Browse entries in the PDBbind-CN Database
HEADER 6OOS_COMPLEX COMPND 6OOS_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 99 PRO GLN ILE THR LEU TRP LYS ARG PRO LEU VAL THR ILE SEQRES 2 A 99 LYS ILE GLY GLY GLN LEU LYS GLU ALA LEU LEU ASP THR SEQRES 3 A 99 GLY ALA ASP ASP THR VAL LEU GLU GLU MET ASN LEU PRO SEQRES 4 A 99 GLY ARG TRP LYS PRO LYS MET ILE GLY GLY ILE GLY GLY SEQRES 5 A 99 PHE ILE LYS VAL ARG GLN TYR ASP GLN ILE LEU ILE GLU SEQRES 6 A 99 ILE CYS GLY HIS LYS ALA ILE GLY THR VAL LEU VAL GLY SEQRES 7 A 99 PRO THR PRO VAL ASN ILE ILE GLY ARG ASN LEU MET THR SEQRES 8 A 99 GLN ILE GLY CYS THR LEU ASN PHE SEQRES 1 B 99 PRO GLN ILE THR LEU TRP LYS ARG PRO LEU VAL THR ILE SEQRES 2 B 99 LYS ILE GLY GLY GLN LEU LYS GLU ALA LEU LEU ASP THR SEQRES 3 B 99 GLY ALA ASP ASP THR VAL LEU GLU GLU MET ASN LEU PRO SEQRES 4 B 99 GLY ARG TRP LYS PRO LYS MET ILE GLY GLY ILE GLY GLY SEQRES 5 B 99 PHE ILE LYS VAL ARG GLN TYR ASP GLN ILE LEU ILE GLU SEQRES 6 B 99 ILE CYS GLY HIS LYS ALA ILE GLY THR VAL LEU VAL GLY SEQRES 7 B 99 PRO THR PRO VAL ASN ILE ILE GLY ARG ASN LEU MET THR SEQRES 8 B 99 GLN ILE GLY CYS THR LEU ASN PHE HET MOL A 366 75 ATOM 1 N PRO A 1 -3.153 -7.193 12.457 1.00 36.96 N ATOM 2 CA PRO A 1 -2.159 -6.364 11.765 1.00 25.54 C ATOM 3 C PRO A 1 -0.735 -6.620 12.235 1.00 29.26 C ATOM 4 O PRO A 1 -0.535 -7.283 13.250 1.00 23.73 O ATOM 5 CB PRO A 1 -2.583 -4.936 12.121 1.00 38.78 C ATOM 6 CG PRO A 1 -3.354 -5.079 13.394 1.00 36.45 C ATOM 7 CD PRO A 1 -4.081 -6.383 13.266 1.00 30.08 C ATOM 8 HN2 PRO A 1 -2.657 -7.861 13.082 1.00 0.00 H ATOM 9 HN1 PRO A 1 -3.700 -7.723 11.749 1.00 0.00 H ATOM 10 N GLN A 2 0.234 -6.106 11.485 1.00 27.57 N ATOM 11 CA GLN A 2 1.621 -6.010 11.927 1.00 20.23 C ATOM 12 C GLN A 2 1.886 -4.546 12.247 1.00 31.68 C ATOM 13 O GLN A 2 1.668 -3.676 11.397 1.00 26.05 O ATOM 14 CB GLN A 2 2.588 -6.517 10.865 1.00 27.40 C ATOM 15 CG GLN A 2 4.050 -6.448 11.294 1.00 22.24 C ATOM 16 CD GLN A 2 4.965 -7.230 10.374 1.00 38.61 C ATOM 17 OE1 GLN A 2 5.357 -6.752 9.308 1.00 39.35 O ATOM 18 NE2 GLN A 2 5.314 -8.441 10.782 1.00 28.00 N ATOM 19 HE22 GLN A 2 4.960 -8.806 11.689 1.00 0.00 H ATOM 20 HE21 GLN A 2 5.942 -9.027 10.195 1.00 0.00 H ATOM 21 H GLN A 2 -0.008 -5.755 10.536 1.00 0.00 H ATOM 22 N ILE A 3 2.330 -4.274 13.469 1.00 21.30 N ATOM 23 CA ILE A 3 2.503 -2.909 13.956 1.00 21.44 C ATOM 24 C ILE A 3 3.990 -2.671 14.177 1.00 25.19 C ATOM 25 O ILE A 3 4.633 -3.392 14.949 1.00 19.55 O ATOM 26 CB ILE A 3 1.700 -2.671 15.245 1.00 22.63 C ATOM 27 CG1 ILE A 3 0.211 -2.943 14.990 1.00 21.44 C ATOM 28 CG2 ILE A 3 1.907 -1.253 15.762 1.00 21.22 C ATOM 29 CD1 ILE A 3 -0.666 -2.869 16.214 1.00 32.51 C ATOM 30 H ILE A 3 2.563 -5.064 14.103 1.00 0.00 H ATOM 31 N THR A 4 4.539 -1.672 13.491 1.00 18.69 N ATOM 32 CA THR A 4 5.905 -1.243 13.745 1.00 16.38 C ATOM 33 C THR A 4 5.921 -0.274 14.925 1.00 14.89 C ATOM 34 O THR A 4 4.883 0.221 15.377 1.00 18.37 O ATOM 35 CB THR A 4 6.516 -0.594 12.498 1.00 19.72 C ATOM 36 OG1 THR A 4 5.629 0.405 11.992 1.00 22.73 O ATOM 37 CG2 THR A 4 6.751 -1.649 11.407 1.00 27.57 C ATOM 38 HG1 THR A 4 6.027 0.821 11.187 1.00 0.00 H ATOM 39 H THR A 4 3.980 -1.189 12.759 1.00 0.00 H ATOM 40 N LEU A 5 7.120 0.010 15.425 1.00 15.76 N ATOM 41 CA LEU A 5 7.260 0.707 16.696 1.00 16.81 C ATOM 42 C LEU A 5 7.962 2.051 16.563 1.00 18.89 C ATOM 43 O LEU A 5 8.454 2.587 17.560 1.00 15.88 O ATOM 44 CB LEU A 5 7.992 -0.194 17.691 1.00 17.71 C ATOM 45 CG LEU A 5 7.210 -1.482 17.991 1.00 19.11 C ATOM 46 CD1 LEU A 5 8.065 -2.458 18.796 1.00 17.96 C ATOM 47 CD2 LEU A 5 5.908 -1.148 18.729 1.00 22.67 C ATOM 48 H LEU A 5 7.972 -0.270 14.899 1.00 0.00 H ATOM 49 N TRP A 6 8.010 2.610 15.348 1.00 20.50 N ATOM 50 CA TRP A 6 8.514 3.967 15.177 1.00 19.12 C ATOM 51 C TRP A 6 7.614 4.976 15.876 1.00 19.47 C ATOM 52 O TRP A 6 8.086 6.026 16.326 1.00 19.59 O ATOM 53 CB TRP A 6 8.626 4.311 13.691 1.00 23.88 C ATOM 54 CG TRP A 6 9.361 3.291 12.892 1.00 19.57 C ATOM 55 CD1 TRP A 6 8.818 2.346 12.074 1.00 21.49 C ATOM 56 CD2 TRP A 6 10.780 3.110 12.832 1.00 21.79 C ATOM 57 NE1 TRP A 6 9.813 1.581 11.510 1.00 23.94 N ATOM 58 CE2 TRP A 6 11.026 2.033 11.958 1.00 26.26 C ATOM 59 CE3 TRP A 6 11.866 3.753 13.433 1.00 23.47 C ATOM 60 CZ2 TRP A 6 12.313 1.586 11.671 1.00 26.21 C ATOM 61 CZ3 TRP A 6 13.142 3.308 13.145 1.00 25.08 C ATOM 62 CH2 TRP A 6 13.355 2.237 12.272 1.00 27.82 C ATOM 63 HE1 TRP A 6 9.668 0.789 10.851 1.00 0.00 H ATOM 64 H TRP A 6 7.685 2.072 14.519 1.00 0.00 H ATOM 65 N LYS A 7 6.328 4.669 15.987 1.00 17.05 N ATOM 66 CA LYS A 7 5.363 5.496 16.696 1.00 21.89 C ATOM 67 C LYS A 7 4.800 4.663 17.844 1.00 15.91 C ATOM 68 O LYS A 7 4.951 3.438 17.874 1.00 20.46 O ATOM 69 CB LYS A 7 4.237 5.984 15.778 1.00 25.82 C ATOM 70 H LYS A 7 5.992 3.790 15.544 1.00 0.00 H ATOM 71 N ARG A 8 4.171 5.334 18.801 1.00 17.46 N ATOM 72 CA ARG A 8 3.495 4.632 19.884 1.00 18.51 C ATOM 73 C ARG A 8 2.428 3.706 19.304 1.00 20.02 C ATOM 74 O ARG A 8 1.641 4.136 18.448 1.00 15.68 O ATOM 75 CB ARG A 8 2.847 5.631 20.847 1.00 22.40 C ATOM 76 CG ARG A 8 3.821 6.356 21.773 1.00 24.84 C ATOM 77 CD ARG A 8 3.131 6.815 23.059 1.00 34.07 C ATOM 78 NE ARG A 8 3.980 7.706 23.850 1.00 41.24 N ATOM 79 CZ ARG A 8 3.849 7.914 25.159 1.00 53.38 C ATOM 80 NH1 ARG A 8 2.897 7.292 25.854 1.00 29.24 N ATOM 81 NH2 ARG A 8 4.677 8.746 25.778 1.00 55.54 N ATOM 82 HE ARG A 8 4.741 8.214 23.354 1.00 0.00 H ATOM 83 HH12 ARG A 8 2.804 7.462 26.876 1.00 0.00 H ATOM 84 HH11 ARG A 8 2.247 6.637 25.375 1.00 0.00 H ATOM 85 HH22 ARG A 8 4.579 8.912 26.800 1.00 0.00 H ATOM 86 HH21 ARG A 8 5.424 9.232 25.241 1.00 0.00 H ATOM 87 H ARG A 8 4.161 6.374 18.777 1.00 0.00 H ATOM 88 N PRO A 9 2.359 2.433 19.739 1.00 20.37 N ATOM 89 CA PRO A 9 1.302 1.526 19.232 1.00 16.65 C ATOM 90 C PRO A 9 -0.052 1.793 19.882 1.00 18.26 C ATOM 91 O PRO A 9 -0.550 1.033 20.723 1.00 16.83 O ATOM 92 CB PRO A 9 1.868 0.139 19.572 1.00 16.71 C ATOM 93 CG PRO A 9 2.668 0.362 20.820 1.00 18.16 C ATOM 94 CD PRO A 9 3.251 1.764 20.708 1.00 17.40 C ATOM 95 N LEU A 10 -0.665 2.910 19.486 1.00 17.51 N ATOM 96 CA LEU A 10 -1.985 3.278 19.973 1.00 20.50 C ATOM 97 C LEU A 10 -3.070 2.597 19.148 1.00 22.61 C ATOM 98 O LEU A 10 -2.964 2.468 17.923 1.00 22.03 O ATOM 99 CB LEU A 10 -2.166 4.794 19.923 1.00 25.06 C ATOM 100 CG LEU A 10 -1.217 5.557 20.848 1.00 24.24 C ATOM 101 CD1 LEU A 10 -1.157 7.039 20.491 1.00 35.48 C ATOM 102 CD2 LEU A 10 -1.621 5.385 22.305 1.00 25.32 C ATOM 103 H LEU A 10 -0.184 3.536 18.809 1.00 0.00 H ATOM 104 N VAL A 11 -4.111 2.144 19.832 1.00 22.05 N ATOM 105 CA VAL A 11 -5.219 1.444 19.202 1.00 21.03 C ATOM 106 C VAL A 11 -6.508 1.948 19.824 1.00 22.52 C ATOM 107 O VAL A 11 -6.532 2.407 20.971 1.00 20.62 O ATOM 108 CB VAL A 11 -5.112 -0.087 19.367 1.00 19.96 C ATOM 109 CG1 VAL A 11 -3.834 -0.595 18.721 1.00 24.75 C ATOM 110 CG2 VAL A 11 -5.184 -0.457 20.843 1.00 24.88 C ATOM 111 H VAL A 11 -4.136 2.295 20.861 1.00 0.00 H ATOM 112 N THR A 12 -7.584 1.866 19.047 1.00 23.06 N ATOM 113 CA THR A 12 -8.908 2.196 19.539 1.00 20.49 C ATOM 114 C THR A 12 -9.475 0.999 20.288 1.00 18.95 C ATOM 115 O THR A 12 -9.386 -0.139 19.819 1.00 23.74 O ATOM 116 CB THR A 12 -9.826 2.578 18.379 1.00 31.13 C ATOM 117 OG1 THR A 12 -9.276 3.706 17.690 1.00 23.84 O ATOM 118 CG2 THR A 12 -11.214 2.925 18.887 1.00 28.57 C ATOM 119 HG1 THR A 12 -9.870 3.954 16.938 1.00 0.00 H ATOM 120 H THR A 12 -7.473 1.557 18.060 1.00 0.00 H ATOM 121 N ILE A 13 -10.036 1.255 21.463 1.00 18.16 N ATOM 122 CA ILE A 13 -10.668 0.222 22.266 1.00 18.28 C ATOM 123 C ILE A 13 -12.110 0.630 22.528 1.00 22.88 C ATOM 124 O ILE A 13 -12.471 1.801 22.438 1.00 17.63 O ATOM 125 CB ILE A 13 -9.921 -0.030 23.590 1.00 14.65 C ATOM 126 CG1 ILE A 13 -9.930 1.208 24.476 1.00 15.83 C ATOM 127 CG2 ILE A 13 -8.474 -0.451 23.304 1.00 13.51 C ATOM 128 CD1 ILE A 13 -9.766 0.895 25.955 1.00 18.65 C ATOM 129 H ILE A 13 -10.023 2.231 21.822 1.00 0.00 H ATOM 130 N LYS A 14 -12.938 -0.362 22.850 1.00 19.39 N ATOM 131 CA LYS A 14 -14.304 -0.131 23.297 1.00 23.98 C ATOM 132 C LYS A 14 -14.503 -0.848 24.624 1.00 16.91 C ATOM 133 O LYS A 14 -14.238 -2.051 24.736 1.00 26.14 O ATOM 134 CB LYS A 14 -15.329 -0.619 22.269 1.00 26.44 C ATOM 135 CG LYS A 14 -16.766 -0.278 22.623 1.00 32.18 C ATOM 136 CD LYS A 14 -17.738 -0.744 21.542 1.00 46.28 C ATOM 137 CE LYS A 14 -18.016 -2.241 21.645 1.00 57.24 C ATOM 138 NZ LYS A 14 -19.477 -2.532 21.723 1.00 71.97 N ATOM 139 HZ1 LYS A 14 -19.877 -2.067 22.563 1.00 0.00 H ATOM 140 HZ2 LYS A 14 -19.947 -2.171 20.868 1.00 0.00 H ATOM 141 HZ3 LYS A 14 -19.621 -3.560 21.792 1.00 0.00 H ATOM 142 H LYS A 14 -12.595 -1.341 22.779 1.00 0.00 H ATOM 143 N ILE A 15 -14.944 -0.107 25.630 1.00 20.82 N ATOM 144 CA ILE A 15 -15.185 -0.664 26.956 1.00 21.50 C ATOM 145 C ILE A 15 -16.351 0.097 27.567 1.00 28.25 C ATOM 146 O ILE A 15 -16.439 1.324 27.443 1.00 19.81 O ATOM 147 CB ILE A 15 -13.930 -0.589 27.853 1.00 21.14 C ATOM 148 CG1 ILE A 15 -14.193 -1.300 29.184 1.00 33.23 C ATOM 149 CG2 ILE A 15 -13.506 0.860 28.057 1.00 24.33 C ATOM 150 CD1 ILE A 15 -13.008 -1.299 30.132 1.00 28.71 C ATOM 151 H ILE A 15 -15.124 0.905 25.469 1.00 0.00 H ATOM 152 N GLY A 16 -17.253 -0.639 28.215 1.00 24.59 N ATOM 153 CA GLY A 16 -18.462 -0.038 28.745 1.00 27.28 C ATOM 154 C GLY A 16 -19.311 0.660 27.710 1.00 27.07 C ATOM 155 O GLY A 16 -20.111 1.533 28.061 1.00 31.43 O ATOM 156 H GLY A 16 -17.088 -1.658 28.342 1.00 0.00 H ATOM 157 N GLY A 17 -19.162 0.296 26.436 1.00 26.79 N ATOM 158 CA GLY A 17 -19.862 0.951 25.358 1.00 28.59 C ATOM 159 C GLY A 17 -19.214 2.213 24.841 1.00 30.21 C ATOM 160 O GLY A 17 -19.735 2.807 23.891 1.00 30.71 O ATOM 161 H GLY A 17 -18.518 -0.489 26.211 1.00 0.00 H ATOM 162 N GLN A 18 -18.095 2.635 25.426 1.00 29.02 N ATOM 163 CA GLN A 18 -17.423 3.871 25.054 1.00 24.41 C ATOM 164 C GLN A 18 -16.118 3.574 24.331 1.00 30.92 C ATOM 165 O GLN A 18 -15.403 2.624 24.674 1.00 23.15 O ATOM 166 CB GLN A 18 -17.140 4.726 26.292 1.00 32.70 C ATOM 167 CG GLN A 18 -16.927 6.203 26.003 1.00 45.08 C ATOM 168 CD GLN A 18 -16.517 6.980 27.237 1.00 35.52 C ATOM 169 OE1 GLN A 18 -15.803 6.467 28.100 1.00 44.13 O ATOM 170 NE2 GLN A 18 -16.969 8.223 27.329 1.00 45.46 N ATOM 171 HE22 GLN A 18 -17.569 8.615 26.576 1.00 0.00 H ATOM 172 HE21 GLN A 18 -16.723 8.806 28.154 1.00 0.00 H ATOM 173 H GLN A 18 -17.682 2.055 26.184 1.00 0.00 H ATOM 174 N LEU A 19 -15.814 4.395 23.331 1.00 20.79 N ATOM 175 CA LEU A 19 -14.574 4.280 22.582 1.00 23.83 C ATOM 176 C LEU A 19 -13.476 5.091 23.260 1.00 30.54 C ATOM 177 O LEU A 19 -13.706 6.220 23.701 1.00 21.54 O ATOM 178 CB LEU A 19 -14.751 4.781 21.150 1.00 23.24 C ATOM 179 CG LEU A 19 -15.687 4.039 20.194 1.00 26.72 C ATOM 180 CD1 LEU A 19 -15.485 4.579 18.777 1.00 27.86 C ATOM 181 CD2 LEU A 19 -15.453 2.554 20.248 1.00 28.39 C ATOM 182 H LEU A 19 -16.487 5.146 23.076 1.00 0.00 H ATOM 183 N LYS A 20 -12.280 4.514 23.321 1.00 24.65 N ATOM 184 CA LYS A 20 -11.114 5.198 23.856 1.00 19.15 C ATOM 185 C LYS A 20 -9.894 4.813 23.033 1.00 21.89 C ATOM 186 O LYS A 20 -9.916 3.858 22.254 1.00 22.92 O ATOM 187 CB LYS A 20 -10.867 4.848 25.328 1.00 19.25 C ATOM 188 CG LYS A 20 -12.032 5.155 26.248 1.00 28.81 C ATOM 189 CD LYS A 20 -11.743 4.688 27.663 1.00 28.73 C ATOM 190 CE LYS A 20 -12.716 5.313 28.647 1.00 44.80 C ATOM 191 NZ LYS A 20 -12.254 6.638 29.144 1.00 47.46 N ATOM 192 HZ1 LYS A 20 -11.339 6.526 29.625 1.00 0.00 H ATOM 193 HZ2 LYS A 20 -12.147 7.290 28.341 1.00 0.00 H ATOM 194 HZ3 LYS A 20 -12.954 7.020 29.812 1.00 0.00 H ATOM 195 H LYS A 20 -12.175 3.539 22.974 1.00 0.00 H ATOM 196 N GLU A 21 -8.815 5.565 23.222 1.00 21.02 N ATOM 197 CA GLU A 21 -7.512 5.226 22.666 1.00 14.33 C ATOM 198 C GLU A 21 -6.642 4.646 23.774 1.00 13.22 C ATOM 199 O GLU A 21 -6.644 5.156 24.899 1.00 15.87 O ATOM 200 CB GLU A 21 -6.851 6.467 22.063 1.00 19.74 C ATOM 201 CG GLU A 21 -5.783 6.173 21.029 1.00 32.98 C ATOM 202 CD GLU A 21 -4.988 7.410 20.630 1.00 43.17 C ATOM 203 OE1 GLU A 21 -4.859 8.340 21.457 1.00 37.80 O ATOM 204 OE2 GLU A 21 -4.488 7.450 19.487 1.00 49.79 O ATOM 205 H GLU A 21 -8.904 6.431 23.790 1.00 0.00 H ATOM 206 N ALA A 22 -5.904 3.580 23.457 1.00 17.71 N ATOM 207 CA ALA A 22 -5.044 2.937 24.440 1.00 12.28 C ATOM 208 C ALA A 22 -3.738 2.485 23.802 1.00 19.19 C ATOM 209 O ALA A 22 -3.624 2.341 22.581 1.00 18.59 O ATOM 210 CB ALA A 22 -5.746 1.743 25.114 1.00 21.25 C ATOM 211 H ALA A 22 -5.944 3.201 22.489 1.00 0.00 H ATOM 212 N LEU A 23 -2.745 2.282 24.664 1.00 16.51 N ATOM 213 CA LEU A 23 -1.392 1.912 24.271 1.00 12.36 C ATOM 214 C LEU A 23 -1.192 0.421 24.501 1.00 10.99 C ATOM 215 O LEU A 23 -1.372 -0.067 25.625 1.00 13.73 O ATOM 216 CB LEU A 23 -0.369 2.703 25.089 1.00 18.87 C ATOM 217 CG LEU A 23 1.105 2.452 24.790 1.00 17.16 C ATOM 218 CD1 LEU A 23 1.467 3.018 23.428 1.00 14.72 C ATOM 219 CD2 LEU A 23 1.970 3.064 25.891 1.00 21.79 C ATOM 220 H LEU A 23 -2.947 2.394 25.678 1.00 0.00 H ATOM 221 N LEU A 24 -0.815 -0.295 23.446 1.00 13.10 N ATOM 222 CA LEU A 24 -0.398 -1.686 23.578 1.00 16.22 C ATOM 223 C LEU A 24 0.967 -1.732 24.259 1.00 14.87 C ATOM 224 O LEU A 24 1.968 -1.243 23.717 1.00 14.96 O ATOM 225 CB LEU A 24 -0.360 -2.356 22.210 1.00 14.71 C ATOM 226 CG LEU A 24 -1.703 -2.389 21.474 1.00 17.20 C ATOM 227 CD1 LEU A 24 -1.531 -3.043 20.115 1.00 20.12 C ATOM 228 CD2 LEU A 24 -2.734 -3.117 22.312 1.00 15.73 C ATOM 229 H LEU A 24 -0.818 0.147 22.505 1.00 0.00 H ATOM 230 N ASP A 25 1.003 -2.320 25.451 1.00 13.26 N ATOM 231 CA ASP A 25 2.115 -2.153 26.396 1.00 13.12 C ATOM 232 C ASP A 25 2.627 -3.514 26.860 1.00 15.04 C ATOM 233 O ASP A 25 2.147 -4.047 27.860 1.00 12.75 O ATOM 234 CB ASP A 25 1.608 -1.286 27.575 1.00 16.07 C ATOM 235 CG ASP A 25 2.709 -0.861 28.515 1.00 17.36 C ATOM 236 OD1 ASP A 25 3.823 -1.402 28.391 1.00 13.77 O ATOM 237 OD2 ASP A 25 2.454 0.019 29.364 1.00 12.13 O ATOM 238 H ASP A 25 0.205 -2.927 25.728 1.00 0.00 H ATOM 239 N THR A 26 3.619 -4.068 26.147 1.00 13.07 N ATOM 240 CA THR A 26 4.117 -5.402 26.482 1.00 14.25 C ATOM 241 C THR A 26 4.873 -5.432 27.805 1.00 14.55 C ATOM 242 O THR A 26 5.087 -6.517 28.357 1.00 13.64 O ATOM 243 CB THR A 26 5.009 -5.952 25.366 1.00 12.09 C ATOM 244 OG1 THR A 26 6.087 -5.050 25.078 1.00 10.46 O ATOM 245 CG2 THR A 26 4.186 -6.178 24.099 1.00 12.89 C ATOM 246 HG1 THR A 26 6.637 -4.924 25.892 1.00 0.00 H ATOM 247 H THR A 26 4.037 -3.546 25.351 1.00 0.00 H ATOM 248 N GLY A 27 5.256 -4.276 28.330 1.00 12.64 N ATOM 249 CA GLY A 27 5.897 -4.161 29.618 1.00 11.14 C ATOM 250 C GLY A 27 4.955 -4.079 30.788 1.00 13.80 C ATOM 251 O GLY A 27 5.403 -3.974 31.935 1.00 13.72 O ATOM 252 H GLY A 27 5.086 -3.407 27.785 1.00 0.00 H ATOM 253 N ALA A 28 3.648 -4.120 30.536 1.00 15.00 N ATOM 254 CA ALA A 28 2.642 -4.071 31.584 1.00 12.64 C ATOM 255 C ALA A 28 2.022 -5.449 31.745 1.00 10.42 C ATOM 256 O ALA A 28 1.503 -6.013 30.771 1.00 10.30 O ATOM 257 CB ALA A 28 1.557 -3.044 31.250 1.00 14.06 C ATOM 258 H ALA A 28 3.334 -4.190 29.547 1.00 0.00 H ATOM 259 N ASP A 29 2.064 -5.985 32.971 1.00 14.96 N ATOM 260 CA ASP A 29 1.355 -7.227 33.242 1.00 14.34 C ATOM 261 C ASP A 29 -0.156 -7.032 33.129 1.00 14.05 C ATOM 262 O ASP A 29 -0.880 -7.947 32.705 1.00 14.20 O ATOM 263 CB ASP A 29 1.671 -7.755 34.647 1.00 10.15 C ATOM 264 CG ASP A 29 3.155 -7.941 34.914 1.00 18.25 C ATOM 265 OD1 ASP A 29 3.969 -8.015 33.972 1.00 13.43 O ATOM 266 OD2 ASP A 29 3.506 -8.025 36.107 1.00 18.50 O ATOM 267 H ASP A 29 2.602 -5.515 33.727 1.00 0.00 H ATOM 268 N ASP A 30 -0.639 -5.856 33.522 1.00 14.03 N ATOM 269 CA ASP A 30 -2.052 -5.595 33.712 1.00 13.03 C ATOM 270 C ASP A 30 -2.498 -4.420 32.855 1.00 14.42 C ATOM 271 O ASP A 30 -1.695 -3.598 32.403 1.00 15.08 O ATOM 272 CB ASP A 30 -2.356 -5.286 35.194 1.00 18.12 C ATOM 273 CG ASP A 30 -1.771 -6.314 36.135 1.00 19.90 C ATOM 274 OD1 ASP A 30 -1.984 -7.520 35.896 1.00 23.62 O ATOM 275 OD2 ASP A 30 -1.104 -5.918 37.118 1.00 30.24 O ATOM 276 H ASP A 30 0.033 -5.083 33.702 1.00 0.00 H ATOM 277 N THR A 31 -3.804 -4.342 32.656 1.00 11.59 N ATOM 278 CA THR A 31 -4.430 -3.283 31.880 1.00 13.03 C ATOM 279 C THR A 31 -4.920 -2.215 32.844 1.00 17.89 C ATOM 280 O THR A 31 -5.622 -2.518 33.814 1.00 17.37 O ATOM 281 CB THR A 31 -5.571 -3.862 31.036 1.00 18.75 C ATOM 282 OG1 THR A 31 -5.007 -4.734 30.045 1.00 15.08 O ATOM 283 CG2 THR A 31 -6.367 -2.772 30.361 1.00 16.88 C ATOM 284 HG1 THR A 31 -4.513 -5.465 30.493 1.00 0.00 H ATOM 285 H THR A 31 -4.413 -5.074 33.075 1.00 0.00 H ATOM 286 N VAL A 32 -4.492 -0.978 32.614 1.00 16.70 N ATOM 287 CA VAL A 32 -4.800 0.136 33.501 1.00 13.42 C ATOM 288 C VAL A 32 -5.349 1.274 32.657 1.00 14.40 C ATOM 289 O VAL A 32 -4.650 1.792 31.775 1.00 14.59 O ATOM 290 CB VAL A 32 -3.569 0.605 34.298 1.00 12.55 C ATOM 291 CG1 VAL A 32 -3.995 1.594 35.371 1.00 18.28 C ATOM 292 CG2 VAL A 32 -2.834 -0.585 34.900 1.00 16.92 C ATOM 293 H VAL A 32 -3.915 -0.798 31.768 1.00 0.00 H ATOM 294 N LEU A 33 -6.577 1.694 32.962 1.00 11.56 N ATOM 295 CA LEU A 33 -7.252 2.761 32.249 1.00 12.35 C ATOM 296 C LEU A 33 -7.448 3.971 33.152 1.00 16.99 C ATOM 297 O LEU A 33 -7.581 3.842 34.373 1.00 16.47 O ATOM 298 CB LEU A 33 -8.623 2.300 31.741 1.00 18.84 C ATOM 299 CG LEU A 33 -8.619 1.064 30.843 1.00 21.08 C ATOM 300 CD1 LEU A 33 -10.040 0.727 30.427 1.00 31.79 C ATOM 301 CD2 LEU A 33 -7.747 1.314 29.635 1.00 19.58 C ATOM 302 H LEU A 33 -7.075 1.234 33.750 1.00 0.00 H ATOM 303 N GLU A 34 -7.474 5.145 32.531 1.00 17.46 N ATOM 304 CA GLU A 34 -7.724 6.380 33.250 1.00 18.80 C ATOM 305 C GLU A 34 -9.125 6.367 33.853 1.00 26.23 C ATOM 306 O GLU A 34 -9.986 5.564 33.480 1.00 15.73 O ATOM 307 CB GLU A 34 -7.563 7.577 32.312 1.00 23.39 C ATOM 308 CG GLU A 34 -6.233 7.624 31.578 1.00 23.66 C ATOM 309 CD GLU A 34 -6.198 8.681 30.484 1.00 30.66 C ATOM 310 OE1 GLU A 34 -6.875 8.495 29.453 1.00 52.04 O ATOM 311 OE2 GLU A 34 -5.499 9.699 30.664 1.00 53.64 O ATOM 312 H GLU A 34 -7.311 5.180 31.504 1.00 0.00 H ATOM 313 N GLU A 35 -9.343 7.282 34.792 1.00 24.53 N ATOM 314 CA GLU A 35 -10.601 7.358 35.522 1.00 27.57 C ATOM 315 C GLU A 35 -11.791 7.322 34.576 1.00 20.83 C ATOM 316 O GLU A 35 -11.816 8.022 33.561 1.00 22.18 O ATOM 317 CB GLU A 35 -10.633 8.642 36.354 1.00 30.73 C ATOM 318 CG GLU A 35 -11.647 8.619 37.475 1.00 39.08 C ATOM 319 CD GLU A 35 -11.405 7.481 38.442 1.00 59.23 C ATOM 320 OE1 GLU A 35 -10.270 7.368 38.963 1.00 45.05 O ATOM 321 OE2 GLU A 35 -12.347 6.695 38.665 1.00 60.94 O ATOM 322 H GLU A 35 -8.591 7.966 35.013 1.00 0.00 H ATOM 323 N MET A 36 -12.779 6.496 34.917 1.00 24.93 N ATOM 324 CA MET A 36 -13.982 6.354 34.107 1.00 30.94 C ATOM 325 C MET A 36 -15.042 5.638 34.931 1.00 26.55 C ATOM 326 O MET A 36 -14.730 4.906 35.874 1.00 26.89 O ATOM 327 CB MET A 36 -13.704 5.574 32.814 1.00 26.47 C ATOM 328 CG MET A 36 -13.025 4.235 33.059 1.00 37.97 C ATOM 329 SD MET A 36 -12.857 3.207 31.592 1.00 33.58 S ATOM 330 CE MET A 36 -14.441 3.131 30.903 1.00 36.41 C ATOM 331 H MET A 36 -12.689 5.935 35.788 1.00 0.00 H ATOM 332 N ASN A 37 -16.299 5.851 34.548 1.00 26.12 N ATOM 333 CA ASN A 37 -17.406 5.096 35.126 1.00 34.74 C ATOM 334 C ASN A 37 -17.522 3.756 34.405 1.00 35.27 C ATOM 335 O ASN A 37 -17.603 3.719 33.175 1.00 32.00 O ATOM 336 CB ASN A 37 -18.707 5.892 34.995 1.00 38.45 C ATOM 337 CG ASN A 37 -18.685 7.184 35.795 1.00 40.90 C ATOM 338 OD1 ASN A 37 -18.585 7.165 37.022 1.00 39.93 O ATOM 339 ND2 ASN A 37 -18.774 8.314 35.101 1.00 50.62 N ATOM 340 HD22 ASN A 37 -18.857 8.283 34.065 1.00 0.00 H ATOM 341 HD21 ASN A 37 -18.761 9.230 35.594 1.00 0.00 H ATOM 342 H ASN A 37 -16.496 6.570 33.823 1.00 0.00 H ATOM 343 N LEU A 38 -17.527 2.666 35.172 1.00 25.19 N ATOM 344 CA LEU A 38 -17.617 1.335 34.583 1.00 32.97 C ATOM 345 C LEU A 38 -18.664 0.524 35.339 1.00 36.86 C ATOM 346 O LEU A 38 -18.681 0.542 36.581 1.00 35.98 O ATOM 347 CB LEU A 38 -16.258 0.622 34.618 1.00 35.44 C ATOM 348 CG LEU A 38 -15.943 -0.335 33.467 1.00 38.56 C ATOM 349 CD1 LEU A 38 -16.137 0.331 32.117 1.00 32.68 C ATOM 350 CD2 LEU A 38 -14.517 -0.870 33.604 1.00 34.66 C ATOM 351 H LEU A 38 -17.466 2.766 36.205 1.00 0.00 H ATOM 352 N PRO A 39 -19.549 -0.181 34.643 1.00 41.80 N ATOM 353 CA PRO A 39 -20.525 -1.021 35.341 1.00 46.43 C ATOM 354 C PRO A 39 -19.894 -2.324 35.798 1.00 42.80 C ATOM 355 O PRO A 39 -19.019 -2.890 35.137 1.00 43.48 O ATOM 356 CB PRO A 39 -21.608 -1.262 34.284 1.00 42.69 C ATOM 357 CG PRO A 39 -20.881 -1.186 32.985 1.00 55.05 C ATOM 358 CD PRO A 39 -19.688 -0.268 33.176 1.00 36.44 C ATOM 359 N GLY A 40 -20.354 -2.787 36.949 1.00 46.79 N ATOM 360 CA GLY A 40 -19.835 -3.984 37.577 1.00 53.02 C ATOM 361 C GLY A 40 -19.354 -3.716 38.992 1.00 45.29 C ATOM 362 O GLY A 40 -19.234 -2.579 39.442 1.00 40.34 O ATOM 363 H GLY A 40 -21.121 -2.269 37.423 1.00 0.00 H ATOM 364 N ARG A 41 -19.095 -4.812 39.698 1.00 48.15 N ATOM 365 CA ARG A 41 -18.515 -4.742 41.030 1.00 52.06 C ATOM 366 C ARG A 41 -16.999 -4.657 40.907 1.00 42.48 C ATOM 367 O ARG A 41 -16.401 -5.268 40.014 1.00 42.77 O ATOM 368 CB ARG A 41 -18.913 -5.958 41.866 1.00 45.11 C ATOM 369 H ARG A 41 -19.312 -5.743 39.288 1.00 0.00 H ATOM 370 N TRP A 42 -16.384 -3.895 41.809 1.00 42.84 N ATOM 371 CA TRP A 42 -14.942 -3.703 41.790 1.00 39.75 C ATOM 372 C TRP A 42 -14.390 -3.835 43.202 1.00 46.32 C ATOM 373 O TRP A 42 -15.125 -3.771 44.192 1.00 32.00 O ATOM 374 CB TRP A 42 -14.563 -2.337 41.205 1.00 36.84 C ATOM 375 CG TRP A 42 -15.193 -1.170 41.906 1.00 43.12 C ATOM 376 CD1 TRP A 42 -16.393 -0.587 41.614 1.00 38.82 C ATOM 377 CD2 TRP A 42 -14.651 -0.439 43.010 1.00 35.33 C ATOM 378 NE1 TRP A 42 -16.630 0.461 42.467 1.00 33.02 N ATOM 379 CE2 TRP A 42 -15.580 0.569 43.339 1.00 34.48 C ATOM 380 CE3 TRP A 42 -13.474 -0.542 43.759 1.00 37.68 C ATOM 381 CZ2 TRP A 42 -15.366 1.472 44.379 1.00 41.42 C ATOM 382 CZ3 TRP A 42 -13.263 0.355 44.794 1.00 37.78 C ATOM 383 CH2 TRP A 42 -14.204 1.349 45.094 1.00 37.21 C ATOM 384 HE1 TRP A 42 -17.470 1.074 42.453 1.00 0.00 H ATOM 385 H TRP A 42 -16.948 -3.425 42.545 1.00 0.00 H ATOM 386 N LYS A 43 -13.074 -4.025 43.275 1.00 27.52 N ATOM 387 CA LYS A 43 -12.338 -4.124 44.524 1.00 27.28 C ATOM 388 C LYS A 43 -11.183 -3.131 44.508 1.00 31.56 C ATOM 389 O LYS A 43 -10.586 -2.897 43.453 1.00 26.50 O ATOM 390 CB LYS A 43 -11.804 -5.551 44.716 1.00 26.59 C ATOM 391 H LYS A 43 -12.541 -4.107 42.385 1.00 0.00 H ATOM 392 N PRO A 44 -10.850 -2.525 45.650 1.00 33.67 N ATOM 393 CA PRO A 44 -9.700 -1.610 45.686 1.00 34.27 C ATOM 394 C PRO A 44 -8.393 -2.391 45.704 1.00 32.99 C ATOM 395 O PRO A 44 -8.247 -3.364 46.450 1.00 28.20 O ATOM 396 CB PRO A 44 -9.905 -0.820 46.984 1.00 36.85 C ATOM 397 CG PRO A 44 -10.716 -1.724 47.848 1.00 27.16 C ATOM 398 CD PRO A 44 -11.562 -2.580 46.944 1.00 33.62 C ATOM 399 N LYS A 45 -7.448 -1.957 44.862 1.00 27.84 N ATOM 400 CA LYS A 45 -6.157 -2.616 44.707 1.00 23.67 C ATOM 401 C LYS A 45 -5.072 -1.550 44.588 1.00 17.80 C ATOM 402 O LYS A 45 -5.357 -0.367 44.380 1.00 22.84 O ATOM 403 CB LYS A 45 -6.141 -3.531 43.474 1.00 25.99 C ATOM 404 H LYS A 45 -7.644 -1.110 44.291 1.00 0.00 H ATOM 405 N MET A 46 -3.817 -1.986 44.745 1.00 16.24 N ATOM 406 CA MET A 46 -2.649 -1.146 44.496 1.00 19.86 C ATOM 407 C MET A 46 -1.847 -1.743 43.346 1.00 20.55 C ATOM 408 O MET A 46 -1.697 -2.965 43.264 1.00 25.03 O ATOM 409 CB MET A 46 -1.743 -1.039 45.727 1.00 20.66 C ATOM 410 CG MET A 46 -2.432 -0.565 46.990 1.00 26.57 C ATOM 411 SD MET A 46 -2.845 1.179 46.955 1.00 30.81 S ATOM 412 CE MET A 46 -1.249 1.946 46.724 1.00 26.32 C ATOM 413 H MET A 46 -3.667 -2.966 45.058 1.00 0.00 H ATOM 414 N ILE A 47 -1.317 -0.886 42.466 1.00 17.28 N ATOM 415 CA ILE A 47 -0.408 -1.333 41.416 1.00 14.08 C ATOM 416 C ILE A 47 0.803 -0.413 41.379 1.00 19.86 C ATOM 417 O ILE A 47 0.692 0.796 41.592 1.00 17.92 O ATOM 418 CB ILE A 47 -1.058 -1.385 40.013 1.00 22.56 C ATOM 419 CG1 ILE A 47 -1.877 -0.123 39.752 1.00 21.64 C ATOM 420 CG2 ILE A 47 -1.893 -2.646 39.866 1.00 40.32 C ATOM 421 CD1 ILE A 47 -2.109 0.147 38.290 1.00 32.05 C ATOM 422 H ILE A 47 -1.559 0.123 42.532 1.00 0.00 H ATOM 423 N GLY A 48 1.959 -0.991 41.074 1.00 16.34 N ATOM 424 CA GLY A 48 3.214 -0.263 41.040 1.00 20.02 C ATOM 425 C GLY A 48 3.739 -0.144 39.621 1.00 19.22 C ATOM 426 O GLY A 48 3.659 -1.093 38.839 1.00 20.71 O ATOM 427 H GLY A 48 1.965 -2.007 40.850 1.00 0.00 H ATOM 428 N GLY A 49 4.278 1.022 39.300 1.00 17.81 N ATOM 429 CA GLY A 49 4.914 1.292 38.034 1.00 17.94 C ATOM 430 C GLY A 49 6.319 1.833 38.263 1.00 23.06 C ATOM 431 O GLY A 49 6.945 1.608 39.289 1.00 18.26 O ATOM 432 H GLY A 49 4.241 1.788 40.002 1.00 0.00 H ATOM 433 N ILE A 50 6.792 2.582 37.264 1.00 14.21 N ATOM 434 CA ILE A 50 8.176 3.046 37.341 1.00 15.97 C ATOM 435 C ILE A 50 8.339 4.087 38.443 1.00 12.53 C ATOM 436 O ILE A 50 9.432 4.238 39.001 1.00 16.58 O ATOM 437 CB ILE A 50 8.647 3.589 35.977 1.00 15.61 C ATOM 438 CG1 ILE A 50 10.156 3.364 35.818 1.00 19.86 C ATOM 439 CG2 ILE A 50 8.284 5.050 35.825 1.00 20.38 C ATOM 440 CD1 ILE A 50 10.715 3.873 34.505 1.00 29.03 C ATOM 441 H ILE A 50 6.191 2.829 36.452 1.00 0.00 H ATOM 442 N GLY A 51 7.272 4.806 38.783 1.00 15.83 N ATOM 443 CA GLY A 51 7.389 5.937 39.687 1.00 19.69 C ATOM 444 C GLY A 51 6.905 5.679 41.096 1.00 21.92 C ATOM 445 O GLY A 51 7.084 6.519 41.984 1.00 18.35 O ATOM 446 H GLY A 51 6.340 4.554 38.396 1.00 0.00 H ATOM 447 N GLY A 52 6.297 4.526 41.316 1.00 21.14 N ATOM 448 CA GLY A 52 5.754 4.182 42.607 1.00 25.65 C ATOM 449 C GLY A 52 4.439 3.457 42.446 1.00 19.67 C ATOM 450 O GLY A 52 4.158 2.883 41.398 1.00 17.20 O ATOM 451 H GLY A 52 6.207 3.846 40.534 1.00 0.00 H ATOM 452 N PHE A 53 3.625 3.505 43.493 1.00 19.19 N ATOM 453 CA PHE A 53 2.372 2.768 43.542 1.00 18.06 C ATOM 454 C PHE A 53 1.186 3.719 43.539 1.00 16.79 C ATOM 455 O PHE A 53 1.269 4.845 44.038 1.00 21.31 O ATOM 456 CB PHE A 53 2.317 1.876 44.789 1.00 16.46 C ATOM 457 CG PHE A 53 3.212 0.686 44.706 1.00 24.10 C ATOM 458 CD1 PHE A 53 4.585 0.841 44.714 1.00 22.20 C ATOM 459 CD2 PHE A 53 2.686 -0.589 44.607 1.00 24.26 C ATOM 460 CE1 PHE A 53 5.419 -0.251 44.623 1.00 28.48 C ATOM 461 CE2 PHE A 53 3.517 -1.690 44.524 1.00 21.15 C ATOM 462 CZ PHE A 53 4.884 -1.520 44.528 1.00 31.65 C ATOM 463 H PHE A 53 3.893 4.091 44.309 1.00 0.00 H ATOM 464 N ILE A 54 0.075 3.251 42.970 1.00 17.96 N ATOM 465 CA ILE A 54 -1.164 4.016 42.934 1.00 19.35 C ATOM 466 C ILE A 54 -2.321 3.125 43.362 1.00 20.74 C ATOM 467 O ILE A 54 -2.261 1.898 43.256 1.00 17.72 O ATOM 468 CB ILE A 54 -1.444 4.608 41.530 1.00 18.71 C ATOM 469 CG1 ILE A 54 -1.619 3.492 40.500 1.00 15.81 C ATOM 470 CG2 ILE A 54 -0.316 5.553 41.102 1.00 19.75 C ATOM 471 CD1 ILE A 54 -2.199 3.958 39.171 1.00 20.69 C ATOM 472 H ILE A 54 0.094 2.306 42.536 1.00 0.00 H ATOM 473 N LYS A 55 -3.393 3.767 43.839 1.00 23.65 N ATOM 474 CA LYS A 55 -4.646 3.077 44.121 1.00 24.41 C ATOM 475 C LYS A 55 -5.449 2.935 42.837 1.00 22.33 C ATOM 476 O LYS A 55 -5.568 3.886 42.061 1.00 23.90 O ATOM 477 CB LYS A 55 -5.485 3.857 45.141 1.00 20.60 C ATOM 478 CG LYS A 55 -4.981 3.853 46.578 1.00 29.70 C ATOM 479 CD LYS A 55 -5.710 4.931 47.398 1.00 44.09 C ATOM 480 CE LYS A 55 -5.529 4.746 48.902 1.00 66.32 C ATOM 481 NZ LYS A 55 -6.074 5.903 49.685 1.00 53.54 N ATOM 482 HZ1 LYS A 55 -5.579 6.774 49.404 1.00 0.00 H ATOM 483 HZ2 LYS A 55 -7.091 6.003 49.491 1.00 0.00 H ATOM 484 HZ3 LYS A 55 -5.928 5.732 50.700 1.00 0.00 H ATOM 485 H LYS A 55 -3.331 4.790 44.014 1.00 0.00 H ATOM 486 N VAL A 56 -6.010 1.747 42.612 1.00 16.40 N ATOM 487 CA VAL A 56 -6.874 1.528 41.463 1.00 16.25 C ATOM 488 C VAL A 56 -8.101 0.739 41.893 1.00 28.39 C ATOM 489 O VAL A 56 -8.112 0.060 42.922 1.00 26.26 O ATOM 490 CB VAL A 56 -6.159 0.797 40.298 1.00 24.39 C ATOM 491 CG1 VAL A 56 -5.004 1.641 39.770 1.00 23.93 C ATOM 492 CG2 VAL A 56 -5.682 -0.581 40.726 1.00 22.93 C ATOM 493 H VAL A 56 -5.827 0.963 43.270 1.00 0.00 H ATOM 494 N ARG A 57 -9.149 0.862 41.086 1.00 17.89 N ATOM 495 CA ARG A 57 -10.337 0.025 41.194 1.00 23.20 C ATOM 496 C ARG A 57 -10.162 -1.149 40.242 1.00 25.40 C ATOM 497 O ARG A 57 -9.912 -0.949 39.050 1.00 23.55 O ATOM 498 CB ARG A 57 -11.588 0.838 40.849 1.00 28.21 C ATOM 499 CG ARG A 57 -11.712 2.128 41.648 1.00 32.44 C ATOM 500 CD ARG A 57 -13.139 2.684 41.655 1.00 39.68 C ATOM 501 NE ARG A 57 -13.755 2.694 40.331 1.00 46.43 N ATOM 502 CZ ARG A 57 -13.583 3.653 39.422 1.00 61.11 C ATOM 503 NH1 ARG A 57 -14.195 3.569 38.248 1.00 47.16 N ATOM 504 NH2 ARG A 57 -12.800 4.693 39.682 1.00 49.37 N ATOM 505 HE ARG A 57 -14.372 1.896 40.080 1.00 0.00 H ATOM 506 HH12 ARG A 57 -14.062 4.317 37.537 1.00 0.00 H ATOM 507 HH11 ARG A 57 -14.808 2.755 38.038 1.00 0.00 H ATOM 508 HH22 ARG A 57 -12.670 5.438 38.968 1.00 0.00 H ATOM 509 HH21 ARG A 57 -12.316 4.763 40.600 1.00 0.00 H ATOM 510 H ARG A 57 -9.120 1.589 40.343 1.00 0.00 H ATOM 511 N GLN A 58 -10.256 -2.369 40.764 1.00 19.75 N ATOM 512 CA GLN A 58 -10.110 -3.570 39.954 1.00 16.67 C ATOM 513 C GLN A 58 -11.483 -4.099 39.555 1.00 28.83 C ATOM 514 O GLN A 58 -12.268 -4.506 40.419 1.00 23.79 O ATOM 515 CB GLN A 58 -9.323 -4.649 40.697 1.00 19.93 C ATOM 516 CG GLN A 58 -9.124 -5.925 39.886 1.00 25.50 C ATOM 517 CD GLN A 58 -8.349 -6.982 40.637 1.00 24.34 C ATOM 518 OE1 GLN A 58 -7.265 -6.724 41.150 1.00 36.18 O ATOM 519 NE2 GLN A 58 -8.900 -8.187 40.701 1.00 37.76 N ATOM 520 HE22 GLN A 58 -9.821 -8.362 40.252 1.00 0.00 H ATOM 521 HE21 GLN A 58 -8.411 -8.957 41.201 1.00 0.00 H ATOM 522 H GLN A 58 -10.440 -2.468 41.783 1.00 0.00 H ATOM 523 N TYR A 59 -11.752 -4.111 38.246 1.00 26.77 N ATOM 524 CA TYR A 59 -12.968 -4.693 37.686 1.00 24.84 C ATOM 525 C TYR A 59 -12.619 -6.026 37.035 1.00 28.86 C ATOM 526 O TYR A 59 -11.766 -6.077 36.141 1.00 26.34 O ATOM 527 CB TYR A 59 -13.603 -3.769 36.648 1.00 20.99 C ATOM 528 CG TYR A 59 -14.120 -2.466 37.200 1.00 24.64 C ATOM 529 CD1 TYR A 59 -13.254 -1.409 37.446 1.00 22.33 C ATOM 530 CD2 TYR A 59 -15.474 -2.285 37.468 1.00 25.15 C ATOM 531 CE1 TYR A 59 -13.709 -0.214 37.947 1.00 28.12 C ATOM 532 CE2 TYR A 59 -15.943 -1.082 37.969 1.00 35.47 C ATOM 533 CZ TYR A 59 -15.052 -0.052 38.208 1.00 33.15 C ATOM 534 OH TYR A 59 -15.485 1.148 38.708 1.00 35.99 O ATOM 535 HH TYR A 59 -14.713 1.758 38.813 1.00 0.00 H ATOM 536 H TYR A 59 -11.062 -3.685 37.595 1.00 0.00 H ATOM 537 N ASP A 60 -13.296 -7.088 37.453 1.00 27.54 N ATOM 538 CA ASP A 60 -13.049 -8.421 36.926 1.00 27.92 C ATOM 539 C ASP A 60 -14.016 -8.744 35.793 1.00 25.72 C ATOM 540 O ASP A 60 -15.143 -8.244 35.746 1.00 25.98 O ATOM 541 CB ASP A 60 -13.189 -9.479 38.020 1.00 25.62 C ATOM 542 CG ASP A 60 -12.018 -9.492 38.988 1.00 40.95 C ATOM 543 OD1 ASP A 60 -10.924 -8.991 38.640 1.00 33.11 O ATOM 544 OD2 ASP A 60 -12.193 -10.023 40.102 1.00 31.64 O ATOM 545 H ASP A 60 -14.028 -6.963 38.182 1.00 0.00 H ATOM 546 N GLN A 61 -13.546 -9.578 34.868 1.00 21.49 N ATOM 547 CA GLN A 61 -14.364 -10.148 33.800 1.00 20.12 C ATOM 548 C GLN A 61 -15.099 -9.072 32.998 1.00 25.94 C ATOM 549 O GLN A 61 -16.299 -9.174 32.727 1.00 22.96 O ATOM 550 CB GLN A 61 -15.348 -11.169 34.375 1.00 28.56 C ATOM 551 CG GLN A 61 -15.477 -12.435 33.544 1.00 25.72 C ATOM 552 CD GLN A 61 -16.264 -13.527 34.248 1.00 32.97 C ATOM 553 OE1 GLN A 61 -15.984 -13.865 35.394 1.00 29.52 O ATOM 554 NE2 GLN A 61 -17.258 -14.079 33.560 1.00 25.46 N ATOM 555 HE22 GLN A 61 -17.459 -13.760 32.591 1.00 0.00 H ATOM 556 HE21 GLN A 61 -17.835 -14.830 33.991 1.00 0.00 H ATOM 557 H GLN A 61 -12.540 -9.838 34.908 1.00 0.00 H ATOM 558 N ILE A 62 -14.345 -8.055 32.574 1.00 20.41 N ATOM 559 CA ILE A 62 -14.894 -6.937 31.812 1.00 20.63 C ATOM 560 C ILE A 62 -14.718 -7.215 30.327 1.00 23.46 C ATOM 561 O ILE A 62 -13.632 -7.604 29.880 1.00 21.44 O ATOM 562 CB ILE A 62 -14.199 -5.616 32.195 1.00 22.20 C ATOM 563 CG1 ILE A 62 -14.482 -5.251 33.650 1.00 27.30 C ATOM 564 CG2 ILE A 62 -14.651 -4.490 31.255 1.00 25.24 C ATOM 565 CD1 ILE A 62 -15.946 -5.011 33.963 1.00 32.55 C ATOM 566 H ILE A 62 -13.329 -8.059 32.795 1.00 0.00 H ATOM 567 N LEU A 63 -15.779 -6.994 29.555 1.00 18.73 N ATOM 568 CA LEU A 63 -15.688 -7.093 28.105 1.00 20.66 C ATOM 569 C LEU A 63 -14.994 -5.850 27.559 1.00 26.03 C ATOM 570 O LEU A 63 -15.331 -4.724 27.929 1.00 20.03 O ATOM 571 CB LEU A 63 -17.077 -7.249 27.486 1.00 25.69 C ATOM 572 CG LEU A 63 -17.673 -8.658 27.475 1.00 29.79 C ATOM 573 CD1 LEU A 63 -17.793 -9.226 28.880 1.00 33.42 C ATOM 574 CD2 LEU A 63 -19.038 -8.665 26.778 1.00 42.81 C ATOM 575 H LEU A 63 -16.688 -6.746 29.995 1.00 0.00 H ATOM 576 N ILE A 64 -14.021 -6.055 26.683 1.00 19.71 N ATOM 577 CA ILE A 64 -13.271 -4.962 26.077 1.00 17.54 C ATOM 578 C ILE A 64 -12.829 -5.407 24.696 1.00 24.79 C ATOM 579 O ILE A 64 -12.272 -6.497 24.534 1.00 28.38 O ATOM 580 CB ILE A 64 -12.077 -4.552 26.962 1.00 23.15 C ATOM 581 CG1 ILE A 64 -11.265 -3.451 26.306 1.00 21.42 C ATOM 582 CG2 ILE A 64 -11.195 -5.760 27.278 1.00 28.00 C ATOM 583 CD1 ILE A 64 -10.239 -2.844 27.246 1.00 27.27 C ATOM 584 H ILE A 64 -13.784 -7.032 26.418 1.00 0.00 H ATOM 585 N GLU A 65 -13.099 -4.576 23.697 1.00 18.01 N ATOM 586 CA GLU A 65 -12.706 -4.853 22.323 1.00 21.56 C ATOM 587 C GLU A 65 -11.485 -4.008 21.993 1.00 24.12 C ATOM 588 O GLU A 65 -11.480 -2.800 22.236 1.00 26.16 O ATOM 589 CB GLU A 65 -13.844 -4.558 21.346 1.00 30.37 C ATOM 590 CG GLU A 65 -13.598 -5.080 19.933 1.00 28.57 C ATOM 591 CD GLU A 65 -14.860 -5.064 19.079 1.00 39.62 C ATOM 592 OE1 GLU A 65 -15.916 -4.623 19.583 1.00 40.95 O ATOM 593 OE2 GLU A 65 -14.792 -5.489 17.908 1.00 44.42 O ATOM 594 H GLU A 65 -13.610 -3.694 23.903 1.00 0.00 H ATOM 595 N ILE A 66 -10.452 -4.650 21.459 1.00 19.86 N ATOM 596 CA ILE A 66 -9.177 -4.001 21.172 1.00 18.46 C ATOM 597 C ILE A 66 -8.948 -4.141 19.680 1.00 18.30 C ATOM 598 O ILE A 66 -8.780 -5.257 19.177 1.00 21.70 O ATOM 599 CB ILE A 66 -8.023 -4.613 21.975 1.00 23.12 C ATOM 600 CG1 ILE A 66 -8.337 -4.541 23.473 1.00 21.33 C ATOM 601 CG2 ILE A 66 -6.717 -3.892 21.675 1.00 22.98 C ATOM 602 CD1 ILE A 66 -7.619 -5.570 24.299 1.00 20.58 C ATOM 603 H ILE A 66 -10.557 -5.660 21.235 1.00 0.00 H ATOM 604 N CYS A 67 -8.989 -3.022 18.963 1.00 23.51 N ATOM 605 CA CYS A 67 -8.723 -3.016 17.529 1.00 28.36 C ATOM 606 C CYS A 67 -9.464 -4.156 16.829 1.00 32.22 C ATOM 607 O CYS A 67 -8.900 -4.898 16.025 1.00 31.03 O ATOM 608 CB CYS A 67 -7.214 -3.099 17.272 1.00 31.94 C ATOM 609 SG CYS A 67 -6.701 -2.606 15.621 1.00 47.15 S ATOM 610 H CYS A 67 -9.217 -2.126 19.438 1.00 0.00 H ATOM 611 N GLY A 68 -10.744 -4.306 17.162 1.00 28.78 N ATOM 612 CA GLY A 68 -11.583 -5.292 16.515 1.00 30.69 C ATOM 613 C GLY A 68 -11.532 -6.686 17.102 1.00 38.08 C ATOM 614 O GLY A 68 -12.198 -7.587 16.572 1.00 29.00 O ATOM 615 H GLY A 68 -11.150 -3.701 17.904 1.00 0.00 H ATOM 616 N HIS A 69 -10.780 -6.898 18.176 1.00 24.49 N ATOM 617 CA HIS A 69 -10.640 -8.216 18.783 1.00 24.42 C ATOM 618 C HIS A 69 -11.159 -8.155 20.212 1.00 26.98 C ATOM 619 O HIS A 69 -10.769 -7.273 20.983 1.00 23.40 O ATOM 620 CB HIS A 69 -9.186 -8.691 18.773 1.00 24.80 C ATOM 621 CG HIS A 69 -8.636 -8.941 17.403 1.00 28.62 C ATOM 622 ND1 HIS A 69 -8.194 -10.181 16.995 1.00 29.06 N ATOM 623 CD2 HIS A 69 -8.432 -8.106 16.357 1.00 28.68 C ATOM 624 CE1 HIS A 69 -7.749 -10.102 15.753 1.00 30.71 C ATOM 625 NE2 HIS A 69 -7.888 -8.854 15.341 1.00 29.47 N ATOM 626 H HIS A 69 -10.273 -6.095 18.599 1.00 0.00 H ATOM 627 N LYS A 70 -12.012 -9.106 20.564 1.00 20.56 N ATOM 628 CA LYS A 70 -12.701 -9.104 21.842 1.00 19.96 C ATOM 629 C LYS A 70 -11.865 -9.785 22.914 1.00 21.35 C ATOM 630 O LYS A 70 -11.191 -10.782 22.656 1.00 21.92 O ATOM 631 CB LYS A 70 -14.057 -9.808 21.716 1.00 28.91 C ATOM 632 H LYS A 70 -12.195 -9.884 19.899 1.00 0.00 H ATOM 633 N ALA A 71 -11.908 -9.226 24.116 1.00 21.18 N ATOM 634 CA ALA A 71 -11.287 -9.821 25.287 1.00 20.97 C ATOM 635 C ALA A 71 -12.257 -9.687 26.450 1.00 23.26 C ATOM 636 O ALA A 71 -13.127 -8.814 26.463 1.00 24.45 O ATOM 637 CB ALA A 71 -9.955 -9.146 25.633 1.00 18.91 C ATOM 638 H ALA A 71 -12.409 -8.321 24.225 1.00 0.00 H ATOM 639 N ILE A 72 -12.107 -10.568 27.434 1.00 15.25 N ATOM 640 CA ILE A 72 -12.859 -10.470 28.679 1.00 17.23 C ATOM 641 C ILE A 72 -11.879 -10.748 29.810 1.00 19.87 C ATOM 642 O ILE A 72 -11.408 -11.883 29.960 1.00 21.92 O ATOM 643 CB ILE A 72 -14.048 -11.440 28.741 1.00 16.32 C ATOM 644 CG1 ILE A 72 -14.932 -11.268 27.506 1.00 16.18 C ATOM 645 CG2 ILE A 72 -14.832 -11.201 30.025 1.00 21.50 C ATOM 646 CD1 ILE A 72 -16.000 -12.374 27.352 1.00 22.48 C ATOM 647 H ILE A 72 -11.433 -11.351 27.312 1.00 0.00 H ATOM 648 N GLY A 73 -11.583 -9.732 30.611 1.00 17.73 N ATOM 649 CA GLY A 73 -10.564 -9.893 31.620 1.00 20.13 C ATOM 650 C GLY A 73 -10.536 -8.735 32.589 1.00 19.79 C ATOM 651 O GLY A 73 -11.439 -7.902 32.620 1.00 23.37 O ATOM 652 H GLY A 73 -12.082 -8.825 30.512 1.00 0.00 H ATOM 653 N THR A 74 -9.477 -8.708 33.391 1.00 15.49 N ATOM 654 CA THR A 74 -9.361 -7.743 34.471 1.00 20.92 C ATOM 655 C THR A 74 -8.919 -6.397 33.920 1.00 18.33 C ATOM 656 O THR A 74 -8.022 -6.321 33.080 1.00 17.02 O ATOM 657 CB THR A 74 -8.363 -8.238 35.519 1.00 26.43 C ATOM 658 OG1 THR A 74 -8.796 -9.505 36.025 1.00 29.09 O ATOM 659 CG2 THR A 74 -8.254 -7.256 36.674 1.00 24.54 C ATOM 660 HG1 THR A 74 -8.846 -10.156 35.281 1.00 0.00 H ATOM 661 H THR A 74 -8.711 -9.396 33.242 1.00 0.00 H ATOM 662 N VAL A 75 -9.580 -5.339 34.382 1.00 19.25 N ATOM 663 CA VAL A 75 -9.257 -3.964 34.014 1.00 17.36 C ATOM 664 C VAL A 75 -9.102 -3.161 35.297 1.00 19.65 C ATOM 665 O VAL A 75 -10.001 -3.162 36.147 1.00 21.20 O ATOM 666 CB VAL A 75 -10.343 -3.338 33.118 1.00 21.88 C ATOM 667 CG1 VAL A 75 -10.063 -1.864 32.904 1.00 24.61 C ATOM 668 CG2 VAL A 75 -10.426 -4.069 31.776 1.00 20.87 C ATOM 669 H VAL A 75 -10.369 -5.500 35.040 1.00 0.00 H ATOM 670 N LEU A 76 -7.969 -2.482 35.435 1.00 17.42 N ATOM 671 CA LEU A 76 -7.704 -1.609 36.567 1.00 17.10 C ATOM 672 C LEU A 76 -7.971 -0.170 36.154 1.00 19.16 C ATOM 673 O LEU A 76 -7.608 0.241 35.049 1.00 18.59 O ATOM 674 CB LEU A 76 -6.258 -1.757 37.052 1.00 18.97 C ATOM 675 CG LEU A 76 -5.798 -3.194 37.276 1.00 16.56 C ATOM 676 CD1 LEU A 76 -4.363 -3.269 37.797 1.00 17.31 C ATOM 677 CD2 LEU A 76 -6.745 -3.908 38.221 1.00 17.89 C ATOM 678 H LEU A 76 -7.239 -2.579 34.701 1.00 0.00 H ATOM 679 N VAL A 77 -8.621 0.588 37.038 1.00 16.08 N ATOM 680 CA VAL A 77 -9.022 1.962 36.746 1.00 14.33 C ATOM 681 C VAL A 77 -8.439 2.866 37.818 1.00 17.37 C ATOM 682 O VAL A 77 -8.696 2.673 39.013 1.00 17.46 O ATOM 683 CB VAL A 77 -10.550 2.121 36.673 1.00 24.19 C ATOM 684 CG1 VAL A 77 -10.908 3.589 36.492 1.00 15.88 C ATOM 685 CG2 VAL A 77 -11.131 1.276 35.550 1.00 23.71 C ATOM 686 H VAL A 77 -8.851 0.186 37.969 1.00 0.00 H ATOM 687 N GLY A 78 -7.668 3.858 37.394 1.00 25.06 N ATOM 688 CA GLY A 78 -7.042 4.762 38.325 1.00 22.57 C ATOM 689 C GLY A 78 -6.222 5.832 37.641 1.00 18.30 C ATOM 690 O GLY A 78 -6.265 5.998 36.419 1.00 18.62 O ATOM 691 H GLY A 78 -7.513 3.985 36.374 1.00 0.00 H ATOM 692 N PRO A 79 -5.448 6.580 38.428 1.00 22.31 N ATOM 693 CA PRO A 79 -4.671 7.713 37.885 1.00 19.06 C ATOM 694 C PRO A 79 -3.397 7.275 37.165 1.00 16.85 C ATOM 695 O PRO A 79 -2.279 7.635 37.532 1.00 22.55 O ATOM 696 CB PRO A 79 -4.387 8.548 39.145 1.00 24.16 C ATOM 697 CG PRO A 79 -4.351 7.544 40.263 1.00 24.03 C ATOM 698 CD PRO A 79 -5.368 6.490 39.900 1.00 23.90 C ATOM 699 N THR A 80 -3.566 6.487 36.119 1.00 20.56 N ATOM 700 CA THR A 80 -2.461 6.170 35.235 1.00 19.37 C ATOM 701 C THR A 80 -2.244 7.324 34.258 1.00 15.90 C ATOM 702 O THR A 80 -3.194 8.016 33.888 1.00 21.05 O ATOM 703 CB THR A 80 -2.740 4.881 34.463 1.00 16.25 C ATOM 704 OG1 THR A 80 -1.693 4.668 33.518 1.00 19.22 O ATOM 705 CG2 THR A 80 -4.087 4.944 33.738 1.00 15.95 C ATOM 706 HG1 THR A 80 -1.657 5.432 32.890 1.00 0.00 H ATOM 707 H THR A 80 -4.507 6.087 35.926 1.00 0.00 H ATOM 708 N PRO A 81 -1.000 7.555 33.831 1.00 15.65 N ATOM 709 CA PRO A 81 -0.751 8.636 32.859 1.00 20.70 C ATOM 710 C PRO A 81 -1.356 8.387 31.494 1.00 20.11 C ATOM 711 O PRO A 81 -1.555 9.350 30.742 1.00 18.77 O ATOM 712 CB PRO A 81 0.781 8.693 32.775 1.00 20.70 C ATOM 713 CG PRO A 81 1.233 7.337 33.186 1.00 25.75 C ATOM 714 CD PRO A 81 0.252 6.898 34.248 1.00 16.99 C ATOM 715 N VAL A 82 -1.643 7.134 31.144 1.00 17.30 N ATOM 716 CA VAL A 82 -2.163 6.802 29.824 1.00 20.37 C ATOM 717 C VAL A 82 -2.903 5.478 29.933 1.00 17.50 C ATOM 718 O VAL A 82 -2.564 4.623 30.763 1.00 17.39 O ATOM 719 CB VAL A 82 -1.018 6.746 28.779 1.00 31.92 C ATOM 720 CG1 VAL A 82 0.041 5.751 29.209 1.00 29.16 C ATOM 721 CG2 VAL A 82 -1.548 6.394 27.393 1.00 40.18 C ATOM 722 H VAL A 82 -1.491 6.370 31.833 1.00 0.00 H ATOM 723 N ASN A 83 -3.928 5.313 29.094 1.00 18.56 N ATOM 724 CA ASN A 83 -4.594 4.023 28.962 1.00 19.92 C ATOM 725 C ASN A 83 -3.610 3.008 28.405 1.00 15.33 C ATOM 726 O ASN A 83 -3.105 3.177 27.288 1.00 16.37 O ATOM 727 CB ASN A 83 -5.792 4.123 28.024 1.00 17.70 C ATOM 728 CG ASN A 83 -6.885 5.031 28.551 1.00 22.34 C ATOM 729 OD1 ASN A 83 -7.159 5.087 29.750 1.00 19.38 O ATOM 730 ND2 ASN A 83 -7.536 5.727 27.640 1.00 19.33 N ATOM 731 HD22 ASN A 83 -7.270 5.649 26.638 1.00 0.00 H ATOM 732 HD21 ASN A 83 -8.315 6.354 27.924 1.00 0.00 H ATOM 733 H ASN A 83 -4.257 6.119 28.525 1.00 0.00 H ATOM 734 N ILE A 84 -3.336 1.951 29.161 1.00 12.21 N ATOM 735 CA ILE A 84 -2.415 0.923 28.709 1.00 14.34 C ATOM 736 C ILE A 84 -3.135 -0.413 28.680 1.00 13.58 C ATOM 737 O ILE A 84 -3.868 -0.756 29.616 1.00 13.41 O ATOM 738 CB ILE A 84 -1.144 0.855 29.574 1.00 17.83 C ATOM 739 CG1 ILE A 84 -1.455 0.501 31.022 1.00 17.90 C ATOM 740 CG2 ILE A 84 -0.408 2.192 29.514 1.00 14.81 C ATOM 741 CD1 ILE A 84 -0.210 0.321 31.847 1.00 19.14 C ATOM 742 H ILE A 84 -3.789 1.858 30.093 1.00 0.00 H ATOM 743 N ILE A 85 -2.932 -1.151 27.593 1.00 13.76 N ATOM 744 CA ILE A 85 -3.396 -2.521 27.450 1.00 7.81 C ATOM 745 C ILE A 85 -2.230 -3.431 27.804 1.00 15.73 C ATOM 746 O ILE A 85 -1.191 -3.414 27.129 1.00 13.10 O ATOM 747 CB ILE A 85 -3.887 -2.806 26.023 1.00 12.24 C ATOM 748 CG1 ILE A 85 -4.953 -1.793 25.583 1.00 16.41 C ATOM 749 CG2 ILE A 85 -4.461 -4.225 25.945 1.00 14.01 C ATOM 750 CD1 ILE A 85 -6.184 -1.814 26.434 1.00 15.49 C ATOM 751 H ILE A 85 -2.412 -0.724 26.800 1.00 0.00 H ATOM 752 N GLY A 86 -2.404 -4.235 28.855 1.00 13.91 N ATOM 753 CA GLY A 86 -1.358 -5.112 29.327 1.00 12.76 C ATOM 754 C GLY A 86 -1.436 -6.513 28.745 1.00 11.65 C ATOM 755 O GLY A 86 -2.305 -6.849 27.939 1.00 13.71 O ATOM 756 H GLY A 86 -3.319 -4.230 29.348 1.00 0.00 H ATOM 757 N ARG A 87 -0.485 -7.348 29.177 1.00 12.35 N ATOM 758 CA ARG A 87 -0.379 -8.696 28.631 1.00 19.06 C ATOM 759 C ARG A 87 -1.610 -9.542 28.947 1.00 15.94 C ATOM 760 O ARG A 87 -1.906 -10.500 28.218 1.00 16.90 O ATOM 761 CB ARG A 87 0.879 -9.374 29.171 1.00 11.93 C ATOM 762 CG ARG A 87 2.183 -8.754 28.670 1.00 11.31 C ATOM 763 CD ARG A 87 3.406 -9.599 29.062 1.00 11.62 C ATOM 764 NE ARG A 87 3.579 -9.609 30.515 1.00 15.57 N ATOM 765 CZ ARG A 87 3.203 -10.599 31.324 1.00 13.83 C ATOM 766 NH1 ARG A 87 2.631 -11.690 30.850 1.00 12.28 N ATOM 767 NH2 ARG A 87 3.401 -10.488 32.629 1.00 14.61 N ATOM 768 HE ARG A 87 4.030 -8.779 30.950 1.00 0.00 H ATOM 769 HH12 ARG A 87 2.345 -12.451 31.499 1.00 0.00 H ATOM 770 HH11 ARG A 87 2.466 -11.789 29.828 1.00 0.00 H ATOM 771 HH22 ARG A 87 3.110 -11.257 33.266 1.00 0.00 H ATOM 772 HH21 ARG A 87 3.847 -9.632 33.016 1.00 0.00 H ATOM 773 H ARG A 87 0.184 -7.034 29.908 1.00 0.00 H ATOM 774 N ASN A 88 -2.336 -9.219 30.022 1.00 13.50 N ATOM 775 CA ASN A 88 -3.488 -10.040 30.391 1.00 16.93 C ATOM 776 C ASN A 88 -4.551 -10.030 29.297 1.00 16.50 C ATOM 777 O ASN A 88 -5.255 -11.031 29.101 1.00 15.45 O ATOM 778 CB ASN A 88 -4.067 -9.577 31.734 1.00 16.25 C ATOM 779 CG ASN A 88 -4.785 -8.234 31.642 1.00 15.77 C ATOM 780 OD1 ASN A 88 -4.227 -7.251 31.166 1.00 14.69 O ATOM 781 ND2 ASN A 88 -6.028 -8.196 32.111 1.00 17.60 N ATOM 782 HD22 ASN A 88 -6.461 -9.055 32.506 1.00 0.00 H ATOM 783 HD21 ASN A 88 -6.567 -7.307 32.083 1.00 0.00 H ATOM 784 H ASN A 88 -2.083 -8.388 30.593 1.00 0.00 H ATOM 785 N LEU A 89 -4.667 -8.926 28.560 1.00 17.96 N ATOM 786 CA LEU A 89 -5.595 -8.855 27.441 1.00 17.85 C ATOM 787 C LEU A 89 -4.920 -9.085 26.096 1.00 16.94 C ATOM 788 O LEU A 89 -5.552 -9.626 25.182 1.00 14.52 O ATOM 789 CB LEU A 89 -6.308 -7.500 27.426 1.00 17.57 C ATOM 790 CG LEU A 89 -7.124 -7.137 28.674 1.00 17.38 C ATOM 791 CD1 LEU A 89 -7.794 -5.782 28.496 1.00 20.97 C ATOM 792 CD2 LEU A 89 -8.156 -8.219 28.979 1.00 21.23 C ATOM 793 H LEU A 89 -4.082 -8.097 28.789 1.00 0.00 H ATOM 794 N MET A 90 -3.642 -8.713 25.954 1.00 17.39 N ATOM 795 CA MET A 90 -2.963 -8.926 24.680 1.00 16.79 C ATOM 796 C MET A 90 -2.843 -10.413 24.354 1.00 17.12 C ATOM 797 O MET A 90 -2.883 -10.786 23.178 1.00 19.73 O ATOM 798 CB MET A 90 -1.583 -8.250 24.696 1.00 18.16 C ATOM 799 CG MET A 90 -1.635 -6.737 24.461 1.00 20.00 C ATOM 800 SD MET A 90 -0.033 -5.986 24.063 1.00 21.11 S ATOM 801 CE MET A 90 0.581 -5.765 25.709 1.00 20.77 C ATOM 802 H MET A 90 -3.135 -8.274 26.749 1.00 0.00 H ATOM 803 N THR A 91 -2.715 -11.278 25.372 1.00 13.99 N ATOM 804 CA THR A 91 -2.700 -12.713 25.113 1.00 14.69 C ATOM 805 C THR A 91 -4.039 -13.179 24.546 1.00 17.28 C ATOM 806 O THR A 91 -4.082 -14.081 23.704 1.00 17.71 O ATOM 807 CB THR A 91 -2.383 -13.499 26.390 1.00 19.65 C ATOM 808 OG1 THR A 91 -3.324 -13.150 27.413 1.00 21.54 O ATOM 809 CG2 THR A 91 -0.957 -13.224 26.872 1.00 17.55 C ATOM 810 HG1 THR A 91 -3.118 -13.659 28.237 1.00 0.00 H ATOM 811 H THR A 91 -2.626 -10.925 26.346 1.00 0.00 H ATOM 812 N GLN A 92 -5.143 -12.566 24.998 1.00 17.19 N ATOM 813 CA GLN A 92 -6.473 -12.997 24.578 1.00 17.37 C ATOM 814 C GLN A 92 -6.740 -12.661 23.118 1.00 22.79 C ATOM 815 O GLN A 92 -7.538 -13.338 22.466 1.00 21.06 O ATOM 816 CB GLN A 92 -7.553 -12.349 25.448 1.00 15.20 C ATOM 817 CG GLN A 92 -7.542 -12.764 26.924 1.00 16.08 C ATOM 818 CD GLN A 92 -8.858 -12.455 27.634 1.00 18.38 C ATOM 819 OE1 GLN A 92 -9.878 -12.176 26.995 1.00 22.29 O ATOM 820 NE2 GLN A 92 -8.842 -12.520 28.962 1.00 21.48 N ATOM 821 HE22 GLN A 92 -7.961 -12.759 29.460 1.00 0.00 H ATOM 822 HE21 GLN A 92 -9.711 -12.332 29.502 1.00 0.00 H ATOM 823 H GLN A 92 -5.050 -11.769 25.660 1.00 0.00 H ATOM 824 N ILE A 93 -6.110 -11.612 22.593 1.00 18.02 N ATOM 825 CA ILE A 93 -6.303 -11.230 21.198 1.00 20.67 C ATOM 826 C ILE A 93 -5.206 -11.791 20.303 1.00 21.28 C ATOM 827 O ILE A 93 -5.168 -11.484 19.104 1.00 20.07 O ATOM 828 CB ILE A 93 -6.423 -9.702 21.057 1.00 15.48 C ATOM 829 CG1 ILE A 93 -5.162 -8.990 21.530 1.00 25.11 C ATOM 830 CG2 ILE A 93 -7.628 -9.203 21.853 1.00 22.36 C ATOM 831 CD1 ILE A 93 -5.071 -7.540 21.047 1.00 25.18 C ATOM 832 H ILE A 93 -5.467 -11.053 23.190 1.00 0.00 H ATOM 833 N GLY A 94 -4.317 -12.616 20.853 1.00 18.25 N ATOM 834 CA GLY A 94 -3.317 -13.295 20.054 1.00 22.77 C ATOM 835 C GLY A 94 -2.109 -12.463 19.700 1.00 25.61 C ATOM 836 O GLY A 94 -1.478 -12.705 18.665 1.00 19.93 O ATOM 837 H GLY A 94 -4.341 -12.777 21.880 1.00 0.00 H ATOM 838 N CYS A 95 -1.760 -11.497 20.539 1.00 17.72 N ATOM 839 CA CYS A 95 -0.685 -10.568 20.231 1.00 21.01 C ATOM 840 C CYS A 95 0.662 -11.177 20.610 1.00 18.86 C ATOM 841 O CYS A 95 0.828 -11.721 21.707 1.00 19.62 O ATOM 842 CB CYS A 95 -0.933 -9.249 20.972 1.00 27.21 C ATOM 843 SG CYS A 95 -0.011 -7.858 20.316 1.00 34.66 S ATOM 844 H CYS A 95 -2.269 -11.402 21.441 1.00 0.00 H ATOM 845 N THR A 96 1.617 -11.107 19.684 1.00 17.51 N ATOM 846 CA THR A 96 2.977 -11.558 19.916 1.00 15.67 C ATOM 847 C THR A 96 3.958 -10.489 19.449 1.00 19.55 C ATOM 848 O THR A 96 3.625 -9.623 18.639 1.00 17.09 O ATOM 849 CB THR A 96 3.275 -12.864 19.180 1.00 20.21 C ATOM 850 OG1 THR A 96 3.200 -12.638 17.766 1.00 16.55 O ATOM 851 CG2 THR A 96 2.268 -13.940 19.572 1.00 25.79 C ATOM 852 HG1 THR A 96 3.865 -11.952 17.507 1.00 0.00 H ATOM 853 H THR A 96 1.377 -10.711 18.753 1.00 0.00 H ATOM 854 N LEU A 97 5.169 -10.560 19.985 1.00 15.42 N ATOM 855 CA LEU A 97 6.300 -9.783 19.503 1.00 16.93 C ATOM 856 C LEU A 97 7.105 -10.644 18.540 1.00 16.19 C ATOM 857 O LEU A 97 7.306 -11.838 18.783 1.00 21.54 O ATOM 858 CB LEU A 97 7.183 -9.320 20.659 1.00 16.71 C ATOM 859 CG LEU A 97 6.643 -8.183 21.516 1.00 15.75 C ATOM 860 CD1 LEU A 97 7.388 -8.130 22.842 1.00 20.15 C ATOM 861 CD2 LEU A 97 6.767 -6.857 20.774 1.00 16.91 C ATOM 862 H LEU A 97 5.317 -11.203 20.789 1.00 0.00 H ATOM 863 N ASN A 98 7.556 -10.038 17.440 1.00 20.23 N ATOM 864 CA ASN A 98 8.252 -10.774 16.391 1.00 25.55 C ATOM 865 C ASN A 98 9.417 -9.942 15.875 1.00 21.36 C ATOM 866 O ASN A 98 9.265 -8.741 15.643 1.00 24.89 O ATOM 867 CB ASN A 98 7.303 -11.120 15.228 1.00 19.30 C ATOM 868 CG ASN A 98 6.075 -11.907 15.679 1.00 24.81 C ATOM 869 OD1 ASN A 98 5.084 -11.337 16.137 1.00 22.96 O ATOM 870 ND2 ASN A 98 6.131 -13.222 15.522 1.00 25.21 N ATOM 871 HD22 ASN A 98 6.988 -13.663 15.131 1.00 0.00 H ATOM 872 HD21 ASN A 98 5.318 -13.813 15.790 1.00 0.00 H ATOM 873 H ASN A 98 7.407 -9.015 17.328 1.00 0.00 H ATOM 874 N PHE A 99 10.572 -10.574 15.717 1.00 17.35 N ATOM 875 CA PHE A 99 11.714 -9.936 15.058 1.00 26.37 C ATOM 876 C PHE A 99 12.625 -11.006 14.460 1.00 33.07 C ATOM 877 O PHE A 99 13.715 -10.708 13.981 1.00 34.64 O ATOM 878 CB PHE A 99 12.506 -9.027 16.015 1.00 27.01 C ATOM 879 CG PHE A 99 13.014 -9.713 17.259 1.00 32.27 C ATOM 880 CD1 PHE A 99 12.353 -9.553 18.462 1.00 33.91 C ATOM 881 CD2 PHE A 99 14.168 -10.477 17.235 1.00 32.66 C ATOM 882 CE1 PHE A 99 12.812 -10.164 19.611 1.00 34.70 C ATOM 883 CE2 PHE A 99 14.631 -11.099 18.387 1.00 39.03 C ATOM 884 CZ PHE A 99 13.948 -10.939 19.574 1.00 40.51 C ATOM 885 OXT PHE A 99 12.290 -12.191 14.460 1.00 30.36 O ATOM 886 H PHE A 99 10.669 -11.547 16.070 1.00 0.00 H TER 887 PHE A 99 ATOM 888 N PRO B 1 12.670 -14.467 15.940 1.00 45.48 N ATOM 889 CA PRO B 1 11.767 -15.345 16.694 1.00 37.68 C ATOM 890 C PRO B 1 10.417 -14.709 16.980 1.00 31.66 C ATOM 891 O PRO B 1 10.205 -13.530 16.686 1.00 25.76 O ATOM 892 CB PRO B 1 12.531 -15.595 18.005 1.00 43.75 C ATOM 893 CG PRO B 1 13.448 -14.431 18.136 1.00 43.08 C ATOM 894 CD PRO B 1 13.858 -14.092 16.729 1.00 35.54 C ATOM 895 HN2 PRO B 1 12.156 -13.603 15.675 1.00 0.00 H ATOM 896 HN1 PRO B 1 12.980 -14.962 15.080 1.00 0.00 H ATOM 897 N GLN B 2 9.512 -15.497 17.546 1.00 31.48 N ATOM 898 CA GLN B 2 8.202 -15.028 17.972 1.00 29.77 C ATOM 899 C GLN B 2 8.100 -15.194 19.480 1.00 28.62 C ATOM 900 O GLN B 2 8.331 -16.289 20.007 1.00 24.98 O ATOM 901 CB GLN B 2 7.078 -15.798 17.286 1.00 34.36 C ATOM 902 CG GLN B 2 5.698 -15.465 17.838 1.00 29.88 C ATOM 903 CD GLN B 2 4.579 -15.968 16.948 1.00 36.08 C ATOM 904 OE1 GLN B 2 4.309 -15.402 15.892 1.00 30.81 O ATOM 905 NE2 GLN B 2 3.920 -17.038 17.378 1.00 33.85 N ATOM 906 HE22 GLN B 2 4.184 -17.484 18.279 1.00 0.00 H ATOM 907 HE21 GLN B 2 3.140 -17.430 16.813 1.00 0.00 H ATOM 908 H GLN B 2 9.750 -16.499 17.692 1.00 0.00 H ATOM 909 N ILE B 3 7.753 -14.115 20.169 1.00 22.61 N ATOM 910 CA ILE B 3 7.667 -14.108 21.625 1.00 20.30 C ATOM 911 C ILE B 3 6.206 -13.935 22.009 1.00 26.12 C ATOM 912 O ILE B 3 5.594 -12.903 21.700 1.00 15.72 O ATOM 913 CB ILE B 3 8.539 -13.000 22.231 1.00 21.09 C ATOM 914 CG1 ILE B 3 9.998 -13.218 21.833 1.00 21.65 C ATOM 915 CG2 ILE B 3 8.374 -12.958 23.747 1.00 24.79 C ATOM 916 CD1 ILE B 3 10.908 -12.110 22.261 1.00 21.33 C ATOM 917 H ILE B 3 7.534 -13.240 19.651 1.00 0.00 H ATOM 918 N THR B 4 5.647 -14.941 22.678 1.00 21.67 N ATOM 919 CA THR B 4 4.302 -14.823 23.215 1.00 16.91 C ATOM 920 C THR B 4 4.332 -14.005 24.507 1.00 12.60 C ATOM 921 O THR B 4 5.387 -13.739 25.083 1.00 19.07 O ATOM 922 CB THR B 4 3.681 -16.199 23.465 1.00 25.03 C ATOM 923 OG1 THR B 4 4.470 -16.930 24.409 1.00 27.91 O ATOM 924 CG2 THR B 4 3.583 -16.991 22.161 1.00 26.81 C ATOM 925 HG1 THR B 4 4.060 -17.818 24.563 1.00 0.00 H ATOM 926 H THR B 4 6.180 -15.823 22.818 1.00 0.00 H ATOM 927 N LEU B 5 3.152 -13.597 24.961 1.00 14.78 N ATOM 928 CA LEU B 5 3.050 -12.679 26.091 1.00 15.92 C ATOM 929 C LEU B 5 2.407 -13.339 27.307 1.00 13.39 C ATOM 930 O LEU B 5 1.929 -12.643 28.206 1.00 13.14 O ATOM 931 CB LEU B 5 2.288 -11.424 25.677 1.00 14.45 C ATOM 932 CG LEU B 5 2.966 -10.632 24.546 1.00 13.25 C ATOM 933 CD1 LEU B 5 2.067 -9.503 24.061 1.00 17.26 C ATOM 934 CD2 LEU B 5 4.331 -10.094 25.007 1.00 18.99 C ATOM 935 H LEU B 5 2.284 -13.939 24.502 1.00 0.00 H ATOM 936 N TRP B 6 2.419 -14.677 27.356 1.00 14.77 N ATOM 937 CA TRP B 6 1.988 -15.385 28.555 1.00 16.67 C ATOM 938 C TRP B 6 2.799 -14.952 29.764 1.00 15.70 C ATOM 939 O TRP B 6 2.256 -14.791 30.864 1.00 18.93 O ATOM 940 CB TRP B 6 2.138 -16.888 28.360 1.00 16.25 C ATOM 941 CG TRP B 6 1.277 -17.488 27.312 1.00 13.72 C ATOM 942 CD1 TRP B 6 1.687 -18.107 26.173 1.00 20.05 C ATOM 943 CD2 TRP B 6 -0.153 -17.570 27.324 1.00 18.16 C ATOM 944 NE1 TRP B 6 0.602 -18.564 25.464 1.00 20.32 N ATOM 945 CE2 TRP B 6 -0.540 -18.245 26.151 1.00 18.53 C ATOM 946 CE3 TRP B 6 -1.141 -17.132 28.208 1.00 26.70 C ATOM 947 CZ2 TRP B 6 -1.873 -18.486 25.836 1.00 26.12 C ATOM 948 CZ3 TRP B 6 -2.469 -17.387 27.898 1.00 21.59 C ATOM 949 CH2 TRP B 6 -2.818 -18.059 26.723 1.00 25.70 C ATOM 950 HE1 TRP B 6 0.641 -19.069 24.556 1.00 0.00 H ATOM 951 H TRP B 6 2.740 -15.218 26.528 1.00 0.00 H ATOM 952 N LYS B 7 4.105 -14.794 29.585 1.00 14.82 N ATOM 953 CA LYS B 7 5.013 -14.322 30.613 1.00 14.33 C ATOM 954 C LYS B 7 5.663 -13.025 30.137 1.00 16.78 C ATOM 955 O LYS B 7 5.538 -12.626 28.974 1.00 14.01 O ATOM 956 CB LYS B 7 6.076 -15.383 30.936 1.00 16.97 C ATOM 957 CG LYS B 7 7.125 -15.591 29.843 1.00 31.87 C ATOM 958 CD LYS B 7 7.955 -16.866 30.058 1.00 42.41 C ATOM 959 CE LYS B 7 8.758 -16.821 31.350 1.00 56.07 C ATOM 960 NZ LYS B 7 9.527 -18.083 31.581 1.00 65.02 N ATOM 961 HZ1 LYS B 7 8.867 -18.884 31.638 1.00 0.00 H ATOM 962 HZ2 LYS B 7 10.189 -18.233 30.793 1.00 0.00 H ATOM 963 HZ3 LYS B 7 10.058 -18.006 32.472 1.00 0.00 H ATOM 964 H LYS B 7 4.501 -15.023 28.651 1.00 0.00 H ATOM 965 N ARG B 8 6.362 -12.368 31.050 1.00 16.01 N ATOM 966 CA ARG B 8 7.054 -11.128 30.710 1.00 16.19 C ATOM 967 C ARG B 8 8.055 -11.378 29.588 1.00 15.60 C ATOM 968 O ARG B 8 8.810 -12.355 29.647 1.00 15.50 O ATOM 969 CB ARG B 8 7.774 -10.573 31.939 1.00 17.82 C ATOM 970 CG ARG B 8 6.847 -10.044 33.011 1.00 17.59 C ATOM 971 CD ARG B 8 7.622 -9.364 34.146 1.00 20.06 C ATOM 972 NE ARG B 8 6.732 -8.903 35.208 1.00 33.52 N ATOM 973 CZ ARG B 8 6.973 -7.858 35.997 1.00 42.77 C ATOM 974 NH1 ARG B 8 8.085 -7.145 35.850 1.00 39.75 N ATOM 975 NH2 ARG B 8 6.096 -7.520 36.934 1.00 33.91 N ATOM 976 HE ARG B 8 5.847 -9.428 35.359 1.00 0.00 H ATOM 977 HH12 ARG B 8 8.266 -6.330 36.470 1.00 0.00 H ATOM 978 HH11 ARG B 8 8.774 -7.402 35.115 1.00 0.00 H ATOM 979 HH22 ARG B 8 6.283 -6.704 37.551 1.00 0.00 H ATOM 980 HH21 ARG B 8 5.222 -8.071 37.051 1.00 0.00 H ATOM 981 H ARG B 8 6.419 -12.739 32.020 1.00 0.00 H ATOM 982 N PRO B 9 8.098 -10.525 28.552 1.00 12.92 N ATOM 983 CA PRO B 9 9.038 -10.759 27.439 1.00 13.60 C ATOM 984 C PRO B 9 10.452 -10.298 27.772 1.00 15.67 C ATOM 985 O PRO B 9 10.967 -9.311 27.239 1.00 14.59 O ATOM 986 CB PRO B 9 8.403 -9.956 26.299 1.00 17.32 C ATOM 987 CG PRO B 9 7.770 -8.792 27.001 1.00 17.19 C ATOM 988 CD PRO B 9 7.232 -9.349 28.308 1.00 14.37 C ATOM 989 N LEU B 10 11.098 -11.061 28.649 1.00 18.63 N ATOM 990 CA LEU B 10 12.463 -10.804 29.079 1.00 20.26 C ATOM 991 C LEU B 10 13.437 -11.459 28.109 1.00 21.62 C ATOM 992 O LEU B 10 13.284 -12.633 27.762 1.00 20.98 O ATOM 993 CB LEU B 10 12.685 -11.353 30.491 1.00 26.21 C ATOM 994 CG LEU B 10 11.939 -10.657 31.628 1.00 26.56 C ATOM 995 CD1 LEU B 10 11.989 -11.512 32.893 1.00 32.05 C ATOM 996 CD2 LEU B 10 12.537 -9.267 31.868 1.00 20.75 C ATOM 997 H LEU B 10 10.602 -11.883 29.048 1.00 0.00 H ATOM 998 N VAL B 11 14.439 -10.696 27.673 1.00 15.14 N ATOM 999 CA VAL B 11 15.479 -11.209 26.791 1.00 15.14 C ATOM 1000 C VAL B 11 16.829 -10.809 27.364 1.00 24.93 C ATOM 1001 O VAL B 11 16.935 -9.912 28.201 1.00 18.25 O ATOM 1002 CB VAL B 11 15.339 -10.692 25.342 1.00 18.49 C ATOM 1003 CG1 VAL B 11 14.031 -11.202 24.729 1.00 17.74 C ATOM 1004 CG2 VAL B 11 15.415 -9.165 25.302 1.00 18.62 C ATOM 1005 H VAL B 11 14.480 -9.701 27.972 1.00 0.00 H ATOM 1006 N THR B 12 17.872 -11.483 26.888 1.00 21.15 N ATOM 1007 CA THR B 12 19.236 -11.161 27.282 1.00 15.92 C ATOM 1008 C THR B 12 19.778 -10.051 26.394 1.00 18.02 C ATOM 1009 O THR B 12 19.628 -10.098 25.168 1.00 19.01 O ATOM 1010 CB THR B 12 20.141 -12.393 27.188 1.00 25.78 C ATOM 1011 OG1 THR B 12 19.654 -13.413 28.064 1.00 20.84 O ATOM 1012 CG2 THR B 12 21.578 -12.042 27.582 1.00 25.72 C ATOM 1013 HG1 THR B 12 20.241 -14.208 28.001 1.00 0.00 H ATOM 1014 H THR B 12 17.709 -12.260 26.217 1.00 0.00 H ATOM 1015 N ILE B 13 20.394 -9.047 27.020 1.00 15.89 N ATOM 1016 CA ILE B 13 21.027 -7.949 26.304 1.00 14.10 C ATOM 1017 C ILE B 13 22.488 -7.871 26.724 1.00 21.42 C ATOM 1018 O ILE B 13 22.885 -8.371 27.780 1.00 20.32 O ATOM 1019 CB ILE B 13 20.329 -6.593 26.558 1.00 14.86 C ATOM 1020 CG1 ILE B 13 20.539 -6.157 28.007 1.00 19.56 C ATOM 1021 CG2 ILE B 13 18.860 -6.685 26.236 1.00 15.90 C ATOM 1022 CD1 ILE B 13 19.994 -4.785 28.325 1.00 17.76 C ATOM 1023 H ILE B 13 20.423 -9.049 28.060 1.00 0.00 H ATOM 1024 N LYS B 14 23.284 -7.205 25.888 1.00 20.97 N ATOM 1025 CA LYS B 14 24.690 -6.936 26.175 1.00 21.08 C ATOM 1026 C LYS B 14 24.927 -5.442 26.016 1.00 19.95 C ATOM 1027 O LYS B 14 24.669 -4.885 24.942 1.00 18.36 O ATOM 1028 CB LYS B 14 25.613 -7.734 25.246 1.00 25.65 C ATOM 1029 H LYS B 14 22.886 -6.861 24.991 1.00 0.00 H ATOM 1030 N ILE B 15 25.410 -4.803 27.084 1.00 20.14 N ATOM 1031 CA ILE B 15 25.661 -3.364 27.103 1.00 23.01 C ATOM 1032 C ILE B 15 26.811 -3.061 28.061 1.00 31.51 C ATOM 1033 O ILE B 15 26.882 -3.606 29.167 1.00 27.43 O ATOM 1034 CB ILE B 15 24.411 -2.564 27.529 1.00 29.22 C ATOM 1035 CG1 ILE B 15 24.736 -1.066 27.565 1.00 28.83 C ATOM 1036 CG2 ILE B 15 23.937 -3.036 28.895 1.00 26.00 C ATOM 1037 CD1 ILE B 15 23.566 -0.189 27.922 1.00 40.71 C ATOM 1038 H ILE B 15 25.617 -5.355 27.941 1.00 0.00 H ATOM 1039 N GLY B 16 27.682 -2.143 27.654 1.00 32.87 N ATOM 1040 CA GLY B 16 28.802 -1.730 28.479 1.00 32.35 C ATOM 1041 C GLY B 16 29.675 -2.885 28.926 1.00 31.47 C ATOM 1042 O GLY B 16 30.297 -2.826 29.993 1.00 33.39 O ATOM 1043 H GLY B 16 27.557 -1.708 26.717 1.00 0.00 H ATOM 1044 N GLY B 17 29.725 -3.937 28.112 1.00 32.63 N ATOM 1045 CA GLY B 17 30.472 -5.125 28.460 1.00 30.60 C ATOM 1046 C GLY B 17 29.809 -6.029 29.476 1.00 39.11 C ATOM 1047 O GLY B 17 30.500 -6.835 30.109 1.00 33.78 O ATOM 1048 H GLY B 17 29.216 -3.904 27.206 1.00 0.00 H ATOM 1049 N GLN B 18 28.490 -5.929 29.656 1.00 29.55 N ATOM 1050 CA GLN B 18 27.782 -6.736 30.641 1.00 25.21 C ATOM 1051 C GLN B 18 26.539 -7.359 30.017 1.00 28.57 C ATOM 1052 O GLN B 18 25.883 -6.761 29.163 1.00 19.42 O ATOM 1053 CB GLN B 18 27.377 -5.897 31.866 1.00 36.30 C ATOM 1054 CG GLN B 18 28.548 -5.413 32.714 1.00 37.43 C ATOM 1055 CD GLN B 18 28.139 -5.063 34.132 1.00 52.41 C ATOM 1056 OE1 GLN B 18 27.135 -4.384 34.350 1.00 52.70 O ATOM 1057 NE2 GLN B 18 28.918 -5.525 35.106 1.00 56.80 N ATOM 1058 HE22 GLN B 18 29.757 -6.095 34.875 1.00 0.00 H ATOM 1059 HE21 GLN B 18 28.688 -5.316 36.099 1.00 0.00 H ATOM 1060 H GLN B 18 27.952 -5.255 29.076 1.00 0.00 H ATOM 1061 N LEU B 19 26.223 -8.575 30.462 1.00 22.39 N ATOM 1062 CA LEU B 19 25.008 -9.271 30.056 1.00 25.94 C ATOM 1063 C LEU B 19 23.936 -9.064 31.118 1.00 21.89 C ATOM 1064 O LEU B 19 24.205 -9.222 32.315 1.00 19.70 O ATOM 1065 CB LEU B 19 25.266 -10.763 29.863 1.00 27.29 C ATOM 1066 CG LEU B 19 26.109 -11.178 28.660 1.00 26.78 C ATOM 1067 CD1 LEU B 19 26.022 -12.695 28.486 1.00 29.13 C ATOM 1068 CD2 LEU B 19 25.682 -10.474 27.396 1.00 26.60 C ATOM 1069 H LEU B 19 26.870 -9.047 31.126 1.00 0.00 H ATOM 1070 N LYS B 20 22.728 -8.723 30.678 1.00 22.15 N ATOM 1071 CA LYS B 20 21.625 -8.435 31.580 1.00 21.32 C ATOM 1072 C LYS B 20 20.336 -8.984 30.985 1.00 18.33 C ATOM 1073 O LYS B 20 20.272 -9.334 29.805 1.00 16.67 O ATOM 1074 CB LYS B 20 21.479 -6.926 31.828 1.00 25.06 C ATOM 1075 CG LYS B 20 22.745 -6.242 32.304 1.00 26.20 C ATOM 1076 CD LYS B 20 22.635 -4.731 32.193 1.00 17.18 C ATOM 1077 CE LYS B 20 23.807 -4.043 32.863 1.00 20.07 C ATOM 1078 NZ LYS B 20 23.596 -3.878 34.333 1.00 21.96 N ATOM 1079 HZ1 LYS B 20 22.745 -3.303 34.497 1.00 0.00 H ATOM 1080 HZ2 LYS B 20 23.474 -4.813 34.772 1.00 0.00 H ATOM 1081 HZ3 LYS B 20 24.422 -3.403 34.749 1.00 0.00 H ATOM 1082 H LYS B 20 22.567 -8.660 29.652 1.00 0.00 H ATOM 1083 N GLU B 21 19.312 -9.079 31.825 1.00 17.28 N ATOM 1084 CA GLU B 21 17.976 -9.460 31.386 1.00 22.15 C ATOM 1085 C GLU B 21 17.120 -8.202 31.316 1.00 18.87 C ATOM 1086 O GLU B 21 17.132 -7.386 32.248 1.00 16.99 O ATOM 1087 CB GLU B 21 17.367 -10.493 32.335 1.00 21.93 C ATOM 1088 CG GLU B 21 16.607 -11.615 31.646 1.00 41.42 C ATOM 1089 CD GLU B 21 17.484 -12.522 30.796 1.00 23.05 C ATOM 1090 OE1 GLU B 21 16.922 -13.210 29.923 1.00 32.92 O ATOM 1091 OE2 GLU B 21 18.721 -12.550 30.989 1.00 35.23 O ATOM 1092 H GLU B 21 19.469 -8.874 32.832 1.00 0.00 H ATOM 1093 N ALA B 22 16.395 -8.036 30.206 1.00 15.11 N ATOM 1094 CA ALA B 22 15.633 -6.818 29.992 1.00 15.26 C ATOM 1095 C ALA B 22 14.313 -7.110 29.298 1.00 15.26 C ATOM 1096 O ALA B 22 14.185 -8.066 28.530 1.00 14.38 O ATOM 1097 CB ALA B 22 16.407 -5.780 29.159 1.00 14.31 C ATOM 1098 H ALA B 22 16.376 -8.787 29.487 1.00 0.00 H ATOM 1099 N LEU B 23 13.353 -6.242 29.562 1.00 11.95 N ATOM 1100 CA LEU B 23 11.986 -6.345 29.071 1.00 16.72 C ATOM 1101 C LEU B 23 11.863 -5.675 27.708 1.00 14.25 C ATOM 1102 O LEU B 23 12.220 -4.503 27.552 1.00 19.28 O ATOM 1103 CB LEU B 23 11.065 -5.662 30.091 1.00 15.08 C ATOM 1104 CG LEU B 23 9.653 -6.104 30.438 1.00 26.79 C ATOM 1105 CD1 LEU B 23 9.628 -7.534 30.862 1.00 22.57 C ATOM 1106 CD2 LEU B 23 9.124 -5.175 31.549 1.00 23.72 C ATOM 1107 H LEU B 23 13.590 -5.427 30.163 1.00 0.00 H ATOM 1108 N LEU B 24 11.348 -6.415 26.723 1.00 14.56 N ATOM 1109 CA LEU B 24 10.968 -5.831 25.438 1.00 12.04 C ATOM 1110 C LEU B 24 9.636 -5.106 25.627 1.00 15.52 C ATOM 1111 O LEU B 24 8.580 -5.740 25.691 1.00 15.21 O ATOM 1112 CB LEU B 24 10.844 -6.907 24.367 1.00 13.08 C ATOM 1113 CG LEU B 24 12.108 -7.658 23.939 1.00 14.73 C ATOM 1114 CD1 LEU B 24 11.757 -8.697 22.887 1.00 21.44 C ATOM 1115 CD2 LEU B 24 13.132 -6.693 23.413 1.00 15.63 C ATOM 1116 H LEU B 24 11.214 -7.435 26.874 1.00 0.00 H ATOM 1117 N ASP B 25 9.670 -3.775 25.696 1.00 11.53 N ATOM 1118 CA ASP B 25 8.534 -3.006 26.198 1.00 11.85 C ATOM 1119 C ASP B 25 8.015 -1.994 25.180 1.00 17.62 C ATOM 1120 O ASP B 25 8.557 -0.889 25.059 1.00 13.53 O ATOM 1121 CB ASP B 25 8.924 -2.300 27.499 1.00 10.72 C ATOM 1122 CG ASP B 25 7.744 -1.642 28.170 1.00 13.83 C ATOM 1123 OD1 ASP B 25 6.638 -1.682 27.577 1.00 12.38 O ATOM 1124 OD2 ASP B 25 7.912 -1.108 29.279 1.00 12.81 O ATOM 1125 H ASP B 25 10.526 -3.272 25.385 1.00 0.00 H ATOM 1126 N THR B 26 6.929 -2.361 24.482 1.00 11.26 N ATOM 1127 CA THR B 26 6.329 -1.491 23.482 1.00 13.65 C ATOM 1128 C THR B 26 5.692 -0.249 24.093 1.00 14.60 C ATOM 1129 O THR B 26 5.378 0.699 23.365 1.00 16.52 O ATOM 1130 CB THR B 26 5.256 -2.244 22.676 1.00 16.75 C ATOM 1131 OG1 THR B 26 4.212 -2.698 23.551 1.00 14.69 O ATOM 1132 CG2 THR B 26 5.862 -3.439 21.956 1.00 14.34 C ATOM 1133 HG1 THR B 26 3.796 -1.919 23.999 1.00 0.00 H ATOM 1134 H THR B 26 6.504 -3.293 24.661 1.00 0.00 H ATOM 1135 N GLY B 27 5.475 -0.238 25.402 1.00 14.30 N ATOM 1136 CA GLY B 27 4.950 0.932 26.067 1.00 14.20 C ATOM 1137 C GLY B 27 5.991 1.936 26.506 1.00 10.05 C ATOM 1138 O GLY B 27 5.640 2.971 27.071 1.00 14.17 O ATOM 1139 H GLY B 27 5.687 -1.089 25.961 1.00 0.00 H ATOM 1140 N ALA B 28 7.269 1.653 26.287 1.00 10.98 N ATOM 1141 CA ALA B 28 8.354 2.533 26.693 1.00 12.89 C ATOM 1142 C ALA B 28 8.892 3.261 25.464 1.00 13.55 C ATOM 1143 O ALA B 28 9.351 2.625 24.514 1.00 12.31 O ATOM 1144 CB ALA B 28 9.459 1.724 27.379 1.00 12.18 C ATOM 1145 H ALA B 28 7.505 0.763 25.804 1.00 0.00 H ATOM 1146 N ASP B 29 8.811 4.592 25.465 1.00 15.39 N ATOM 1147 CA ASP B 29 9.382 5.349 24.351 1.00 15.25 C ATOM 1148 C ASP B 29 10.877 5.072 24.216 1.00 18.18 C ATOM 1149 O ASP B 29 11.397 4.874 23.106 1.00 14.90 O ATOM 1150 CB ASP B 29 9.154 6.850 24.546 1.00 20.86 C ATOM 1151 CG ASP B 29 7.693 7.246 24.467 1.00 21.54 C ATOM 1152 OD1 ASP B 29 6.871 6.459 23.957 1.00 17.90 O ATOM 1153 OD2 ASP B 29 7.367 8.367 24.917 1.00 23.68 O ATOM 1154 H ASP B 29 8.345 5.088 26.252 1.00 0.00 H ATOM 1155 N ASP B 30 11.583 5.048 25.344 1.00 15.28 N ATOM 1156 CA ASP B 30 13.030 4.967 25.367 1.00 14.41 C ATOM 1157 C ASP B 30 13.488 3.934 26.377 1.00 17.78 C ATOM 1158 O ASP B 30 12.897 3.793 27.452 1.00 16.54 O ATOM 1159 CB ASP B 30 13.651 6.319 25.721 1.00 18.85 C ATOM 1160 CG ASP B 30 13.595 7.293 24.570 1.00 29.22 C ATOM 1161 OD1 ASP B 30 14.229 7.009 23.531 1.00 22.23 O ATOM 1162 OD2 ASP B 30 12.902 8.320 24.703 1.00 26.76 O ATOM 1163 H ASP B 30 11.073 5.089 26.250 1.00 0.00 H ATOM 1164 N THR B 31 14.554 3.231 26.011 1.00 13.70 N ATOM 1165 CA THR B 31 15.210 2.266 26.875 1.00 12.05 C ATOM 1166 C THR B 31 15.661 2.915 28.175 1.00 14.22 C ATOM 1167 O THR B 31 16.228 4.011 28.179 1.00 13.96 O ATOM 1168 CB THR B 31 16.414 1.679 26.122 1.00 13.03 C ATOM 1169 OG1 THR B 31 15.972 1.001 24.937 1.00 16.58 O ATOM 1170 CG2 THR B 31 17.217 0.724 26.985 1.00 13.60 C ATOM 1171 HG1 THR B 31 15.501 1.642 24.348 1.00 0.00 H ATOM 1172 H THR B 31 14.939 3.380 25.056 1.00 0.00 H ATOM 1173 N VAL B 32 15.419 2.218 29.282 1.00 10.38 N ATOM 1174 CA VAL B 32 15.886 2.639 30.599 1.00 11.60 C ATOM 1175 C VAL B 32 16.391 1.415 31.346 1.00 17.30 C ATOM 1176 O VAL B 32 15.679 0.414 31.473 1.00 17.88 O ATOM 1177 CB VAL B 32 14.791 3.373 31.401 1.00 14.70 C ATOM 1178 CG1 VAL B 32 13.543 2.524 31.566 1.00 17.86 C ATOM 1179 CG2 VAL B 32 15.326 3.807 32.755 1.00 15.91 C ATOM 1180 H VAL B 32 14.874 1.336 29.206 1.00 0.00 H ATOM 1181 N LEU B 33 17.629 1.484 31.823 1.00 13.48 N ATOM 1182 CA LEU B 33 18.257 0.360 32.491 1.00 12.94 C ATOM 1183 C LEU B 33 18.452 0.674 33.969 1.00 17.20 C ATOM 1184 O LEU B 33 18.569 1.839 34.365 1.00 18.15 O ATOM 1185 CB LEU B 33 19.595 0.025 31.840 1.00 17.94 C ATOM 1186 CG LEU B 33 19.580 -0.331 30.346 1.00 15.53 C ATOM 1187 CD1 LEU B 33 20.991 -0.653 29.891 1.00 22.39 C ATOM 1188 CD2 LEU B 33 18.646 -1.493 30.072 1.00 17.13 C ATOM 1189 H LEU B 33 18.163 2.370 31.714 1.00 0.00 H ATOM 1190 N GLU B 34 18.473 -0.382 34.781 1.00 16.91 N ATOM 1191 CA GLU B 34 18.769 -0.249 36.197 1.00 14.16 C ATOM 1192 C GLU B 34 20.150 0.377 36.400 1.00 16.06 C ATOM 1193 O GLU B 34 21.029 0.309 35.539 1.00 14.25 O ATOM 1194 CB GLU B 34 18.717 -1.611 36.894 1.00 16.95 C ATOM 1195 CG GLU B 34 17.359 -2.323 36.811 1.00 18.80 C ATOM 1196 CD GLU B 34 17.428 -3.771 37.281 1.00 30.34 C ATOM 1197 OE1 GLU B 34 16.547 -4.575 36.897 1.00 26.26 O ATOM 1198 OE2 GLU B 34 18.368 -4.106 38.030 1.00 32.99 O ATOM 1199 H GLU B 34 18.272 -1.325 34.391 1.00 0.00 H ATOM 1200 N GLU B 35 20.329 0.986 37.570 1.00 16.98 N ATOM 1201 CA GLU B 35 21.529 1.761 37.868 1.00 21.34 C ATOM 1202 C GLU B 35 22.792 0.992 37.497 1.00 21.91 C ATOM 1203 O GLU B 35 22.963 -0.165 37.881 1.00 20.97 O ATOM 1204 CB GLU B 35 21.538 2.116 39.358 1.00 23.62 C ATOM 1205 CG GLU B 35 22.696 2.992 39.782 1.00 35.40 C ATOM 1206 CD GLU B 35 22.823 4.225 38.920 1.00 42.14 C ATOM 1207 OE1 GLU B 35 21.805 4.930 38.745 1.00 26.78 O ATOM 1208 OE2 GLU B 35 23.936 4.476 38.410 1.00 35.87 O ATOM 1209 H GLU B 35 19.589 0.907 38.296 1.00 0.00 H ATOM 1210 N MET B 36 23.668 1.644 36.738 1.00 18.77 N ATOM 1211 CA MET B 36 24.945 1.062 36.352 1.00 27.56 C ATOM 1212 C MET B 36 25.917 2.193 36.059 1.00 22.44 C ATOM 1213 O MET B 36 25.511 3.315 35.749 1.00 21.98 O ATOM 1214 CB MET B 36 24.799 0.145 35.132 1.00 28.38 C ATOM 1215 CG MET B 36 24.384 0.868 33.864 1.00 27.22 C ATOM 1216 SD MET B 36 24.205 -0.241 32.450 1.00 27.12 S ATOM 1217 CE MET B 36 25.809 -1.048 32.412 1.00 33.09 C ATOM 1218 H MET B 36 23.433 2.602 36.409 1.00 0.00 H ATOM 1219 N ASN B 37 27.212 1.873 36.138 1.00 27.41 N ATOM 1220 CA ASN B 37 28.274 2.873 36.031 1.00 35.91 C ATOM 1221 C ASN B 37 28.781 2.940 34.592 1.00 31.07 C ATOM 1222 O ASN B 37 29.843 2.415 34.253 1.00 42.22 O ATOM 1223 CB ASN B 37 29.420 2.549 36.997 1.00 34.18 C ATOM 1224 CG ASN B 37 28.936 2.059 38.344 1.00 52.70 C ATOM 1225 OD1 ASN B 37 27.851 2.422 38.796 1.00 73.33 O ATOM 1226 ND2 ASN B 37 29.743 1.230 38.998 1.00 70.40 N ATOM 1227 HD22 ASN B 37 30.652 0.949 38.578 1.00 0.00 H ATOM 1228 HD21 ASN B 37 29.466 0.862 39.930 1.00 0.00 H ATOM 1229 H ASN B 37 27.474 0.877 36.281 1.00 0.00 H ATOM 1230 N LEU B 38 28.013 3.629 33.733 1.00 37.40 N ATOM 1231 CA LEU B 38 28.447 3.817 32.351 1.00 27.81 C ATOM 1232 C LEU B 38 29.422 4.992 32.257 1.00 41.07 C ATOM 1233 O LEU B 38 29.246 6.002 32.942 1.00 35.15 O ATOM 1234 CB LEU B 38 27.256 4.085 31.438 1.00 30.73 C ATOM 1235 CG LEU B 38 26.472 2.912 30.857 1.00 39.70 C ATOM 1236 CD1 LEU B 38 25.350 3.466 29.978 1.00 30.31 C ATOM 1237 CD2 LEU B 38 27.350 1.967 30.061 1.00 37.85 C ATOM 1238 H LEU B 38 27.108 4.029 34.052 1.00 0.00 H ATOM 1239 N PRO B 39 30.449 4.898 31.417 1.00 36.60 N ATOM 1240 CA PRO B 39 31.302 6.061 31.160 1.00 37.24 C ATOM 1241 C PRO B 39 30.670 6.984 30.124 1.00 25.97 C ATOM 1242 O PRO B 39 29.728 6.634 29.415 1.00 27.84 O ATOM 1243 CB PRO B 39 32.601 5.446 30.635 1.00 44.75 C ATOM 1244 CG PRO B 39 32.162 4.189 29.967 1.00 41.72 C ATOM 1245 CD PRO B 39 30.962 3.682 30.753 1.00 49.16 C ATOM 1246 N GLY B 40 31.216 8.184 30.054 1.00 32.87 N ATOM 1247 CA GLY B 40 30.836 9.133 29.031 1.00 32.72 C ATOM 1248 C GLY B 40 29.929 10.222 29.566 1.00 34.41 C ATOM 1249 O GLY B 40 29.517 10.231 30.731 1.00 26.28 O ATOM 1250 H GLY B 40 31.938 8.454 30.752 1.00 0.00 H ATOM 1251 N ARG B 41 29.636 11.150 28.654 1.00 27.54 N ATOM 1252 CA ARG B 41 28.754 12.278 28.908 1.00 31.99 C ATOM 1253 C ARG B 41 27.314 11.803 29.075 1.00 25.93 C ATOM 1254 O ARG B 41 26.923 10.751 28.570 1.00 24.87 O ATOM 1255 CB ARG B 41 28.849 13.270 27.743 1.00 23.12 C ATOM 1256 H ARG B 41 30.062 11.062 27.709 1.00 0.00 H ATOM 1257 N TRP B 42 26.534 12.604 29.797 1.00 22.87 N ATOM 1258 CA TRP B 42 25.117 12.319 29.970 1.00 18.39 C ATOM 1259 C TRP B 42 24.384 13.616 30.255 1.00 30.27 C ATOM 1260 O TRP B 42 24.996 14.651 30.534 1.00 24.80 O ATOM 1261 CB TRP B 42 24.869 11.296 31.079 1.00 16.05 C ATOM 1262 CG TRP B 42 25.390 11.680 32.434 1.00 23.40 C ATOM 1263 CD1 TRP B 42 26.646 11.458 32.923 1.00 27.13 C ATOM 1264 CD2 TRP B 42 24.663 12.331 33.484 1.00 25.91 C ATOM 1265 NE1 TRP B 42 26.747 11.934 34.202 1.00 30.93 N ATOM 1266 CE2 TRP B 42 25.546 12.481 34.572 1.00 33.64 C ATOM 1267 CE3 TRP B 42 23.355 12.811 33.607 1.00 22.44 C ATOM 1268 CZ2 TRP B 42 25.162 13.080 35.769 1.00 32.62 C ATOM 1269 CZ3 TRP B 42 22.975 13.403 34.793 1.00 23.14 C ATOM 1270 CH2 TRP B 42 23.875 13.534 35.861 1.00 32.42 C ATOM 1271 HE1 TRP B 42 27.598 11.888 34.798 1.00 0.00 H ATOM 1272 H TRP B 42 26.944 13.448 30.245 1.00 0.00 H ATOM 1273 N LYS B 43 23.057 13.550 30.173 1.00 22.85 N ATOM 1274 CA LYS B 43 22.181 14.678 30.436 1.00 20.59 C ATOM 1275 C LYS B 43 21.056 14.236 31.361 1.00 22.45 C ATOM 1276 O LYS B 43 20.543 13.120 31.220 1.00 20.83 O ATOM 1277 CB LYS B 43 21.603 15.221 29.120 1.00 25.90 C ATOM 1278 H LYS B 43 22.625 12.642 29.906 1.00 0.00 H ATOM 1279 N PRO B 44 20.650 15.075 32.315 1.00 20.75 N ATOM 1280 CA PRO B 44 19.535 14.693 33.188 1.00 17.13 C ATOM 1281 C PRO B 44 18.223 14.630 32.423 1.00 16.98 C ATOM 1282 O PRO B 44 17.979 15.391 31.483 1.00 18.82 O ATOM 1283 CB PRO B 44 19.502 15.806 34.246 1.00 22.70 C ATOM 1284 CG PRO B 44 20.798 16.546 34.094 1.00 28.78 C ATOM 1285 CD PRO B 44 21.200 16.397 32.673 1.00 27.59 C ATOM 1286 N LYS B 45 17.373 13.701 32.843 1.00 17.86 N ATOM 1287 CA LYS B 45 16.049 13.566 32.263 1.00 17.37 C ATOM 1288 C LYS B 45 15.096 13.053 33.332 1.00 17.68 C ATOM 1289 O LYS B 45 15.508 12.449 34.322 1.00 17.52 O ATOM 1290 CB LYS B 45 16.050 12.618 31.055 1.00 20.55 C ATOM 1291 CG LYS B 45 14.757 12.646 30.254 1.00 24.60 C ATOM 1292 CD LYS B 45 14.808 11.729 29.043 1.00 25.46 C ATOM 1293 CE LYS B 45 13.655 12.031 28.094 1.00 27.84 C ATOM 1294 NZ LYS B 45 13.552 11.042 27.000 1.00 36.20 N ATOM 1295 HZ1 LYS B 45 14.433 11.045 26.447 1.00 0.00 H ATOM 1296 HZ2 LYS B 45 13.398 10.096 27.403 1.00 0.00 H ATOM 1297 HZ3 LYS B 45 12.753 11.292 26.383 1.00 0.00 H ATOM 1298 H LYS B 45 17.662 13.055 33.605 1.00 0.00 H ATOM 1299 N MET B 46 13.815 13.340 33.136 1.00 14.03 N ATOM 1300 CA MET B 46 12.747 12.822 33.981 1.00 14.25 C ATOM 1301 C MET B 46 11.791 12.037 33.098 1.00 21.73 C ATOM 1302 O MET B 46 11.383 12.525 32.041 1.00 18.24 O ATOM 1303 CB MET B 46 12.005 13.946 34.703 1.00 22.05 C ATOM 1304 CG MET B 46 12.775 14.550 35.862 1.00 22.30 C ATOM 1305 SD MET B 46 12.477 13.657 37.391 1.00 23.49 S ATOM 1306 CE MET B 46 11.118 14.582 38.090 1.00 22.24 C ATOM 1307 H MET B 46 13.562 13.963 32.343 1.00 0.00 H ATOM 1308 N ILE B 47 11.461 10.815 33.508 1.00 16.58 N ATOM 1309 CA ILE B 47 10.513 9.983 32.777 1.00 17.19 C ATOM 1310 C ILE B 47 9.400 9.573 33.725 1.00 16.96 C ATOM 1311 O ILE B 47 9.649 9.272 34.902 1.00 14.92 O ATOM 1312 CB ILE B 47 11.182 8.750 32.139 1.00 23.41 C ATOM 1313 CG1 ILE B 47 11.861 7.875 33.190 1.00 22.38 C ATOM 1314 CG2 ILE B 47 12.178 9.206 31.085 1.00 19.04 C ATOM 1315 CD1 ILE B 47 12.260 6.488 32.667 1.00 21.16 C ATOM 1316 H ILE B 47 11.893 10.442 34.377 1.00 0.00 H ATOM 1317 N GLY B 48 8.175 9.569 33.209 1.00 18.67 N ATOM 1318 CA GLY B 48 6.998 9.347 34.022 1.00 22.47 C ATOM 1319 C GLY B 48 6.208 8.125 33.596 1.00 15.60 C ATOM 1320 O GLY B 48 6.200 7.740 32.424 1.00 13.46 O ATOM 1321 H GLY B 48 8.058 9.731 32.188 1.00 0.00 H ATOM 1322 N GLY B 49 5.541 7.524 34.561 1.00 18.41 N ATOM 1323 CA GLY B 49 4.699 6.372 34.320 1.00 14.35 C ATOM 1324 C GLY B 49 3.744 6.244 35.481 1.00 13.32 C ATOM 1325 O GLY B 49 3.450 7.214 36.182 1.00 16.05 O ATOM 1326 H GLY B 49 5.623 7.891 35.531 1.00 0.00 H ATOM 1327 N ILE B 50 3.281 5.022 35.727 1.00 18.43 N ATOM 1328 CA ILE B 50 2.410 4.804 36.873 1.00 19.47 C ATOM 1329 C ILE B 50 3.195 5.096 38.143 1.00 16.68 C ATOM 1330 O ILE B 50 4.313 4.599 38.336 1.00 20.34 O ATOM 1331 CB ILE B 50 1.842 3.377 36.846 1.00 14.44 C ATOM 1332 CG1 ILE B 50 0.748 3.269 35.770 1.00 13.94 C ATOM 1333 CG2 ILE B 50 1.291 3.005 38.216 1.00 17.83 C ATOM 1334 CD1 ILE B 50 0.318 1.858 35.473 1.00 17.65 C ATOM 1335 H ILE B 50 3.539 4.229 35.106 1.00 0.00 H ATOM 1336 N GLY B 51 2.604 5.908 39.020 1.00 15.19 N ATOM 1337 CA GLY B 51 3.223 6.285 40.267 1.00 12.71 C ATOM 1338 C GLY B 51 3.990 7.585 40.229 1.00 22.22 C ATOM 1339 O GLY B 51 4.308 8.129 41.296 1.00 19.09 O ATOM 1340 H GLY B 51 1.660 6.284 38.796 1.00 0.00 H ATOM 1341 N GLY B 52 4.311 8.114 39.047 1.00 16.52 N ATOM 1342 CA GLY B 52 4.986 9.392 38.933 1.00 19.93 C ATOM 1343 C GLY B 52 6.276 9.257 38.131 1.00 20.51 C ATOM 1344 O GLY B 52 6.383 8.427 37.204 1.00 16.85 O ATOM 1345 H GLY B 52 4.069 7.593 38.180 1.00 0.00 H ATOM 1346 N PHE B 53 7.249 10.090 38.494 1.00 19.23 N ATOM 1347 CA PHE B 53 8.464 10.237 37.700 1.00 17.69 C ATOM 1348 C PHE B 53 9.686 9.744 38.458 1.00 17.45 C ATOM 1349 O PHE B 53 9.710 9.720 39.690 1.00 17.95 O ATOM 1350 CB PHE B 53 8.696 11.704 37.298 1.00 17.22 C ATOM 1351 CG PHE B 53 7.739 12.207 36.256 1.00 17.39 C ATOM 1352 CD1 PHE B 53 6.431 12.491 36.592 1.00 18.17 C ATOM 1353 CD2 PHE B 53 8.144 12.391 34.943 1.00 16.82 C ATOM 1354 CE1 PHE B 53 5.541 12.955 35.638 1.00 16.77 C ATOM 1355 CE2 PHE B 53 7.259 12.840 33.989 1.00 28.01 C ATOM 1356 CZ PHE B 53 5.950 13.130 34.341 1.00 16.55 C ATOM 1357 H PHE B 53 7.140 10.649 39.364 1.00 0.00 H ATOM 1358 N ILE B 54 10.711 9.357 37.697 1.00 14.58 N ATOM 1359 CA ILE B 54 12.038 9.105 38.239 1.00 21.55 C ATOM 1360 C ILE B 54 13.044 9.931 37.453 1.00 20.26 C ATOM 1361 O ILE B 54 12.840 10.238 36.275 1.00 16.69 O ATOM 1362 CB ILE B 54 12.427 7.613 38.205 1.00 13.52 C ATOM 1363 CG1 ILE B 54 12.421 7.061 36.781 1.00 16.54 C ATOM 1364 CG2 ILE B 54 11.514 6.826 39.138 1.00 17.88 C ATOM 1365 CD1 ILE B 54 13.060 5.666 36.692 1.00 18.78 C ATOM 1366 H ILE B 54 10.556 9.230 36.676 1.00 0.00 H ATOM 1367 N LYS B 55 14.140 10.287 38.118 1.00 16.09 N ATOM 1368 CA LYS B 55 15.249 10.976 37.473 1.00 17.86 C ATOM 1369 C LYS B 55 16.221 9.947 36.907 1.00 17.24 C ATOM 1370 O LYS B 55 16.578 8.979 37.588 1.00 18.05 O ATOM 1371 CB LYS B 55 15.964 11.890 38.465 1.00 16.58 C ATOM 1372 CG LYS B 55 15.052 12.849 39.211 1.00 40.72 C ATOM 1373 CD LYS B 55 15.675 13.321 40.522 1.00 48.21 C ATOM 1374 CE LYS B 55 14.636 13.970 41.429 1.00 38.16 C ATOM 1375 NZ LYS B 55 14.580 15.446 41.270 1.00 47.25 N ATOM 1376 HZ1 LYS B 55 15.508 15.854 41.504 1.00 0.00 H ATOM 1377 HZ2 LYS B 55 14.335 15.678 40.286 1.00 0.00 H ATOM 1378 HZ3 LYS B 55 13.858 15.835 41.909 1.00 0.00 H ATOM 1379 H LYS B 55 14.207 10.066 39.132 1.00 0.00 H ATOM 1380 N VAL B 56 16.650 10.160 35.662 1.00 14.93 N ATOM 1381 CA VAL B 56 17.560 9.246 34.992 1.00 14.47 C ATOM 1382 C VAL B 56 18.671 10.036 34.307 1.00 15.06 C ATOM 1383 O VAL B 56 18.593 11.252 34.120 1.00 14.68 O ATOM 1384 CB VAL B 56 16.846 8.347 33.959 1.00 12.14 C ATOM 1385 CG1 VAL B 56 15.717 7.549 34.615 1.00 15.74 C ATOM 1386 CG2 VAL B 56 16.325 9.178 32.800 1.00 15.61 C ATOM 1387 H VAL B 56 16.323 11.007 35.155 1.00 0.00 H ATOM 1388 N ARG B 57 19.711 9.308 33.915 1.00 16.99 N ATOM 1389 CA ARG B 57 20.813 9.867 33.150 1.00 17.11 C ATOM 1390 C ARG B 57 20.666 9.401 31.710 1.00 18.78 C ATOM 1391 O ARG B 57 20.585 8.197 31.451 1.00 17.15 O ATOM 1392 CB ARG B 57 22.160 9.433 33.726 1.00 17.71 C ATOM 1393 CG ARG B 57 22.305 9.690 35.215 1.00 19.40 C ATOM 1394 CD ARG B 57 23.769 9.601 35.671 1.00 25.13 C ATOM 1395 NE ARG B 57 24.352 8.275 35.457 1.00 30.35 N ATOM 1396 CZ ARG B 57 24.052 7.192 36.173 1.00 30.70 C ATOM 1397 NH1 ARG B 57 23.167 7.260 37.156 1.00 31.74 N ATOM 1398 NH2 ARG B 57 24.644 6.037 35.904 1.00 31.31 N ATOM 1399 HE ARG B 57 25.049 8.171 34.692 1.00 0.00 H ATOM 1400 HH12 ARG B 57 22.939 6.410 37.710 1.00 0.00 H ATOM 1401 HH11 ARG B 57 22.700 8.164 37.374 1.00 0.00 H ATOM 1402 HH22 ARG B 57 24.411 5.191 36.462 1.00 0.00 H ATOM 1403 HH21 ARG B 57 25.342 5.977 35.135 1.00 0.00 H ATOM 1404 H ARG B 57 19.738 8.299 34.165 1.00 0.00 H ATOM 1405 N GLN B 58 20.619 10.347 30.782 1.00 17.38 N ATOM 1406 CA GLN B 58 20.455 10.030 29.372 1.00 18.05 C ATOM 1407 C GLN B 58 21.831 9.949 28.726 1.00 23.39 C ATOM 1408 O GLN B 58 22.565 10.944 28.696 1.00 17.39 O ATOM 1409 CB GLN B 58 19.595 11.077 28.668 1.00 14.07 C ATOM 1410 CG GLN B 58 19.563 10.908 27.162 1.00 14.92 C ATOM 1411 CD GLN B 58 18.639 11.883 26.476 1.00 24.25 C ATOM 1412 OE1 GLN B 58 17.671 12.359 27.066 1.00 29.81 O ATOM 1413 NE2 GLN B 58 18.928 12.181 25.217 1.00 32.66 N ATOM 1414 HE22 GLN B 58 19.758 11.753 24.759 1.00 0.00 H ATOM 1415 HE21 GLN B 58 18.325 12.842 24.688 1.00 0.00 H ATOM 1416 H GLN B 58 20.702 11.343 31.070 1.00 0.00 H ATOM 1417 N TYR B 59 22.182 8.764 28.239 1.00 17.53 N ATOM 1418 CA TYR B 59 23.384 8.542 27.447 1.00 21.81 C ATOM 1419 C TYR B 59 22.985 8.364 25.988 1.00 27.96 C ATOM 1420 O TYR B 59 22.018 7.655 25.682 1.00 23.12 O ATOM 1421 CB TYR B 59 24.142 7.298 27.928 1.00 17.47 C ATOM 1422 CG TYR B 59 24.687 7.383 29.328 1.00 17.50 C ATOM 1423 CD1 TYR B 59 23.890 7.104 30.421 1.00 16.27 C ATOM 1424 CD2 TYR B 59 26.018 7.731 29.557 1.00 25.42 C ATOM 1425 CE1 TYR B 59 24.385 7.172 31.703 1.00 14.00 C ATOM 1426 CE2 TYR B 59 26.520 7.810 30.833 1.00 23.07 C ATOM 1427 CZ TYR B 59 25.697 7.523 31.905 1.00 24.68 C ATOM 1428 OH TYR B 59 26.177 7.582 33.184 1.00 26.76 O ATOM 1429 HH TYR B 59 26.926 6.942 33.284 1.00 0.00 H ATOM 1430 H TYR B 59 21.565 7.950 28.434 1.00 0.00 H ATOM 1431 N ASP B 60 23.727 8.995 25.088 1.00 21.35 N ATOM 1432 CA ASP B 60 23.432 8.919 23.664 1.00 26.38 C ATOM 1433 C ASP B 60 24.415 7.997 22.945 1.00 22.64 C ATOM 1434 O ASP B 60 25.557 7.810 23.371 1.00 25.07 O ATOM 1435 CB ASP B 60 23.463 10.313 23.031 1.00 36.71 C ATOM 1436 CG ASP B 60 22.403 11.244 23.609 1.00 42.05 C ATOM 1437 OD1 ASP B 60 21.374 10.746 24.120 1.00 30.35 O ATOM 1438 OD2 ASP B 60 22.600 12.477 23.542 1.00 31.54 O ATOM 1439 H ASP B 60 24.541 9.559 25.407 1.00 0.00 H ATOM 1440 N GLN B 61 23.941 7.407 21.852 1.00 20.08 N ATOM 1441 CA GLN B 61 24.764 6.575 20.977 1.00 22.96 C ATOM 1442 C GLN B 61 25.474 5.477 21.759 1.00 21.39 C ATOM 1443 O GLN B 61 26.694 5.311 21.697 1.00 26.93 O ATOM 1444 CB GLN B 61 25.762 7.437 20.206 1.00 26.41 C ATOM 1445 CG GLN B 61 25.101 8.308 19.171 1.00 24.80 C ATOM 1446 CD GLN B 61 24.652 7.525 17.962 1.00 47.11 C ATOM 1447 OE1 GLN B 61 25.471 7.091 17.151 1.00 51.59 O ATOM 1448 NE2 GLN B 61 23.344 7.332 17.835 1.00 39.14 N ATOM 1449 HE22 GLN B 61 22.690 7.718 18.546 1.00 0.00 H ATOM 1450 HE21 GLN B 61 22.974 6.795 17.025 1.00 0.00 H ATOM 1451 H GLN B 61 22.939 7.544 21.609 1.00 0.00 H ATOM 1452 N ILE B 62 24.688 4.709 22.500 1.00 21.53 N ATOM 1453 CA ILE B 62 25.189 3.587 23.279 1.00 18.26 C ATOM 1454 C ILE B 62 24.886 2.298 22.526 1.00 27.01 C ATOM 1455 O ILE B 62 23.752 2.083 22.085 1.00 23.59 O ATOM 1456 CB ILE B 62 24.555 3.566 24.681 1.00 22.50 C ATOM 1457 CG1 ILE B 62 24.861 4.874 25.420 1.00 21.93 C ATOM 1458 CG2 ILE B 62 25.038 2.356 25.443 1.00 24.19 C ATOM 1459 CD1 ILE B 62 26.335 5.128 25.686 1.00 31.31 C ATOM 1460 H ILE B 62 23.669 4.917 22.526 1.00 0.00 H ATOM 1461 N LEU B 63 25.885 1.429 22.408 1.00 29.22 N ATOM 1462 CA LEU B 63 25.710 0.145 21.737 1.00 28.44 C ATOM 1463 C LEU B 63 25.093 -0.882 22.680 1.00 19.24 C ATOM 1464 O LEU B 63 25.605 -1.122 23.775 1.00 23.85 O ATOM 1465 CB LEU B 63 27.057 -0.364 21.222 1.00 28.52 C ATOM 1466 CG LEU B 63 27.103 -1.795 20.676 1.00 47.68 C ATOM 1467 CD1 LEU B 63 26.261 -1.968 19.417 1.00 28.87 C ATOM 1468 CD2 LEU B 63 28.555 -2.191 20.404 1.00 56.96 C ATOM 1469 H LEU B 63 26.816 1.671 22.804 1.00 0.00 H ATOM 1470 N ILE B 64 23.996 -1.488 22.248 1.00 23.79 N ATOM 1471 CA ILE B 64 23.376 -2.607 22.947 1.00 22.50 C ATOM 1472 C ILE B 64 23.148 -3.717 21.930 1.00 34.98 C ATOM 1473 O ILE B 64 22.727 -3.459 20.797 1.00 31.70 O ATOM 1474 CB ILE B 64 22.037 -2.227 23.609 1.00 29.25 C ATOM 1475 CG1 ILE B 64 22.217 -1.096 24.616 1.00 32.64 C ATOM 1476 CG2 ILE B 64 21.411 -3.432 24.322 1.00 27.22 C ATOM 1477 CD1 ILE B 64 20.975 -0.844 25.474 1.00 28.25 C ATOM 1478 H ILE B 64 23.557 -1.149 21.368 1.00 0.00 H ATOM 1479 N GLU B 65 23.412 -4.948 22.339 1.00 20.37 N ATOM 1480 CA GLU B 65 23.054 -6.122 21.565 1.00 18.88 C ATOM 1481 C GLU B 65 21.875 -6.800 22.242 1.00 19.15 C ATOM 1482 O GLU B 65 21.939 -7.107 23.436 1.00 20.13 O ATOM 1483 CB GLU B 65 24.235 -7.077 21.463 1.00 25.08 C ATOM 1484 CG GLU B 65 24.032 -8.210 20.506 1.00 23.29 C ATOM 1485 CD GLU B 65 25.296 -9.040 20.366 1.00 32.56 C ATOM 1486 OE1 GLU B 65 25.298 -10.201 20.815 1.00 29.40 O ATOM 1487 OE2 GLU B 65 26.286 -8.509 19.820 1.00 27.71 O ATOM 1488 H GLU B 65 23.895 -5.079 23.251 1.00 0.00 H ATOM 1489 N ILE B 66 20.807 -7.024 21.480 1.00 21.39 N ATOM 1490 CA ILE B 66 19.552 -7.565 21.999 1.00 20.64 C ATOM 1491 C ILE B 66 19.288 -8.882 21.280 1.00 25.68 C ATOM 1492 O ILE B 66 18.978 -8.895 20.079 1.00 23.44 O ATOM 1493 CB ILE B 66 18.384 -6.586 21.806 1.00 24.32 C ATOM 1494 CG1 ILE B 66 18.663 -5.270 22.526 1.00 26.80 C ATOM 1495 CG2 ILE B 66 17.087 -7.200 22.304 1.00 27.69 C ATOM 1496 CD1 ILE B 66 18.046 -4.058 21.841 1.00 23.21 C ATOM 1497 H ILE B 66 20.868 -6.803 20.466 1.00 0.00 H ATOM 1498 N CYS B 67 19.405 -9.985 22.009 1.00 34.33 N ATOM 1499 CA CYS B 67 19.266 -11.329 21.451 1.00 22.25 C ATOM 1500 C CYS B 67 19.990 -11.442 20.112 1.00 29.13 C ATOM 1501 O CYS B 67 19.415 -11.804 19.087 1.00 32.09 O ATOM 1502 CB CYS B 67 17.793 -11.706 21.300 1.00 38.15 C ATOM 1503 SG CYS B 67 17.033 -12.338 22.783 1.00 62.71 S ATOM 1504 H CYS B 67 19.605 -9.889 23.025 1.00 0.00 H ATOM 1505 N GLY B 68 21.276 -11.105 20.137 1.00 28.86 N ATOM 1506 CA GLY B 68 22.120 -11.225 18.967 1.00 34.84 C ATOM 1507 C GLY B 68 21.965 -10.140 17.925 1.00 31.00 C ATOM 1508 O GLY B 68 22.696 -10.162 16.927 1.00 29.57 O ATOM 1509 H GLY B 68 21.687 -10.745 21.022 1.00 0.00 H ATOM 1510 N HIS B 69 21.051 -9.194 18.121 1.00 21.64 N ATOM 1511 CA HIS B 69 20.828 -8.100 17.185 1.00 21.57 C ATOM 1512 C HIS B 69 21.455 -6.829 17.751 1.00 28.48 C ATOM 1513 O HIS B 69 21.133 -6.418 18.871 1.00 27.60 O ATOM 1514 CB HIS B 69 19.335 -7.888 16.937 1.00 25.21 C ATOM 1515 CG HIS B 69 18.697 -8.946 16.090 1.00 34.12 C ATOM 1516 ND1 HIS B 69 18.417 -10.213 16.559 1.00 29.00 N ATOM 1517 CD2 HIS B 69 18.268 -8.917 14.807 1.00 21.37 C ATOM 1518 CE1 HIS B 69 17.846 -10.917 15.598 1.00 29.93 C ATOM 1519 NE2 HIS B 69 17.750 -10.156 14.523 1.00 39.91 N ATOM 1520 H HIS B 69 20.469 -9.237 18.982 1.00 0.00 H ATOM 1521 N LYS B 70 22.337 -6.207 16.981 1.00 22.05 N ATOM 1522 CA LYS B 70 23.014 -5.007 17.448 1.00 21.30 C ATOM 1523 C LYS B 70 22.112 -3.793 17.292 1.00 19.03 C ATOM 1524 O LYS B 70 21.286 -3.715 16.380 1.00 20.32 O ATOM 1525 CB LYS B 70 24.326 -4.798 16.687 1.00 24.10 C ATOM 1526 CG LYS B 70 25.394 -5.839 17.049 1.00 35.03 C ATOM 1527 CD LYS B 70 26.713 -5.591 16.326 1.00 30.99 C ATOM 1528 CE LYS B 70 27.625 -6.810 16.399 1.00 32.99 C ATOM 1529 NZ LYS B 70 28.312 -6.926 17.713 1.00 43.52 N ATOM 1530 HZ1 LYS B 70 28.893 -6.079 17.875 1.00 0.00 H ATOM 1531 HZ2 LYS B 70 27.602 -7.010 18.468 1.00 0.00 H ATOM 1532 HZ3 LYS B 70 28.920 -7.770 17.712 1.00 0.00 H ATOM 1533 H LYS B 70 22.547 -6.581 16.033 1.00 0.00 H ATOM 1534 N ALA B 71 22.283 -2.833 18.197 1.00 22.31 N ATOM 1535 CA ALA B 71 21.547 -1.578 18.128 1.00 23.37 C ATOM 1536 C ALA B 71 22.386 -0.497 18.793 1.00 24.72 C ATOM 1537 O ALA B 71 23.262 -0.783 19.613 1.00 35.91 O ATOM 1538 CB ALA B 71 20.170 -1.688 18.795 1.00 26.01 C ATOM 1539 H ALA B 71 22.959 -2.982 18.973 1.00 0.00 H ATOM 1540 N ILE B 72 22.122 0.753 18.420 1.00 24.49 N ATOM 1541 CA ILE B 72 22.854 1.878 18.992 1.00 20.76 C ATOM 1542 C ILE B 72 21.903 3.057 19.112 1.00 17.26 C ATOM 1543 O ILE B 72 21.276 3.478 18.132 1.00 18.30 O ATOM 1544 CB ILE B 72 24.095 2.231 18.150 1.00 25.39 C ATOM 1545 CG1 ILE B 72 24.834 3.429 18.761 1.00 33.07 C ATOM 1546 CG2 ILE B 72 23.708 2.538 16.712 1.00 29.10 C ATOM 1547 CD1 ILE B 72 26.320 3.474 18.422 1.00 38.29 C ATOM 1548 H ILE B 72 21.383 0.930 17.710 1.00 0.00 H ATOM 1549 N GLY B 73 21.771 3.598 20.314 1.00 21.34 N ATOM 1550 CA GLY B 73 20.865 4.705 20.509 1.00 20.55 C ATOM 1551 C GLY B 73 20.836 5.163 21.948 1.00 15.24 C ATOM 1552 O GLY B 73 21.740 4.873 22.737 1.00 18.77 O ATOM 1553 H GLY B 73 22.319 3.226 21.116 1.00 0.00 H ATOM 1554 N THR B 74 19.773 5.883 22.276 1.00 15.47 N ATOM 1555 CA THR B 74 19.649 6.470 23.598 1.00 21.80 C ATOM 1556 C THR B 74 19.389 5.388 24.629 1.00 18.56 C ATOM 1557 O THR B 74 18.534 4.518 24.434 1.00 18.13 O ATOM 1558 CB THR B 74 18.522 7.502 23.611 1.00 26.12 C ATOM 1559 OG1 THR B 74 18.859 8.563 22.708 1.00 28.22 O ATOM 1560 CG2 THR B 74 18.326 8.059 25.015 1.00 23.11 C ATOM 1561 HG1 THR B 74 18.135 9.238 22.709 1.00 0.00 H ATOM 1562 H THR B 74 19.017 6.030 21.577 1.00 0.00 H ATOM 1563 N VAL B 75 20.150 5.431 25.716 1.00 14.94 N ATOM 1564 CA VAL B 75 19.958 4.553 26.859 1.00 11.63 C ATOM 1565 C VAL B 75 19.879 5.436 28.092 1.00 16.69 C ATOM 1566 O VAL B 75 20.827 6.175 28.387 1.00 17.83 O ATOM 1567 CB VAL B 75 21.095 3.525 27.000 1.00 18.74 C ATOM 1568 CG1 VAL B 75 20.923 2.709 28.272 1.00 19.11 C ATOM 1569 CG2 VAL B 75 21.137 2.631 25.780 1.00 23.86 C ATOM 1570 H VAL B 75 20.922 6.127 25.752 1.00 0.00 H ATOM 1571 N LEU B 76 18.751 5.378 28.795 1.00 16.03 N ATOM 1572 CA LEU B 76 18.585 6.054 30.073 1.00 15.80 C ATOM 1573 C LEU B 76 18.980 5.104 31.192 1.00 19.81 C ATOM 1574 O LEU B 76 18.797 3.889 31.089 1.00 18.03 O ATOM 1575 CB LEU B 76 17.142 6.523 30.265 1.00 13.57 C ATOM 1576 CG LEU B 76 16.512 7.226 29.056 1.00 18.03 C ATOM 1577 CD1 LEU B 76 15.047 7.521 29.302 1.00 21.73 C ATOM 1578 CD2 LEU B 76 17.254 8.513 28.733 1.00 16.39 C ATOM 1579 H LEU B 76 17.955 4.827 28.416 1.00 0.00 H ATOM 1580 N VAL B 77 19.530 5.670 32.268 1.00 14.36 N ATOM 1581 CA VAL B 77 19.985 4.890 33.415 1.00 12.83 C ATOM 1582 C VAL B 77 19.474 5.551 34.683 1.00 18.58 C ATOM 1583 O VAL B 77 19.652 6.758 34.874 1.00 16.66 O ATOM 1584 CB VAL B 77 21.519 4.764 33.455 1.00 19.27 C ATOM 1585 CG1 VAL B 77 21.956 3.912 34.643 1.00 19.04 C ATOM 1586 CG2 VAL B 77 22.029 4.168 32.166 1.00 17.27 C ATOM 1587 H VAL B 77 19.638 6.704 32.290 1.00 0.00 H ATOM 1588 N GLY B 78 18.845 4.768 35.548 1.00 18.52 N ATOM 1589 CA GLY B 78 18.292 5.303 36.768 1.00 18.81 C ATOM 1590 C GLY B 78 17.659 4.231 37.624 1.00 16.35 C ATOM 1591 O GLY B 78 17.796 3.038 37.362 1.00 15.96 O ATOM 1592 H GLY B 78 18.749 3.753 35.344 1.00 0.00 H ATOM 1593 N PRO B 79 16.960 4.640 38.670 1.00 13.81 N ATOM 1594 CA PRO B 79 16.409 3.688 39.646 1.00 18.30 C ATOM 1595 C PRO B 79 15.125 3.011 39.170 1.00 20.95 C ATOM 1596 O PRO B 79 14.104 3.027 39.856 1.00 18.98 O ATOM 1597 CB PRO B 79 16.168 4.564 40.876 1.00 16.44 C ATOM 1598 CG PRO B 79 15.909 5.932 40.319 1.00 21.72 C ATOM 1599 CD PRO B 79 16.782 6.043 39.092 1.00 21.26 C ATOM 1600 N THR B 80 15.175 2.423 37.987 1.00 25.85 N ATOM 1601 CA THR B 80 14.055 1.619 37.525 1.00 16.05 C ATOM 1602 C THR B 80 14.122 0.242 38.181 1.00 15.80 C ATOM 1603 O THR B 80 15.217 -0.292 38.397 1.00 19.60 O ATOM 1604 CB THR B 80 14.076 1.484 36.000 1.00 19.04 C ATOM 1605 OG1 THR B 80 13.006 0.626 35.576 1.00 19.35 O ATOM 1606 CG2 THR B 80 15.402 0.918 35.515 1.00 12.78 C ATOM 1607 HG1 THR B 80 13.119 -0.268 35.987 1.00 0.00 H ATOM 1608 H THR B 80 16.016 2.536 37.386 1.00 0.00 H ATOM 1609 N PRO B 81 12.975 -0.345 38.529 1.00 20.19 N ATOM 1610 CA PRO B 81 12.983 -1.691 39.118 1.00 23.06 C ATOM 1611 C PRO B 81 13.246 -2.804 38.125 1.00 25.03 C ATOM 1612 O PRO B 81 13.395 -3.960 38.543 1.00 20.74 O ATOM 1613 CB PRO B 81 11.568 -1.826 39.700 1.00 27.03 C ATOM 1614 CG PRO B 81 10.740 -0.949 38.854 1.00 19.50 C ATOM 1615 CD PRO B 81 11.612 0.209 38.425 1.00 19.73 C ATOM 1616 N VAL B 82 13.278 -2.506 36.828 1.00 16.31 N ATOM 1617 CA VAL B 82 13.510 -3.525 35.817 1.00 18.48 C ATOM 1618 C VAL B 82 14.214 -2.873 34.635 1.00 14.53 C ATOM 1619 O VAL B 82 14.038 -1.680 34.365 1.00 15.65 O ATOM 1620 CB VAL B 82 12.195 -4.209 35.368 1.00 22.67 C ATOM 1621 CG1 VAL B 82 11.538 -4.932 36.525 1.00 26.35 C ATOM 1622 CG2 VAL B 82 11.245 -3.190 34.780 1.00 27.75 C ATOM 1623 H VAL B 82 13.133 -1.520 36.530 1.00 0.00 H ATOM 1624 N ASN B 83 15.043 -3.657 33.951 1.00 15.43 N ATOM 1625 CA ASN B 83 15.681 -3.198 32.725 1.00 15.77 C ATOM 1626 C ASN B 83 14.632 -3.211 31.619 1.00 17.55 C ATOM 1627 O ASN B 83 13.942 -4.220 31.432 1.00 15.69 O ATOM 1628 CB ASN B 83 16.854 -4.090 32.324 1.00 16.42 C ATOM 1629 CG ASN B 83 18.022 -4.016 33.296 1.00 15.83 C ATOM 1630 OD1 ASN B 83 18.473 -2.938 33.683 1.00 19.45 O ATOM 1631 ND2 ASN B 83 18.544 -5.180 33.661 1.00 20.42 N ATOM 1632 HD22 ASN B 83 18.131 -6.068 33.310 1.00 0.00 H ATOM 1633 HD21 ASN B 83 19.366 -5.205 34.298 1.00 0.00 H ATOM 1634 H ASN B 83 15.239 -4.617 34.299 1.00 0.00 H ATOM 1635 N ILE B 84 14.533 -2.114 30.868 1.00 13.83 N ATOM 1636 CA ILE B 84 13.473 -1.940 29.879 1.00 14.64 C ATOM 1637 C ILE B 84 14.092 -1.577 28.536 1.00 15.79 C ATOM 1638 O ILE B 84 14.801 -0.570 28.429 1.00 16.36 O ATOM 1639 CB ILE B 84 12.470 -0.858 30.314 1.00 17.63 C ATOM 1640 CG1 ILE B 84 11.597 -1.359 31.476 1.00 16.53 C ATOM 1641 CG2 ILE B 84 11.612 -0.427 29.139 1.00 15.65 C ATOM 1642 CD1 ILE B 84 10.976 -0.241 32.296 1.00 18.88 C ATOM 1643 H ILE B 84 15.235 -1.356 30.991 1.00 0.00 H ATOM 1644 N ILE B 85 13.813 -2.384 27.513 1.00 13.37 N ATOM 1645 CA ILE B 85 14.161 -2.039 26.138 1.00 11.19 C ATOM 1646 C ILE B 85 12.958 -1.340 25.518 1.00 11.63 C ATOM 1647 O ILE B 85 11.868 -1.920 25.411 1.00 13.96 O ATOM 1648 CB ILE B 85 14.565 -3.273 25.318 1.00 13.66 C ATOM 1649 CG1 ILE B 85 15.690 -4.042 26.007 1.00 15.57 C ATOM 1650 CG2 ILE B 85 15.003 -2.855 23.908 1.00 13.38 C ATOM 1651 CD1 ILE B 85 16.921 -3.207 26.334 1.00 21.76 C ATOM 1652 H ILE B 85 13.333 -3.287 27.700 1.00 0.00 H ATOM 1653 N GLY B 86 13.148 -0.080 25.125 1.00 11.84 N ATOM 1654 CA GLY B 86 12.070 0.733 24.613 1.00 14.90 C ATOM 1655 C GLY B 86 12.024 0.745 23.094 1.00 8.58 C ATOM 1656 O GLY B 86 12.844 0.141 22.403 1.00 12.64 O ATOM 1657 H GLY B 86 14.102 0.330 25.189 1.00 0.00 H ATOM 1658 N ARG B 87 11.018 1.456 22.580 1.00 12.17 N ATOM 1659 CA ARG B 87 10.789 1.471 21.142 1.00 17.60 C ATOM 1660 C ARG B 87 12.008 1.964 20.377 1.00 17.14 C ATOM 1661 O ARG B 87 12.263 1.499 19.257 1.00 15.99 O ATOM 1662 CB ARG B 87 9.575 2.339 20.817 1.00 15.01 C ATOM 1663 CG ARG B 87 8.257 1.750 21.309 1.00 15.36 C ATOM 1664 CD ARG B 87 7.067 2.526 20.761 1.00 14.51 C ATOM 1665 NE ARG B 87 6.993 3.882 21.294 1.00 20.31 N ATOM 1666 CZ ARG B 87 7.348 4.982 20.631 1.00 23.95 C ATOM 1667 NH1 ARG B 87 7.811 4.911 19.393 1.00 15.75 N ATOM 1668 NH2 ARG B 87 7.241 6.163 21.218 1.00 22.19 N ATOM 1669 HE ARG B 87 6.637 3.999 22.264 1.00 0.00 H ATOM 1670 HH12 ARG B 87 8.084 5.779 18.889 1.00 0.00 H ATOM 1671 HH11 ARG B 87 7.902 3.987 18.924 1.00 0.00 H ATOM 1672 HH22 ARG B 87 7.516 7.025 20.706 1.00 0.00 H ATOM 1673 HH21 ARG B 87 6.881 6.229 22.192 1.00 0.00 H ATOM 1674 H ARG B 87 10.395 2.002 23.209 1.00 0.00 H ATOM 1675 N ASN B 88 12.762 2.902 20.953 1.00 11.84 N ATOM 1676 CA ASN B 88 13.910 3.482 20.259 1.00 12.87 C ATOM 1677 C ASN B 88 14.913 2.424 19.811 1.00 20.19 C ATOM 1678 O ASN B 88 15.541 2.573 18.755 1.00 18.71 O ATOM 1679 CB ASN B 88 14.573 4.537 21.160 1.00 13.99 C ATOM 1680 CG ASN B 88 15.407 3.933 22.295 1.00 19.25 C ATOM 1681 OD1 ASN B 88 14.933 3.113 23.077 1.00 16.74 O ATOM 1682 ND2 ASN B 88 16.649 4.379 22.404 1.00 14.80 N ATOM 1683 HD22 ASN B 88 17.014 5.074 21.721 1.00 0.00 H ATOM 1684 HD21 ASN B 88 17.260 4.035 23.172 1.00 0.00 H ATOM 1685 H ASN B 88 12.529 3.226 21.913 1.00 0.00 H ATOM 1686 N LEU B 89 15.085 1.352 20.577 1.00 15.52 N ATOM 1687 CA LEU B 89 15.987 0.289 20.146 1.00 15.16 C ATOM 1688 C LEU B 89 15.260 -0.879 19.499 1.00 16.45 C ATOM 1689 O LEU B 89 15.853 -1.582 18.675 1.00 14.62 O ATOM 1690 CB LEU B 89 16.814 -0.225 21.324 1.00 16.77 C ATOM 1691 CG LEU B 89 17.688 0.855 21.972 1.00 19.43 C ATOM 1692 CD1 LEU B 89 18.554 0.237 23.055 1.00 21.78 C ATOM 1693 CD2 LEU B 89 18.552 1.587 20.944 1.00 18.60 C ATOM 1694 H LEU B 89 14.578 1.271 21.481 1.00 0.00 H ATOM 1695 N MET B 90 13.983 -1.087 19.835 1.00 15.12 N ATOM 1696 CA MET B 90 13.242 -2.212 19.275 1.00 12.48 C ATOM 1697 C MET B 90 13.033 -2.061 17.776 1.00 19.79 C ATOM 1698 O MET B 90 13.062 -3.056 17.041 1.00 23.54 O ATOM 1699 CB MET B 90 11.903 -2.364 19.990 1.00 15.22 C ATOM 1700 CG MET B 90 12.003 -3.291 21.174 1.00 16.08 C ATOM 1701 SD MET B 90 10.416 -3.820 21.819 1.00 28.57 S ATOM 1702 CE MET B 90 9.981 -2.393 22.703 1.00 11.63 C ATOM 1703 H MET B 90 13.514 -0.441 20.501 1.00 0.00 H ATOM 1704 N THR B 91 12.809 -0.836 17.304 1.00 17.85 N ATOM 1705 CA THR B 91 12.742 -0.611 15.864 1.00 19.20 C ATOM 1706 C THR B 91 14.034 -1.036 15.179 1.00 21.83 C ATOM 1707 O THR B 91 14.009 -1.508 14.039 1.00 26.32 O ATOM 1708 CB THR B 91 12.491 0.863 15.558 1.00 19.43 C ATOM 1709 OG1 THR B 91 13.567 1.634 16.107 1.00 22.43 O ATOM 1710 CG2 THR B 91 11.170 1.328 16.130 1.00 21.92 C ATOM 1711 HG1 THR B 91 13.416 2.593 15.915 1.00 0.00 H ATOM 1712 H THR B 91 12.682 -0.040 17.961 1.00 0.00 H ATOM 1713 N GLN B 92 15.172 -0.866 15.855 1.00 23.96 N ATOM 1714 CA GLN B 92 16.456 -1.144 15.230 1.00 23.51 C ATOM 1715 C GLN B 92 16.738 -2.632 15.090 1.00 30.90 C ATOM 1716 O GLN B 92 17.584 -3.009 14.277 1.00 29.60 O ATOM 1717 CB GLN B 92 17.579 -0.492 16.033 1.00 21.19 C ATOM 1718 CG GLN B 92 17.515 1.022 16.043 1.00 23.52 C ATOM 1719 CD GLN B 92 18.726 1.640 16.701 1.00 25.72 C ATOM 1720 OE1 GLN B 92 19.803 1.045 16.723 1.00 22.87 O ATOM 1721 NE2 GLN B 92 18.554 2.834 17.257 1.00 34.02 N ATOM 1722 HE22 GLN B 92 17.625 3.299 17.213 1.00 0.00 H ATOM 1723 HE21 GLN B 92 19.349 3.304 17.736 1.00 0.00 H ATOM 1724 H GLN B 92 15.141 -0.531 16.839 1.00 0.00 H ATOM 1725 N ILE B 93 16.071 -3.485 15.869 1.00 24.41 N ATOM 1726 CA ILE B 93 16.282 -4.921 15.751 1.00 25.34 C ATOM 1727 C ILE B 93 15.175 -5.602 14.966 1.00 24.28 C ATOM 1728 O ILE B 93 15.191 -6.833 14.827 1.00 27.01 O ATOM 1729 CB ILE B 93 16.448 -5.569 17.138 1.00 28.18 C ATOM 1730 CG1 ILE B 93 15.164 -5.451 17.958 1.00 26.37 C ATOM 1731 CG2 ILE B 93 17.625 -4.939 17.881 1.00 22.25 C ATOM 1732 CD1 ILE B 93 15.164 -6.356 19.159 1.00 27.98 C ATOM 1733 H ILE B 93 15.393 -3.121 16.568 1.00 0.00 H ATOM 1734 N GLY B 94 14.228 -4.838 14.434 1.00 20.25 N ATOM 1735 CA GLY B 94 13.192 -5.386 13.585 1.00 28.43 C ATOM 1736 C GLY B 94 11.953 -5.869 14.300 1.00 29.97 C ATOM 1737 O GLY B 94 11.241 -6.726 13.767 1.00 24.26 O ATOM 1738 H GLY B 94 14.231 -3.817 14.633 1.00 0.00 H ATOM 1739 N CYS B 95 11.656 -5.332 15.481 1.00 22.47 N ATOM 1740 CA CYS B 95 10.599 -5.880 16.320 1.00 23.57 C ATOM 1741 C CYS B 95 9.253 -5.248 15.993 1.00 20.11 C ATOM 1742 O CYS B 95 9.119 -4.018 15.961 1.00 20.97 O ATOM 1743 CB CYS B 95 10.930 -5.672 17.802 1.00 31.01 C ATOM 1744 SG CYS B 95 9.884 -6.674 18.883 1.00 34.85 S ATOM 1745 H CYS B 95 12.190 -4.503 15.812 1.00 0.00 H ATOM 1746 N THR B 96 8.257 -6.100 15.755 1.00 18.48 N ATOM 1747 CA THR B 96 6.895 -5.665 15.499 1.00 15.58 C ATOM 1748 C THR B 96 5.941 -6.355 16.461 1.00 16.83 C ATOM 1749 O THR B 96 6.261 -7.401 17.027 1.00 15.80 O ATOM 1750 CB THR B 96 6.453 -5.984 14.062 1.00 25.09 C ATOM 1751 OG1 THR B 96 6.651 -7.379 13.812 1.00 21.20 O ATOM 1752 CG2 THR B 96 7.240 -5.175 13.061 1.00 23.05 C ATOM 1753 HG1 THR B 96 7.609 -7.600 13.924 1.00 0.00 H ATOM 1754 H THR B 96 8.463 -7.119 15.752 1.00 0.00 H ATOM 1755 N LEU B 97 4.751 -5.762 16.615 1.00 15.15 N ATOM 1756 CA LEU B 97 3.620 -6.383 17.290 1.00 20.01 C ATOM 1757 C LEU B 97 2.697 -6.991 16.240 1.00 22.74 C ATOM 1758 O LEU B 97 2.450 -6.377 15.199 1.00 25.37 O ATOM 1759 CB LEU B 97 2.838 -5.361 18.113 1.00 22.43 C ATOM 1760 CG LEU B 97 3.220 -5.111 19.565 1.00 22.87 C ATOM 1761 CD1 LEU B 97 2.426 -3.925 20.120 1.00 21.96 C ATOM 1762 CD2 LEU B 97 2.987 -6.367 20.408 1.00 18.94 C ATOM 1763 H LEU B 97 4.627 -4.804 16.231 1.00 0.00 H ATOM 1764 N ASN B 98 2.177 -8.189 16.517 1.00 19.17 N ATOM 1765 CA ASN B 98 1.368 -8.900 15.535 1.00 21.67 C ATOM 1766 C ASN B 98 0.181 -9.575 16.199 1.00 17.97 C ATOM 1767 O ASN B 98 0.346 -10.290 17.192 1.00 21.43 O ATOM 1768 CB ASN B 98 2.202 -9.951 14.790 1.00 25.15 C ATOM 1769 CG ASN B 98 3.364 -9.345 14.033 1.00 24.29 C ATOM 1770 OD1 ASN B 98 3.244 -9.003 12.856 1.00 25.07 O ATOM 1771 ND2 ASN B 98 4.498 -9.208 14.705 1.00 20.18 N ATOM 1772 HD22 ASN B 98 4.554 -9.511 15.698 1.00 0.00 H ATOM 1773 HD21 ASN B 98 5.332 -8.798 14.239 1.00 0.00 H ATOM 1774 H ASN B 98 2.352 -8.621 17.447 1.00 0.00 H ATOM 1775 N PHE B 99 -1.009 -9.341 15.646 1.00 20.51 N ATOM 1776 CA PHE B 99 -2.204 -10.103 16.018 1.00 23.17 C ATOM 1777 C PHE B 99 -3.189 -10.122 14.852 1.00 35.93 C ATOM 1778 O PHE B 99 -4.270 -10.712 14.936 1.00 27.45 O ATOM 1779 CB PHE B 99 -2.869 -9.544 17.286 1.00 26.04 C ATOM 1780 CG PHE B 99 -3.288 -8.104 17.190 1.00 27.16 C ATOM 1781 CD1 PHE B 99 -2.381 -7.085 17.442 1.00 21.23 C ATOM 1782 CD2 PHE B 99 -4.595 -7.766 16.884 1.00 26.40 C ATOM 1783 CE1 PHE B 99 -2.767 -5.756 17.367 1.00 26.41 C ATOM 1784 CE2 PHE B 99 -4.988 -6.441 16.808 1.00 32.54 C ATOM 1785 CZ PHE B 99 -4.071 -5.433 17.051 1.00 34.81 C ATOM 1786 OXT PHE B 99 -2.923 -9.551 13.793 1.00 35.79 O ATOM 1787 H PHE B 99 -1.092 -8.594 14.928 1.00 0.00 H TER 1788 PHE B 99 HETATM 1789 O HOH 1 -5.056 -12.355 16.421 1.00 32.27 O HETATM 1790 O HOH 2 15.244 -8.622 13.184 1.00 34.67 O HETATM 1791 O HOH 3 7.075 -13.391 26.845 1.00 20.61 O HETATM 1792 O HOH 4 32.791 -6.241 30.895 1.00 21.59 O HETATM 1793 O HOH 5 5.083 -16.491 26.822 1.00 18.57 O HETATM 1794 O HOH 6 20.315 -4.869 14.351 1.00 21.91 O HETATM 1795 O HOH 7 20.691 -15.402 29.337 1.00 41.83 O HETATM 1796 O HOH 8 26.089 16.438 29.028 1.00 31.24 O HETATM 1797 O HOH 9 15.598 11.182 25.427 1.00 43.56 O HETATM 1798 O HOH 10 16.206 15.742 43.258 1.00 77.20 O HETATM 1799 O HOH 11 6.844 -17.510 23.564 1.00 35.32 O HETATM 1800 O HOH 12 29.249 -3.888 25.567 1.00 45.40 O HETATM 1801 O HOH 13 12.014 -7.091 11.277 1.00 21.53 O HETATM 1802 O HOH 14 27.772 -0.670 25.243 1.00 27.95 O HETATM 1803 O HOH 15 3.772 8.680 43.844 1.00 41.57 O HETATM 1804 O HOH 16 4.891 5.325 25.335 1.00 26.13 O HETATM 1805 O HOH 17 9.381 -1.755 14.573 1.00 16.93 O HETATM 1806 O HOH 18 -0.396 -14.865 31.209 1.00 31.05 O HETATM 1807 O HOH 19 6.977 -18.463 20.793 1.00 33.23 O HETATM 1808 O HOH 20 29.148 8.716 32.913 1.00 31.89 O HETATM 1809 O HOH 21 5.315 3.380 23.433 1.00 17.08 O HETATM 1810 O HOH 22 8.965 -8.249 12.747 1.00 21.24 O HETATM 1811 O HOH 23 13.208 4.151 17.013 1.00 27.97 O HETATM 1812 O HOH 24 27.962 6.429 35.289 1.00 34.69 O HETATM 1813 O HOH 25 25.878 10.479 26.067 1.00 34.33 O HETATM 1814 O HOH 26 32.342 -3.401 31.724 1.00 30.70 O HETATM 1815 O HOH 27 -6.161 -10.279 12.981 1.00 43.41 O HETATM 1816 O HOH 28 17.808 -3.884 40.725 1.00 33.46 O HETATM 1817 O HOH 29 28.041 8.103 24.546 1.00 43.02 O HETATM 1818 O HOH 30 29.038 6.477 22.612 1.00 42.29 O HETATM 1819 O HOH 31 24.213 -6.360 35.420 1.00 31.25 O HETATM 1820 O HOH 32 7.129 11.595 40.833 1.00 35.01 O HETATM 1821 O HOH 33 30.285 -9.329 31.329 1.00 30.11 O HETATM 1822 O HOH 34 16.470 10.000 22.784 1.00 44.88 O HETATM 1823 O HOH 35 18.631 17.980 30.665 1.00 25.55 O HETATM 1824 O HOH 36 25.623 -8.097 34.442 1.00 35.39 O HETATM 1825 O HOH 37 16.356 4.839 17.294 1.00 36.81 O HETATM 1826 O HOH 38 21.277 -2.231 34.326 1.00 18.40 O HETATM 1827 O HOH 39 11.336 -13.499 25.881 1.00 30.35 O HETATM 1828 O HOH 40 23.375 12.645 26.563 1.00 35.00 O HETATM 1829 O HOH 41 14.254 9.678 40.902 1.00 22.46 O HETATM 1830 O HOH 42 17.434 -13.703 25.138 1.00 28.20 O HETATM 1831 O HOH 43 17.681 6.283 20.359 1.00 20.20 O HETATM 1832 O HOH 44 7.038 5.772 27.399 1.00 18.18 O HETATM 1833 O HOH 45 6.335 9.510 42.822 1.00 32.51 O HETATM 1834 O HOH 46 15.362 -6.666 34.421 1.00 24.19 O HETATM 1835 O HOH 47 21.414 8.428 20.865 1.00 25.88 O HETATM 1836 O HOH 48 17.828 0.497 39.386 1.00 17.88 O HETATM 1837 O HOH 49 4.848 -19.012 19.307 1.00 37.74 O HETATM 1838 O HOH 50 11.456 -2.258 12.830 1.00 28.21 O HETATM 1839 O HOH 51 7.835 10.414 30.421 1.00 26.49 O HETATM 1840 O HOH 52 10.551 -8.683 35.442 1.00 30.97 O HETATM 1841 O HOH 53 11.021 5.936 20.393 1.00 28.36 O HETATM 1842 O HOH 54 15.431 8.534 21.318 1.00 35.97 O HETATM 1843 O HOH 55 9.213 13.410 30.234 1.00 47.65 O HETATM 1844 O HOH 56 21.481 -2.161 39.564 1.00 33.03 O HETATM 1845 O HOH 57 27.651 -3.342 23.843 1.00 40.59 O HETATM 1846 O HOH 58 6.453 -13.483 33.857 1.00 29.16 O HETATM 1847 O HOH 59 6.017 -5.341 39.032 1.00 43.83 O HETATM 1848 O HOH 60 17.154 14.427 24.138 1.00 38.40 O HETATM 1849 O HOH 61 8.452 7.918 19.003 1.00 37.02 O HETATM 1850 O HOH 62 27.940 14.624 31.725 1.00 30.46 O HETATM 1851 O HOH 63 27.835 -0.926 37.698 1.00 31.63 O HETATM 1852 O HOH 64 0.876 -10.165 11.018 1.00 35.19 O HETATM 1853 O HOH 65 21.883 -12.094 31.774 1.00 39.11 O HETATM 1854 O HOH 66 26.840 -0.609 39.603 1.00 42.73 O HETATM 1855 O HOH 67 5.932 7.504 29.022 1.00 31.08 O HETATM 1856 O HOH 68 10.981 4.941 18.071 1.00 34.65 O HETATM 1857 O HOH 69 22.809 -10.421 23.183 1.00 36.71 O HETATM 1858 O HOH 70 15.670 -1.375 10.993 1.00 37.83 O HETATM 1859 O HOH 71 30.181 5.890 25.964 1.00 39.72 O HETATM 1860 O HOH 72 9.351 -14.800 27.061 1.00 33.10 O HETATM 1861 O HOH 73 9.232 -5.812 39.006 1.00 53.65 O HETATM 1862 O HOH 74 17.130 7.903 19.599 1.00 46.46 O HETATM 1863 O HOH 75 11.081 14.330 28.872 1.00 40.57 O HETATM 1864 O HOH 76 0.084 -12.664 14.080 1.00 41.53 O HETATM 1865 O HOH 77 16.614 0.372 11.926 1.00 35.29 O HETATM 1866 O HOH 78 12.280 -15.381 31.449 1.00 46.59 O HETATM 1867 O HOH 79 26.333 10.071 14.732 1.00 51.75 O HETATM 1868 O HOH 80 8.378 -13.884 34.140 1.00 36.07 O HETATM 1869 O HOH 81 2.231 -19.680 19.872 1.00 31.55 O HETATM 1870 O HOH 82 8.326 -17.225 25.664 1.00 45.37 O HETATM 1871 O HOH 83 25.258 14.246 26.151 1.00 49.13 O HETATM 1872 O HOH 84 16.888 -14.005 15.763 1.00 42.81 O HETATM 1873 O HOH 85 10.327 -10.972 36.039 1.00 31.03 O HETATM 1874 O HOH 86 20.991 -12.703 13.498 1.00 45.46 O HETATM 1875 O HOH 87 20.266 -14.260 23.539 1.00 42.01 O HETATM 1876 O HOH 88 23.525 -3.685 41.228 1.00 44.62 O HETATM 1877 O HOH 89 14.903 -10.337 35.546 1.00 43.16 O HETATM 1878 O HOH 90 13.263 -8.280 35.371 1.00 30.74 O HETATM 1879 O HOH 91 -10.247 -12.126 20.901 1.00 33.79 O HETATM 1880 O HOH 92 -6.336 -12.772 30.623 1.00 28.74 O HETATM 1881 O HOH 93 1.066 6.655 17.694 1.00 32.69 O HETATM 1882 O HOH 94 3.164 1.812 16.442 1.00 22.52 O HETATM 1883 O HOH 95 -4.257 -8.609 35.308 1.00 38.33 O HETATM 1884 O HOH 96 10.330 4.485 41.423 1.00 24.04 O HETATM 1885 O HOH 97 -21.971 2.905 26.873 1.00 37.05 O HETATM 1886 O HOH 98 -12.840 -13.720 31.123 1.00 16.64 O HETATM 1887 O HOH 99 -17.355 -3.243 28.668 1.00 22.02 O HETATM 1888 O HOH 100 -2.625 -13.958 16.659 1.00 33.64 O HETATM 1889 O HOH 101 6.080 1.475 9.601 1.00 21.96 O HETATM 1890 O HOH 102 0.271 7.564 38.289 1.00 18.74 O HETATM 1891 O HOH 103 -16.400 10.591 28.671 1.00 46.19 O HETATM 1892 O HOH 104 0.645 -13.889 23.256 1.00 20.93 O HETATM 1893 O HOH 105 -11.203 -10.870 34.895 1.00 22.69 O HETATM 1894 O HOH 106 -10.087 5.729 30.451 1.00 28.87 O HETATM 1895 O HOH 107 -5.038 9.860 34.552 1.00 24.78 O HETATM 1896 O HOH 108 5.513 -7.599 30.786 1.00 13.42 O HETATM 1897 O HOH 109 2.575 6.875 45.250 1.00 25.20 O HETATM 1898 O HOH 110 8.763 8.641 42.066 1.00 38.48 O HETATM 1899 O HOH 111 7.243 -0.497 40.973 1.00 36.18 O HETATM 1900 O HOH 112 4.985 2.782 34.870 1.00 14.01 O HETATM 1901 O HOH 113 5.998 -6.308 33.262 1.00 13.02 O HETATM 1902 O HOH 114 -7.558 5.708 42.587 1.00 55.20 O HETATM 1903 O HOH 115 5.620 2.761 13.441 1.00 18.82 O HETATM 1904 O HOH 116 -0.640 -10.674 33.211 1.00 26.03 O HETATM 1905 O HOH 117 -8.530 -12.418 18.621 1.00 36.06 O HETATM 1906 O HOH 118 -2.999 -14.176 30.016 1.00 30.53 O HETATM 1907 O HOH 119 -15.210 -2.171 46.528 1.00 46.89 O HETATM 1908 O HOH 120 -7.526 9.327 35.557 1.00 24.04 O HETATM 1909 O HOH 121 8.067 -14.410 13.808 1.00 37.21 O HETATM 1910 O HOH 122 0.047 -1.375 10.930 1.00 37.17 O HETATM 1911 O HOH 123 11.443 8.661 27.458 1.00 29.13 O HETATM 1912 O HOH 124 -18.387 -2.274 25.432 1.00 45.62 O HETATM 1913 O HOH 125 -10.037 4.769 40.472 1.00 33.46 O HETATM 1914 O HOH 126 -9.676 -10.252 46.914 1.00 43.75 O HETATM 1915 O HOH 127 -4.426 7.251 27.008 1.00 26.63 O HETATM 1916 O HOH 128 0.585 -13.157 16.627 1.00 26.52 O HETATM 1917 O HOH 129 -5.477 -5.881 34.462 1.00 15.40 O HETATM 1918 O HOH 130 -3.520 -4.614 45.991 1.00 32.54 O HETATM 1919 O HOH 131 0.171 6.960 24.792 1.00 35.02 O HETATM 1920 O HOH 132 -1.376 4.254 16.190 1.00 40.45 O HETATM 1921 O HOH 133 2.220 -3.925 41.409 1.00 27.52 O HETATM 1922 O HOH 134 -3.178 6.680 44.384 1.00 19.51 O HETATM 1923 O HOH 135 9.859 -12.675 12.810 1.00 36.64 O HETATM 1924 O HOH 136 10.952 6.902 16.447 1.00 41.63 O HETATM 1925 O HOH 137 2.646 -0.009 11.831 1.00 35.04 O HETATM 1926 O HOH 138 0.724 -12.801 32.915 1.00 31.59 O HETATM 1927 O HOH 139 -0.723 -9.996 37.114 1.00 47.53 O HETATM 1928 O HOH 140 -7.297 -10.813 32.996 1.00 22.14 O HETATM 1929 O HOH 141 -16.733 -3.824 24.513 1.00 33.80 O HETATM 1930 O HOH 142 3.102 -6.143 38.517 1.00 36.59 O HETATM 1931 O HOH 143 1.510 -7.707 38.446 1.00 37.66 O HETATM 1932 O HOH 144 -9.135 8.115 24.968 1.00 26.29 O HETATM 1933 O HOH 145 -18.055 -2.669 44.336 1.00 40.08 O HETATM 1934 O HOH 146 -8.496 -6.261 47.627 1.00 46.11 O HETATM 1935 O HOH 147 -0.961 -15.602 17.571 1.00 42.94 O HETATM 1936 O HOH 148 -7.079 1.003 16.068 1.00 29.26 O HETATM 1937 O HOH 149 -9.465 8.209 27.265 1.00 40.39 O HETATM 1938 O HOH 150 -12.123 -1.888 18.736 1.00 42.67 O HETATM 1939 O HOH 151 -1.360 -15.664 22.891 1.00 35.54 O HETATM 1940 O HOH 152 -7.380 -7.909 12.105 1.00 42.15 O HETATM 1941 O HOH 153 -19.565 8.041 25.014 1.00 37.10 O HETATM 1942 O HOH 154 4.398 -13.363 34.421 1.00 40.76 O HETATM 1943 O HOH 155 -6.064 -11.689 35.141 1.00 46.46 O HETATM 1944 O HOH 156 -13.774 -2.131 17.065 1.00 49.36 O HETATM 1945 O HOH 157 -5.925 4.541 16.565 1.00 49.28 O HETATM 1946 O HOH 158 -7.944 -11.784 13.136 1.00 48.36 O HETATM 1947 O HOH 159 0.653 2.328 15.367 1.00 37.26 O HETATM 1948 O HOH 160 0.931 -11.435 35.269 1.00 46.55 O HETATM 1949 O HOH 161 -4.592 -7.621 38.681 1.00 33.62 O HETATM 1950 O HOH 162 -9.560 4.226 43.312 1.00 43.77 O HETATM 1951 O HOH 163 -17.714 -11.940 18.648 1.00 48.16 O HETATM 1952 O HOH 164 9.111 -10.184 11.343 1.00 25.34 O HETATM 1953 O HOH 165 -4.910 -14.638 31.502 1.00 35.83 O HETATM 1954 O HOH 166 -5.704 7.799 44.299 1.00 44.15 O HETATM 1955 O HOH 167 11.367 8.938 18.118 1.00 44.88 O HETATM 1956 N1 MOL A 168 11.249 5.989 28.473 1.00 -0.34 N HETATM 1957 C2 MOL A 168 10.269 5.336 29.386 1.00 0.04 C HETATM 1958 C3 MOL A 168 10.443 4.016 29.712 1.00 -0.04 C HETATM 1959 C4 MOL A 168 9.555 3.401 30.551 1.00 -0.05 C HETATM 1960 C5 MOL A 168 8.484 4.123 31.068 1.00 0.09 C HETATM 1961 C6 MOL A 168 8.291 5.430 30.750 1.00 -0.05 C HETATM 1962 C7 MOL A 168 9.194 6.058 29.899 1.00 -0.04 C HETATM 1963 H6 MOL A 168 9.062 7.102 29.637 1.00 0.05 H HETATM 1964 H5 MOL A 168 7.446 5.975 31.154 1.00 0.06 H HETATM 1965 S8 MOL A 168 7.294 3.270 32.159 1.00 0.06 S HETATM 1966 O9 MOL A 168 6.745 4.123 33.185 1.00 -0.15 O HETATM 1967 O10 MOL A 168 7.955 2.133 32.855 1.00 -0.15 O HETATM 1968 N11 MOL A 168 6.036 2.701 31.130 1.00 -0.23 N HETATM 1969 C12 MOL A 168 5.244 3.745 30.459 1.00 0.03 C HETATM 1970 C13 MOL A 168 3.769 3.350 30.368 1.00 -0.03 C HETATM 1971 C14 MOL A 168 3.027 4.320 29.381 1.00 -0.06 C HETATM 1972 H10 MOL A 168 1.966 4.036 29.316 1.00 0.02 H HETATM 1973 H11 MOL A 168 3.487 4.251 28.384 1.00 0.02 H HETATM 1974 H12 MOL A 168 3.108 5.353 29.752 1.00 0.02 H HETATM 1975 C15 MOL A 168 3.072 3.342 31.737 1.00 -0.06 C HETATM 1976 H13 MOL A 168 3.604 2.659 32.415 1.00 0.02 H HETATM 1977 H14 MOL A 168 2.032 3.004 31.617 1.00 0.02 H HETATM 1978 H15 MOL A 168 3.081 4.358 32.159 1.00 0.02 H HETATM 1979 H9 MOL A 168 3.716 2.330 29.959 1.00 0.03 H HETATM 1980 H7 MOL A 168 5.638 3.896 29.443 1.00 0.05 H HETATM 1981 H8 MOL A 168 5.330 4.682 31.029 1.00 0.05 H HETATM 1982 C16 MOL A 168 6.360 1.382 30.409 1.00 0.06 C HETATM 1983 C17 MOL A 168 5.444 0.254 30.976 1.00 0.10 C HETATM 1984 O18 MOL A 168 5.557 -0.866 30.182 1.00 -0.39 O HETATM 1985 H19 MOL A 168 5.289 -0.653 29.296 1.00 0.21 H HETATM 1986 C19 MOL A 168 5.839 -0.087 32.413 1.00 0.08 C HETATM 1987 N20 MOL A 168 4.818 -0.999 32.884 1.00 -0.26 N HETATM 1988 C21 MOL A 168 3.856 -0.721 33.928 1.00 0.32 C HETATM 1989 O22 MOL A 168 3.820 0.346 34.495 1.00 -0.38 O HETATM 1990 O23 MOL A 168 3.003 -1.802 34.180 1.00 -0.26 O HETATM 1991 C24 MOL A 168 2.255 -1.796 35.375 1.00 0.12 C HETATM 1992 C25 MOL A 168 0.748 -2.381 34.955 1.00 0.08 C HETATM 1993 O26 MOL A 168 0.970 -3.715 34.843 1.00 -0.35 O HETATM 1994 C27 MOL A 168 2.055 -4.078 35.908 1.00 0.16 C HETATM 1995 O28 MOL A 168 2.952 -4.783 35.376 1.00 -0.35 O HETATM 1996 C29 MOL A 168 4.354 -3.994 35.562 1.00 0.05 C HETATM 1997 C30 MOL A 168 4.143 -2.926 36.309 1.00 -0.02 C HETATM 1998 C31 MOL A 168 2.673 -2.662 36.296 1.00 0.04 C HETATM 1999 H30 MOL A 168 2.341 -2.327 37.290 1.00 0.04 H HETATM 2000 H28 MOL A 168 4.685 -2.063 35.894 1.00 0.03 H HETATM 2001 H29 MOL A 168 4.483 -3.113 37.338 1.00 0.03 H HETATM 2002 H26 MOL A 168 4.739 -3.687 34.578 1.00 0.06 H HETATM 2003 H27 MOL A 168 5.086 -4.651 36.054 1.00 0.06 H HETATM 2004 H25 MOL A 168 1.620 -4.591 36.778 1.00 0.09 H HETATM 2005 H23 MOL A 168 0.408 -1.953 34.000 1.00 0.06 H HETATM 2006 H24 MOL A 168 0.006 -2.166 35.738 1.00 0.06 H HETATM 2007 H22 MOL A 168 2.212 -0.779 35.791 1.00 0.07 H HETATM 2008 H21 MOL A 168 4.774 -1.899 32.450 1.00 0.19 H HETATM 2009 C32 MOL A 168 7.144 -0.856 32.543 1.00 0.01 C HETATM 2010 C38 MOL A 168 7.425 -1.319 33.979 1.00 -0.04 C HETATM 2011 C33 MOL A 168 7.695 -0.387 34.957 1.00 -0.06 C HETATM 2012 C34 MOL A 168 7.950 -0.803 36.275 1.00 -0.07 C HETATM 2013 C35 MOL A 168 7.937 -2.167 36.597 1.00 -0.07 C HETATM 2014 C36 MOL A 168 7.666 -3.099 35.625 1.00 -0.07 C HETATM 2015 C37 MOL A 168 7.416 -2.690 34.309 1.00 -0.06 C HETATM 2016 H37 MOL A 168 7.215 -3.429 33.542 1.00 0.06 H HETATM 2017 H36 MOL A 168 7.646 -4.153 35.877 1.00 0.06 H HETATM 2018 H35 MOL A 168 8.141 -2.486 37.613 1.00 0.06 H HETATM 2019 H34 MOL A 168 8.157 -0.068 37.044 1.00 0.06 H HETATM 2020 H33 MOL A 168 7.711 0.668 34.710 1.00 0.06 H HETATM 2021 H31 MOL A 168 7.969 -0.205 32.217 1.00 0.04 H HETATM 2022 H32 MOL A 168 7.096 -1.741 31.892 1.00 0.04 H HETATM 2023 H20 MOL A 168 5.881 0.830 33.019 1.00 0.06 H HETATM 2024 H18 MOL A 168 4.400 0.601 30.966 1.00 0.06 H HETATM 2025 H16 MOL A 168 7.415 1.119 30.577 1.00 0.05 H HETATM 2026 H17 MOL A 168 6.178 1.497 29.330 1.00 0.05 H HETATM 2027 H4 MOL A 168 9.685 2.357 30.812 1.00 0.06 H HETATM 2028 H3 MOL A 168 11.281 3.462 29.306 1.00 0.05 H HETATM 2029 H1 MOL A 168 12.042 5.449 28.097 1.00 0.17 H HETATM 2030 H2 MOL A 168 11.134 6.980 28.218 1.00 0.17 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 888 889 894 895 896 CONECT 895 888 CONECT 896 888 CONECT 1956 1957 2029 2030 CONECT 1957 1956 1958 1962 CONECT 1958 1957 1959 2028 CONECT 1959 1958 1960 2027 CONECT 1960 1959 1961 1965 CONECT 1961 1960 1962 1964 CONECT 1962 1957 1961 1963 CONECT 1963 1962 CONECT 1964 1961 CONECT 1965 1960 1966 1967 1968 CONECT 1966 1965 CONECT 1967 1965 CONECT 1968 1965 1969 1982 CONECT 1969 1968 1970 1980 1981 CONECT 1970 1969 1971 1975 1979 CONECT 1971 1970 1972 1973 1974 CONECT 1972 1971 CONECT 1973 1971 CONECT 1974 1971 CONECT 1975 1970 1976 1977 1978 CONECT 1976 1975 CONECT 1977 1975 CONECT 1978 1975 CONECT 1979 1970 CONECT 1980 1969 CONECT 1981 1969 CONECT 1982 1968 1983 2025 2026 CONECT 1983 1982 1984 1986 2024 CONECT 1984 1983 1985 CONECT 1985 1984 CONECT 1986 1983 1987 2009 2023 CONECT 1987 1986 1988 2008 CONECT 1988 1987 1989 1990 CONECT 1989 1988 CONECT 1990 1988 1991 CONECT 1991 1990 1992 1998 2007 CONECT 1992 1991 1993 2005 2006 CONECT 1993 1992 1994 CONECT 1994 1993 1995 1998 2004 CONECT 1995 1994 1996 CONECT 1996 1995 1997 2002 2003 CONECT 1997 1996 1998 2000 2001 CONECT 1998 1991 1994 1997 1999 CONECT 1999 1998 CONECT 2000 1997 CONECT 2001 1997 CONECT 2002 1996 CONECT 2003 1996 CONECT 2004 1994 CONECT 2005 1992 CONECT 2006 1992 CONECT 2007 1991 CONECT 2008 1987 CONECT 2009 1986 2010 2021 2022 CONECT 2010 2009 2011 2015 CONECT 2011 2010 2012 2020 CONECT 2012 2011 2013 2019 CONECT 2013 2012 2014 2018 CONECT 2014 2013 2015 2017 CONECT 2015 2010 2014 2016 CONECT 2016 2015 CONECT 2017 2014 CONECT 2018 2013 CONECT 2019 2012 CONECT 2020 2011 CONECT 2021 2009 CONECT 2022 2009 CONECT 2023 1986 CONECT 2024 1983 CONECT 2025 1982 CONECT 2026 1982 CONECT 2027 1959 CONECT 2028 1958 CONECT 2029 1956 CONECT 2030 1956 MASTER 0 0 0 0 0 0 0 0 2028 2 81 16 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 6oos
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1eby
RCSB PDB
PDBbind
99aa, >1EBY_1|Chains... at 90%
1hxw
RCSB PDB
PDBbind
99aa, >1HXW_1|Chains... at 90%
1izh
RCSB PDB
PDBbind
99aa, >1IZH_1|Chains... at 90%
1k6c
RCSB PDB
PDBbind
99aa, >1K6C_1|Chains... at 91%
1k6p
RCSB PDB
PDBbind
99aa, >1K6P_1|Chains... at 91%
1k6t
RCSB PDB
PDBbind
99aa, >1K6T_1|Chains... at 91%
1k6v
RCSB PDB
PDBbind
99aa, >1K6V_1|Chains... at 91%
1pro
RCSB PDB
PDBbind
99aa, >1PRO_1|Chains... at 90%
1sbg
RCSB PDB
PDBbind
99aa, >1SBG_1|Chains... at 90%
1t7j
RCSB PDB
PDBbind
99aa, >1T7J_1|Chains... at 91%
1vij
RCSB PDB
PDBbind
99aa, >1VIJ_1|Chains... at 90%
1vik
RCSB PDB
PDBbind
99aa, >1VIK_1|Chains... at 90%
1zp8
RCSB PDB
PDBbind
99aa, >1ZP8_1|Chain... at 90%
1zpa
RCSB PDB
PDBbind
99aa, >1ZPA_1|Chain... at 90%
2az8
RCSB PDB
PDBbind
99aa, >2AZ8_1|Chain... at 91%
2az9
RCSB PDB
PDBbind
99aa, >2AZ9_1|Chain... at 90%
2i4d
RCSB PDB
PDBbind
99aa, >2I4D_1|Chains... at 90%
2i4u
RCSB PDB
PDBbind
99aa, >2I4U_1|Chains... at 90%
2i4w
RCSB PDB
PDBbind
99aa, >2I4W_1|Chains... at 90%
2o4k
RCSB PDB
PDBbind
99aa, >2O4K_1|Chains... at 90%
2o4p
RCSB PDB
PDBbind
99aa, >2O4P_1|Chains... at 90%
2o4s
RCSB PDB
PDBbind
99aa, >2O4S_1|Chains... at 90%
2p3b
RCSB PDB
PDBbind
99aa, >2P3B_2|Chain... at 90%
3ekp
RCSB PDB
PDBbind
99aa, >3EKP_1|Chains... at 90%
3ekq
RCSB PDB
PDBbind
99aa, >3EKQ_1|Chains... at 90%
3ekt
RCSB PDB
PDBbind
99aa, >3EKT_1|Chains... at 90%
3ekw
RCSB PDB
PDBbind
99aa, >3EKW_1|Chains... at 90%
3el0
RCSB PDB
PDBbind
99aa, >3EL0_1|Chains... at 90%
3el4
RCSB PDB
PDBbind
99aa, >3EL4_1|Chains... at 92%
3el5
RCSB PDB
PDBbind
99aa, >3EL5_1|Chains... at 91%
3kfn
RCSB PDB
PDBbind
99aa, >3KFN_1|Chains... at 91%
3m9f
RCSB PDB
PDBbind
99aa, >3M9F_1|Chains... at 90%
3tlh
RCSB PDB
PDBbind
99aa, >3TLH_1|Chain... at 90%
4eqj
RCSB PDB
PDBbind
203aa, >4EQJ_1|Chain... *
4ll3
RCSB PDB
PDBbind
99aa, >4LL3_1|Chains... at 90%
4phv
RCSB PDB
PDBbind
99aa, >4PHV_1|Chains... at 90%
5hvp
RCSB PDB
PDBbind
99aa, >5HVP_1|Chains... at 90%
5ivs
RCSB PDB
PDBbind
99aa, >5IVS_1|Chains... at 90%
6dgx
RCSB PDB
PDBbind
99aa, >6DGX_1|Chains... at 91%
6dgy
RCSB PDB
PDBbind
99aa, >6DGY_1|Chains... at 91%
6dgz
RCSB PDB
PDBbind
99aa, >6DGZ_1|Chains... at 91%
6dh0
RCSB PDB
PDBbind
99aa, >6DH0_1|Chains... at 90%
6dh1
RCSB PDB
PDBbind
99aa, >6DH1_1|Chains... at 90%
6dh2
RCSB PDB
PDBbind
99aa, >6DH2_1|Chains... at 90%
6dh3
RCSB PDB
PDBbind
99aa, >6DH3_1|Chains... at 90%
6dh4
RCSB PDB
PDBbind
99aa, >6DH4_1|Chains... at 90%
6dh5
RCSB PDB
PDBbind
99aa, >6DH5_1|Chains... at 90%
6dh6
RCSB PDB
PDBbind
99aa, >6DH6_1|Chains... at 90%
6dh7
RCSB PDB
PDBbind
99aa, >6DH7_1|Chains... at 90%
6dh8
RCSB PDB
PDBbind
99aa, >6DH8_1|Chains... at 90%
9hvp
RCSB PDB
PDBbind
99aa, >9HVP_1|Chains... at 90%
6oy2
RCSB PDB
PDBbind
99aa, >6OY2_1|Chains... at 91%
6oy0
RCSB PDB
PDBbind
99aa, >6OY0_1|Chains... at 91%
6oxz
RCSB PDB
PDBbind
99aa, >6OXZ_1|Chains... at 91%
6oxy
RCSB PDB
PDBbind
99aa, >6OXY_1|Chains... at 91%
6oxx
RCSB PDB
PDBbind
99aa, >6OXX_1|Chains... at 91%
6oxw
RCSB PDB
PDBbind
99aa, >6OXW_1|Chains... at 91%
6oxv
RCSB PDB
PDBbind
99aa, >6OXV_1|Chains... at 91%
6oxu
RCSB PDB
PDBbind
99aa, >6OXU_1|Chains... at 91%
6oxt
RCSB PDB
PDBbind
99aa, >6OXT_1|Chains... at 91%
6oxs
RCSB PDB
PDBbind
99aa, >6OXS_1|Chains... at 91%
6oxr
RCSB PDB
PDBbind
99aa, >6OXR_1|Chains... at 91%
6oxq
RCSB PDB
PDBbind
99aa, >6OXQ_1|Chains... at 91%
6oxp
RCSB PDB
PDBbind
99aa, >6OXP_1|Chains... at 91%
6oou
RCSB PDB
PDBbind
99aa, >6OOU_1|Chains... at 90%
6oy1
RCSB PDB
PDBbind
99aa, >6OY1_1|Chains... at 91%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
2f80
RCSB PDB
PDBbind
017
2f81
RCSB PDB
PDBbind
017
2f8g
RCSB PDB
PDBbind
017
2hs1
RCSB PDB
PDBbind
017
2hs2
RCSB PDB
PDBbind
017
2idw
RCSB PDB
PDBbind
017
2ien
RCSB PDB
PDBbind
017
2ieo
RCSB PDB
PDBbind
017
3bvb
RCSB PDB
PDBbind
017
3cyw
RCSB PDB
PDBbind
017
3d1z
RCSB PDB
PDBbind
017
3d20
RCSB PDB
PDBbind
017
3ekt
RCSB PDB
PDBbind
017
3ggu
RCSB PDB
PDBbind
017
3lzs
RCSB PDB
PDBbind
017
3lzu
RCSB PDB
PDBbind
017
3lzv
RCSB PDB
PDBbind
017
3ogp
RCSB PDB
PDBbind
017
3pwm
RCSB PDB
PDBbind
017
3s53
RCSB PDB
PDBbind
017
3s54
RCSB PDB
PDBbind
017
3so9
RCSB PDB
PDBbind
017
3t3c
RCSB PDB
PDBbind
017
3tkw
RCSB PDB
PDBbind
017
3ttp
RCSB PDB
PDBbind
017
3u7s
RCSB PDB
PDBbind
017
4hla
RCSB PDB
PDBbind
017
4ll3
RCSB PDB
PDBbind
017
4q1w
RCSB PDB
PDBbind
017
4q1x
RCSB PDB
PDBbind
017
4q1y
RCSB PDB
PDBbind
017
5kqy
RCSB PDB
PDBbind
017
5kr1
RCSB PDB
PDBbind
017
6dgx
RCSB PDB
PDBbind
017
6dh0
RCSB PDB
PDBbind
017
6dh3
RCSB PDB
PDBbind
017
6dh6
RCSB PDB
PDBbind
017
6oou
RCSB PDB
PDBbind
017
6oot
RCSB PDB
PDBbind
017
Entry Information
PDB ID
6oos
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
HIV-1 Protease NL4-3 L90M Mutant
Ligand Name
017
EC.Number
E.C.-.-.-.-
Resolution
1.9(Å)
Affinity (Kd/Ki/IC50)
Ki=0.005nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Biochemistry Vol. 58: pp. 3711-3726
Ligand Properties
Formula
C
2
7
H
3
7
N
3
O
7
S
Molecular Weight
547.664
Exact Mass
547.235
No. of atoms
75
No. of bonds
78
Polar Surface Area
148.8
LOGP Value
2.94 (
Computed with XLOGP3
)
4.43 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 14
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 4
Canonical SMILES
CC(CN(S(=O)(=O)c1ccc(cc1)N)C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2[C@H]1CCO2)O)C
InChI String
InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/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
UniProt accession number (AC):
P12497
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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