Browse entries in the PDBbind-CN Database
HEADER 2I3I_COMPLEX COMPND 2I3I_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 UNN A 162 70 ATOM 1 N GLY A 78 77.177 84.221 21.458 1.00 2.00 N ATOM 2 CA GLY A 78 77.462 83.465 22.710 1.00 2.00 C ATOM 3 C GLY A 78 77.358 81.978 22.500 1.00 2.00 C ATOM 4 O GLY A 78 77.001 81.509 21.406 1.00 2.00 O ATOM 5 HA3 GLY A 78 76.745 83.765 23.475 1.00 0.00 H ATOM 6 HA2 GLY A 78 78.471 83.705 23.046 1.00 0.00 H ATOM 7 HN3 GLY A 78 76.213 84.003 21.134 1.00 0.00 H ATOM 8 HN2 GLY A 78 77.861 83.945 20.725 1.00 0.00 H ATOM 9 HN1 GLY A 78 77.259 85.241 21.644 1.00 0.00 H ATOM 10 N PRO A 79 77.638 81.219 23.551 1.00 2.00 N ATOM 11 CA PRO A 79 77.584 79.771 23.487 1.00 2.00 C ATOM 12 C PRO A 79 76.169 79.259 23.353 1.00 2.00 C ATOM 13 O PRO A 79 75.235 79.884 23.861 1.00 2.00 O ATOM 14 CB PRO A 79 78.171 79.314 24.828 1.00 2.00 C ATOM 15 CG PRO A 79 78.201 80.491 25.693 1.00 2.00 C ATOM 16 CD PRO A 79 77.966 81.728 24.890 1.00 2.00 C ATOM 17 HA PRO A 79 78.124 79.393 22.619 1.00 0.00 H ATOM 18 HD3 PRO A 79 77.138 82.306 25.300 1.00 0.00 H ATOM 19 HD2 PRO A 79 78.861 82.349 24.861 1.00 0.00 H ATOM 20 HG3 PRO A 79 79.175 80.556 26.179 1.00 0.00 H ATOM 21 HG2 PRO A 79 77.423 80.401 26.451 1.00 0.00 H ATOM 22 HB2 PRO A 79 77.544 78.539 25.269 1.00 0.00 H ATOM 23 HB3 PRO A 79 79.180 78.926 24.685 1.00 0.00 H ATOM 24 N ALA A 80 76.014 78.124 22.681 1.00 2.00 N ATOM 25 CA ALA A 80 74.702 77.484 22.559 1.00 2.00 C ATOM 26 C ALA A 80 74.178 77.014 23.930 1.00 2.00 C ATOM 27 O ALA A 80 72.970 77.145 24.230 1.00 2.00 O ATOM 28 CB ALA A 80 74.764 76.326 21.591 1.00 2.00 C ATOM 29 HA ALA A 80 74.004 78.226 22.171 1.00 0.00 H ATOM 30 HB1 ALA A 80 75.073 76.689 20.611 1.00 0.00 H ATOM 31 HB2 ALA A 80 75.484 75.591 21.951 1.00 0.00 H ATOM 32 HB3 ALA A 80 73.779 75.865 21.515 1.00 0.00 H ATOM 33 H ALA A 80 76.841 77.681 22.232 1.00 0.00 H ATOM 34 N PHE A 81 75.106 76.486 24.739 1.00 2.00 N ATOM 35 CA PHE A 81 74.823 75.909 26.047 1.00 2.00 C ATOM 36 C PHE A 81 75.748 76.549 27.098 1.00 2.00 C ATOM 37 O PHE A 81 76.721 75.948 27.523 1.00 2.00 O ATOM 38 CB PHE A 81 75.037 74.400 25.955 1.00 2.00 C ATOM 39 CG PHE A 81 74.541 73.608 27.153 1.00 2.00 C ATOM 40 CD1 PHE A 81 74.130 74.218 28.324 1.00 2.00 C ATOM 41 CD2 PHE A 81 74.529 72.219 27.100 1.00 2.00 C ATOM 42 CE1 PHE A 81 73.702 73.480 29.399 1.00 2.00 C ATOM 43 CE2 PHE A 81 74.098 71.468 28.200 1.00 2.00 C ATOM 44 CZ PHE A 81 73.686 72.118 29.346 1.00 2.00 C ATOM 45 HA PHE A 81 73.794 76.103 26.350 1.00 0.00 H ATOM 46 HB2 PHE A 81 74.515 74.037 25.070 1.00 0.00 H ATOM 47 HB3 PHE A 81 76.106 74.216 25.846 1.00 0.00 H ATOM 48 HD2 PHE A 81 74.858 71.710 26.194 1.00 0.00 H ATOM 49 HE2 PHE A 81 74.088 70.379 28.152 1.00 0.00 H ATOM 50 HZ PHE A 81 73.348 71.543 30.208 1.00 0.00 H ATOM 51 HE1 PHE A 81 73.371 73.988 30.305 1.00 0.00 H ATOM 52 HD1 PHE A 81 74.146 75.306 28.395 1.00 0.00 H ATOM 53 H PHE A 81 76.093 76.488 24.412 1.00 0.00 H ATOM 54 N PRO A 82 75.426 77.776 27.536 1.00 2.00 N ATOM 55 CA PRO A 82 76.303 78.482 28.486 1.00 2.00 C ATOM 56 C PRO A 82 76.639 77.715 29.761 1.00 2.00 C ATOM 57 O PRO A 82 77.757 77.836 30.265 1.00 2.00 O ATOM 58 CB PRO A 82 75.525 79.757 28.826 1.00 2.00 C ATOM 59 CG PRO A 82 74.504 79.905 27.801 1.00 2.00 C ATOM 60 CD PRO A 82 74.246 78.580 27.170 1.00 2.00 C ATOM 61 HA PRO A 82 77.279 78.648 28.030 1.00 0.00 H ATOM 62 HD3 PRO A 82 73.334 78.133 27.566 1.00 0.00 H ATOM 63 HD2 PRO A 82 74.162 78.676 26.087 1.00 0.00 H ATOM 64 HG3 PRO A 82 74.847 80.609 27.043 1.00 0.00 H ATOM 65 HG2 PRO A 82 73.585 80.279 28.253 1.00 0.00 H ATOM 66 HB2 PRO A 82 75.062 79.665 29.808 1.00 0.00 H ATOM 67 HB3 PRO A 82 76.193 80.619 28.820 1.00 0.00 H ATOM 68 N GLY A 83 75.693 76.918 30.258 1.00 2.00 N ATOM 69 CA GLY A 83 75.878 76.148 31.496 1.00 2.00 C ATOM 70 C GLY A 83 76.972 75.094 31.490 1.00 2.00 C ATOM 71 O GLY A 83 77.383 74.599 32.546 1.00 2.00 O ATOM 72 HA3 GLY A 83 74.936 75.645 31.716 1.00 0.00 H ATOM 73 HA2 GLY A 83 76.105 76.855 32.294 1.00 0.00 H ATOM 74 H GLY A 83 74.789 76.838 29.750 1.00 0.00 H ATOM 75 N MET A 84 77.424 74.714 30.304 1.00 2.00 N ATOM 76 CA MET A 84 78.568 73.817 30.181 1.00 2.00 C ATOM 77 C MET A 84 79.863 74.541 29.739 1.00 2.00 C ATOM 78 O MET A 84 80.764 73.913 29.227 1.00 2.00 O ATOM 79 CB MET A 84 78.208 72.653 29.248 1.00 2.00 C ATOM 80 CG MET A 84 77.464 71.519 29.978 1.00 2.00 C ATOM 81 SD MET A 84 78.435 70.556 31.187 1.00 2.00 S ATOM 82 CE MET A 84 77.430 70.964 32.617 1.00 2.00 C ATOM 83 HA MET A 84 78.791 73.420 31.171 1.00 0.00 H ATOM 84 HB2 MET A 84 77.571 73.030 28.448 1.00 0.00 H ATOM 85 HB3 MET A 84 79.126 72.250 28.821 1.00 0.00 H ATOM 86 HG2 MET A 84 77.093 70.826 29.223 1.00 0.00 H ATOM 87 HG3 MET A 84 76.621 71.963 30.508 1.00 0.00 H ATOM 88 HE1 MET A 84 77.432 72.044 32.765 1.00 0.00 H ATOM 89 HE2 MET A 84 76.409 70.620 32.452 1.00 0.00 H ATOM 90 HE3 MET A 84 77.841 70.475 33.500 1.00 0.00 H ATOM 91 H MET A 84 76.954 75.062 29.444 1.00 0.00 H ATOM 92 N GLY A 85 79.929 75.855 29.943 1.00 2.00 N ATOM 93 CA GLY A 85 81.132 76.646 29.672 1.00 2.00 C ATOM 94 C GLY A 85 82.321 76.396 30.609 1.00 2.00 C ATOM 95 O GLY A 85 83.458 76.717 30.258 1.00 2.00 O ATOM 96 HA3 GLY A 85 80.863 77.700 29.746 1.00 0.00 H ATOM 97 HA2 GLY A 85 81.455 76.425 28.655 1.00 0.00 H ATOM 98 H GLY A 85 79.088 76.342 30.312 1.00 0.00 H ATOM 99 N SER A 86 82.063 75.870 31.808 1.00 2.00 N ATOM 100 CA SER A 86 83.119 75.518 32.763 1.00 2.00 C ATOM 101 C SER A 86 83.747 74.179 32.378 1.00 2.00 C ATOM 102 O SER A 86 83.037 73.194 32.196 1.00 2.00 O ATOM 103 CB SER A 86 82.549 75.409 34.177 1.00 2.00 C ATOM 104 OG SER A 86 83.384 74.609 35.010 1.00 2.00 O ATOM 105 HA SER A 86 83.875 76.303 32.739 1.00 0.00 H ATOM 106 HB2 SER A 86 81.558 74.957 34.127 1.00 0.00 H ATOM 107 HB3 SER A 86 82.470 76.408 34.607 1.00 0.00 H ATOM 108 HG SER A 86 82.990 74.557 35.917 1.00 0.00 H ATOM 109 H SER A 86 81.072 75.703 32.076 1.00 0.00 H ATOM 110 N GLU A 87 85.071 74.145 32.261 1.00 2.00 N ATOM 111 CA GLU A 87 85.785 72.916 31.885 1.00 2.00 C ATOM 112 C GLU A 87 85.575 71.840 32.942 1.00 2.00 C ATOM 113 O GLU A 87 85.334 70.681 32.618 1.00 2.00 O ATOM 114 CB GLU A 87 87.280 73.187 31.692 1.00 2.00 C ATOM 115 CG GLU A 87 88.038 72.038 31.025 1.00 2.00 C ATOM 116 CD GLU A 87 89.544 72.294 30.899 1.00 2.00 C ATOM 117 OE1 GLU A 87 89.975 73.461 30.762 1.00 2.00 O ATOM 118 OE2 GLU A 87 90.318 71.333 30.961 1.00 2.00 O ATOM 119 HA GLU A 87 85.379 72.563 30.937 1.00 0.00 H ATOM 120 HB2 GLU A 87 87.390 74.077 31.072 1.00 0.00 H ATOM 121 HB3 GLU A 87 87.725 73.370 32.670 1.00 0.00 H ATOM 122 HG2 GLU A 87 87.889 71.135 31.618 1.00 0.00 H ATOM 123 HG3 GLU A 87 87.628 71.887 30.026 1.00 0.00 H ATOM 124 H GLU A 87 85.617 75.012 32.440 1.00 0.00 H ATOM 125 N GLU A 88 85.657 72.262 34.201 1.00 2.00 N ATOM 126 CA GLU A 88 85.408 71.416 35.364 1.00 2.00 C ATOM 127 C GLU A 88 84.045 70.680 35.263 1.00 2.00 C ATOM 128 O GLU A 88 83.978 69.447 35.423 1.00 2.00 O ATOM 129 CB GLU A 88 85.512 72.291 36.618 1.00 2.00 C ATOM 130 CG GLU A 88 85.627 71.611 37.969 1.00 2.00 C ATOM 131 CD GLU A 88 86.165 72.594 39.085 1.00 2.00 C ATOM 132 OE1 GLU A 88 87.421 72.880 39.152 1.00 2.00 O ATOM 133 OE2 GLU A 88 85.337 73.083 39.917 1.00 2.00 O ATOM 134 HA GLU A 88 86.156 70.625 35.415 1.00 0.00 H ATOM 135 HB2 GLU A 88 86.394 72.921 36.499 1.00 0.00 H ATOM 136 HB3 GLU A 88 84.621 72.918 36.648 1.00 0.00 H ATOM 137 HG2 GLU A 88 84.643 71.247 38.265 1.00 0.00 H ATOM 138 HG3 GLU A 88 86.313 70.768 37.882 1.00 0.00 H ATOM 139 H GLU A 88 85.914 73.256 34.367 1.00 0.00 H ATOM 140 N LEU A 89 82.976 71.419 34.964 1.00 2.00 N ATOM 141 CA LEU A 89 81.663 70.787 34.839 1.00 2.00 C ATOM 142 C LEU A 89 81.662 69.817 33.658 1.00 2.00 C ATOM 143 O LEU A 89 81.176 68.714 33.785 1.00 2.00 O ATOM 144 CB LEU A 89 80.534 71.813 34.708 1.00 2.00 C ATOM 145 CG LEU A 89 80.377 72.889 35.788 1.00 2.00 C ATOM 146 CD1 LEU A 89 79.074 73.661 35.568 1.00 2.00 C ATOM 147 CD2 LEU A 89 80.393 72.329 37.157 1.00 2.00 C ATOM 148 HA LEU A 89 81.473 70.231 35.757 1.00 0.00 H ATOM 149 HB2 LEU A 89 80.681 72.331 33.760 1.00 0.00 H ATOM 150 HB3 LEU A 89 79.598 71.255 34.674 1.00 0.00 H ATOM 151 HG LEU A 89 81.233 73.557 35.699 1.00 0.00 H ATOM 152 HD21 LEU A 89 79.572 71.621 37.268 1.00 0.00 H ATOM 153 HD22 LEU A 89 81.341 71.818 37.328 1.00 0.00 H ATOM 154 HD23 LEU A 89 80.278 73.137 37.880 1.00 0.00 H ATOM 155 HD11 LEU A 89 79.096 74.136 34.587 1.00 0.00 H ATOM 156 HD12 LEU A 89 78.231 72.972 35.621 1.00 0.00 H ATOM 157 HD13 LEU A 89 78.970 74.424 36.340 1.00 0.00 H ATOM 158 H LEU A 89 83.076 72.444 34.820 1.00 0.00 H ATOM 159 N ARG A 90 82.244 70.199 32.521 1.00 2.00 N ATOM 160 CA ARG A 90 82.320 69.268 31.372 1.00 2.00 C ATOM 161 C ARG A 90 83.048 67.946 31.727 1.00 2.00 C ATOM 162 O ARG A 90 82.588 66.858 31.377 1.00 2.00 O ATOM 163 CB ARG A 90 82.990 69.926 30.159 1.00 2.00 C ATOM 164 CG ARG A 90 82.275 71.166 29.651 1.00 2.00 C ATOM 165 CD ARG A 90 82.686 71.489 28.229 1.00 2.00 C ATOM 166 NE ARG A 90 84.093 71.897 28.121 1.00 2.00 N ATOM 167 CZ ARG A 90 84.546 73.122 28.373 1.00 2.00 C ATOM 168 NH1 ARG A 90 83.728 74.078 28.750 1.00 2.00 N ATOM 169 NH2 ARG A 90 85.838 73.404 28.261 1.00 2.00 N ATOM 170 HA ARG A 90 81.290 69.021 31.114 1.00 0.00 H ATOM 171 HB2 ARG A 90 84.005 70.207 30.439 1.00 0.00 H ATOM 172 HB3 ARG A 90 83.026 69.196 29.350 1.00 0.00 H ATOM 173 HG2 ARG A 90 81.199 70.994 29.680 1.00 0.00 H ATOM 174 HG3 ARG A 90 82.525 72.010 30.294 1.00 0.00 H ATOM 175 HD2 ARG A 90 82.059 72.301 27.861 1.00 0.00 H ATOM 176 HD3 ARG A 90 82.532 70.604 27.612 1.00 0.00 H ATOM 177 HE ARG A 90 84.784 71.177 27.827 1.00 0.00 H ATOM 178 HH12 ARG A 90 84.096 75.031 28.944 1.00 0.00 H ATOM 179 HH11 ARG A 90 82.712 73.882 28.855 1.00 0.00 H ATOM 180 HH22 ARG A 90 86.180 74.366 28.461 1.00 0.00 H ATOM 181 HH21 ARG A 90 86.509 72.663 27.973 1.00 0.00 H ATOM 182 H ARG A 90 82.646 71.155 32.441 1.00 0.00 H ATOM 183 N LEU A 91 84.172 68.051 32.421 1.00 2.00 N ATOM 184 CA LEU A 91 84.943 66.864 32.816 1.00 2.00 C ATOM 185 C LEU A 91 84.140 65.969 33.768 1.00 2.00 C ATOM 186 O LEU A 91 84.212 64.769 33.658 1.00 2.00 O ATOM 187 CB LEU A 91 86.272 67.278 33.473 1.00 2.00 C ATOM 188 CG LEU A 91 87.228 66.161 33.887 1.00 2.00 C ATOM 189 CD1 LEU A 91 87.582 65.264 32.703 1.00 2.00 C ATOM 190 CD2 LEU A 91 88.488 66.737 34.555 1.00 2.00 C ATOM 191 HA LEU A 91 85.157 66.292 31.913 1.00 0.00 H ATOM 192 HB2 LEU A 91 86.802 67.917 32.766 1.00 0.00 H ATOM 193 HB3 LEU A 91 86.030 67.851 34.368 1.00 0.00 H ATOM 194 HG LEU A 91 86.718 65.539 34.622 1.00 0.00 H ATOM 195 HD21 LEU A 91 89.000 67.396 33.854 1.00 0.00 H ATOM 196 HD22 LEU A 91 88.202 67.301 35.443 1.00 0.00 H ATOM 197 HD23 LEU A 91 89.152 65.921 34.840 1.00 0.00 H ATOM 198 HD11 LEU A 91 86.673 64.813 32.306 1.00 0.00 H ATOM 199 HD12 LEU A 91 88.061 65.861 31.927 1.00 0.00 H ATOM 200 HD13 LEU A 91 88.264 64.480 33.034 1.00 0.00 H ATOM 201 H LEU A 91 84.516 68.994 32.692 1.00 0.00 H ATOM 202 N ALA A 92 83.400 66.577 34.700 1.00 2.00 N ATOM 203 CA ALA A 92 82.518 65.848 35.613 1.00 2.00 C ATOM 204 C ALA A 92 81.455 64.984 34.894 1.00 2.00 C ATOM 205 O ALA A 92 81.068 63.927 35.379 1.00 2.00 O ATOM 206 CB ALA A 92 81.841 66.815 36.584 1.00 2.00 C ATOM 207 HA ALA A 92 83.156 65.155 36.161 1.00 0.00 H ATOM 208 HB1 ALA A 92 82.602 67.337 37.165 1.00 0.00 H ATOM 209 HB2 ALA A 92 81.251 67.539 36.022 1.00 0.00 H ATOM 210 HB3 ALA A 92 81.189 66.256 37.256 1.00 0.00 H ATOM 211 H ALA A 92 83.453 67.613 34.780 1.00 0.00 H ATOM 212 N SER A 93 81.022 65.434 33.729 1.00 2.00 N ATOM 213 CA SER A 93 80.013 64.751 32.944 1.00 2.00 C ATOM 214 C SER A 93 80.488 63.417 32.404 1.00 2.00 C ATOM 215 O SER A 93 79.648 62.595 32.047 1.00 2.00 O ATOM 216 CB SER A 93 79.552 65.633 31.776 1.00 2.00 C ATOM 217 OG SER A 93 80.451 65.598 30.689 1.00 2.00 O ATOM 218 HA SER A 93 79.180 64.556 33.620 1.00 0.00 H ATOM 219 HB2 SER A 93 79.466 66.662 32.126 1.00 0.00 H ATOM 220 HB3 SER A 93 78.577 65.283 31.436 1.00 0.00 H ATOM 221 HG SER A 93 81.338 65.921 30.986 1.00 0.00 H ATOM 222 H SER A 93 81.424 66.319 33.359 1.00 0.00 H ATOM 223 N PHE A 94 81.815 63.215 32.351 1.00 2.00 N ATOM 224 CA PHE A 94 82.426 61.965 31.834 1.00 2.00 C ATOM 225 C PHE A 94 82.594 60.847 32.877 1.00 2.00 C ATOM 226 O PHE A 94 83.330 59.896 32.647 1.00 2.00 O ATOM 227 CB PHE A 94 83.782 62.269 31.177 1.00 2.00 C ATOM 228 CG PHE A 94 83.662 63.023 29.898 1.00 2.00 C ATOM 229 CD1 PHE A 94 83.431 62.352 28.700 1.00 2.00 C ATOM 230 CD2 PHE A 94 83.736 64.388 29.887 1.00 2.00 C ATOM 231 CE1 PHE A 94 83.281 63.042 27.517 1.00 2.00 C ATOM 232 CE2 PHE A 94 83.583 65.095 28.725 1.00 2.00 C ATOM 233 CZ PHE A 94 83.360 64.421 27.513 1.00 2.00 C ATOM 234 HA PHE A 94 81.716 61.582 31.101 1.00 0.00 H ATOM 235 HB2 PHE A 94 84.379 62.859 31.872 1.00 0.00 H ATOM 236 HB3 PHE A 94 84.289 61.325 30.976 1.00 0.00 H ATOM 237 HD2 PHE A 94 83.920 64.922 30.819 1.00 0.00 H ATOM 238 HE2 PHE A 94 83.634 66.184 28.740 1.00 0.00 H ATOM 239 HZ PHE A 94 83.251 64.978 26.583 1.00 0.00 H ATOM 240 HE1 PHE A 94 83.101 62.502 26.588 1.00 0.00 H ATOM 241 HD1 PHE A 94 83.368 61.264 28.698 1.00 0.00 H ATOM 242 H PHE A 94 82.445 63.971 32.688 1.00 0.00 H ATOM 243 N TYR A 95 81.910 60.929 34.011 1.00 2.00 N ATOM 244 CA TYR A 95 82.147 59.945 35.070 1.00 2.00 C ATOM 245 C TYR A 95 81.922 58.505 34.628 1.00 2.00 C ATOM 246 O TYR A 95 82.553 57.603 35.161 1.00 2.00 O ATOM 247 CB TYR A 95 81.333 60.236 36.321 1.00 2.00 C ATOM 248 CG TYR A 95 79.836 60.088 36.193 1.00 2.00 C ATOM 249 CD1 TYR A 95 79.203 58.884 36.459 1.00 2.00 C ATOM 250 CD2 TYR A 95 79.058 61.171 35.859 1.00 2.00 C ATOM 251 CE1 TYR A 95 77.832 58.766 36.353 1.00 2.00 C ATOM 252 CE2 TYR A 95 77.698 61.072 35.759 1.00 2.00 C ATOM 253 CZ TYR A 95 77.090 59.878 36.004 1.00 2.00 C ATOM 254 OH TYR A 95 75.727 59.838 35.916 1.00 2.00 O ATOM 255 HA TYR A 95 83.206 60.048 35.309 1.00 0.00 H ATOM 256 HB3 TYR A 95 81.541 61.263 36.622 1.00 0.00 H ATOM 257 HB2 TYR A 95 81.669 59.554 37.102 1.00 0.00 H ATOM 258 HD2 TYR A 95 79.537 62.132 35.669 1.00 0.00 H ATOM 259 HE2 TYR A 95 77.104 61.944 35.485 1.00 0.00 H ATOM 260 HE1 TYR A 95 77.342 57.811 36.542 1.00 0.00 H ATOM 261 HD1 TYR A 95 79.796 58.019 36.756 1.00 0.00 H ATOM 262 HH TYR A 95 75.411 58.921 36.115 1.00 0.00 H ATOM 263 H TYR A 95 81.211 61.687 34.147 1.00 0.00 H ATOM 264 N ASP A 96 81.023 58.313 33.664 1.00 2.00 N ATOM 265 CA ASP A 96 80.734 56.997 33.100 1.00 2.00 C ATOM 266 C ASP A 96 81.040 56.982 31.571 1.00 2.00 C ATOM 267 O ASP A 96 80.362 56.322 30.789 1.00 2.00 O ATOM 268 CB ASP A 96 79.257 56.638 33.383 1.00 2.00 C ATOM 269 CG ASP A 96 79.009 55.125 33.463 1.00 2.00 C ATOM 270 OD1 ASP A 96 79.857 54.363 34.016 1.00 2.00 O ATOM 271 OD2 ASP A 96 77.922 54.679 32.990 1.00 2.00 O ATOM 272 HA ASP A 96 81.372 56.247 33.568 1.00 0.00 H ATOM 273 HB2 ASP A 96 78.966 57.088 34.332 1.00 0.00 H ATOM 274 HB3 ASP A 96 78.641 57.049 32.583 1.00 0.00 H ATOM 275 H ASP A 96 80.504 59.136 33.297 1.00 0.00 H ATOM 276 N TRP A 97 82.061 57.712 31.154 1.00 2.00 N ATOM 277 CA TRP A 97 82.584 57.607 29.781 1.00 2.00 C ATOM 278 C TRP A 97 83.095 56.175 29.482 1.00 2.00 C ATOM 279 O TRP A 97 83.894 55.642 30.248 1.00 2.00 O ATOM 280 CB TRP A 97 83.735 58.596 29.619 1.00 2.00 C ATOM 281 CG TRP A 97 84.371 58.668 28.242 1.00 2.00 C ATOM 282 CD1 TRP A 97 85.677 58.391 27.930 1.00 2.00 C ATOM 283 CD2 TRP A 97 83.755 59.079 27.027 1.00 2.00 C ATOM 284 NE1 TRP A 97 85.904 58.603 26.600 1.00 2.00 N ATOM 285 CE2 TRP A 97 84.745 59.019 26.015 1.00 2.00 C ATOM 286 CE3 TRP A 97 82.465 59.484 26.685 1.00 2.00 C ATOM 287 CZ2 TRP A 97 84.480 59.350 24.684 1.00 2.00 C ATOM 288 CZ3 TRP A 97 82.197 59.809 25.368 1.00 2.00 C ATOM 289 CH2 TRP A 97 83.198 59.741 24.379 1.00 2.00 C ATOM 290 HA TRP A 97 81.779 57.833 29.082 1.00 0.00 H ATOM 291 HB2 TRP A 97 83.357 59.589 29.863 1.00 0.00 H ATOM 292 HB3 TRP A 97 84.513 58.320 30.331 1.00 0.00 H ATOM 293 HE1 TRP A 97 86.813 58.469 26.113 1.00 0.00 H ATOM 294 HD1 TRP A 97 86.428 58.050 28.643 1.00 0.00 H ATOM 295 HZ2 TRP A 97 85.256 59.300 23.920 1.00 0.00 H ATOM 296 HH2 TRP A 97 82.951 60.004 23.350 1.00 0.00 H ATOM 297 HZ3 TRP A 97 81.191 60.124 25.089 1.00 0.00 H ATOM 298 HE3 TRP A 97 81.683 59.543 27.442 1.00 0.00 H ATOM 299 H TRP A 97 82.508 58.380 31.815 1.00 0.00 H ATOM 300 N PRO A 98 82.635 55.552 28.379 1.00 2.00 N ATOM 301 CA PRO A 98 83.074 54.174 28.108 1.00 2.00 C ATOM 302 C PRO A 98 84.489 54.004 27.562 1.00 2.00 C ATOM 303 O PRO A 98 84.964 52.873 27.506 1.00 2.00 O ATOM 304 CB PRO A 98 82.059 53.686 27.068 1.00 2.00 C ATOM 305 CG PRO A 98 81.614 54.947 26.365 1.00 2.00 C ATOM 306 CD PRO A 98 81.678 56.035 27.367 1.00 2.00 C ATOM 307 HA PRO A 98 83.111 53.617 29.044 1.00 0.00 H ATOM 308 HD3 PRO A 98 82.034 56.959 26.910 1.00 0.00 H ATOM 309 HD2 PRO A 98 80.698 56.206 27.814 1.00 0.00 H ATOM 310 HG3 PRO A 98 80.594 54.833 25.998 1.00 0.00 H ATOM 311 HG2 PRO A 98 82.278 55.166 25.529 1.00 0.00 H ATOM 312 HB2 PRO A 98 82.526 52.996 26.366 1.00 0.00 H ATOM 313 HB3 PRO A 98 81.215 53.194 27.552 1.00 0.00 H ATOM 314 N LEU A 99 85.146 55.087 27.159 1.00 2.00 N ATOM 315 CA LEU A 99 86.407 55.004 26.397 1.00 2.00 C ATOM 316 C LEU A 99 87.560 55.780 27.040 1.00 2.00 C ATOM 317 O LEU A 99 88.321 56.481 26.363 1.00 2.00 O ATOM 318 CB LEU A 99 86.178 55.531 24.981 1.00 2.00 C ATOM 319 CG LEU A 99 85.175 54.784 24.098 1.00 2.00 C ATOM 320 CD1 LEU A 99 84.908 55.573 22.830 1.00 2.00 C ATOM 321 CD2 LEU A 99 85.668 53.399 23.774 1.00 2.00 C ATOM 322 HA LEU A 99 86.698 53.954 26.386 1.00 0.00 H ATOM 323 HB2 LEU A 99 85.832 56.561 25.069 1.00 0.00 H ATOM 324 HB3 LEU A 99 87.139 55.515 24.468 1.00 0.00 H ATOM 325 HG LEU A 99 84.239 54.682 24.648 1.00 0.00 H ATOM 326 HD21 LEU A 99 86.618 53.468 23.244 1.00 0.00 H ATOM 327 HD22 LEU A 99 85.806 52.838 24.698 1.00 0.00 H ATOM 328 HD23 LEU A 99 84.936 52.892 23.146 1.00 0.00 H ATOM 329 HD11 LEU A 99 84.499 56.549 23.090 1.00 0.00 H ATOM 330 HD12 LEU A 99 85.841 55.703 22.281 1.00 0.00 H ATOM 331 HD13 LEU A 99 84.193 55.031 22.210 1.00 0.00 H ATOM 332 H LEU A 99 84.758 56.024 27.388 1.00 0.00 H ATOM 333 N THR A 100 87.681 55.652 28.353 1.00 2.00 N ATOM 334 CA THR A 100 88.634 56.455 29.142 1.00 2.00 C ATOM 335 C THR A 100 90.071 56.394 28.588 1.00 2.00 C ATOM 336 O THR A 100 90.707 57.425 28.410 1.00 2.00 O ATOM 337 CB THR A 100 88.554 56.031 30.623 1.00 2.00 C ATOM 338 OG1 THR A 100 87.286 56.473 31.136 1.00 2.00 O ATOM 339 CG2 THR A 100 89.676 56.644 31.460 1.00 2.00 C ATOM 340 HA THR A 100 88.348 57.504 29.062 1.00 0.00 H ATOM 341 HB THR A 100 88.660 54.948 30.684 1.00 0.00 H ATOM 342 HG1 THR A 100 86.556 56.051 30.617 1.00 0.00 H ATOM 343 HG23 THR A 100 90.639 56.311 31.074 1.00 0.00 H ATOM 344 HG21 THR A 100 89.617 57.731 31.404 1.00 0.00 H ATOM 345 HG22 THR A 100 89.569 56.326 32.497 1.00 0.00 H ATOM 346 H THR A 100 87.082 54.960 28.846 1.00 0.00 H ATOM 347 N ALA A 101 90.554 55.187 28.298 1.00 2.00 N ATOM 348 CA ALA A 101 91.918 54.992 27.749 1.00 2.00 C ATOM 349 C ALA A 101 92.048 55.442 26.302 1.00 2.00 C ATOM 350 O ALA A 101 93.042 56.047 25.924 1.00 2.00 O ATOM 351 CB ALA A 101 92.335 53.543 27.872 1.00 2.00 C ATOM 352 HA ALA A 101 92.581 55.622 28.342 1.00 0.00 H ATOM 353 HB1 ALA A 101 92.330 53.253 28.923 1.00 0.00 H ATOM 354 HB2 ALA A 101 91.636 52.917 27.318 1.00 0.00 H ATOM 355 HB3 ALA A 101 93.338 53.419 27.464 1.00 0.00 H ATOM 356 H ALA A 101 89.954 54.353 28.462 1.00 0.00 H ATOM 357 N GLU A 102 91.018 55.163 25.511 1.00 2.00 N ATOM 358 CA GLU A 102 91.045 55.356 24.074 1.00 2.00 C ATOM 359 C GLU A 102 90.963 56.825 23.695 1.00 2.00 C ATOM 360 O GLU A 102 91.684 57.258 22.811 1.00 2.00 O ATOM 361 CB GLU A 102 89.909 54.573 23.417 1.00 2.00 C ATOM 362 CG GLU A 102 90.039 53.058 23.553 1.00 2.00 C ATOM 363 CD GLU A 102 89.491 52.481 24.865 1.00 2.00 C ATOM 364 OE1 GLU A 102 89.471 51.239 24.959 1.00 2.00 O ATOM 365 OE2 GLU A 102 89.089 53.225 25.793 1.00 2.00 O ATOM 366 HA GLU A 102 92.001 54.980 23.709 1.00 0.00 H ATOM 367 HB2 GLU A 102 88.970 54.879 23.878 1.00 0.00 H ATOM 368 HB3 GLU A 102 89.890 54.822 22.356 1.00 0.00 H ATOM 369 HG2 GLU A 102 89.499 52.595 22.727 1.00 0.00 H ATOM 370 HG3 GLU A 102 91.096 52.800 23.484 1.00 0.00 H ATOM 371 H GLU A 102 90.150 54.788 25.943 1.00 0.00 H ATOM 372 N VAL A 103 90.083 57.578 24.363 1.00 2.00 N ATOM 373 CA VAL A 103 89.940 59.012 24.157 1.00 2.00 C ATOM 374 C VAL A 103 89.701 59.687 25.522 1.00 2.00 C ATOM 375 O VAL A 103 88.574 59.673 26.045 1.00 2.00 O ATOM 376 CB VAL A 103 88.762 59.349 23.200 1.00 2.00 C ATOM 377 CG1 VAL A 103 88.741 60.852 22.861 1.00 2.00 C ATOM 378 CG2 VAL A 103 88.815 58.518 21.941 1.00 2.00 C ATOM 379 HA VAL A 103 90.855 59.383 23.695 1.00 0.00 H ATOM 380 HB VAL A 103 87.837 59.102 23.721 1.00 0.00 H ATOM 381 HG11 VAL A 103 88.624 61.429 23.779 1.00 0.00 H ATOM 382 HG12 VAL A 103 89.677 61.127 22.375 1.00 0.00 H ATOM 383 HG13 VAL A 103 87.907 61.060 22.190 1.00 0.00 H ATOM 384 HG21 VAL A 103 89.751 58.713 21.418 1.00 0.00 H ATOM 385 HG22 VAL A 103 88.756 57.461 22.202 1.00 0.00 H ATOM 386 HG23 VAL A 103 87.976 58.782 21.297 1.00 0.00 H ATOM 387 H VAL A 103 89.470 57.116 25.065 1.00 0.00 H ATOM 388 N PRO A 104 90.764 60.244 26.131 1.00 2.00 N ATOM 389 CA PRO A 104 90.656 60.796 27.502 1.00 2.00 C ATOM 390 C PRO A 104 89.601 61.896 27.710 1.00 2.00 C ATOM 391 O PRO A 104 89.557 62.853 26.943 1.00 2.00 O ATOM 392 CB PRO A 104 92.042 61.361 27.768 1.00 2.00 C ATOM 393 CG PRO A 104 92.975 60.558 26.817 1.00 2.00 C ATOM 394 CD PRO A 104 92.144 60.283 25.610 1.00 2.00 C ATOM 395 HA PRO A 104 90.327 60.009 28.180 1.00 0.00 H ATOM 396 HD3 PRO A 104 92.258 61.076 24.871 1.00 0.00 H ATOM 397 HD2 PRO A 104 92.416 59.328 25.161 1.00 0.00 H ATOM 398 HG3 PRO A 104 93.292 59.626 27.286 1.00 0.00 H ATOM 399 HG2 PRO A 104 93.853 61.147 26.553 1.00 0.00 H ATOM 400 HB2 PRO A 104 92.076 62.425 27.535 1.00 0.00 H ATOM 401 HB3 PRO A 104 92.328 61.209 28.809 1.00 0.00 H ATOM 402 N PRO A 105 88.760 61.755 28.744 1.00 2.00 N ATOM 403 CA PRO A 105 87.845 62.842 29.120 1.00 2.00 C ATOM 404 C PRO A 105 88.536 64.191 29.369 1.00 2.00 C ATOM 405 O PRO A 105 87.952 65.226 29.058 1.00 2.00 O ATOM 406 CB PRO A 105 87.221 62.335 30.418 1.00 2.00 C ATOM 407 CG PRO A 105 87.307 60.805 30.315 1.00 2.00 C ATOM 408 CD PRO A 105 88.594 60.559 29.596 1.00 2.00 C ATOM 409 HA PRO A 105 87.139 63.048 28.315 1.00 0.00 H ATOM 410 HD3 PRO A 105 89.421 60.467 30.301 1.00 0.00 H ATOM 411 HD2 PRO A 105 88.533 59.656 28.989 1.00 0.00 H ATOM 412 HG3 PRO A 105 86.465 60.407 29.749 1.00 0.00 H ATOM 413 HG2 PRO A 105 87.324 60.351 31.306 1.00 0.00 H ATOM 414 HB2 PRO A 105 87.781 62.695 31.281 1.00 0.00 H ATOM 415 HB3 PRO A 105 86.183 62.658 30.499 1.00 0.00 H ATOM 416 N GLU A 106 89.757 64.179 29.916 1.00 2.00 N ATOM 417 CA GLU A 106 90.473 65.424 30.172 1.00 2.00 C ATOM 418 C GLU A 106 90.630 66.210 28.849 1.00 2.00 C ATOM 419 O GLU A 106 90.440 67.421 28.807 1.00 2.00 O ATOM 420 CB GLU A 106 91.858 65.160 30.819 1.00 2.00 C ATOM 421 CG GLU A 106 91.831 64.757 32.306 1.00 2.00 C ATOM 422 CD GLU A 106 91.504 63.265 32.555 1.00 2.00 C ATOM 423 OE1 GLU A 106 91.375 62.880 33.735 1.00 2.00 O ATOM 424 OE2 GLU A 106 91.377 62.480 31.602 1.00 2.00 O ATOM 425 HA GLU A 106 89.893 66.018 30.879 1.00 0.00 H ATOM 426 HB2 GLU A 106 92.341 64.357 30.262 1.00 0.00 H ATOM 427 HB3 GLU A 106 92.450 66.071 30.729 1.00 0.00 H ATOM 428 HG2 GLU A 106 92.810 64.969 32.735 1.00 0.00 H ATOM 429 HG3 GLU A 106 91.077 65.361 32.810 1.00 0.00 H ATOM 430 H GLU A 106 90.201 63.271 30.162 1.00 0.00 H ATOM 431 N LEU A 107 90.961 65.489 27.774 1.00 2.00 N ATOM 432 CA LEU A 107 91.144 66.077 26.460 1.00 2.00 C ATOM 433 C LEU A 107 89.822 66.501 25.828 1.00 2.00 C ATOM 434 O LEU A 107 89.743 67.559 25.207 1.00 2.00 O ATOM 435 CB LEU A 107 91.866 65.097 25.506 1.00 2.00 C ATOM 436 CG LEU A 107 93.335 64.764 25.797 1.00 2.00 C ATOM 437 CD1 LEU A 107 93.957 63.996 24.659 1.00 2.00 C ATOM 438 CD2 LEU A 107 94.124 66.022 26.018 1.00 2.00 C ATOM 439 HA LEU A 107 91.758 66.966 26.607 1.00 0.00 H ATOM 440 HB2 LEU A 107 91.311 64.159 25.522 1.00 0.00 H ATOM 441 HB3 LEU A 107 91.822 65.526 24.505 1.00 0.00 H ATOM 442 HG LEU A 107 93.357 64.149 26.697 1.00 0.00 H ATOM 443 HD21 LEU A 107 94.071 66.644 25.125 1.00 0.00 H ATOM 444 HD22 LEU A 107 93.708 66.566 26.866 1.00 0.00 H ATOM 445 HD23 LEU A 107 95.164 65.766 26.223 1.00 0.00 H ATOM 446 HD11 LEU A 107 93.412 63.064 24.511 1.00 0.00 H ATOM 447 HD12 LEU A 107 93.910 64.595 23.749 1.00 0.00 H ATOM 448 HD13 LEU A 107 94.998 63.776 24.897 1.00 0.00 H ATOM 449 H LEU A 107 91.093 64.463 27.884 1.00 0.00 H ATOM 450 N LEU A 108 88.796 65.668 25.975 1.00 2.00 N ATOM 451 CA LEU A 108 87.496 65.984 25.424 1.00 2.00 C ATOM 452 C LEU A 108 86.941 67.243 26.090 1.00 2.00 C ATOM 453 O LEU A 108 86.502 68.167 25.413 1.00 2.00 O ATOM 454 CB LEU A 108 86.534 64.813 25.578 1.00 2.00 C ATOM 455 CG LEU A 108 86.814 63.615 24.684 1.00 2.00 C ATOM 456 CD1 LEU A 108 86.416 62.300 25.379 1.00 2.00 C ATOM 457 CD2 LEU A 108 86.125 63.786 23.330 1.00 2.00 C ATOM 458 HA LEU A 108 87.608 66.174 24.357 1.00 0.00 H ATOM 459 HB2 LEU A 108 86.577 64.477 26.614 1.00 0.00 H ATOM 460 HB3 LEU A 108 85.529 65.172 25.355 1.00 0.00 H ATOM 461 HG LEU A 108 87.887 63.560 24.500 1.00 0.00 H ATOM 462 HD21 LEU A 108 85.049 63.873 23.480 1.00 0.00 H ATOM 463 HD22 LEU A 108 86.500 64.687 22.844 1.00 0.00 H ATOM 464 HD23 LEU A 108 86.337 62.919 22.704 1.00 0.00 H ATOM 465 HD11 LEU A 108 86.988 62.190 26.300 1.00 0.00 H ATOM 466 HD12 LEU A 108 85.351 62.321 25.611 1.00 0.00 H ATOM 467 HD13 LEU A 108 86.628 61.461 24.716 1.00 0.00 H ATOM 468 H LEU A 108 88.930 64.776 26.494 1.00 0.00 H ATOM 469 N ALA A 109 87.010 67.297 27.407 1.00 2.00 N ATOM 470 CA ALA A 109 86.496 68.456 28.142 1.00 2.00 C ATOM 471 C ALA A 109 87.325 69.715 27.822 1.00 2.00 C ATOM 472 O ALA A 109 86.766 70.803 27.626 1.00 2.00 O ATOM 473 CB ALA A 109 86.459 68.168 29.628 1.00 2.00 C ATOM 474 HA ALA A 109 85.473 68.650 27.820 1.00 0.00 H ATOM 475 HB1 ALA A 109 85.809 67.313 29.815 1.00 0.00 H ATOM 476 HB2 ALA A 109 87.466 67.944 29.979 1.00 0.00 H ATOM 477 HB3 ALA A 109 86.075 69.040 30.156 1.00 0.00 H ATOM 478 H ALA A 109 87.435 66.506 27.931 1.00 0.00 H ATOM 479 N ALA A 110 88.650 69.564 27.715 1.00 2.00 N ATOM 480 CA ALA A 110 89.505 70.693 27.323 1.00 2.00 C ATOM 481 C ALA A 110 89.053 71.262 25.992 1.00 2.00 C ATOM 482 O ALA A 110 89.012 72.470 25.807 1.00 2.00 O ATOM 483 CB ALA A 110 90.989 70.272 27.274 1.00 2.00 C ATOM 484 HA ALA A 110 89.409 71.474 28.077 1.00 0.00 H ATOM 485 HB1 ALA A 110 91.299 69.923 28.259 1.00 0.00 H ATOM 486 HB2 ALA A 110 91.114 69.469 26.547 1.00 0.00 H ATOM 487 HB3 ALA A 110 91.598 71.127 26.981 1.00 0.00 H ATOM 488 H ALA A 110 89.080 68.637 27.911 1.00 0.00 H ATOM 489 N ALA A 111 88.664 70.381 25.073 1.00 2.00 N ATOM 490 CA ALA A 111 88.262 70.773 23.730 1.00 2.00 C ATOM 491 C ALA A 111 86.797 71.231 23.615 1.00 2.00 C ATOM 492 O ALA A 111 86.267 71.342 22.482 1.00 2.00 O ATOM 493 CB ALA A 111 88.543 69.632 22.760 1.00 2.00 C ATOM 494 HA ALA A 111 88.859 71.648 23.473 1.00 0.00 H ATOM 495 HB1 ALA A 111 89.609 69.404 22.768 1.00 0.00 H ATOM 496 HB2 ALA A 111 87.979 68.750 23.065 1.00 0.00 H ATOM 497 HB3 ALA A 111 88.241 69.928 21.755 1.00 0.00 H ATOM 498 H ALA A 111 88.647 69.372 25.325 1.00 0.00 H ATOM 499 N GLY A 112 86.146 71.493 24.755 1.00 2.00 N ATOM 500 CA GLY A 112 84.788 72.043 24.781 1.00 2.00 C ATOM 501 C GLY A 112 83.633 71.056 24.864 1.00 2.00 C ATOM 502 O GLY A 112 82.455 71.476 24.942 1.00 2.00 O ATOM 503 HA3 GLY A 112 84.654 72.627 23.870 1.00 0.00 H ATOM 504 HA2 GLY A 112 84.718 72.701 25.647 1.00 0.00 H ATOM 505 H GLY A 112 86.623 71.298 25.658 1.00 0.00 H ATOM 506 N PHE A 113 83.964 69.758 24.863 1.00 2.00 N ATOM 507 CA PHE A 113 82.968 68.680 24.816 1.00 2.00 C ATOM 508 C PHE A 113 82.535 68.211 26.201 1.00 2.00 C ATOM 509 O PHE A 113 83.331 68.168 27.142 1.00 2.00 O ATOM 510 CB PHE A 113 83.490 67.479 24.022 1.00 2.00 C ATOM 511 CG PHE A 113 83.866 67.806 22.583 1.00 2.00 C ATOM 512 CD1 PHE A 113 82.896 68.155 21.658 1.00 2.00 C ATOM 513 CD2 PHE A 113 85.187 67.754 22.166 1.00 2.00 C ATOM 514 CE1 PHE A 113 83.229 68.453 20.334 1.00 2.00 C ATOM 515 CE2 PHE A 113 85.539 68.045 20.823 1.00 2.00 C ATOM 516 CZ PHE A 113 84.555 68.390 19.914 1.00 2.00 C ATOM 517 HA PHE A 113 82.097 69.104 24.316 1.00 0.00 H ATOM 518 HB2 PHE A 113 84.374 67.091 24.528 1.00 0.00 H ATOM 519 HB3 PHE A 113 82.715 66.713 24.009 1.00 0.00 H ATOM 520 HD2 PHE A 113 85.966 67.486 22.880 1.00 0.00 H ATOM 521 HE2 PHE A 113 86.581 67.997 20.508 1.00 0.00 H ATOM 522 HZ PHE A 113 84.815 68.610 18.879 1.00 0.00 H ATOM 523 HE1 PHE A 113 82.448 68.736 19.628 1.00 0.00 H ATOM 524 HD1 PHE A 113 81.852 68.198 21.969 1.00 0.00 H ATOM 525 H PHE A 113 84.971 69.502 24.897 1.00 0.00 H ATOM 526 N PHE A 114 81.258 67.871 26.311 1.00 2.00 N ATOM 527 CA PHE A 114 80.728 67.171 27.478 1.00 2.00 C ATOM 528 C PHE A 114 80.012 65.895 27.023 1.00 2.00 C ATOM 529 O PHE A 114 79.478 65.835 25.909 1.00 2.00 O ATOM 530 CB PHE A 114 79.757 68.065 28.239 1.00 2.00 C ATOM 531 CG PHE A 114 78.524 68.450 27.455 1.00 2.00 C ATOM 532 CD1 PHE A 114 77.400 67.635 27.446 1.00 2.00 C ATOM 533 CD2 PHE A 114 78.467 69.659 26.770 1.00 2.00 C ATOM 534 CE1 PHE A 114 76.251 68.009 26.747 1.00 2.00 C ATOM 535 CE2 PHE A 114 77.318 70.035 26.075 1.00 2.00 C ATOM 536 CZ PHE A 114 76.217 69.200 26.059 1.00 2.00 C ATOM 537 HA PHE A 114 81.553 66.911 28.141 1.00 0.00 H ATOM 538 HB2 PHE A 114 79.439 67.537 29.138 1.00 0.00 H ATOM 539 HB3 PHE A 114 80.282 68.978 28.521 1.00 0.00 H ATOM 540 HD2 PHE A 114 79.332 70.322 26.776 1.00 0.00 H ATOM 541 HE2 PHE A 114 77.288 70.987 25.545 1.00 0.00 H ATOM 542 HZ PHE A 114 75.324 69.484 25.503 1.00 0.00 H ATOM 543 HE1 PHE A 114 75.378 67.356 26.746 1.00 0.00 H ATOM 544 HD1 PHE A 114 77.415 66.691 27.991 1.00 0.00 H ATOM 545 H PHE A 114 80.608 68.112 25.536 1.00 0.00 H ATOM 546 N HIS A 115 79.986 64.898 27.893 1.00 2.00 N ATOM 547 CA HIS A 115 79.317 63.652 27.618 1.00 2.00 C ATOM 548 C HIS A 115 77.805 63.819 27.761 1.00 2.00 C ATOM 549 O HIS A 115 77.321 64.347 28.759 1.00 2.00 O ATOM 550 CB HIS A 115 79.803 62.548 28.578 1.00 2.00 C ATOM 551 CG HIS A 115 79.440 61.157 28.142 1.00 2.00 C ATOM 552 ND1 HIS A 115 79.405 60.089 29.012 1.00 2.00 N ATOM 553 CD2 HIS A 115 79.094 60.664 26.931 1.00 2.00 C ATOM 554 CE1 HIS A 115 79.063 58.994 28.353 1.00 2.00 C ATOM 555 NE2 HIS A 115 78.854 59.318 27.090 1.00 2.00 N ATOM 556 HA HIS A 115 79.554 63.361 26.595 1.00 0.00 H ATOM 557 HB2 HIS A 115 80.889 62.612 28.653 1.00 0.00 H ATOM 558 HB3 HIS A 115 79.361 62.727 29.558 1.00 0.00 H ATOM 559 HD2 HIS A 115 79.019 61.228 26.001 1.00 0.00 H ATOM 560 HE1 HIS A 115 78.970 57.995 28.780 1.00 0.00 H ATOM 561 H HIS A 115 80.466 65.018 28.808 1.00 0.00 H ATOM 562 N THR A 116 77.073 63.351 26.761 1.00 2.00 N ATOM 563 CA THR A 116 75.615 63.331 26.812 1.00 2.00 C ATOM 564 C THR A 116 75.058 62.276 27.755 1.00 2.00 C ATOM 565 O THR A 116 73.919 62.412 28.214 1.00 2.00 O ATOM 566 CB THR A 116 74.992 63.027 25.449 1.00 2.00 C ATOM 567 OG1 THR A 116 75.300 61.676 25.076 1.00 2.00 O ATOM 568 CG2 THR A 116 75.492 64.000 24.390 1.00 2.00 C ATOM 569 HA THR A 116 75.358 64.331 27.161 1.00 0.00 H ATOM 570 HB THR A 116 73.911 63.145 25.522 1.00 0.00 H ATOM 571 HG1 THR A 116 76.282 61.565 25.024 1.00 0.00 H ATOM 572 HG23 THR A 116 75.249 65.019 24.691 1.00 0.00 H ATOM 573 HG21 THR A 116 76.572 63.898 24.286 1.00 0.00 H ATOM 574 HG22 THR A 116 75.011 63.777 23.437 1.00 0.00 H ATOM 575 H THR A 116 77.553 62.986 25.913 1.00 0.00 H ATOM 576 N GLY A 117 75.843 61.226 28.012 1.00 2.00 N ATOM 577 CA GLY A 117 75.442 60.087 28.842 1.00 2.00 C ATOM 578 C GLY A 117 75.085 58.875 28.010 1.00 2.00 C ATOM 579 O GLY A 117 74.996 57.749 28.526 1.00 2.00 O ATOM 580 HA3 GLY A 117 74.575 60.373 29.437 1.00 0.00 H ATOM 581 HA2 GLY A 117 76.267 59.828 29.506 1.00 0.00 H ATOM 582 H GLY A 117 76.797 61.216 27.598 1.00 0.00 H ATOM 583 N HIS A 118 74.872 59.092 26.716 1.00 2.00 N ATOM 584 CA HIS A 118 74.461 58.024 25.802 1.00 2.00 C ATOM 585 C HIS A 118 75.646 57.538 24.958 1.00 2.00 C ATOM 586 O HIS A 118 76.291 58.333 24.290 1.00 2.00 O ATOM 587 CB HIS A 118 73.340 58.544 24.888 1.00 2.00 C ATOM 588 CG HIS A 118 71.991 58.591 25.544 1.00 2.00 C ATOM 589 ND1 HIS A 118 71.104 59.633 25.352 1.00 2.00 N ATOM 590 CD2 HIS A 118 71.375 57.721 26.383 1.00 2.00 C ATOM 591 CE1 HIS A 118 69.993 59.395 26.037 1.00 2.00 C ATOM 592 NE2 HIS A 118 70.135 58.245 26.676 1.00 2.00 N ATOM 593 HA HIS A 118 74.097 57.180 26.388 1.00 0.00 H ATOM 594 HB2 HIS A 118 73.600 59.552 24.565 1.00 0.00 H ATOM 595 HB3 HIS A 118 73.276 57.891 24.018 1.00 0.00 H ATOM 596 HD2 HIS A 118 71.785 56.782 26.756 1.00 0.00 H ATOM 597 HE1 HIS A 118 69.113 60.037 26.068 1.00 0.00 H ATOM 598 H HIS A 118 75.002 60.053 26.340 1.00 0.00 H ATOM 599 N GLN A 119 75.930 56.237 24.992 1.00 2.00 N ATOM 600 CA GLN A 119 77.054 55.672 24.238 1.00 2.00 C ATOM 601 C GLN A 119 78.288 56.588 24.395 1.00 2.00 C ATOM 602 O GLN A 119 78.587 57.020 25.514 1.00 2.00 O ATOM 603 CB GLN A 119 76.663 55.439 22.768 1.00 2.00 C ATOM 604 CG GLN A 119 75.655 54.279 22.550 1.00 2.00 C ATOM 605 CD GLN A 119 74.209 54.681 22.810 1.00 2.00 C ATOM 606 OE1 GLN A 119 73.885 55.876 22.906 1.00 8.82 O ATOM 607 NE2 GLN A 119 73.325 53.690 22.924 1.00 2.00 N ATOM 608 HA GLN A 119 77.316 54.693 24.640 1.00 0.00 H ATOM 609 HB2 GLN A 119 76.216 56.356 22.384 1.00 0.00 H ATOM 610 HB3 GLN A 119 77.569 55.214 22.205 1.00 0.00 H ATOM 611 HG2 GLN A 119 75.739 53.936 21.519 1.00 0.00 H ATOM 612 HG3 GLN A 119 75.914 53.463 23.225 1.00 0.00 H ATOM 613 HE22 GLN A 119 73.637 52.702 22.837 1.00 0.00 H ATOM 614 HE21 GLN A 119 72.323 53.905 23.100 1.00 0.00 H ATOM 615 H GLN A 119 75.339 55.605 25.569 1.00 0.00 H ATOM 616 N ASP A 120 78.987 56.882 23.299 1.00 2.00 N ATOM 617 CA ASP A 120 80.139 57.789 23.309 1.00 2.00 C ATOM 618 C ASP A 120 79.821 59.132 22.647 1.00 2.00 C ATOM 619 O ASP A 120 80.722 59.802 22.121 1.00 2.00 O ATOM 620 CB ASP A 120 81.343 57.136 22.611 1.00 2.00 C ATOM 621 CG ASP A 120 81.121 56.895 21.120 1.00 2.00 C ATOM 622 OD1 ASP A 120 79.974 57.025 20.644 1.00 2.00 O ATOM 623 OD2 ASP A 120 82.090 56.555 20.421 1.00 2.00 O ATOM 624 HA ASP A 120 80.385 57.983 24.353 1.00 0.00 H ATOM 625 HB2 ASP A 120 82.208 57.788 22.731 1.00 0.00 H ATOM 626 HB3 ASP A 120 81.543 56.178 23.090 1.00 0.00 H ATOM 627 H ASP A 120 78.703 56.449 22.397 1.00 0.00 H ATOM 628 N LYS A 121 78.548 59.524 22.671 1.00 2.00 N ATOM 629 CA LYS A 121 78.126 60.793 22.068 1.00 2.00 C ATOM 630 C LYS A 121 78.532 61.960 22.957 1.00 2.00 C ATOM 631 O LYS A 121 78.228 61.979 24.146 1.00 2.00 O ATOM 632 CB LYS A 121 76.627 60.835 21.847 1.00 2.00 C ATOM 633 CG LYS A 121 76.096 59.827 20.864 1.00 2.00 C ATOM 634 CD LYS A 121 74.569 59.873 20.870 1.00 2.00 C ATOM 635 CE LYS A 121 73.955 58.922 19.874 1.00 2.00 C ATOM 636 NZ LYS A 121 74.495 57.532 20.031 1.00 2.00 N ATOM 637 HA LYS A 121 78.621 60.874 21.100 1.00 0.00 H ATOM 638 HB2 LYS A 121 76.139 60.660 22.806 1.00 0.00 H ATOM 639 HB3 LYS A 121 76.367 61.829 21.484 1.00 0.00 H ATOM 640 HG2 LYS A 121 76.464 60.063 19.865 1.00 0.00 H ATOM 641 HG3 LYS A 121 76.432 58.829 21.147 1.00 0.00 H ATOM 642 HD2 LYS A 121 74.216 59.610 21.867 1.00 0.00 H ATOM 643 HD3 LYS A 121 74.249 60.887 20.628 1.00 0.00 H ATOM 644 HE2 LYS A 121 74.174 59.275 18.866 1.00 0.00 H ATOM 645 HE3 LYS A 121 72.876 58.901 20.024 1.00 0.00 H ATOM 646 HZ1 LYS A 121 75.524 57.543 19.884 1.00 0.00 H ATOM 647 HZ2 LYS A 121 74.284 57.186 20.989 1.00 0.00 H ATOM 648 HZ3 LYS A 121 74.049 56.907 19.329 1.00 0.00 H ATOM 649 H LYS A 121 77.838 58.917 23.127 1.00 0.00 H ATOM 650 N VAL A 122 79.252 62.918 22.371 1.00 2.00 N ATOM 651 CA VAL A 122 79.610 64.145 23.052 1.00 2.00 C ATOM 652 C VAL A 122 79.126 65.345 22.261 1.00 2.00 C ATOM 653 O VAL A 122 78.801 65.252 21.090 1.00 2.00 O ATOM 654 CB VAL A 122 81.127 64.268 23.303 1.00 2.00 C ATOM 655 CG1 VAL A 122 81.648 63.016 23.995 1.00 2.00 C ATOM 656 CG2 VAL A 122 81.893 64.552 22.011 1.00 2.00 C ATOM 657 HA VAL A 122 79.120 64.117 24.025 1.00 0.00 H ATOM 658 HB VAL A 122 81.294 65.120 23.962 1.00 0.00 H ATOM 659 HG11 VAL A 122 81.137 62.890 24.949 1.00 0.00 H ATOM 660 HG12 VAL A 122 81.459 62.148 23.363 1.00 0.00 H ATOM 661 HG13 VAL A 122 82.720 63.116 24.166 1.00 0.00 H ATOM 662 HG21 VAL A 122 81.726 63.738 21.305 1.00 0.00 H ATOM 663 HG22 VAL A 122 81.539 65.488 21.579 1.00 0.00 H ATOM 664 HG23 VAL A 122 82.958 64.631 22.231 1.00 0.00 H ATOM 665 H VAL A 122 79.568 62.779 21.390 1.00 0.00 H ATOM 666 N ARG A 123 79.103 66.485 22.935 1.00 2.00 N ATOM 667 CA ARG A 123 78.684 67.713 22.326 1.00 2.00 C ATOM 668 C ARG A 123 79.507 68.896 22.843 1.00 2.00 C ATOM 669 O ARG A 123 79.845 68.953 24.014 1.00 2.00 O ATOM 670 CB ARG A 123 77.212 67.911 22.605 1.00 2.00 C ATOM 671 CG ARG A 123 76.570 68.850 21.667 1.00 2.00 C ATOM 672 CD ARG A 123 75.168 69.173 22.089 1.00 2.00 C ATOM 673 NE ARG A 123 74.245 68.032 22.071 1.00 2.00 N ATOM 674 CZ ARG A 123 73.610 67.587 20.990 1.00 2.00 C ATOM 675 NH1 ARG A 123 73.829 68.132 19.794 1.00 2.00 N ATOM 676 NH2 ARG A 123 72.748 66.577 21.108 1.00 2.00 N ATOM 677 HA ARG A 123 78.848 67.660 21.250 1.00 0.00 H ATOM 678 HB2 ARG A 123 76.711 66.946 22.529 1.00 0.00 H ATOM 679 HB3 ARG A 123 77.099 68.299 23.617 1.00 0.00 H ATOM 680 HG2 ARG A 123 77.152 69.771 21.633 1.00 0.00 H ATOM 681 HG3 ARG A 123 76.547 68.400 20.675 1.00 0.00 H ATOM 682 HD2 ARG A 123 74.778 69.937 21.416 1.00 0.00 H ATOM 683 HD3 ARG A 123 75.201 69.568 23.104 1.00 0.00 H ATOM 684 HE ARG A 123 74.075 67.535 22.969 1.00 0.00 H ATOM 685 HH12 ARG A 123 73.325 67.773 18.959 1.00 0.00 H ATOM 686 HH11 ARG A 123 74.504 68.917 19.696 1.00 0.00 H ATOM 687 HH22 ARG A 123 72.246 66.221 20.270 1.00 0.00 H ATOM 688 HH21 ARG A 123 72.577 66.145 22.038 1.00 0.00 H ATOM 689 H ARG A 123 79.397 66.489 23.933 1.00 0.00 H ATOM 690 N CYS A 124 79.840 69.818 21.936 1.00 2.00 N ATOM 691 CA CYS A 124 80.479 71.070 22.307 1.00 2.00 C ATOM 692 C CYS A 124 79.468 72.053 22.905 1.00 2.00 C ATOM 693 O CYS A 124 78.427 72.314 22.304 1.00 2.00 O ATOM 694 CB CYS A 124 81.122 71.720 21.089 1.00 2.00 C ATOM 695 SG CYS A 124 81.810 73.401 21.357 1.00 2.00 S ATOM 696 HA CYS A 124 81.239 70.837 23.053 1.00 0.00 H ATOM 697 HB2 CYS A 124 80.366 71.788 20.306 1.00 0.00 H ATOM 698 HB3 CYS A 124 81.934 71.075 20.754 1.00 0.00 H ATOM 699 HG CYS A 124 82.357 73.866 20.178 1.00 0.00 H ATOM 700 H CYS A 124 79.636 69.635 20.933 1.00 0.00 H ATOM 701 N PHE A 125 79.817 72.626 24.062 1.00 2.00 N ATOM 702 CA PHE A 125 78.954 73.600 24.746 1.00 2.00 C ATOM 703 C PHE A 125 78.727 74.870 23.921 1.00 2.00 C ATOM 704 O PHE A 125 77.705 75.516 24.078 1.00 2.00 O ATOM 705 CB PHE A 125 79.544 74.000 26.096 1.00 2.00 C ATOM 706 CG PHE A 125 80.575 75.111 25.994 1.00 2.00 C ATOM 707 CD1 PHE A 125 81.890 74.824 25.662 1.00 2.00 C ATOM 708 CD2 PHE A 125 80.214 76.439 26.208 1.00 2.00 C ATOM 709 CE1 PHE A 125 82.828 75.825 25.553 1.00 2.00 C ATOM 710 CE2 PHE A 125 81.164 77.463 26.083 1.00 2.00 C ATOM 711 CZ PHE A 125 82.465 77.159 25.767 1.00 2.00 C ATOM 712 HA PHE A 125 77.995 73.102 24.885 1.00 0.00 H ATOM 713 HB2 PHE A 125 78.734 74.338 26.742 1.00 0.00 H ATOM 714 HB3 PHE A 125 80.020 73.125 26.539 1.00 0.00 H ATOM 715 HD2 PHE A 125 79.186 76.684 26.475 1.00 0.00 H ATOM 716 HE2 PHE A 125 80.869 78.501 26.237 1.00 0.00 H ATOM 717 HZ PHE A 125 83.209 77.951 25.683 1.00 0.00 H ATOM 718 HE1 PHE A 125 83.859 75.577 25.299 1.00 0.00 H ATOM 719 HD1 PHE A 125 82.185 73.790 25.485 1.00 0.00 H ATOM 720 H PHE A 125 80.730 72.374 24.492 1.00 0.00 H ATOM 721 N PHE A 126 79.684 75.233 23.064 1.00 2.00 N ATOM 722 CA PHE A 126 79.609 76.489 22.348 1.00 2.00 C ATOM 723 C PHE A 126 78.852 76.366 21.029 1.00 2.00 C ATOM 724 O PHE A 126 77.915 77.119 20.806 1.00 2.00 O ATOM 725 CB PHE A 126 80.988 77.122 22.120 1.00 2.00 C ATOM 726 CG PHE A 126 80.915 78.599 21.847 1.00 2.00 C ATOM 727 CD1 PHE A 126 80.530 79.064 20.598 1.00 2.00 C ATOM 728 CD2 PHE A 126 81.158 79.524 22.857 1.00 2.00 C ATOM 729 CE1 PHE A 126 80.418 80.430 20.351 1.00 2.00 C ATOM 730 CE2 PHE A 126 81.066 80.889 22.612 1.00 2.00 C ATOM 731 CZ PHE A 126 80.685 81.343 21.359 1.00 2.00 C ATOM 732 HA PHE A 126 79.042 77.158 22.995 1.00 0.00 H ATOM 733 HB2 PHE A 126 81.596 76.962 23.010 1.00 0.00 H ATOM 734 HB3 PHE A 126 81.459 76.633 21.267 1.00 0.00 H ATOM 735 HD2 PHE A 126 81.424 79.174 23.854 1.00 0.00 H ATOM 736 HE2 PHE A 126 81.293 81.602 23.405 1.00 0.00 H ATOM 737 HZ PHE A 126 80.596 82.412 21.167 1.00 0.00 H ATOM 738 HE1 PHE A 126 80.120 80.782 19.363 1.00 0.00 H ATOM 739 HD1 PHE A 126 80.313 78.353 19.801 1.00 0.00 H ATOM 740 H PHE A 126 80.497 74.603 22.908 1.00 0.00 H ATOM 741 N CYS A 127 79.276 75.459 20.149 1.00 2.00 N ATOM 742 CA CYS A 127 78.622 75.306 18.845 1.00 2.00 C ATOM 743 C CYS A 127 77.513 74.274 18.841 1.00 2.00 C ATOM 744 O CYS A 127 76.789 74.186 17.876 1.00 2.00 O ATOM 745 CB CYS A 127 79.644 74.966 17.750 1.00 2.00 C ATOM 746 SG CYS A 127 80.519 73.375 17.904 1.00 2.00 S ATOM 747 HA CYS A 127 78.163 76.272 18.635 1.00 0.00 H ATOM 748 HB2 CYS A 127 80.395 75.756 17.744 1.00 0.00 H ATOM 749 HB3 CYS A 127 79.116 74.961 16.796 1.00 0.00 H ATOM 750 HG CYS A 127 81.223 73.352 19.091 1.00 0.00 H ATOM 751 H CYS A 127 80.084 74.850 20.391 1.00 0.00 H ATOM 752 N TYR A 128 77.394 73.510 19.928 1.00 2.00 N ATOM 753 CA TYR A 128 76.433 72.401 20.102 1.00 2.00 C ATOM 754 C TYR A 128 76.703 71.224 19.164 1.00 2.00 C ATOM 755 O TYR A 128 75.859 70.328 19.020 1.00 2.00 O ATOM 756 CB TYR A 128 74.971 72.880 19.975 1.00 2.00 C ATOM 757 CG TYR A 128 74.011 72.231 20.969 1.00 2.00 C ATOM 758 CD1 TYR A 128 74.193 72.400 22.349 1.00 2.00 C ATOM 759 CD2 TYR A 128 72.932 71.454 20.540 1.00 2.00 C ATOM 760 CE1 TYR A 128 73.313 71.818 23.285 1.00 2.00 C ATOM 761 CE2 TYR A 128 72.051 70.872 21.459 1.00 2.00 C ATOM 762 CZ TYR A 128 72.247 71.054 22.837 1.00 2.00 C ATOM 763 OH TYR A 128 71.374 70.502 23.771 1.00 2.00 O ATOM 764 HA TYR A 128 76.583 72.037 21.119 1.00 0.00 H ATOM 765 HB3 TYR A 128 74.624 72.655 18.967 1.00 0.00 H ATOM 766 HB2 TYR A 128 74.949 73.958 20.133 1.00 0.00 H ATOM 767 HD2 TYR A 128 72.774 71.299 19.473 1.00 0.00 H ATOM 768 HE2 TYR A 128 71.211 70.276 21.104 1.00 0.00 H ATOM 769 HE1 TYR A 128 73.470 71.968 24.353 1.00 0.00 H ATOM 770 HD1 TYR A 128 75.034 72.995 22.707 1.00 0.00 H ATOM 771 HH TYR A 128 71.676 70.738 24.684 1.00 0.00 H ATOM 772 H TYR A 128 78.034 73.713 20.723 1.00 0.00 H ATOM 773 N GLY A 129 77.878 71.215 18.538 1.00 2.00 N ATOM 774 CA GLY A 129 78.208 70.170 17.566 1.00 2.00 C ATOM 775 C GLY A 129 78.337 68.835 18.277 1.00 2.00 C ATOM 776 O GLY A 129 78.872 68.762 19.387 1.00 2.00 O ATOM 777 HA3 GLY A 129 79.151 70.414 17.077 1.00 0.00 H ATOM 778 HA2 GLY A 129 77.418 70.108 16.818 1.00 0.00 H ATOM 779 H GLY A 129 78.572 71.962 18.742 1.00 0.00 H ATOM 780 N GLY A 130 77.809 67.792 17.659 1.00 2.00 N ATOM 781 CA GLY A 130 77.773 66.463 18.262 1.00 2.00 C ATOM 782 C GLY A 130 78.692 65.489 17.540 1.00 2.00 C ATOM 783 O GLY A 130 78.635 65.390 16.324 1.00 2.00 O ATOM 784 HA3 GLY A 130 76.752 66.083 18.219 1.00 0.00 H ATOM 785 HA2 GLY A 130 78.087 66.539 19.303 1.00 0.00 H ATOM 786 H GLY A 130 77.405 67.923 16.710 1.00 0.00 H ATOM 787 N LEU A 131 79.542 64.794 18.300 1.00 2.00 N ATOM 788 CA LEU A 131 80.445 63.766 17.768 1.00 2.00 C ATOM 789 C LEU A 131 80.291 62.440 18.525 1.00 2.00 C ATOM 790 O LEU A 131 80.205 62.410 19.767 1.00 2.00 O ATOM 791 CB LEU A 131 81.899 64.218 17.851 1.00 2.00 C ATOM 792 CG LEU A 131 82.325 65.382 16.961 1.00 2.00 C ATOM 793 CD1 LEU A 131 83.755 65.758 17.265 1.00 2.00 C ATOM 794 CD2 LEU A 131 82.161 65.082 15.461 1.00 2.00 C ATOM 795 HA LEU A 131 80.172 63.614 16.724 1.00 0.00 H ATOM 796 HB2 LEU A 131 82.093 64.508 18.884 1.00 0.00 H ATOM 797 HB3 LEU A 131 82.523 63.363 17.592 1.00 0.00 H ATOM 798 HG LEU A 131 81.663 66.218 17.186 1.00 0.00 H ATOM 799 HD21 LEU A 131 82.773 64.220 15.195 1.00 0.00 H ATOM 800 HD22 LEU A 131 81.114 64.866 15.247 1.00 0.00 H ATOM 801 HD23 LEU A 131 82.481 65.948 14.881 1.00 0.00 H ATOM 802 HD11 LEU A 131 83.837 66.053 18.311 1.00 0.00 H ATOM 803 HD12 LEU A 131 84.403 64.902 17.076 1.00 0.00 H ATOM 804 HD13 LEU A 131 84.054 66.590 16.627 1.00 0.00 H ATOM 805 H LEU A 131 79.566 64.991 19.321 1.00 0.00 H ATOM 806 N GLN A 132 80.251 61.355 17.746 1.00 2.00 N ATOM 807 CA GLN A 132 80.096 59.999 18.253 1.00 2.00 C ATOM 808 C GLN A 132 81.072 59.122 17.477 1.00 2.00 C ATOM 809 O GLN A 132 81.836 59.626 16.656 1.00 2.00 O ATOM 810 CB GLN A 132 78.645 59.518 18.043 1.00 2.00 C ATOM 811 CG GLN A 132 78.275 59.234 16.573 1.00 2.00 C ATOM 812 CD GLN A 132 76.759 59.115 16.323 1.00 2.00 C ATOM 813 OE1 GLN A 132 75.990 58.786 17.235 1.00 2.00 O ATOM 814 NE2 GLN A 132 76.331 59.379 15.078 1.00 2.00 N ATOM 815 HA GLN A 132 80.304 59.951 19.322 1.00 0.00 H ATOM 816 HB2 GLN A 132 78.504 58.600 18.614 1.00 0.00 H ATOM 817 HB3 GLN A 132 77.972 60.287 18.422 1.00 0.00 H ATOM 818 HG2 GLN A 132 78.662 60.047 15.958 1.00 0.00 H ATOM 819 HG3 GLN A 132 78.747 58.298 16.275 1.00 0.00 H ATOM 820 HE22 GLN A 132 77.012 59.652 14.341 1.00 0.00 H ATOM 821 HE21 GLN A 132 75.318 59.310 14.851 1.00 0.00 H ATOM 822 H GLN A 132 80.335 61.487 16.718 1.00 0.00 H ATOM 823 N SER A 133 81.024 57.819 17.719 1.00 2.00 N ATOM 824 CA SER A 133 81.847 56.843 16.989 1.00 2.00 C ATOM 825 C SER A 133 83.329 57.199 17.048 1.00 2.00 C ATOM 826 O SER A 133 84.015 57.267 16.052 1.00 2.00 O ATOM 827 CB SER A 133 81.347 56.707 15.553 1.00 2.00 C ATOM 828 OG SER A 133 79.966 56.346 15.555 1.00 2.00 O ATOM 829 HA SER A 133 81.746 55.873 17.476 1.00 0.00 H ATOM 830 HB2 SER A 133 81.922 55.936 15.040 1.00 0.00 H ATOM 831 HB3 SER A 133 81.472 57.657 15.034 1.00 0.00 H ATOM 832 HG SER A 133 79.647 56.259 14.622 1.00 0.00 H ATOM 833 H SER A 133 80.377 57.473 18.456 1.00 0.00 H ATOM 834 N TRP A 134 83.800 57.439 18.255 1.00 2.00 N ATOM 835 CA TRP A 134 85.182 57.769 18.497 1.00 2.00 C ATOM 836 C TRP A 134 86.061 56.537 18.342 1.00 2.00 C ATOM 837 O TRP A 134 85.697 55.440 18.803 1.00 2.00 O ATOM 838 CB TRP A 134 85.323 58.318 19.908 1.00 2.00 C ATOM 839 CG TRP A 134 84.676 59.656 20.061 1.00 2.00 C ATOM 840 CD1 TRP A 134 83.382 59.895 20.345 1.00 2.00 C ATOM 841 CD2 TRP A 134 85.309 60.933 19.937 1.00 2.00 C ATOM 842 NE1 TRP A 134 83.155 61.253 20.413 1.00 2.00 N ATOM 843 CE2 TRP A 134 84.323 61.911 20.153 1.00 2.00 C ATOM 844 CE3 TRP A 134 86.608 61.344 19.657 1.00 2.00 C ATOM 845 CZ2 TRP A 134 84.604 63.286 20.100 1.00 2.00 C ATOM 846 CZ3 TRP A 134 86.888 62.690 19.593 1.00 2.00 C ATOM 847 CH2 TRP A 134 85.897 63.648 19.817 1.00 2.00 C ATOM 848 HA TRP A 134 85.500 58.517 17.771 1.00 0.00 H ATOM 849 HB2 TRP A 134 84.857 57.621 20.604 1.00 0.00 H ATOM 850 HB3 TRP A 134 86.383 58.411 20.144 1.00 0.00 H ATOM 851 HE1 TRP A 134 82.242 61.703 20.627 1.00 0.00 H ATOM 852 HD1 TRP A 134 82.624 59.127 20.499 1.00 0.00 H ATOM 853 HZ2 TRP A 134 83.829 64.032 20.276 1.00 0.00 H ATOM 854 HH2 TRP A 134 86.156 64.706 19.766 1.00 0.00 H ATOM 855 HZ3 TRP A 134 87.903 63.014 19.363 1.00 0.00 H ATOM 856 HE3 TRP A 134 87.395 60.609 19.490 1.00 0.00 H ATOM 857 H TRP A 134 83.149 57.388 19.065 1.00 0.00 H ATOM 858 N LYS A 135 87.200 56.718 17.678 1.00 2.00 N ATOM 859 CA LYS A 135 88.212 55.677 17.543 1.00 2.00 C ATOM 860 C LYS A 135 89.365 55.949 18.504 1.00 2.00 C ATOM 861 O LYS A 135 89.597 57.085 18.921 1.00 2.00 O ATOM 862 CB LYS A 135 88.718 55.605 16.105 1.00 2.00 C ATOM 863 CG LYS A 135 87.591 55.438 15.060 1.00 2.00 C ATOM 864 CD LYS A 135 86.850 54.059 15.163 1.00 3.17 C ATOM 865 CE LYS A 135 85.325 54.186 14.849 1.00 3.09 C ATOM 866 NZ LYS A 135 84.492 52.980 15.208 1.00 2.00 N ATOM 867 HA LYS A 135 87.764 54.715 17.793 1.00 0.00 H ATOM 868 HB2 LYS A 135 89.260 56.524 15.884 1.00 0.00 H ATOM 869 HB3 LYS A 135 89.396 54.756 16.020 1.00 0.00 H ATOM 870 HG2 LYS A 135 86.862 56.235 15.206 1.00 0.00 H ATOM 871 HG3 LYS A 135 88.026 55.524 14.064 1.00 0.00 H ATOM 872 HD2 LYS A 135 87.299 53.365 14.453 1.00 0.00 H ATOM 873 HD3 LYS A 135 86.970 53.670 16.174 1.00 0.00 H ATOM 874 HE2 LYS A 135 85.215 54.366 13.780 1.00 0.00 H ATOM 875 HE3 LYS A 135 84.937 55.041 15.402 1.00 0.00 H ATOM 876 HZ1 LYS A 135 84.836 52.153 14.679 1.00 0.00 H ATOM 877 HZ2 LYS A 135 84.570 52.798 16.229 1.00 0.00 H ATOM 878 HZ3 LYS A 135 83.498 53.161 14.962 1.00 0.00 H ATOM 879 H LYS A 135 87.376 57.643 17.236 1.00 0.00 H ATOM 880 N ARG A 136 90.081 54.893 18.859 1.00 2.00 N ATOM 881 CA ARG A 136 91.174 55.017 19.797 1.00 2.00 C ATOM 882 C ARG A 136 92.231 55.945 19.216 1.00 2.00 C ATOM 883 O ARG A 136 92.644 55.793 18.068 1.00 2.00 O ATOM 884 CB ARG A 136 91.752 53.643 20.172 1.00 2.00 C ATOM 885 CG ARG A 136 92.443 52.935 19.058 1.00 2.00 C ATOM 886 CD ARG A 136 92.980 51.556 19.463 1.00 2.00 C ATOM 887 NE ARG A 136 94.111 51.213 18.592 1.00 2.00 N ATOM 888 CZ ARG A 136 94.882 50.133 18.720 1.00 2.00 C ATOM 889 NH1 ARG A 136 94.659 49.242 19.683 1.00 2.00 N ATOM 890 NH2 ARG A 136 95.885 49.942 17.864 1.00 2.00 N ATOM 891 HA ARG A 136 90.803 55.453 20.725 1.00 0.00 H ATOM 892 HB2 ARG A 136 92.468 53.785 20.981 1.00 0.00 H ATOM 893 HB3 ARG A 136 90.933 53.013 20.519 1.00 0.00 H ATOM 894 HG2 ARG A 136 91.737 52.806 18.238 1.00 0.00 H ATOM 895 HG3 ARG A 136 93.279 53.548 18.722 1.00 0.00 H ATOM 896 HD2 ARG A 136 92.193 50.810 19.353 1.00 0.00 H ATOM 897 HD3 ARG A 136 93.312 51.582 20.501 1.00 0.00 H ATOM 898 HE ARG A 136 94.328 51.865 17.812 1.00 0.00 H ATOM 899 HH12 ARG A 136 95.270 48.405 19.769 1.00 0.00 H ATOM 900 HH11 ARG A 136 93.874 49.383 20.350 1.00 0.00 H ATOM 901 HH22 ARG A 136 96.493 49.103 17.954 1.00 0.00 H ATOM 902 HH21 ARG A 136 96.060 50.632 17.106 1.00 0.00 H ATOM 903 H ARG A 136 89.854 53.961 18.457 1.00 0.00 H ATOM 904 N GLY A 137 92.618 56.939 20.008 1.00 2.00 N ATOM 905 CA GLY A 137 93.630 57.893 19.598 1.00 2.00 C ATOM 906 C GLY A 137 93.101 59.100 18.834 1.00 2.00 C ATOM 907 O GLY A 137 93.891 59.935 18.417 1.00 2.00 O ATOM 908 HA3 GLY A 137 94.346 57.375 18.960 1.00 0.00 H ATOM 909 HA2 GLY A 137 94.138 58.254 20.492 1.00 0.00 H ATOM 910 H GLY A 137 92.183 57.035 20.948 1.00 0.00 H ATOM 911 N ASP A 138 91.783 59.178 18.627 1.00 2.00 N ATOM 912 CA ASP A 138 91.180 60.359 18.051 1.00 2.00 C ATOM 913 C ASP A 138 91.549 61.491 18.972 1.00 2.00 C ATOM 914 O ASP A 138 91.476 61.335 20.180 1.00 2.00 O ATOM 915 CB ASP A 138 89.638 60.274 18.004 1.00 2.00 C ATOM 916 CG ASP A 138 89.106 59.654 16.739 1.00 2.00 C ATOM 917 OD1 ASP A 138 89.866 59.437 15.800 1.00 2.00 O ATOM 918 OD2 ASP A 138 87.885 59.398 16.691 1.00 2.00 O ATOM 919 HA ASP A 138 91.531 60.484 17.027 1.00 0.00 H ATOM 920 HB2 ASP A 138 89.300 59.676 18.850 1.00 0.00 H ATOM 921 HB3 ASP A 138 89.234 61.283 18.090 1.00 0.00 H ATOM 922 H ASP A 138 91.178 58.372 18.886 1.00 0.00 H ATOM 923 N ASP A 139 91.902 62.630 18.391 1.00 2.00 N ATOM 924 CA ASP A 139 92.281 63.832 19.123 1.00 2.00 C ATOM 925 C ASP A 139 91.102 64.788 19.125 1.00 2.00 C ATOM 926 O ASP A 139 90.683 65.249 18.065 1.00 2.00 O ATOM 927 CB ASP A 139 93.487 64.500 18.446 1.00 2.00 C ATOM 928 CG ASP A 139 93.950 65.738 19.179 1.00 2.00 C ATOM 929 OD1 ASP A 139 94.343 65.619 20.341 1.00 2.00 O ATOM 930 OD2 ASP A 139 93.907 66.838 18.608 1.00 2.00 O ATOM 931 HA ASP A 139 92.554 63.571 20.146 1.00 0.00 H ATOM 932 HB2 ASP A 139 94.309 63.785 18.412 1.00 0.00 H ATOM 933 HB3 ASP A 139 93.208 64.779 17.430 1.00 0.00 H ATOM 934 H ASP A 139 91.909 62.668 17.352 1.00 0.00 H ATOM 935 N PRO A 140 90.530 65.058 20.306 1.00 2.00 N ATOM 936 CA PRO A 140 89.340 65.926 20.358 1.00 2.00 C ATOM 937 C PRO A 140 89.438 67.274 19.631 1.00 2.00 C ATOM 938 O PRO A 140 88.512 67.635 18.910 1.00 2.00 O ATOM 939 CB PRO A 140 89.095 66.100 21.864 1.00 2.00 C ATOM 940 CG PRO A 140 89.621 64.816 22.460 1.00 2.00 C ATOM 941 CD PRO A 140 90.850 64.482 21.631 1.00 2.00 C ATOM 942 HA PRO A 140 88.518 65.461 19.813 1.00 0.00 H ATOM 943 HD3 PRO A 140 91.743 64.943 22.053 1.00 0.00 H ATOM 944 HD2 PRO A 140 90.996 63.404 21.564 1.00 0.00 H ATOM 945 HG3 PRO A 140 88.877 64.023 22.383 1.00 0.00 H ATOM 946 HG2 PRO A 140 89.890 64.959 23.507 1.00 0.00 H ATOM 947 HB2 PRO A 140 89.640 66.961 22.250 1.00 0.00 H ATOM 948 HB3 PRO A 140 88.032 66.220 22.074 1.00 0.00 H ATOM 949 N TRP A 141 90.532 68.000 19.809 1.00 2.00 N ATOM 950 CA TRP A 141 90.699 69.290 19.148 1.00 2.00 C ATOM 951 C TRP A 141 90.714 69.151 17.621 1.00 2.00 C ATOM 952 O TRP A 141 90.054 69.922 16.924 1.00 2.00 O ATOM 953 CB TRP A 141 91.971 70.005 19.608 1.00 2.00 C ATOM 954 CG TRP A 141 91.845 70.849 20.839 1.00 2.00 C ATOM 955 CD1 TRP A 141 92.662 70.822 21.927 1.00 2.00 C ATOM 956 CD2 TRP A 141 90.890 71.901 21.087 1.00 2.00 C ATOM 957 NE1 TRP A 141 92.264 71.770 22.850 1.00 2.00 N ATOM 958 CE2 TRP A 141 91.182 72.444 22.354 1.00 2.00 C ATOM 959 CE3 TRP A 141 89.820 72.428 20.366 1.00 2.00 C ATOM 960 CZ2 TRP A 141 90.433 73.495 22.916 1.00 2.00 C ATOM 961 CZ3 TRP A 141 89.083 73.467 20.919 1.00 2.00 C ATOM 962 CH2 TRP A 141 89.390 73.986 22.185 1.00 2.00 C ATOM 963 HA TRP A 141 89.837 69.892 19.435 1.00 0.00 H ATOM 964 HB2 TRP A 141 92.729 69.246 19.801 1.00 0.00 H ATOM 965 HB3 TRP A 141 92.303 70.650 18.795 1.00 0.00 H ATOM 966 HE1 TRP A 141 92.714 71.943 23.772 1.00 0.00 H ATOM 967 HD1 TRP A 141 93.510 70.148 22.052 1.00 0.00 H ATOM 968 HZ2 TRP A 141 90.677 73.901 23.898 1.00 0.00 H ATOM 969 HH2 TRP A 141 88.785 74.796 22.593 1.00 0.00 H ATOM 970 HZ3 TRP A 141 88.249 73.888 20.357 1.00 0.00 H ATOM 971 HE3 TRP A 141 89.566 72.031 19.383 1.00 0.00 H ATOM 972 H TRP A 141 91.285 67.644 20.431 1.00 0.00 H ATOM 973 N THR A 142 91.470 68.187 17.111 1.00 2.00 N ATOM 974 CA THR A 142 91.489 67.883 15.683 1.00 2.00 C ATOM 975 C THR A 142 90.070 67.579 15.167 1.00 2.00 C ATOM 976 O THR A 142 89.632 68.108 14.148 1.00 2.00 O ATOM 977 CB THR A 142 92.422 66.664 15.420 1.00 2.00 C ATOM 978 OG1 THR A 142 93.747 66.950 15.901 1.00 2.00 O ATOM 979 CG2 THR A 142 92.457 66.291 13.955 1.00 2.00 C ATOM 980 HA THR A 142 91.867 68.754 15.148 1.00 0.00 H ATOM 981 HB THR A 142 92.020 65.808 15.962 1.00 0.00 H ATOM 982 HG1 THR A 142 93.712 67.131 16.874 1.00 0.00 H ATOM 983 HG23 THR A 142 91.445 66.079 13.611 1.00 0.00 H ATOM 984 HG21 THR A 142 92.871 67.119 13.380 1.00 0.00 H ATOM 985 HG22 THR A 142 93.080 65.407 13.821 1.00 0.00 H ATOM 986 H THR A 142 92.070 67.628 17.751 1.00 0.00 H ATOM 987 N GLU A 143 89.340 66.727 15.877 1.00 2.00 N ATOM 988 CA GLU A 143 87.991 66.389 15.431 1.00 2.00 C ATOM 989 C GLU A 143 87.066 67.611 15.505 1.00 2.00 C ATOM 990 O GLU A 143 86.204 67.798 14.653 1.00 2.00 O ATOM 991 CB GLU A 143 87.434 65.221 16.229 1.00 2.00 C ATOM 992 CG GLU A 143 88.276 63.943 16.127 1.00 2.00 C ATOM 993 CD GLU A 143 88.355 63.367 14.719 1.00 2.00 C ATOM 994 OE1 GLU A 143 87.290 63.243 14.085 1.00 2.00 O ATOM 995 OE2 GLU A 143 89.475 63.026 14.243 1.00 2.00 O ATOM 996 HA GLU A 143 88.045 66.081 14.387 1.00 0.00 H ATOM 997 HB2 GLU A 143 87.381 65.515 17.277 1.00 0.00 H ATOM 998 HB3 GLU A 143 86.431 65.002 15.863 1.00 0.00 H ATOM 999 HG2 GLU A 143 89.288 64.171 16.462 1.00 0.00 H ATOM 1000 HG3 GLU A 143 87.838 63.190 16.782 1.00 0.00 H ATOM 1001 H GLU A 143 89.726 66.303 16.745 1.00 0.00 H ATOM 1002 N HIS A 144 87.262 68.449 16.521 1.00 2.00 N ATOM 1003 CA HIS A 144 86.476 69.678 16.662 1.00 2.00 C ATOM 1004 C HIS A 144 86.655 70.557 15.412 1.00 2.00 C ATOM 1005 O HIS A 144 85.677 70.996 14.803 1.00 2.00 O ATOM 1006 CB HIS A 144 86.867 70.435 17.923 1.00 2.00 C ATOM 1007 CG HIS A 144 85.781 71.329 18.457 1.00 2.00 C ATOM 1008 ND1 HIS A 144 85.660 71.626 19.796 1.00 2.00 N ATOM 1009 CD2 HIS A 144 84.763 71.979 17.831 1.00 2.00 C ATOM 1010 CE1 HIS A 144 84.621 72.432 19.969 1.00 2.00 C ATOM 1011 NE2 HIS A 144 84.050 72.648 18.796 1.00 2.00 N ATOM 1012 HA HIS A 144 85.423 69.412 16.755 1.00 0.00 H ATOM 1013 HB2 HIS A 144 87.125 69.709 18.694 1.00 0.00 H ATOM 1014 HB3 HIS A 144 87.739 71.050 17.699 1.00 0.00 H ATOM 1015 HD2 HIS A 144 84.552 71.971 16.762 1.00 0.00 H ATOM 1016 HE1 HIS A 144 84.292 72.848 20.921 1.00 0.00 H ATOM 1017 H HIS A 144 87.989 68.226 17.230 1.00 0.00 H ATOM 1018 N ALA A 145 87.905 70.757 15.016 1.00 2.00 N ATOM 1019 CA ALA A 145 88.244 71.538 13.808 1.00 2.00 C ATOM 1020 C ALA A 145 87.825 70.883 12.496 1.00 2.00 C ATOM 1021 O ALA A 145 87.418 71.585 11.600 1.00 2.00 O ATOM 1022 CB ALA A 145 89.725 71.855 13.769 1.00 2.00 C ATOM 1023 HA ALA A 145 87.663 72.457 13.892 1.00 0.00 H ATOM 1024 HB1 ALA A 145 89.994 72.437 14.651 1.00 0.00 H ATOM 1025 HB2 ALA A 145 90.294 70.925 13.758 1.00 0.00 H ATOM 1026 HB3 ALA A 145 89.949 72.430 12.871 1.00 0.00 H ATOM 1027 H ALA A 145 88.678 70.348 15.578 1.00 0.00 H ATOM 1028 N LYS A 146 87.942 69.556 12.379 1.00 2.00 N ATOM 1029 CA LYS A 146 87.477 68.824 11.182 1.00 2.00 C ATOM 1030 C LYS A 146 86.012 69.113 10.887 1.00 2.00 C ATOM 1031 O LYS A 146 85.656 69.501 9.783 1.00 2.00 O ATOM 1032 CB LYS A 146 87.612 67.302 11.353 1.00 2.00 C ATOM 1033 CG LYS A 146 88.861 66.671 10.759 1.00 2.00 C ATOM 1034 CD LYS A 146 88.859 65.129 10.954 1.00 2.00 C ATOM 1035 CE LYS A 146 90.279 64.523 10.876 1.00 2.00 C ATOM 1036 NZ LYS A 146 90.478 63.229 11.652 1.00 2.00 N ATOM 1037 HA LYS A 146 88.108 69.168 10.362 1.00 0.00 H ATOM 1038 HB2 LYS A 146 87.604 67.084 12.421 1.00 0.00 H ATOM 1039 HB3 LYS A 146 86.747 66.836 10.882 1.00 0.00 H ATOM 1040 HG2 LYS A 146 88.900 66.895 9.693 1.00 0.00 H ATOM 1041 HG3 LYS A 146 89.739 67.091 11.250 1.00 0.00 H ATOM 1042 HD2 LYS A 146 88.434 64.900 11.931 1.00 0.00 H ATOM 1043 HD3 LYS A 146 88.243 64.678 10.176 1.00 0.00 H ATOM 1044 HE2 LYS A 146 90.982 65.260 11.264 1.00 0.00 H ATOM 1045 HE3 LYS A 146 90.504 64.325 9.828 1.00 0.00 H ATOM 1046 HZ1 LYS A 146 90.283 63.397 12.660 1.00 0.00 H ATOM 1047 HZ2 LYS A 146 89.827 62.504 11.288 1.00 0.00 H ATOM 1048 HZ3 LYS A 146 91.459 62.904 11.537 1.00 0.00 H ATOM 1049 H LYS A 146 88.376 69.020 13.158 1.00 0.00 H ATOM 1050 N TRP A 147 85.176 68.914 11.901 1.00 2.00 N ATOM 1051 CA TRP A 147 83.730 68.886 11.733 1.00 2.00 C ATOM 1052 C TRP A 147 83.036 70.222 11.974 1.00 2.00 C ATOM 1053 O TRP A 147 82.006 70.501 11.366 1.00 2.00 O ATOM 1054 CB TRP A 147 83.136 67.820 12.652 1.00 2.00 C ATOM 1055 CG TRP A 147 83.617 66.457 12.316 1.00 2.00 C ATOM 1056 CD1 TRP A 147 84.474 65.672 13.051 1.00 2.00 C ATOM 1057 CD2 TRP A 147 83.295 65.708 11.141 1.00 2.00 C ATOM 1058 NE1 TRP A 147 84.687 64.473 12.402 1.00 2.00 N ATOM 1059 CE2 TRP A 147 83.988 64.479 11.223 1.00 2.00 C ATOM 1060 CE3 TRP A 147 82.491 65.959 10.026 1.00 2.00 C ATOM 1061 CZ2 TRP A 147 83.888 63.502 10.237 1.00 2.00 C ATOM 1062 CZ3 TRP A 147 82.401 64.991 9.041 1.00 2.00 C ATOM 1063 CH2 TRP A 147 83.093 63.776 9.156 1.00 2.00 C ATOM 1064 HA TRP A 147 83.551 68.649 10.684 1.00 0.00 H ATOM 1065 HB2 TRP A 147 83.416 68.048 13.681 1.00 0.00 H ATOM 1066 HB3 TRP A 147 82.050 67.842 12.559 1.00 0.00 H ATOM 1067 HE1 TRP A 147 85.280 63.693 12.750 1.00 0.00 H ATOM 1068 HD1 TRP A 147 84.919 65.955 14.005 1.00 0.00 H ATOM 1069 HZ2 TRP A 147 84.422 62.555 10.322 1.00 0.00 H ATOM 1070 HH2 TRP A 147 82.996 63.032 8.366 1.00 0.00 H ATOM 1071 HZ3 TRP A 147 81.783 65.175 8.162 1.00 0.00 H ATOM 1072 HE3 TRP A 147 81.946 66.898 9.934 1.00 0.00 H ATOM 1073 H TRP A 147 85.571 68.773 12.853 1.00 0.00 H ATOM 1074 N PHE A 148 83.589 71.030 12.869 1.00 2.00 N ATOM 1075 CA PHE A 148 82.974 72.307 13.253 1.00 2.00 C ATOM 1076 C PHE A 148 83.997 73.440 13.218 1.00 2.00 C ATOM 1077 O PHE A 148 84.270 74.060 14.256 1.00 2.00 O ATOM 1078 CB PHE A 148 82.383 72.211 14.667 1.00 2.00 C ATOM 1079 CG PHE A 148 81.626 70.945 14.922 1.00 2.00 C ATOM 1080 CD1 PHE A 148 80.475 70.650 14.203 1.00 2.00 C ATOM 1081 CD2 PHE A 148 82.049 70.053 15.907 1.00 2.00 C ATOM 1082 CE1 PHE A 148 79.772 69.475 14.452 1.00 2.00 C ATOM 1083 CE2 PHE A 148 81.359 68.872 16.149 1.00 2.00 C ATOM 1084 CZ PHE A 148 80.234 68.576 15.427 1.00 2.00 C ATOM 1085 HA PHE A 148 82.181 72.521 12.536 1.00 0.00 H ATOM 1086 HB2 PHE A 148 83.200 72.274 15.386 1.00 0.00 H ATOM 1087 HB3 PHE A 148 81.706 73.052 14.814 1.00 0.00 H ATOM 1088 HD2 PHE A 148 82.936 70.286 16.497 1.00 0.00 H ATOM 1089 HE2 PHE A 148 81.713 68.181 16.914 1.00 0.00 H ATOM 1090 HZ PHE A 148 79.698 67.644 15.609 1.00 0.00 H ATOM 1091 HE1 PHE A 148 78.864 69.253 13.891 1.00 0.00 H ATOM 1092 HD1 PHE A 148 80.120 71.342 13.440 1.00 0.00 H ATOM 1093 H PHE A 148 84.487 70.750 13.313 1.00 0.00 H ATOM 1094 N PRO A 149 84.553 73.719 12.028 1.00 2.00 N ATOM 1095 CA PRO A 149 85.606 74.719 11.885 1.00 2.00 C ATOM 1096 C PRO A 149 85.122 76.159 12.069 1.00 2.00 C ATOM 1097 O PRO A 149 85.944 77.061 12.216 1.00 2.00 O ATOM 1098 CB PRO A 149 86.100 74.497 10.458 1.00 2.00 C ATOM 1099 CG PRO A 149 84.938 73.920 9.744 1.00 2.00 C ATOM 1100 CD PRO A 149 84.205 73.098 10.734 1.00 2.00 C ATOM 1101 HA PRO A 149 86.371 74.601 12.653 1.00 0.00 H ATOM 1102 HD3 PRO A 149 83.130 73.142 10.557 1.00 0.00 H ATOM 1103 HD2 PRO A 149 84.535 72.060 10.699 1.00 0.00 H ATOM 1104 HG3 PRO A 149 85.275 73.299 8.914 1.00 0.00 H ATOM 1105 HG2 PRO A 149 84.296 74.715 9.364 1.00 0.00 H ATOM 1106 HB2 PRO A 149 86.401 75.441 10.004 1.00 0.00 H ATOM 1107 HB3 PRO A 149 86.942 73.805 10.446 1.00 0.00 H ATOM 1108 N GLY A 150 83.806 76.371 12.067 1.00 2.00 N ATOM 1109 CA GLY A 150 83.238 77.690 12.338 1.00 2.00 C ATOM 1110 C GLY A 150 83.056 78.019 13.812 1.00 2.00 C ATOM 1111 O GLY A 150 82.690 79.138 14.143 1.00 2.00 O ATOM 1112 HA3 GLY A 150 82.262 77.744 11.856 1.00 0.00 H ATOM 1113 HA2 GLY A 150 83.899 78.439 11.903 1.00 0.00 H ATOM 1114 H GLY A 150 83.166 75.576 11.867 1.00 0.00 H ATOM 1115 N CYS A 151 83.298 77.059 14.702 1.00 2.00 N ATOM 1116 CA CYS A 151 83.063 77.261 16.137 1.00 2.00 C ATOM 1117 C CYS A 151 83.966 78.350 16.736 1.00 2.00 C ATOM 1118 O CYS A 151 85.190 78.328 16.560 1.00 2.00 O ATOM 1119 CB CYS A 151 83.307 75.955 16.884 1.00 2.00 C ATOM 1120 SG CYS A 151 83.135 76.032 18.677 1.00 2.00 S ATOM 1121 HA CYS A 151 82.029 77.586 16.248 1.00 0.00 H ATOM 1122 HB2 CYS A 151 84.321 75.625 16.659 1.00 0.00 H ATOM 1123 HB3 CYS A 151 82.596 75.218 16.511 1.00 0.00 H ATOM 1124 HG CYS A 151 83.383 74.786 19.215 1.00 0.00 H ATOM 1125 H CYS A 151 83.663 76.143 14.372 1.00 0.00 H ATOM 1126 N GLN A 152 83.360 79.280 17.465 1.00 2.00 N ATOM 1127 CA GLN A 152 84.099 80.402 17.984 1.00 2.00 C ATOM 1128 C GLN A 152 84.863 80.048 19.253 1.00 2.00 C ATOM 1129 O GLN A 152 85.886 80.665 19.541 1.00 2.00 O ATOM 1130 CB GLN A 152 83.198 81.625 18.204 1.00 2.00 C ATOM 1131 CG GLN A 152 82.593 82.218 16.901 1.00 2.00 C ATOM 1132 CD GLN A 152 83.626 82.615 15.819 1.00 2.00 C ATOM 1133 OE1 GLN A 152 84.276 83.666 15.904 1.00 2.00 O ATOM 1134 NE2 GLN A 152 83.733 81.797 14.771 1.00 2.00 N ATOM 1135 HA GLN A 152 84.836 80.666 17.225 1.00 0.00 H ATOM 1136 HB2 GLN A 152 82.377 81.331 18.859 1.00 0.00 H ATOM 1137 HB3 GLN A 152 83.789 82.401 18.690 1.00 0.00 H ATOM 1138 HG2 GLN A 152 81.922 81.474 16.471 1.00 0.00 H ATOM 1139 HG3 GLN A 152 82.024 83.108 17.167 1.00 0.00 H ATOM 1140 HE22 GLN A 152 83.171 80.923 14.734 1.00 0.00 H ATOM 1141 HE21 GLN A 152 84.378 82.033 13.991 1.00 0.00 H ATOM 1142 H GLN A 152 82.342 79.197 17.663 1.00 0.00 H ATOM 1143 N PHE A 153 84.390 79.055 20.005 1.00 2.00 N ATOM 1144 CA PHE A 153 85.182 78.566 21.125 1.00 2.00 C ATOM 1145 C PHE A 153 86.502 77.954 20.630 1.00 2.00 C ATOM 1146 O PHE A 153 87.555 78.226 21.188 1.00 2.00 O ATOM 1147 CB PHE A 153 84.408 77.564 21.969 1.00 2.00 C ATOM 1148 CG PHE A 153 85.240 76.920 23.044 1.00 2.00 C ATOM 1149 CD1 PHE A 153 85.649 77.654 24.152 1.00 2.00 C ATOM 1150 CD2 PHE A 153 85.634 75.586 22.937 1.00 2.00 C ATOM 1151 CE1 PHE A 153 86.415 77.069 25.149 1.00 2.00 C ATOM 1152 CE2 PHE A 153 86.392 74.990 23.940 1.00 2.00 C ATOM 1153 CZ PHE A 153 86.794 75.738 25.047 1.00 2.00 C ATOM 1154 HA PHE A 153 85.412 79.421 21.761 1.00 0.00 H ATOM 1155 HB2 PHE A 153 83.573 78.082 22.441 1.00 0.00 H ATOM 1156 HB3 PHE A 153 84.025 76.782 21.313 1.00 0.00 H ATOM 1157 HD2 PHE A 153 85.346 75.006 22.060 1.00 0.00 H ATOM 1158 HE2 PHE A 153 86.672 73.939 23.861 1.00 0.00 H ATOM 1159 HZ PHE A 153 87.402 75.280 25.827 1.00 0.00 H ATOM 1160 HE1 PHE A 153 86.720 77.656 26.015 1.00 0.00 H ATOM 1161 HD1 PHE A 153 85.364 78.703 24.238 1.00 0.00 H ATOM 1162 H PHE A 153 83.463 78.633 19.794 1.00 0.00 H ATOM 1163 N LEU A 154 86.423 77.151 19.575 1.00 2.00 N ATOM 1164 CA LEU A 154 87.599 76.568 18.928 1.00 2.00 C ATOM 1165 C LEU A 154 88.524 77.651 18.371 1.00 2.00 C ATOM 1166 O LEU A 154 89.753 77.571 18.530 1.00 2.00 O ATOM 1167 CB LEU A 154 87.163 75.639 17.800 1.00 2.00 C ATOM 1168 CG LEU A 154 88.201 75.180 16.782 1.00 2.00 C ATOM 1169 CD1 LEU A 154 89.074 74.059 17.330 1.00 2.00 C ATOM 1170 CD2 LEU A 154 87.512 74.734 15.511 1.00 2.00 C ATOM 1171 HA LEU A 154 88.150 76.003 19.680 1.00 0.00 H ATOM 1172 HB2 LEU A 154 86.751 74.743 18.264 1.00 0.00 H ATOM 1173 HB3 LEU A 154 86.377 76.154 17.247 1.00 0.00 H ATOM 1174 HG LEU A 154 88.853 76.026 16.565 1.00 0.00 H ATOM 1175 HD21 LEU A 154 86.837 73.908 15.736 1.00 0.00 H ATOM 1176 HD22 LEU A 154 86.944 75.566 15.096 1.00 0.00 H ATOM 1177 HD23 LEU A 154 88.260 74.408 14.789 1.00 0.00 H ATOM 1178 HD11 LEU A 154 89.598 74.410 18.219 1.00 0.00 H ATOM 1179 HD12 LEU A 154 88.447 73.206 17.589 1.00 0.00 H ATOM 1180 HD13 LEU A 154 89.800 73.762 16.573 1.00 0.00 H ATOM 1181 H LEU A 154 85.483 76.926 19.191 1.00 0.00 H ATOM 1182 N LEU A 155 87.944 78.648 17.699 1.00 2.00 N ATOM 1183 CA LEU A 155 88.747 79.719 17.146 1.00 2.00 C ATOM 1184 C LEU A 155 89.504 80.419 18.267 1.00 2.00 C ATOM 1185 O LEU A 155 90.709 80.661 18.160 1.00 2.00 O ATOM 1186 CB LEU A 155 87.895 80.722 16.366 1.00 2.00 C ATOM 1187 CG LEU A 155 88.611 81.992 15.866 1.00 2.00 C ATOM 1188 CD1 LEU A 155 89.750 81.666 14.911 1.00 2.00 C ATOM 1189 CD2 LEU A 155 87.604 82.921 15.208 1.00 2.00 C ATOM 1190 HA LEU A 155 89.458 79.284 16.443 1.00 0.00 H ATOM 1191 HB2 LEU A 155 87.490 80.206 15.496 1.00 0.00 H ATOM 1192 HB3 LEU A 155 87.077 81.036 17.014 1.00 0.00 H ATOM 1193 HG LEU A 155 89.054 82.492 16.727 1.00 0.00 H ATOM 1194 HD21 LEU A 155 87.139 82.411 14.364 1.00 0.00 H ATOM 1195 HD22 LEU A 155 86.839 83.198 15.933 1.00 0.00 H ATOM 1196 HD23 LEU A 155 88.115 83.817 14.856 1.00 0.00 H ATOM 1197 HD11 LEU A 155 90.482 81.040 15.421 1.00 0.00 H ATOM 1198 HD12 LEU A 155 89.356 81.134 14.045 1.00 0.00 H ATOM 1199 HD13 LEU A 155 90.225 82.591 14.585 1.00 0.00 H ATOM 1200 H LEU A 155 86.912 78.656 17.572 1.00 0.00 H ATOM 1201 N ARG A 156 88.785 80.724 19.343 1.00 2.00 N ATOM 1202 CA ARG A 156 89.340 81.477 20.455 1.00 2.00 C ATOM 1203 C ARG A 156 90.467 80.701 21.110 1.00 2.00 C ATOM 1204 O ARG A 156 91.510 81.262 21.423 1.00 2.00 O ATOM 1205 CB ARG A 156 88.253 81.745 21.475 1.00 2.00 C ATOM 1206 CG ARG A 156 88.657 82.656 22.619 1.00 2.00 C ATOM 1207 CD ARG A 156 88.374 84.032 22.206 1.00 4.37 C ATOM 1208 NE ARG A 156 88.361 85.038 23.268 1.00 2.72 N ATOM 1209 CZ ARG A 156 88.151 86.319 23.001 1.00 2.61 C ATOM 1210 NH1 ARG A 156 87.920 86.695 21.740 1.00 2.00 N ATOM 1211 NH2 ARG A 156 88.160 87.225 23.978 1.00 8.49 N ATOM 1212 HA ARG A 156 89.735 82.421 20.079 1.00 0.00 H ATOM 1213 HB2 ARG A 156 87.410 82.204 20.958 1.00 0.00 H ATOM 1214 HB3 ARG A 156 87.942 80.789 21.897 1.00 0.00 H ATOM 1215 HG2 ARG A 156 88.083 82.410 23.512 1.00 0.00 H ATOM 1216 HG3 ARG A 156 89.720 82.541 22.829 1.00 0.00 H ATOM 1217 HD2 ARG A 156 87.394 84.041 21.728 1.00 0.00 H ATOM 1218 HD3 ARG A 156 89.133 84.324 21.481 1.00 0.00 H ATOM 1219 HE ARG A 156 88.520 84.742 24.252 1.00 0.00 H ATOM 1220 HH12 ARG A 156 87.754 87.697 21.518 1.00 0.00 H ATOM 1221 HH11 ARG A 156 87.906 85.985 20.980 1.00 0.00 H ATOM 1222 HH22 ARG A 156 87.994 88.228 23.759 1.00 0.00 H ATOM 1223 HH21 ARG A 156 88.333 86.929 24.960 1.00 0.00 H ATOM 1224 H ARG A 156 87.794 80.414 19.390 1.00 0.00 H ATOM 1225 N SER A 157 90.221 79.406 21.326 1.00 2.00 N ATOM 1226 CA SER A 157 91.144 78.531 22.028 1.00 2.00 C ATOM 1227 C SER A 157 92.406 78.178 21.214 1.00 2.00 C ATOM 1228 O SER A 157 93.509 78.269 21.739 1.00 2.00 O ATOM 1229 CB SER A 157 90.424 77.253 22.462 1.00 2.00 C ATOM 1230 OG SER A 157 89.330 77.520 23.316 1.00 2.00 O ATOM 1231 HA SER A 157 91.490 79.085 22.901 1.00 0.00 H ATOM 1232 HB2 SER A 157 91.132 76.612 22.988 1.00 0.00 H ATOM 1233 HB3 SER A 157 90.059 76.737 21.574 1.00 0.00 H ATOM 1234 HG SER A 157 88.678 78.096 22.844 1.00 0.00 H ATOM 1235 H SER A 157 89.327 79.006 20.975 1.00 0.00 H ATOM 1236 N LYS A 158 92.231 77.797 19.949 1.00 2.00 N ATOM 1237 CA LYS A 158 93.297 77.215 19.130 1.00 2.00 C ATOM 1238 C LYS A 158 93.889 78.112 18.025 1.00 2.00 C ATOM 1239 O LYS A 158 95.017 77.897 17.610 1.00 2.00 O ATOM 1240 CB LYS A 158 92.784 75.919 18.480 1.00 2.00 C ATOM 1241 CG LYS A 158 92.378 74.818 19.465 1.00 2.00 C ATOM 1242 CD LYS A 158 93.533 74.356 20.388 1.00 2.00 C ATOM 1243 CE LYS A 158 94.552 73.554 19.652 1.00 2.00 C ATOM 1244 NZ LYS A 158 95.720 73.199 20.529 1.00 2.00 N ATOM 1245 HA LYS A 158 94.115 77.050 19.831 1.00 0.00 H ATOM 1246 HB2 LYS A 158 91.914 76.167 17.872 1.00 0.00 H ATOM 1247 HB3 LYS A 158 93.574 75.526 17.840 1.00 0.00 H ATOM 1248 HG2 LYS A 158 91.567 75.195 20.089 1.00 0.00 H ATOM 1249 HG3 LYS A 158 92.026 73.958 18.895 1.00 0.00 H ATOM 1250 HD2 LYS A 158 94.017 75.235 20.813 1.00 0.00 H ATOM 1251 HD3 LYS A 158 93.119 73.747 21.192 1.00 0.00 H ATOM 1252 HE2 LYS A 158 94.912 74.134 18.802 1.00 0.00 H ATOM 1253 HE3 LYS A 158 94.087 72.636 19.293 1.00 0.00 H ATOM 1254 HZ1 LYS A 158 96.173 74.071 20.871 1.00 0.00 H ATOM 1255 HZ2 LYS A 158 95.386 72.640 21.340 1.00 0.00 H ATOM 1256 HZ3 LYS A 158 96.406 72.642 19.981 1.00 0.00 H ATOM 1257 H LYS A 158 91.291 77.919 19.522 1.00 0.00 H ATOM 1258 N GLY A 159 93.121 79.083 17.542 1.00 2.00 N ATOM 1259 CA GLY A 159 93.578 80.010 16.510 1.00 2.00 C ATOM 1260 C GLY A 159 93.220 79.550 15.112 1.00 2.00 C ATOM 1261 O GLY A 159 92.944 78.360 14.880 1.00 2.00 O ATOM 1262 HA3 GLY A 159 94.662 80.104 16.580 1.00 0.00 H ATOM 1263 HA2 GLY A 159 93.118 80.983 16.686 1.00 0.00 H ATOM 1264 H GLY A 159 92.155 79.187 17.914 1.00 0.00 H ATOM 1265 N GLN A 160 93.235 80.501 14.177 1.00 2.00 N ATOM 1266 CA GLN A 160 92.838 80.243 12.801 1.00 2.00 C ATOM 1267 C GLN A 160 93.857 79.365 12.071 1.00 2.00 C ATOM 1268 O GLN A 160 93.460 78.474 11.326 1.00 2.00 O ATOM 1269 CB GLN A 160 92.618 81.547 12.028 1.00 2.00 C ATOM 1270 CG GLN A 160 91.904 81.364 10.682 1.00 2.00 C ATOM 1271 CD GLN A 160 90.517 80.720 10.818 1.00 2.00 C ATOM 1272 OE1 GLN A 160 89.638 81.254 11.499 1.00 2.00 O ATOM 1273 NE2 GLN A 160 90.323 79.568 10.174 1.00 2.00 N ATOM 1274 HA GLN A 160 91.893 79.702 12.844 1.00 0.00 H ATOM 1275 HB2 GLN A 160 92.018 82.215 12.646 1.00 0.00 H ATOM 1276 HB3 GLN A 160 93.590 82.003 11.841 1.00 0.00 H ATOM 1277 HG2 GLN A 160 91.788 82.342 10.215 1.00 0.00 H ATOM 1278 HG3 GLN A 160 92.521 80.729 10.046 1.00 0.00 H ATOM 1279 HE22 GLN A 160 91.091 79.152 9.610 1.00 0.00 H ATOM 1280 HE21 GLN A 160 89.403 79.086 10.236 1.00 0.00 H ATOM 1281 H GLN A 160 93.541 81.460 14.440 1.00 0.00 H ATOM 1282 N GLU A 161 95.152 79.599 12.289 1.00 2.00 N ATOM 1283 CA GLU A 161 96.178 78.786 11.627 1.00 2.00 C ATOM 1284 C GLU A 161 95.980 77.309 11.936 1.00 2.00 C ATOM 1285 O GLU A 161 96.074 76.477 11.042 1.00 2.00 O ATOM 1286 CB GLU A 161 97.614 79.193 12.015 1.00 2.00 C ATOM 1287 CG GLU A 161 98.044 80.597 11.629 1.00 2.00 C ATOM 1288 CD GLU A 161 97.487 81.065 10.287 1.00 2.00 C ATOM 1289 OE1 GLU A 161 98.095 80.719 9.235 1.00 2.00 O ATOM 1290 OE2 GLU A 161 96.448 81.796 10.304 1.00 2.00 O ATOM 1291 HA GLU A 161 96.058 78.966 10.559 1.00 0.00 H ATOM 1292 HB2 GLU A 161 97.703 79.104 13.098 1.00 0.00 H ATOM 1293 HB3 GLU A 161 98.299 78.493 11.536 1.00 0.00 H ATOM 1294 HG2 GLU A 161 97.703 81.286 12.402 1.00 0.00 H ATOM 1295 HG3 GLU A 161 99.132 80.621 11.577 1.00 0.00 H ATOM 1296 H GLU A 161 95.437 80.364 12.934 1.00 0.00 H ATOM 1297 N TYR A 162 95.697 76.992 13.196 1.00 2.00 N ATOM 1298 CA TYR A 162 95.456 75.600 13.593 1.00 2.00 C ATOM 1299 C TYR A 162 94.285 74.983 12.834 1.00 2.00 C ATOM 1300 O TYR A 162 94.389 73.884 12.324 1.00 2.00 O ATOM 1301 CB TYR A 162 95.216 75.492 15.094 1.00 2.00 C ATOM 1302 CG TYR A 162 94.812 74.117 15.546 1.00 2.00 C ATOM 1303 CD1 TYR A 162 95.776 73.167 15.888 1.00 2.00 C ATOM 1304 CD2 TYR A 162 93.470 73.756 15.631 1.00 2.00 C ATOM 1305 CE1 TYR A 162 95.404 71.880 16.317 1.00 2.00 C ATOM 1306 CE2 TYR A 162 93.085 72.478 16.047 1.00 2.00 C ATOM 1307 CZ TYR A 162 94.056 71.546 16.384 1.00 2.00 C ATOM 1308 OH TYR A 162 93.681 70.282 16.803 1.00 2.00 O ATOM 1309 HA TYR A 162 96.355 75.040 13.336 1.00 0.00 H ATOM 1310 HB3 TYR A 162 94.425 76.190 15.367 1.00 0.00 H ATOM 1311 HB2 TYR A 162 96.136 75.767 15.610 1.00 0.00 H ATOM 1312 HD2 TYR A 162 92.704 74.485 15.368 1.00 0.00 H ATOM 1313 HE2 TYR A 162 92.029 72.215 16.106 1.00 0.00 H ATOM 1314 HE1 TYR A 162 96.166 71.151 16.594 1.00 0.00 H ATOM 1315 HD1 TYR A 162 96.833 73.426 15.822 1.00 0.00 H ATOM 1316 HH TYR A 162 94.490 69.748 17.002 1.00 0.00 H ATOM 1317 H TYR A 162 95.646 77.744 13.913 1.00 0.00 H ATOM 1318 N ILE A 163 93.183 75.710 12.743 1.00 2.00 N ATOM 1319 CA ILE A 163 92.002 75.219 12.034 1.00 2.00 C ATOM 1320 C ILE A 163 92.319 75.042 10.538 1.00 2.00 C ATOM 1321 O ILE A 163 91.988 74.012 9.951 1.00 2.00 O ATOM 1322 CB ILE A 163 90.776 76.173 12.202 1.00 2.00 C ATOM 1323 CG1 ILE A 163 90.381 76.327 13.682 1.00 2.00 C ATOM 1324 CG2 ILE A 163 89.589 75.665 11.379 1.00 2.00 C ATOM 1325 CD1 ILE A 163 89.460 77.508 13.963 1.00 2.00 C ATOM 1326 HA ILE A 163 91.737 74.257 12.473 1.00 0.00 H ATOM 1327 HB ILE A 163 91.065 77.157 11.832 1.00 0.00 H ATOM 1328 HG12 ILE A 163 89.874 75.415 13.997 1.00 0.00 H ATOM 1329 HG13 ILE A 163 91.291 76.456 14.267 1.00 0.00 H ATOM 1330 HD11 ILE A 163 89.955 78.432 13.666 1.00 0.00 H ATOM 1331 HD12 ILE A 163 88.537 77.390 13.395 1.00 0.00 H ATOM 1332 HD13 ILE A 163 89.231 77.543 15.028 1.00 0.00 H ATOM 1333 HG21 ILE A 163 89.868 75.627 10.326 1.00 0.00 H ATOM 1334 HG22 ILE A 163 89.313 74.667 11.720 1.00 0.00 H ATOM 1335 HG23 ILE A 163 88.744 76.341 11.507 1.00 0.00 H ATOM 1336 H ILE A 163 93.156 76.651 13.185 1.00 0.00 H ATOM 1337 N ASN A 164 92.954 76.052 9.945 1.00 2.00 N ATOM 1338 CA ASN A 164 93.347 76.042 8.535 1.00 2.00 C ATOM 1339 C ASN A 164 94.225 74.851 8.161 1.00 2.00 C ATOM 1340 O ASN A 164 94.102 74.303 7.063 1.00 2.00 O ATOM 1341 CB ASN A 164 94.090 77.338 8.176 1.00 2.00 C ATOM 1342 CG ASN A 164 93.151 78.516 7.947 1.00 2.00 C ATOM 1343 OD1 ASN A 164 91.938 78.392 8.084 1.00 2.00 O ATOM 1344 ND2 ASN A 164 93.712 79.657 7.581 1.00 2.00 N ATOM 1345 HA ASN A 164 92.420 75.960 7.967 1.00 0.00 H ATOM 1346 HB2 ASN A 164 94.769 77.587 8.992 1.00 0.00 H ATOM 1347 HB3 ASN A 164 94.665 77.169 7.265 1.00 0.00 H ATOM 1348 HD22 ASN A 164 94.745 79.719 7.477 1.00 0.00 H ATOM 1349 HD21 ASN A 164 93.120 80.492 7.398 1.00 0.00 H ATOM 1350 H ASN A 164 93.183 76.892 10.514 1.00 0.00 H ATOM 1351 N ASN A 165 95.125 74.475 9.066 1.00 2.00 N ATOM 1352 CA ASN A 165 96.068 73.398 8.807 1.00 2.00 C ATOM 1353 C ASN A 165 95.364 72.020 8.866 1.00 2.00 C ATOM 1354 O ASN A 165 95.721 71.089 8.147 1.00 2.00 O ATOM 1355 CB ASN A 165 97.255 73.467 9.794 1.00 2.00 C ATOM 1356 CG ASN A 165 98.217 74.643 9.515 1.00 3.21 C ATOM 1357 OD1 ASN A 165 98.343 75.152 8.375 1.00 2.00 O ATOM 1358 ND2 ASN A 165 98.930 75.061 10.565 1.00 3.44 N ATOM 1359 HA ASN A 165 96.463 73.522 7.799 1.00 0.00 H ATOM 1360 HB2 ASN A 165 96.859 73.576 10.804 1.00 0.00 H ATOM 1361 HB3 ASN A 165 97.817 72.536 9.724 1.00 0.00 H ATOM 1362 HD22 ASN A 165 98.797 74.614 11.495 1.00 0.00 H ATOM 1363 HD21 ASN A 165 99.617 75.833 10.453 1.00 0.00 H ATOM 1364 H ASN A 165 95.155 74.964 9.983 1.00 0.00 H ATOM 1365 N ILE A 166 94.351 71.896 9.713 1.00 2.00 N ATOM 1366 CA ILE A 166 93.573 70.660 9.763 1.00 2.00 C ATOM 1367 C ILE A 166 92.738 70.443 8.509 1.00 2.00 C ATOM 1368 O ILE A 166 92.617 69.304 8.044 1.00 5.22 O ATOM 1369 CB ILE A 166 92.771 70.585 11.025 1.00 2.00 C ATOM 1370 CG1 ILE A 166 93.715 70.116 12.131 1.00 2.00 C ATOM 1371 CG2 ILE A 166 91.599 69.599 10.907 1.00 2.00 C ATOM 1372 CD1 ILE A 166 93.358 70.606 13.434 1.00 2.00 C ATOM 1373 HA ILE A 166 94.276 69.828 9.782 1.00 0.00 H ATOM 1374 HB ILE A 166 92.345 71.565 11.239 1.00 0.00 H ATOM 1375 HG12 ILE A 166 93.703 69.026 12.156 1.00 0.00 H ATOM 1376 HG13 ILE A 166 94.722 70.462 11.896 1.00 0.00 H ATOM 1377 HD11 ILE A 166 93.376 71.696 13.428 1.00 0.00 H ATOM 1378 HD12 ILE A 166 92.357 70.259 13.689 1.00 0.00 H ATOM 1379 HD13 ILE A 166 94.071 70.233 14.169 1.00 0.00 H ATOM 1380 HG21 ILE A 166 90.937 69.918 10.102 1.00 0.00 H ATOM 1381 HG22 ILE A 166 91.984 68.603 10.689 1.00 0.00 H ATOM 1382 HG23 ILE A 166 91.047 69.579 11.847 1.00 0.00 H ATOM 1383 H ILE A 166 94.108 72.684 10.346 1.00 0.00 H ATOM 1384 N HIS A 167 92.220 71.514 7.914 1.00 2.00 N ATOM 1385 CA HIS A 167 91.661 71.398 6.564 1.00 3.19 C ATOM 1386 C HIS A 167 92.753 71.377 5.508 1.00 2.00 C ATOM 1387 O HIS A 167 92.491 71.684 4.346 1.00 2.03 O ATOM 1388 CB HIS A 167 90.635 72.502 6.298 1.00 3.82 C ATOM 1389 CG HIS A 167 89.356 72.279 7.040 1.00 2.77 C ATOM 1390 ND1 HIS A 167 89.331 71.853 8.352 1.00 2.00 N ATOM 1391 CD2 HIS A 167 88.062 72.388 6.653 1.00 2.99 C ATOM 1392 CE1 HIS A 167 88.075 71.718 8.746 1.00 2.00 C ATOM 1393 NE2 HIS A 167 87.285 72.035 7.734 1.00 3.50 N ATOM 1394 HA HIS A 167 91.139 70.443 6.501 1.00 0.00 H ATOM 1395 HB2 HIS A 167 91.059 73.457 6.609 1.00 0.00 H ATOM 1396 HB3 HIS A 167 90.420 72.531 5.230 1.00 0.00 H ATOM 1397 HD2 HIS A 167 87.704 72.697 5.671 1.00 0.00 H ATOM 1398 HE1 HIS A 167 87.747 71.400 9.736 1.00 0.00 H ATOM 1399 H HIS A 167 92.212 72.431 8.405 1.00 0.00 H TER 1400 HIS A 167 HETATM 1401 ZN ZN A 1 82.396 73.873 19.165 1.00 2.00 ZN HETATM 1402 O HOH 2 95.984 78.270 21.125 1.00 2.00 O HETATM 1403 O HOH 3 90.212 68.752 31.153 1.00 2.00 O HETATM 1404 O HOH 4 92.139 68.467 24.185 1.00 2.00 O HETATM 1405 O HOH 5 86.375 76.374 28.985 1.00 2.00 O HETATM 1406 O HOH 6 76.946 62.762 31.171 1.00 2.00 O HETATM 1407 O HOH 7 75.708 74.999 34.496 1.00 2.00 O HETATM 1408 O HOH 8 79.266 59.965 31.871 1.00 2.00 O HETATM 1409 O HOH 9 92.903 58.369 29.580 1.00 2.00 O HETATM 1410 O HOH 10 91.584 59.878 32.061 1.00 2.00 O HETATM 1411 O HOH 11 81.514 74.843 11.412 1.00 2.00 O HETATM 1412 O HOH 12 74.525 82.342 24.698 1.00 2.00 O HETATM 1413 O HOH 13 92.558 67.378 21.721 1.00 2.00 O HETATM 1414 O HOH 14 79.462 76.194 33.357 1.00 2.00 O HETATM 1415 O HOH 15 84.322 72.080 42.146 1.00 2.00 O HETATM 1416 O HOH 16 79.417 80.130 29.040 1.00 2.00 O HETATM 1417 O HOH 17 84.860 58.224 36.859 1.00 2.00 O HETATM 1418 O HOH 18 85.795 62.172 34.545 1.00 2.00 O HETATM 1419 O HOH 19 85.945 53.896 30.267 1.00 2.00 O HETATM 1420 O HOH 20 86.743 76.802 31.802 1.00 2.00 O HETATM 1421 O HOH 21 95.685 61.186 19.752 1.00 2.00 O HETATM 1422 O HOH 22 90.560 84.639 24.793 1.00 2.00 O HETATM 1423 O HOH 23 86.710 75.216 35.086 1.00 2.00 O HETATM 1424 O HOH 24 85.861 79.055 13.854 1.00 2.00 O HETATM 1425 O HOH 25 80.390 79.399 16.939 1.00 2.00 O HETATM 1426 O HOH 26 84.395 78.816 28.692 1.00 2.00 O HETATM 1427 O HOH 27 89.200 52.461 28.423 1.00 2.00 O HETATM 1428 O HOH 28 91.388 83.124 17.846 1.00 2.00 O HETATM 1429 O HOH 29 88.218 62.457 35.144 1.00 2.00 O HETATM 1430 O HOH 30 96.882 75.889 18.258 1.00 2.00 O HETATM 1431 O HOH 31 75.358 83.520 26.908 1.00 2.00 O HETATM 1432 O HOH 32 94.144 70.040 25.600 1.00 2.00 O HETATM 1433 O HOH 33 76.553 76.106 36.854 1.00 2.00 O HETATM 1434 O HOH 34 77.898 55.531 27.929 1.00 2.00 O HETATM 1435 O HOH 35 88.987 77.139 28.090 1.00 2.00 O HETATM 1436 O HOH 36 82.353 73.662 42.444 1.00 2.00 O HETATM 1437 O HOH 37 95.392 68.939 18.180 1.00 2.00 O HETATM 1438 O HOH 38 79.548 77.331 36.301 1.00 2.00 O HETATM 1439 O HOH 39 83.055 75.547 37.683 1.00 2.00 O HETATM 1440 O HOH 40 92.047 68.168 32.744 1.00 2.00 O HETATM 1441 O HOH 41 90.230 60.858 34.968 1.00 2.00 O HETATM 1442 O HOH 42 93.407 72.457 25.561 1.00 2.00 O HETATM 1443 O HOH 43 93.306 84.692 9.933 1.00 2.00 O HETATM 1444 O HOH 44 76.752 58.799 32.037 1.00 2.00 O HETATM 1445 O HOH 45 78.648 75.947 38.522 1.00 2.00 O HETATM 1446 O HOH 46 87.501 78.507 9.845 1.00 2.00 O HETATM 1447 O HOH 47 83.217 73.717 39.184 1.00 2.00 O HETATM 1448 O HOH 48 95.264 63.335 21.504 1.00 2.00 O HETATM 1449 O HOH 49 93.509 61.238 22.355 1.00 2.00 O HETATM 1450 O HOH 50 92.954 82.835 7.487 1.00 2.00 O HETATM 1451 O HOH 51 80.498 53.397 30.554 1.00 2.00 O HETATM 1452 O HOH 52 91.872 49.680 24.234 1.00 2.00 O HETATM 1453 O HOH 53 84.193 50.769 28.833 1.00 2.00 O HETATM 1454 O HOH 54 93.812 86.974 10.705 1.00 2.00 O HETATM 1455 O HOH 55 82.003 52.811 23.612 1.00 2.00 O HETATM 1456 O HOH 56 81.818 81.305 25.735 1.00 2.00 O HETATM 1457 O HOH 57 81.419 83.867 25.516 1.00 2.00 O HETATM 1458 O HOH 58 79.665 53.295 23.683 1.00 2.00 O HETATM 1459 O HOH 59 72.461 69.496 25.964 1.00 2.00 O HETATM 1460 O HOH 60 91.774 62.920 15.391 1.00 2.00 O HETATM 1461 O HOH 61 87.448 69.951 37.524 1.00 2.00 O HETATM 1462 O HOH 62 89.244 52.226 17.600 1.00 2.00 O HETATM 1463 O HOH 63 83.253 54.513 19.604 1.00 2.00 O HETATM 1464 O HOH 64 72.249 61.827 23.564 1.00 2.00 O HETATM 1465 O HOH 65 94.002 58.881 23.313 1.00 2.00 O HETATM 1466 O HOH 66 96.006 69.744 23.641 1.00 2.00 O HETATM 1467 O HOH 67 85.123 60.925 36.206 1.00 2.00 O HETATM 1468 O HOH 68 87.609 62.078 11.393 1.00 2.00 O HETATM 1469 O HOH 69 92.988 63.154 11.581 1.00 2.00 O HETATM 1470 O HOH 70 84.051 56.350 13.625 1.00 2.00 O HETATM 1471 O HOH 71 85.577 73.555 5.952 1.00 2.00 O HETATM 1472 O6 UNN A 72 84.649 61.331 12.970 1.00 -0.39 O HETATM 1473 C5 UNN A 72 84.057 61.043 13.993 1.00 0.23 C HETATM 1474 C3 UNN A 72 84.846 60.447 15.187 1.00 0.06 C HETATM 1475 N2 UNN A 72 86.251 60.079 14.838 1.00 0.24 N HETATM 1476 C1 UNN A 72 86.371 58.956 13.882 1.00 -0.04 C HETATM 1477 H4 UNN A 72 87.434 58.755 13.684 1.00 0.08 H HETATM 1478 H5 UNN A 72 85.866 59.220 12.941 1.00 0.08 H HETATM 1479 H6 UNN A 72 85.902 58.058 14.310 1.00 0.08 H HETATM 1480 H2 UNN A 72 86.730 59.822 15.687 1.00 0.20 H HETATM 1481 H3 UNN A 72 86.697 60.887 14.432 1.00 0.20 H HETATM 1482 C4 UNN A 72 84.819 61.351 16.437 1.00 -0.00 C HETATM 1483 H7 UNN A 72 83.778 61.611 16.679 1.00 0.03 H HETATM 1484 H8 UNN A 72 85.390 62.270 16.238 1.00 0.03 H HETATM 1485 H9 UNN A 72 85.270 60.816 17.286 1.00 0.03 H HETATM 1486 H1 UNN A 72 84.333 59.513 15.460 1.00 0.11 H HETATM 1487 N7 UNN A 72 82.751 61.248 14.198 1.00 -0.26 N HETATM 1488 C8 UNN A 72 81.594 60.991 13.298 1.00 0.13 C HETATM 1489 C9 UNN A 72 80.570 62.090 13.710 1.00 0.21 C HETATM 1490 O15 UNN A 72 80.369 62.155 14.924 1.00 -0.39 O HETATM 1491 N10 UNN A 72 79.859 62.927 12.893 1.00 -0.24 N HETATM 1492 C11 UNN A 72 80.016 63.061 11.429 1.00 0.09 C HETATM 1493 C12 UNN A 72 79.802 61.762 10.621 1.00 -0.02 C HETATM 1494 C13 UNN A 72 80.822 60.612 10.807 1.00 -0.05 C HETATM 1495 C14 UNN A 72 81.967 60.817 11.814 1.00 -0.01 C HETATM 1496 H12 UNN A 72 82.628 59.941 11.742 1.00 0.03 H HETATM 1497 H13 UNN A 72 82.518 61.718 11.506 1.00 0.03 H HETATM 1498 H14 UNN A 72 80.258 59.724 11.129 1.00 0.03 H HETATM 1499 H15 UNN A 72 81.280 60.419 9.826 1.00 0.03 H HETATM 1500 H16 UNN A 72 78.812 61.368 10.893 1.00 0.03 H HETATM 1501 H17 UNN A 72 79.808 62.035 9.556 1.00 0.03 H HETATM 1502 S16 UNN A 72 78.710 64.206 10.945 1.00 -0.12 S HETATM 1503 C17 UNN A 72 78.567 65.005 12.553 1.00 0.05 C HETATM 1504 C19 UNN A 72 77.206 65.721 12.691 1.00 -0.05 C HETATM 1505 H19 UNN A 72 77.142 66.200 13.679 1.00 0.02 H HETATM 1506 H20 UNN A 72 76.393 64.987 12.586 1.00 0.02 H HETATM 1507 H21 UNN A 72 77.113 66.486 11.906 1.00 0.02 H HETATM 1508 C20 UNN A 72 79.649 66.101 12.718 1.00 -0.05 C HETATM 1509 H22 UNN A 72 79.543 66.575 13.705 1.00 0.02 H HETATM 1510 H23 UNN A 72 79.525 66.860 11.932 1.00 0.02 H HETATM 1511 H24 UNN A 72 80.647 65.646 12.635 1.00 0.02 H HETATM 1512 C18 UNN A 72 78.783 63.786 13.489 1.00 0.16 C HETATM 1513 C21 UNN A 72 77.540 62.853 13.706 1.00 0.24 C HETATM 1514 O22 UNN A 72 77.328 61.902 12.952 1.00 -0.38 O HETATM 1515 N23 UNN A 72 76.748 63.189 14.734 1.00 -0.20 N HETATM 1516 C24 UNN A 72 75.380 62.794 15.041 1.00 0.19 C HETATM 1517 C25 UNN A 72 74.496 62.345 14.087 1.00 -0.03 C HETATM 1518 C26 UNN A 72 73.298 62.066 14.737 1.00 -0.02 C HETATM 1519 C29 UNN A 72 72.012 61.545 14.127 1.00 -0.03 C HETATM 1520 H28 UNN A 72 71.252 61.432 14.914 1.00 0.04 H HETATM 1521 H29 UNN A 72 72.199 60.569 13.655 1.00 0.04 H HETATM 1522 H30 UNN A 72 71.651 62.256 13.369 1.00 0.04 H HETATM 1523 N27 UNN A 72 73.441 62.333 16.078 1.00 -0.24 N HETATM 1524 N28 UNN A 72 74.704 62.785 16.292 1.00 -0.15 N HETATM 1525 C30 UNN A 72 75.151 63.133 17.454 1.00 0.10 C HETATM 1526 C31 UNN A 72 74.323 63.886 18.321 1.00 -0.03 C HETATM 1527 C32 UNN A 72 74.770 64.268 19.584 1.00 -0.07 C HETATM 1528 C33 UNN A 72 76.048 63.902 19.996 1.00 -0.07 C HETATM 1529 C34 UNN A 72 76.876 63.159 19.152 1.00 -0.07 C HETATM 1530 C35 UNN A 72 76.448 62.770 17.890 1.00 -0.03 C HETATM 1531 H35 UNN A 72 77.101 62.194 17.244 1.00 0.06 H HETATM 1532 H34 UNN A 72 77.869 62.882 19.488 1.00 0.06 H HETATM 1533 H33 UNN A 72 76.403 64.195 20.977 1.00 0.05 H HETATM 1534 H32 UNN A 72 74.128 64.845 20.240 1.00 0.06 H HETATM 1535 H31 UNN A 72 73.328 64.169 17.998 1.00 0.06 H HETATM 1536 H27 UNN A 72 74.697 62.230 13.023 1.00 0.01 H HETATM 1537 H26 UNN A 72 77.163 63.811 15.397 1.00 0.23 H HETATM 1538 H25 UNN A 72 79.106 64.165 14.470 1.00 0.08 H HETATM 1539 H18 UNN A 72 81.012 63.468 11.199 1.00 0.07 H HETATM 1540 H11 UNN A 72 81.153 60.026 13.587 1.00 0.08 H HETATM 1541 H10 UNN A 72 82.517 61.632 15.091 1.00 0.19 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 1472 1473 CONECT 1473 1472 1474 1487 CONECT 1474 1473 1475 1482 1486 CONECT 1475 1474 1476 1480 1481 CONECT 1476 1475 1477 1478 1479 CONECT 1477 1476 CONECT 1478 1476 CONECT 1479 1476 CONECT 1480 1475 CONECT 1481 1475 CONECT 1482 1474 1483 1484 1485 CONECT 1483 1482 CONECT 1484 1482 CONECT 1485 1482 CONECT 1486 1474 CONECT 1487 1473 1488 1541 CONECT 1488 1487 1489 1495 1540 CONECT 1489 1488 1490 1491 CONECT 1490 1489 CONECT 1491 1489 1492 1512 CONECT 1492 1491 1493 1502 1539 CONECT 1493 1492 1494 1500 1501 CONECT 1494 1493 1495 1498 1499 CONECT 1495 1488 1494 1496 1497 CONECT 1496 1495 CONECT 1497 1495 CONECT 1498 1494 CONECT 1499 1494 CONECT 1500 1493 CONECT 1501 1493 CONECT 1502 1492 1503 CONECT 1503 1502 1504 1508 1512 CONECT 1504 1503 1505 1506 1507 CONECT 1505 1504 CONECT 1506 1504 CONECT 1507 1504 CONECT 1508 1503 1509 1510 1511 CONECT 1509 1508 CONECT 1510 1508 CONECT 1511 1508 CONECT 1512 1491 1503 1513 1538 CONECT 1513 1512 1514 1515 CONECT 1514 1513 CONECT 1515 1513 1516 1537 CONECT 1516 1515 1517 1524 CONECT 1517 1516 1518 1536 CONECT 1518 1517 1519 1523 CONECT 1519 1518 1520 1521 1522 CONECT 1520 1519 CONECT 1521 1519 CONECT 1522 1519 CONECT 1523 1518 1524 CONECT 1524 1516 1523 1525 CONECT 1525 1524 1526 1530 CONECT 1526 1525 1527 1535 CONECT 1527 1526 1528 1534 CONECT 1528 1527 1529 1533 CONECT 1529 1528 1530 1532 CONECT 1530 1525 1529 1531 CONECT 1531 1530 CONECT 1532 1529 CONECT 1533 1528 CONECT 1534 1527 CONECT 1535 1526 CONECT 1536 1517 CONECT 1537 1515 CONECT 1538 1512 CONECT 1539 1492 CONECT 1540 1488 CONECT 1541 1487 MASTER 0 0 0 0 0 0 0 0 1540 1 79 7 END
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Structure:
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Related entries of code: 2i3i
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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3f7h
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PDBbind
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3f7i
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PDBbind
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PDBbind
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3gta
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PDBbind
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
2i3i
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
baculoviral iap repeat-containing protein 7
Ligand Name
618
EC.Number
E.C.-.-.-.-
Resolution
2.3(Å)
Affinity (Kd/Ki/IC50)
Ki=0.05uM
Release Year
2006
Protein/NA Sequence
Check fasta file
Primary Reference
Chem.Biol.v1;pp.525-533
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
138.24
LOGP Value
2.80 (
Computed with XLOGP3
)
1.82 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 4
Canonical SMILES
C[NH2+][C@H](C(=O)N[C@@H]1CCC[C@@H]2N(C1=O)[C@H](C(=O)Nc1cc(nn1c1ccccc1)C)C(S2)(C)C)C
InChI String
InChI=1S/C25H34N6O3S/c1-15-14-19(31(29-15)17-10-7-6-8-11-17)28-23(33)21-25(3,4)35-20-13-9-12-18(24(34)30(20)21)27-22(32)16(2)26-5/h6-8,10-11,14,16,18,20-21,26H,9,12-13H2,1-5H3,(H,27,32)(H,28,33)/p+1/t16-,18+,20+,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):
Q96CA5
Entrez Gene ID
NCBI Entrez Gene ID:
79444
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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