Browse entries in the PDBbind-CN Database
HEADER 3UW5_COMPLEX COMPND 3UW5_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 90 GLY PRO ALA PHE PRO GLY MET GLY SER GLU GLU LEU ARG SEQRES 2 A 90 LEU ALA SER PHE TYR ASP TRP PRO LEU THR ALA GLU VAL SEQRES 3 A 90 PRO PRO GLU LEU LEU ALA ALA ALA GLY PHE PHE HIS THR SEQRES 4 A 90 GLY HIS GLN ASP LYS VAL ARG CYS PHE PHE CYS TYR GLY SEQRES 5 A 90 GLY LEU GLN SER TRP LYS ARG GLY ASP ASP PRO TRP THR SEQRES 6 A 90 GLU HIS ALA LYS TRP PHE PRO GLY CYS GLN PHE LEU LEU SEQRES 7 A 90 ARG SER LYS GLY GLN GLU TYR ILE ASN ASN ILE HIS HET ZN A 1 1 HET MAA A 176 70 ATOM 1 N GLY A 78 76.569 84.167 21.484 1.00 34.84 N ATOM 2 CA GLY A 78 77.032 83.452 22.709 1.00 28.02 C ATOM 3 C GLY A 78 77.023 81.943 22.547 1.00 23.84 C ATOM 4 O GLY A 78 76.695 81.434 21.475 1.00 25.61 O ATOM 5 HA3 GLY A 78 76.375 83.718 23.537 1.00 0.00 H ATOM 6 HA2 GLY A 78 78.049 83.772 22.936 1.00 0.00 H ATOM 7 HN3 GLY A 78 75.596 83.876 21.261 1.00 0.00 H ATOM 8 HN2 GLY A 78 77.194 83.928 20.688 1.00 0.00 H ATOM 9 HN1 GLY A 78 76.596 85.193 21.652 1.00 0.00 H ATOM 10 N PRO A 79 77.377 81.214 23.615 1.00 20.90 N ATOM 11 CA PRO A 79 77.375 79.749 23.543 1.00 18.92 C ATOM 12 C PRO A 79 75.974 79.160 23.420 1.00 17.62 C ATOM 13 O PRO A 79 75.018 79.714 23.962 1.00 18.21 O ATOM 14 CB PRO A 79 78.011 79.310 24.868 1.00 19.58 C ATOM 15 CG PRO A 79 78.428 80.550 25.584 1.00 23.17 C ATOM 16 CD PRO A 79 77.717 81.705 24.961 1.00 22.65 C ATOM 17 HA PRO A 79 77.909 79.402 22.659 1.00 0.00 H ATOM 18 HD3 PRO A 79 76.818 81.958 25.522 1.00 0.00 H ATOM 19 HD2 PRO A 79 78.367 82.578 24.905 1.00 0.00 H ATOM 20 HG3 PRO A 79 79.506 80.686 25.492 1.00 0.00 H ATOM 21 HG2 PRO A 79 78.161 80.476 26.638 1.00 0.00 H ATOM 22 HB2 PRO A 79 77.286 78.758 25.466 1.00 0.00 H ATOM 23 HB3 PRO A 79 78.879 78.679 24.676 1.00 0.00 H ATOM 24 N ALA A 80 75.869 78.043 22.709 1.00 16.84 N ATOM 25 CA ALA A 80 74.616 77.293 22.615 1.00 17.99 C ATOM 26 C ALA A 80 74.120 76.835 23.985 1.00 16.64 C ATOM 27 O ALA A 80 72.917 76.885 24.263 1.00 16.37 O ATOM 28 CB ALA A 80 74.799 76.087 21.699 1.00 17.91 C ATOM 29 HA ALA A 80 73.863 77.961 22.198 1.00 0.00 H ATOM 30 HB1 ALA A 80 75.090 76.428 20.705 1.00 0.00 H ATOM 31 HB2 ALA A 80 75.576 75.439 22.104 1.00 0.00 H ATOM 32 HB3 ALA A 80 73.861 75.535 21.635 1.00 0.00 H ATOM 33 H ALA A 80 76.705 77.690 22.202 1.00 0.00 H ATOM 34 N PHE A 81 75.056 76.401 24.830 1.00 15.24 N ATOM 35 CA PHE A 81 74.759 75.811 26.136 1.00 16.23 C ATOM 36 C PHE A 81 75.696 76.464 27.160 1.00 15.73 C ATOM 37 O PHE A 81 76.711 75.880 27.543 1.00 15.00 O ATOM 38 CB PHE A 81 74.979 74.293 26.063 1.00 16.41 C ATOM 39 CG PHE A 81 74.433 73.509 27.237 1.00 17.19 C ATOM 40 CD1 PHE A 81 74.153 74.100 28.466 1.00 17.35 C ATOM 41 CD2 PHE A 81 74.226 72.145 27.107 1.00 20.09 C ATOM 42 CE1 PHE A 81 73.660 73.352 29.522 1.00 18.40 C ATOM 43 CE2 PHE A 81 73.735 71.392 28.163 1.00 20.65 C ATOM 44 CZ PHE A 81 73.458 71.996 29.375 1.00 18.50 C ATOM 45 HA PHE A 81 73.724 75.984 26.431 1.00 0.00 H ATOM 46 HB2 PHE A 81 74.498 73.925 25.157 1.00 0.00 H ATOM 47 HB3 PHE A 81 76.052 74.109 26.003 1.00 0.00 H ATOM 48 HD2 PHE A 81 74.453 71.656 26.160 1.00 0.00 H ATOM 49 HE2 PHE A 81 73.567 70.322 28.037 1.00 0.00 H ATOM 50 HZ PHE A 81 73.082 71.404 30.209 1.00 0.00 H ATOM 51 HE1 PHE A 81 73.431 73.836 30.471 1.00 0.00 H ATOM 52 HD1 PHE A 81 74.324 75.168 28.599 1.00 0.00 H ATOM 53 H PHE A 81 76.053 76.487 24.545 1.00 0.00 H ATOM 54 N PRO A 82 75.353 77.684 27.609 1.00 16.71 N ATOM 55 CA PRO A 82 76.231 78.423 28.531 1.00 17.43 C ATOM 56 C PRO A 82 76.509 77.691 29.839 1.00 16.45 C ATOM 57 O PRO A 82 77.582 77.856 30.425 1.00 17.62 O ATOM 58 CB PRO A 82 75.468 79.726 28.803 1.00 19.12 C ATOM 59 CG PRO A 82 74.407 79.817 27.774 1.00 20.19 C ATOM 60 CD PRO A 82 74.168 78.459 27.204 1.00 18.09 C ATOM 61 HA PRO A 82 77.217 78.567 28.089 1.00 0.00 H ATOM 62 HD3 PRO A 82 73.259 78.021 27.617 1.00 0.00 H ATOM 63 HD2 PRO A 82 74.088 78.504 26.118 1.00 0.00 H ATOM 64 HG3 PRO A 82 74.722 80.496 26.982 1.00 0.00 H ATOM 65 HG2 PRO A 82 73.489 80.191 28.227 1.00 0.00 H ATOM 66 HB2 PRO A 82 75.026 79.702 29.799 1.00 0.00 H ATOM 67 HB3 PRO A 82 76.141 80.580 28.726 1.00 0.00 H ATOM 68 N GLY A 83 75.557 76.876 30.280 1.00 16.31 N ATOM 69 CA GLY A 83 75.705 76.078 31.493 1.00 16.61 C ATOM 70 C GLY A 83 76.854 75.084 31.477 1.00 16.02 C ATOM 71 O GLY A 83 77.284 74.621 32.531 1.00 17.92 O ATOM 72 HA3 GLY A 83 74.780 75.522 31.646 1.00 0.00 H ATOM 73 HA2 GLY A 83 75.860 76.760 32.329 1.00 0.00 H ATOM 74 H GLY A 83 74.671 76.804 29.740 1.00 0.00 H ATOM 75 N MET A 84 77.352 74.749 30.287 1.00 15.36 N ATOM 76 CA MET A 84 78.509 73.868 30.159 1.00 15.20 C ATOM 77 C MET A 84 79.782 74.630 29.762 1.00 14.27 C ATOM 78 O MET A 84 80.738 74.033 29.276 1.00 14.70 O ATOM 79 CB MET A 84 78.207 72.732 29.168 1.00 15.52 C ATOM 80 CG MET A 84 77.417 71.571 29.773 1.00 17.54 C ATOM 81 SD MET A 84 78.326 70.692 31.059 1.00 18.02 S ATOM 82 CE MET A 84 77.295 71.048 32.483 1.00 19.08 C ATOM 83 HA MET A 84 78.702 73.434 31.140 1.00 0.00 H ATOM 84 HB2 MET A 84 77.631 73.144 28.340 1.00 0.00 H ATOM 85 HB3 MET A 84 79.154 72.344 28.793 1.00 0.00 H ATOM 86 HG2 MET A 84 77.171 70.867 28.978 1.00 0.00 H ATOM 87 HG3 MET A 84 76.497 71.965 30.205 1.00 0.00 H ATOM 88 HE1 MET A 84 77.248 72.126 32.635 1.00 0.00 H ATOM 89 HE2 MET A 84 76.291 70.660 32.309 1.00 0.00 H ATOM 90 HE3 MET A 84 77.722 70.573 33.367 1.00 0.00 H ATOM 91 H MET A 84 76.905 75.125 29.427 1.00 0.00 H ATOM 92 N GLY A 85 79.804 75.938 30.012 1.00 15.25 N ATOM 93 CA GLY A 85 80.984 76.760 29.756 1.00 16.18 C ATOM 94 C GLY A 85 82.175 76.458 30.653 1.00 17.51 C ATOM 95 O GLY A 85 83.320 76.718 30.274 1.00 20.15 O ATOM 96 HA3 GLY A 85 80.708 77.805 29.898 1.00 0.00 H ATOM 97 HA2 GLY A 85 81.289 76.604 28.721 1.00 0.00 H ATOM 98 H GLY A 85 78.952 76.389 30.403 1.00 0.00 H ATOM 99 N SER A 86 81.912 75.905 31.832 1.00 15.96 N ATOM 100 CA SER A 86 82.968 75.538 32.780 1.00 16.76 C ATOM 101 C SER A 86 83.637 74.225 32.391 1.00 15.36 C ATOM 102 O SER A 86 82.975 73.197 32.304 1.00 14.35 O ATOM 103 CB SER A 86 82.389 75.398 34.188 1.00 18.41 C ATOM 104 OG SER A 86 83.280 74.697 35.042 1.00 18.85 O ATOM 105 HA SER A 86 83.714 76.332 32.759 1.00 0.00 H ATOM 106 HB2 SER A 86 81.447 74.853 34.133 1.00 0.00 H ATOM 107 HB3 SER A 86 82.209 76.391 34.599 1.00 0.00 H ATOM 108 HG SER A 86 82.880 74.622 35.944 1.00 0.00 H ATOM 109 H SER A 86 80.921 75.726 32.092 1.00 0.00 H ATOM 110 N GLU A 87 84.953 74.254 32.184 1.00 15.35 N ATOM 111 CA GLU A 87 85.695 73.028 31.859 1.00 16.03 C ATOM 112 C GLU A 87 85.522 71.951 32.932 1.00 14.46 C ATOM 113 O GLU A 87 85.383 70.766 32.616 1.00 13.50 O ATOM 114 CB GLU A 87 87.184 73.327 31.650 1.00 17.64 C ATOM 115 CG GLU A 87 87.994 72.142 31.131 1.00 17.12 C ATOM 116 CD GLU A 87 89.438 72.499 30.800 1.00 23.81 C ATOM 117 OE1 GLU A 87 89.781 73.700 30.769 1.00 30.83 O ATOM 118 OE2 GLU A 87 90.241 71.572 30.564 1.00 25.92 O ATOM 119 HA GLU A 87 85.277 72.643 30.929 1.00 0.00 H ATOM 120 HB2 GLU A 87 87.272 74.142 30.932 1.00 0.00 H ATOM 121 HB3 GLU A 87 87.607 73.639 32.605 1.00 0.00 H ATOM 122 HG2 GLU A 87 87.996 71.363 31.893 1.00 0.00 H ATOM 123 HG3 GLU A 87 87.515 71.764 30.228 1.00 0.00 H ATOM 124 H GLU A 87 85.463 75.158 32.253 1.00 0.00 H ATOM 125 N GLU A 88 85.508 72.355 34.200 1.00 15.03 N ATOM 126 CA GLU A 88 85.346 71.391 35.289 1.00 14.98 C ATOM 127 C GLU A 88 83.984 70.692 35.243 1.00 13.18 C ATOM 128 O GLU A 88 83.907 69.480 35.475 1.00 14.01 O ATOM 129 CB GLU A 88 85.565 72.063 36.646 1.00 16.48 C ATOM 130 CG GLU A 88 85.519 71.115 37.833 1.00 16.46 C ATOM 131 CD GLU A 88 86.768 70.269 38.021 1.00 20.59 C ATOM 132 OE1 GLU A 88 86.856 69.616 39.083 1.00 23.01 O ATOM 133 OE2 GLU A 88 87.656 70.241 37.139 1.00 22.10 O ATOM 134 HA GLU A 88 86.107 70.623 35.154 1.00 0.00 H ATOM 135 HB2 GLU A 88 86.542 72.546 36.633 1.00 0.00 H ATOM 136 HB3 GLU A 88 84.790 72.817 36.782 1.00 0.00 H ATOM 137 HG2 GLU A 88 85.372 71.708 38.736 1.00 0.00 H ATOM 138 HG3 GLU A 88 84.671 70.443 37.698 1.00 0.00 H ATOM 139 H GLU A 88 85.613 73.366 34.419 1.00 0.00 H ATOM 140 N LEU A 89 82.916 71.437 34.947 1.00 13.88 N ATOM 141 CA LEU A 89 81.588 70.832 34.792 1.00 13.62 C ATOM 142 C LEU A 89 81.573 69.865 33.607 1.00 14.13 C ATOM 143 O LEU A 89 81.015 68.770 33.694 1.00 14.06 O ATOM 144 CB LEU A 89 80.491 71.893 34.614 1.00 15.11 C ATOM 145 CG LEU A 89 80.202 72.861 35.765 1.00 17.60 C ATOM 146 CD1 LEU A 89 78.898 73.614 35.499 1.00 16.99 C ATOM 147 CD2 LEU A 89 80.138 72.155 37.105 1.00 18.29 C ATOM 148 HA LEU A 89 81.376 70.282 35.709 1.00 0.00 H ATOM 149 HB2 LEU A 89 80.767 72.497 33.750 1.00 0.00 H ATOM 150 HB3 LEU A 89 79.563 71.361 34.402 1.00 0.00 H ATOM 151 HG LEU A 89 81.029 73.570 35.814 1.00 0.00 H ATOM 152 HD21 LEU A 89 79.345 71.408 37.083 1.00 0.00 H ATOM 153 HD22 LEU A 89 81.093 71.668 37.303 1.00 0.00 H ATOM 154 HD23 LEU A 89 79.931 72.884 37.889 1.00 0.00 H ATOM 155 HD11 LEU A 89 78.988 74.177 34.570 1.00 0.00 H ATOM 156 HD12 LEU A 89 78.078 72.900 35.415 1.00 0.00 H ATOM 157 HD13 LEU A 89 78.701 74.300 36.323 1.00 0.00 H ATOM 158 H LEU A 89 83.027 72.464 34.824 1.00 0.00 H ATOM 159 N ARG A 90 82.210 70.253 32.506 1.00 14.09 N ATOM 160 CA ARG A 90 82.310 69.356 31.360 1.00 13.37 C ATOM 161 C ARG A 90 83.062 68.081 31.749 1.00 13.47 C ATOM 162 O ARG A 90 82.640 66.981 31.404 1.00 14.52 O ATOM 163 CB ARG A 90 82.985 70.042 30.168 1.00 13.33 C ATOM 164 CG ARG A 90 82.187 71.210 29.609 1.00 13.11 C ATOM 165 CD ARG A 90 82.635 71.621 28.215 1.00 13.55 C ATOM 166 NE ARG A 90 84.026 72.074 28.159 1.00 14.20 N ATOM 167 CZ ARG A 90 84.457 73.309 28.424 1.00 14.65 C ATOM 168 NH1 ARG A 90 83.622 74.270 28.793 1.00 14.86 N ATOM 169 NH2 ARG A 90 85.755 73.588 28.328 1.00 14.64 N ATOM 170 HA ARG A 90 81.299 69.087 31.054 1.00 0.00 H ATOM 171 HB2 ARG A 90 83.959 70.411 30.488 1.00 0.00 H ATOM 172 HB3 ARG A 90 83.119 69.305 29.376 1.00 0.00 H ATOM 173 HG2 ARG A 90 81.136 70.925 29.567 1.00 0.00 H ATOM 174 HG3 ARG A 90 82.304 72.063 30.278 1.00 0.00 H ATOM 175 HD2 ARG A 90 81.993 72.432 27.871 1.00 0.00 H ATOM 176 HD3 ARG A 90 82.524 70.765 27.550 1.00 0.00 H ATOM 177 HE ARG A 90 84.742 71.370 27.888 1.00 0.00 H ATOM 178 HH12 ARG A 90 83.984 75.224 28.994 1.00 0.00 H ATOM 179 HH11 ARG A 90 82.605 74.070 28.882 1.00 0.00 H ATOM 180 HH22 ARG A 90 86.097 74.548 28.533 1.00 0.00 H ATOM 181 HH21 ARG A 90 86.427 72.845 28.048 1.00 0.00 H ATOM 182 H ARG A 90 82.639 71.200 32.462 1.00 0.00 H ATOM 183 N LEU A 91 84.162 68.221 32.481 1.00 13.28 N ATOM 184 CA LEU A 91 84.946 67.060 32.870 1.00 13.24 C ATOM 185 C LEU A 91 84.118 66.108 33.740 1.00 13.51 C ATOM 186 O LEU A 91 84.168 64.895 33.548 1.00 13.70 O ATOM 187 CB LEU A 91 86.224 67.480 33.594 1.00 13.47 C ATOM 188 CG LEU A 91 87.180 66.359 33.995 1.00 14.34 C ATOM 189 CD1 LEU A 91 87.574 65.510 32.789 1.00 14.75 C ATOM 190 CD2 LEU A 91 88.401 66.967 34.667 1.00 15.72 C ATOM 191 HA LEU A 91 85.231 66.529 31.962 1.00 0.00 H ATOM 192 HB2 LEU A 91 86.768 68.161 32.939 1.00 0.00 H ATOM 193 HB3 LEU A 91 85.932 68.007 34.502 1.00 0.00 H ATOM 194 HG LEU A 91 86.679 65.694 34.698 1.00 0.00 H ATOM 195 HD21 LEU A 91 88.898 67.644 33.972 1.00 0.00 H ATOM 196 HD22 LEU A 91 88.089 67.520 35.553 1.00 0.00 H ATOM 197 HD23 LEU A 91 89.088 66.172 34.956 1.00 0.00 H ATOM 198 HD11 LEU A 91 86.680 65.065 32.352 1.00 0.00 H ATOM 199 HD12 LEU A 91 88.067 66.140 32.049 1.00 0.00 H ATOM 200 HD13 LEU A 91 88.255 64.721 33.109 1.00 0.00 H ATOM 201 H LEU A 91 84.465 69.170 32.779 1.00 0.00 H ATOM 202 N ALA A 92 83.350 66.668 34.673 1.00 13.35 N ATOM 203 CA ALA A 92 82.507 65.862 35.562 1.00 13.97 C ATOM 204 C ALA A 92 81.506 65.002 34.792 1.00 14.34 C ATOM 205 O ALA A 92 81.173 63.900 35.232 1.00 15.25 O ATOM 206 CB ALA A 92 81.779 66.751 36.567 1.00 15.64 C ATOM 207 HA ALA A 92 83.170 65.185 36.100 1.00 0.00 H ATOM 208 HB1 ALA A 92 82.510 67.292 37.168 1.00 0.00 H ATOM 209 HB2 ALA A 92 81.149 67.462 36.032 1.00 0.00 H ATOM 210 HB3 ALA A 92 81.160 66.132 37.216 1.00 0.00 H ATOM 211 H ALA A 92 83.348 67.703 34.774 1.00 0.00 H ATOM 212 N SER A 93 81.053 65.486 33.630 1.00 14.72 N ATOM 213 CA SER A 93 80.074 64.761 32.815 1.00 14.33 C ATOM 214 C SER A 93 80.625 63.444 32.261 1.00 13.97 C ATOM 215 O SER A 93 79.853 62.592 31.831 1.00 15.15 O ATOM 216 CB SER A 93 79.564 65.634 31.656 1.00 14.69 C ATOM 217 OG SER A 93 80.504 65.703 30.599 1.00 14.66 O ATOM 218 HA SER A 93 79.245 64.520 33.481 1.00 0.00 H ATOM 219 HB2 SER A 93 79.376 66.641 32.028 1.00 0.00 H ATOM 220 HB3 SER A 93 78.635 65.209 31.276 1.00 0.00 H ATOM 221 HG SER A 93 81.349 66.094 30.936 1.00 0.00 H ATOM 222 H SER A 93 81.406 66.405 33.295 1.00 0.00 H ATOM 223 N PHE A 94 81.949 63.282 32.276 1.00 14.24 N ATOM 224 CA PHE A 94 82.602 62.072 31.767 1.00 13.99 C ATOM 225 C PHE A 94 82.807 60.987 32.831 1.00 15.35 C ATOM 226 O PHE A 94 83.584 60.058 32.621 1.00 17.21 O ATOM 227 CB PHE A 94 83.934 62.434 31.097 1.00 13.24 C ATOM 228 CG PHE A 94 83.762 63.196 29.820 1.00 14.30 C ATOM 229 CD1 PHE A 94 83.461 62.530 28.643 1.00 14.00 C ATOM 230 CD2 PHE A 94 83.849 64.576 29.802 1.00 14.33 C ATOM 231 CE1 PHE A 94 83.267 63.228 27.464 1.00 14.40 C ATOM 232 CE2 PHE A 94 83.663 65.281 28.624 1.00 14.02 C ATOM 233 CZ PHE A 94 83.367 64.606 27.460 1.00 13.25 C ATOM 234 HA PHE A 94 81.924 61.641 31.030 1.00 0.00 H ATOM 235 HB2 PHE A 94 84.516 63.043 31.789 1.00 0.00 H ATOM 236 HB3 PHE A 94 84.476 61.513 30.881 1.00 0.00 H ATOM 237 HD2 PHE A 94 84.066 65.115 30.724 1.00 0.00 H ATOM 238 HE2 PHE A 94 83.751 66.367 28.618 1.00 0.00 H ATOM 239 HZ PHE A 94 83.211 65.160 26.534 1.00 0.00 H ATOM 240 HE1 PHE A 94 83.036 62.693 26.543 1.00 0.00 H ATOM 241 HD1 PHE A 94 83.376 61.443 28.646 1.00 0.00 H ATOM 242 H PHE A 94 82.541 64.044 32.664 1.00 0.00 H ATOM 243 N TYR A 95 82.096 61.080 33.955 1.00 16.78 N ATOM 244 CA TYR A 95 82.241 60.071 35.015 1.00 16.87 C ATOM 245 C TYR A 95 81.907 58.667 34.511 1.00 16.04 C ATOM 246 O TYR A 95 82.468 57.692 35.003 1.00 19.65 O ATOM 247 CB TYR A 95 81.389 60.416 36.240 1.00 17.27 C ATOM 248 CG TYR A 95 79.902 60.259 36.047 1.00 17.81 C ATOM 249 CD1 TYR A 95 79.267 59.046 36.313 1.00 18.41 C ATOM 250 CD2 TYR A 95 79.121 61.328 35.627 1.00 20.81 C ATOM 251 CE1 TYR A 95 77.907 58.901 36.144 1.00 18.22 C ATOM 252 CE2 TYR A 95 77.754 61.192 35.463 1.00 22.35 C ATOM 253 CZ TYR A 95 77.155 59.975 35.717 1.00 23.03 C ATOM 254 OH TYR A 95 75.795 59.846 35.551 1.00 27.12 O ATOM 255 HA TYR A 95 83.289 60.079 35.316 1.00 0.00 H ATOM 256 HB3 TYR A 95 81.588 61.453 36.509 1.00 0.00 H ATOM 257 HB2 TYR A 95 81.695 59.765 37.059 1.00 0.00 H ATOM 258 HD2 TYR A 95 79.593 62.289 35.423 1.00 0.00 H ATOM 259 HE2 TYR A 95 77.154 62.041 35.135 1.00 0.00 H ATOM 260 HE1 TYR A 95 77.429 57.943 36.347 1.00 0.00 H ATOM 261 HD1 TYR A 95 79.857 58.198 36.661 1.00 0.00 H ATOM 262 HH TYR A 95 75.329 60.480 36.152 1.00 0.00 H ATOM 263 H TYR A 95 81.434 61.872 34.083 1.00 0.00 H ATOM 264 N ASP A 96 81.014 58.583 33.521 1.00 17.56 N ATOM 265 CA ASP A 96 80.581 57.314 32.924 1.00 17.94 C ATOM 266 C ASP A 96 81.022 57.166 31.459 1.00 18.19 C ATOM 267 O ASP A 96 80.390 56.457 30.684 1.00 18.11 O ATOM 268 CB ASP A 96 79.053 57.179 33.024 1.00 20.11 C ATOM 269 CG ASP A 96 78.303 58.341 32.373 1.00 23.12 C ATOM 270 OD1 ASP A 96 78.945 59.322 31.911 1.00 22.48 O ATOM 271 OD2 ASP A 96 77.052 58.274 32.342 1.00 27.90 O ATOM 272 HA ASP A 96 81.064 56.516 33.488 1.00 0.00 H ATOM 273 HB2 ASP A 96 78.754 56.254 32.532 1.00 0.00 H ATOM 274 HB3 ASP A 96 78.777 57.135 34.078 1.00 0.00 H ATOM 275 H ASP A 96 80.603 59.465 33.153 1.00 0.00 H ATOM 276 N TRP A 97 82.102 57.849 31.091 1.00 16.63 N ATOM 277 CA TRP A 97 82.675 57.749 29.750 1.00 16.23 C ATOM 278 C TRP A 97 83.192 56.349 29.523 1.00 17.20 C ATOM 279 O TRP A 97 83.926 55.830 30.364 1.00 19.03 O ATOM 280 CB TRP A 97 83.809 58.756 29.632 1.00 15.25 C ATOM 281 CG TRP A 97 84.466 58.843 28.279 1.00 15.07 C ATOM 282 CD1 TRP A 97 85.797 58.579 27.969 1.00 15.01 C ATOM 283 CD2 TRP A 97 83.856 59.247 27.008 1.00 14.49 C ATOM 284 NE1 TRP A 97 86.041 58.783 26.639 1.00 15.62 N ATOM 285 CE2 TRP A 97 84.922 59.186 26.005 1.00 15.34 C ATOM 286 CE3 TRP A 97 82.586 59.645 26.617 1.00 14.29 C ATOM 287 CZ2 TRP A 97 84.696 59.498 24.675 1.00 15.44 C ATOM 288 CZ3 TRP A 97 82.371 59.961 25.276 1.00 15.47 C ATOM 289 CH2 TRP A 97 83.402 59.891 24.327 1.00 16.28 C ATOM 290 HA TRP A 97 81.916 57.964 28.998 1.00 0.00 H ATOM 291 HB2 TRP A 97 83.410 59.741 29.875 1.00 0.00 H ATOM 292 HB3 TRP A 97 84.574 58.486 30.360 1.00 0.00 H ATOM 293 HE1 TRP A 97 86.964 58.646 26.180 1.00 0.00 H ATOM 294 HD1 TRP A 97 86.546 58.253 28.691 1.00 0.00 H ATOM 295 HZ2 TRP A 97 85.492 59.439 23.933 1.00 0.00 H ATOM 296 HH2 TRP A 97 83.187 60.150 23.290 1.00 0.00 H ATOM 297 HZ3 TRP A 97 81.376 60.271 24.957 1.00 0.00 H ATOM 298 HE3 TRP A 97 81.774 59.709 27.342 1.00 0.00 H ATOM 299 H TRP A 97 82.556 58.478 31.784 1.00 0.00 H ATOM 300 N PRO A 98 82.816 55.708 28.398 1.00 17.25 N ATOM 301 CA PRO A 98 83.227 54.320 28.157 1.00 18.21 C ATOM 302 C PRO A 98 84.593 54.124 27.486 1.00 18.04 C ATOM 303 O PRO A 98 85.004 52.977 27.282 1.00 19.75 O ATOM 304 CB PRO A 98 82.127 53.802 27.228 1.00 20.05 C ATOM 305 CG PRO A 98 81.725 55.002 26.449 1.00 19.25 C ATOM 306 CD PRO A 98 81.832 56.161 27.396 1.00 17.24 C ATOM 307 HA PRO A 98 83.345 53.802 29.109 1.00 0.00 H ATOM 308 HD3 PRO A 98 82.186 57.053 26.880 1.00 0.00 H ATOM 309 HD2 PRO A 98 80.870 56.371 27.863 1.00 0.00 H ATOM 310 HG3 PRO A 98 80.701 54.897 26.092 1.00 0.00 H ATOM 311 HG2 PRO A 98 82.392 55.144 25.599 1.00 0.00 H ATOM 312 HB2 PRO A 98 82.510 53.022 26.570 1.00 0.00 H ATOM 313 HB3 PRO A 98 81.286 53.412 27.801 1.00 0.00 H ATOM 314 N LEU A 99 85.271 55.217 27.134 1.00 17.57 N ATOM 315 CA LEU A 99 86.512 55.152 26.348 1.00 18.05 C ATOM 316 C LEU A 99 87.663 55.913 27.017 1.00 17.50 C ATOM 317 O LEU A 99 88.441 56.590 26.346 1.00 18.05 O ATOM 318 CB LEU A 99 86.265 55.707 24.941 1.00 19.11 C ATOM 319 CG LEU A 99 85.311 54.913 24.049 1.00 20.42 C ATOM 320 CD1 LEU A 99 85.083 55.639 22.725 1.00 21.17 C ATOM 321 CD2 LEU A 99 85.848 53.511 23.818 1.00 22.59 C ATOM 322 HA LEU A 99 86.807 54.105 26.287 1.00 0.00 H ATOM 323 HB2 LEU A 99 85.858 56.712 25.049 1.00 0.00 H ATOM 324 HB3 LEU A 99 87.228 55.759 24.432 1.00 0.00 H ATOM 325 HG LEU A 99 84.349 54.829 24.555 1.00 0.00 H ATOM 326 HD21 LEU A 99 86.822 53.572 23.332 1.00 0.00 H ATOM 327 HD22 LEU A 99 85.949 53.000 24.775 1.00 0.00 H ATOM 328 HD23 LEU A 99 85.157 52.959 23.181 1.00 0.00 H ATOM 329 HD11 LEU A 99 84.650 56.620 22.920 1.00 0.00 H ATOM 330 HD12 LEU A 99 86.035 55.757 22.208 1.00 0.00 H ATOM 331 HD13 LEU A 99 84.401 55.057 22.105 1.00 0.00 H ATOM 332 H LEU A 99 84.910 56.148 27.425 1.00 0.00 H ATOM 333 N THR A 100 87.793 55.782 28.333 1.00 17.95 N ATOM 334 CA THR A 100 88.756 56.593 29.082 1.00 18.53 C ATOM 335 C THR A 100 90.192 56.440 28.574 1.00 18.32 C ATOM 336 O THR A 100 90.856 57.438 28.324 1.00 18.28 O ATOM 337 CB THR A 100 88.675 56.323 30.595 1.00 24.48 C ATOM 338 OG1 THR A 100 87.403 56.770 31.072 1.00 28.09 O ATOM 339 CG2 THR A 100 89.770 57.073 31.343 1.00 24.79 C ATOM 340 HA THR A 100 88.471 57.630 28.907 1.00 0.00 H ATOM 341 HB THR A 100 88.804 55.255 30.768 1.00 0.00 H ATOM 342 HG1 THR A 100 86.684 56.277 30.603 1.00 0.00 H ATOM 343 HG23 THR A 100 90.745 56.740 30.987 1.00 0.00 H ATOM 344 HG21 THR A 100 89.663 58.143 31.165 1.00 0.00 H ATOM 345 HG22 THR A 100 89.683 56.871 32.411 1.00 0.00 H ATOM 346 H THR A 100 87.202 55.093 28.839 1.00 0.00 H ATOM 347 N ALA A 101 90.655 55.207 28.392 1.00 19.47 N ATOM 348 CA ALA A 101 92.017 54.975 27.899 1.00 21.33 C ATOM 349 C ALA A 101 92.191 55.417 26.444 1.00 23.28 C ATOM 350 O ALA A 101 93.262 55.875 26.054 1.00 27.41 O ATOM 351 CB ALA A 101 92.396 53.507 28.052 1.00 22.89 C ATOM 352 HA ALA A 101 92.686 55.585 28.506 1.00 0.00 H ATOM 353 HB1 ALA A 101 92.347 53.228 29.105 1.00 0.00 H ATOM 354 HB2 ALA A 101 91.702 52.892 27.479 1.00 0.00 H ATOM 355 HB3 ALA A 101 93.409 53.354 27.681 1.00 0.00 H ATOM 356 H ALA A 101 90.042 54.394 28.603 1.00 0.00 H ATOM 357 N GLU A 102 91.125 55.297 25.658 1.00 20.09 N ATOM 358 CA GLU A 102 91.179 55.522 24.216 1.00 21.61 C ATOM 359 C GLU A 102 91.099 57.003 23.833 1.00 18.82 C ATOM 360 O GLU A 102 91.793 57.453 22.913 1.00 19.25 O ATOM 361 CB GLU A 102 90.047 54.745 23.531 1.00 24.00 C ATOM 362 CG GLU A 102 90.196 53.227 23.589 1.00 26.52 C ATOM 363 CD GLU A 102 89.734 52.600 24.901 1.00 28.60 C ATOM 364 OE1 GLU A 102 89.988 51.393 25.092 1.00 37.42 O ATOM 365 OE2 GLU A 102 89.124 53.289 25.743 1.00 24.23 O ATOM 366 HA GLU A 102 92.150 55.162 23.875 1.00 0.00 H ATOM 367 HB2 GLU A 102 89.108 55.014 24.015 1.00 0.00 H ATOM 368 HB3 GLU A 102 90.014 55.044 22.483 1.00 0.00 H ATOM 369 HG2 GLU A 102 89.609 52.795 22.779 1.00 0.00 H ATOM 370 HG3 GLU A 102 91.248 52.981 23.445 1.00 0.00 H ATOM 371 H GLU A 102 90.216 55.032 26.088 1.00 0.00 H ATOM 372 N VAL A 103 90.227 57.741 24.516 1.00 17.45 N ATOM 373 CA VAL A 103 90.038 59.176 24.283 1.00 17.33 C ATOM 374 C VAL A 103 89.833 59.834 25.652 1.00 16.91 C ATOM 375 O VAL A 103 88.747 59.734 26.241 1.00 15.90 O ATOM 376 CB VAL A 103 88.832 59.468 23.358 1.00 19.39 C ATOM 377 CG1 VAL A 103 88.721 60.964 23.069 1.00 18.38 C ATOM 378 CG2 VAL A 103 88.941 58.689 22.054 1.00 19.64 C ATOM 379 HA VAL A 103 90.914 59.579 23.775 1.00 0.00 H ATOM 380 HB VAL A 103 87.930 59.144 23.877 1.00 0.00 H ATOM 381 HG11 VAL A 103 88.586 61.505 24.006 1.00 0.00 H ATOM 382 HG12 VAL A 103 89.632 61.307 22.579 1.00 0.00 H ATOM 383 HG13 VAL A 103 87.866 61.144 22.417 1.00 0.00 H ATOM 384 HG21 VAL A 103 89.856 58.976 21.536 1.00 0.00 H ATOM 385 HG22 VAL A 103 88.965 57.621 22.271 1.00 0.00 H ATOM 386 HG23 VAL A 103 88.080 58.914 21.425 1.00 0.00 H ATOM 387 H VAL A 103 89.653 57.278 25.249 1.00 0.00 H ATOM 388 N PRO A 104 90.882 60.488 26.188 1.00 17.03 N ATOM 389 CA PRO A 104 90.808 61.001 27.565 1.00 16.37 C ATOM 390 C PRO A 104 89.735 62.066 27.800 1.00 15.74 C ATOM 391 O PRO A 104 89.657 63.038 27.042 1.00 15.06 O ATOM 392 CB PRO A 104 92.195 61.619 27.795 1.00 18.13 C ATOM 393 CG PRO A 104 93.067 61.025 26.764 1.00 19.29 C ATOM 394 CD PRO A 104 92.193 60.754 25.578 1.00 18.74 C ATOM 395 HA PRO A 104 90.537 60.194 28.246 1.00 0.00 H ATOM 396 HD3 PRO A 104 92.150 61.619 24.917 1.00 0.00 H ATOM 397 HD2 PRO A 104 92.548 59.889 25.019 1.00 0.00 H ATOM 398 HG3 PRO A 104 93.506 60.097 27.130 1.00 0.00 H ATOM 399 HG2 PRO A 104 93.862 61.720 26.496 1.00 0.00 H ATOM 400 HB2 PRO A 104 92.153 62.702 27.681 1.00 0.00 H ATOM 401 HB3 PRO A 104 92.561 61.373 28.792 1.00 0.00 H ATOM 402 N PRO A 105 88.919 61.892 28.852 1.00 14.33 N ATOM 403 CA PRO A 105 87.974 62.926 29.276 1.00 14.05 C ATOM 404 C PRO A 105 88.604 64.306 29.457 1.00 14.04 C ATOM 405 O PRO A 105 87.974 65.313 29.134 1.00 14.98 O ATOM 406 CB PRO A 105 87.468 62.395 30.612 1.00 15.92 C ATOM 407 CG PRO A 105 87.503 60.914 30.441 1.00 16.80 C ATOM 408 CD PRO A 105 88.731 60.642 29.619 1.00 15.87 C ATOM 409 HA PRO A 105 87.201 63.087 28.525 1.00 0.00 H ATOM 410 HD3 PRO A 105 89.592 60.444 30.258 1.00 0.00 H ATOM 411 HD2 PRO A 105 88.573 59.795 28.951 1.00 0.00 H ATOM 412 HG3 PRO A 105 86.610 60.568 29.921 1.00 0.00 H ATOM 413 HG2 PRO A 105 87.573 60.419 31.409 1.00 0.00 H ATOM 414 HB2 PRO A 105 88.121 62.708 31.427 1.00 0.00 H ATOM 415 HB3 PRO A 105 86.453 62.740 30.808 1.00 0.00 H ATOM 416 N GLU A 106 89.829 64.352 29.973 1.00 14.99 N ATOM 417 CA GLU A 106 90.527 65.619 30.175 1.00 15.34 C ATOM 418 C GLU A 106 90.678 66.387 28.858 1.00 15.90 C ATOM 419 O GLU A 106 90.476 67.602 28.815 1.00 16.69 O ATOM 420 CB GLU A 106 91.906 65.390 30.801 1.00 17.51 C ATOM 421 CG GLU A 106 91.870 64.946 32.261 1.00 18.96 C ATOM 422 CD GLU A 106 91.559 63.469 32.456 1.00 23.80 C ATOM 423 OE1 GLU A 106 91.333 63.073 33.618 1.00 27.78 O ATOM 424 OE2 GLU A 106 91.529 62.702 31.466 1.00 20.70 O ATOM 425 HA GLU A 106 89.923 66.217 30.858 1.00 0.00 H ATOM 426 HB2 GLU A 106 92.420 64.622 30.223 1.00 0.00 H ATOM 427 HB3 GLU A 106 92.467 66.323 30.742 1.00 0.00 H ATOM 428 HG2 GLU A 106 92.844 65.152 32.706 1.00 0.00 H ATOM 429 HG3 GLU A 106 91.106 65.528 32.777 1.00 0.00 H ATOM 430 H GLU A 106 90.301 63.464 30.239 1.00 0.00 H ATOM 431 N LEU A 107 91.037 65.679 27.789 1.00 15.41 N ATOM 432 CA LEU A 107 91.181 66.302 26.469 1.00 15.88 C ATOM 433 C LEU A 107 89.830 66.682 25.867 1.00 14.93 C ATOM 434 O LEU A 107 89.693 67.742 25.259 1.00 15.38 O ATOM 435 CB LEU A 107 91.936 65.387 25.496 1.00 18.35 C ATOM 436 CG LEU A 107 93.427 65.184 25.763 1.00 20.74 C ATOM 437 CD1 LEU A 107 94.041 64.362 24.638 1.00 24.07 C ATOM 438 CD2 LEU A 107 94.140 66.519 25.899 1.00 25.78 C ATOM 439 HA LEU A 107 91.760 67.213 26.620 1.00 0.00 H ATOM 440 HB2 LEU A 107 91.458 64.408 25.525 1.00 0.00 H ATOM 441 HB3 LEU A 107 91.834 65.810 24.497 1.00 0.00 H ATOM 442 HG LEU A 107 93.545 64.646 26.704 1.00 0.00 H ATOM 443 HD21 LEU A 107 94.023 67.088 24.977 1.00 0.00 H ATOM 444 HD22 LEU A 107 93.708 67.078 26.729 1.00 0.00 H ATOM 445 HD23 LEU A 107 95.199 66.346 26.089 1.00 0.00 H ATOM 446 HD11 LEU A 107 93.547 63.392 24.587 1.00 0.00 H ATOM 447 HD12 LEU A 107 93.910 64.888 23.692 1.00 0.00 H ATOM 448 HD13 LEU A 107 95.104 64.220 24.832 1.00 0.00 H ATOM 449 H LEU A 107 91.220 64.660 27.892 1.00 0.00 H ATOM 450 N LEU A 108 88.840 65.809 26.023 1.00 13.99 N ATOM 451 CA LEU A 108 87.488 66.107 25.547 1.00 13.52 C ATOM 452 C LEU A 108 86.932 67.381 26.195 1.00 12.85 C ATOM 453 O LEU A 108 86.463 68.285 25.496 1.00 12.82 O ATOM 454 CB LEU A 108 86.553 64.922 25.802 1.00 13.95 C ATOM 455 CG LEU A 108 86.794 63.715 24.890 1.00 14.00 C ATOM 456 CD1 LEU A 108 86.307 62.425 25.548 1.00 14.18 C ATOM 457 CD2 LEU A 108 86.149 63.918 23.521 1.00 15.43 C ATOM 458 HA LEU A 108 87.547 66.280 24.472 1.00 0.00 H ATOM 459 HB2 LEU A 108 86.685 64.600 26.835 1.00 0.00 H ATOM 460 HB3 LEU A 108 85.527 65.260 25.656 1.00 0.00 H ATOM 461 HG LEU A 108 87.869 63.623 24.735 1.00 0.00 H ATOM 462 HD21 LEU A 108 85.074 64.052 23.643 1.00 0.00 H ATOM 463 HD22 LEU A 108 86.575 64.802 23.047 1.00 0.00 H ATOM 464 HD23 LEU A 108 86.339 63.044 22.898 1.00 0.00 H ATOM 465 HD11 LEU A 108 86.845 62.270 26.483 1.00 0.00 H ATOM 466 HD12 LEU A 108 85.239 62.503 25.751 1.00 0.00 H ATOM 467 HD13 LEU A 108 86.491 61.585 24.878 1.00 0.00 H ATOM 468 H LEU A 108 89.029 64.900 26.491 1.00 0.00 H ATOM 469 N ALA A 109 87.012 67.462 27.523 1.00 12.43 N ATOM 470 CA ALA A 109 86.494 68.619 28.255 1.00 13.30 C ATOM 471 C ALA A 109 87.244 69.894 27.881 1.00 12.68 C ATOM 472 O ALA A 109 86.632 70.948 27.688 1.00 12.71 O ATOM 473 CB ALA A 109 86.559 68.377 29.765 1.00 12.66 C ATOM 474 HA ALA A 109 85.450 68.752 27.971 1.00 0.00 H ATOM 475 HB1 ALA A 109 85.960 67.502 30.018 1.00 0.00 H ATOM 476 HB2 ALA A 109 87.594 68.207 30.060 1.00 0.00 H ATOM 477 HB3 ALA A 109 86.169 69.250 30.289 1.00 0.00 H ATOM 478 H ALA A 109 87.454 66.683 28.053 1.00 0.00 H ATOM 479 N ALA A 110 88.567 69.792 27.760 1.00 13.77 N ATOM 480 CA ALA A 110 89.395 70.932 27.375 1.00 13.93 C ATOM 481 C ALA A 110 89.002 71.466 26.000 1.00 14.46 C ATOM 482 O ALA A 110 89.027 72.674 25.767 1.00 15.40 O ATOM 483 CB ALA A 110 90.873 70.548 27.396 1.00 14.69 C ATOM 484 HA ALA A 110 89.228 71.727 28.102 1.00 0.00 H ATOM 485 HB1 ALA A 110 91.150 70.231 28.401 1.00 0.00 H ATOM 486 HB2 ALA A 110 91.045 69.731 26.695 1.00 0.00 H ATOM 487 HB3 ALA A 110 91.475 71.409 27.107 1.00 0.00 H ATOM 488 H ALA A 110 89.023 68.876 27.945 1.00 0.00 H ATOM 489 N ALA A 111 88.614 70.556 25.109 1.00 13.96 N ATOM 490 CA ALA A 111 88.211 70.896 23.752 1.00 13.80 C ATOM 491 C ALA A 111 86.763 71.381 23.625 1.00 14.58 C ATOM 492 O ALA A 111 86.281 71.564 22.510 1.00 14.70 O ATOM 493 CB ALA A 111 88.448 69.710 22.829 1.00 14.46 C ATOM 494 HA ALA A 111 88.833 71.741 23.458 1.00 0.00 H ATOM 495 HB1 ALA A 111 89.507 69.452 22.836 1.00 0.00 H ATOM 496 HB2 ALA A 111 87.863 68.859 23.176 1.00 0.00 H ATOM 497 HB3 ALA A 111 88.144 69.973 21.816 1.00 0.00 H ATOM 498 H ALA A 111 88.598 69.556 25.396 1.00 0.00 H ATOM 499 N GLY A 112 86.078 71.592 24.752 1.00 13.34 N ATOM 500 CA GLY A 112 84.736 72.170 24.756 1.00 13.75 C ATOM 501 C GLY A 112 83.608 71.160 24.844 1.00 13.52 C ATOM 502 O GLY A 112 82.436 71.542 24.886 1.00 13.13 O ATOM 503 HA3 GLY A 112 84.610 72.740 23.836 1.00 0.00 H ATOM 504 HA2 GLY A 112 84.658 72.841 25.612 1.00 0.00 H ATOM 505 H GLY A 112 86.516 71.336 25.660 1.00 0.00 H ATOM 506 N PHE A 113 83.955 69.875 24.897 1.00 13.49 N ATOM 507 CA PHE A 113 82.961 68.807 24.811 1.00 13.99 C ATOM 508 C PHE A 113 82.472 68.349 26.174 1.00 13.73 C ATOM 509 O PHE A 113 83.246 68.266 27.127 1.00 12.38 O ATOM 510 CB PHE A 113 83.521 67.606 24.049 1.00 13.59 C ATOM 511 CG PHE A 113 83.873 67.907 22.621 1.00 14.24 C ATOM 512 CD1 PHE A 113 82.885 68.243 21.704 1.00 14.49 C ATOM 513 CD2 PHE A 113 85.188 67.856 22.188 1.00 14.94 C ATOM 514 CE1 PHE A 113 83.200 68.529 20.389 1.00 15.49 C ATOM 515 CE2 PHE A 113 85.508 68.130 20.871 1.00 15.13 C ATOM 516 CZ PHE A 113 84.516 68.471 19.969 1.00 15.49 C ATOM 517 HA PHE A 113 82.110 69.226 24.273 1.00 0.00 H ATOM 518 HB2 PHE A 113 84.420 67.263 24.560 1.00 0.00 H ATOM 519 HB3 PHE A 113 82.774 66.813 24.059 1.00 0.00 H ATOM 520 HD2 PHE A 113 85.978 67.597 22.893 1.00 0.00 H ATOM 521 HE2 PHE A 113 86.546 68.077 20.542 1.00 0.00 H ATOM 522 HZ PHE A 113 84.771 68.693 18.933 1.00 0.00 H ATOM 523 HE1 PHE A 113 82.413 68.800 19.685 1.00 0.00 H ATOM 524 HD1 PHE A 113 81.845 68.282 22.027 1.00 0.00 H ATOM 525 H PHE A 113 84.959 69.625 25.002 1.00 0.00 H ATOM 526 N PHE A 114 81.175 68.065 26.249 1.00 13.86 N ATOM 527 CA PHE A 114 80.587 67.372 27.392 1.00 13.39 C ATOM 528 C PHE A 114 79.923 66.082 26.916 1.00 12.85 C ATOM 529 O PHE A 114 79.536 65.953 25.751 1.00 14.91 O ATOM 530 CB PHE A 114 79.586 68.269 28.140 1.00 14.64 C ATOM 531 CG PHE A 114 78.396 68.684 27.318 1.00 14.61 C ATOM 532 CD1 PHE A 114 77.254 67.892 27.268 1.00 14.59 C ATOM 533 CD2 PHE A 114 78.411 69.871 26.602 1.00 15.75 C ATOM 534 CE1 PHE A 114 76.159 68.275 26.512 1.00 15.49 C ATOM 535 CE2 PHE A 114 77.316 70.257 25.841 1.00 15.72 C ATOM 536 CZ PHE A 114 76.188 69.457 25.799 1.00 17.12 C ATOM 537 HA PHE A 114 81.380 67.125 28.098 1.00 0.00 H ATOM 538 HB2 PHE A 114 79.226 67.725 29.013 1.00 0.00 H ATOM 539 HB3 PHE A 114 80.109 69.169 28.464 1.00 0.00 H ATOM 540 HD2 PHE A 114 79.294 70.509 26.637 1.00 0.00 H ATOM 541 HE2 PHE A 114 77.345 71.189 25.277 1.00 0.00 H ATOM 542 HZ PHE A 114 75.325 69.759 25.205 1.00 0.00 H ATOM 543 HE1 PHE A 114 75.272 67.642 26.480 1.00 0.00 H ATOM 544 HD1 PHE A 114 77.220 66.959 27.830 1.00 0.00 H ATOM 545 H PHE A 114 80.555 68.347 25.463 1.00 0.00 H ATOM 546 N HIS A 115 79.786 65.135 27.838 1.00 14.58 N ATOM 547 CA HIS A 115 79.249 63.814 27.549 1.00 14.67 C ATOM 548 C HIS A 115 77.746 63.864 27.504 1.00 15.58 C ATOM 549 O HIS A 115 77.123 64.359 28.441 1.00 17.14 O ATOM 550 CB HIS A 115 79.716 62.863 28.641 1.00 15.81 C ATOM 551 CG HIS A 115 79.443 61.407 28.366 1.00 16.24 C ATOM 552 ND1 HIS A 115 79.361 60.491 29.356 1.00 16.41 N ATOM 553 CD2 HIS A 115 79.244 60.720 27.179 1.00 15.86 C ATOM 554 CE1 HIS A 115 79.135 59.280 28.819 1.00 16.29 C ATOM 555 NE2 HIS A 115 79.048 59.422 27.492 1.00 16.85 N ATOM 556 HA HIS A 115 79.603 63.468 26.578 1.00 0.00 H ATOM 557 HB2 HIS A 115 80.791 62.990 28.765 1.00 0.00 H ATOM 558 HB3 HIS A 115 79.210 63.135 29.568 1.00 0.00 H ATOM 559 HD2 HIS A 115 79.246 61.149 26.177 1.00 0.00 H ATOM 560 HE1 HIS A 115 79.039 58.344 29.370 1.00 0.00 H ATOM 561 H HIS A 115 80.077 65.348 28.813 1.00 0.00 H ATOM 562 N THR A 116 77.161 63.374 26.410 1.00 16.15 N ATOM 563 CA THR A 116 75.704 63.356 26.220 1.00 19.55 C ATOM 564 C THR A 116 75.224 61.915 26.167 1.00 27.16 C ATOM 565 O THR A 116 75.380 61.247 25.145 1.00 24.50 O ATOM 566 CB THR A 116 75.283 64.069 24.915 1.00 22.05 C ATOM 567 OG1 THR A 116 75.761 63.346 23.771 1.00 30.46 O ATOM 568 CG2 THR A 116 75.835 65.475 24.870 1.00 22.83 C ATOM 569 HA THR A 116 75.253 63.887 27.059 1.00 0.00 H ATOM 570 HB THR A 116 74.194 64.108 24.895 1.00 0.00 H ATOM 571 HG1 THR A 116 75.380 62.432 23.777 1.00 0.00 H ATOM 572 HG23 THR A 116 75.477 66.032 25.736 1.00 0.00 H ATOM 573 HG21 THR A 116 76.924 65.437 24.886 1.00 0.00 H ATOM 574 HG22 THR A 116 75.500 65.966 23.956 1.00 0.00 H ATOM 575 H THR A 116 77.764 62.987 25.656 1.00 0.00 H ATOM 576 N GLY A 117 74.648 61.437 27.268 1.00 28.70 N ATOM 577 CA GLY A 117 74.184 60.047 27.361 1.00 29.59 C ATOM 578 C GLY A 117 75.221 59.161 28.026 1.00 27.32 C ATOM 579 O GLY A 117 76.118 59.660 28.703 1.00 29.72 O ATOM 580 HA3 GLY A 117 73.987 59.671 26.357 1.00 0.00 H ATOM 581 HA2 GLY A 117 73.265 60.018 27.946 1.00 0.00 H ATOM 582 H GLY A 117 74.523 62.067 28.086 1.00 0.00 H ATOM 583 N HIS A 118 75.091 57.848 27.837 1.00 29.98 N ATOM 584 CA HIS A 118 76.012 56.867 28.432 1.00 34.62 C ATOM 585 C HIS A 118 76.996 56.254 27.458 1.00 37.74 C ATOM 586 O HIS A 118 77.986 55.650 27.889 1.00 36.12 O ATOM 587 CB HIS A 118 75.218 55.762 29.119 1.00 41.72 C ATOM 588 CG HIS A 118 74.381 56.251 30.277 1.00 45.96 C ATOM 589 ND1 HIS A 118 73.142 56.751 30.113 1.00 55.16 N ATOM 590 CD2 HIS A 118 74.652 56.308 31.642 1.00 52.49 C ATOM 591 CE1 HIS A 118 72.642 57.109 31.311 1.00 64.92 C ATOM 592 NE2 HIS A 118 73.568 56.837 32.247 1.00 63.42 N ATOM 593 HA HIS A 118 76.611 57.425 29.152 1.00 0.00 H ATOM 594 HB2 HIS A 118 74.556 55.304 28.384 1.00 0.00 H ATOM 595 HB3 HIS A 118 75.918 55.014 29.491 1.00 0.00 H ATOM 596 HD2 HIS A 118 75.571 55.985 32.132 1.00 0.00 H ATOM 597 HE1 HIS A 118 71.659 57.543 31.490 1.00 0.00 H ATOM 598 H HIS A 118 74.308 57.503 27.246 1.00 0.00 H ATOM 599 N GLN A 119 76.746 56.396 26.153 1.00 31.44 N ATOM 600 CA GLN A 119 77.638 55.849 25.112 1.00 31.44 C ATOM 601 C GLN A 119 78.763 56.851 24.820 1.00 23.51 C ATOM 602 O GLN A 119 79.168 57.574 25.724 1.00 25.88 O ATOM 603 CB GLN A 119 76.846 55.485 23.851 1.00 33.20 C ATOM 604 CG GLN A 119 75.691 54.525 24.106 1.00 39.56 C ATOM 605 CD GLN A 119 74.971 54.121 22.832 1.00 46.98 C ATOM 606 OE1 GLN A 119 74.994 54.840 21.830 1.00 50.50 O ATOM 607 NE2 GLN A 119 74.317 52.965 22.868 1.00 54.29 N ATOM 608 HA GLN A 119 78.093 54.927 25.473 1.00 0.00 H ATOM 609 HB2 GLN A 119 76.443 56.402 23.422 1.00 0.00 H ATOM 610 HB3 GLN A 119 77.528 55.021 23.138 1.00 0.00 H ATOM 611 HG2 GLN A 119 76.083 53.628 24.585 1.00 0.00 H ATOM 612 HG3 GLN A 119 74.976 55.008 24.772 1.00 0.00 H ATOM 613 HE22 GLN A 119 74.324 52.390 23.735 1.00 0.00 H ATOM 614 HE21 GLN A 119 73.798 52.635 22.030 1.00 0.00 H ATOM 615 H GLN A 119 75.891 56.911 25.860 1.00 0.00 H ATOM 616 N ASP A 120 79.278 56.910 23.590 1.00 21.50 N ATOM 617 CA ASP A 120 80.425 57.786 23.307 1.00 21.81 C ATOM 618 C ASP A 120 80.054 59.113 22.621 1.00 22.06 C ATOM 619 O ASP A 120 80.879 59.718 21.944 1.00 24.91 O ATOM 620 CB ASP A 120 81.516 57.033 22.525 1.00 22.65 C ATOM 621 CG ASP A 120 81.152 56.781 21.076 1.00 25.69 C ATOM 622 OD1 ASP A 120 79.950 56.782 20.739 1.00 30.83 O ATOM 623 OD2 ASP A 120 82.082 56.577 20.267 1.00 25.21 O ATOM 624 HA ASP A 120 80.824 58.071 24.281 1.00 0.00 H ATOM 625 HB2 ASP A 120 82.432 57.623 22.554 1.00 0.00 H ATOM 626 HB3 ASP A 120 81.689 56.072 23.010 1.00 0.00 H ATOM 627 H ASP A 120 78.866 56.334 22.828 1.00 0.00 H ATOM 628 N LYS A 121 78.827 59.585 22.825 1.00 20.37 N ATOM 629 CA LYS A 121 78.388 60.833 22.206 1.00 19.15 C ATOM 630 C LYS A 121 78.807 62.025 23.057 1.00 16.09 C ATOM 631 O LYS A 121 78.688 61.990 24.280 1.00 16.26 O ATOM 632 CB LYS A 121 76.868 60.845 22.025 1.00 22.76 C ATOM 633 CG LYS A 121 76.343 59.833 21.021 1.00 27.89 C ATOM 634 CD LYS A 121 74.819 59.851 20.987 1.00 31.97 C ATOM 635 CE LYS A 121 74.252 58.990 19.871 1.00 37.43 C ATOM 636 NZ LYS A 121 74.764 57.594 19.918 1.00 40.40 N ATOM 637 HA LYS A 121 78.861 60.906 21.227 1.00 0.00 H ATOM 638 HB2 LYS A 121 76.409 60.636 22.991 1.00 0.00 H ATOM 639 HB3 LYS A 121 76.573 61.840 21.692 1.00 0.00 H ATOM 640 HG2 LYS A 121 76.727 60.078 20.031 1.00 0.00 H ATOM 641 HG3 LYS A 121 76.683 58.837 21.304 1.00 0.00 H ATOM 642 HD2 LYS A 121 74.443 59.480 21.941 1.00 0.00 H ATOM 643 HD3 LYS A 121 74.484 60.878 20.841 1.00 0.00 H ATOM 644 HE2 LYS A 121 74.526 59.432 18.913 1.00 0.00 H ATOM 645 HE3 LYS A 121 73.166 58.968 19.962 1.00 0.00 H ATOM 646 HZ1 LYS A 121 75.800 57.603 19.824 1.00 0.00 H ATOM 647 HZ2 LYS A 121 74.501 57.160 20.826 1.00 0.00 H ATOM 648 HZ3 LYS A 121 74.348 57.047 19.137 1.00 0.00 H ATOM 649 H LYS A 121 78.170 59.057 23.435 1.00 0.00 H ATOM 650 N VAL A 122 79.305 63.075 22.409 1.00 15.18 N ATOM 651 CA VAL A 122 79.602 64.340 23.083 1.00 14.55 C ATOM 652 C VAL A 122 79.098 65.512 22.250 1.00 15.13 C ATOM 653 O VAL A 122 78.891 65.376 21.044 1.00 15.77 O ATOM 654 CB VAL A 122 81.114 64.532 23.321 1.00 13.91 C ATOM 655 CG1 VAL A 122 81.692 63.345 24.077 1.00 13.85 C ATOM 656 CG2 VAL A 122 81.848 64.743 22.001 1.00 14.77 C ATOM 657 HA VAL A 122 79.097 64.307 24.048 1.00 0.00 H ATOM 658 HB VAL A 122 81.253 65.425 23.930 1.00 0.00 H ATOM 659 HG11 VAL A 122 81.191 63.251 25.041 1.00 0.00 H ATOM 660 HG12 VAL A 122 81.538 62.436 23.496 1.00 0.00 H ATOM 661 HG13 VAL A 122 82.759 63.501 24.234 1.00 0.00 H ATOM 662 HG21 VAL A 122 81.700 63.873 21.361 1.00 0.00 H ATOM 663 HG22 VAL A 122 81.454 65.631 21.506 1.00 0.00 H ATOM 664 HG23 VAL A 122 82.912 64.876 22.196 1.00 0.00 H ATOM 665 H VAL A 122 79.490 62.994 21.389 1.00 0.00 H ATOM 666 N ARG A 123 78.911 66.657 22.901 1.00 15.00 N ATOM 667 CA ARG A 123 78.606 67.909 22.215 1.00 15.59 C ATOM 668 C ARG A 123 79.493 69.032 22.729 1.00 14.14 C ATOM 669 O ARG A 123 79.871 69.051 23.897 1.00 13.29 O ATOM 670 CB ARG A 123 77.150 68.318 22.436 1.00 18.61 C ATOM 671 CG ARG A 123 76.138 67.613 21.558 1.00 21.61 C ATOM 672 CD ARG A 123 74.782 68.271 21.740 1.00 22.10 C ATOM 673 NE ARG A 123 73.693 67.505 21.151 1.00 22.46 N ATOM 674 CZ ARG A 123 73.334 67.550 19.872 1.00 25.63 C ATOM 675 NH1 ARG A 123 73.986 68.317 19.000 1.00 25.05 N ATOM 676 NH2 ARG A 123 72.307 66.814 19.458 1.00 29.03 N ATOM 677 HA ARG A 123 78.785 67.743 21.153 1.00 0.00 H ATOM 678 HB2 ARG A 123 76.896 68.111 23.476 1.00 0.00 H ATOM 679 HB3 ARG A 123 77.069 69.389 22.250 1.00 0.00 H ATOM 680 HG2 ARG A 123 76.444 67.688 20.514 1.00 0.00 H ATOM 681 HG3 ARG A 123 76.076 66.563 21.842 1.00 0.00 H ATOM 682 HD2 ARG A 123 74.808 69.255 21.272 1.00 0.00 H ATOM 683 HD3 ARG A 123 74.591 68.383 22.807 1.00 0.00 H ATOM 684 HE ARG A 123 73.155 66.874 21.779 1.00 0.00 H ATOM 685 HH12 ARG A 123 73.690 68.339 18.003 1.00 0.00 H ATOM 686 HH11 ARG A 123 74.791 68.894 19.316 1.00 0.00 H ATOM 687 HH22 ARG A 123 72.017 66.841 18.460 1.00 0.00 H ATOM 688 HH21 ARG A 123 71.794 66.211 20.133 1.00 0.00 H ATOM 689 H ARG A 123 78.985 66.660 23.938 1.00 0.00 H ATOM 690 N CYS A 124 79.801 69.980 21.853 1.00 14.33 N ATOM 691 CA CYS A 124 80.484 71.200 22.258 1.00 14.55 C ATOM 692 C CYS A 124 79.479 72.142 22.917 1.00 14.42 C ATOM 693 O CYS A 124 78.378 72.342 22.398 1.00 15.94 O ATOM 694 CB CYS A 124 81.115 71.872 21.047 1.00 16.59 C ATOM 695 SG CYS A 124 81.828 73.497 21.367 1.00 14.50 S ATOM 696 HA CYS A 124 81.273 70.956 22.969 1.00 0.00 H ATOM 697 HB2 CYS A 124 80.346 71.984 20.282 1.00 0.00 H ATOM 698 HB3 CYS A 124 81.906 71.222 20.673 1.00 0.00 H ATOM 699 HG CYS A 124 82.365 74.000 20.200 1.00 0.00 H ATOM 700 H CYS A 124 79.548 69.848 20.853 1.00 0.00 H ATOM 701 N PHE A 125 79.855 72.728 24.051 1.00 13.70 N ATOM 702 CA PHE A 125 78.961 73.651 24.757 1.00 13.65 C ATOM 703 C PHE A 125 78.708 74.919 23.941 1.00 13.92 C ATOM 704 O PHE A 125 77.678 75.575 24.120 1.00 14.00 O ATOM 705 CB PHE A 125 79.531 74.029 26.129 1.00 14.06 C ATOM 706 CG PHE A 125 80.547 75.135 26.073 1.00 13.85 C ATOM 707 CD1 PHE A 125 81.878 74.859 25.783 1.00 13.68 C ATOM 708 CD2 PHE A 125 80.165 76.454 26.276 1.00 14.93 C ATOM 709 CE1 PHE A 125 82.807 75.877 25.719 1.00 14.93 C ATOM 710 CE2 PHE A 125 81.089 77.481 26.205 1.00 15.20 C ATOM 711 CZ PHE A 125 82.415 77.191 25.928 1.00 15.20 C ATOM 712 HA PHE A 125 78.013 73.132 24.897 1.00 0.00 H ATOM 713 HB2 PHE A 125 78.708 74.348 26.769 1.00 0.00 H ATOM 714 HB3 PHE A 125 80.004 73.147 26.561 1.00 0.00 H ATOM 715 HD2 PHE A 125 79.122 76.684 26.494 1.00 0.00 H ATOM 716 HE2 PHE A 125 80.776 78.512 26.366 1.00 0.00 H ATOM 717 HZ PHE A 125 83.150 77.995 25.874 1.00 0.00 H ATOM 718 HE1 PHE A 125 83.851 75.648 25.504 1.00 0.00 H ATOM 719 HD1 PHE A 125 82.190 73.830 25.605 1.00 0.00 H ATOM 720 H PHE A 125 80.798 72.528 24.443 1.00 0.00 H ATOM 721 N PHE A 126 79.642 75.275 23.055 1.00 14.24 N ATOM 722 CA PHE A 126 79.540 76.538 22.341 1.00 15.51 C ATOM 723 C PHE A 126 78.785 76.425 21.022 1.00 16.41 C ATOM 724 O PHE A 126 77.815 77.152 20.802 1.00 16.46 O ATOM 725 CB PHE A 126 80.913 77.171 22.095 1.00 15.74 C ATOM 726 CG PHE A 126 80.823 78.632 21.783 1.00 15.97 C ATOM 727 CD1 PHE A 126 80.507 79.059 20.498 1.00 17.50 C ATOM 728 CD2 PHE A 126 80.973 79.578 22.786 1.00 17.29 C ATOM 729 CE1 PHE A 126 80.378 80.405 20.219 1.00 18.24 C ATOM 730 CE2 PHE A 126 80.850 80.926 22.508 1.00 18.66 C ATOM 731 CZ PHE A 126 80.548 81.337 21.228 1.00 18.34 C ATOM 732 HA PHE A 126 78.962 77.188 22.998 1.00 0.00 H ATOM 733 HB2 PHE A 126 81.523 77.041 22.989 1.00 0.00 H ATOM 734 HB3 PHE A 126 81.387 76.663 21.256 1.00 0.00 H ATOM 735 HD2 PHE A 126 81.190 79.255 23.804 1.00 0.00 H ATOM 736 HE2 PHE A 126 80.992 81.662 23.299 1.00 0.00 H ATOM 737 HZ PHE A 126 80.443 82.400 21.009 1.00 0.00 H ATOM 738 HE1 PHE A 126 80.143 80.733 19.206 1.00 0.00 H ATOM 739 HD1 PHE A 126 80.360 78.326 19.705 1.00 0.00 H ATOM 740 H PHE A 126 80.449 74.644 22.874 1.00 0.00 H ATOM 741 N CYS A 127 79.245 75.544 20.138 1.00 16.76 N ATOM 742 CA CYS A 127 78.614 75.373 18.825 1.00 17.33 C ATOM 743 C CYS A 127 77.539 74.281 18.798 1.00 17.71 C ATOM 744 O CYS A 127 76.801 74.190 17.822 1.00 18.44 O ATOM 745 CB CYS A 127 79.666 75.104 17.739 1.00 18.23 C ATOM 746 SG CYS A 127 80.539 73.525 17.859 1.00 18.51 S ATOM 747 HA CYS A 127 78.108 76.316 18.617 1.00 0.00 H ATOM 748 HB2 CYS A 127 80.408 75.901 17.788 1.00 0.00 H ATOM 749 HB3 CYS A 127 79.164 75.136 16.772 1.00 0.00 H ATOM 750 HG CYS A 127 81.206 73.460 19.066 1.00 0.00 H ATOM 751 H CYS A 127 80.072 74.963 20.384 1.00 0.00 H ATOM 752 N TYR A 128 77.462 73.482 19.867 1.00 16.85 N ATOM 753 CA TYR A 128 76.519 72.350 20.015 1.00 17.83 C ATOM 754 C TYR A 128 76.787 71.210 19.021 1.00 19.75 C ATOM 755 O TYR A 128 75.951 70.320 18.854 1.00 20.78 O ATOM 756 CB TYR A 128 75.054 72.816 19.925 1.00 18.74 C ATOM 757 CG TYR A 128 74.097 72.152 20.912 1.00 19.26 C ATOM 758 CD1 TYR A 128 74.297 72.256 22.283 1.00 19.13 C ATOM 759 CD2 TYR A 128 72.966 71.458 20.473 1.00 22.26 C ATOM 760 CE1 TYR A 128 73.421 71.674 23.190 1.00 21.85 C ATOM 761 CE2 TYR A 128 72.081 70.876 21.377 1.00 22.42 C ATOM 762 CZ TYR A 128 72.311 70.986 22.734 1.00 24.19 C ATOM 763 OH TYR A 128 71.442 70.416 23.655 1.00 25.62 O ATOM 764 HA TYR A 128 76.692 71.947 21.013 1.00 0.00 H ATOM 765 HB3 TYR A 128 74.696 72.609 18.917 1.00 0.00 H ATOM 766 HB2 TYR A 128 75.031 73.891 20.104 1.00 0.00 H ATOM 767 HD2 TYR A 128 72.773 71.371 19.404 1.00 0.00 H ATOM 768 HE2 TYR A 128 71.208 70.334 21.014 1.00 0.00 H ATOM 769 HE1 TYR A 128 73.608 71.759 24.260 1.00 0.00 H ATOM 770 HD1 TYR A 128 75.161 72.807 22.655 1.00 0.00 H ATOM 771 HH TYR A 128 71.769 70.598 24.572 1.00 0.00 H ATOM 772 H TYR A 128 78.114 73.670 20.655 1.00 0.00 H ATOM 773 N GLY A 129 77.951 71.234 18.378 1.00 18.86 N ATOM 774 CA GLY A 129 78.326 70.186 17.431 1.00 19.32 C ATOM 775 C GLY A 129 78.448 68.868 18.166 1.00 18.43 C ATOM 776 O GLY A 129 79.081 68.804 19.217 1.00 17.22 O ATOM 777 HA3 GLY A 129 79.282 70.436 16.970 1.00 0.00 H ATOM 778 HA2 GLY A 129 77.562 70.103 16.658 1.00 0.00 H ATOM 779 H GLY A 129 78.611 72.018 18.554 1.00 0.00 H ATOM 780 N GLY A 130 77.825 67.823 17.626 1.00 19.26 N ATOM 781 CA GLY A 130 77.817 66.513 18.265 1.00 18.66 C ATOM 782 C GLY A 130 78.718 65.524 17.549 1.00 18.31 C ATOM 783 O GLY A 130 78.628 65.384 16.334 1.00 20.64 O ATOM 784 HA3 GLY A 130 76.798 66.126 18.262 1.00 0.00 H ATOM 785 HA2 GLY A 130 78.161 66.621 19.294 1.00 0.00 H ATOM 786 H GLY A 130 77.329 67.945 16.720 1.00 0.00 H ATOM 787 N LEU A 131 79.580 64.842 18.302 1.00 17.96 N ATOM 788 CA LEU A 131 80.483 63.835 17.743 1.00 18.28 C ATOM 789 C LEU A 131 80.305 62.484 18.433 1.00 17.61 C ATOM 790 O LEU A 131 80.164 62.410 19.654 1.00 17.93 O ATOM 791 CB LEU A 131 81.936 64.283 17.880 1.00 18.05 C ATOM 792 CG LEU A 131 82.359 65.472 17.013 1.00 18.30 C ATOM 793 CD1 LEU A 131 83.769 65.912 17.382 1.00 18.20 C ATOM 794 CD2 LEU A 131 82.263 65.153 15.524 1.00 19.30 C ATOM 795 HA LEU A 131 80.234 63.724 16.688 1.00 0.00 H ATOM 796 HB2 LEU A 131 82.104 64.554 18.922 1.00 0.00 H ATOM 797 HB3 LEU A 131 82.572 63.437 17.619 1.00 0.00 H ATOM 798 HG LEU A 131 81.668 66.292 17.210 1.00 0.00 H ATOM 799 HD21 LEU A 131 82.915 64.311 15.291 1.00 0.00 H ATOM 800 HD22 LEU A 131 81.233 64.897 15.274 1.00 0.00 H ATOM 801 HD23 LEU A 131 82.572 66.024 14.946 1.00 0.00 H ATOM 802 HD11 LEU A 131 83.793 66.206 18.431 1.00 0.00 H ATOM 803 HD12 LEU A 131 84.461 65.085 17.219 1.00 0.00 H ATOM 804 HD13 LEU A 131 84.059 66.758 16.759 1.00 0.00 H ATOM 805 H LEU A 131 79.612 65.032 19.324 1.00 0.00 H ATOM 806 N GLN A 132 80.323 61.424 17.630 1.00 19.38 N ATOM 807 CA GLN A 132 80.202 60.056 18.117 1.00 20.66 C ATOM 808 C GLN A 132 81.190 59.169 17.355 1.00 21.29 C ATOM 809 O GLN A 132 81.983 59.666 16.561 1.00 19.57 O ATOM 810 CB GLN A 132 78.767 59.559 17.920 1.00 23.66 C ATOM 811 CG GLN A 132 78.323 59.520 16.464 1.00 26.69 C ATOM 812 CD GLN A 132 76.947 58.907 16.284 1.00 32.88 C ATOM 813 OE1 GLN A 132 76.106 58.964 17.178 1.00 41.63 O ATOM 814 NE2 GLN A 132 76.716 58.313 15.123 1.00 37.56 N ATOM 815 HA GLN A 132 80.433 60.017 19.181 1.00 0.00 H ATOM 816 HB2 GLN A 132 78.693 58.551 18.329 1.00 0.00 H ATOM 817 HB3 GLN A 132 78.096 60.222 18.466 1.00 0.00 H ATOM 818 HG2 GLN A 132 78.303 60.539 16.078 1.00 0.00 H ATOM 819 HG3 GLN A 132 79.043 58.932 15.896 1.00 0.00 H ATOM 820 HE22 GLN A 132 77.458 58.289 14.395 1.00 0.00 H ATOM 821 HE21 GLN A 132 75.793 57.871 14.940 1.00 0.00 H ATOM 822 H GLN A 132 80.428 61.579 16.607 1.00 0.00 H ATOM 823 N SER A 133 81.135 57.862 17.606 1.00 22.02 N ATOM 824 CA SER A 133 81.973 56.885 16.900 1.00 23.69 C ATOM 825 C SER A 133 83.458 57.233 17.022 1.00 22.27 C ATOM 826 O SER A 133 84.200 57.226 16.036 1.00 23.98 O ATOM 827 CB SER A 133 81.558 56.775 15.426 1.00 26.76 C ATOM 828 OG SER A 133 80.180 56.463 15.310 1.00 29.77 O ATOM 829 HA SER A 133 81.820 55.914 17.372 1.00 0.00 H ATOM 830 HB2 SER A 133 82.143 55.990 14.948 1.00 0.00 H ATOM 831 HB3 SER A 133 81.752 57.725 14.928 1.00 0.00 H ATOM 832 HG SER A 133 79.937 56.398 14.352 1.00 0.00 H ATOM 833 H SER A 133 80.472 57.520 18.331 1.00 0.00 H ATOM 834 N TRP A 134 83.876 57.530 18.249 1.00 21.87 N ATOM 835 CA TRP A 134 85.264 57.867 18.532 1.00 22.60 C ATOM 836 C TRP A 134 86.154 56.675 18.351 1.00 24.24 C ATOM 837 O TRP A 134 85.835 55.580 18.812 1.00 25.61 O ATOM 838 CB TRP A 134 85.395 58.405 19.950 1.00 20.22 C ATOM 839 CG TRP A 134 84.780 59.767 20.095 1.00 19.77 C ATOM 840 CD1 TRP A 134 83.451 60.072 20.347 1.00 18.65 C ATOM 841 CD2 TRP A 134 85.456 61.060 19.969 1.00 18.10 C ATOM 842 NE1 TRP A 134 83.260 61.429 20.396 1.00 18.99 N ATOM 843 CE2 TRP A 134 84.429 62.080 20.172 1.00 17.76 C ATOM 844 CE3 TRP A 134 86.758 61.458 19.716 1.00 17.69 C ATOM 845 CZ2 TRP A 134 84.721 63.431 20.121 1.00 16.69 C ATOM 846 CZ3 TRP A 134 87.043 62.823 19.676 1.00 16.90 C ATOM 847 CH2 TRP A 134 86.047 63.785 19.874 1.00 17.24 C ATOM 848 HA TRP A 134 85.577 58.637 17.827 1.00 0.00 H ATOM 849 HB2 TRP A 134 84.896 57.719 20.634 1.00 0.00 H ATOM 850 HB3 TRP A 134 86.453 58.467 20.207 1.00 0.00 H ATOM 851 HE1 TRP A 134 82.348 61.894 20.579 1.00 0.00 H ATOM 852 HD1 TRP A 134 82.663 59.332 20.487 1.00 0.00 H ATOM 853 HZ2 TRP A 134 83.948 64.186 20.267 1.00 0.00 H ATOM 854 HH2 TRP A 134 86.315 64.841 19.834 1.00 0.00 H ATOM 855 HZ3 TRP A 134 88.066 63.148 19.486 1.00 0.00 H ATOM 856 HE3 TRP A 134 87.543 60.720 19.552 1.00 0.00 H ATOM 857 H TRP A 134 83.190 57.521 19.031 1.00 0.00 H ATOM 858 N LYS A 135 87.271 56.880 17.663 1.00 24.58 N ATOM 859 CA LYS A 135 88.274 55.837 17.462 1.00 27.85 C ATOM 860 C LYS A 135 89.423 56.083 18.429 1.00 24.84 C ATOM 861 O LYS A 135 89.680 57.228 18.804 1.00 23.15 O ATOM 862 CB LYS A 135 88.778 55.861 16.023 1.00 32.99 C ATOM 863 CG LYS A 135 87.701 55.586 14.983 1.00 39.06 C ATOM 864 CD LYS A 135 87.107 54.194 15.145 1.00 45.53 C ATOM 865 CE LYS A 135 86.281 53.786 13.935 1.00 52.35 C ATOM 866 NZ LYS A 135 85.931 52.338 13.963 1.00 59.55 N ATOM 867 HA LYS A 135 87.835 54.857 17.650 1.00 0.00 H ATOM 868 HB2 LYS A 135 89.202 56.845 15.825 1.00 0.00 H ATOM 869 HB3 LYS A 135 89.555 55.104 15.920 1.00 0.00 H ATOM 870 HG2 LYS A 135 86.907 56.325 15.092 1.00 0.00 H ATOM 871 HG3 LYS A 135 88.140 55.670 13.989 1.00 0.00 H ATOM 872 HD2 LYS A 135 87.918 53.478 15.276 1.00 0.00 H ATOM 873 HD3 LYS A 135 86.468 54.184 16.028 1.00 0.00 H ATOM 874 HE2 LYS A 135 86.854 53.993 13.031 1.00 0.00 H ATOM 875 HE3 LYS A 135 85.361 54.371 13.923 1.00 0.00 H ATOM 876 HZ1 LYS A 135 86.803 51.772 13.968 1.00 0.00 H ATOM 877 HZ2 LYS A 135 85.378 52.133 14.820 1.00 0.00 H ATOM 878 HZ3 LYS A 135 85.368 52.102 13.121 1.00 0.00 H ATOM 879 H LYS A 135 87.438 57.820 17.251 1.00 0.00 H ATOM 880 N ARG A 136 90.114 55.022 18.839 1.00 25.44 N ATOM 881 CA ARG A 136 91.221 55.152 19.787 1.00 24.18 C ATOM 882 C ARG A 136 92.266 56.120 19.237 1.00 23.95 C ATOM 883 O ARG A 136 92.607 56.064 18.053 1.00 24.20 O ATOM 884 CB ARG A 136 91.847 53.784 20.106 1.00 24.87 C ATOM 885 CG ARG A 136 92.593 53.119 18.959 1.00 26.69 C ATOM 886 CD ARG A 136 93.101 51.738 19.353 1.00 27.24 C ATOM 887 NE ARG A 136 94.258 51.348 18.557 1.00 28.04 N ATOM 888 CZ ARG A 136 94.949 50.226 18.734 1.00 29.51 C ATOM 889 NH1 ARG A 136 94.602 49.371 19.683 1.00 29.01 N ATOM 890 NH2 ARG A 136 95.989 49.963 17.959 1.00 31.71 N ATOM 891 HA ARG A 136 90.830 55.554 20.722 1.00 0.00 H ATOM 892 HB2 ARG A 136 92.549 53.920 20.929 1.00 0.00 H ATOM 893 HB3 ARG A 136 91.047 53.114 20.419 1.00 0.00 H ATOM 894 HG2 ARG A 136 91.920 53.020 18.108 1.00 0.00 H ATOM 895 HG3 ARG A 136 93.442 53.743 18.679 1.00 0.00 H ATOM 896 HD2 ARG A 136 92.304 51.010 19.201 1.00 0.00 H ATOM 897 HD3 ARG A 136 93.383 51.751 20.406 1.00 0.00 H ATOM 898 HE ARG A 136 94.564 51.991 17.799 1.00 0.00 H ATOM 899 HH12 ARG A 136 95.146 48.495 19.818 1.00 0.00 H ATOM 900 HH11 ARG A 136 93.786 49.576 20.294 1.00 0.00 H ATOM 901 HH22 ARG A 136 96.531 49.086 18.096 1.00 0.00 H ATOM 902 HH21 ARG A 136 96.264 50.633 17.213 1.00 0.00 H ATOM 903 H ARG A 136 89.862 54.080 18.478 1.00 0.00 H ATOM 904 N GLY A 137 92.745 57.025 20.091 1.00 23.49 N ATOM 905 CA GLY A 137 93.743 58.007 19.692 1.00 24.45 C ATOM 906 C GLY A 137 93.210 59.216 18.944 1.00 25.23 C ATOM 907 O GLY A 137 93.995 60.075 18.549 1.00 24.15 O ATOM 908 HA3 GLY A 137 94.468 57.507 19.049 1.00 0.00 H ATOM 909 HA2 GLY A 137 94.243 58.363 20.593 1.00 0.00 H ATOM 910 H GLY A 137 92.396 57.030 21.071 1.00 0.00 H ATOM 911 N ASP A 138 91.894 59.295 18.725 1.00 24.16 N ATOM 912 CA ASP A 138 91.298 60.505 18.145 1.00 21.66 C ATOM 913 C ASP A 138 91.650 61.676 19.044 1.00 20.52 C ATOM 914 O ASP A 138 91.606 61.550 20.266 1.00 21.34 O ATOM 915 CB ASP A 138 89.770 60.419 18.091 1.00 21.41 C ATOM 916 CG ASP A 138 89.236 59.790 16.822 1.00 22.96 C ATOM 917 OD1 ASP A 138 89.992 59.526 15.867 1.00 25.37 O ATOM 918 OD2 ASP A 138 88.011 59.560 16.796 1.00 24.14 O ATOM 919 HA ASP A 138 91.681 60.621 17.131 1.00 0.00 H ATOM 920 HB2 ASP A 138 89.429 59.825 18.939 1.00 0.00 H ATOM 921 HB3 ASP A 138 89.366 61.428 18.171 1.00 0.00 H ATOM 922 H ASP A 138 91.284 58.489 18.969 1.00 0.00 H ATOM 923 N ASP A 139 91.980 62.815 18.445 1.00 19.55 N ATOM 924 CA ASP A 139 92.325 64.010 19.204 1.00 18.64 C ATOM 925 C ASP A 139 91.132 64.967 19.216 1.00 17.34 C ATOM 926 O ASP A 139 90.729 65.456 18.163 1.00 18.46 O ATOM 927 CB ASP A 139 93.538 64.703 18.587 1.00 20.53 C ATOM 928 CG ASP A 139 93.925 65.954 19.339 1.00 22.35 C ATOM 929 OD1 ASP A 139 94.346 65.834 20.507 1.00 23.17 O ATOM 930 OD2 ASP A 139 93.794 67.053 18.765 1.00 23.05 O ATOM 931 HA ASP A 139 92.573 63.721 20.225 1.00 0.00 H ATOM 932 HB2 ASP A 139 94.381 64.012 18.598 1.00 0.00 H ATOM 933 HB3 ASP A 139 93.303 64.971 17.557 1.00 0.00 H ATOM 934 H ASP A 139 91.992 62.855 17.406 1.00 0.00 H ATOM 935 N PRO A 140 90.555 65.230 20.404 1.00 16.30 N ATOM 936 CA PRO A 140 89.354 66.070 20.465 1.00 16.41 C ATOM 937 C PRO A 140 89.453 67.423 19.743 1.00 16.64 C ATOM 938 O PRO A 140 88.534 67.784 19.006 1.00 15.95 O ATOM 939 CB PRO A 140 89.128 66.230 21.969 1.00 15.75 C ATOM 940 CG PRO A 140 89.608 64.923 22.517 1.00 15.85 C ATOM 941 CD PRO A 140 90.827 64.590 21.707 1.00 16.21 C ATOM 942 HA PRO A 140 88.524 65.605 19.932 1.00 0.00 H ATOM 943 HD3 PRO A 140 91.726 65.003 22.165 1.00 0.00 H ATOM 944 HD2 PRO A 140 90.940 63.512 21.597 1.00 0.00 H ATOM 945 HG3 PRO A 140 88.846 64.153 22.398 1.00 0.00 H ATOM 946 HG2 PRO A 140 89.863 65.019 23.572 1.00 0.00 H ATOM 947 HB2 PRO A 140 89.710 67.061 22.368 1.00 0.00 H ATOM 948 HB3 PRO A 140 88.073 66.387 22.193 1.00 0.00 H ATOM 949 N TRP A 141 90.549 68.156 19.928 1.00 16.90 N ATOM 950 CA TRP A 141 90.703 69.444 19.246 1.00 17.29 C ATOM 951 C TRP A 141 90.728 69.295 17.746 1.00 17.42 C ATOM 952 O TRP A 141 90.097 70.077 17.030 1.00 18.87 O ATOM 953 CB TRP A 141 91.962 70.176 19.706 1.00 18.40 C ATOM 954 CG TRP A 141 91.789 71.060 20.922 1.00 18.06 C ATOM 955 CD1 TRP A 141 92.576 71.091 22.068 1.00 19.38 C ATOM 956 CD2 TRP A 141 90.780 72.108 21.130 1.00 17.71 C ATOM 957 NE1 TRP A 141 92.127 72.048 22.947 1.00 20.34 N ATOM 958 CE2 TRP A 141 91.060 72.693 22.445 1.00 17.98 C ATOM 959 CE3 TRP A 141 89.720 72.601 20.389 1.00 17.86 C ATOM 960 CZ2 TRP A 141 90.293 73.722 22.968 1.00 17.42 C ATOM 961 CZ3 TRP A 141 88.948 73.631 20.935 1.00 18.36 C ATOM 962 CH2 TRP A 141 89.236 74.175 22.193 1.00 16.48 C ATOM 963 HA TRP A 141 89.829 70.036 19.517 1.00 0.00 H ATOM 964 HB2 TRP A 141 92.721 69.428 19.938 1.00 0.00 H ATOM 965 HB3 TRP A 141 92.309 70.800 18.882 1.00 0.00 H ATOM 966 HE1 TRP A 141 92.555 72.246 23.874 1.00 0.00 H ATOM 967 HD1 TRP A 141 93.434 70.443 22.246 1.00 0.00 H ATOM 968 HZ2 TRP A 141 90.511 74.156 23.944 1.00 0.00 H ATOM 969 HH2 TRP A 141 88.609 74.981 22.575 1.00 0.00 H ATOM 970 HZ3 TRP A 141 88.102 74.020 20.368 1.00 0.00 H ATOM 971 HE3 TRP A 141 89.492 72.196 19.403 1.00 0.00 H ATOM 972 H TRP A 141 91.300 67.813 20.560 1.00 0.00 H ATOM 973 N THR A 142 91.462 68.298 17.253 1.00 17.67 N ATOM 974 CA THR A 142 91.538 68.027 15.816 1.00 19.42 C ATOM 975 C THR A 142 90.157 67.715 15.238 1.00 19.07 C ATOM 976 O THR A 142 89.783 68.228 14.179 1.00 19.49 O ATOM 977 CB THR A 142 92.470 66.832 15.516 1.00 21.13 C ATOM 978 OG1 THR A 142 93.787 67.099 16.018 1.00 22.35 O ATOM 979 CG2 THR A 142 92.547 66.559 14.015 1.00 21.69 C ATOM 980 HA THR A 142 91.938 68.928 15.351 1.00 0.00 H ATOM 981 HB THR A 142 92.058 65.952 16.010 1.00 0.00 H ATOM 982 HG1 THR A 142 93.743 67.241 16.997 1.00 0.00 H ATOM 983 HG23 THR A 142 91.547 66.356 13.632 1.00 0.00 H ATOM 984 HG21 THR A 142 92.961 67.431 13.509 1.00 0.00 H ATOM 985 HG22 THR A 142 93.188 65.696 13.836 1.00 0.00 H ATOM 986 H THR A 142 91.997 67.694 17.909 1.00 0.00 H ATOM 987 N GLU A 143 89.412 66.862 15.933 1.00 19.40 N ATOM 988 CA GLU A 143 88.055 66.513 15.517 1.00 19.15 C ATOM 989 C GLU A 143 87.132 67.740 15.549 1.00 18.35 C ATOM 990 O GLU A 143 86.302 67.917 14.658 1.00 19.08 O ATOM 991 CB GLU A 143 87.488 65.384 16.392 1.00 19.26 C ATOM 992 CG GLU A 143 88.249 64.065 16.295 1.00 21.06 C ATOM 993 CD GLU A 143 88.281 63.486 14.889 1.00 25.45 C ATOM 994 OE1 GLU A 143 87.208 63.341 14.268 1.00 26.48 O ATOM 995 OE2 GLU A 143 89.386 63.175 14.396 1.00 30.04 O ATOM 996 HA GLU A 143 88.104 66.157 14.488 1.00 0.00 H ATOM 997 HB2 GLU A 143 87.510 65.714 17.431 1.00 0.00 H ATOM 998 HB3 GLU A 143 86.456 65.205 16.090 1.00 0.00 H ATOM 999 HG2 GLU A 143 89.275 64.233 16.623 1.00 0.00 H ATOM 1000 HG3 GLU A 143 87.772 63.341 16.956 1.00 0.00 H ATOM 1001 H GLU A 143 89.804 66.432 16.795 1.00 0.00 H ATOM 1002 N HIS A 144 87.292 68.587 16.565 1.00 17.40 N ATOM 1003 CA HIS A 144 86.511 69.827 16.684 1.00 17.27 C ATOM 1004 C HIS A 144 86.727 70.695 15.467 1.00 18.68 C ATOM 1005 O HIS A 144 85.776 71.210 14.878 1.00 18.78 O ATOM 1006 CB HIS A 144 86.917 70.591 17.951 1.00 15.98 C ATOM 1007 CG HIS A 144 85.822 71.460 18.543 1.00 15.83 C ATOM 1008 ND1 HIS A 144 85.747 71.715 19.862 1.00 14.40 N ATOM 1009 CD2 HIS A 144 84.753 72.136 17.954 1.00 15.87 C ATOM 1010 CE1 HIS A 144 84.689 72.514 20.109 1.00 14.80 C ATOM 1011 NE2 HIS A 144 84.081 72.772 18.946 1.00 16.20 N ATOM 1012 HA HIS A 144 85.454 69.569 16.753 1.00 0.00 H ATOM 1013 HB2 HIS A 144 87.219 69.864 18.705 1.00 0.00 H ATOM 1014 HB3 HIS A 144 87.764 71.231 17.705 1.00 0.00 H ATOM 1015 HD2 HIS A 144 84.504 72.150 16.893 1.00 0.00 H ATOM 1016 HE1 HIS A 144 84.383 72.885 21.087 1.00 0.00 H ATOM 1017 H HIS A 144 87.994 68.363 17.299 1.00 0.00 H ATOM 1018 N ALA A 145 87.990 70.852 15.079 1.00 18.53 N ATOM 1019 CA ALA A 145 88.360 71.698 13.941 1.00 19.92 C ATOM 1020 C ALA A 145 87.990 71.079 12.596 1.00 21.52 C ATOM 1021 O ALA A 145 87.652 71.795 11.657 1.00 22.80 O ATOM 1022 CB ALA A 145 89.848 72.015 13.982 1.00 18.74 C ATOM 1023 HA ALA A 145 87.786 72.620 14.034 1.00 0.00 H ATOM 1024 HB1 ALA A 145 90.081 72.541 14.908 1.00 0.00 H ATOM 1025 HB2 ALA A 145 90.417 71.087 13.937 1.00 0.00 H ATOM 1026 HB3 ALA A 145 90.108 72.644 13.131 1.00 0.00 H ATOM 1027 H ALA A 145 88.741 70.357 15.602 1.00 0.00 H ATOM 1028 N LYS A 146 88.066 69.754 12.506 1.00 22.38 N ATOM 1029 CA LYS A 146 87.701 69.034 11.292 1.00 24.66 C ATOM 1030 C LYS A 146 86.221 69.205 10.954 1.00 24.62 C ATOM 1031 O LYS A 146 85.873 69.500 9.808 1.00 25.57 O ATOM 1032 CB LYS A 146 88.027 67.543 11.450 1.00 26.98 C ATOM 1033 CG LYS A 146 87.736 66.696 10.220 1.00 33.55 C ATOM 1034 CD LYS A 146 88.217 65.261 10.394 1.00 35.75 C ATOM 1035 CE LYS A 146 87.945 64.438 9.142 1.00 41.54 C ATOM 1036 NZ LYS A 146 88.393 63.023 9.278 1.00 45.11 N ATOM 1037 HA LYS A 146 88.282 69.454 10.471 1.00 0.00 H ATOM 1038 HB2 LYS A 146 89.088 67.450 11.684 1.00 0.00 H ATOM 1039 HB3 LYS A 146 87.438 67.152 12.279 1.00 0.00 H ATOM 1040 HG2 LYS A 146 86.661 66.689 10.043 1.00 0.00 H ATOM 1041 HG3 LYS A 146 88.242 67.136 9.361 1.00 0.00 H ATOM 1042 HD2 LYS A 146 89.289 65.266 10.592 1.00 0.00 H ATOM 1043 HD3 LYS A 146 87.695 64.810 11.238 1.00 0.00 H ATOM 1044 HE2 LYS A 146 88.473 64.893 8.304 1.00 0.00 H ATOM 1045 HE3 LYS A 146 86.873 64.448 8.943 1.00 0.00 H ATOM 1046 HZ1 LYS A 146 89.417 63.001 9.459 1.00 0.00 H ATOM 1047 HZ2 LYS A 146 87.889 62.576 10.071 1.00 0.00 H ATOM 1048 HZ3 LYS A 146 88.184 62.509 8.399 1.00 0.00 H ATOM 1049 H LYS A 146 88.397 69.213 13.330 1.00 0.00 H ATOM 1050 N TRP A 147 85.363 69.037 11.956 1.00 23.17 N ATOM 1051 CA TRP A 147 83.919 68.962 11.738 1.00 22.56 C ATOM 1052 C TRP A 147 83.189 70.259 11.965 1.00 22.15 C ATOM 1053 O TRP A 147 82.175 70.516 11.311 1.00 22.19 O ATOM 1054 CB TRP A 147 83.320 67.870 12.611 1.00 23.02 C ATOM 1055 CG TRP A 147 83.832 66.491 12.267 1.00 24.87 C ATOM 1056 CD1 TRP A 147 84.641 65.664 13.045 1.00 24.54 C ATOM 1057 CD2 TRP A 147 83.594 65.734 11.029 1.00 28.02 C ATOM 1058 NE1 TRP A 147 84.904 64.486 12.394 1.00 26.72 N ATOM 1059 CE2 TRP A 147 84.304 64.463 11.183 1.00 27.94 C ATOM 1060 CE3 TRP A 147 82.884 65.972 9.858 1.00 29.64 C ATOM 1061 CZ2 TRP A 147 84.289 63.490 10.195 1.00 29.78 C ATOM 1062 CZ3 TRP A 147 82.878 64.982 8.869 1.00 31.45 C ATOM 1063 CH2 TRP A 147 83.566 63.771 9.036 1.00 30.96 C ATOM 1064 HA TRP A 147 83.788 68.727 10.682 1.00 0.00 H ATOM 1065 HB2 TRP A 147 83.566 68.083 13.651 1.00 0.00 H ATOM 1066 HB3 TRP A 147 82.237 67.880 12.486 1.00 0.00 H ATOM 1067 HE1 TRP A 147 85.486 63.715 12.780 1.00 0.00 H ATOM 1068 HD1 TRP A 147 85.014 65.919 14.037 1.00 0.00 H ATOM 1069 HZ2 TRP A 147 84.820 62.546 10.319 1.00 0.00 H ATOM 1070 HH2 TRP A 147 83.535 63.029 8.238 1.00 0.00 H ATOM 1071 HZ3 TRP A 147 82.325 65.156 7.946 1.00 0.00 H ATOM 1072 HE3 TRP A 147 82.344 66.908 9.713 1.00 0.00 H ATOM 1073 H TRP A 147 85.731 68.956 12.925 1.00 0.00 H ATOM 1074 N PHE A 148 83.683 71.086 12.886 1.00 20.65 N ATOM 1075 CA PHE A 148 83.014 72.344 13.237 1.00 20.71 C ATOM 1076 C PHE A 148 83.983 73.528 13.194 1.00 20.75 C ATOM 1077 O PHE A 148 84.157 74.237 14.184 1.00 20.53 O ATOM 1078 CB PHE A 148 82.351 72.230 14.613 1.00 20.10 C ATOM 1079 CG PHE A 148 81.627 70.932 14.830 1.00 20.15 C ATOM 1080 CD1 PHE A 148 80.502 70.610 14.082 1.00 22.22 C ATOM 1081 CD2 PHE A 148 82.074 70.028 15.781 1.00 20.82 C ATOM 1082 CE1 PHE A 148 79.839 69.407 14.282 1.00 22.84 C ATOM 1083 CE2 PHE A 148 81.415 68.829 15.986 1.00 21.88 C ATOM 1084 CZ PHE A 148 80.298 68.516 15.236 1.00 22.59 C ATOM 1085 HA PHE A 148 82.240 72.531 12.493 1.00 0.00 H ATOM 1086 HB2 PHE A 148 83.123 72.325 15.376 1.00 0.00 H ATOM 1087 HB3 PHE A 148 81.635 73.045 14.719 1.00 0.00 H ATOM 1088 HD2 PHE A 148 82.957 70.265 16.375 1.00 0.00 H ATOM 1089 HE2 PHE A 148 81.778 68.131 16.740 1.00 0.00 H ATOM 1090 HZ PHE A 148 79.780 67.570 15.395 1.00 0.00 H ATOM 1091 HE1 PHE A 148 78.958 69.164 13.688 1.00 0.00 H ATOM 1092 HD1 PHE A 148 80.136 71.309 13.330 1.00 0.00 H ATOM 1093 H PHE A 148 84.568 70.832 13.370 1.00 0.00 H ATOM 1094 N PRO A 149 84.588 73.778 12.019 1.00 22.50 N ATOM 1095 CA PRO A 149 85.628 74.801 11.905 1.00 22.83 C ATOM 1096 C PRO A 149 85.172 76.240 12.185 1.00 22.88 C ATOM 1097 O PRO A 149 86.019 77.100 12.410 1.00 24.91 O ATOM 1098 CB PRO A 149 86.094 74.665 10.452 1.00 24.57 C ATOM 1099 CG PRO A 149 84.930 74.066 9.735 1.00 25.10 C ATOM 1100 CD PRO A 149 84.325 73.120 10.726 1.00 23.63 C ATOM 1101 HA PRO A 149 86.398 74.637 12.659 1.00 0.00 H ATOM 1102 HD3 PRO A 149 83.255 73.006 10.555 1.00 0.00 H ATOM 1103 HD2 PRO A 149 84.806 72.143 10.679 1.00 0.00 H ATOM 1104 HG3 PRO A 149 85.259 73.532 8.844 1.00 0.00 H ATOM 1105 HG2 PRO A 149 84.214 74.837 9.451 1.00 0.00 H ATOM 1106 HB2 PRO A 149 86.342 75.641 10.035 1.00 0.00 H ATOM 1107 HB3 PRO A 149 86.964 74.011 10.387 1.00 0.00 H ATOM 1108 N GLY A 150 83.863 76.492 12.176 1.00 23.01 N ATOM 1109 CA GLY A 150 83.322 77.829 12.438 1.00 23.80 C ATOM 1110 C GLY A 150 83.031 78.129 13.899 1.00 22.47 C ATOM 1111 O GLY A 150 82.573 79.222 14.229 1.00 23.63 O ATOM 1112 HA3 GLY A 150 82.392 77.933 11.879 1.00 0.00 H ATOM 1113 HA2 GLY A 150 84.044 78.563 12.079 1.00 0.00 H ATOM 1114 H GLY A 150 83.203 75.713 11.976 1.00 0.00 H ATOM 1115 N CYS A 151 83.293 77.167 14.779 1.00 19.56 N ATOM 1116 CA CYS A 151 83.025 77.340 16.201 1.00 19.85 C ATOM 1117 C CYS A 151 83.904 78.439 16.791 1.00 20.30 C ATOM 1118 O CYS A 151 85.124 78.406 16.642 1.00 20.03 O ATOM 1119 CB CYS A 151 83.303 76.043 16.941 1.00 19.28 C ATOM 1120 SG CYS A 151 83.090 76.166 18.722 1.00 17.67 S ATOM 1121 HA CYS A 151 81.978 77.620 16.314 1.00 0.00 H ATOM 1122 HB2 CYS A 151 84.331 75.744 16.737 1.00 0.00 H ATOM 1123 HB3 CYS A 151 82.622 75.279 16.565 1.00 0.00 H ATOM 1124 HG CYS A 151 83.364 74.944 19.302 1.00 0.00 H ATOM 1125 H CYS A 151 83.699 76.270 14.444 1.00 0.00 H ATOM 1126 N GLN A 152 83.289 79.393 17.482 1.00 20.13 N ATOM 1127 CA GLN A 152 84.029 80.530 18.015 1.00 21.37 C ATOM 1128 C GLN A 152 84.849 80.199 19.256 1.00 18.93 C ATOM 1129 O GLN A 152 85.874 80.833 19.498 1.00 19.41 O ATOM 1130 CB GLN A 152 83.087 81.710 18.281 1.00 23.99 C ATOM 1131 CG GLN A 152 82.487 82.277 17.004 1.00 28.53 C ATOM 1132 CD GLN A 152 83.544 82.791 16.042 1.00 33.21 C ATOM 1133 OE1 GLN A 152 84.179 83.817 16.292 1.00 40.70 O ATOM 1134 NE2 GLN A 152 83.748 82.070 14.940 1.00 37.66 N ATOM 1135 HA GLN A 152 84.750 80.811 17.247 1.00 0.00 H ATOM 1136 HB2 GLN A 152 82.277 81.372 18.928 1.00 0.00 H ATOM 1137 HB3 GLN A 152 83.647 82.498 18.784 1.00 0.00 H ATOM 1138 HG2 GLN A 152 81.915 81.493 16.508 1.00 0.00 H ATOM 1139 HG3 GLN A 152 81.822 83.100 17.265 1.00 0.00 H ATOM 1140 HE22 GLN A 152 83.188 81.210 14.770 1.00 0.00 H ATOM 1141 HE21 GLN A 152 84.467 82.367 14.250 1.00 0.00 H ATOM 1142 H GLN A 152 82.264 79.327 17.645 1.00 0.00 H ATOM 1143 N PHE A 153 84.397 79.224 20.044 1.00 18.00 N ATOM 1144 CA PHE A 153 85.201 78.696 21.145 1.00 17.05 C ATOM 1145 C PHE A 153 86.488 78.049 20.624 1.00 17.22 C ATOM 1146 O PHE A 153 87.570 78.284 21.162 1.00 18.75 O ATOM 1147 CB PHE A 153 84.407 77.687 21.973 1.00 16.50 C ATOM 1148 CG PHE A 153 85.216 77.027 23.044 1.00 15.56 C ATOM 1149 CD1 PHE A 153 85.562 77.723 24.192 1.00 15.91 C ATOM 1150 CD2 PHE A 153 85.652 75.717 22.899 1.00 15.69 C ATOM 1151 CE1 PHE A 153 86.316 77.121 25.185 1.00 17.54 C ATOM 1152 CE2 PHE A 153 86.406 75.113 23.885 1.00 15.77 C ATOM 1153 CZ PHE A 153 86.735 75.810 25.033 1.00 16.71 C ATOM 1154 HA PHE A 153 85.468 79.536 21.786 1.00 0.00 H ATOM 1155 HB2 PHE A 153 83.571 78.206 22.442 1.00 0.00 H ATOM 1156 HB3 PHE A 153 84.025 76.916 21.304 1.00 0.00 H ATOM 1157 HD2 PHE A 153 85.396 75.160 21.998 1.00 0.00 H ATOM 1158 HE2 PHE A 153 86.743 74.084 23.758 1.00 0.00 H ATOM 1159 HZ PHE A 153 87.322 75.329 25.815 1.00 0.00 H ATOM 1160 HE1 PHE A 153 86.579 77.678 26.084 1.00 0.00 H ATOM 1161 HD1 PHE A 153 85.237 78.756 24.314 1.00 0.00 H ATOM 1162 H PHE A 153 83.450 78.829 19.872 1.00 0.00 H ATOM 1163 N LEU A 154 86.358 77.230 19.587 1.00 16.71 N ATOM 1164 CA LEU A 154 87.511 76.653 18.901 1.00 17.58 C ATOM 1165 C LEU A 154 88.465 77.749 18.429 1.00 17.91 C ATOM 1166 O LEU A 154 89.671 77.682 18.690 1.00 17.87 O ATOM 1167 CB LEU A 154 87.053 75.813 17.709 1.00 17.62 C ATOM 1168 CG LEU A 154 88.107 75.317 16.718 1.00 19.76 C ATOM 1169 CD1 LEU A 154 89.023 74.289 17.366 1.00 19.81 C ATOM 1170 CD2 LEU A 154 87.414 74.740 15.494 1.00 19.80 C ATOM 1171 HA LEU A 154 88.040 76.012 19.606 1.00 0.00 H ATOM 1172 HB2 LEU A 154 86.548 74.934 18.109 1.00 0.00 H ATOM 1173 HB3 LEU A 154 86.340 76.415 17.146 1.00 0.00 H ATOM 1174 HG LEU A 154 88.731 76.156 16.409 1.00 0.00 H ATOM 1175 HD21 LEU A 154 86.777 73.909 15.797 1.00 0.00 H ATOM 1176 HD22 LEU A 154 86.806 75.513 15.024 1.00 0.00 H ATOM 1177 HD23 LEU A 154 88.164 74.386 14.787 1.00 0.00 H ATOM 1178 HD11 LEU A 154 89.529 74.742 18.219 1.00 0.00 H ATOM 1179 HD12 LEU A 154 88.431 73.438 17.703 1.00 0.00 H ATOM 1180 HD13 LEU A 154 89.762 73.954 16.639 1.00 0.00 H ATOM 1181 H LEU A 154 85.403 76.991 19.252 1.00 0.00 H ATOM 1182 N LEU A 155 87.928 78.748 17.731 1.00 18.83 N ATOM 1183 CA LEU A 155 88.750 79.850 17.219 1.00 20.11 C ATOM 1184 C LEU A 155 89.481 80.580 18.340 1.00 20.79 C ATOM 1185 O LEU A 155 90.693 80.766 18.275 1.00 19.76 O ATOM 1186 CB LEU A 155 87.898 80.843 16.422 1.00 21.17 C ATOM 1187 CG LEU A 155 88.603 82.111 15.923 1.00 22.12 C ATOM 1188 CD1 LEU A 155 89.825 81.770 15.080 1.00 23.45 C ATOM 1189 CD2 LEU A 155 87.628 82.974 15.137 1.00 23.47 C ATOM 1190 HA LEU A 155 89.496 79.410 16.558 1.00 0.00 H ATOM 1191 HB2 LEU A 155 87.507 80.318 15.551 1.00 0.00 H ATOM 1192 HB3 LEU A 155 87.070 81.154 17.059 1.00 0.00 H ATOM 1193 HG LEU A 155 88.950 82.673 16.790 1.00 0.00 H ATOM 1194 HD21 LEU A 155 87.254 82.411 14.282 1.00 0.00 H ATOM 1195 HD22 LEU A 155 86.794 83.256 15.780 1.00 0.00 H ATOM 1196 HD23 LEU A 155 88.139 83.871 14.788 1.00 0.00 H ATOM 1197 HD11 LEU A 155 90.530 81.194 15.680 1.00 0.00 H ATOM 1198 HD12 LEU A 155 89.516 81.182 14.216 1.00 0.00 H ATOM 1199 HD13 LEU A 155 90.301 82.691 14.743 1.00 0.00 H ATOM 1200 H LEU A 155 86.905 78.747 17.545 1.00 0.00 H ATOM 1201 N ARG A 156 88.739 80.979 19.369 1.00 21.14 N ATOM 1202 CA ARG A 156 89.314 81.712 20.496 1.00 23.26 C ATOM 1203 C ARG A 156 90.392 80.903 21.213 1.00 21.06 C ATOM 1204 O ARG A 156 91.395 81.460 21.663 1.00 20.11 O ATOM 1205 CB ARG A 156 88.219 82.108 21.489 1.00 27.92 C ATOM 1206 CG ARG A 156 88.679 83.053 22.591 1.00 37.37 C ATOM 1207 CD ARG A 156 87.555 83.307 23.584 1.00 47.98 C ATOM 1208 NE ARG A 156 87.997 84.072 24.751 1.00 61.80 N ATOM 1209 CZ ARG A 156 87.250 84.317 25.829 1.00 69.41 C ATOM 1210 NH1 ARG A 156 86.003 83.858 25.916 1.00 66.12 N ATOM 1211 NH2 ARG A 156 87.755 85.027 26.834 1.00 73.15 N ATOM 1212 HA ARG A 156 89.782 82.610 20.092 1.00 0.00 H ATOM 1213 HB2 ARG A 156 87.416 82.595 20.935 1.00 0.00 H ATOM 1214 HB3 ARG A 156 87.837 81.200 21.956 1.00 0.00 H ATOM 1215 HG2 ARG A 156 89.526 82.608 23.114 1.00 0.00 H ATOM 1216 HG3 ARG A 156 88.985 84.000 22.146 1.00 0.00 H ATOM 1217 HD2 ARG A 156 87.165 82.347 23.923 1.00 0.00 H ATOM 1218 HD3 ARG A 156 86.764 83.863 23.081 1.00 0.00 H ATOM 1219 HE ARG A 156 88.965 84.453 24.739 1.00 0.00 H ATOM 1220 HH12 ARG A 156 85.433 84.057 26.763 1.00 0.00 H ATOM 1221 HH11 ARG A 156 85.599 83.300 25.137 1.00 0.00 H ATOM 1222 HH22 ARG A 156 87.176 85.220 27.676 1.00 0.00 H ATOM 1223 HH21 ARG A 156 88.728 85.389 26.778 1.00 0.00 H ATOM 1224 H ARG A 156 87.722 80.764 19.372 1.00 0.00 H ATOM 1225 N SER A 157 90.173 79.593 21.313 1.00 19.25 N ATOM 1226 CA SER A 157 91.064 78.702 22.050 1.00 19.06 C ATOM 1227 C SER A 157 92.315 78.338 21.258 1.00 18.82 C ATOM 1228 O SER A 157 93.414 78.360 21.804 1.00 19.90 O ATOM 1229 CB SER A 157 90.332 77.414 22.440 1.00 19.30 C ATOM 1230 OG SER A 157 89.254 77.675 23.329 1.00 19.40 O ATOM 1231 HA SER A 157 91.374 79.246 22.942 1.00 0.00 H ATOM 1232 HB2 SER A 157 91.037 76.739 22.926 1.00 0.00 H ATOM 1233 HB3 SER A 157 89.941 76.942 21.539 1.00 0.00 H ATOM 1234 HG SER A 157 89.602 78.099 24.153 1.00 0.00 H ATOM 1235 H SER A 157 89.335 79.189 20.848 1.00 0.00 H ATOM 1236 N LYS A 158 92.137 77.986 19.987 1.00 19.13 N ATOM 1237 CA LYS A 158 93.210 77.393 19.178 1.00 20.77 C ATOM 1238 C LYS A 158 93.741 78.284 18.066 1.00 20.48 C ATOM 1239 O LYS A 158 94.827 78.024 17.547 1.00 20.51 O ATOM 1240 CB LYS A 158 92.740 76.067 18.563 1.00 21.23 C ATOM 1241 CG LYS A 158 92.359 74.991 19.574 1.00 21.56 C ATOM 1242 CD LYS A 158 93.515 74.568 20.476 1.00 23.40 C ATOM 1243 CE LYS A 158 94.528 73.700 19.751 1.00 26.53 C ATOM 1244 NZ LYS A 158 95.704 73.396 20.610 1.00 28.23 N ATOM 1245 HA LYS A 158 94.034 77.242 19.875 1.00 0.00 H ATOM 1246 HB2 LYS A 158 91.869 76.272 17.941 1.00 0.00 H ATOM 1247 HB3 LYS A 158 93.546 75.677 17.941 1.00 0.00 H ATOM 1248 HG2 LYS A 158 91.554 75.375 20.201 1.00 0.00 H ATOM 1249 HG3 LYS A 158 92.007 74.115 19.030 1.00 0.00 H ATOM 1250 HD2 LYS A 158 94.019 75.462 20.842 1.00 0.00 H ATOM 1251 HD3 LYS A 158 93.114 74.007 21.320 1.00 0.00 H ATOM 1252 HE2 LYS A 158 94.868 74.224 18.858 1.00 0.00 H ATOM 1253 HE3 LYS A 158 94.050 72.764 19.462 1.00 0.00 H ATOM 1254 HZ1 LYS A 158 96.170 74.284 20.885 1.00 0.00 H ATOM 1255 HZ2 LYS A 158 95.388 72.890 21.462 1.00 0.00 H ATOM 1256 HZ3 LYS A 158 96.374 72.802 20.081 1.00 0.00 H ATOM 1257 H LYS A 158 91.205 78.136 19.551 1.00 0.00 H ATOM 1258 N GLY A 159 92.982 79.307 17.676 1.00 20.30 N ATOM 1259 CA GLY A 159 93.418 80.235 16.637 1.00 21.36 C ATOM 1260 C GLY A 159 93.124 79.755 15.226 1.00 22.32 C ATOM 1261 O GLY A 159 92.897 78.563 14.990 1.00 21.10 O ATOM 1262 HA3 GLY A 159 94.494 80.380 16.734 1.00 0.00 H ATOM 1263 HA2 GLY A 159 92.909 81.187 16.790 1.00 0.00 H ATOM 1264 H GLY A 159 92.054 79.448 18.124 1.00 0.00 H ATOM 1265 N GLN A 160 93.150 80.688 14.280 1.00 22.32 N ATOM 1266 CA GLN A 160 92.773 80.392 12.899 1.00 23.64 C ATOM 1267 C GLN A 160 93.798 79.517 12.172 1.00 24.61 C ATOM 1268 O GLN A 160 93.423 78.691 11.339 1.00 25.88 O ATOM 1269 CB GLN A 160 92.534 81.688 12.116 1.00 25.72 C ATOM 1270 CG GLN A 160 91.826 81.497 10.779 1.00 27.42 C ATOM 1271 CD GLN A 160 90.445 80.882 10.936 1.00 30.23 C ATOM 1272 OE1 GLN A 160 89.596 81.415 11.650 1.00 32.43 O ATOM 1273 NE2 GLN A 160 90.215 79.753 10.271 1.00 29.44 N ATOM 1274 HA GLN A 160 91.847 79.820 12.948 1.00 0.00 H ATOM 1275 HB2 GLN A 160 91.926 82.351 12.732 1.00 0.00 H ATOM 1276 HB3 GLN A 160 93.501 82.155 11.926 1.00 0.00 H ATOM 1277 HG2 GLN A 160 91.724 82.468 10.295 1.00 0.00 H ATOM 1278 HG3 GLN A 160 92.432 80.842 10.152 1.00 0.00 H ATOM 1279 HE22 GLN A 160 90.962 79.337 9.679 1.00 0.00 H ATOM 1280 HE21 GLN A 160 89.288 79.286 10.344 1.00 0.00 H ATOM 1281 H GLN A 160 93.446 81.653 14.529 1.00 0.00 H ATOM 1282 N GLU A 161 95.080 79.699 12.475 1.00 26.02 N ATOM 1283 CA GLU A 161 96.130 78.922 11.809 1.00 28.25 C ATOM 1284 C GLU A 161 95.940 77.433 12.065 1.00 26.16 C ATOM 1285 O GLU A 161 96.018 76.623 11.141 1.00 26.58 O ATOM 1286 CB GLU A 161 97.523 79.352 12.274 1.00 32.55 C ATOM 1287 CG GLU A 161 97.895 80.763 11.860 1.00 37.20 C ATOM 1288 CD GLU A 161 99.342 81.106 12.158 1.00 42.73 C ATOM 1289 OE1 GLU A 161 100.035 80.311 12.837 1.00 44.58 O ATOM 1290 OE2 GLU A 161 99.783 82.183 11.710 1.00 51.15 O ATOM 1291 HA GLU A 161 96.050 79.115 10.739 1.00 0.00 H ATOM 1292 HB2 GLU A 161 97.557 79.292 13.362 1.00 0.00 H ATOM 1293 HB3 GLU A 161 98.255 78.664 11.850 1.00 0.00 H ATOM 1294 HG2 GLU A 161 97.727 80.867 10.788 1.00 0.00 H ATOM 1295 HG3 GLU A 161 97.254 81.463 12.396 1.00 0.00 H ATOM 1296 H GLU A 161 95.342 80.403 13.195 1.00 0.00 H ATOM 1297 N TYR A 162 95.683 77.090 13.325 1.00 23.97 N ATOM 1298 CA TYR A 162 95.403 75.710 13.717 1.00 23.73 C ATOM 1299 C TYR A 162 94.247 75.124 12.912 1.00 24.19 C ATOM 1300 O TYR A 162 94.353 74.021 12.381 1.00 25.78 O ATOM 1301 CB TYR A 162 95.086 75.633 15.213 1.00 22.60 C ATOM 1302 CG TYR A 162 94.728 74.242 15.683 1.00 21.57 C ATOM 1303 CD1 TYR A 162 95.721 73.328 16.030 1.00 23.58 C ATOM 1304 CD2 TYR A 162 93.401 73.835 15.768 1.00 21.48 C ATOM 1305 CE1 TYR A 162 95.400 72.048 16.457 1.00 23.47 C ATOM 1306 CE2 TYR A 162 93.070 72.557 16.193 1.00 21.07 C ATOM 1307 CZ TYR A 162 94.071 71.669 16.534 1.00 22.77 C ATOM 1308 OH TYR A 162 93.740 70.400 16.953 1.00 22.18 O ATOM 1309 HA TYR A 162 96.296 75.121 13.508 1.00 0.00 H ATOM 1310 HB3 TYR A 162 94.246 76.295 15.422 1.00 0.00 H ATOM 1311 HB2 TYR A 162 95.961 75.971 15.769 1.00 0.00 H ATOM 1312 HD2 TYR A 162 92.608 74.532 15.496 1.00 0.00 H ATOM 1313 HE2 TYR A 162 92.025 72.255 16.258 1.00 0.00 H ATOM 1314 HE1 TYR A 162 96.188 71.346 16.730 1.00 0.00 H ATOM 1315 HD1 TYR A 162 96.768 73.624 15.965 1.00 0.00 H ATOM 1316 HH TYR A 162 94.567 69.895 17.157 1.00 0.00 H ATOM 1317 H TYR A 162 95.681 77.830 14.056 1.00 0.00 H ATOM 1318 N ILE A 163 93.153 75.873 12.813 1.00 23.48 N ATOM 1319 CA ILE A 163 91.964 75.413 12.090 1.00 24.20 C ATOM 1320 C ILE A 163 92.278 75.233 10.604 1.00 27.28 C ATOM 1321 O ILE A 163 91.928 74.214 10.004 1.00 28.35 O ATOM 1322 CB ILE A 163 90.777 76.390 12.264 1.00 24.38 C ATOM 1323 CG1 ILE A 163 90.388 76.502 13.744 1.00 23.01 C ATOM 1324 CG2 ILE A 163 89.576 75.926 11.451 1.00 24.67 C ATOM 1325 CD1 ILE A 163 89.380 77.591 14.042 1.00 22.81 C ATOM 1326 HA ILE A 163 91.674 74.452 12.515 1.00 0.00 H ATOM 1327 HB ILE A 163 91.089 77.370 11.903 1.00 0.00 H ATOM 1328 HG12 ILE A 163 89.964 75.548 14.059 1.00 0.00 H ATOM 1329 HG13 ILE A 163 91.291 76.705 14.320 1.00 0.00 H ATOM 1330 HD11 ILE A 163 89.791 78.556 13.746 1.00 0.00 H ATOM 1331 HD12 ILE A 163 88.463 77.398 13.484 1.00 0.00 H ATOM 1332 HD13 ILE A 163 89.162 77.600 15.110 1.00 0.00 H ATOM 1333 HG21 ILE A 163 89.847 75.884 10.396 1.00 0.00 H ATOM 1334 HG22 ILE A 163 89.271 74.936 11.789 1.00 0.00 H ATOM 1335 HG23 ILE A 163 88.753 76.628 11.588 1.00 0.00 H ATOM 1336 H ILE A 163 93.141 76.811 13.261 1.00 0.00 H ATOM 1337 N ASN A 164 92.951 76.223 10.023 1.00 26.91 N ATOM 1338 CA ASN A 164 93.333 76.178 8.613 1.00 31.01 C ATOM 1339 C ASN A 164 94.230 74.986 8.287 1.00 33.07 C ATOM 1340 O ASN A 164 94.065 74.354 7.245 1.00 37.64 O ATOM 1341 CB ASN A 164 94.034 77.477 8.200 1.00 31.25 C ATOM 1342 CG ASN A 164 93.084 78.661 8.106 1.00 32.66 C ATOM 1343 OD1 ASN A 164 91.864 78.515 8.184 1.00 33.12 O ATOM 1344 ND2 ASN A 164 93.649 79.848 7.926 1.00 33.24 N ATOM 1345 HA ASN A 164 92.410 76.063 8.045 1.00 0.00 H ATOM 1346 HB2 ASN A 164 94.803 77.706 8.937 1.00 0.00 H ATOM 1347 HB3 ASN A 164 94.499 77.326 7.226 1.00 0.00 H ATOM 1348 HD22 ASN A 164 94.684 79.927 7.866 1.00 0.00 H ATOM 1349 HD21 ASN A 164 93.057 80.699 7.845 1.00 0.00 H ATOM 1350 H ASN A 164 93.213 77.055 10.590 1.00 0.00 H ATOM 1351 N ASN A 165 95.173 74.681 9.176 1.00 32.73 N ATOM 1352 CA ASN A 165 96.118 73.584 8.941 1.00 36.52 C ATOM 1353 C ASN A 165 95.448 72.205 8.959 1.00 38.25 C ATOM 1354 O ASN A 165 95.874 71.298 8.246 1.00 38.41 O ATOM 1355 CB ASN A 165 97.276 73.637 9.947 1.00 38.52 C ATOM 1356 CG ASN A 165 98.206 74.823 9.717 1.00 44.17 C ATOM 1357 OD1 ASN A 165 98.159 75.480 8.675 1.00 48.19 O ATOM 1358 ND2 ASN A 165 99.061 75.101 10.697 1.00 46.48 N ATOM 1359 HA ASN A 165 96.515 73.726 7.936 1.00 0.00 H ATOM 1360 HB2 ASN A 165 96.861 73.710 10.952 1.00 0.00 H ATOM 1361 HB3 ASN A 165 97.855 72.718 9.860 1.00 0.00 H ATOM 1362 HD22 ASN A 165 99.068 74.522 11.561 1.00 0.00 H ATOM 1363 HD21 ASN A 165 99.722 75.898 10.600 1.00 0.00 H ATOM 1364 H ASN A 165 95.241 75.232 10.055 1.00 0.00 H ATOM 1365 N ILE A 166 94.397 72.052 9.764 1.00 35.16 N ATOM 1366 CA ILE A 166 93.613 70.812 9.776 1.00 39.55 C ATOM 1367 C ILE A 166 92.786 70.671 8.495 1.00 43.52 C ATOM 1368 O ILE A 166 92.593 69.560 7.998 1.00 45.83 O ATOM 1369 CB ILE A 166 92.720 70.722 11.031 1.00 37.74 C ATOM 1370 CG1 ILE A 166 93.599 70.485 12.258 1.00 37.82 C ATOM 1371 CG2 ILE A 166 91.708 69.590 10.911 1.00 38.45 C ATOM 1372 CD1 ILE A 166 92.879 70.664 13.567 1.00 36.85 C ATOM 1373 HA ILE A 166 94.314 69.978 9.814 1.00 0.00 H ATOM 1374 HB ILE A 166 92.173 71.660 11.130 1.00 0.00 H ATOM 1375 HG12 ILE A 166 93.983 69.466 12.214 1.00 0.00 H ATOM 1376 HG13 ILE A 166 94.432 71.188 12.225 1.00 0.00 H ATOM 1377 HD11 ILE A 166 92.498 71.683 13.634 1.00 0.00 H ATOM 1378 HD12 ILE A 166 92.049 69.960 13.623 1.00 0.00 H ATOM 1379 HD13 ILE A 166 93.571 70.478 14.389 1.00 0.00 H ATOM 1380 HG21 ILE A 166 91.071 69.764 10.044 1.00 0.00 H ATOM 1381 HG22 ILE A 166 92.236 68.644 10.792 1.00 0.00 H ATOM 1382 HG23 ILE A 166 91.095 69.555 11.812 1.00 0.00 H ATOM 1383 H ILE A 166 94.126 72.830 10.399 1.00 0.00 H ATOM 1384 N HIS A 167 92.313 71.798 7.965 1.00 47.80 N ATOM 1385 CA HIS A 167 91.664 71.836 6.652 1.00 52.93 C ATOM 1386 C HIS A 167 92.665 72.173 5.585 1.00 58.91 C ATOM 1387 O HIS A 167 92.556 71.716 4.448 1.00 56.63 O ATOM 1388 CB HIS A 167 90.530 72.857 6.635 1.00 55.32 C ATOM 1389 CG HIS A 167 89.217 72.316 7.143 1.00 55.31 C ATOM 1390 ND1 HIS A 167 88.834 72.425 8.430 1.00 55.33 N ATOM 1391 CD2 HIS A 167 88.191 71.646 6.481 1.00 59.54 C ATOM 1392 CE1 HIS A 167 87.624 71.854 8.583 1.00 47.13 C ATOM 1393 NE2 HIS A 167 87.232 71.378 7.391 1.00 57.42 N ATOM 1394 HA HIS A 167 91.247 70.849 6.454 1.00 0.00 H ATOM 1395 HB2 HIS A 167 90.819 73.702 7.260 1.00 0.00 H ATOM 1396 HB3 HIS A 167 90.388 73.197 5.609 1.00 0.00 H ATOM 1397 HD2 HIS A 167 88.167 71.386 5.423 1.00 0.00 H ATOM 1398 HE1 HIS A 167 87.061 71.790 9.514 1.00 0.00 H ATOM 1399 H HIS A 167 92.408 72.683 8.503 1.00 0.00 H TER 1400 HIS A 167 HETATM 1401 ZN ZN A 1 82.403 73.991 19.166 1.00 16.29 ZN HETATM 1402 O HOH 2 96.425 78.765 15.576 1.00 19.87 O HETATM 1403 O HOH 3 72.755 76.678 29.707 1.00 17.80 O HETATM 1404 O HOH 4 90.018 68.816 31.325 1.00 28.16 O HETATM 1405 O HOH 5 92.085 68.786 24.343 1.00 22.10 O HETATM 1406 O HOH 6 86.238 76.332 28.970 1.00 23.29 O HETATM 1407 O HOH 7 77.070 62.861 31.570 1.00 27.76 O HETATM 1408 O HOH 8 93.055 58.577 29.541 1.00 18.74 O HETATM 1409 O HOH 9 91.899 60.060 31.594 1.00 32.48 O HETATM 1410 O HOH 10 81.459 74.933 11.519 1.00 30.07 O HETATM 1411 O HOH 11 74.370 82.283 24.760 1.00 27.08 O HETATM 1412 O HOH 12 92.501 67.505 21.984 1.00 20.54 O HETATM 1413 O HOH 13 79.357 76.345 33.401 1.00 25.68 O HETATM 1414 O HOH 14 79.247 80.066 29.241 1.00 29.96 O HETATM 1415 O HOH 15 85.824 62.555 34.436 1.00 31.59 O HETATM 1416 O HOH 16 86.189 54.123 30.210 1.00 22.36 O HETATM 1417 O HOH 17 86.469 76.752 31.953 1.00 23.99 O HETATM 1418 O HOH 18 94.818 58.052 25.372 1.00 30.12 O HETATM 1419 O HOH 19 96.064 61.431 19.630 1.00 36.80 O HETATM 1420 O HOH 20 89.819 84.222 11.884 1.00 37.16 O HETATM 1421 O HOH 21 86.563 75.101 35.105 1.00 23.28 O HETATM 1422 O HOH 22 86.096 79.217 14.034 1.00 29.81 O HETATM 1423 O HOH 23 80.272 79.387 16.899 1.00 23.66 O HETATM 1424 O HOH 24 84.141 79.014 28.782 1.00 33.79 O HETATM 1425 O HOH 25 89.259 52.745 28.935 1.00 29.66 O HETATM 1426 O HOH 26 91.127 83.410 17.999 1.00 21.99 O HETATM 1427 O HOH 27 88.283 63.004 35.448 1.00 40.96 O HETATM 1428 O HOH 28 96.684 76.016 18.398 1.00 38.60 O HETATM 1429 O HOH 29 94.137 70.076 25.869 1.00 38.30 O HETATM 1430 O HOH 30 88.706 77.309 28.082 1.00 34.48 O HETATM 1431 O HOH 31 95.539 69.161 18.397 1.00 25.81 O HETATM 1432 O HOH 32 94.190 52.124 15.833 1.00 54.57 O HETATM 1433 O HOH 33 96.549 72.280 13.031 1.00 34.95 O HETATM 1434 O HOH 34 97.126 75.766 21.252 1.00 32.27 O HETATM 1435 O HOH 35 82.912 74.965 37.710 1.00 37.38 O HETATM 1436 O HOH 36 92.450 64.826 35.543 1.00 36.84 O HETATM 1437 O HOH 37 73.531 57.542 23.381 1.00 50.08 O HETATM 1438 O HOH 38 95.719 82.625 10.538 1.00 41.36 O HETATM 1439 O HOH 39 90.068 77.167 25.751 1.00 34.95 O HETATM 1440 O HOH 40 84.223 56.390 13.294 1.00 40.93 O HETATM 1441 O HOH 41 92.069 68.444 33.105 1.00 44.88 O HETATM 1442 O HOH 42 87.845 61.755 11.857 1.00 42.32 O HETATM 1443 O HOH 43 95.581 72.454 4.496 1.00 56.57 O HETATM 1444 O HOH 44 77.865 82.502 29.041 1.00 41.03 O HETATM 1445 O HOH 45 73.926 83.932 22.283 1.00 49.29 O HETATM 1446 O HOH 46 91.575 67.490 35.740 1.00 42.37 O HETATM 1447 O HOH 47 102.314 81.356 11.290 1.00 43.01 O HETATM 1448 O HOH 48 78.727 67.816 34.874 1.00 36.05 O HETATM 1449 O HOH 49 90.294 74.653 27.060 1.00 36.54 O HETATM 1450 O HOH 50 86.231 59.677 33.850 1.00 50.46 O HETATM 1451 O HOH 51 96.262 70.743 20.663 1.00 43.64 O HETATM 1452 O HOH 52 88.133 86.322 23.028 1.00 48.88 O HETATM 1453 O HOH 53 89.265 76.398 32.172 1.00 39.51 O HETATM 1454 O HOH 54 77.975 65.387 35.877 1.00 27.68 O HETATM 1455 O HOH 55 87.440 78.562 10.268 1.00 36.29 O HETATM 1456 O HOH 56 74.581 62.814 29.720 1.00 35.07 O HETATM 1457 O HOH 57 95.469 63.339 21.472 1.00 29.01 O HETATM 1458 O HOH 58 93.352 61.565 22.391 1.00 33.81 O HETATM 1459 O HOH 59 75.715 60.442 31.455 1.00 33.51 O HETATM 1460 O HOH 60 82.038 81.090 25.839 1.00 42.43 O HETATM 1461 O HOH 61 74.460 62.251 35.192 1.00 27.74 O HETATM 1462 O HOH 62 79.075 84.785 20.806 1.00 47.40 O HETATM 1463 O HOH 63 80.845 83.796 25.310 1.00 46.13 O HETATM 1464 O HOH 64 91.979 63.038 15.609 1.00 26.25 O HETATM 1465 O HOH 65 72.154 69.468 26.093 1.00 24.06 O HETATM 1466 O HOH 66 89.041 68.006 39.567 1.00 27.89 O HETATM 1467 O HOH 67 76.024 68.085 15.345 1.00 32.49 O HETATM 1468 O HOH 68 89.174 52.366 17.853 1.00 38.80 O HETATM 1469 O HOH 69 83.468 54.221 19.523 1.00 37.86 O HETATM 1470 O HOH 70 92.393 57.872 15.748 1.00 31.45 O HETATM 1471 O HOH 71 78.823 55.689 18.364 1.00 39.65 O HETATM 1472 O HOH 72 84.605 81.349 23.694 1.00 42.21 O HETATM 1473 O HOH 73 74.501 84.508 19.412 1.00 49.68 O HETATM 1474 O HOH 74 87.249 80.919 25.995 1.00 41.54 O HETATM 1475 O HOH 75 89.091 71.140 34.579 1.00 40.60 O HETATM 1476 O HOH 76 76.200 58.532 24.452 1.00 26.54 O HETATM 1477 O HOH 77 72.752 56.862 26.374 1.00 45.40 O HETATM 1478 O HOH 78 85.111 61.223 36.564 1.00 40.77 O HETATM 1479 O HOH 79 83.843 83.754 22.210 1.00 49.45 O HETATM 1480 O HOH 80 79.732 79.053 32.342 1.00 45.38 O HETATM 1481 O HOH 81 71.549 63.321 31.370 1.00 53.94 O HETATM 1482 O HOH 82 80.111 68.670 10.189 1.00 42.30 O HETATM 1483 O HOH 83 72.630 60.448 31.431 1.00 45.63 O HETATM 1484 O HOH 84 79.984 75.707 13.882 1.00 50.76 O HETATM 1485 O HOH 85 72.021 60.989 17.881 1.00 46.22 O HETATM 1486 N MAA A 86 86.359 60.304 14.792 1.00 0.24 N HETATM 1487 CM MAA A 86 86.457 59.117 13.918 1.00 -0.04 C HETATM 1488 H3 MAA A 86 87.503 58.974 13.610 1.00 0.08 H HETATM 1489 H4 MAA A 86 85.829 59.265 13.027 1.00 0.08 H HETATM 1490 H5 MAA A 86 86.111 58.228 14.466 1.00 0.08 H HETATM 1491 CA MAA A 86 84.981 60.564 15.249 1.00 0.06 C HETATM 1492 CB MAA A 86 85.012 61.583 16.393 1.00 -0.00 C HETATM 1493 H7 MAA A 86 83.986 61.780 16.737 1.00 0.03 H HETATM 1494 H8 MAA A 86 85.465 62.520 16.037 1.00 0.03 H HETATM 1495 H9 MAA A 86 85.607 61.181 17.226 1.00 0.03 H HETATM 1496 C MAA A 86 84.168 61.126 14.112 1.00 0.23 C HETATM 1497 O MAA A 86 84.744 61.638 13.166 1.00 -0.39 O HETATM 1498 N MAA A 86 82.821 61.039 14.164 1.00 -0.26 N HETATM 1499 CA MAA A 86 81.976 61.574 13.084 1.00 0.13 C HETATM 1500 C MAA A 86 80.815 62.311 13.699 1.00 0.21 C HETATM 1501 O MAA A 86 80.374 61.971 14.788 1.00 -0.39 O HETATM 1502 N MAA A 86 80.237 63.338 13.043 1.00 -0.25 N HETATM 1503 CA MAA A 86 79.101 64.095 13.567 1.00 0.14 C HETATM 1504 C MAA A 86 77.900 63.199 13.715 1.00 0.25 C HETATM 1505 O MAA A 86 77.680 62.353 12.867 1.00 -0.37 O HETATM 1506 N25 MAA A 86 77.090 63.329 14.791 1.00 -0.19 N HETATM 1507 C26 MAA A 86 75.954 62.538 14.939 1.00 0.20 C HETATM 1508 C27 MAA A 86 75.141 62.345 16.047 1.00 0.11 C HETATM 1509 N28 MAA A 86 74.119 61.534 15.836 1.00 -0.21 N HETATM 1510 N29 MAA A 86 73.939 61.026 14.677 1.00 -0.16 N HETATM 1511 S30 MAA A 86 75.195 61.604 13.697 1.00 0.09 S HETATM 1512 C31 MAA A 86 75.356 62.931 17.395 1.00 -0.03 C HETATM 1513 C32 MAA A 86 74.292 63.558 18.062 1.00 -0.07 C HETATM 1514 C33 MAA A 86 74.480 64.088 19.331 1.00 -0.07 C HETATM 1515 C34 MAA A 86 75.722 63.988 19.946 1.00 -0.07 C HETATM 1516 C35 MAA A 86 76.774 63.360 19.295 1.00 -0.07 C HETATM 1517 C36 MAA A 86 76.599 62.829 18.025 1.00 -0.07 C HETATM 1518 H35 MAA A 86 77.424 62.337 17.523 1.00 0.05 H HETATM 1519 H34 MAA A 86 77.740 63.284 19.782 1.00 0.06 H HETATM 1520 H33 MAA A 86 75.869 64.402 20.937 1.00 0.05 H HETATM 1521 H32 MAA A 86 73.659 64.579 19.841 1.00 0.06 H HETATM 1522 H31 MAA A 86 73.321 63.629 17.585 1.00 0.05 H HETATM 1523 H30 MAA A 86 77.311 64.006 15.493 1.00 0.25 H HETATM 1524 CB MAA A 86 78.779 65.218 12.560 1.00 -0.01 C HETATM 1525 CG MAA A 86 80.111 65.376 11.790 1.00 -0.03 C HETATM 1526 CD MAA A 86 80.601 63.909 11.725 1.00 0.04 C HETATM 1527 H28 MAA A 86 80.096 63.366 10.913 1.00 0.05 H HETATM 1528 H29 MAA A 86 81.689 63.869 11.571 1.00 0.05 H HETATM 1529 H26 MAA A 86 80.820 66.013 12.339 1.00 0.03 H HETATM 1530 H27 MAA A 86 79.948 65.791 10.784 1.00 0.03 H HETATM 1531 H24 MAA A 86 78.507 66.150 13.078 1.00 0.03 H HETATM 1532 H25 MAA A 86 77.963 64.923 11.884 1.00 0.03 H HETATM 1533 H23 MAA A 86 79.360 64.528 14.544 1.00 0.08 H HETATM 1534 C1 MAA A 86 81.436 60.468 12.147 1.00 -0.00 C HETATM 1535 C2 MAA A 86 80.565 59.442 12.900 1.00 -0.05 C HETATM 1536 C3 MAA A 86 80.025 58.383 11.925 1.00 -0.05 C HETATM 1537 C4 MAA A 86 81.189 57.678 11.214 1.00 -0.05 C HETATM 1538 C5 MAA A 86 82.037 58.702 10.445 1.00 -0.05 C HETATM 1539 C6 MAA A 86 82.592 59.757 11.414 1.00 -0.05 C HETATM 1540 H21 MAA A 86 83.243 59.266 12.152 1.00 0.03 H HETATM 1541 H22 MAA A 86 83.174 60.499 10.848 1.00 0.03 H HETATM 1542 H19 MAA A 86 81.412 59.197 9.687 1.00 0.03 H HETATM 1543 H20 MAA A 86 82.873 58.185 9.951 1.00 0.03 H HETATM 1544 H17 MAA A 86 80.788 56.935 10.509 1.00 0.03 H HETATM 1545 H18 MAA A 86 81.819 57.172 11.961 1.00 0.03 H HETATM 1546 H15 MAA A 86 79.383 58.871 11.177 1.00 0.03 H HETATM 1547 H16 MAA A 86 79.437 57.640 12.484 1.00 0.03 H HETATM 1548 H13 MAA A 86 79.720 59.962 13.375 1.00 0.03 H HETATM 1549 H14 MAA A 86 81.172 58.948 13.672 1.00 0.03 H HETATM 1550 H12 MAA A 86 80.802 60.953 11.390 1.00 0.03 H HETATM 1551 H11 MAA A 86 82.575 62.276 12.486 1.00 0.08 H HETATM 1552 H10 MAA A 86 82.389 60.602 14.953 1.00 0.19 H HETATM 1553 H6 MAA A 86 84.526 59.626 15.600 1.00 0.11 H HETATM 1554 H1 MAA A 86 86.686 61.109 14.280 1.00 0.20 H HETATM 1555 H2 MAA A 86 86.944 60.159 15.600 1.00 0.20 H CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 695 694 699 1401 CONECT 746 745 750 1401 CONECT 1011 1009 1010 1401 CONECT 1120 1119 1124 1401 CONECT 1401 695 746 1011 1120 CONECT 1486 1487 1491 1554 1555 CONECT 1487 1486 1488 1489 1490 CONECT 1488 1487 CONECT 1489 1487 CONECT 1490 1487 CONECT 1491 1486 1492 1496 1553 CONECT 1492 1491 1493 1494 1495 CONECT 1493 1492 CONECT 1494 1492 CONECT 1495 1492 CONECT 1496 1491 1497 1498 CONECT 1497 1496 CONECT 1498 1496 1499 1552 CONECT 1499 1498 1500 1534 1551 CONECT 1500 1499 1501 1502 CONECT 1501 1500 CONECT 1502 1500 1503 1526 CONECT 1503 1502 1504 1524 1533 CONECT 1504 1503 1505 1506 CONECT 1505 1504 CONECT 1506 1504 1507 1523 CONECT 1507 1506 1508 1511 CONECT 1508 1507 1509 1512 CONECT 1509 1508 1510 CONECT 1510 1509 1511 CONECT 1511 1507 1510 CONECT 1512 1508 1513 1517 CONECT 1513 1512 1514 1522 CONECT 1514 1513 1515 1521 CONECT 1515 1514 1516 1520 CONECT 1516 1515 1517 1519 CONECT 1517 1512 1516 1518 CONECT 1518 1517 CONECT 1519 1516 CONECT 1520 1515 CONECT 1521 1514 CONECT 1522 1513 CONECT 1523 1506 CONECT 1524 1503 1525 1531 1532 CONECT 1525 1524 1526 1529 1530 CONECT 1526 1502 1525 1527 1528 CONECT 1527 1526 CONECT 1528 1526 CONECT 1529 1525 CONECT 1530 1525 CONECT 1531 1524 CONECT 1532 1524 CONECT 1533 1503 CONECT 1534 1499 1535 1539 1550 CONECT 1535 1534 1536 1548 1549 CONECT 1536 1535 1537 1546 1547 CONECT 1537 1536 1538 1544 1545 CONECT 1538 1537 1539 1542 1543 CONECT 1539 1534 1538 1540 1541 CONECT 1540 1539 CONECT 1541 1539 CONECT 1542 1538 CONECT 1543 1538 CONECT 1544 1537 CONECT 1545 1537 CONECT 1546 1536 CONECT 1547 1536 CONECT 1548 1535 CONECT 1549 1535 CONECT 1550 1534 CONECT 1551 1499 CONECT 1552 1498 CONECT 1553 1491 CONECT 1554 1486 CONECT 1555 1486 MASTER 0 0 0 0 0 0 0 0 1554 1 79 7 END
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Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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RCSB PDB
PDBbind
140aa, >1OXN_1|Chains... *
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133aa, >3GTA_1|Chains... at 90%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1a07
RCSB PDB
PDBbind
4-mer
1a08
RCSB PDB
PDBbind
4-mer
1a09
RCSB PDB
PDBbind
4-mer
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PDBbind
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4-mer
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RCSB PDB
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RCSB PDB
PDBbind
4-mer
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RCSB PDB
PDBbind
4-mer
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RCSB PDB
PDBbind
4-mer
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RCSB PDB
PDBbind
4-mer
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RCSB PDB
PDBbind
4-mer
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RCSB PDB
PDBbind
4-mer
1lkl
RCSB PDB
PDBbind
4-mer
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RCSB PDB
PDBbind
4-mer
1n51
RCSB PDB
PDBbind
4-mer
1pop
RCSB PDB
PDBbind
4-mer
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RCSB PDB
PDBbind
4-mer
1s3k
RCSB PDB
PDBbind
4-mer
1tl9
RCSB PDB
PDBbind
4-mer
1ukt
RCSB PDB
PDBbind
4-mer
1y3p
RCSB PDB
PDBbind
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RCSB PDB
PDBbind
4-mer
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PDBbind
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RCSB PDB
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RCSB PDB
PDBbind
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2x85
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PDBbind
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2xe4
RCSB PDB
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PDBbind
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3mp6
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PDBbind
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3qmk
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PDBbind
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3uec
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RCSB PDB
PDBbind
4-mer
3uw4
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3zyb
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PDBbind
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4b9h
RCSB PDB
PDBbind
4-mer
4c16
RCSB PDB
PDBbind
4-mer
4c1t
RCSB PDB
PDBbind
4-mer
4dxg
RCSB PDB
PDBbind
4-mer
4fgt
RCSB PDB
PDBbind
4-mer
4fzc
RCSB PDB
PDBbind
4-mer
4fzg
RCSB PDB
PDBbind
4-mer
4gk7
RCSB PDB
PDBbind
4-mer
4hp0
RCSB PDB
PDBbind
4-mer
4i67
RCSB PDB
PDBbind
4-mer
4imq
RCSB PDB
PDBbind
4-mer
4imz
RCSB PDB
PDBbind
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4in9
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4-mer
4inh
RCSB PDB
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4j44
RCSB PDB
PDBbind
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4j45
RCSB PDB
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4-mer
4j46
RCSB PDB
PDBbind
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4j47
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4j48
RCSB PDB
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4k66
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PDBbind
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5f2u
RCSB PDB
PDBbind
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5f90
RCSB PDB
PDBbind
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5izj
RCSB PDB
PDBbind
4-mer
5jop
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PDBbind
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5jy0
RCSB PDB
PDBbind
4-mer
5tdb
RCSB PDB
PDBbind
4-mer
5vi6
RCSB PDB
PDBbind
4-mer
5wxp
RCSB PDB
PDBbind
4-mer
5yzd
RCSB PDB
PDBbind
4-mer
5zmq
RCSB PDB
PDBbind
4-mer
5zms
RCSB PDB
PDBbind
4-mer
6cct
RCSB PDB
PDBbind
4-mer
6ccu
RCSB PDB
PDBbind
4-mer
6cd8
RCSB PDB
PDBbind
4-mer
6cd9
RCSB PDB
PDBbind
4-mer
6cdc
RCSB PDB
PDBbind
4-mer
6m8w
RCSB PDB
PDBbind
4-mer
6m8y
RCSB PDB
PDBbind
4-mer
6m9f
RCSB PDB
PDBbind
4-mer
6msy
RCSB PDB
PDBbind
4-mer
6mu3
RCSB PDB
PDBbind
4-mer
6pu3
RCSB PDB
PDBbind
4-mer
6prg
RCSB PDB
PDBbind
4-mer
6n3f
RCSB PDB
PDBbind
4-mer
6jjn
RCSB PDB
PDBbind
4-mer
6jjm
RCSB PDB
PDBbind
4-mer
6hop
RCSB PDB
PDBbind
4-mer
Entry Information
PDB ID
3uw5
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
BIR domain of MLIAP
Ligand Name
4-mer
EC.Number
E.C.6.3.2
Resolution
1.71(Å)
Affinity (Kd/Ki/IC50)
Ki=0.014uM
Release Year
2012
Protein/NA Sequence
Check fasta file
Primary Reference
(2012) J.Med.Chem. Vol. 55: pp. 4101-4113
Ligand Properties
Formula
C
2
5
H
3
5
N
6
O
3
S
Molecular Weight
499.649
Exact Mass
499.249
No. of atoms
70
No. of bonds
73
Polar Surface Area
149.14
LOGP Value
3.42 (
Computed with XLOGP3
)
2.18 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 4
Canonical SMILES
C[NH2+][C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1snnc1c1ccccc1)C1CCCCC1)C
InChI String
InChI=1S/C25H34N6O3S/c1-16(26-2)22(32)27-21(18-12-7-4-8-13-18)25(34)31-15-9-14-19(31)23(33)28-24-20(29-30-35-24)17-10-5-3-6-11-17/h3,5-6,10-11,16,18-19,21,26H,4,7-9,12-15H2,1-2H3,(H,27,32)(H,28,33)/p+1/t16-,19-,21-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P98170
Q96CA5
Entrez Gene ID
NCBI Entrez Gene ID:
331
79444
ASD
Information of known allosteric effects of PDB entries
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