ATOM 206 H GLU A 22 -36.256 18.523 55.310 1.00 0.00 H ATOM 207 N GLY A 23 -38.416 20.321 53.672 1.00 23.37 N ATOM 208 CA GLY A 23 -39.021 21.127 52.628 1.00 25.35 C ATOM 209 C GLY A 23 -39.634 20.243 51.557 1.00 26.18 C ATOM 210 O GLY A 23 -40.692 20.548 51.010 1.00 25.36 O ATOM 211 H GLY A 23 -37.382 20.328 53.788 1.00 0.00 H ATOM 212 N TRP A 24 -38.952 19.140 51.265 1.00 24.41 N ATOM 213 CA TRP A 24 -39.408 18.154 50.292 1.00 24.51 C ATOM 214 C TRP A 24 -40.732 17.529 50.735 1.00 26.23 C ATOM 215 O TRP A 24 -41.688 17.461 49.963 1.00 25.21 O ATOM 216 CB TRP A 24 -38.328 17.083 50.115 1.00 23.24 C ATOM 217 CG TRP A 24 -38.440 16.219 48.896 1.00 27.07 C ATOM 218 CD1 TRP A 24 -37.980 16.507 47.646 1.00 24.95 C ATOM 219 CD2 TRP A 24 -39.010 14.907 48.821 1.00 23.91 C ATOM 220 NE1 TRP A 24 -38.238 15.462 46.794 1.00 27.72 N ATOM 221 CE2 TRP A 24 -38.870 14.467 47.490 1.00 28.66 C ATOM 222 CE3 TRP A 24 -39.629 14.064 49.748 1.00 26.82 C ATOM 223 CZ2 TRP A 24 -39.332 13.225 47.063 1.00 28.76 C ATOM 224 CZ3 TRP A 24 -40.086 12.834 49.323 1.00 26.19 C ATOM 225 CH2 TRP A 24 -39.934 12.424 47.992 1.00 28.33 C ATOM 226 HE1 TRP A 24 -37.993 15.431 45.784 1.00 0.00 H ATOM 227 H TRP A 24 -38.050 18.972 51.754 1.00 0.00 H ATOM 228 N LEU A 25 -40.783 17.089 51.990 1.00 23.37 N ATOM 229 CA LEU A 25 -41.976 16.448 52.539 1.00 27.04 C ATOM 230 C LEU A 25 -43.129 17.429 52.736 1.00 25.60 C ATOM 231 O LEU A 25 -44.298 17.051 52.644 1.00 25.38 O ATOM 232 CB LEU A 25 -41.648 15.775 53.875 1.00 26.41 C ATOM 233 CG LEU A 25 -40.764 14.529 53.801 1.00 30.20 C ATOM 234 CD1 LEU A 25 -40.288 14.132 55.192 1.00 32.75 C ATOM 235 CD2 LEU A 25 -41.507 13.376 53.144 1.00 30.06 C ATOM 236 H LEU A 25 -39.948 17.205 52.599 1.00 0.00 H ATOM 237 N ALA A 26 -42.802 18.687 53.011 1.00 23.30 N ATOM 238 CA ALA A 26 -43.822 19.708 53.229 1.00 26.04 C ATOM 239 C ALA A 26 -44.655 19.958 51.968 1.00 26.37 C ATOM 240 O ALA A 26 -45.749 20.515 52.041 1.00 24.23 O ATOM 241 CB ALA A 26 -43.175 21.003 53.698 1.00 28.95 C ATOM 242 H ALA A 26 -41.798 18.950 53.072 1.00 0.00 H ATOM 243 N LEU A 27 -44.132 19.549 50.816 1.00 22.87 N ATOM 244 CA LEU A 27 -44.831 19.730 49.547 1.00 20.03 C ATOM 245 C LEU A 27 -45.819 18.596 49.271 1.00 20.41 C ATOM 246 O LEU A 27 -46.613 18.673 48.335 1.00 23.99 O ATOM 247 CB LEU A 27 -43.823 19.827 48.398 1.00 20.02 C ATOM 248 CG LEU A 27 -42.874 21.028 48.434 1.00 25.09 C ATOM 249 CD1 LEU A 27 -41.721 20.829 47.463 1.00 27.62 C ATOM 250 CD2 LEU A 27 -43.621 22.317 48.122 1.00 28.71 C ATOM 251 H LEU A 27 -43.200 19.088 50.819 1.00 0.00 H ATOM 252 N MET A 28 -45.765 17.551 50.092 1.00 24.14 N ATOM 253 CA MET A 28 -46.545 16.338 49.863 1.00 24.01 C ATOM 254 C MET A 28 -47.844 16.320 50.657 1.00 27.54 C ATOM 255 O MET A 28 -47.886 16.767 51.801 1.00 26.01 O ATOM 256 CB MET A 28 -45.724 15.102 50.240 1.00 24.68 C ATOM 257 CG MET A 28 -44.358 15.017 49.585 1.00 33.56 C ATOM 258 SD MET A 28 -44.450 14.769 47.810 1.00 44.64 S ATOM 259 CE MET A 28 -42.713 14.542 47.433 1.00 35.96 C ATOM 260 H MET A 28 -45.146 17.599 50.926 1.00 0.00 H ATOM 261 N ALA A 29 -48.898 15.790 50.046 1.00 21.78 N ATOM 262 CA ALA A 29 -50.124 15.478 50.769 1.00 24.79 C ATOM 263 C ALA A 29 -49.911 14.206 51.584 1.00 30.48 C ATOM 264 O ALA A 29 -49.029 13.405 51.273 1.00 24.03 O ATOM 265 CB ALA A 29 -51.287 15.309 49.808 1.00 27.68 C ATOM 266 H ALA A 29 -48.847 15.593 49.026 1.00 0.00 H ATOM 267 N ASP A 30 -50.717 14.021 52.624 1.00 32.78 N ATOM 268 CA ASP A 30 -50.603 12.845 53.484 1.00 38.28 C ATOM 269 C ASP A 30 -50.822 11.544 52.714 1.00 31.51 C ATOM 270 O ASP A 30 -50.263 10.507 53.071 1.00 37.39 O ATOM 271 CB ASP A 30 -51.603 12.932 54.642 1.00 46.85 C ATOM 272 CG ASP A 30 -51.173 13.916 55.719 1.00 60.27 C ATOM 273 OD1 ASP A 30 -49.956 14.029 55.980 1.00 58.67 O ATOM 274 OD2 ASP A 30 -52.057 14.573 56.309 1.00 67.98 O ATOM 275 H ASP A 30 -51.448 14.731 52.831 1.00 0.00 H ATOM 276 N ASP A 31 -51.631 11.605 51.659 1.00 31.35 N ATOM 277 CA ASP A 31 -51.954 10.424 50.861 1.00 32.93 C ATOM 278 C ASP A 31 -51.198 10.405 49.532 1.00 27.32 C ATOM 279 O ASP A 31 -51.641 9.782 48.566 1.00 27.09 O ATOM 280 CB ASP A 31 -53.462 10.360 50.602 1.00 37.74 C ATOM 281 CG ASP A 31 -53.967 11.542 49.793 1.00 45.61 C ATOM 282 OD1 ASP A 31 -53.339 12.619 49.856 1.00 43.02 O ATOM 283 OD2 ASP A 31 -54.993 11.394 49.096 1.00 48.97 O ATOM 284 H ASP A 31 -52.046 12.521 51.394 1.00 0.00 H ATOM 285 N VAL A 32 -50.055 11.084 49.486 1.00 24.93 N ATOM 286 CA VAL A 32 -49.263 11.158 48.264 1.00 18.76 C ATOM 287 C VAL A 32 -48.856 9.770 47.770 1.00 26.99 C ATOM 288 O VAL A 32 -48.571 8.873 48.564 1.00 25.50 O ATOM 289 CB VAL A 32 -47.993 12.011 48.467 1.00 21.28 C ATOM 290 CG1 VAL A 32 -47.076 11.384 49.513 1.00 27.92 C ATOM 291 CG2 VAL A 32 -47.257 12.205 47.147 1.00 23.90 C ATOM 292 H VAL A 32 -49.719 11.573 50.340 1.00 0.00 H ATOM 293 N VAL A 33 -48.843 9.607 46.450 1.00 21.22 N ATOM 294 CA VAL A 33 -48.373 8.379 45.822 1.00 22.83 C ATOM 295 C VAL A 33 -47.335 8.723 44.760 1.00 24.63 C ATOM 296 O VAL A 33 -47.633 9.442 43.807 1.00 22.87 O ATOM 297 CB VAL A 33 -49.526 7.584 45.177 1.00 27.30 C ATOM 298 CG1 VAL A 33 -48.999 6.323 44.494 1.00 26.93 C ATOM 299 CG2 VAL A 33 -50.574 7.223 46.217 1.00 29.66 C ATOM 300 H VAL A 33 -49.180 10.383 45.845 1.00 0.00 H ATOM 301 N ILE A 34 -46.119 8.212 44.934 1.00 22.71 N ATOM 302 CA ILE A 34 -45.046 8.434 43.972 1.00 19.80 C ATOM 303 C ILE A 34 -44.786 7.168 43.164 1.00 23.85 C ATOM 304 O ILE A 34 -44.526 6.100 43.724 1.00 24.84 O ATOM 305 CB ILE A 34 -43.745 8.886 44.669 1.00 23.09 C ATOM 306 CG1 ILE A 34 -43.983 10.209 45.403 1.00 26.32 C ATOM 307 CG2 ILE A 34 -42.614 9.039 43.648 1.00 22.66 C ATOM 308 CD1 ILE A 34 -42.786 10.721 46.187 1.00 37.81 C ATOM 309 H ILE A 34 -45.928 7.638 45.780 1.00 0.00 H ATOM 310 N GLU A 35 -44.869 7.308 41.843 1.00 21.55 N ATOM 311 CA GLU A 35 -44.618 6.214 40.910 1.00 22.97 C ATOM 312 C GLU A 35 -43.543 6.617 39.913 1.00 23.05 C ATOM 313 O GLU A 35 -43.843 6.932 38.760 1.00 22.94 O ATOM 314 CB GLU A 35 -45.895 5.831 40.163 1.00 21.15 C ATOM 315 CG GLU A 35 -47.022 5.342 41.049 1.00 24.31 C ATOM 316 CD GLU A 35 -48.328 5.217 40.292 1.00 32.00 C ATOM 317 OE1 GLU A 35 -49.223 6.061 40.512 1.00 29.60 O ATOM 318 OE2 GLU A 35 -48.458 4.281 39.473 1.00 29.09 O ATOM 319 H GLU A 35 -45.124 8.240 41.458 1.00 0.00 H ATOM 320 N THR A 36 -42.295 6.615 40.368 1.00 21.06 N ATOM 321 CA THR A 36 -41.167 7.019 39.545 1.00 22.87 C ATOM 322 C THR A 36 -40.168 5.870 39.434 1.00 27.73 C ATOM 323 O THR A 36 -39.286 5.737 40.279 1.00 24.52 O ATOM 324 CB THR A 36 -40.466 8.261 40.125 1.00 28.88 C ATOM 325 OG1 THR A 36 -40.124 8.028 41.498 1.00 28.06 O ATOM 326 CG2 THR A 36 -41.385 9.474 40.035 1.00 28.34 C ATOM 327 HG1 THR A 36 -39.515 7.250 41.558 1.00 0.00 H ATOM 328 H THR A 36 -42.119 6.314 41.348 1.00 0.00 H ATOM 329 N PRO A 37 -40.299 5.033 38.389 1.00 27.40 N ATOM 330 CA PRO A 37 -41.258 5.111 37.283 1.00 23.81 C ATOM 331 C PRO A 37 -42.584 4.427 37.587 1.00 23.11 C ATOM 332 O PRO A 37 -42.724 3.766 38.618 1.00 26.59 O ATOM 333 CB PRO A 37 -40.532 4.374 36.161 1.00 28.54 C ATOM 334 CG PRO A 37 -39.795 3.296 36.882 1.00 30.80 C ATOM 335 CD PRO A 37 -39.407 3.869 38.232 1.00 29.58 C ATOM 336 N ILE A 38 -43.545 4.589 36.685 1.00 19.63 N ATOM 337 CA ILE A 38 -44.754 3.782 36.705 1.00 20.02 C ATOM 338 C ILE A 38 -44.366 2.347 36.367 1.00 26.55 C ATOM 339 O ILE A 38 -43.724 2.100 35.345 1.00 27.32 O ATOM 340 CB ILE A 38 -45.803 4.287 35.697 1.00 22.21 C ATOM 341 CG1 ILE A 38 -46.210 5.728 36.017 1.00 20.76 C ATOM 342 CG2 ILE A 38 -47.033 3.380 35.702 1.00 27.90 C ATOM 343 CD1 ILE A 38 -46.943 6.414 34.881 1.00 24.29 C ATOM 344 H ILE A 38 -43.430 5.311 35.946 1.00 0.00 H ATOM 345 N GLY A 39 -44.753 1.408 37.223 1.00 24.99 N ATOM 346 CA GLY A 39 -44.413 0.008 37.031 1.00 31.46 C ATOM 347 C GLY A 39 -43.239 -0.409 37.893 1.00 36.67 C ATOM 348 O GLY A 39 -42.576 0.431 38.503 1.00 31.69 O ATOM 349 H GLY A 39 -45.315 1.682 38.054 1.00 0.00 H ATOM 350 N LYS A 40 -42.976 -1.712 37.934 1.00 34.67 N ATOM 351 CA LYS A 40 -41.972 -2.269 38.835 1.00 36.18 C ATOM 352 C LYS A 40 -40.562 -1.785 38.515 1.00 34.62 C ATOM 353 O LYS A 40 -40.147 -1.747 37.358 1.00 34.17 O ATOM 354 CB LYS A 40 -42.017 -3.799 38.794 1.00 41.96 C ATOM 355 CG LYS A 40 -40.938 -4.472 39.631 1.00 44.41 C ATOM 356 CD LYS A 40 -41.411 -5.813 40.171 1.00 54.49 C ATOM 357 CE LYS A 40 -40.260 -6.625 40.739 1.00 57.79 C ATOM 358 NZ LYS A 40 -39.388 -7.172 39.665 1.00 60.53 N ATOM 359 HZ1 LYS A 40 -39.950 -7.790 39.045 1.00 0.00 H ATOM 360 HZ2 LYS A 40 -38.992 -6.388 39.108 1.00 0.00 H ATOM 361 HZ3 LYS A 40 -38.615 -7.720 40.093 1.00 0.00 H ATOM 362 H LYS A 40 -43.501 -2.353 37.306 1.00 0.00 H ATOM 363 N SER A 41 -39.833 -1.419 39.564 1.00 33.86 N ATOM 364 CA SER A 41 -38.475 -0.912 39.431 1.00 36.80 C ATOM 365 C SER A 41 -37.810 -0.852 40.800 1.00 36.96 C ATOM 366 O SER A 41 -38.454 -1.101 41.818 1.00 40.48 O ATOM 367 CB SER A 41 -38.479 0.474 38.785 1.00 39.68 C ATOM 368 OG SER A 41 -37.174 1.024 38.745 1.00 44.44 O ATOM 369 HG SER A 41 -37.207 1.919 38.323 1.00 0.00 H ATOM 370 H SER A 41 -40.248 -1.498 40.514 1.00 0.00 H ATOM 371 N VAL A 42 -36.523 -0.523 40.820 1.00 37.89 N ATOM 372 CA VAL A 42 -35.796 -0.376 42.075 1.00 39.41 C ATOM 373 C VAL A 42 -36.453 0.706 42.924 1.00 39.48 C ATOM 374 O VAL A 42 -36.580 0.566 44.140 1.00 37.37 O ATOM 375 CB VAL A 42 -34.312 -0.015 41.841 1.00 42.15 C ATOM 376 CG1 VAL A 42 -33.566 0.080 43.168 1.00 43.15 C ATOM 377 CG2 VAL A 42 -33.645 -1.040 40.932 1.00 53.79 C ATOM 378 H VAL A 42 -36.024 -0.367 39.921 1.00 0.00 H ATOM 379 N THR A 43 -36.875 1.782 42.266 1.00 38.57 N ATOM 380 CA THR A 43 -37.505 2.909 42.944 1.00 40.34 C ATOM 381 C THR A 43 -39.026 2.756 43.034 1.00 36.77 C ATOM 382 O THR A 43 -39.713 3.641 43.543 1.00 36.23 O ATOM 383 CB THR A 43 -37.172 4.230 42.230 1.00 40.69 C ATOM 384 OG1 THR A 43 -37.444 4.102 40.829 1.00 33.80 O ATOM 385 CG2 THR A 43 -35.705 4.580 42.421 1.00 44.15 C ATOM 386 HG1 THR A 43 -38.402 3.889 40.698 1.00 0.00 H ATOM 387 H THR A 43 -36.752 1.821 41.234 1.00 0.00 H ATOM 388 N ASN A 44 -39.543 1.633 42.541 1.00 32.96 N ATOM 389 CA ASN A 44 -40.963 1.308 42.661 1.00 29.80 C ATOM 390 C ASN A 44 -41.136 -0.208 42.807 1.00 33.86 C ATOM 391 O ASN A 44 -41.647 -0.868 41.903 1.00 29.81 O ATOM 392 CB ASN A 44 -41.735 1.839 41.449 1.00 29.25 C ATOM 393 CG ASN A 44 -43.242 1.751 41.625 1.00 28.51 C ATOM 394 OD1 ASN A 44 -43.739 1.252 42.635 1.00 28.76 O ATOM 395 ND2 ASN A 44 -43.979 2.258 40.641 1.00 26.54 N ATOM 396 HD22 ASN A 44 -43.518 2.670 39.805 1.00 0.00 H ATOM 397 HD21 ASN A 44 -45.017 2.242 40.707 1.00 0.00 H ATOM 398 H ASN A 44 -38.914 0.963 42.053 1.00 0.00 H ATOM 399 N PRO A 45 -40.700 -0.759 43.955 1.00 35.34 N ATOM 400 CA PRO A 45 -40.599 -2.203 44.222 1.00 40.19 C ATOM 401 C PRO A 45 -41.805 -3.049 43.799 1.00 44.29 C ATOM 402 O PRO A 45 -41.632 -3.994 43.029 1.00 46.06 O ATOM 403 CB PRO A 45 -40.426 -2.253 45.741 1.00 42.38 C ATOM 404 CG PRO A 45 -39.710 -1.001 46.064 1.00 41.15 C ATOM 405 CD PRO A 45 -40.240 0.035 45.111 1.00 37.16 C ATOM 406 N ASP A 46 -42.995 -2.724 44.296 1.00 39.89 N ATOM 407 CA ASP A 46 -44.183 -3.527 44.008 1.00 40.63 C ATOM 408 C ASP A 46 -44.902 -3.061 42.743 1.00 44.09 C ATOM 409 O ASP A 46 -45.906 -3.647 42.339 1.00 43.67 O ATOM 410 CB ASP A 46 -45.147 -3.503 45.200 1.00 52.23 C ATOM 411 CG ASP A 46 -45.461 -2.097 45.679 1.00 61.63 C ATOM 412 OD1 ASP A 46 -45.382 -1.149 44.868 1.00 53.61 O ATOM 413 OD2 ASP A 46 -45.792 -1.941 46.873 1.00 71.71 O ATOM 414 H ASP A 46 -43.082 -1.883 44.901 1.00 0.00 H ATOM 415 N GLY A 47 -44.387 -2.005 42.123 1.00 38.77 N ATOM 416 CA GLY A 47 -44.942 -1.509 40.879 1.00 36.53 C ATOM 417 C GLY A 47 -46.242 -0.741 41.042 1.00 34.37 C ATOM 418 O GLY A 47 -46.855 -0.351 40.049 1.00 39.02 O ATOM 419 H GLY A 47 -43.566 -1.522 42.540 1.00 0.00 H ATOM 420 N SER A 48 -46.660 -0.516 42.286 1.00 33.50 N ATOM 421 CA SER A 48 -47.897 0.215 42.564 1.00 37.14 C ATOM 422 C SER A 48 -47.634 1.559 43.245 1.00 35.01 C ATOM 423 O SER A 48 -48.571 2.235 43.674 1.00 37.83 O ATOM 424 CB SER A 48 -48.828 -0.630 43.435 1.00 42.73 C ATOM 425 OG SER A 48 -48.301 -0.787 44.740 1.00 49.96 O ATOM 426 HG SER A 48 -47.421 -1.237 44.687 1.00 0.00 H ATOM 427 H SER A 48 -46.092 -0.869 43.082 1.00 0.00 H ATOM 428 N GLY A 49 -46.364 1.940 43.351 1.00 31.51 N ATOM 429 CA GLY A 49 -45.996 3.252 43.857 1.00 30.65 C ATOM 430 C GLY A 49 -45.694 3.299 45.344 1.00 36.32 C ATOM 431 O GLY A 49 -46.095 2.418 46.104 1.00 35.51 O ATOM 432 H GLY A 49 -45.613 1.280 43.064 1.00 0.00 H ATOM 433 N ILE A 50 -44.974 4.342 45.750 1.00 28.75 N ATOM 434 CA ILE A 50 -44.665 4.592 47.155 1.00 26.83 C ATOM 435 C ILE A 50 -45.787 5.424 47.770 1.00 32.43 C ATOM 436 O ILE A 50 -46.033 6.549 47.335 1.00 24.46 O ATOM 437 CB ILE A 50 -43.321 5.337 47.323 1.00 29.35 C ATOM 438 CG1 ILE A 50 -42.248 4.752 46.396 1.00 33.94 C ATOM 439 CG2 ILE A 50 -42.866 5.301 48.775 1.00 31.80 C ATOM 440 CD1 ILE A 50 -41.963 3.281 46.613 1.00 40.89 C ATOM 441 H ILE A 50 -44.616 5.008 45.036 1.00 0.00 H ATOM 442 N LYS A 51 -46.456 4.875 48.783 1.00 29.46 N ATOM 443 CA LYS A 51 -47.677 5.474 49.324 1.00 35.00 C ATOM 444 C LYS A 51 -47.506 6.010 50.748 1.00 36.83 C ATOM 445 O LYS A 51 -47.031 5.303 51.636 1.00 32.97 O ATOM 446 CB LYS A 51 -48.811 4.445 49.302 1.00 33.60 C ATOM 447 CG LYS A 51 -49.062 3.815 47.936 1.00 42.39 C ATOM 448 CD LYS A 51 -50.008 2.628 48.039 1.00 45.44 C ATOM 449 CE LYS A 51 -50.139 1.893 46.712 1.00 52.06 C ATOM 450 NZ LYS A 51 -50.818 2.713 45.672 1.00 60.79 N ATOM 451 HZ1 LYS A 51 -51.774 2.961 45.997 1.00 0.00 H ATOM 452 HZ2 LYS A 51 -50.271 3.582 45.505 1.00 0.00 H ATOM 453 HZ3 LYS A 51 -50.882 2.167 44.789 1.00 0.00 H ATOM 454 H LYS A 51 -46.099 3.993 49.203 1.00 0.00 H ATOM 455 N GLY A 52 -47.906 7.262 50.953 1.00 35.88 N ATOM 456 CA GLY A 52 -47.913 7.869 52.274 1.00 37.21 C ATOM 457 C GLY A 52 -46.621 8.600 52.586 1.00 40.22 C ATOM 458 O GLY A 52 -45.556 8.222 52.102 1.00 36.59 O ATOM 459 H GLY A 52 -48.225 7.826 50.140 1.00 0.00 H ATOM 460 N LYS A 53 -46.715 9.643 53.406 1.00 40.63 N ATOM 461 CA LYS A 53 -45.566 10.494 53.705 1.00 40.38 C ATOM 462 C LYS A 53 -44.440 9.750 54.415 1.00 36.64 C ATOM 463 O LYS A 53 -43.267 10.066 54.219 1.00 40.19 O ATOM 464 CB LYS A 53 -46.003 11.693 54.546 1.00 47.82 C ATOM 465 CG LYS A 53 -46.668 12.776 53.716 1.00 39.26 C ATOM 466 CD LYS A 53 -46.976 14.027 54.520 1.00 46.26 C ATOM 467 CE LYS A 53 -45.812 14.999 54.527 1.00 39.01 C ATOM 468 NZ LYS A 53 -46.285 16.395 54.745 1.00 41.28 N ATOM 469 HZ1 LYS A 53 -46.939 16.661 53.981 1.00 0.00 H ATOM 470 HZ2 LYS A 53 -46.776 16.454 55.660 1.00 0.00 H ATOM 471 HZ3 LYS A 53 -45.469 17.040 54.745 1.00 0.00 H ATOM 472 H LYS A 53 -47.632 9.859 53.847 1.00 0.00 H ATOM 473 N GLU A 54 -44.792 8.767 55.238 1.00 38.98 N ATOM 474 CA GLU A 54 -43.788 7.972 55.940 1.00 39.45 C ATOM 475 C GLU A 54 -42.938 7.182 54.949 1.00 43.41 C ATOM 476 O GLU A 54 -41.714 7.122 55.077 1.00 40.43 O ATOM 477 CB GLU A 54 -44.449 7.019 56.941 1.00 46.62 C ATOM 478 CG GLU A 54 -43.468 6.097 57.658 1.00 54.09 C ATOM 479 CD GLU A 54 -43.734 6.002 59.148 1.00 91.96 C ATOM 480 H GLU A 54 -45.801 8.560 55.385 1.00 0.00 H ATOM 481 N ALA A 55 -43.592 6.583 53.958 1.00 38.58 N ATOM 482 CA ALA A 55 -42.903 5.751 52.977 1.00 35.27 C ATOM 483 C ALA A 55 -42.065 6.580 52.003 1.00 29.05 C ATOM 484 O ALA A 55 -40.970 6.167 51.622 1.00 31.72 O ATOM 485 CB ALA A 55 -43.906 4.902 52.211 1.00 42.20 C ATOM 486 H ALA A 55 -44.621 6.711 53.880 1.00 0.00 H ATOM 487 N VAL A 56 -42.570 7.742 51.592 1.00 28.69 N ATOM 488 CA VAL A 56 -41.813 8.601 50.682 1.00 30.21 C ATOM 489 C VAL A 56 -40.663 9.258 51.437 1.00 26.79 C ATOM 490 O VAL A 56 -39.674 9.676 50.839 1.00 30.47 O ATOM 491 CB VAL A 56 -42.691 9.695 50.023 1.00 33.25 C ATOM 492 CG1 VAL A 56 -43.886 9.069 49.309 1.00 32.64 C ATOM 493 CG2 VAL A 56 -43.150 10.714 51.046 1.00 36.34 C ATOM 494 H VAL A 56 -43.510 8.041 51.921 1.00 0.00 H ATOM 495 N GLY A 57 -40.805 9.353 52.755 1.00 33.60 N ATOM 496 CA GLY A 57 -39.719 9.815 53.599 1.00 34.35 C ATOM 497 C GLY A 57 -38.550 8.851 53.518 1.00 30.76 C ATOM 498 O GLY A 57 -37.395 9.262 53.392 1.00 32.40 O ATOM 499 H GLY A 57 -41.713 9.091 53.190 1.00 0.00 H ATOM 500 N ALA A 58 -38.858 7.559 53.583 1.00 31.10 N ATOM 501 CA ALA A 58 -37.848 6.515 53.439 1.00 35.91 C ATOM 502 C ALA A 58 -37.271 6.526 52.026 1.00 36.92 C ATOM 503 O ALA A 58 -36.076 6.303 51.826 1.00 32.52 O ATOM 504 CB ALA A 58 -38.443 5.152 53.761 1.00 37.32 C ATOM 505 H ALA A 58 -39.848 7.284 53.741 1.00 0.00 H ATOM 506 N PHE A 59 -38.138 6.783 51.050 1.00 30.78 N ATOM 507 CA PHE A 59 -37.733 6.900 49.653 1.00 30.42 C ATOM 508 C PHE A 59 -36.703 8.013 49.485 1.00 30.02 C ATOM 509 O PHE A 59 -35.693 7.843 48.801 1.00 30.79 O ATOM 510 CB PHE A 59 -38.959 7.165 48.773 1.00 30.46 C ATOM 511 CG PHE A 59 -38.631 7.445 47.335 1.00 29.06 C ATOM 512 CD1 PHE A 59 -38.546 6.413 46.417 1.00 36.12 C ATOM 513 CD2 PHE A 59 -38.421 8.743 46.900 1.00 32.84 C ATOM 514 CE1 PHE A 59 -38.249 6.670 45.092 1.00 39.64 C ATOM 515 CE2 PHE A 59 -38.123 9.005 45.577 1.00 38.15 C ATOM 516 CZ PHE A 59 -38.038 7.968 44.673 1.00 40.75 C ATOM 517 H PHE A 59 -39.142 6.905 51.292 1.00 0.00 H ATOM 518 N PHE A 60 -36.971 9.153 50.113 1.00 26.06 N ATOM 519 CA PHE A 60 -36.050 10.283 50.088 1.00 30.31 C ATOM 520 C PHE A 60 -34.700 9.896 50.688 1.00 32.64 C ATOM 521 O PHE A 60 -33.651 10.120 50.084 1.00 31.84 O ATOM 522 CB PHE A 60 -36.646 11.470 50.851 1.00 26.42 C ATOM 523 CG PHE A 60 -35.742 12.670 50.914 1.00 29.12 C ATOM 524 CD1 PHE A 60 -35.872 13.700 49.998 1.00 26.65 C ATOM 525 CD2 PHE A 60 -34.766 12.771 51.893 1.00 34.11 C ATOM 526 CE1 PHE A 60 -35.045 14.805 50.055 1.00 29.88 C ATOM 527 CE2 PHE A 60 -33.936 13.873 51.953 1.00 29.22 C ATOM 528 CZ PHE A 60 -34.076 14.892 51.033 1.00 31.21 C ATOM 529 H PHE A 60 -37.864 9.242 50.638 1.00 0.00 H ATOM 530 N ASP A 61 -34.737 9.314 51.880 1.00 31.41 N ATOM 531 CA ASP A 61 -33.519 8.942 52.592 1.00 40.27 C ATOM 532 C ASP A 61 -32.665 7.959 51.794 1.00 41.09 C ATOM 533 O ASP A 61 -31.442 7.946 51.923 1.00 41.50 O ATOM 534 CB ASP A 61 -33.868 8.337 53.954 1.00 36.90 C ATOM 535 CG ASP A 61 -34.544 9.333 54.880 1.00 39.71 C ATOM 536 OD1 ASP A 61 -34.355 10.554 54.689 1.00 36.69 O ATOM 537 OD2 ASP A 61 -35.260 8.895 55.805 1.00 38.87 O ATOM 538 H ASP A 61 -35.659 9.118 52.319 1.00 0.00 H ATOM 539 N THR A 62 -33.310 7.147 50.963 1.00 38.09 N ATOM 540 CA THR A 62 -32.611 6.106 50.217 1.00 34.22 C ATOM 541 C THR A 62 -32.065 6.601 48.876 1.00 42.18 C ATOM 542 O THR A 62 -30.889 6.400 48.569 1.00 40.78 O ATOM 543 CB THR A 62 -33.534 4.897 49.954 1.00 39.90 C ATOM 544 OG1 THR A 62 -34.056 4.412 51.197 1.00 41.04 O ATOM 545 CG2 THR A 62 -32.775 3.773 49.256 1.00 41.82 C ATOM 546 HG1 THR A 62 -34.573 5.131 51.640 1.00 0.00 H ATOM 547 H THR A 62 -34.337 7.256 50.842 1.00 0.00 H ATOM 548 N HIS A 63 -32.916 7.250 48.084 1.00 39.26 N ATOM 549 CA HIS A 63 -32.593 7.538 46.686 1.00 33.03 C ATOM 550 C HIS A 63 -32.269 9.004 46.392 1.00 35.48 C ATOM 551 O HIS A 63 -31.889 9.335 45.268 1.00 41.67 O ATOM 552 CB HIS A 63 -33.754 7.094 45.793 1.00 39.51 C ATOM 553 CG HIS A 63 -34.088 5.640 45.919 1.00 38.68 C ATOM 554 ND1 HIS A 63 -35.137 5.180 46.685 1.00 43.60 N ATOM 555 CD2 HIS A 63 -33.502 4.542 45.386 1.00 33.02 C ATOM 556 CE1 HIS A 63 -35.187 3.862 46.614 1.00 33.04 C ATOM 557 NE2 HIS A 63 -34.206 3.450 45.832 1.00 41.09 N ATOM 558 H HIS A 63 -33.832 7.560 48.468 1.00 0.00 H ATOM 559 N ILE A 64 -32.411 9.874 47.389 1.00 30.69 N ATOM 560 CA ILE A 64 -32.150 11.301 47.200 1.00 28.82 C ATOM 561 C ILE A 64 -31.064 11.816 48.142 1.00 33.66 C ATOM 562 O ILE A 64 -30.178 12.563 47.726 1.00 38.91 O ATOM 563 CB ILE A 64 -33.436 12.134 47.410 1.00 29.03 C ATOM 564 CG1 ILE A 64 -34.515 11.683 46.419 1.00 34.59 C ATOM 565 CG2 ILE A 64 -33.143 13.627 47.241 1.00 33.13 C ATOM 566 CD1 ILE A 64 -35.857 12.365 46.593 1.00 36.10 C ATOM 567 H ILE A 64 -32.714 9.532 48.323 1.00 0.00 H ATOM 568 N ALA A 65 -31.138 11.415 49.406 1.00 34.97 N ATOM 569 CA ALA A 65 -30.261 11.954 50.443 1.00 39.94 C ATOM 570 C ALA A 65 -28.775 11.735 50.152 1.00 40.23 C ATOM 571 O ALA A 65 -27.965 12.643 50.338 1.00 43.34 O ATOM 572 CB ALA A 65 -30.619 11.343 51.787 1.00 37.69 C ATOM 573 H ALA A 65 -31.842 10.695 49.666 1.00 0.00 H ATOM 574 N ALA A 66 -28.423 10.534 49.697 1.00 37.84 N ATOM 575 CA ALA A 66 -27.024 10.167 49.480 1.00 51.02 C ATOM 576 C ALA A 66 -26.656 10.197 47.999 1.00 48.56 C ATOM 577 O ALA A 66 -25.831 9.407 47.539 1.00 48.50 O ATOM 578 CB ALA A 66 -26.751 8.787 50.062 1.00 43.50 C ATOM 579 H ALA A 66 -29.165 9.836 49.490 1.00 0.00 H ATOM 580 N THR A 67 -27.266 11.119 47.262 1.00 43.17 N ATOM 581 CA THR A 67 -27.053 11.227 45.825 1.00 39.81 C ATOM 582 C THR A 67 -27.021 12.684 45.390 1.00 35.89 C ATOM 583 O THR A 67 -27.881 13.469 45.782 1.00 39.93 O ATOM 584 CB THR A 67 -28.165 10.496 45.042 1.00 45.91 C ATOM 585 OG1 THR A 67 -28.230 9.127 45.461 1.00 48.05 O ATOM 586 CG2 THR A 67 -27.908 10.554 43.544 1.00 44.18 C ATOM 587 HG1 THR A 67 -28.430 9.089 46.430 1.00 0.00 H ATOM 588 H THR A 67 -27.916 11.785 47.726 1.00 0.00 H ATOM 589 N ARG A 68 -26.030 13.048 44.582 1.00 31.69 N ATOM 590 CA ARG A 68 -26.020 14.369 43.970 1.00 32.76 C ATOM 591 C ARG A 68 -26.925 14.353 42.746 1.00 38.32 C ATOM 592 O ARG A 68 -26.567 13.803 41.703 1.00 32.23 O ATOM 593 CB ARG A 68 -24.607 14.800 43.581 1.00 31.90 C ATOM 594 CG ARG A 68 -24.560 16.212 43.022 1.00 36.55 C ATOM 595 CD ARG A 68 -23.143 16.693 42.793 1.00 39.71 C ATOM 596 NE ARG A 68 -23.103 18.134 42.553 1.00 35.25 N ATOM 597 CZ ARG A 68 -23.281 18.712 41.368 1.00 43.48 C ATOM 598 NH1 ARG A 68 -23.518 17.982 40.286 1.00 47.16 N ATOM 599 NH2 ARG A 68 -23.224 20.032 41.265 1.00 42.71 N ATOM 600 HE ARG A 68 -22.922 18.753 43.369 1.00 0.00 H ATOM 601 HH12 ARG A 68 -23.655 18.446 39.365 1.00 0.00 H ATOM 602 HH11 ARG A 68 -23.566 16.946 40.358 1.00 0.00 H ATOM 603 HH22 ARG A 68 -23.363 20.488 40.341 1.00 0.00 H ATOM 604 HH21 ARG A 68 -23.041 20.612 42.109 1.00 0.00 H ATOM 605 H ARG A 68 -25.255 12.383 44.385 1.00 0.00 H ATOM 606 N LEU A 69 -28.100 14.958 42.888 1.00 32.92 N ATOM 607 CA LEU A 69 -29.107 14.946 41.835 1.00 30.96 C ATOM 608 C LEU A 69 -29.164 16.264 41.079 1.00 34.17 C ATOM 609 O LEU A 69 -29.126 17.338 41.677 1.00 35.16 O ATOM 610 CB LEU A 69 -30.483 14.633 42.425 1.00 35.22 C ATOM 611 CG LEU A 69 -30.899 13.165 42.343 1.00 43.50 C ATOM 612 CD1 LEU A 69 -32.037 12.878 43.305 1.00 48.60 C ATOM 613 CD2 LEU A 69 -31.300 12.811 40.919 1.00 41.19 C ATOM 614 H LEU A 69 -28.307 15.455 43.778 1.00 0.00 H ATOM 615 N THR A 70 -29.245 16.161 39.756 1.00 28.81 N ATOM 616 CA THR A 70 -29.464 17.309 38.890 1.00 30.30 C ATOM 617 C THR A 70 -30.722 17.070 38.065 1.00 35.81 C ATOM 618 O THR A 70 -30.781 16.131 37.269 1.00 32.21 O ATOM 619 CB THR A 70 -28.272 17.555 37.949 1.00 34.33 C ATOM 620 OG1 THR A 70 -27.058 17.597 38.709 1.00 41.24 O ATOM 621 CG2 THR A 70 -28.447 18.867 37.193 1.00 38.10 C ATOM 622 HG1 THR A 70 -26.934 16.734 39.178 1.00 0.00 H ATOM 623 H THR A 70 -29.148 15.221 39.322 1.00 0.00 H ATOM 624 N VAL A 71 -31.725 17.917 38.271 1.00 30.18 N ATOM 625 CA VAL A 71 -32.985 17.827 37.541 1.00 28.64 C ATOM 626 C VAL A 71 -33.088 18.975 36.545 1.00 34.66 C ATOM 627 O VAL A 71 -33.179 20.140 36.935 1.00 29.24 O ATOM 628 CB VAL A 71 -34.196 17.858 38.493 1.00 32.89 C ATOM 629 CG1 VAL A 71 -35.501 17.744 37.709 1.00 35.75 C ATOM 630 CG2 VAL A 71 -34.094 16.738 39.517 1.00 28.64 C ATOM 631 H VAL A 71 -31.608 18.671 38.978 1.00 0.00 H ATOM 632 N THR A 72 -33.062 18.636 35.260 1.00 28.88 N ATOM 633 CA THR A 72 -33.204 19.619 34.193 1.00 29.16 C ATOM 634 C THR A 72 -34.617 19.563 33.629 1.00 33.11 C ATOM 635 O THR A 72 -35.115 18.485 33.300 1.00 28.50 O ATOM 636 CB THR A 72 -32.189 19.373 33.056 1.00 32.39 C ATOM 637 OG1 THR A 72 -30.865 19.295 33.600 1.00 40.87 O ATOM 638 CG2 THR A 72 -32.245 20.493 32.025 1.00 36.61 C ATOM 639 HG1 THR A 72 -30.820 18.549 34.249 1.00 0.00 H ATOM 640 H THR A 72 -32.936 17.635 35.007 1.00 0.00 H ATOM 641 N CYS A 73 -35.265 20.720 33.529 1.00 28.68 N ATOM 642 CA CYS A 73 -36.592 20.799 32.929 1.00 31.15 C ATOM 643 C CYS A 73 -36.480 21.158 31.456 1.00 30.96 C ATOM 644 O CYS A 73 -36.239 22.311 31.103 1.00 35.11 O ATOM 645 CB CYS A 73 -37.465 21.823 33.652 1.00 33.82 C ATOM 646 SG CYS A 73 -39.133 21.953 32.949 1.00 35.21 S ATOM 647 H CYS A 73 -34.816 21.587 33.886 1.00 0.00 H ATOM 648 N GLU A 74 -36.657 20.157 30.601 1.00 25.77 N ATOM 649 CA GLU A 74 -36.540 20.346 29.161 1.00 30.57 C ATOM 650 C GLU A 74 -37.748 21.083 28.597 1.00 34.79 C ATOM 651 O GLU A 74 -37.601 22.006 27.797 1.00 28.78 O ATOM 652 CB GLU A 74 -36.374 18.995 28.462 1.00 29.29 C ATOM 653 CG GLU A 74 -36.475 19.061 26.943 1.00 42.22 C ATOM 654 CD GLU A 74 -36.216 17.721 26.281 1.00 54.70 C ATOM 655 OE1 GLU A 74 -35.380 16.951 26.801 1.00 38.37 O ATOM 656 OE2 GLU A 74 -36.856 17.437 25.245 1.00 41.95 O ATOM 657 H GLU A 74 -36.886 19.212 30.970 1.00 0.00 H ATOM 658 N GLU A 75 -38.941 20.667 29.008 1.00 26.02 N ATOM 659 CA GLU A 75 -40.165 21.287 28.518 1.00 26.04 C ATOM 660 C GLU A 75 -41.320 21.068 29.488 1.00 27.75 C ATOM 661 O GLU A 75 -41.391 20.043 30.169 1.00 24.71 O ATOM 662 CB GLU A 75 -40.522 20.741 27.133 1.00 32.19 C ATOM 663 CG GLU A 75 -41.678 21.470 26.469 1.00 38.38 C ATOM 664 CD GLU A 75 -41.777 21.189 24.982 1.00 41.49 C ATOM 665 OE1 GLU A 75 -41.157 20.211 24.511 1.00 36.35 O ATOM 666 OE2 GLU A 75 -42.475 21.953 24.284 1.00 39.46 O ATOM 667 H GLU A 75 -39.002 19.885 29.691 1.00 0.00 H ATOM 668 N THR A 76 -42.218 22.047 29.541 1.00 20.86 N ATOM 669 CA THR A 76 -43.362 22.016 30.444 1.00 23.03 C ATOM 670 C THR A 76 -44.673 22.005 29.661 1.00 22.37 C ATOM 671 O THR A 76 -44.842 22.761 28.703 1.00 23.76 O ATOM 672 CB THR A 76 -43.337 23.221 31.399 1.00 25.30 C ATOM 673 OG1 THR A 76 -42.210 23.106 32.276 1.00 25.78 O ATOM 674 CG2 THR A 76 -44.608 23.289 32.229 1.00 22.71 C ATOM 675 HG1 THR A 76 -42.192 23.881 32.892 1.00 0.00 H ATOM 676 H THR A 76 -42.100 22.868 28.913 1.00 0.00 H ATOM 677 N PHE A 77 -45.594 21.143 30.084 1.00 19.19 N ATOM 678 CA PHE A 77 -46.891 21.004 29.432 1.00 18.76 C ATOM 679 C PHE A 77 -48.025 21.216 30.424 1.00 21.23 C ATOM 680 O PHE A 77 -48.463 20.269 31.081 1.00 18.31 O ATOM 681 CB PHE A 77 -47.026 19.625 28.786 1.00 23.29 C ATOM 682 CG PHE A 77 -46.107 19.409 27.620 1.00 23.21 C ATOM 683 CD1 PHE A 77 -46.536 19.661 26.326 1.00 26.46 C ATOM 684 CD2 PHE A 77 -44.817 18.956 27.817 1.00 21.64 C ATOM 685 CE1 PHE A 77 -45.692 19.461 25.252 1.00 27.86 C ATOM 686 CE2 PHE A 77 -43.968 18.754 26.748 1.00 29.45 C ATOM 687 CZ PHE A 77 -44.405 19.008 25.464 1.00 28.46 C ATOM 688 H PHE A 77 -45.381 20.547 30.909 1.00 0.00 H ATOM 689 N PRO A 78 -48.500 22.464 30.548 1.00 23.68 N ATOM 690 CA PRO A 78 -49.682 22.710 31.380 1.00 24.75 C ATOM 691 C PRO A 78 -50.901 21.976 30.838 1.00 23.74 C ATOM 692 O PRO A 78 -50.947 21.675 29.644 1.00 24.57 O ATOM 693 CB PRO A 78 -49.877 24.230 31.291 1.00 28.44 C ATOM 694 CG PRO A 78 -48.570 24.772 30.817 1.00 37.42 C ATOM 695 CD PRO A 78 -47.972 23.706 29.958 1.00 27.41 C ATOM 696 N SER A 79 -51.861 21.677 31.705 1.00 22.17 N ATOM 697 CA SER A 79 -53.161 21.193 31.263 1.00 23.67 C ATOM 698 C SER A 79 -54.134 22.362 31.320 1.00 20.19 C ATOM 699 O SER A 79 -53.719 23.507 31.495 1.00 26.03 O ATOM 700 CB SER A 79 -53.650 20.032 32.130 1.00 22.66 C ATOM 701 OG SER A 79 -54.015 20.468 33.428 1.00 23.67 O ATOM 702 HG SER A 79 -53.230 20.880 33.869 1.00 0.00 H ATOM 703 H SER A 79 -51.680 21.791 32.723 1.00 0.00 H ATOM 704 N SER A 80 -55.422 22.079 31.168 1.00 22.80 N ATOM 705 CA SER A 80 -56.438 23.114 31.324 1.00 28.18 C ATOM 706 C SER A 80 -56.954 23.111 32.758 1.00 31.37 C ATOM 707 O SER A 80 -57.968 23.738 33.064 1.00 26.71 O ATOM 708 CB SER A 80 -57.579 22.911 30.328 1.00 26.78 C ATOM 709 OG SER A 80 -57.112 23.098 29.002 1.00 28.34 O ATOM 710 HG SER A 80 -57.860 22.964 28.368 1.00 0.00 H ATOM 711 H SER A 80 -55.710 21.107 30.935 1.00 0.00 H ATOM 712 N SER A 81 -56.241 22.400 33.630 1.00 25.63 N ATOM 713 CA SER A 81 -56.511 22.410 35.063 1.00 23.18 C ATOM 714 C SER A 81 -55.272 22.911 35.807 1.00 24.91 C ATOM 715 O SER A 81 -54.168 22.424 35.564 1.00 28.42 O ATOM 716 CB SER A 81 -56.897 21.015 35.552 1.00 27.45 C ATOM 717 OG SER A 81 -56.887 20.955 36.971 1.00 25.39 O ATOM 718 HG SER A 81 -57.140 20.044 37.263 1.00 0.00 H ATOM 719 H SER A 81 -55.459 21.813 33.274 1.00 0.00 H ATOM 720 N PRO A 82 -55.441 23.891 36.711 1.00 22.80 N ATOM 721 CA PRO A 82 -54.280 24.397 37.454 1.00 27.05 C ATOM 722 C PRO A 82 -53.694 23.374 38.426 1.00 23.42 C ATOM 723 O PRO A 82 -52.621 23.604 38.987 1.00 25.71 O ATOM 724 CB PRO A 82 -54.848 25.602 38.212 1.00 32.42 C ATOM 725 CG PRO A 82 -56.297 25.326 38.330 1.00 38.14 C ATOM 726 CD PRO A 82 -56.678 24.600 37.081 1.00 28.50 C ATOM 727 N ASP A 83 -54.393 22.258 38.609 1.00 17.80 N ATOM 728 CA ASP A 83 -53.999 21.237 39.574 1.00 20.83 C ATOM 729 C ASP A 83 -53.199 20.084 38.970 1.00 24.36 C ATOM 730 O ASP A 83 -52.742 19.204 39.701 1.00 19.40 O ATOM 731 CB ASP A 83 -55.242 20.670 40.258 1.00 22.37 C ATOM 732 CG ASP A 83 -55.975 21.705 41.088 1.00 38.01 C ATOM 733 OD1 ASP A 83 -55.323 22.652 41.577 1.00 33.25 O ATOM 734 OD2 ASP A 83 -57.204 21.568 41.256 1.00 45.19 O ATOM 735 H ASP A 83 -55.253 22.107 38.043 1.00 0.00 H ATOM 736 N GLU A 84 -53.040 20.076 37.650 1.00 22.90 N ATOM 737 CA GLU A 84 -52.297 19.008 36.985 1.00 21.32 C ATOM 738 C GLU A 84 -51.393 19.556 35.891 1.00 23.08 C ATOM 739 O GLU A 84 -51.782 20.438 35.124 1.00 23.97 O ATOM 740 CB GLU A 84 -53.258 17.966 36.407 1.00 22.10 C ATOM 741 CG GLU A 84 -54.117 17.286 37.462 1.00 28.86 C ATOM 742 CD GLU A 84 -54.707 15.970 36.990 1.00 34.08 C ATOM 743 OE1 GLU A 84 -53.936 15.092 36.542 1.00 30.34 O ATOM 744 OE2 GLU A 84 -55.943 15.810 37.072 1.00 31.43 O ATOM 745 H GLU A 84 -53.452 20.843 37.081 1.00 0.00 H ATOM 746 N ILE A 85 -50.179 19.019 35.836 1.00 19.84 N ATOM 747 CA ILE A 85 -49.162 19.491 34.910 1.00 18.17 C ATOM 748 C ILE A 85 -48.234 18.342 34.526 1.00 19.68 C ATOM 749 O ILE A 85 -48.106 17.366 35.268 1.00 17.34 O ATOM 750 CB ILE A 85 -48.345 20.645 35.527 1.00 17.22 C ATOM 751 CG1 ILE A 85 -47.478 21.324 34.465 1.00 20.63 C ATOM 752 CG2 ILE A 85 -47.493 20.144 36.695 1.00 17.38 C ATOM 753 CD1 ILE A 85 -46.972 22.692 34.888 1.00 26.78 C ATOM 754 H ILE A 85 -49.948 18.234 36.478 1.00 0.00 H ATOM 755 N ALA A 86 -47.602 18.459 33.362 1.00 17.20 N ATOM 756 CA ALA A 86 -46.624 17.474 32.912 1.00 20.57 C ATOM 757 C ALA A 86 -45.322 18.160 32.501 1.00 19.15 C ATOM 758 O ALA A 86 -45.334 19.286 32.001 1.00 20.31 O ATOM 759 CB ALA A 86 -47.187 16.657 31.760 1.00 20.44 C ATOM 760 H ALA A 86 -47.811 19.277 32.754 1.00 0.00 H ATOM 761 N HIS A 87 -44.205 17.477 32.730 1.00 16.84 N ATOM 762 CA HIS A 87 -42.885 17.989 32.376 1.00 18.57 C ATOM 763 C HIS A 87 -42.069 16.924 31.663 1.00 19.35 C ATOM 764 O HIS A 87 -42.176 15.739 31.980 1.00 22.70 O ATOM 765 CB HIS A 87 -42.102 18.437 33.616 1.00 25.89 C ATOM 766 CG HIS A 87 -42.728 19.566 34.374 1.00 24.67 C ATOM 767 ND1 HIS A 87 -42.597 20.883 33.990 1.00 24.72 N ATOM 768 CD2 HIS A 87 -43.451 19.578 35.518 1.00 23.50 C ATOM 769 CE1 HIS A 87 -43.232 21.656 34.854 1.00 29.62 C ATOM 770 NE2 HIS A 87 -43.758 20.889 35.790 1.00 25.68 N ATOM 771 H HIS A 87 -44.274 16.541 33.179 1.00 0.00 H ATOM 772 N ILE A 88 -41.250 17.355 30.711 1.00 20.17 N ATOM 773 CA ILE A 88 -40.143 16.539 30.233 1.00 23.00 C ATOM 774 C ILE A 88 -38.931 16.880 31.088 1.00 21.06 C ATOM 775 O ILE A 88 -38.423 18.000 31.023 1.00 22.09 O ATOM 776 CB ILE A 88 -39.808 16.790 28.752 1.00 22.07 C ATOM 777 CG1 ILE A 88 -41.070 16.743 27.887 1.00 30.89 C ATOM 778 CG2 ILE A 88 -38.773 15.778 28.267 1.00 27.90 C ATOM 779 CD1 ILE A 88 -41.838 15.450 27.977 1.00 31.91 C ATOM 780 H ILE A 88 -41.403 18.297 30.297 1.00 0.00 H ATOM 781 N LEU A 89 -38.482 15.923 31.893 1.00 18.58 N ATOM 782 CA LEU A 89 -37.359 16.144 32.796 1.00 25.81 C ATOM 783 C LEU A 89 -36.197 15.220 32.472 1.00 23.02 C ATOM 784 O LEU A 89 -36.396 14.096 32.015 1.00 21.54 O ATOM 785 CB LEU A 89 -37.780 15.931 34.252 1.00 24.95 C ATOM 786 CG LEU A 89 -38.962 16.754 34.768 1.00 28.57 C ATOM 787 CD1 LEU A 89 -39.219 16.440 36.233 1.00 28.74 C ATOM 788 CD2 LEU A 89 -38.718 18.240 34.576 1.00 29.81 C ATOM 789 H LEU A 89 -38.944 14.991 31.879 1.00 0.00 H ATOM 790 N VAL A 90 -34.988 15.717 32.706 1.00 22.28 N ATOM 791 CA VAL A 90 -33.786 14.897 32.678 1.00 23.54 C ATOM 792 C VAL A 90 -33.243 14.816 34.100 1.00 24.77 C ATOM 793 O VAL A 90 -32.920 15.839 34.706 1.00 27.98 O ATOM 794 CB VAL A 90 -32.716 15.474 31.733 1.00 29.08 C ATOM 795 CG1 VAL A 90 -31.502 14.557 31.678 1.00 33.42 C ATOM 796 CG2 VAL A 90 -33.293 15.680 30.339 1.00 32.76 C ATOM 797 H VAL A 90 -34.897 16.731 32.917 1.00 0.00 H ATOM 798 N ALA A 91 -33.169 13.600 34.634 1.00 24.58 N ATOM 799 CA ALA A 91 -32.674 13.379 35.988 1.00 23.87 C ATOM 800 C ALA A 91 -31.311 12.698 35.945 1.00 33.35 C ATOM 801 O ALA A 91 -31.191 11.555 35.502 1.00 30.66 O ATOM 802 CB ALA A 91 -33.660 12.547 36.786 1.00 24.02 C ATOM 803 H ALA A 91 -33.473 12.782 34.069 1.00 0.00 H ATOM 804 N HIS A 92 -30.291 13.418 36.401 1.00 26.93 N ATOM 805 CA HIS A 92 -28.924 12.913 36.437 1.00 28.69 C ATOM 806 C HIS A 92 -28.496 12.669 37.880 1.00 29.95 C ATOM 807 O HIS A 92 -28.551 13.576 38.713 1.00 28.41 O ATOM 808 CB HIS A 92 -27.976 13.901 35.756 1.00 32.42 C ATOM 809 CG HIS A 92 -26.558 13.428 35.681 1.00 46.56 C ATOM 810 ND1 HIS A 92 -25.708 13.446 36.767 1.00 48.58 N ATOM 811 CD2 HIS A 92 -25.839 12.926 34.649 1.00 47.15 C ATOM 812 CE1 HIS A 92 -24.528 12.974 36.406 1.00 48.87 C ATOM 813 NE2 HIS A 92 -24.581 12.651 35.127 1.00 48.89 N ATOM 814 H HIS A 92 -30.476 14.381 36.746 1.00 0.00 H ATOM 815 N SER A 93 -28.081 11.439 38.169 1.00 27.74 N ATOM 816 CA SER A 93 -27.660 11.056 39.513 1.00 30.54 C ATOM 817 C SER A 93 -26.165 10.762 39.549 1.00 41.16 C ATOM 818 O SER A 93 -25.611 10.199 38.607 1.00 36.06 O ATOM 819 CB SER A 93 -28.439 9.831 39.995 1.00 34.86 C ATOM 820 OG SER A 93 -29.833 10.014 39.835 1.00 41.55 O ATOM 821 HG SER A 93 -30.038 10.162 38.878 1.00 0.00 H ATOM 822 H SER A 93 -28.056 10.726 37.412 1.00 0.00 H ATOM 823 N GLU A 94 -25.525 11.160 40.643 1.00 30.65 N ATOM 824 CA GLU A 94 -24.114 10.877 40.872 1.00 33.51 C ATOM 825 C GLU A 94 -23.919 10.420 42.313 1.00 47.50 C ATOM 826 O GLU A 94 -24.169 11.175 43.253 1.00 39.70 O ATOM 827 CB GLU A 94 -23.256 12.107 40.573 1.00 35.40 C ATOM 828 CG GLU A 94 -21.782 11.925 40.901 1.00 51.61 C ATOM 829 H GLU A 94 -26.051 11.694 41.364 1.00 0.00 H ATOM 830 N PHE A 95 -23.474 9.178 42.475 1.00 45.42 N ATOM 831 CA PHE A 95 -23.377 8.551 43.788 1.00 55.78 C ATOM 832 C PHE A 95 -21.957 8.640 44.331 1.00 62.26 C ATOM 833 O PHE A 95 -21.020 8.965 43.600 1.00 55.78 O ATOM 834 CB PHE A 95 -23.825 7.089 43.712 1.00 53.17 C ATOM 835 CG PHE A 95 -25.113 6.890 42.960 1.00 50.37 C ATOM 836 CD1 PHE A 95 -26.322 6.802 43.631 1.00 57.20 C ATOM 837 CD2 PHE A 95 -25.113 6.801 41.578 1.00 57.73 C ATOM 838 CE1 PHE A 95 -27.506 6.624 42.934 1.00 56.71 C ATOM 839 CE2 PHE A 95 -26.290 6.625 40.878 1.00 55.87 C ATOM 840 CZ PHE A 95 -27.488 6.536 41.556 1.00 53.81 C ATOM 841 H PHE A 95 -23.185 8.635 41.637 1.00 0.00 H ATOM 842 N ASP A 96 -21.809 8.352 45.620 1.00 69.23 N ATOM 843 CA ASP A 96 -20.508 8.389 46.277 1.00 70.06 C ATOM 844 C ASP A 96 -19.585 7.322 45.703 1.00 75.01 C ATOM 845 O ASP A 96 -19.759 6.132 45.965 1.00 74.62 O ATOM 846 CB ASP A 96 -20.665 8.194 47.787 1.00 71.79 C ATOM 847 H ASP A 96 -22.648 8.092 46.178 1.00 0.00 H ATOM 848 N GLY A 97 -18.607 7.759 44.916 1.00 69.13 N ATOM 849 CA GLY A 97 -17.667 6.855 44.279 1.00 71.55 C ATOM 850 C GLY A 97 -17.336 7.299 42.868 1.00 71.57 C ATOM 851 O GLY A 97 -16.202 7.148 42.410 1.00 76.33 O ATOM 852 H GLY A 97 -18.512 8.782 44.751 1.00 0.00 H ATOM 853 N GLY A 98 -18.334 7.851 42.183 1.00 65.30 N ATOM 854 CA GLY A 98 -18.167 8.339 40.826 1.00 64.13 C ATOM 855 C GLY A 98 -19.194 7.763 39.869 1.00 60.08 C ATOM 856 O GLY A 98 -19.351 8.257 38.753 1.00 48.01 O ATOM 857 H GLY A 98 -19.267 7.936 42.636 1.00 0.00 H ATOM 858 N PHE A 99 -19.893 6.718 40.302 1.00 59.19 N ATOM 859 CA PHE A 99 -20.914 6.087 39.474 1.00 59.35 C ATOM 860 C PHE A 99 -22.062 7.057 39.211 1.00 57.70 C ATOM 861 O PHE A 99 -22.472 7.796 40.106 1.00 49.09 O ATOM 862 CB PHE A 99 -21.437 4.814 40.143 1.00 55.36 C ATOM 863 CG PHE A 99 -22.500 4.109 39.352 1.00 66.13 C ATOM 864 CD1 PHE A 99 -22.165 3.323 38.262 1.00 75.18 C ATOM 865 CD2 PHE A 99 -23.835 4.232 39.698 1.00 63.67 C ATOM 866 CE1 PHE A 99 -23.142 2.674 37.530 1.00 68.61 C ATOM 867 CE2 PHE A 99 -24.817 3.585 38.971 1.00 62.75 C ATOM 868 CZ PHE A 99 -24.470 2.805 37.886 1.00 62.15 C ATOM 869 H PHE A 99 -19.707 6.342 41.254 1.00 0.00 H ATOM 870 N THR A 100 -22.569 7.057 37.981 1.00 52.00 N ATOM 871 CA THR A 100 -23.651 7.958 37.594 1.00 36.57 C ATOM 872 C THR A 100 -24.737 7.251 36.795 1.00 44.83 C ATOM 873 O THR A 100 -24.494 6.229 36.153 1.00 38.10 O ATOM 874 CB THR A 100 -23.129 9.138 36.749 1.00 40.94 C ATOM 875 OG1 THR A 100 -22.540 8.642 35.540 1.00 51.37 O ATOM 876 CG2 THR A 100 -22.099 9.943 37.523 1.00 46.70 C ATOM 877 HG1 THR A 100 -23.221 8.143 35.023 1.00 0.00 H ATOM 878 H THR A 100 -22.184 6.397 37.275 1.00 0.00 H ATOM 879 N SER A 101 -25.940 7.811 36.848 1.00 33.06 N ATOM 880 CA SER A 101 -27.049 7.359 36.024 1.00 26.70 C ATOM 881 C SER A 101 -27.790 8.583 35.514 1.00 33.03 C ATOM 882 O SER A 101 -27.805 9.627 36.168 1.00 32.23 O ATOM 883 CB SER A 101 -27.992 6.445 36.809 1.00 36.54 C ATOM 884 OG SER A 101 -28.750 7.177 37.758 1.00 37.32 O ATOM 885 HG SER A 101 -29.292 7.861 37.290 1.00 0.00 H ATOM 886 H SER A 101 -26.095 8.603 37.504 1.00 0.00 H ATOM 887 N GLU A 102 -28.392 8.458 34.340 1.00 26.55 N ATOM 888 CA GLU A 102 -29.182 9.541 33.781 1.00 28.97 C ATOM 889 C GLU A 102 -30.376 8.981 33.032 1.00 37.16 C ATOM 890 O GLU A 102 -30.287 7.946 32.367 1.00 26.99 O ATOM 891 CB GLU A 102 -28.341 10.419 32.853 1.00 35.14 C ATOM 892 CG GLU A 102 -29.153 11.501 32.147 1.00 37.48 C ATOM 893 CD GLU A 102 -28.293 12.485 31.378 1.00 56.30 C ATOM 894 OE1 GLU A 102 -27.588 13.291 32.020 1.00 58.75 O ATOM 895 OE2 GLU A 102 -28.327 12.454 30.130 1.00 67.27 O ATOM 896 H GLU A 102 -28.297 7.569 33.810 1.00 0.00 H ATOM 897 N VAL A 103 -31.499 9.675 33.148 1.00 28.97 N ATOM 898 CA VAL A 103 -32.700 9.286 32.436 1.00 34.92 C ATOM 899 C VAL A 103 -33.563 10.494 32.112 1.00 28.13 C ATOM 900 O VAL A 103 -33.553 11.498 32.825 1.00 22.34 O ATOM 901 CB VAL A 103 -33.523 8.266 33.242 1.00 34.78 C ATOM 902 CG1 VAL A 103 -34.146 8.909 34.480 1.00 36.25 C ATOM 903 CG2 VAL A 103 -34.582 7.621 32.362 1.00 40.46 C ATOM 904 H VAL A 103 -31.519 10.515 33.761 1.00 0.00 H ATOM 905 N ARG A 104 -34.301 10.372 31.018 1.00 29.00 N ATOM 906 CA ARG A 104 -35.178 11.422 30.533 1.00 29.59 C ATOM 907 C ARG A 104 -36.561 10.835 30.309 1.00 28.70 C ATOM 908 O ARG A 104 -36.695 9.788 29.684 1.00 27.57 O ATOM 909 CB ARG A 104 -34.614 12.020 29.245 1.00 27.43 C ATOM 910 CG ARG A 104 -35.554 12.927 28.476 1.00 30.17 C ATOM 911 CD ARG A 104 -34.851 13.475 27.247 1.00 30.18 C ATOM 912 NE ARG A 104 -35.724 14.309 26.425 1.00 32.19 N ATOM 913 CZ ARG A 104 -36.548 13.846 25.491 1.00 33.28 C ATOM 914 NH1 ARG A 104 -36.632 12.543 25.251 1.00 31.25 N ATOM 915 NH2 ARG A 104 -37.295 14.689 24.795 1.00 28.80 N ATOM 916 HE ARG A 104 -35.699 15.337 26.582 1.00 0.00 H ATOM 917 HH12 ARG A 104 -37.280 12.190 24.518 1.00 0.00 H ATOM 918 HH11 ARG A 104 -36.050 11.875 25.796 1.00 0.00 H ATOM 919 HH22 ARG A 104 -37.941 14.329 24.063 1.00 0.00 H ATOM 920 HH21 ARG A 104 -37.236 15.711 24.980 1.00 0.00 H ATOM 921 H ARG A 104 -34.249 9.482 30.482 1.00 0.00 H ATOM 922 N GLY A 105 -37.589 11.495 30.830 1.00 24.21 N ATOM 923 CA GLY A 105 -38.938 10.979 30.704 1.00 22.59 C ATOM 924 C GLY A 105 -40.007 12.021 30.955 1.00 24.42 C ATOM 925 O GLY A 105 -39.706 13.177 31.264 1.00 21.56 O ATOM 926 H GLY A 105 -37.425 12.390 31.333 1.00 0.00 H ATOM 927 N VAL A 106 -41.258 11.602 30.802 1.00 22.29 N ATOM 928 CA VAL A 106 -42.404 12.445 31.113 1.00 17.51 C ATOM 929 C VAL A 106 -42.768 12.263 32.574 1.00 19.48 C ATOM 930 O VAL A 106 -42.914 11.135 33.047 1.00 20.42 O ATOM 931 CB VAL A 106 -43.634 12.108 30.242 1.00 20.56 C ATOM 932 CG1 VAL A 106 -44.872 12.876 30.723 1.00 23.54 C ATOM 933 CG2 VAL A 106 -43.357 12.422 28.789 1.00 26.17 C ATOM 934 H VAL A 106 -41.425 10.639 30.448 1.00 0.00 H ATOM 935 N PHE A 107 -42.919 13.376 33.280 1.00 18.78 N ATOM 936 CA PHE A 107 -43.350 13.351 34.666 1.00 19.00 C ATOM 937 C PHE A 107 -44.620 14.165 34.842 1.00 18.53 C ATOM 938 O PHE A 107 -44.664 15.347 34.502 1.00 20.02 O ATOM 939 CB PHE A 107 -42.240 13.872 35.575 1.00 20.72 C ATOM 940 CG PHE A 107 -41.032 12.984 35.603 1.00 19.40 C ATOM 941 CD1 PHE A 107 -40.921 11.974 36.542 1.00 23.31 C ATOM 942 CD2 PHE A 107 -40.023 13.140 34.670 1.00 22.18 C ATOM 943 CE1 PHE A 107 -39.816 11.144 36.558 1.00 29.68 C ATOM 944 CE2 PHE A 107 -38.915 12.316 34.684 1.00 25.57 C ATOM 945 CZ PHE A 107 -38.812 11.317 35.629 1.00 21.89 C ATOM 946 H PHE A 107 -42.723 14.292 32.828 1.00 0.00 H ATOM 947 N THR A 108 -45.654 13.515 35.363 1.00 17.34 N ATOM 948 CA THR A 108 -46.934 14.167 35.599 1.00 17.00 C ATOM 949 C THR A 108 -47.109 14.424 37.087 1.00 19.33 C ATOM 950 O THR A 108 -46.727 13.599 37.922 1.00 20.01 O ATOM 951 CB THR A 108 -48.113 13.325 35.077 1.00 16.48 C ATOM 952 OG1 THR A 108 -48.166 12.075 35.776 1.00 19.29 O ATOM 953 CG2 THR A 108 -47.969 13.070 33.582 1.00 20.29 C ATOM 954 HG1 THR A 108 -48.926 11.540 35.435 1.00 0.00 H ATOM 955 H THR A 108 -45.546 12.510 35.610 1.00 0.00 H ATOM 956 N TYR A 109 -47.680 15.582 37.404 1.00 18.38 N ATOM 957 CA TYR A 109 -47.910 15.999 38.780 1.00 17.75 C ATOM 958 C TYR A 109 -49.386 16.303 38.986 1.00 23.31 C ATOM 959 O TYR A 109 -50.040 16.853 38.098 1.00 19.01 O ATOM 960 CB TYR A 109 -47.090 17.246 39.127 1.00 15.15 C ATOM 961 CG TYR A 109 -45.586 17.094 39.067 1.00 19.11 C ATOM 962 CD1 TYR A 109 -44.826 17.114 40.229 1.00 19.92 C ATOM 963 CD2 TYR A 109 -44.923 16.959 37.854 1.00 24.56 C ATOM 964 CE1 TYR A 109 -43.450 16.995 40.188 1.00 23.31 C ATOM 965 CE2 TYR A 109 -43.544 16.835 37.803 1.00 21.66 C ATOM 966 CZ TYR A 109 -42.814 16.855 38.974 1.00 25.68 C ATOM 967 OH TYR A 109 -41.445 16.734 38.936 1.00 26.58 O ATOM 968 HH TYR A 109 -41.086 16.768 39.858 1.00 0.00 H ATOM 969 H TYR A 109 -47.975 16.218 36.636 1.00 0.00 H ATOM 970 N ARG A 110 -49.904 15.939 40.153 1.00 22.05 N ATOM 971 CA ARG A 110 -51.231 16.372 40.571 1.00 20.55 C ATOM 972 C ARG A 110 -51.161 16.901 41.994 1.00 20.90 C ATOM 973 O ARG A 110 -50.486 16.317 42.844 1.00 20.03 O ATOM 974 CB ARG A 110 -52.244 15.228 40.483 1.00 21.18 C ATOM 975 CG ARG A 110 -53.656 15.628 40.897 1.00 28.07 C ATOM 976 CD ARG A 110 -54.595 14.438 40.950 1.00 35.26 C ATOM 977 NE ARG A 110 -55.961 14.845 41.272 1.00 38.41 N ATOM 978 CZ ARG A 110 -56.408 15.096 42.500 1.00 49.71 C ATOM 979 NH1 ARG A 110 -55.603 14.988 43.550 1.00 39.15 N ATOM 980 NH2 ARG A 110 -57.670 15.461 42.681 1.00 49.27 N ATOM 981 HE ARG A 110 -56.633 14.946 40.484 1.00 0.00 H ATOM 982 HH12 ARG A 110 -55.964 15.187 44.505 1.00 0.00 H ATOM 983 HH11 ARG A 110 -54.611 14.705 43.418 1.00 0.00 H ATOM 984 HH22 ARG A 110 -58.022 15.658 43.640 1.00 0.00 H ATOM 985 HH21 ARG A 110 -58.308 15.550 41.864 1.00 0.00 H ATOM 986 H ARG A 110 -49.348 15.329 40.785 1.00 0.00 H ATOM 987 N VAL A 111 -51.856 18.008 42.241 1.00 19.77 N ATOM 988 CA VAL A 111 -51.970 18.566 43.583 1.00 18.94 C ATOM 989 C VAL A 111 -53.433 18.619 44.012 1.00 22.47 C ATOM 990 O VAL A 111 -54.329 18.675 43.170 1.00 20.82 O ATOM 991 CB VAL A 111 -51.367 19.984 43.672 1.00 19.80 C ATOM 992 CG1 VAL A 111 -49.859 19.936 43.478 1.00 21.16 C ATOM 993 CG2 VAL A 111 -52.017 20.917 42.659 1.00 21.34 C ATOM 994 H VAL A 111 -52.333 18.490 41.452 1.00 0.00 H ATOM 995 N ASN A 112 -53.672 18.590 45.319 1.00 20.72 N ATOM 996 CA ASN A 112 -55.025 18.759 45.832 1.00 22.55 C ATOM 997 C ASN A 112 -55.347 20.246 45.920 1.00 23.11 C ATOM 998 O ASN A 112 -54.526 21.086 45.550 1.00 21.68 O ATOM 999 CB ASN A 112 -55.199 18.072 47.194 1.00 26.15 C ATOM 1000 CG ASN A 112 -54.223 18.569 48.249 1.00 19.61 C ATOM 1001 OD1 ASN A 112 -53.714 19.690 48.181 1.00 22.44 O ATOM 1002 ND2 ASN A 112 -53.965 17.727 49.243 1.00 21.78 N ATOM 1003 HD22 ASN A 112 -54.416 16.790 49.261 1.00 0.00 H ATOM 1004 HD21 ASN A 112 -53.312 18.004 50.003 1.00 0.00 H ATOM 1005 H ASN A 112 -52.885 18.445 45.983 1.00 0.00 H ATOM 1006 N LYS A 113 -56.541 20.571 46.400 1.00 22.77 N ATOM 1007 CA LYS A 113 -56.980 21.960 46.456 1.00 26.99 C ATOM 1008 C LYS A 113 -56.145 22.770 47.441 1.00 21.21 C ATOM 1009 O LYS A 113 -56.041 23.988 47.318 1.00 29.48 O ATOM 1010 CB LYS A 113 -58.461 22.037 46.831 1.00 25.87 C ATOM 1011 CG LYS A 113 -59.401 21.464 45.775 1.00 27.63 C ATOM 1012 CD LYS A 113 -59.281 22.205 44.449 1.00 29.64 C ATOM 1013 CE LYS A 113 -60.238 21.652 43.406 1.00 37.66 C ATOM 1014 NZ LYS A 113 -60.052 22.317 42.086 1.00 39.62 N ATOM 1015 HZ1 LYS A 113 -60.227 23.337 42.186 1.00 0.00 H ATOM 1016 HZ2 LYS A 113 -59.078 22.162 41.755 1.00 0.00 H ATOM 1017 HZ3 LYS A 113 -60.721 21.915 41.399 1.00 0.00 H ATOM 1018 H LYS A 113 -57.175 19.821 46.742 1.00 0.00 H ATOM 1019 N ALA A 114 -55.545 22.090 48.412 1.00 21.11 N ATOM 1020 CA ALA A 114 -54.643 22.745 49.349 1.00 23.17 C ATOM 1021 C ALA A 114 -53.296 23.046 48.690 1.00 31.17 C ATOM 1022 O ALA A 114 -52.479 23.780 49.245 1.00 29.78 O ATOM 1023 CB ALA A 114 -54.452 21.883 50.586 1.00 26.23 C ATOM 1024 H ALA A 114 -55.723 21.070 48.505 1.00 0.00 H ATOM 1025 N GLY A 115 -53.070 22.479 47.507 1.00 25.04 N ATOM 1026 CA GLY A 115 -51.862 22.744 46.743 1.00 22.17 C ATOM 1027 C GLY A 115 -50.743 21.753 47.010 1.00 23.36 C ATOM 1028 O GLY A 115 -49.609 21.958 46.573 1.00 23.64 O ATOM 1029 H GLY A 115 -53.780 21.826 47.117 1.00 0.00 H ATOM 1030 N LEU A 116 -51.065 20.675 47.717 1.00 23.59 N ATOM 1031 CA LEU A 116 -50.086 19.648 48.060 1.00 21.66 C ATOM 1032 C LEU A 116 -50.100 18.500 47.053 1.00 21.46 C ATOM 1033 O LEU A 116 -51.155 18.105 46.561 1.00 17.81 O ATOM 1034 CB LEU A 116 -50.357 19.115 49.466 1.00 24.76 C ATOM 1035 CG LEU A 116 -50.320 20.170 50.576 1.00 25.15 C ATOM 1036 CD1 LEU A 116 -50.810 19.580 51.890 1.00 27.50 C ATOM 1037 CD2 LEU A 116 -48.917 20.738 50.735 1.00 30.14 C ATOM 1038 H LEU A 116 -52.048 20.559 48.037 1.00 0.00 H ATOM 1039 N ILE A 117 -48.919 17.960 46.768 1.00 20.67 N ATOM 1040 CA ILE A 117 -48.768 16.909 45.763 1.00 18.42 C ATOM 1041 C ILE A 117 -49.405 15.597 46.208 1.00 19.53 C ATOM 1042 O ILE A 117 -49.056 15.043 47.253 1.00 20.92 O ATOM 1043 CB ILE A 117 -47.277 16.664 45.439 1.00 21.68 C ATOM 1044 CG1 ILE A 117 -46.659 17.924 44.827 1.00 18.83 C ATOM 1045 CG2 ILE A 117 -47.111 15.481 44.481 1.00 20.85 C ATOM 1046 CD1 ILE A 117 -45.139 17.898 44.753 1.00 23.67 C ATOM 1047 H ILE A 117 -48.076 18.296 47.276 1.00 0.00 H ATOM 1048 N THR A 118 -50.330 15.100 45.392 1.00 18.30 N ATOM 1049 CA THR A 118 -50.990 13.826 45.649 1.00 18.93 C ATOM 1050 C THR A 118 -50.448 12.730 44.737 1.00 20.74 C ATOM 1051 O THR A 118 -50.497 11.549 45.079 1.00 22.46 O ATOM 1052 CB THR A 118 -52.513 13.923 45.444 1.00 23.84 C ATOM 1053 OG1 THR A 118 -52.793 14.319 44.096 1.00 23.16 O ATOM 1054 CG2 THR A 118 -53.124 14.928 46.409 1.00 27.33 C ATOM 1055 HG1 THR A 118 -52.419 13.648 43.472 1.00 0.00 H ATOM 1056 H THR A 118 -50.591 15.639 44.542 1.00 0.00 H ATOM 1057 N ASN A 119 -49.944 13.125 43.571 1.00 19.31 N ATOM 1058 CA ASN A 119 -49.434 12.167 42.594 1.00 20.70 C ATOM 1059 C ASN A 119 -48.216 12.681 41.846 1.00 22.43 C ATOM 1060 O ASN A 119 -48.197 13.816 41.369 1.00 23.31 O ATOM 1061 CB ASN A 119 -50.521 11.806 41.581 1.00 22.48 C ATOM 1062 CG ASN A 119 -51.748 11.210 42.232 1.00 29.36 C ATOM 1063 OD1 ASN A 119 -52.657 11.931 42.642 1.00 25.63 O ATOM 1064 ND2 ASN A 119 -51.783 9.887 42.330 1.00 23.53 N ATOM 1065 HD22 ASN A 119 -50.991 9.318 41.969 1.00 0.00 H ATOM 1066 HD21 ASN A 119 -52.602 9.419 42.768 1.00 0.00 H ATOM 1067 H ASN A 119 -49.912 14.141 43.350 1.00 0.00 H ATOM 1068 N LEU A 120 -47.204 11.828 41.756 1.00 17.63 N ATOM 1069 CA LEU A 120 -46.041 12.071 40.916 1.00 18.47 C ATOM 1070 C LEU A 120 -45.719 10.774 40.184 1.00 24.11 C ATOM 1071 O LEU A 120 -45.422 9.759 40.815 1.00 21.37 O ATOM 1072 CB LEU A 120 -44.852 12.550 41.749 1.00 21.91 C ATOM 1073 CG LEU A 120 -43.493 12.613 41.047 1.00 24.80 C ATOM 1074 CD1 LEU A 120 -43.567 13.405 39.750 1.00 25.66 C ATOM 1075 CD2 LEU A 120 -42.465 13.222 41.987 1.00 31.95 C ATOM 1076 H LEU A 120 -47.244 10.948 42.309 1.00 0.00 H ATOM 1077 N ARG A 121 -45.799 10.810 38.858 1.00 20.00 N ATOM 1078 CA ARG A 121 -45.674 9.605 38.042 1.00 18.20 C ATOM 1079 C ARG A 121 -44.686 9.833 36.907 1.00 20.91 C ATOM 1080 O ARG A 121 -44.751 10.851 36.219 1.00 23.70 O ATOM 1081 CB ARG A 121 -47.037 9.196 37.485 1.00 24.84 C ATOM 1082 CG ARG A 121 -48.187 9.416 38.457 1.00 23.11 C ATOM 1083 CD ARG A 121 -49.495 8.881 37.908 1.00 26.95 C ATOM 1084 NE ARG A 121 -49.559 7.419 37.957 1.00 28.69 N ATOM 1085 CZ ARG A 121 -49.906 6.628 36.943 1.00 31.66 C ATOM 1086 NH1 ARG A 121 -50.233 7.131 35.758 1.00 26.63 N ATOM 1087 NH2 ARG A 121 -49.928 5.313 37.116 1.00 27.82 N ATOM 1088 HE ARG A 121 -49.313 6.960 38.858 1.00 0.00 H ATOM 1089 HH12 ARG A 121 -50.501 6.496 34.979 1.00 0.00 H ATOM 1090 HH11 ARG A 121 -50.221 8.160 35.609 1.00 0.00 H ATOM 1091 HH22 ARG A 121 -50.198 4.689 36.329 1.00 0.00 H ATOM 1092 HH21 ARG A 121 -49.675 4.906 38.039 1.00 0.00 H ATOM 1093 H ARG A 121 -45.955 11.724 38.387 1.00 0.00 H ATOM 1094 N GLY A 122 -43.779 8.878 36.715 1.00 20.92 N ATOM 1095 CA GLY A 122 -42.724 8.999 35.727 1.00 20.77 C ATOM 1096 C GLY A 122 -42.831 7.965 34.623 1.00 25.46 C ATOM 1097 O GLY A 122 -43.014 6.775 34.890 1.00 22.73 O ATOM 1098 H GLY A 122 -43.828 8.015 37.293 1.00 0.00 H ATOM 1099 N TYR A 123 -42.720 8.427 33.380 1.00 18.75 N ATOM 1100 CA TYR A 123 -42.758 7.552 32.213 1.00 20.82 C ATOM 1101 C TYR A 123 -41.361 7.314 31.649 1.00 21.63 C ATOM 1102 O TYR A 123 -40.860 8.108 30.854 1.00 24.11 O ATOM 1103 CB TYR A 123 -43.657 8.149 31.130 1.00 19.20 C ATOM 1104 CG TYR A 123 -45.122 8.195 31.507 1.00 23.14 C ATOM 1105 CD1 TYR A 123 -46.011 7.237 31.038 1.00 20.45 C ATOM 1106 CD2 TYR A 123 -45.615 9.193 32.338 1.00 20.72 C ATOM 1107 CE1 TYR A 123 -47.349 7.274 31.381 1.00 19.58 C ATOM 1108 CE2 TYR A 123 -46.951 9.238 32.686 1.00 22.25 C ATOM 1109 CZ TYR A 123 -47.815 8.275 32.203 1.00 18.78 C ATOM 1110 OH TYR A 123 -49.151 8.311 32.546 1.00 21.49 O ATOM 1111 HH TYR A 123 -49.240 8.241 33.530 1.00 0.00 H ATOM 1112 H TYR A 123 -42.602 9.450 33.235 1.00 0.00 H ATOM 1113 N TRP A 124 -40.733 6.224 32.076 1.00 23.46 N ATOM 1114 CA TRP A 124 -39.471 5.786 31.493 1.00 25.36 C ATOM 1115 C TRP A 124 -39.227 4.328 31.852 1.00 27.32 C ATOM 1116 O TRP A 124 -39.924 3.770 32.701 1.00 25.20 O ATOM 1117 CB TRP A 124 -38.307 6.653 31.979 1.00 23.73 C ATOM 1118 CG TRP A 124 -37.677 6.172 33.267 1.00 33.48 C ATOM 1119 CD1 TRP A 124 -36.731 5.191 33.405 1.00 38.35 C ATOM 1120 CD2 TRP A 124 -37.943 6.655 34.590 1.00 29.10 C ATOM 1121 NE1 TRP A 124 -36.395 5.037 34.726 1.00 33.41 N ATOM 1122 CE2 TRP A 124 -37.125 5.921 35.475 1.00 35.18 C ATOM 1123 CE3 TRP A 124 -38.791 7.634 35.113 1.00 26.35 C ATOM 1124 CZ2 TRP A 124 -37.133 6.136 36.850 1.00 31.62 C ATOM 1125 CZ3 TRP A 124 -38.797 7.843 36.480 1.00 28.88 C ATOM 1126 CH2 TRP A 124 -37.974 7.096 37.332 1.00 27.55 C ATOM 1127 HE1 TRP A 124 -35.699 4.359 35.098 1.00 0.00 H ATOM 1128 H TRP A 124 -41.153 5.668 32.848 1.00 0.00 H ATOM 1129 N ASN A 125 -38.239 3.719 31.202 1.00 28.06 N ATOM 1130 CA ASN A 125 -37.781 2.384 31.568 1.00 32.89 C ATOM 1131 C ASN A 125 -36.262 2.281 31.449 1.00 31.20 C ATOM 1132 O ASN A 125 -35.597 3.246 31.072 1.00 26.39 O ATOM 1133 CB ASN A 125 -38.464 1.321 30.700 1.00 35.10 C ATOM 1134 CG ASN A 125 -38.266 1.556 29.212 1.00 30.97 C ATOM 1135 OD1 ASN A 125 -37.279 2.155 28.787 1.00 37.39 O ATOM 1136 ND2 ASN A 125 -39.212 1.084 28.412 1.00 37.76 N ATOM 1137 HD22 ASN A 125 -40.030 0.583 28.813 1.00 0.00 H ATOM 1138 HD21 ASN A 125 -39.136 1.215 27.383 1.00 0.00 H ATOM 1139 H ASN A 125 -37.779 4.210 30.409 1.00 0.00 H ATOM 1140 N LEU A 126 -35.722 1.109 31.769 1.00 38.29 N ATOM 1141 CA LEU A 126 -34.276 0.903 31.782 1.00 38.39 C ATOM 1142 C LEU A 126 -33.635 1.159 30.421 1.00 39.15 C ATOM 1143 O LEU A 126 -32.493 1.611 30.344 1.00 43.70 O ATOM 1144 CB LEU A 126 -33.951 -0.521 32.241 1.00 43.73 C ATOM 1145 CG LEU A 126 -32.465 -0.885 32.321 1.00 50.69 C ATOM 1146 CD1 LEU A 126 -31.730 -0.009 33.326 1.00 47.91 C ATOM 1147 H LEU A 126 -36.347 0.316 32.017 1.00 0.00 H ATOM 1148 N ASP A 127 -34.367 0.865 29.353 1.00 34.73 N ATOM 1149 CA ASP A 127 -33.849 1.044 28.000 1.00 33.34 C ATOM 1150 C ASP A 127 -33.491 2.502 27.727 1.00 38.13 C ATOM 1151 O ASP A 127 -32.579 2.794 26.951 1.00 34.42 O ATOM 1152 CB ASP A 127 -34.872 0.558 26.971 1.00 41.14 C ATOM 1153 H ASP A 127 -35.332 0.499 29.483 1.00 0.00 H ATOM 1154 N MET A 128 -34.210 3.411 28.378 1.00 30.33 N ATOM 1155 CA MET A 128 -34.009 4.844 28.191 1.00 30.77 C ATOM 1156 C MET A 128 -32.927 5.386 29.125 1.00 29.28 C ATOM 1157 O MET A 128 -32.523 6.544 29.011 1.00 35.21 O ATOM 1158 CB MET A 128 -35.326 5.587 28.423 1.00 25.98 C ATOM 1159 CG MET A 128 -36.437 5.167 27.466 1.00 31.87 C ATOM 1160 SD MET A 128 -38.092 5.479 28.108 1.00 37.22 S ATOM 1161 CE MET A 128 -38.051 7.260 28.288 1.00 38.81 C ATOM 1162 H MET A 128 -34.941 3.090 29.044 1.00 0.00 H ATOM 1163 N MET A 129 -32.463 4.543 30.043 1.00 30.10 N ATOM 1164 CA MET A 129 -31.429 4.931 30.998 1.00 34.27 C ATOM 1165 C MET A 129 -30.032 4.723 30.429 1.00 39.36 C ATOM 1166 O MET A 129 -29.826 3.885 29.552 1.00 44.75 O ATOM 1167 CB MET A 129 -31.560 4.128 32.294 1.00 36.97 C ATOM 1168 CG MET A 129 -32.706 4.548 33.192 1.00 47.18 C ATOM 1169 SD MET A 129 -32.471 4.014 34.900 1.00 71.66 S ATOM 1170 CE MET A 129 -31.043 4.987 35.379 1.00 41.19 C ATOM 1171 H MET A 129 -32.848 3.578 30.082 1.00 0.00 H ATOM 1172 N THR A 130 -29.079 5.497 30.938 1.00 29.68 N ATOM 1173 CA THR A 130 -27.665 5.275 30.656 1.00 33.60 C ATOM 1174 C THR A 130 -26.872 5.407 31.949 1.00 39.68 C ATOM 1175 O THR A 130 -27.288 6.111 32.871 1.00 33.96 O ATOM 1176 CB THR A 130 -27.119 6.261 29.614 1.00 32.56 C ATOM 1177 OG1 THR A 130 -27.424 7.602 30.011 1.00 35.65 O ATOM 1178 CG2 THR A 130 -27.729 5.985 28.250 1.00 40.21 C ATOM 1179 HG1 THR A 130 -27.070 8.233 29.336 1.00 0.00 H ATOM 1180 H THR A 130 -29.350 6.287 31.558 1.00 0.00 H ATOM 1181 N PHE A 131 -25.732 4.725 32.006 1.00 31.26 N ATOM 1182 CA PHE A 131 -24.917 4.673 33.213 1.00 33.26 C ATOM 1183 C PHE A 131 -23.476 5.070 32.921 1.00 45.38 C ATOM 1184 O PHE A 131 -22.981 4.879 31.809 1.00 51.69 O ATOM 1185 CB PHE A 131 -24.963 3.270 33.819 1.00 31.94 C ATOM 1186 CG PHE A 131 -26.353 2.777 34.096 1.00 33.79 C ATOM 1187 CD1 PHE A 131 -27.003 3.119 35.269 1.00 36.74 C ATOM 1188 CD2 PHE A 131 -27.010 1.969 33.183 1.00 37.82 C ATOM 1189 CE1 PHE A 131 -28.283 2.667 35.525 1.00 37.45 C ATOM 1190 CE2 PHE A 131 -28.290 1.512 33.435 1.00 37.66 C ATOM 1191 CZ PHE A 131 -28.927 1.861 34.607 1.00 45.13 C ATOM 1192 H PHE A 131 -25.411 4.211 31.161 1.00 0.00 H ATOM 1193 N GLY A 132 -22.810 5.623 33.930 1.00 45.61 N ATOM 1194 CA GLY A 132 -21.427 6.042 33.803 1.00 43.88 C ATOM 1195 C GLY A 132 -20.704 5.988 35.135 1.00 51.67 C ATOM 1196 O GLY A 132 -21.064 5.204 36.014 1.00 53.26 O ATOM 1197 H GLY A 132 -23.296 5.760 34.839 1.00 0.00 H TER 1198 GLY A 132 HETATM 1199 NA NA A 1 -59.497 14.212 49.753 1.00 47.64 NA HETATM 1200 NA NA A 2 -58.405 18.325 47.212 1.00 47.55 NA HETATM 1201 O HOH 3 -33.208 17.577 27.460 1.00 37.96 O HETATM 1202 O HOH 4 -43.512 0.267 45.207 1.00 36.66 O HETATM 1203 O HOH 5 -34.618 9.650 58.004 1.00 50.60 O HETATM 1204 O HOH 6 -36.744 24.742 53.063 1.00 24.45 O HETATM 1205 O HOH 7 -33.050 8.901 28.451 1.00 36.39 O HETATM 1206 O HOH 8 -21.115 3.662 30.605 1.00 47.62 O HETATM 1207 O HOH 9 -51.777 6.020 40.465 1.00 45.65 O HETATM 1208 O HOH 10 -35.745 22.487 55.652 1.00 37.78 O HETATM 1209 O HOH 11 -52.735 10.233 46.277 1.00 34.68 O HETATM 1210 O HOH 12 -31.909 11.347 54.950 1.00 43.52 O HETATM 1211 O HOH 13 -49.863 24.948 35.111 1.00 32.09 O HETATM 1212 O HOH 14 -51.343 14.899 36.449 1.00 24.42 O HETATM 1213 O HOH 15 -30.162 16.904 34.367 1.00 35.89 O HETATM 1214 O HOH 16 -40.333 3.717 50.995 1.00 37.78 O HETATM 1215 O HOH 17 -46.718 2.168 39.367 1.00 27.55 O HETATM 1216 O HOH 18 -41.369 25.014 33.857 1.00 38.53 O HETATM 1217 O HOH 19 -47.024 21.076 54.264 1.00 41.08 O HETATM 1218 O HOH 20 -29.507 8.729 48.084 1.00 45.54 O HETATM 1219 O HOH 21 -28.063 15.754 32.893 1.00 48.45 O HETATM 1220 O HOH 22 -26.022 15.042 39.415 1.00 35.40 O HETATM 1221 O HOH 23 -42.927 24.439 25.122 1.00 46.77 O HETATM 1222 O HOH 24 -57.505 17.893 37.685 1.00 41.79 O HETATM 1223 O HOH 25 -54.457 23.407 43.994 1.00 29.72 O HETATM 1224 O HOH 26 -46.483 5.718 54.233 1.00 45.91 O HETATM 1225 O HOH 27 -41.809 18.515 56.471 1.00 37.32 O HETATM 1226 O HOH 28 -54.644 25.571 45.638 1.00 42.02 O HETATM 1227 O HOH 29 -30.723 9.547 37.314 1.00 33.28 O HETATM 1228 O HOH 30 -41.943 5.034 42.796 1.00 24.90 O HETATM 1229 O HOH 31 -44.249 17.478 56.216 1.00 37.89 O HETATM 1230 O HOH 32 -40.778 -2.999 35.004 1.00 37.34 O HETATM 1231 O HOH 33 -49.314 8.548 41.674 1.00 24.97 O HETATM 1232 O HOH 34 -48.808 24.297 45.132 1.00 21.71 O HETATM 1233 O HOH 35 -32.027 23.408 44.410 1.00 30.79 O HETATM 1234 O HOH 36 -61.604 21.462 39.960 1.00 41.36 O HETATM 1235 O HOH 37 -44.407 -3.145 36.028 1.00 47.06 O HETATM 1236 O HOH 38 -49.790 10.117 34.574 1.00 26.50 O HETATM 1237 O HOH 39 -41.074 22.734 21.996 1.00 49.96 O HETATM 1238 O HOH 40 -39.419 18.071 24.054 1.00 43.23 O HETATM 1239 O HOH 41 -51.780 23.157 34.311 1.00 24.45 O HETATM 1240 O HOH 42 -57.090 19.106 42.792 1.00 34.55 O HETATM 1241 O HOH 43 -55.720 11.687 46.381 1.00 51.10 O HETATM 1242 O HOH 44 -23.244 15.269 39.477 1.00 42.81 O HETATM 1243 O HOH 45 -31.230 2.639 24.449 1.00 46.93 O HETATM 1244 O HOH 46 -34.062 23.250 34.084 1.00 37.38 O HETATM 1245 O HOH 47 -45.514 2.374 49.796 1.00 37.28 O HETATM 1246 O HOH 48 -46.844 21.645 47.228 1.00 24.55 O HETATM 1247 O HOH 49 -50.069 12.649 37.839 1.00 27.11 O HETATM 1248 O HOH 50 -51.704 16.435 53.830 1.00 38.30 O HETATM 1249 O HOH 51 -56.777 25.127 41.769 1.00 38.23 O HETATM 1250 O HOH 52 -36.261 9.592 26.829 1.00 40.38 O HETATM 1251 O HOH 53 -60.005 25.206 42.289 1.00 42.03 O HETATM 1252 O HOH 54 -41.529 24.660 28.458 1.00 32.33 O HETATM 1253 O HOH 55 -59.468 15.177 40.407 1.00 53.21 O HETATM 1254 O HOH 56 -48.676 11.691 57.205 1.00 52.06 O HETATM 1255 O HOH 57 -55.235 14.939 49.248 1.00 29.73 O HETATM 1256 O HOH 58 -47.031 2.463 52.477 1.00 51.45 O HETATM 1257 O HOH 59 -40.711 23.520 51.016 1.00 31.90 O HETATM 1258 O HOH 60 -48.093 18.680 54.117 1.00 52.36 O HETATM 1259 O HOH 61 -53.787 8.478 44.091 1.00 41.88 O HETATM 1260 O HOH 62 -30.814 22.062 37.378 1.00 46.82 O HETATM 1261 O HOH 63 -27.989 15.100 28.575 1.00 52.91 O HETATM 1262 O HOH 64 -58.877 18.119 44.574 1.00 43.05 O HETATM 1263 O HOH 65 -48.346 -0.064 37.262 1.00 48.90 O HETATM 1264 O HOH 66 -34.599 19.610 56.154 1.00 43.60 O HETATM 1265 O HOH 67 -30.382 9.363 54.589 1.00 54.60 O HETATM 1266 O HOH 68 -34.990 27.374 40.066 1.00 43.61 O HETATM 1267 O HOH 69 -40.136 24.782 30.394 1.00 51.98 O HETATM 1268 O HOH 70 -39.023 23.046 55.611 1.00 40.86 O HETATM 1269 O HOH 71 -53.579 6.007 36.030 1.00 49.44 O HETATM 1270 O HOH 72 -38.234 3.568 49.434 1.00 51.66 O HETATM 1271 O HOH 73 -55.042 15.054 52.046 1.00 44.49 O HETATM 1272 O HOH 74 -35.775 30.789 39.207 1.00 53.00 O HETATM 1273 O HOH 75 -56.740 26.363 44.090 1.00 39.39 O HETATM 1274 O HOH 76 -54.132 7.761 34.467 1.00 42.87 O HETATM 1275 O HOH 77 -52.468 11.316 38.473 1.00 39.89 O HETATM 1276 O HOH 78 -48.419 26.634 33.856 1.00 39.15 O HETATM 1277 O HOH 79 -52.732 5.832 43.082 1.00 48.33 O HETATM 1278 O HOH 80 -52.642 26.992 46.363 1.00 47.42 O HETATM 1279 O HOH 81 -49.877 26.836 45.803 1.00 42.12 O HETATM 1280 O HOH 82 -52.711 29.055 44.909 1.00 54.60 O HETATM 1281 CAA UNN A 83 -31.909 7.883 41.877 1.00 0.01 C HETATM 1282 CAP UNN A 83 -32.949 7.534 40.846 1.00 0.16 C HETATM 1283 OAD UNN A 83 -33.269 6.367 40.628 1.00 -0.33 O HETATM 1284 CAX UNN A 83 -33.571 8.675 40.092 1.00 0.13 C HETATM 1285 OAF UNN A 83 -32.550 9.663 40.015 1.00 -0.39 O HETATM 1286 H10 UNN A 83 -31.815 9.319 39.521 1.00 0.21 H HETATM 1287 CAO UNN A 83 -34.017 8.321 38.654 1.00 -0.02 C HETATM 1288 CAL UNN A 83 -35.132 9.333 38.318 1.00 -0.05 C HETATM 1289 CAU UNN A 83 -35.242 10.215 39.561 1.00 -0.03 C HETATM 1290 CAS UNN A 83 -36.543 10.997 39.785 1.00 -0.04 C HETATM 1291 CAJ UNN A 83 -36.823 11.951 38.618 1.00 -0.04 C HETATM 1292 CAH UNN A 83 -38.142 12.675 38.847 1.00 -0.02 C HETATM 1293 CAR UNN A 83 -38.121 13.451 40.138 1.00 -0.04 C HETATM 1294 CAG UNN A 83 -38.629 14.694 40.162 1.00 0.05 C HETATM 1295 CAQ UNN A 83 -38.983 15.352 41.438 1.00 0.18 C HETATM 1296 OAE UNN A 83 -39.525 16.456 41.416 1.00 -0.34 O HETATM 1297 CAI UNN A 83 -38.673 14.637 42.729 1.00 0.02 C HETATM 1298 CAM UNN A 83 -37.517 13.662 42.555 1.00 -0.06 C HETATM 1299 CAV UNN A 83 -37.755 12.654 41.395 1.00 -0.04 C HETATM 1300 CAB UNN A 83 -38.950 11.749 41.769 1.00 -0.09 C HETATM 1301 H4 UNN A 83 -39.838 12.372 41.955 1.00 0.01 H HETATM 1302 H5 UNN A 83 -38.707 11.177 42.677 1.00 0.01 H HETATM 1303 H6 UNN A 83 -39.156 11.054 40.942 1.00 0.01 H HETATM 1304 CAT UNN A 83 -36.449 11.808 41.117 1.00 -0.06 C HETATM 1305 CAK UNN A 83 -35.985 10.916 42.303 1.00 -0.06 C HETATM 1306 CAN UNN A 83 -34.714 10.103 41.993 1.00 -0.05 C HETATM 1307 CAW UNN A 83 -34.868 9.256 40.718 1.00 0.01 C HETATM 1308 CAC UNN A 83 -35.904 8.121 40.971 1.00 -0.06 C HETATM 1309 H7 UNN A 83 -36.816 8.549 41.414 1.00 0.02 H HETATM 1310 H8 UNN A 83 -35.474 7.379 41.661 1.00 0.02 H HETATM 1311 H9 UNN A 83 -36.154 7.633 40.017 1.00 0.02 H HETATM 1312 H24 UNN A 83 -34.505 9.434 42.841 1.00 0.03 H HETATM 1313 H25 UNN A 83 -33.872 10.798 41.858 1.00 0.03 H HETATM 1314 H18 UNN A 83 -35.783 11.564 43.169 1.00 0.03 H HETATM 1315 H19 UNN A 83 -36.796 10.215 42.551 1.00 0.03 H HETATM 1316 H29 UNN A 83 -35.646 12.546 40.970 1.00 0.02 H HETATM 1317 H22 UNN A 83 -37.388 13.098 43.491 1.00 0.02 H HETATM 1318 H23 UNN A 83 -36.602 14.235 42.342 1.00 0.02 H HETATM 1319 H14 UNN A 83 -38.404 15.380 43.495 1.00 0.05 H HETATM 1320 H15 UNN A 83 -39.565 14.082 43.054 1.00 0.05 H HETATM 1321 H11 UNN A 83 -38.783 15.227 39.225 1.00 0.13 H HETATM 1322 H12 UNN A 83 -38.955 11.935 38.886 1.00 0.04 H HETATM 1323 H13 UNN A 83 -38.319 13.370 38.013 1.00 0.04 H HETATM 1324 H16 UNN A 83 -36.010 12.688 38.546 1.00 0.03 H HETATM 1325 H17 UNN A 83 -36.880 11.376 37.682 1.00 0.03 H HETATM 1326 H28 UNN A 83 -37.375 10.281 39.861 1.00 0.03 H HETATM 1327 H30 UNN A 83 -34.456 10.981 39.486 1.00 0.03 H HETATM 1328 H20 UNN A 83 -36.082 8.814 38.126 1.00 0.03 H HETATM 1329 H21 UNN A 83 -34.858 9.934 37.439 1.00 0.03 H HETATM 1330 H26 UNN A 83 -33.176 8.426 37.952 1.00 0.03 H HETATM 1331 H27 UNN A 83 -34.404 7.292 38.612 1.00 0.03 H HETATM 1332 H1 UNN A 83 -31.777 8.975 41.910 1.00 0.05 H HETATM 1333 H2 UNN A 83 -30.954 7.406 41.611 1.00 0.05 H HETATM 1334 H3 UNN A 83 -32.236 7.524 42.864 1.00 0.05 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1281 1282 1332 1333 1334 CONECT 1282 1281 1283 1284 CONECT 1283 1282 CONECT 1284 1282 1285 1287 1307 CONECT 1285 1284 1286 CONECT 1286 1285 CONECT 1287 1284 1288 1330 1331 CONECT 1288 1287 1289 1328 1329 CONECT 1289 1288 1290 1307 1327 CONECT 1290 1289 1291 1304 1326 CONECT 1291 1290 1292 1324 1325 CONECT 1292 1291 1293 1322 1323 CONECT 1293 1292 1294 1299 CONECT 1294 1293 1295 1321 CONECT 1295 1294 1296 1297 CONECT 1296 1295 CONECT 1297 1295 1298 1319 1320 CONECT 1298 1297 1299 1317 1318 CONECT 1299 1293 1298 1300 1304 CONECT 1300 1299 1301 1302 1303 CONECT 1301 1300 CONECT 1302 1300 CONECT 1303 1300 CONECT 1304 1290 1299 1305 1316 CONECT 1305 1304 1306 1314 1315 CONECT 1306 1305 1307 1312 1313 CONECT 1307 1284 1289 1306 1308 CONECT 1308 1307 1309 1310 1311 CONECT 1309 1308 CONECT 1310 1308 CONECT 1311 1308 CONECT 1312 1306 CONECT 1313 1306 CONECT 1314 1305 CONECT 1315 1305 CONECT 1316 1304 CONECT 1317 1298 CONECT 1318 1298 CONECT 1319 1297 CONECT 1320 1297 CONECT 1321 1294 CONECT 1322 1292 CONECT 1323 1292 CONECT 1324 1291 CONECT 1325 1291 CONECT 1326 1290 CONECT 1327 1289 CONECT 1328 1288 CONECT 1329 1288 CONECT 1330 1287 CONECT 1331 1287 CONECT 1332 1281 CONECT 1333 1281 CONECT 1334 1281 MASTER 0 0 0 0 0 0 0 0 1333 1 58 11 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 5ier
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5if6
RCSB PDB
PDBbind
134aa, >5IF6_1|Chains... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
5if6
RCSB PDB
PDBbind
3QZ
Entry Information
PDB ID
5ier
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
OHP9
Ligand Name
3QZ
EC.Number
E.C.-.-.-.-
Resolution
2.01(Å)
Affinity (Kd/Ki/IC50)
Kd=13uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Protein Sci. Vol. 26: pp. 2426-2437
Ligand Properties
Formula
C
2
1
H
3
0
O
3
Molecular Weight
330.461
Exact Mass
330.219
No. of atoms
54
No. of bonds
57
Polar Surface Area
54.37
LOGP Value
2.87 (
Computed with XLOGP3
)
3.84 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 4
Canonical SMILES
O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(O)C(=O)C)C)C
InChI String
InChI=1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1
Links to External Databases
RCSB PDB
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PDBsum
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
No matched UniProt accession number (AC) found!
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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