Browse entries in the PDBbind-CN Database
HEADER 3GTA_COMPLEX COMPND 3GTA_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 200 73 ATOM 1 N GLY A 78 77.357 84.297 21.554 1.00 36.76 N ATOM 2 CA GLY A 78 77.565 83.615 22.867 1.00 30.36 C ATOM 3 C GLY A 78 77.438 82.108 22.757 1.00 28.68 C ATOM 4 O GLY A 78 77.071 81.589 21.700 1.00 31.21 O ATOM 5 HA3 GLY A 78 76.820 83.980 23.574 1.00 0.00 H ATOM 6 HA2 GLY A 78 78.562 83.858 23.235 1.00 0.00 H ATOM 7 HN3 GLY A 78 76.405 84.078 21.198 1.00 0.00 H ATOM 8 HN2 GLY A 78 78.069 83.961 20.874 1.00 0.00 H ATOM 9 HN1 GLY A 78 77.453 85.325 21.680 1.00 0.00 H ATOM 10 N PRO A 79 77.733 81.390 23.850 1.00 27.50 N ATOM 11 CA PRO A 79 77.672 79.928 23.802 1.00 26.71 C ATOM 12 C PRO A 79 76.247 79.395 23.707 1.00 23.50 C ATOM 13 O PRO A 79 75.315 80.004 24.239 1.00 23.02 O ATOM 14 CB PRO A 79 78.328 79.484 25.114 1.00 26.98 C ATOM 15 CG PRO A 79 78.459 80.687 25.957 1.00 29.32 C ATOM 16 CD PRO A 79 78.122 81.902 25.175 1.00 28.30 C ATOM 17 HA PRO A 79 78.172 79.542 22.914 1.00 0.00 H ATOM 18 HD3 PRO A 79 77.296 82.442 25.638 1.00 0.00 H ATOM 19 HD2 PRO A 79 78.986 82.562 25.095 1.00 0.00 H ATOM 20 HG3 PRO A 79 79.485 80.764 26.318 1.00 0.00 H ATOM 21 HG2 PRO A 79 77.781 80.606 26.807 1.00 0.00 H ATOM 22 HB2 PRO A 79 77.704 78.742 25.613 1.00 0.00 H ATOM 23 HB3 PRO A 79 79.311 79.056 24.916 1.00 0.00 H ATOM 24 N ALA A 80 76.097 78.276 23.010 1.00 23.32 N ATOM 25 CA ALA A 80 74.819 77.569 22.907 1.00 24.09 C ATOM 26 C ALA A 80 74.317 77.115 24.281 1.00 22.54 C ATOM 27 O ALA A 80 73.112 77.187 24.568 1.00 23.73 O ATOM 28 CB ALA A 80 74.974 76.362 21.984 1.00 24.02 C ATOM 29 HA ALA A 80 74.082 78.257 22.493 1.00 0.00 H ATOM 30 HB1 ALA A 80 75.282 76.700 20.995 1.00 0.00 H ATOM 31 HB2 ALA A 80 75.729 75.689 22.391 1.00 0.00 H ATOM 32 HB3 ALA A 80 74.021 75.838 21.910 1.00 0.00 H ATOM 33 H ALA A 80 76.923 77.884 22.515 1.00 0.00 H ATOM 34 N PHE A 81 75.253 76.663 25.117 1.00 21.79 N ATOM 35 CA PHE A 81 74.958 76.073 26.427 1.00 23.97 C ATOM 36 C PHE A 81 75.914 76.706 27.453 1.00 23.70 C ATOM 37 O PHE A 81 76.915 76.100 27.827 1.00 23.94 O ATOM 38 CB PHE A 81 75.159 74.555 26.344 1.00 23.84 C ATOM 39 CG PHE A 81 74.698 73.770 27.565 1.00 24.01 C ATOM 40 CD1 PHE A 81 74.236 74.385 28.724 1.00 24.80 C ATOM 41 CD2 PHE A 81 74.757 72.383 27.541 1.00 27.07 C ATOM 42 CE1 PHE A 81 73.829 73.631 29.826 1.00 25.37 C ATOM 43 CE2 PHE A 81 74.360 71.627 28.638 1.00 26.96 C ATOM 44 CZ PHE A 81 73.895 72.252 29.779 1.00 25.07 C ATOM 45 HA PHE A 81 73.928 76.263 26.730 1.00 0.00 H ATOM 46 HB2 PHE A 81 74.606 74.189 25.479 1.00 0.00 H ATOM 47 HB3 PHE A 81 76.222 74.363 26.202 1.00 0.00 H ATOM 48 HD2 PHE A 81 75.121 71.878 26.646 1.00 0.00 H ATOM 49 HE2 PHE A 81 74.416 70.539 28.598 1.00 0.00 H ATOM 50 HZ PHE A 81 73.582 71.659 30.638 1.00 0.00 H ATOM 51 HE1 PHE A 81 73.460 74.130 30.722 1.00 0.00 H ATOM 52 HD1 PHE A 81 74.191 75.473 28.772 1.00 0.00 H ATOM 53 H PHE A 81 76.248 76.733 24.823 1.00 0.00 H ATOM 54 N PRO A 82 75.613 77.938 27.904 1.00 22.72 N ATOM 55 CA PRO A 82 76.513 78.634 28.838 1.00 24.04 C ATOM 56 C PRO A 82 76.817 77.876 30.130 1.00 25.59 C ATOM 57 O PRO A 82 77.903 78.040 30.693 1.00 26.73 O ATOM 58 CB PRO A 82 75.756 79.923 29.165 1.00 25.03 C ATOM 59 CG PRO A 82 74.806 80.115 28.061 1.00 25.50 C ATOM 60 CD PRO A 82 74.449 78.765 27.544 1.00 23.90 C ATOM 61 HA PRO A 82 77.493 78.770 28.380 1.00 0.00 H ATOM 62 HD3 PRO A 82 73.543 78.392 28.022 1.00 0.00 H ATOM 63 HD2 PRO A 82 74.306 78.787 26.464 1.00 0.00 H ATOM 64 HG3 PRO A 82 75.267 80.708 27.271 1.00 0.00 H ATOM 65 HG2 PRO A 82 73.913 80.625 28.422 1.00 0.00 H ATOM 66 HB2 PRO A 82 75.225 79.823 30.111 1.00 0.00 H ATOM 67 HB3 PRO A 82 76.446 80.765 29.224 1.00 0.00 H ATOM 68 N GLY A 83 75.866 77.059 30.579 1.00 24.93 N ATOM 69 CA GLY A 83 76.002 76.270 31.803 1.00 25.41 C ATOM 70 C GLY A 83 77.150 75.277 31.817 1.00 26.29 C ATOM 71 O GLY A 83 77.562 74.829 32.891 1.00 27.88 O ATOM 72 HA3 GLY A 83 75.076 75.715 31.949 1.00 0.00 H ATOM 73 HA2 GLY A 83 76.145 76.961 32.634 1.00 0.00 H ATOM 74 H GLY A 83 74.984 76.978 30.033 1.00 0.00 H ATOM 75 N MET A 84 77.649 74.910 30.637 1.00 24.45 N ATOM 76 CA MET A 84 78.803 74.016 30.530 1.00 24.90 C ATOM 77 C MET A 84 80.070 74.739 30.069 1.00 25.73 C ATOM 78 O MET A 84 81.002 74.110 29.574 1.00 25.95 O ATOM 79 CB MET A 84 78.476 72.828 29.615 1.00 27.24 C ATOM 80 CG MET A 84 77.707 71.728 30.322 1.00 29.30 C ATOM 81 SD MET A 84 78.750 70.852 31.515 1.00 30.44 S ATOM 82 CE MET A 84 77.678 70.965 32.941 1.00 33.09 C ATOM 83 HA MET A 84 79.014 73.640 31.531 1.00 0.00 H ATOM 84 HB2 MET A 84 77.877 73.188 28.779 1.00 0.00 H ATOM 85 HB3 MET A 84 79.410 72.412 29.239 1.00 0.00 H ATOM 86 HG2 MET A 84 77.342 71.017 29.580 1.00 0.00 H ATOM 87 HG3 MET A 84 76.860 72.169 30.848 1.00 0.00 H ATOM 88 HE1 MET A 84 77.500 72.014 33.178 1.00 0.00 H ATOM 89 HE2 MET A 84 76.730 70.475 32.721 1.00 0.00 H ATOM 90 HE3 MET A 84 78.153 70.475 33.791 1.00 0.00 H ATOM 91 H MET A 84 77.206 75.269 29.767 1.00 0.00 H ATOM 92 N GLY A 85 80.120 76.052 30.285 1.00 25.56 N ATOM 93 CA GLY A 85 81.303 76.850 29.963 1.00 26.24 C ATOM 94 C GLY A 85 82.496 76.610 30.874 1.00 27.96 C ATOM 95 O GLY A 85 83.636 76.937 30.510 1.00 28.66 O ATOM 96 HA3 GLY A 85 81.031 77.903 30.029 1.00 0.00 H ATOM 97 HA2 GLY A 85 81.603 76.617 28.941 1.00 0.00 H ATOM 98 H GLY A 85 79.291 76.526 30.696 1.00 0.00 H ATOM 99 N SER A 86 82.243 76.041 32.051 1.00 26.19 N ATOM 100 CA SER A 86 83.302 75.701 33.004 1.00 26.68 C ATOM 101 C SER A 86 83.959 74.371 32.644 1.00 24.88 C ATOM 102 O SER A 86 83.281 73.343 32.559 1.00 25.31 O ATOM 103 CB SER A 86 82.737 75.614 34.424 1.00 27.71 C ATOM 104 OG SER A 86 83.656 74.983 35.309 1.00 26.54 O ATOM 105 HA SER A 86 84.052 76.490 32.957 1.00 0.00 H ATOM 106 HB2 SER A 86 81.811 75.039 34.403 1.00 0.00 H ATOM 107 HB3 SER A 86 82.529 76.621 34.786 1.00 0.00 H ATOM 108 HG SER A 86 83.263 74.942 36.217 1.00 0.00 H ATOM 109 H SER A 86 81.256 75.830 32.303 1.00 0.00 H ATOM 110 N GLU A 87 85.281 74.383 32.469 1.00 24.57 N ATOM 111 CA GLU A 87 86.022 73.156 32.151 1.00 25.25 C ATOM 112 C GLU A 87 85.859 72.107 33.254 1.00 25.16 C ATOM 113 O GLU A 87 85.730 70.914 32.967 1.00 26.26 O ATOM 114 CB GLU A 87 87.508 73.453 31.925 1.00 25.62 C ATOM 115 CG GLU A 87 88.309 72.249 31.439 1.00 26.20 C ATOM 116 CD GLU A 87 89.770 72.563 31.155 1.00 28.90 C ATOM 117 OE1 GLU A 87 90.138 73.757 31.076 1.00 32.20 O ATOM 118 OE2 GLU A 87 90.556 71.606 31.014 1.00 27.85 O ATOM 119 HA GLU A 87 85.603 72.754 31.229 1.00 0.00 H ATOM 120 HB2 GLU A 87 87.591 74.245 31.181 1.00 0.00 H ATOM 121 HB3 GLU A 87 87.938 73.795 32.867 1.00 0.00 H ATOM 122 HG2 GLU A 87 88.265 71.474 32.204 1.00 0.00 H ATOM 123 HG3 GLU A 87 87.852 71.878 30.522 1.00 0.00 H ATOM 124 H GLU A 87 85.798 75.281 32.560 1.00 0.00 H ATOM 125 N GLU A 88 85.856 72.561 34.503 1.00 24.91 N ATOM 126 CA GLU A 88 85.682 71.668 35.647 1.00 26.03 C ATOM 127 C GLU A 88 84.326 70.949 35.603 1.00 23.26 C ATOM 128 O GLU A 88 84.257 69.740 35.827 1.00 24.18 O ATOM 129 CB GLU A 88 85.843 72.454 36.945 1.00 27.71 C ATOM 130 CG GLU A 88 85.705 71.639 38.206 1.00 30.32 C ATOM 131 CD GLU A 88 86.226 72.384 39.419 1.00 37.57 C ATOM 132 OE1 GLU A 88 87.402 72.170 39.790 1.00 46.82 O ATOM 133 OE2 GLU A 88 85.472 73.206 39.987 1.00 44.80 O ATOM 134 HA GLU A 88 86.453 70.898 35.601 1.00 0.00 H ATOM 135 HB2 GLU A 88 86.833 72.910 36.944 1.00 0.00 H ATOM 136 HB3 GLU A 88 85.084 73.236 36.963 1.00 0.00 H ATOM 137 HG2 GLU A 88 84.652 71.405 38.361 1.00 0.00 H ATOM 138 HG3 GLU A 88 86.269 70.713 38.091 1.00 0.00 H ATOM 139 H GLU A 88 85.981 73.580 34.671 1.00 0.00 H ATOM 140 N LEU A 89 83.249 71.684 35.325 1.00 23.28 N ATOM 141 CA LEU A 89 81.934 71.052 35.180 1.00 23.02 C ATOM 142 C LEU A 89 81.932 70.048 34.024 1.00 23.55 C ATOM 143 O LEU A 89 81.365 68.956 34.143 1.00 24.83 O ATOM 144 CB LEU A 89 80.820 72.094 34.987 1.00 24.24 C ATOM 145 CG LEU A 89 80.562 73.103 36.113 1.00 25.49 C ATOM 146 CD1 LEU A 89 79.250 73.875 35.877 1.00 24.02 C ATOM 147 CD2 LEU A 89 80.539 72.457 37.464 1.00 25.36 C ATOM 148 HA LEU A 89 81.731 70.515 36.107 1.00 0.00 H ATOM 149 HB2 LEU A 89 81.064 72.665 34.092 1.00 0.00 H ATOM 150 HB3 LEU A 89 79.891 71.547 34.825 1.00 0.00 H ATOM 151 HG LEU A 89 81.396 73.805 36.095 1.00 0.00 H ATOM 152 HD21 LEU A 89 79.747 71.708 37.494 1.00 0.00 H ATOM 153 HD22 LEU A 89 81.500 71.979 37.653 1.00 0.00 H ATOM 154 HD23 LEU A 89 80.353 73.215 38.225 1.00 0.00 H ATOM 155 HD11 LEU A 89 79.313 74.415 34.932 1.00 0.00 H ATOM 156 HD12 LEU A 89 78.418 73.172 35.841 1.00 0.00 H ATOM 157 HD13 LEU A 89 79.095 74.582 36.692 1.00 0.00 H ATOM 158 H LEU A 89 83.342 72.713 35.210 1.00 0.00 H ATOM 159 N ARG A 90 82.563 70.410 32.905 1.00 24.95 N ATOM 160 CA ARG A 90 82.654 69.491 31.770 1.00 24.34 C ATOM 161 C ARG A 90 83.408 68.215 32.171 1.00 25.33 C ATOM 162 O ARG A 90 82.993 67.111 31.824 1.00 26.55 O ATOM 163 CB ARG A 90 83.312 70.164 30.555 1.00 24.44 C ATOM 164 CG ARG A 90 82.472 71.293 29.954 1.00 23.18 C ATOM 165 CD ARG A 90 82.913 71.672 28.535 1.00 25.72 C ATOM 166 NE ARG A 90 84.307 72.116 28.465 1.00 25.57 N ATOM 167 CZ ARG A 90 84.740 73.358 28.694 1.00 26.03 C ATOM 168 NH1 ARG A 90 83.907 74.339 29.013 1.00 26.49 N ATOM 169 NH2 ARG A 90 86.036 73.631 28.608 1.00 25.97 N ATOM 170 HA ARG A 90 81.641 69.213 31.479 1.00 0.00 H ATOM 171 HB2 ARG A 90 84.272 70.576 30.866 1.00 0.00 H ATOM 172 HB3 ARG A 90 83.474 69.408 29.787 1.00 0.00 H ATOM 173 HG2 ARG A 90 81.431 70.973 29.921 1.00 0.00 H ATOM 174 HG3 ARG A 90 82.561 72.172 30.593 1.00 0.00 H ATOM 175 HD2 ARG A 90 82.273 72.479 28.177 1.00 0.00 H ATOM 176 HD3 ARG A 90 82.793 70.801 27.890 1.00 0.00 H ATOM 177 HE ARG A 90 85.021 71.402 28.215 1.00 0.00 H ATOM 178 HH12 ARG A 90 84.273 75.297 29.186 1.00 0.00 H ATOM 179 HH11 ARG A 90 82.887 74.151 29.090 1.00 0.00 H ATOM 180 HH22 ARG A 90 86.377 74.597 28.786 1.00 0.00 H ATOM 181 HH21 ARG A 90 86.711 72.879 28.363 1.00 0.00 H ATOM 182 H ARG A 90 82.994 71.354 32.839 1.00 0.00 H ATOM 183 N LEU A 91 84.495 68.361 32.919 1.00 23.90 N ATOM 184 CA LEU A 91 85.272 67.195 33.336 1.00 23.72 C ATOM 185 C LEU A 91 84.447 66.284 34.245 1.00 24.19 C ATOM 186 O LEU A 91 84.482 65.057 34.104 1.00 24.89 O ATOM 187 CB LEU A 91 86.569 67.622 34.027 1.00 23.71 C ATOM 188 CG LEU A 91 87.539 66.500 34.404 1.00 25.58 C ATOM 189 CD1 LEU A 91 87.844 65.599 33.205 1.00 26.35 C ATOM 190 CD2 LEU A 91 88.812 67.110 34.977 1.00 26.22 C ATOM 191 HA LEU A 91 85.535 66.630 32.442 1.00 0.00 H ATOM 192 HB2 LEU A 91 87.093 68.303 33.357 1.00 0.00 H ATOM 193 HB3 LEU A 91 86.300 68.150 34.942 1.00 0.00 H ATOM 194 HG LEU A 91 87.074 65.869 35.161 1.00 0.00 H ATOM 195 HD21 LEU A 91 89.272 67.756 34.230 1.00 0.00 H ATOM 196 HD22 LEU A 91 88.566 67.695 35.863 1.00 0.00 H ATOM 197 HD23 LEU A 91 89.506 66.314 35.247 1.00 0.00 H ATOM 198 HD11 LEU A 91 86.918 65.150 32.845 1.00 0.00 H ATOM 199 HD12 LEU A 91 88.294 66.194 32.410 1.00 0.00 H ATOM 200 HD13 LEU A 91 88.536 64.813 33.509 1.00 0.00 H ATOM 201 H LEU A 91 84.796 69.313 33.211 1.00 0.00 H ATOM 202 N ALA A 92 83.696 66.886 35.166 1.00 23.73 N ATOM 203 CA ALA A 92 82.854 66.125 36.088 1.00 24.01 C ATOM 204 C ALA A 92 81.819 65.274 35.346 1.00 24.65 C ATOM 205 O ALA A 92 81.432 64.207 35.832 1.00 24.39 O ATOM 206 CB ALA A 92 82.163 67.062 37.072 1.00 24.66 C ATOM 207 HA ALA A 92 83.503 65.445 36.639 1.00 0.00 H ATOM 208 HB1 ALA A 92 82.915 67.606 37.643 1.00 0.00 H ATOM 209 HB2 ALA A 92 81.541 67.769 36.523 1.00 0.00 H ATOM 210 HB3 ALA A 92 81.540 66.479 37.751 1.00 0.00 H ATOM 211 H ALA A 92 83.709 67.924 35.231 1.00 0.00 H ATOM 212 N SER A 93 81.393 65.733 34.170 1.00 24.29 N ATOM 213 CA SER A 93 80.366 65.042 33.387 1.00 23.46 C ATOM 214 C SER A 93 80.844 63.685 32.861 1.00 23.72 C ATOM 215 O SER A 93 80.019 62.840 32.516 1.00 24.86 O ATOM 216 CB SER A 93 79.890 65.912 32.212 1.00 25.88 C ATOM 217 OG SER A 93 80.809 65.875 31.130 1.00 25.64 O ATOM 218 HA SER A 93 79.532 64.862 34.066 1.00 0.00 H ATOM 219 HB2 SER A 93 79.786 66.942 32.553 1.00 0.00 H ATOM 220 HB3 SER A 93 78.923 65.545 31.868 1.00 0.00 H ATOM 221 HG SER A 93 81.689 66.213 31.434 1.00 0.00 H ATOM 222 H SER A 93 81.804 66.612 33.795 1.00 0.00 H ATOM 223 N PHE A 94 82.163 63.482 32.812 1.00 24.30 N ATOM 224 CA PHE A 94 82.759 62.238 32.299 1.00 23.77 C ATOM 225 C PHE A 94 82.934 61.132 33.356 1.00 23.34 C ATOM 226 O PHE A 94 83.690 60.176 33.145 1.00 23.91 O ATOM 227 CB PHE A 94 84.109 62.544 31.631 1.00 24.50 C ATOM 228 CG PHE A 94 83.982 63.261 30.323 1.00 25.15 C ATOM 229 CD1 PHE A 94 83.731 62.556 29.153 1.00 24.81 C ATOM 230 CD2 PHE A 94 84.071 64.641 30.266 1.00 24.78 C ATOM 231 CE1 PHE A 94 83.588 63.219 27.941 1.00 25.70 C ATOM 232 CE2 PHE A 94 83.928 65.312 29.062 1.00 25.55 C ATOM 233 CZ PHE A 94 83.685 64.598 27.896 1.00 25.85 C ATOM 234 HA PHE A 94 82.049 61.843 31.572 1.00 0.00 H ATOM 235 HB2 PHE A 94 84.696 63.164 32.308 1.00 0.00 H ATOM 236 HB3 PHE A 94 84.630 61.602 31.459 1.00 0.00 H ATOM 237 HD2 PHE A 94 84.256 65.207 31.179 1.00 0.00 H ATOM 238 HE2 PHE A 94 84.006 66.399 29.030 1.00 0.00 H ATOM 239 HZ PHE A 94 83.571 65.123 26.948 1.00 0.00 H ATOM 240 HE1 PHE A 94 83.400 62.654 27.028 1.00 0.00 H ATOM 241 HD1 PHE A 94 83.645 61.470 29.186 1.00 0.00 H ATOM 242 H PHE A 94 82.796 64.235 33.151 1.00 0.00 H ATOM 243 N TYR A 95 82.227 61.226 34.481 1.00 23.33 N ATOM 244 CA TYR A 95 82.430 60.258 35.567 1.00 23.80 C ATOM 245 C TYR A 95 82.186 58.812 35.140 1.00 24.40 C ATOM 246 O TYR A 95 82.818 57.911 35.676 1.00 25.27 O ATOM 247 CB TYR A 95 81.596 60.604 36.805 1.00 25.67 C ATOM 248 CG TYR A 95 80.105 60.392 36.671 1.00 24.67 C ATOM 249 CD1 TYR A 95 79.536 59.145 36.913 1.00 25.03 C ATOM 250 CD2 TYR A 95 79.262 61.445 36.336 1.00 25.76 C ATOM 251 CE1 TYR A 95 78.169 58.948 36.800 1.00 25.73 C ATOM 252 CE2 TYR A 95 77.888 61.258 36.228 1.00 27.01 C ATOM 253 CZ TYR A 95 77.353 60.010 36.454 1.00 26.07 C ATOM 254 OH TYR A 95 75.987 59.820 36.353 1.00 29.27 O ATOM 255 HA TYR A 95 83.485 60.336 35.831 1.00 0.00 H ATOM 256 HB3 TYR A 95 81.765 61.655 37.040 1.00 0.00 H ATOM 257 HB2 TYR A 95 81.950 59.986 37.631 1.00 0.00 H ATOM 258 HD2 TYR A 95 79.684 62.433 36.155 1.00 0.00 H ATOM 259 HE2 TYR A 95 77.239 62.094 35.966 1.00 0.00 H ATOM 260 HE1 TYR A 95 77.740 57.963 36.983 1.00 0.00 H ATOM 261 HD1 TYR A 95 80.176 58.310 37.196 1.00 0.00 H ATOM 262 HH TYR A 95 75.772 58.873 36.545 1.00 0.00 H ATOM 263 H TYR A 95 81.528 61.988 34.591 1.00 0.00 H ATOM 264 N ASP A 96 81.286 58.601 34.179 1.00 24.42 N ATOM 265 CA ASP A 96 80.981 57.258 33.677 1.00 25.19 C ATOM 266 C ASP A 96 81.360 57.099 32.199 1.00 25.81 C ATOM 267 O ASP A 96 80.750 56.308 31.472 1.00 26.15 O ATOM 268 CB ASP A 96 79.496 56.940 33.890 1.00 28.93 C ATOM 269 CG ASP A 96 79.208 55.443 33.939 1.00 31.84 C ATOM 270 OD1 ASP A 96 80.081 54.658 34.379 1.00 32.94 O ATOM 271 OD2 ASP A 96 78.088 55.049 33.540 1.00 38.67 O ATOM 272 HA ASP A 96 81.584 56.548 34.243 1.00 0.00 H ATOM 273 HB2 ASP A 96 79.176 57.386 34.832 1.00 0.00 H ATOM 274 HB3 ASP A 96 78.926 57.377 33.070 1.00 0.00 H ATOM 275 H ASP A 96 80.784 59.416 33.772 1.00 0.00 H ATOM 276 N TRP A 97 82.381 57.837 31.771 1.00 24.59 N ATOM 277 CA TRP A 97 82.915 57.731 30.410 1.00 24.62 C ATOM 278 C TRP A 97 83.445 56.314 30.171 1.00 22.91 C ATOM 279 O TRP A 97 84.198 55.790 30.995 1.00 22.79 O ATOM 280 CB TRP A 97 84.030 58.768 30.225 1.00 24.54 C ATOM 281 CG TRP A 97 84.700 58.818 28.866 1.00 24.58 C ATOM 282 CD1 TRP A 97 86.010 58.540 28.597 1.00 25.67 C ATOM 283 CD2 TRP A 97 84.114 59.213 27.614 1.00 24.31 C ATOM 284 NE1 TRP A 97 86.275 58.720 27.261 1.00 25.51 N ATOM 285 CE2 TRP A 97 85.128 59.125 26.632 1.00 25.47 C ATOM 286 CE3 TRP A 97 82.831 59.611 27.224 1.00 24.63 C ATOM 287 CZ2 TRP A 97 84.899 59.431 25.292 1.00 25.71 C ATOM 288 CZ3 TRP A 97 82.603 59.915 25.892 1.00 24.97 C ATOM 289 CH2 TRP A 97 83.635 59.819 24.939 1.00 25.55 C ATOM 290 HA TRP A 97 82.126 57.928 29.684 1.00 0.00 H ATOM 291 HB2 TRP A 97 83.601 59.751 30.418 1.00 0.00 H ATOM 292 HB3 TRP A 97 84.802 58.558 30.966 1.00 0.00 H ATOM 293 HE1 TRP A 97 87.197 58.573 26.802 1.00 0.00 H ATOM 294 HD1 TRP A 97 86.742 58.220 29.338 1.00 0.00 H ATOM 295 HZ2 TRP A 97 85.697 59.364 24.552 1.00 0.00 H ATOM 296 HH2 TRP A 97 83.423 60.059 23.897 1.00 0.00 H ATOM 297 HZ3 TRP A 97 81.609 60.233 25.577 1.00 0.00 H ATOM 298 HE3 TRP A 97 82.025 59.681 27.955 1.00 0.00 H ATOM 299 H TRP A 97 82.817 58.515 32.428 1.00 0.00 H ATOM 300 N PRO A 98 83.033 55.673 29.057 1.00 22.56 N ATOM 301 CA PRO A 98 83.441 54.297 28.758 1.00 23.30 C ATOM 302 C PRO A 98 84.809 54.095 28.094 1.00 22.24 C ATOM 303 O PRO A 98 85.220 52.941 27.914 1.00 23.78 O ATOM 304 CB PRO A 98 82.348 53.832 27.792 1.00 23.69 C ATOM 305 CG PRO A 98 81.989 55.053 27.050 1.00 23.30 C ATOM 306 CD PRO A 98 82.099 56.190 28.035 1.00 24.14 C ATOM 307 HA PRO A 98 83.550 53.749 29.694 1.00 0.00 H ATOM 308 HD3 PRO A 98 82.501 57.083 27.556 1.00 0.00 H ATOM 309 HD2 PRO A 98 81.129 56.420 28.475 1.00 0.00 H ATOM 310 HG3 PRO A 98 80.970 54.979 26.670 1.00 0.00 H ATOM 311 HG2 PRO A 98 82.676 55.206 26.218 1.00 0.00 H ATOM 312 HB2 PRO A 98 82.727 53.065 27.117 1.00 0.00 H ATOM 313 HB3 PRO A 98 81.488 53.442 28.337 1.00 0.00 H ATOM 314 N LEU A 99 85.505 55.178 27.751 1.00 23.15 N ATOM 315 CA LEU A 99 86.738 55.094 26.956 1.00 23.89 C ATOM 316 C LEU A 99 87.898 55.880 27.578 1.00 24.53 C ATOM 317 O LEU A 99 88.632 56.577 26.879 1.00 23.29 O ATOM 318 CB LEU A 99 86.473 55.597 25.530 1.00 24.62 C ATOM 319 CG LEU A 99 85.483 54.799 24.680 1.00 26.11 C ATOM 320 CD1 LEU A 99 85.174 55.567 23.396 1.00 27.65 C ATOM 321 CD2 LEU A 99 86.023 53.423 24.363 1.00 27.29 C ATOM 322 HA LEU A 99 87.036 54.046 26.935 1.00 0.00 H ATOM 323 HB2 LEU A 99 86.093 56.616 25.607 1.00 0.00 H ATOM 324 HB3 LEU A 99 87.427 55.605 25.002 1.00 0.00 H ATOM 325 HG LEU A 99 84.562 54.668 25.248 1.00 0.00 H ATOM 326 HD21 LEU A 99 86.958 53.519 23.812 1.00 0.00 H ATOM 327 HD22 LEU A 99 86.202 52.881 25.292 1.00 0.00 H ATOM 328 HD23 LEU A 99 85.297 52.880 23.758 1.00 0.00 H ATOM 329 HD11 LEU A 99 84.738 56.534 23.648 1.00 0.00 H ATOM 330 HD12 LEU A 99 86.095 55.718 22.834 1.00 0.00 H ATOM 331 HD13 LEU A 99 84.468 54.995 22.793 1.00 0.00 H ATOM 332 H LEU A 99 85.165 56.112 28.056 1.00 0.00 H ATOM 333 N THR A 100 88.089 55.735 28.887 1.00 25.05 N ATOM 334 CA THR A 100 89.080 56.550 29.603 1.00 26.62 C ATOM 335 C THR A 100 90.496 56.402 29.045 1.00 24.25 C ATOM 336 O THR A 100 91.170 57.404 28.808 1.00 25.22 O ATOM 337 CB THR A 100 89.074 56.254 31.113 1.00 32.21 C ATOM 338 OG1 THR A 100 87.847 56.739 31.672 1.00 35.51 O ATOM 339 CG2 THR A 100 90.245 56.953 31.807 1.00 32.60 C ATOM 340 HA THR A 100 88.776 57.585 29.445 1.00 0.00 H ATOM 341 HB THR A 100 89.169 55.179 31.263 1.00 0.00 H ATOM 342 HG1 THR A 100 87.084 56.282 31.236 1.00 0.00 H ATOM 343 HG23 THR A 100 91.183 56.590 31.388 1.00 0.00 H ATOM 344 HG21 THR A 100 90.168 58.029 31.651 1.00 0.00 H ATOM 345 HG22 THR A 100 90.215 56.736 32.875 1.00 0.00 H ATOM 346 H THR A 100 87.528 55.034 29.411 1.00 0.00 H ATOM 347 N ALA A 101 90.930 55.165 28.815 1.00 23.86 N ATOM 348 CA ALA A 101 92.276 54.913 28.279 1.00 25.48 C ATOM 349 C ALA A 101 92.408 55.368 26.823 1.00 27.86 C ATOM 350 O ALA A 101 93.456 55.869 26.414 1.00 30.71 O ATOM 351 CB ALA A 101 92.640 53.430 28.415 1.00 25.75 C ATOM 352 HA ALA A 101 92.977 55.504 28.869 1.00 0.00 H ATOM 353 HB1 ALA A 101 92.619 53.147 29.467 1.00 0.00 H ATOM 354 HB2 ALA A 101 91.920 52.828 27.861 1.00 0.00 H ATOM 355 HB3 ALA A 101 93.639 53.264 28.013 1.00 0.00 H ATOM 356 H ALA A 101 90.304 54.360 29.019 1.00 0.00 H ATOM 357 N GLU A 102 91.331 55.216 26.058 1.00 24.73 N ATOM 358 CA GLU A 102 91.349 55.457 24.615 1.00 25.58 C ATOM 359 C GLU A 102 91.290 56.937 24.253 1.00 24.91 C ATOM 360 O GLU A 102 91.982 57.386 23.342 1.00 24.56 O ATOM 361 CB GLU A 102 90.185 54.713 23.949 1.00 26.53 C ATOM 362 CG GLU A 102 90.282 53.186 24.034 1.00 27.15 C ATOM 363 CD GLU A 102 89.733 52.583 25.328 1.00 28.73 C ATOM 364 OE1 GLU A 102 89.742 51.342 25.444 1.00 32.48 O ATOM 365 OE2 GLU A 102 89.295 53.323 26.229 1.00 25.86 O ATOM 366 HA GLU A 102 92.302 55.079 24.245 1.00 0.00 H ATOM 367 HB2 GLU A 102 89.259 55.024 24.433 1.00 0.00 H ATOM 368 HB3 GLU A 102 90.156 54.996 22.897 1.00 0.00 H ATOM 369 HG2 GLU A 102 89.725 52.763 23.198 1.00 0.00 H ATOM 370 HG3 GLU A 102 91.332 52.907 23.947 1.00 0.00 H ATOM 371 H GLU A 102 90.441 54.914 26.503 1.00 0.00 H ATOM 372 N VAL A 103 90.451 57.689 24.964 1.00 25.06 N ATOM 373 CA VAL A 103 90.304 59.128 24.746 1.00 24.65 C ATOM 374 C VAL A 103 90.101 59.791 26.115 1.00 25.22 C ATOM 375 O VAL A 103 89.016 59.708 26.689 1.00 26.69 O ATOM 376 CB VAL A 103 89.105 59.464 23.823 1.00 27.17 C ATOM 377 CG1 VAL A 103 89.070 60.961 23.521 1.00 27.68 C ATOM 378 CG2 VAL A 103 89.156 58.659 22.526 1.00 26.42 C ATOM 379 HA VAL A 103 91.200 59.501 24.250 1.00 0.00 H ATOM 380 HB VAL A 103 88.191 59.189 24.349 1.00 0.00 H ATOM 381 HG11 VAL A 103 88.968 61.516 24.453 1.00 0.00 H ATOM 382 HG12 VAL A 103 89.995 61.252 23.023 1.00 0.00 H ATOM 383 HG13 VAL A 103 88.222 61.180 22.872 1.00 0.00 H ATOM 384 HG21 VAL A 103 90.078 58.889 21.993 1.00 0.00 H ATOM 385 HG22 VAL A 103 89.126 57.595 22.759 1.00 0.00 H ATOM 386 HG23 VAL A 103 88.300 58.920 21.904 1.00 0.00 H ATOM 387 H VAL A 103 89.878 57.235 25.703 1.00 0.00 H ATOM 388 N PRO A 104 91.152 60.423 26.666 1.00 26.03 N ATOM 389 CA PRO A 104 91.064 60.965 28.032 1.00 25.24 C ATOM 390 C PRO A 104 89.995 62.039 28.244 1.00 25.45 C ATOM 391 O PRO A 104 89.924 62.999 27.476 1.00 25.06 O ATOM 392 CB PRO A 104 92.456 61.574 28.268 1.00 26.30 C ATOM 393 CG PRO A 104 93.333 60.962 27.255 1.00 27.86 C ATOM 394 CD PRO A 104 92.483 60.638 26.074 1.00 26.05 C ATOM 395 HA PRO A 104 90.775 60.173 28.722 1.00 0.00 H ATOM 396 HD3 PRO A 104 92.467 61.466 25.365 1.00 0.00 H ATOM 397 HD2 PRO A 104 92.838 59.738 25.572 1.00 0.00 H ATOM 398 HG3 PRO A 104 93.784 60.052 27.652 1.00 0.00 H ATOM 399 HG2 PRO A 104 94.119 61.661 26.969 1.00 0.00 H ATOM 400 HB2 PRO A 104 92.425 62.656 28.141 1.00 0.00 H ATOM 401 HB3 PRO A 104 92.810 61.337 29.271 1.00 0.00 H ATOM 402 N PRO A 105 89.158 61.881 29.282 1.00 24.33 N ATOM 403 CA PRO A 105 88.234 62.954 29.669 1.00 25.15 C ATOM 404 C PRO A 105 88.885 64.332 29.842 1.00 24.32 C ATOM 405 O PRO A 105 88.276 65.343 29.497 1.00 25.69 O ATOM 406 CB PRO A 105 87.676 62.461 31.005 1.00 27.81 C ATOM 407 CG PRO A 105 87.718 60.985 30.890 1.00 27.80 C ATOM 408 CD PRO A 105 88.977 60.683 30.126 1.00 26.71 C ATOM 409 HA PRO A 105 87.491 63.121 28.889 1.00 0.00 H ATOM 410 HD3 PRO A 105 89.822 60.550 30.802 1.00 0.00 H ATOM 411 HD2 PRO A 105 88.858 59.789 29.515 1.00 0.00 H ATOM 412 HG3 PRO A 105 86.845 60.619 30.349 1.00 0.00 H ATOM 413 HG2 PRO A 105 87.751 60.525 31.878 1.00 0.00 H ATOM 414 HB2 PRO A 105 88.296 62.803 31.834 1.00 0.00 H ATOM 415 HB3 PRO A 105 86.653 62.809 31.150 1.00 0.00 H ATOM 416 N GLU A 106 90.101 64.364 30.378 1.00 24.70 N ATOM 417 CA GLU A 106 90.837 65.616 30.551 1.00 25.08 C ATOM 418 C GLU A 106 90.960 66.367 29.224 1.00 26.18 C ATOM 419 O GLU A 106 90.757 67.580 29.172 1.00 26.97 O ATOM 420 CB GLU A 106 92.227 65.353 31.132 1.00 26.19 C ATOM 421 CG GLU A 106 92.233 65.011 32.624 1.00 27.35 C ATOM 422 CD GLU A 106 91.856 63.567 32.941 1.00 30.35 C ATOM 423 OE1 GLU A 106 91.723 63.261 34.144 1.00 30.67 O ATOM 424 OE2 GLU A 106 91.706 62.737 32.014 1.00 26.94 O ATOM 425 HA GLU A 106 90.276 66.236 31.250 1.00 0.00 H ATOM 426 HB2 GLU A 106 92.672 64.519 30.589 1.00 0.00 H ATOM 427 HB3 GLU A 106 92.834 66.246 30.984 1.00 0.00 H ATOM 428 HG2 GLU A 106 93.235 65.195 33.012 1.00 0.00 H ATOM 429 HG3 GLU A 106 91.523 65.667 33.127 1.00 0.00 H ATOM 430 H GLU A 106 90.542 63.473 30.683 1.00 0.00 H ATOM 431 N LEU A 107 91.282 65.644 28.154 1.00 26.26 N ATOM 432 CA LEU A 107 91.438 66.268 26.839 1.00 26.29 C ATOM 433 C LEU A 107 90.084 66.654 26.247 1.00 25.45 C ATOM 434 O LEU A 107 89.949 67.719 25.642 1.00 26.38 O ATOM 435 CB LEU A 107 92.202 65.350 25.877 1.00 27.56 C ATOM 436 CG LEU A 107 93.670 65.086 26.229 1.00 30.41 C ATOM 437 CD1 LEU A 107 94.363 64.334 25.090 1.00 30.62 C ATOM 438 CD2 LEU A 107 94.403 66.388 26.535 1.00 33.87 C ATOM 439 HA LEU A 107 92.021 67.178 26.976 1.00 0.00 H ATOM 440 HB2 LEU A 107 91.687 64.390 25.851 1.00 0.00 H ATOM 441 HB3 LEU A 107 92.172 65.804 24.887 1.00 0.00 H ATOM 442 HG LEU A 107 93.698 64.466 27.125 1.00 0.00 H ATOM 443 HD21 LEU A 107 94.365 67.039 25.662 1.00 0.00 H ATOM 444 HD22 LEU A 107 93.924 66.883 27.380 1.00 0.00 H ATOM 445 HD23 LEU A 107 95.442 66.169 26.781 1.00 0.00 H ATOM 446 HD11 LEU A 107 93.859 63.381 24.926 1.00 0.00 H ATOM 447 HD12 LEU A 107 94.317 64.933 24.180 1.00 0.00 H ATOM 448 HD13 LEU A 107 95.405 64.154 25.356 1.00 0.00 H ATOM 449 H LEU A 107 91.425 64.619 28.254 1.00 0.00 H ATOM 450 N LEU A 108 89.087 65.787 26.411 1.00 25.07 N ATOM 451 CA LEU A 108 87.736 66.077 25.922 1.00 25.14 C ATOM 452 C LEU A 108 87.176 67.355 26.556 1.00 26.07 C ATOM 453 O LEU A 108 86.692 68.247 25.848 1.00 26.09 O ATOM 454 CB LEU A 108 86.802 64.891 26.189 1.00 26.40 C ATOM 455 CG LEU A 108 87.048 63.678 25.275 1.00 26.43 C ATOM 456 CD1 LEU A 108 86.624 62.381 25.952 1.00 26.63 C ATOM 457 CD2 LEU A 108 86.332 63.859 23.932 1.00 27.72 C ATOM 458 HA LEU A 108 87.798 66.238 24.846 1.00 0.00 H ATOM 459 HB2 LEU A 108 86.938 64.574 27.223 1.00 0.00 H ATOM 460 HB3 LEU A 108 85.775 65.225 26.045 1.00 0.00 H ATOM 461 HG LEU A 108 88.119 63.613 25.083 1.00 0.00 H ATOM 462 HD21 LEU A 108 85.260 63.960 24.104 1.00 0.00 H ATOM 463 HD22 LEU A 108 86.709 64.755 23.439 1.00 0.00 H ATOM 464 HD23 LEU A 108 86.520 62.990 23.302 1.00 0.00 H ATOM 465 HD11 LEU A 108 87.197 62.247 26.869 1.00 0.00 H ATOM 466 HD12 LEU A 108 85.561 62.427 26.190 1.00 0.00 H ATOM 467 HD13 LEU A 108 86.811 61.544 25.280 1.00 0.00 H ATOM 468 H LEU A 108 89.271 64.886 26.896 1.00 0.00 H ATOM 469 N ALA A 109 87.263 67.451 27.882 1.00 26.96 N ATOM 470 CA ALA A 109 86.761 68.630 28.605 1.00 24.71 C ATOM 471 C ALA A 109 87.527 69.893 28.220 1.00 24.17 C ATOM 472 O ALA A 109 86.922 70.945 28.015 1.00 25.33 O ATOM 473 CB ALA A 109 86.831 68.410 30.123 1.00 24.80 C ATOM 474 HA ALA A 109 85.719 68.767 28.318 1.00 0.00 H ATOM 475 HB1 ALA A 109 86.222 67.547 30.392 1.00 0.00 H ATOM 476 HB2 ALA A 109 87.866 68.232 30.416 1.00 0.00 H ATOM 477 HB3 ALA A 109 86.454 69.296 30.635 1.00 0.00 H ATOM 478 H ALA A 109 87.697 66.673 28.419 1.00 0.00 H ATOM 479 N ALA A 110 88.851 69.788 28.103 1.00 24.18 N ATOM 480 CA ALA A 110 89.678 70.933 27.697 1.00 25.01 C ATOM 481 C ALA A 110 89.274 71.464 26.320 1.00 26.77 C ATOM 482 O ALA A 110 89.334 72.676 26.071 1.00 27.47 O ATOM 483 CB ALA A 110 91.160 70.566 27.714 1.00 24.89 C ATOM 484 HA ALA A 110 89.508 71.729 28.422 1.00 0.00 H ATOM 485 HB1 ALA A 110 91.447 70.265 28.722 1.00 0.00 H ATOM 486 HB2 ALA A 110 91.337 69.742 27.023 1.00 0.00 H ATOM 487 HB3 ALA A 110 91.751 71.430 27.410 1.00 0.00 H ATOM 488 H ALA A 110 89.309 68.876 28.303 1.00 0.00 H ATOM 489 N ALA A 111 88.852 70.552 25.442 1.00 25.79 N ATOM 490 CA ALA A 111 88.446 70.886 24.077 1.00 25.85 C ATOM 491 C ALA A 111 86.990 71.348 23.953 1.00 27.63 C ATOM 492 O ALA A 111 86.490 71.507 22.838 1.00 26.54 O ATOM 493 CB ALA A 111 88.703 69.698 23.152 1.00 26.43 C ATOM 494 HA ALA A 111 89.056 71.739 23.779 1.00 0.00 H ATOM 495 HB1 ALA A 111 89.765 69.454 23.162 1.00 0.00 H ATOM 496 HB2 ALA A 111 88.129 68.839 23.498 1.00 0.00 H ATOM 497 HB3 ALA A 111 88.398 69.956 22.138 1.00 0.00 H ATOM 498 H ALA A 111 88.810 69.557 25.742 1.00 0.00 H ATOM 499 N GLY A 112 86.319 71.565 25.086 1.00 26.61 N ATOM 500 CA GLY A 112 84.974 72.143 25.109 1.00 25.67 C ATOM 501 C GLY A 112 83.830 71.149 25.239 1.00 25.06 C ATOM 502 O GLY A 112 82.662 71.548 25.317 1.00 25.10 O ATOM 503 HA3 GLY A 112 84.832 72.698 24.182 1.00 0.00 H ATOM 504 HA2 GLY A 112 84.919 72.830 25.954 1.00 0.00 H ATOM 505 H GLY A 112 86.770 71.313 25.989 1.00 0.00 H ATOM 506 N PHE A 113 84.159 69.861 25.290 1.00 25.39 N ATOM 507 CA PHE A 113 83.154 68.800 25.256 1.00 25.05 C ATOM 508 C PHE A 113 82.706 68.350 26.641 1.00 25.63 C ATOM 509 O PHE A 113 83.511 68.281 27.569 1.00 25.70 O ATOM 510 CB PHE A 113 83.683 67.577 24.490 1.00 25.58 C ATOM 511 CG PHE A 113 84.014 67.858 23.044 1.00 25.84 C ATOM 512 CD1 PHE A 113 83.002 68.112 22.126 1.00 25.33 C ATOM 513 CD2 PHE A 113 85.327 67.863 22.601 1.00 26.19 C ATOM 514 CE1 PHE A 113 83.291 68.378 20.799 1.00 25.39 C ATOM 515 CE2 PHE A 113 85.627 68.125 21.264 1.00 26.24 C ATOM 516 CZ PHE A 113 84.603 68.380 20.364 1.00 26.09 C ATOM 517 HA PHE A 113 82.290 69.228 24.748 1.00 0.00 H ATOM 518 HB2 PHE A 113 84.587 67.225 24.987 1.00 0.00 H ATOM 519 HB3 PHE A 113 82.924 66.796 24.523 1.00 0.00 H ATOM 520 HD2 PHE A 113 86.134 67.660 23.305 1.00 0.00 H ATOM 521 HE2 PHE A 113 86.664 68.129 20.927 1.00 0.00 H ATOM 522 HZ PHE A 113 84.832 68.581 19.318 1.00 0.00 H ATOM 523 HE1 PHE A 113 82.484 68.586 20.097 1.00 0.00 H ATOM 524 HD1 PHE A 113 81.963 68.102 22.457 1.00 0.00 H ATOM 525 H PHE A 113 85.164 69.601 25.356 1.00 0.00 H ATOM 526 N PHE A 114 81.418 68.038 26.764 1.00 27.48 N ATOM 527 CA PHE A 114 80.886 67.339 27.936 1.00 25.89 C ATOM 528 C PHE A 114 80.260 66.025 27.479 1.00 26.44 C ATOM 529 O PHE A 114 79.854 65.899 26.323 1.00 26.82 O ATOM 530 CB PHE A 114 79.865 68.193 28.703 1.00 26.36 C ATOM 531 CG PHE A 114 78.653 68.600 27.893 1.00 25.62 C ATOM 532 CD1 PHE A 114 77.535 67.779 27.820 1.00 23.91 C ATOM 533 CD2 PHE A 114 78.627 69.816 27.223 1.00 26.26 C ATOM 534 CE1 PHE A 114 76.421 68.150 27.083 1.00 25.26 C ATOM 535 CE2 PHE A 114 77.508 70.197 26.482 1.00 26.22 C ATOM 536 CZ PHE A 114 76.404 69.361 26.412 1.00 27.30 C ATOM 537 HA PHE A 114 81.705 67.141 28.627 1.00 0.00 H ATOM 538 HB2 PHE A 114 79.522 67.622 29.566 1.00 0.00 H ATOM 539 HB3 PHE A 114 80.366 69.099 29.045 1.00 0.00 H ATOM 540 HD2 PHE A 114 79.490 70.480 27.277 1.00 0.00 H ATOM 541 HE2 PHE A 114 77.502 71.153 25.958 1.00 0.00 H ATOM 542 HZ PHE A 114 75.529 69.655 25.833 1.00 0.00 H ATOM 543 HE1 PHE A 114 75.557 67.487 27.032 1.00 0.00 H ATOM 544 HD1 PHE A 114 77.534 66.827 28.351 1.00 0.00 H ATOM 545 H PHE A 114 80.764 68.301 25.999 1.00 0.00 H ATOM 546 N HIS A 115 80.197 65.056 28.390 1.00 25.40 N ATOM 547 CA HIS A 115 79.568 63.763 28.121 1.00 24.64 C ATOM 548 C HIS A 115 78.049 63.862 28.254 1.00 25.78 C ATOM 549 O HIS A 115 77.536 64.314 29.286 1.00 25.17 O ATOM 550 CB HIS A 115 80.097 62.715 29.111 1.00 24.86 C ATOM 551 CG HIS A 115 79.748 61.302 28.757 1.00 25.70 C ATOM 552 ND1 HIS A 115 79.688 60.294 29.696 1.00 25.23 N ATOM 553 CD2 HIS A 115 79.450 60.724 27.569 1.00 24.27 C ATOM 554 CE1 HIS A 115 79.371 59.158 29.101 1.00 26.23 C ATOM 555 NE2 HIS A 115 79.213 59.394 27.811 1.00 24.73 N ATOM 556 HA HIS A 115 79.813 63.466 27.101 1.00 0.00 H ATOM 557 HB2 HIS A 115 81.183 62.799 29.150 1.00 0.00 H ATOM 558 HB3 HIS A 115 79.681 62.934 30.095 1.00 0.00 H ATOM 559 HD2 HIS A 115 79.406 61.222 26.601 1.00 0.00 H ATOM 560 HE1 HIS A 115 79.259 58.191 29.591 1.00 0.00 H ATOM 561 H HIS A 115 80.611 65.225 29.329 1.00 0.00 H ATOM 562 N THR A 116 77.320 63.413 27.236 1.00 25.94 N ATOM 563 CA THR A 116 75.853 63.403 27.316 1.00 25.75 C ATOM 564 C THR A 116 75.334 62.352 28.302 1.00 28.26 C ATOM 565 O THR A 116 74.214 62.468 28.809 1.00 30.14 O ATOM 566 CB THR A 116 75.190 63.149 25.947 1.00 26.94 C ATOM 567 OG1 THR A 116 75.497 61.821 25.499 1.00 28.76 O ATOM 568 CG2 THR A 116 75.646 64.178 24.924 1.00 26.61 C ATOM 569 HA THR A 116 75.582 64.398 27.668 1.00 0.00 H ATOM 570 HB THR A 116 74.110 63.246 26.058 1.00 0.00 H ATOM 571 HG1 THR A 116 76.478 61.722 25.412 1.00 0.00 H ATOM 572 HG23 THR A 116 75.404 65.178 25.284 1.00 0.00 H ATOM 573 HG21 THR A 116 76.723 64.093 24.781 1.00 0.00 H ATOM 574 HG22 THR A 116 75.137 63.998 23.977 1.00 0.00 H ATOM 575 H THR A 116 77.792 63.066 26.377 1.00 0.00 H ATOM 576 N GLY A 117 76.147 61.331 28.566 1.00 26.78 N ATOM 577 CA GLY A 117 75.764 60.228 29.439 1.00 27.65 C ATOM 578 C GLY A 117 75.299 59.008 28.663 1.00 30.00 C ATOM 579 O GLY A 117 75.097 57.944 29.248 1.00 31.95 O ATOM 580 HA3 GLY A 117 74.953 60.560 30.088 1.00 0.00 H ATOM 581 HA2 GLY A 117 76.624 59.949 30.048 1.00 0.00 H ATOM 582 H GLY A 117 77.092 61.320 28.132 1.00 0.00 H ATOM 583 N HIS A 118 75.128 59.162 27.349 1.00 28.83 N ATOM 584 CA HIS A 118 74.707 58.064 26.478 1.00 31.24 C ATOM 585 C HIS A 118 75.860 57.613 25.589 1.00 28.28 C ATOM 586 O HIS A 118 76.442 58.418 24.850 1.00 27.52 O ATOM 587 CB HIS A 118 73.519 58.490 25.617 1.00 34.68 C ATOM 588 CG HIS A 118 72.247 58.663 26.388 1.00 37.60 C ATOM 589 ND1 HIS A 118 71.254 59.537 26.000 1.00 38.27 N ATOM 590 CD2 HIS A 118 71.808 58.077 27.527 1.00 39.52 C ATOM 591 CE1 HIS A 118 70.255 59.475 26.862 1.00 39.23 C ATOM 592 NE2 HIS A 118 70.568 58.599 27.800 1.00 38.83 N ATOM 593 HA HIS A 118 74.403 57.228 27.107 1.00 0.00 H ATOM 594 HB2 HIS A 118 73.763 59.438 25.138 1.00 0.00 H ATOM 595 HB3 HIS A 118 73.358 57.730 24.853 1.00 0.00 H ATOM 596 HD2 HIS A 118 72.340 57.330 28.117 1.00 0.00 H ATOM 597 HE1 HIS A 118 69.330 60.049 26.808 1.00 0.00 H ATOM 598 H HIS A 118 75.300 60.097 26.928 1.00 0.00 H ATOM 599 N GLN A 119 76.194 56.327 25.681 1.00 28.31 N ATOM 600 CA GLN A 119 77.296 55.740 24.923 1.00 28.86 C ATOM 601 C GLN A 119 78.553 56.621 25.031 1.00 27.25 C ATOM 602 O GLN A 119 78.924 57.028 26.136 1.00 28.00 O ATOM 603 CB GLN A 119 76.862 55.493 23.471 1.00 30.78 C ATOM 604 CG GLN A 119 75.670 54.536 23.327 1.00 35.37 C ATOM 605 CD GLN A 119 74.317 55.220 23.481 1.00 40.22 C ATOM 606 OE1 GLN A 119 74.075 56.289 22.912 1.00 42.23 O ATOM 607 NE2 GLN A 119 73.422 54.594 24.240 1.00 42.49 N ATOM 608 HA GLN A 119 77.558 54.771 25.348 1.00 0.00 H ATOM 609 HB2 GLN A 119 76.588 56.450 23.028 1.00 0.00 H ATOM 610 HB3 GLN A 119 77.708 55.071 22.928 1.00 0.00 H ATOM 611 HG2 GLN A 119 75.714 54.076 22.340 1.00 0.00 H ATOM 612 HG3 GLN A 119 75.754 53.763 24.090 1.00 0.00 H ATOM 613 HE22 GLN A 119 73.669 53.695 24.701 1.00 0.00 H ATOM 614 HE21 GLN A 119 72.475 55.004 24.373 1.00 0.00 H ATOM 615 H GLN A 119 75.647 55.715 26.320 1.00 0.00 H ATOM 616 N ASP A 120 79.207 56.913 23.905 1.00 24.51 N ATOM 617 CA ASP A 120 80.370 57.800 23.891 1.00 25.18 C ATOM 618 C ASP A 120 80.049 59.153 23.245 1.00 25.58 C ATOM 619 O ASP A 120 80.935 59.822 22.707 1.00 24.34 O ATOM 620 CB ASP A 120 81.567 57.118 23.202 1.00 26.22 C ATOM 621 CG ASP A 120 81.348 56.867 21.712 1.00 25.17 C ATOM 622 OD1 ASP A 120 80.205 56.978 21.215 1.00 24.34 O ATOM 623 OD2 ASP A 120 82.344 56.535 21.032 1.00 26.31 O ATOM 624 HA ASP A 120 80.644 58.001 24.927 1.00 0.00 H ATOM 625 HB2 ASP A 120 82.443 57.756 23.320 1.00 0.00 H ATOM 626 HB3 ASP A 120 81.748 56.161 23.691 1.00 0.00 H ATOM 627 H ASP A 120 78.880 56.497 23.010 1.00 0.00 H ATOM 628 N LYS A 121 78.784 59.566 23.329 1.00 24.52 N ATOM 629 CA LYS A 121 78.340 60.817 22.720 1.00 25.40 C ATOM 630 C LYS A 121 78.750 62.005 23.586 1.00 24.75 C ATOM 631 O LYS A 121 78.467 62.033 24.785 1.00 26.49 O ATOM 632 CB LYS A 121 76.818 60.816 22.539 1.00 27.49 C ATOM 633 CG LYS A 121 76.289 59.798 21.535 1.00 28.73 C ATOM 634 CD LYS A 121 74.771 59.669 21.648 1.00 30.00 C ATOM 635 CE LYS A 121 74.161 58.958 20.451 1.00 32.69 C ATOM 636 NZ LYS A 121 74.621 57.551 20.334 1.00 36.97 N ATOM 637 HA LYS A 121 78.814 60.906 21.743 1.00 0.00 H ATOM 638 HB2 LYS A 121 76.362 60.605 23.507 1.00 0.00 H ATOM 639 HB3 LYS A 121 76.516 61.809 22.205 1.00 0.00 H ATOM 640 HG2 LYS A 121 76.547 60.122 20.527 1.00 0.00 H ATOM 641 HG3 LYS A 121 76.747 58.829 21.732 1.00 0.00 H ATOM 642 HD2 LYS A 121 74.533 59.105 22.550 1.00 0.00 H ATOM 643 HD3 LYS A 121 74.339 60.667 21.721 1.00 0.00 H ATOM 644 HE2 LYS A 121 74.441 59.495 19.545 1.00 0.00 H ATOM 645 HE3 LYS A 121 73.076 58.964 20.555 1.00 0.00 H ATOM 646 HZ1 LYS A 121 75.655 57.534 20.226 1.00 0.00 H ATOM 647 HZ2 LYS A 121 74.352 57.027 21.191 1.00 0.00 H ATOM 648 HZ3 LYS A 121 74.177 57.110 19.503 1.00 0.00 H ATOM 649 H LYS A 121 78.094 58.981 23.842 1.00 0.00 H ATOM 650 N VAL A 122 79.420 62.977 22.975 1.00 24.96 N ATOM 651 CA VAL A 122 79.797 64.215 23.647 1.00 25.91 C ATOM 652 C VAL A 122 79.296 65.404 22.838 1.00 26.49 C ATOM 653 O VAL A 122 78.939 65.265 21.667 1.00 25.66 O ATOM 654 CB VAL A 122 81.324 64.324 23.839 1.00 26.23 C ATOM 655 CG1 VAL A 122 81.870 63.067 24.519 1.00 25.02 C ATOM 656 CG2 VAL A 122 82.025 64.562 22.502 1.00 27.26 C ATOM 657 HA VAL A 122 79.339 64.212 24.636 1.00 0.00 H ATOM 658 HB VAL A 122 81.526 65.180 24.483 1.00 0.00 H ATOM 659 HG11 VAL A 122 81.398 62.949 25.494 1.00 0.00 H ATOM 660 HG12 VAL A 122 81.652 62.197 23.900 1.00 0.00 H ATOM 661 HG13 VAL A 122 82.948 63.163 24.646 1.00 0.00 H ATOM 662 HG21 VAL A 122 81.814 63.731 21.829 1.00 0.00 H ATOM 663 HG22 VAL A 122 81.659 65.489 22.061 1.00 0.00 H ATOM 664 HG23 VAL A 122 83.100 64.635 22.665 1.00 0.00 H ATOM 665 H VAL A 122 79.686 62.849 21.978 1.00 0.00 H ATOM 666 N ARG A 123 79.263 66.573 23.470 1.00 26.63 N ATOM 667 CA ARG A 123 78.819 67.789 22.806 1.00 25.65 C ATOM 668 C ARG A 123 79.637 68.991 23.265 1.00 24.82 C ATOM 669 O ARG A 123 80.011 69.079 24.433 1.00 25.88 O ATOM 670 CB ARG A 123 77.341 68.024 23.096 1.00 28.46 C ATOM 671 CG ARG A 123 76.678 68.947 22.114 1.00 28.27 C ATOM 672 CD ARG A 123 75.208 69.129 22.432 1.00 28.92 C ATOM 673 NE ARG A 123 74.417 67.914 22.250 1.00 28.41 N ATOM 674 CZ ARG A 123 73.951 67.478 21.082 1.00 29.57 C ATOM 675 NH1 ARG A 123 74.218 68.122 19.950 1.00 29.98 N ATOM 676 NH2 ARG A 123 73.224 66.374 21.040 1.00 32.39 N ATOM 677 HA ARG A 123 78.964 67.668 21.732 1.00 0.00 H ATOM 678 HB2 ARG A 123 76.827 67.063 23.069 1.00 0.00 H ATOM 679 HB3 ARG A 123 77.249 68.456 24.093 1.00 0.00 H ATOM 680 HG2 ARG A 123 77.172 69.918 22.150 1.00 0.00 H ATOM 681 HG3 ARG A 123 76.775 68.529 21.112 1.00 0.00 H ATOM 682 HD2 ARG A 123 74.807 69.903 21.778 1.00 0.00 H ATOM 683 HD3 ARG A 123 75.116 69.448 23.470 1.00 0.00 H ATOM 684 HE ARG A 123 74.202 67.348 23.096 1.00 0.00 H ATOM 685 HH12 ARG A 123 73.844 67.765 19.048 1.00 0.00 H ATOM 686 HH11 ARG A 123 74.801 68.983 19.967 1.00 0.00 H ATOM 687 HH22 ARG A 123 72.857 66.028 20.131 1.00 0.00 H ATOM 688 HH21 ARG A 123 73.020 65.852 21.916 1.00 0.00 H ATOM 689 H ARG A 123 79.562 66.620 24.465 1.00 0.00 H ATOM 690 N CYS A 124 79.908 69.913 22.343 1.00 25.43 N ATOM 691 CA CYS A 124 80.596 71.154 22.685 1.00 23.97 C ATOM 692 C CYS A 124 79.621 72.154 23.284 1.00 24.65 C ATOM 693 O CYS A 124 78.551 72.384 22.731 1.00 25.42 O ATOM 694 CB CYS A 124 81.250 71.758 21.448 1.00 26.48 C ATOM 695 SG CYS A 124 81.956 73.394 21.695 1.00 26.13 S ATOM 696 HA CYS A 124 81.367 70.924 23.420 1.00 0.00 H ATOM 697 HB2 CYS A 124 80.495 71.828 20.664 1.00 0.00 H ATOM 698 HB3 CYS A 124 82.047 71.089 21.124 1.00 0.00 H ATOM 699 HG CYS A 124 82.516 73.835 20.513 1.00 0.00 H ATOM 700 H CYS A 124 79.623 69.745 21.357 1.00 0.00 H ATOM 701 N PHE A 125 79.994 72.759 24.407 1.00 25.56 N ATOM 702 CA PHE A 125 79.105 73.707 25.088 1.00 24.64 C ATOM 703 C PHE A 125 78.851 74.968 24.261 1.00 23.89 C ATOM 704 O PHE A 125 77.816 75.625 24.432 1.00 24.04 O ATOM 705 CB PHE A 125 79.677 74.107 26.453 1.00 25.21 C ATOM 706 CG PHE A 125 80.716 75.198 26.381 1.00 24.82 C ATOM 707 CD1 PHE A 125 82.039 74.900 26.094 1.00 24.33 C ATOM 708 CD2 PHE A 125 80.364 76.526 26.592 1.00 25.99 C ATOM 709 CE1 PHE A 125 82.999 75.906 26.026 1.00 24.54 C ATOM 710 CE2 PHE A 125 81.318 77.540 26.515 1.00 26.36 C ATOM 711 CZ PHE A 125 82.640 77.223 26.240 1.00 24.81 C ATOM 712 HA PHE A 125 78.153 73.193 25.222 1.00 0.00 H ATOM 713 HB2 PHE A 125 78.857 74.454 27.081 1.00 0.00 H ATOM 714 HB3 PHE A 125 80.133 73.227 26.906 1.00 0.00 H ATOM 715 HD2 PHE A 125 79.328 76.778 26.821 1.00 0.00 H ATOM 716 HE2 PHE A 125 81.026 78.579 26.670 1.00 0.00 H ATOM 717 HZ PHE A 125 83.393 78.010 26.193 1.00 0.00 H ATOM 718 HE1 PHE A 125 84.036 75.654 25.803 1.00 0.00 H ATOM 719 HD1 PHE A 125 82.332 73.865 25.919 1.00 0.00 H ATOM 720 H PHE A 125 80.931 72.557 24.810 1.00 0.00 H ATOM 721 N PHE A 126 79.793 75.319 23.382 1.00 25.08 N ATOM 722 CA PHE A 126 79.716 76.580 22.654 1.00 24.53 C ATOM 723 C PHE A 126 78.955 76.474 21.333 1.00 24.11 C ATOM 724 O PHE A 126 78.001 77.234 21.103 1.00 24.16 O ATOM 725 CB PHE A 126 81.107 77.172 22.405 1.00 25.57 C ATOM 726 CG PHE A 126 81.065 78.634 22.093 1.00 24.80 C ATOM 727 CD1 PHE A 126 80.695 79.073 20.832 1.00 26.04 C ATOM 728 CD2 PHE A 126 81.316 79.574 23.081 1.00 25.37 C ATOM 729 CE1 PHE A 126 80.607 80.424 20.554 1.00 25.34 C ATOM 730 CE2 PHE A 126 81.235 80.925 22.804 1.00 25.83 C ATOM 731 CZ PHE A 126 80.881 81.348 21.543 1.00 26.04 C ATOM 732 HA PHE A 126 79.149 77.251 23.300 1.00 0.00 H ATOM 733 HB2 PHE A 126 81.715 77.023 23.298 1.00 0.00 H ATOM 734 HB3 PHE A 126 81.564 76.649 21.565 1.00 0.00 H ATOM 735 HD2 PHE A 126 81.580 79.244 24.086 1.00 0.00 H ATOM 736 HE2 PHE A 126 81.451 81.655 23.584 1.00 0.00 H ATOM 737 HZ PHE A 126 80.817 82.414 21.325 1.00 0.00 H ATOM 738 HE1 PHE A 126 80.322 80.759 19.557 1.00 0.00 H ATOM 739 HD1 PHE A 126 80.471 78.346 20.052 1.00 0.00 H ATOM 740 H PHE A 126 80.597 74.681 23.213 1.00 0.00 H ATOM 741 N CYS A 127 79.389 75.562 20.460 1.00 23.24 N ATOM 742 CA CYS A 127 78.743 75.363 19.148 1.00 23.34 C ATOM 743 C CYS A 127 77.629 74.308 19.165 1.00 23.91 C ATOM 744 O CYS A 127 76.848 74.227 18.215 1.00 24.11 O ATOM 745 CB CYS A 127 79.782 75.025 18.068 1.00 24.80 C ATOM 746 SG CYS A 127 80.627 73.429 18.227 1.00 26.38 S ATOM 747 HA CYS A 127 78.266 76.313 18.906 1.00 0.00 H ATOM 748 HB2 CYS A 127 80.543 75.806 18.085 1.00 0.00 H ATOM 749 HB3 CYS A 127 79.273 75.036 17.104 1.00 0.00 H ATOM 750 HG CYS A 127 81.305 73.387 19.428 1.00 0.00 H ATOM 751 H CYS A 127 80.208 74.973 20.712 1.00 0.00 H ATOM 752 N TYR A 128 77.556 73.525 20.245 1.00 24.60 N ATOM 753 CA TYR A 128 76.554 72.447 20.426 1.00 24.15 C ATOM 754 C TYR A 128 76.756 71.298 19.429 1.00 25.86 C ATOM 755 O TYR A 128 75.859 70.474 19.215 1.00 26.22 O ATOM 756 CB TYR A 128 75.115 72.992 20.371 1.00 24.20 C ATOM 757 CG TYR A 128 74.166 72.382 21.396 1.00 24.55 C ATOM 758 CD1 TYR A 128 74.388 72.542 22.759 1.00 25.54 C ATOM 759 CD2 TYR A 128 73.037 71.667 21.003 1.00 23.35 C ATOM 760 CE1 TYR A 128 73.514 71.995 23.712 1.00 25.33 C ATOM 761 CE2 TYR A 128 72.160 71.117 21.946 1.00 22.96 C ATOM 762 CZ TYR A 128 72.412 71.278 23.300 1.00 23.86 C ATOM 763 OH TYR A 128 71.544 70.746 24.240 1.00 23.46 O ATOM 764 HA TYR A 128 76.711 72.037 21.423 1.00 0.00 H ATOM 765 HB3 TYR A 128 74.714 72.795 19.377 1.00 0.00 H ATOM 766 HB2 TYR A 128 75.152 74.068 20.540 1.00 0.00 H ATOM 767 HD2 TYR A 128 72.832 71.533 19.941 1.00 0.00 H ATOM 768 HE2 TYR A 128 71.281 70.563 21.616 1.00 0.00 H ATOM 769 HE1 TYR A 128 73.707 72.137 24.775 1.00 0.00 H ATOM 770 HD1 TYR A 128 75.259 73.104 23.095 1.00 0.00 H ATOM 771 HH TYR A 128 71.876 70.954 25.149 1.00 0.00 H ATOM 772 H TYR A 128 78.246 73.681 21.007 1.00 0.00 H ATOM 773 N GLY A 129 77.944 71.233 18.837 1.00 25.54 N ATOM 774 CA GLY A 129 78.276 70.161 17.911 1.00 25.76 C ATOM 775 C GLY A 129 78.470 68.867 18.674 1.00 25.50 C ATOM 776 O GLY A 129 79.142 68.850 19.704 1.00 24.97 O ATOM 777 HA3 GLY A 129 79.196 70.411 17.382 1.00 0.00 H ATOM 778 HA2 GLY A 129 77.466 70.040 17.192 1.00 0.00 H ATOM 779 H GLY A 129 78.653 71.966 19.040 1.00 0.00 H ATOM 780 N GLY A 130 77.876 67.786 18.173 1.00 25.69 N ATOM 781 CA GLY A 130 77.974 66.474 18.821 1.00 25.71 C ATOM 782 C GLY A 130 78.930 65.550 18.089 1.00 24.47 C ATOM 783 O GLY A 130 79.007 65.592 16.866 1.00 25.95 O ATOM 784 HA3 GLY A 130 76.985 66.015 18.840 1.00 0.00 H ATOM 785 HA2 GLY A 130 78.329 66.611 19.842 1.00 0.00 H ATOM 786 H GLY A 130 77.326 67.875 17.295 1.00 0.00 H ATOM 787 N LEU A 131 79.664 64.728 18.841 1.00 23.74 N ATOM 788 CA LEU A 131 80.548 63.708 18.267 1.00 24.94 C ATOM 789 C LEU A 131 80.406 62.381 19.015 1.00 25.69 C ATOM 790 O LEU A 131 80.294 62.362 20.240 1.00 25.65 O ATOM 791 CB LEU A 131 82.006 64.159 18.333 1.00 25.47 C ATOM 792 CG LEU A 131 82.419 65.310 17.412 1.00 26.32 C ATOM 793 CD1 LEU A 131 83.831 65.766 17.740 1.00 25.97 C ATOM 794 CD2 LEU A 131 82.307 64.915 15.945 1.00 26.13 C ATOM 795 HA LEU A 131 80.256 63.569 17.226 1.00 0.00 H ATOM 796 HB2 LEU A 131 82.209 64.469 19.358 1.00 0.00 H ATOM 797 HB3 LEU A 131 82.628 63.299 18.085 1.00 0.00 H ATOM 798 HG LEU A 131 81.734 66.141 17.582 1.00 0.00 H ATOM 799 HD21 LEU A 131 82.958 64.063 15.749 1.00 0.00 H ATOM 800 HD22 LEU A 131 81.275 64.645 15.721 1.00 0.00 H ATOM 801 HD23 LEU A 131 82.608 65.756 15.320 1.00 0.00 H ATOM 802 HD11 LEU A 131 83.871 66.105 18.775 1.00 0.00 H ATOM 803 HD12 LEU A 131 84.521 64.934 17.603 1.00 0.00 H ATOM 804 HD13 LEU A 131 84.110 66.585 17.077 1.00 0.00 H ATOM 805 H LEU A 131 79.607 64.814 19.876 1.00 0.00 H ATOM 806 N GLN A 132 80.426 61.280 18.266 1.00 24.96 N ATOM 807 CA GLN A 132 80.351 59.935 18.840 1.00 26.39 C ATOM 808 C GLN A 132 81.305 59.004 18.090 1.00 25.67 C ATOM 809 O GLN A 132 82.053 59.456 17.220 1.00 23.34 O ATOM 810 CB GLN A 132 78.912 59.413 18.783 1.00 27.32 C ATOM 811 CG GLN A 132 78.369 59.208 17.373 1.00 30.70 C ATOM 812 CD GLN A 132 77.104 58.370 17.333 1.00 33.92 C ATOM 813 OE1 GLN A 132 76.402 58.223 18.334 1.00 39.87 O ATOM 814 NE2 GLN A 132 76.806 57.820 16.168 1.00 36.29 N ATOM 815 HA GLN A 132 80.652 59.970 19.887 1.00 0.00 H ATOM 816 HB2 GLN A 132 78.876 58.457 19.305 1.00 0.00 H ATOM 817 HB3 GLN A 132 78.269 60.129 19.295 1.00 0.00 H ATOM 818 HG2 GLN A 132 78.151 60.184 16.940 1.00 0.00 H ATOM 819 HG3 GLN A 132 79.133 58.710 16.777 1.00 0.00 H ATOM 820 HE22 GLN A 132 77.427 57.970 15.348 1.00 0.00 H ATOM 821 HE21 GLN A 132 75.950 57.237 16.072 1.00 0.00 H ATOM 822 H GLN A 132 80.498 61.379 17.233 1.00 0.00 H ATOM 823 N SER A 133 81.284 57.716 18.429 1.00 24.95 N ATOM 824 CA SER A 133 82.108 56.706 17.742 1.00 26.03 C ATOM 825 C SER A 133 83.587 57.100 17.737 1.00 25.40 C ATOM 826 O SER A 133 84.270 57.069 16.700 1.00 24.89 O ATOM 827 CB SER A 133 81.596 56.466 16.320 1.00 28.27 C ATOM 828 OG SER A 133 80.222 56.116 16.334 1.00 28.23 O ATOM 829 HA SER A 133 82.022 55.771 18.296 1.00 0.00 H ATOM 830 HB2 SER A 133 82.167 55.656 15.866 1.00 0.00 H ATOM 831 HB3 SER A 133 81.728 57.375 15.734 1.00 0.00 H ATOM 832 HG SER A 133 79.912 55.965 15.406 1.00 0.00 H ATOM 833 H SER A 133 80.664 57.412 19.207 1.00 0.00 H ATOM 834 N TRP A 134 84.065 57.466 18.920 1.00 25.02 N ATOM 835 CA TRP A 134 85.458 57.831 19.131 1.00 26.80 C ATOM 836 C TRP A 134 86.358 56.615 18.948 1.00 27.92 C ATOM 837 O TRP A 134 86.034 55.515 19.406 1.00 27.86 O ATOM 838 CB TRP A 134 85.642 58.417 20.532 1.00 26.30 C ATOM 839 CG TRP A 134 84.994 59.755 20.683 1.00 26.44 C ATOM 840 CD1 TRP A 134 83.693 60.009 21.008 1.00 26.16 C ATOM 841 CD2 TRP A 134 85.616 61.025 20.489 1.00 25.36 C ATOM 842 NE1 TRP A 134 83.468 61.365 21.034 1.00 26.64 N ATOM 843 CE2 TRP A 134 84.636 62.012 20.720 1.00 26.64 C ATOM 844 CE3 TRP A 134 86.914 61.427 20.148 1.00 26.94 C ATOM 845 CZ2 TRP A 134 84.911 63.374 20.609 1.00 26.68 C ATOM 846 CZ3 TRP A 134 87.185 62.776 20.041 1.00 26.82 C ATOM 847 CH2 TRP A 134 86.190 63.736 20.279 1.00 26.88 C ATOM 848 HA TRP A 134 85.737 58.585 18.394 1.00 0.00 H ATOM 849 HB2 TRP A 134 85.204 57.732 21.258 1.00 0.00 H ATOM 850 HB3 TRP A 134 86.709 58.521 20.730 1.00 0.00 H ATOM 851 HE1 TRP A 134 82.562 61.824 21.255 1.00 0.00 H ATOM 852 HD1 TRP A 134 82.942 59.247 21.217 1.00 0.00 H ATOM 853 HZ2 TRP A 134 84.137 64.123 20.778 1.00 0.00 H ATOM 854 HH2 TRP A 134 86.441 64.794 20.199 1.00 0.00 H ATOM 855 HZ3 TRP A 134 88.189 63.101 19.767 1.00 0.00 H ATOM 856 HE3 TRP A 134 87.695 60.688 19.970 1.00 0.00 H ATOM 857 H TRP A 134 83.416 57.493 19.732 1.00 0.00 H ATOM 858 N LYS A 135 87.476 56.823 18.258 1.00 25.92 N ATOM 859 CA LYS A 135 88.476 55.781 18.050 1.00 27.98 C ATOM 860 C LYS A 135 89.659 56.020 18.971 1.00 26.50 C ATOM 861 O LYS A 135 89.957 57.161 19.324 1.00 26.02 O ATOM 862 CB LYS A 135 88.941 55.770 16.593 1.00 31.40 C ATOM 863 CG LYS A 135 87.836 55.469 15.583 1.00 35.58 C ATOM 864 CD LYS A 135 87.058 54.214 15.965 1.00 38.12 C ATOM 865 CE LYS A 135 86.245 53.669 14.808 1.00 37.81 C ATOM 866 NZ LYS A 135 85.246 52.669 15.283 1.00 39.40 N ATOM 867 HA LYS A 135 88.030 54.813 18.278 1.00 0.00 H ATOM 868 HB2 LYS A 135 89.359 56.749 16.360 1.00 0.00 H ATOM 869 HB3 LYS A 135 89.716 55.011 16.488 1.00 0.00 H ATOM 870 HG2 LYS A 135 87.149 56.315 15.546 1.00 0.00 H ATOM 871 HG3 LYS A 135 88.284 55.323 14.600 1.00 0.00 H ATOM 872 HD2 LYS A 135 87.763 53.449 16.290 1.00 0.00 H ATOM 873 HD3 LYS A 135 86.383 54.456 16.786 1.00 0.00 H ATOM 874 HE2 LYS A 135 86.916 53.192 14.094 1.00 0.00 H ATOM 875 HE3 LYS A 135 85.722 54.492 14.320 1.00 0.00 H ATOM 876 HZ1 LYS A 135 85.740 51.880 15.746 1.00 0.00 H ATOM 877 HZ2 LYS A 135 84.601 53.121 15.962 1.00 0.00 H ATOM 878 HZ3 LYS A 135 84.703 52.311 14.472 1.00 0.00 H ATOM 879 H LYS A 135 87.644 57.765 17.851 1.00 0.00 H ATOM 880 N ARG A 136 90.325 54.939 19.365 1.00 26.22 N ATOM 881 CA ARG A 136 91.482 55.043 20.248 1.00 28.12 C ATOM 882 C ARG A 136 92.524 55.979 19.643 1.00 26.81 C ATOM 883 O ARG A 136 92.848 55.888 18.452 1.00 25.43 O ATOM 884 CB ARG A 136 92.079 53.663 20.553 1.00 28.75 C ATOM 885 CG ARG A 136 92.559 52.881 19.333 1.00 31.71 C ATOM 886 CD ARG A 136 93.209 51.538 19.684 1.00 33.97 C ATOM 887 NE ARG A 136 92.465 50.759 20.674 1.00 36.66 N ATOM 888 CZ ARG A 136 92.776 49.512 21.034 1.00 37.43 C ATOM 889 NH1 ARG A 136 93.802 48.877 20.472 1.00 39.26 N ATOM 890 NH2 ARG A 136 92.048 48.888 21.951 1.00 39.16 N ATOM 891 HA ARG A 136 91.152 55.465 21.197 1.00 0.00 H ATOM 892 HB2 ARG A 136 92.929 53.803 21.221 1.00 0.00 H ATOM 893 HB3 ARG A 136 91.317 53.069 21.057 1.00 0.00 H ATOM 894 HG2 ARG A 136 91.703 52.691 18.686 1.00 0.00 H ATOM 895 HG3 ARG A 136 93.289 53.489 18.799 1.00 0.00 H ATOM 896 HD2 ARG A 136 94.206 51.732 20.079 1.00 0.00 H ATOM 897 HD3 ARG A 136 93.289 50.947 18.772 1.00 0.00 H ATOM 898 HE ARG A 136 91.641 51.205 21.126 1.00 0.00 H ATOM 899 HH12 ARG A 136 94.034 47.905 20.761 1.00 0.00 H ATOM 900 HH11 ARG A 136 94.372 49.352 19.743 1.00 0.00 H ATOM 901 HH22 ARG A 136 92.288 47.916 22.233 1.00 0.00 H ATOM 902 HH21 ARG A 136 91.237 49.371 22.388 1.00 0.00 H ATOM 903 H ARG A 136 90.016 54.002 19.038 1.00 0.00 H ATOM 904 N GLY A 137 93.009 56.907 20.467 1.00 26.51 N ATOM 905 CA GLY A 137 94.000 57.880 20.036 1.00 28.13 C ATOM 906 C GLY A 137 93.452 59.119 19.350 1.00 26.89 C ATOM 907 O GLY A 137 94.229 60.014 19.020 1.00 27.76 O ATOM 908 HA3 GLY A 137 94.677 57.384 19.341 1.00 0.00 H ATOM 909 HA2 GLY A 137 94.557 58.203 20.915 1.00 0.00 H ATOM 910 H GLY A 137 92.668 56.936 21.449 1.00 0.00 H ATOM 911 N ASP A 138 92.136 59.182 19.114 1.00 27.01 N ATOM 912 CA ASP A 138 91.511 60.402 18.582 1.00 26.16 C ATOM 913 C ASP A 138 91.893 61.584 19.460 1.00 27.62 C ATOM 914 O ASP A 138 91.907 61.470 20.685 1.00 26.61 O ATOM 915 CB ASP A 138 89.975 60.304 18.572 1.00 26.06 C ATOM 916 CG ASP A 138 89.413 59.668 17.312 1.00 28.64 C ATOM 917 OD1 ASP A 138 90.171 59.373 16.367 1.00 28.00 O ATOM 918 OD2 ASP A 138 88.179 59.462 17.280 1.00 28.16 O ATOM 919 HA ASP A 138 91.864 60.530 17.559 1.00 0.00 H ATOM 920 HB2 ASP A 138 89.662 59.707 19.429 1.00 0.00 H ATOM 921 HB3 ASP A 138 89.565 61.310 18.663 1.00 0.00 H ATOM 922 H ASP A 138 91.543 58.351 19.311 1.00 0.00 H ATOM 923 N ASP A 139 92.188 62.720 18.833 1.00 27.68 N ATOM 924 CA ASP A 139 92.528 63.934 19.561 1.00 25.98 C ATOM 925 C ASP A 139 91.309 64.857 19.554 1.00 24.79 C ATOM 926 O ASP A 139 90.888 65.298 18.485 1.00 25.46 O ATOM 927 CB ASP A 139 93.714 64.625 18.896 1.00 27.04 C ATOM 928 CG ASP A 139 94.122 65.890 19.611 1.00 31.93 C ATOM 929 OD1 ASP A 139 94.473 65.809 20.807 1.00 35.59 O ATOM 930 OD2 ASP A 139 94.088 66.961 18.977 1.00 34.50 O ATOM 931 HA ASP A 139 92.804 63.691 20.587 1.00 0.00 H ATOM 932 HB2 ASP A 139 94.560 63.938 18.890 1.00 0.00 H ATOM 933 HB3 ASP A 139 93.443 64.875 17.870 1.00 0.00 H ATOM 934 H ASP A 139 92.175 62.741 17.793 1.00 0.00 H ATOM 935 N PRO A 140 90.715 65.125 20.735 1.00 26.03 N ATOM 936 CA PRO A 140 89.524 65.980 20.783 1.00 25.19 C ATOM 937 C PRO A 140 89.627 67.335 20.067 1.00 25.55 C ATOM 938 O PRO A 140 88.694 67.704 19.351 1.00 26.25 O ATOM 939 CB PRO A 140 89.276 66.150 22.288 1.00 25.26 C ATOM 940 CG PRO A 140 89.806 64.888 22.877 1.00 26.36 C ATOM 941 CD PRO A 140 91.046 64.589 22.071 1.00 26.87 C ATOM 942 HA PRO A 140 88.706 65.513 20.234 1.00 0.00 H ATOM 943 HD3 PRO A 140 91.917 65.093 22.490 1.00 0.00 H ATOM 944 HD2 PRO A 140 91.235 63.516 22.027 1.00 0.00 H ATOM 945 HG3 PRO A 140 89.079 64.082 22.780 1.00 0.00 H ATOM 946 HG2 PRO A 140 90.054 65.027 23.929 1.00 0.00 H ATOM 947 HB2 PRO A 140 89.813 67.016 22.676 1.00 0.00 H ATOM 948 HB3 PRO A 140 88.212 66.260 22.497 1.00 0.00 H ATOM 949 N TRP A 141 90.726 68.066 20.240 1.00 24.79 N ATOM 950 CA TRP A 141 90.873 69.353 19.543 1.00 26.11 C ATOM 951 C TRP A 141 90.873 69.183 18.018 1.00 26.59 C ATOM 952 O TRP A 141 90.258 69.976 17.303 1.00 26.60 O ATOM 953 CB TRP A 141 92.138 70.102 19.985 1.00 27.02 C ATOM 954 CG TRP A 141 91.981 71.008 21.190 1.00 27.92 C ATOM 955 CD1 TRP A 141 92.768 71.023 22.309 1.00 29.47 C ATOM 956 CD2 TRP A 141 91.002 72.043 21.381 1.00 27.71 C ATOM 957 NE1 TRP A 141 92.337 71.995 23.180 1.00 29.16 N ATOM 958 CE2 TRP A 141 91.256 72.635 22.636 1.00 27.97 C ATOM 959 CE3 TRP A 141 89.941 72.529 20.612 1.00 28.46 C ATOM 960 CZ2 TRP A 141 90.488 73.689 23.136 1.00 28.05 C ATOM 961 CZ3 TRP A 141 89.167 73.565 21.119 1.00 28.99 C ATOM 962 CH2 TRP A 141 89.447 74.132 22.366 1.00 27.89 C ATOM 963 HA TRP A 141 90.005 69.950 19.821 1.00 0.00 H ATOM 964 HB2 TRP A 141 92.901 69.360 20.221 1.00 0.00 H ATOM 965 HB3 TRP A 141 92.475 70.714 19.148 1.00 0.00 H ATOM 966 HE1 TRP A 141 92.764 72.210 24.104 1.00 0.00 H ATOM 967 HD1 TRP A 141 93.615 70.360 22.485 1.00 0.00 H ATOM 968 HZ2 TRP A 141 90.709 74.141 24.103 1.00 0.00 H ATOM 969 HH2 TRP A 141 88.822 74.946 22.733 1.00 0.00 H ATOM 970 HZ3 TRP A 141 88.327 73.942 20.535 1.00 0.00 H ATOM 971 HE3 TRP A 141 89.725 72.103 19.632 1.00 0.00 H ATOM 972 H TRP A 141 91.482 67.727 20.869 1.00 0.00 H ATOM 973 N THR A 142 91.565 68.153 17.528 1.00 25.59 N ATOM 974 CA THR A 142 91.625 67.860 16.095 1.00 25.70 C ATOM 975 C THR A 142 90.233 67.546 15.538 1.00 25.07 C ATOM 976 O THR A 142 89.837 68.079 14.501 1.00 24.67 O ATOM 977 CB THR A 142 92.566 66.672 15.797 1.00 25.57 C ATOM 978 OG1 THR A 142 93.902 66.988 16.219 1.00 25.18 O ATOM 979 CG2 THR A 142 92.575 66.341 14.306 1.00 24.44 C ATOM 980 HA THR A 142 92.018 68.753 15.608 1.00 0.00 H ATOM 981 HB THR A 142 92.199 65.805 16.346 1.00 0.00 H ATOM 982 HG1 THR A 142 93.905 67.171 17.192 1.00 0.00 H ATOM 983 HG23 THR A 142 91.562 66.101 13.982 1.00 0.00 H ATOM 984 HG21 THR A 142 92.942 67.201 13.746 1.00 0.00 H ATOM 985 HG22 THR A 142 93.227 65.486 14.129 1.00 0.00 H ATOM 986 H THR A 142 92.080 67.536 18.188 1.00 0.00 H ATOM 987 N GLU A 143 89.487 66.697 16.241 1.00 24.93 N ATOM 988 CA GLU A 143 88.132 66.350 15.811 1.00 25.40 C ATOM 989 C GLU A 143 87.206 67.567 15.870 1.00 25.71 C ATOM 990 O GLU A 143 86.360 67.733 14.997 1.00 25.23 O ATOM 991 CB GLU A 143 87.562 65.199 16.645 1.00 24.98 C ATOM 992 CG GLU A 143 88.366 63.902 16.568 1.00 25.99 C ATOM 993 CD GLU A 143 88.463 63.337 15.165 1.00 28.09 C ATOM 994 OE1 GLU A 143 87.413 62.996 14.583 1.00 29.42 O ATOM 995 OE2 GLU A 143 89.594 63.219 14.644 1.00 29.06 O ATOM 996 HA GLU A 143 88.193 66.018 14.775 1.00 0.00 H ATOM 997 HB2 GLU A 143 87.528 65.517 17.687 1.00 0.00 H ATOM 998 HB3 GLU A 143 86.550 64.994 16.296 1.00 0.00 H ATOM 999 HG2 GLU A 143 89.374 64.098 16.932 1.00 0.00 H ATOM 1000 HG3 GLU A 143 87.888 63.160 17.207 1.00 0.00 H ATOM 1001 H GLU A 143 89.873 66.274 17.109 1.00 0.00 H ATOM 1002 N HIS A 144 87.378 68.416 16.887 1.00 26.90 N ATOM 1003 CA HIS A 144 86.600 69.664 17.008 1.00 25.73 C ATOM 1004 C HIS A 144 86.800 70.537 15.762 1.00 26.04 C ATOM 1005 O HIS A 144 85.834 71.042 15.185 1.00 25.72 O ATOM 1006 CB HIS A 144 87.022 70.451 18.260 1.00 25.38 C ATOM 1007 CG HIS A 144 85.946 71.332 18.835 1.00 26.39 C ATOM 1008 ND1 HIS A 144 85.885 71.634 20.178 1.00 24.99 N ATOM 1009 CD2 HIS A 144 84.892 71.963 18.262 1.00 25.47 C ATOM 1010 CE1 HIS A 144 84.842 72.414 20.407 1.00 26.09 C ATOM 1011 NE2 HIS A 144 84.223 72.633 19.261 1.00 23.58 N ATOM 1012 HA HIS A 144 85.547 69.398 17.098 1.00 0.00 H ATOM 1013 HB2 HIS A 144 87.323 69.737 19.026 1.00 0.00 H ATOM 1014 HB3 HIS A 144 87.873 71.080 17.997 1.00 0.00 H ATOM 1015 HD2 HIS A 144 84.624 71.943 17.206 1.00 0.00 H ATOM 1016 HE1 HIS A 144 84.543 72.810 21.378 1.00 0.00 H ATOM 1017 H HIS A 144 88.083 68.190 17.617 1.00 0.00 H ATOM 1018 N ALA A 145 88.058 70.696 15.352 1.00 25.27 N ATOM 1019 CA ALA A 145 88.412 71.534 14.200 1.00 24.99 C ATOM 1020 C ALA A 145 88.017 70.896 12.875 1.00 24.84 C ATOM 1021 O ALA A 145 87.645 71.595 11.939 1.00 24.81 O ATOM 1022 CB ALA A 145 89.902 71.845 14.206 1.00 24.14 C ATOM 1023 HA ALA A 145 87.847 72.461 14.296 1.00 0.00 H ATOM 1024 HB1 ALA A 145 90.157 72.376 15.123 1.00 0.00 H ATOM 1025 HB2 ALA A 145 90.466 70.914 14.155 1.00 0.00 H ATOM 1026 HB3 ALA A 145 90.145 72.467 13.345 1.00 0.00 H ATOM 1027 H ALA A 145 88.818 70.208 15.868 1.00 0.00 H ATOM 1028 N LYS A 146 88.120 69.574 12.798 1.00 25.69 N ATOM 1029 CA LYS A 146 87.722 68.816 11.613 1.00 27.55 C ATOM 1030 C LYS A 146 86.235 68.991 11.292 1.00 26.08 C ATOM 1031 O LYS A 146 85.870 69.281 10.150 1.00 24.57 O ATOM 1032 CB LYS A 146 88.042 67.337 11.848 1.00 29.67 C ATOM 1033 CG LYS A 146 87.858 66.413 10.664 1.00 33.04 C ATOM 1034 CD LYS A 146 88.218 64.967 11.038 1.00 35.02 C ATOM 1035 CE LYS A 146 89.715 64.790 11.337 1.00 38.23 C ATOM 1036 NZ LYS A 146 90.078 63.397 11.764 1.00 38.72 N ATOM 1037 HA LYS A 146 88.279 69.194 10.756 1.00 0.00 H ATOM 1038 HB2 LYS A 146 89.083 67.269 12.164 1.00 0.00 H ATOM 1039 HB3 LYS A 146 87.396 66.981 12.651 1.00 0.00 H ATOM 1040 HG2 LYS A 146 86.818 66.450 10.340 1.00 0.00 H ATOM 1041 HG3 LYS A 146 88.503 66.743 9.850 1.00 0.00 H ATOM 1042 HD2 LYS A 146 87.649 64.683 11.923 1.00 0.00 H ATOM 1043 HD3 LYS A 146 87.948 64.314 10.208 1.00 0.00 H ATOM 1044 HE2 LYS A 146 89.992 65.479 12.135 1.00 0.00 H ATOM 1045 HE3 LYS A 146 90.279 65.033 10.436 1.00 0.00 H ATOM 1046 HZ1 LYS A 146 89.555 63.154 12.630 1.00 0.00 H ATOM 1047 HZ2 LYS A 146 89.829 62.728 11.008 1.00 0.00 H ATOM 1048 HZ3 LYS A 146 91.100 63.348 11.949 1.00 0.00 H ATOM 1049 H LYS A 146 88.500 69.056 13.616 1.00 0.00 H ATOM 1050 N TRP A 147 85.388 68.838 12.308 1.00 24.90 N ATOM 1051 CA TRP A 147 83.934 68.780 12.124 1.00 25.17 C ATOM 1052 C TRP A 147 83.206 70.113 12.329 1.00 25.90 C ATOM 1053 O TRP A 147 82.177 70.355 11.697 1.00 26.36 O ATOM 1054 CB TRP A 147 83.336 67.715 13.048 1.00 26.47 C ATOM 1055 CG TRP A 147 83.811 66.340 12.718 1.00 26.68 C ATOM 1056 CD1 TRP A 147 84.693 65.584 13.431 1.00 27.20 C ATOM 1057 CD2 TRP A 147 83.455 65.563 11.570 1.00 27.52 C ATOM 1058 NE1 TRP A 147 84.902 64.383 12.806 1.00 26.85 N ATOM 1059 CE2 TRP A 147 84.154 64.340 11.661 1.00 27.32 C ATOM 1060 CE3 TRP A 147 82.608 65.777 10.476 1.00 28.27 C ATOM 1061 CZ2 TRP A 147 84.031 63.334 10.702 1.00 27.64 C ATOM 1062 CZ3 TRP A 147 82.487 64.779 9.522 1.00 27.51 C ATOM 1063 CH2 TRP A 147 83.196 63.569 9.643 1.00 27.10 C ATOM 1064 HA TRP A 147 83.781 68.520 11.077 1.00 0.00 H ATOM 1065 HB2 TRP A 147 83.618 67.945 14.075 1.00 0.00 H ATOM 1066 HB3 TRP A 147 82.250 67.742 12.956 1.00 0.00 H ATOM 1067 HE1 TRP A 147 85.528 63.626 13.147 1.00 0.00 H ATOM 1068 HD1 TRP A 147 85.164 65.891 14.365 1.00 0.00 H ATOM 1069 HZ2 TRP A 147 84.579 62.396 10.793 1.00 0.00 H ATOM 1070 HH2 TRP A 147 83.078 62.803 8.877 1.00 0.00 H ATOM 1071 HZ3 TRP A 147 81.832 64.934 8.664 1.00 0.00 H ATOM 1072 HE3 TRP A 147 82.054 66.711 10.376 1.00 0.00 H ATOM 1073 H TRP A 147 85.773 68.756 13.271 1.00 0.00 H ATOM 1074 N PHE A 148 83.734 70.967 13.204 1.00 25.67 N ATOM 1075 CA PHE A 148 83.087 72.240 13.540 1.00 26.07 C ATOM 1076 C PHE A 148 84.087 73.397 13.487 1.00 26.34 C ATOM 1077 O PHE A 148 84.306 74.078 14.491 1.00 27.44 O ATOM 1078 CB PHE A 148 82.444 72.162 14.928 1.00 26.54 C ATOM 1079 CG PHE A 148 81.678 70.895 15.170 1.00 26.17 C ATOM 1080 CD1 PHE A 148 80.527 70.614 14.449 1.00 28.88 C ATOM 1081 CD2 PHE A 148 82.115 69.975 16.112 1.00 28.04 C ATOM 1082 CE1 PHE A 148 79.821 69.437 14.669 1.00 28.21 C ATOM 1083 CE2 PHE A 148 81.414 68.799 16.332 1.00 27.75 C ATOM 1084 CZ PHE A 148 80.269 68.531 15.611 1.00 26.62 C ATOM 1085 HA PHE A 148 82.309 72.427 12.800 1.00 0.00 H ATOM 1086 HB2 PHE A 148 83.232 72.236 15.677 1.00 0.00 H ATOM 1087 HB3 PHE A 148 81.760 73.004 15.038 1.00 0.00 H ATOM 1088 HD2 PHE A 148 83.019 70.179 16.685 1.00 0.00 H ATOM 1089 HE2 PHE A 148 81.768 68.085 17.076 1.00 0.00 H ATOM 1090 HZ PHE A 148 79.719 67.606 15.784 1.00 0.00 H ATOM 1091 HE1 PHE A 148 78.915 69.229 14.099 1.00 0.00 H ATOM 1092 HD1 PHE A 148 80.172 71.324 13.702 1.00 0.00 H ATOM 1093 H PHE A 148 84.634 70.723 13.664 1.00 0.00 H ATOM 1094 N PRO A 149 84.674 73.644 12.304 1.00 26.07 N ATOM 1095 CA PRO A 149 85.716 74.666 12.170 1.00 25.55 C ATOM 1096 C PRO A 149 85.247 76.101 12.426 1.00 26.73 C ATOM 1097 O PRO A 149 86.085 76.991 12.592 1.00 27.10 O ATOM 1098 CB PRO A 149 86.174 74.508 10.719 1.00 25.08 C ATOM 1099 CG PRO A 149 85.021 73.895 10.018 1.00 25.62 C ATOM 1100 CD PRO A 149 84.394 72.981 11.016 1.00 25.13 C ATOM 1101 HA PRO A 149 86.495 74.518 12.918 1.00 0.00 H ATOM 1102 HD3 PRO A 149 83.321 72.894 10.846 1.00 0.00 H ATOM 1103 HD2 PRO A 149 84.848 71.991 10.979 1.00 0.00 H ATOM 1104 HG3 PRO A 149 85.358 73.335 9.146 1.00 0.00 H ATOM 1105 HG2 PRO A 149 84.313 74.662 9.704 1.00 0.00 H ATOM 1106 HB2 PRO A 149 86.415 75.478 10.285 1.00 0.00 H ATOM 1107 HB3 PRO A 149 87.048 73.859 10.661 1.00 0.00 H ATOM 1108 N GLY A 150 83.934 76.324 12.446 1.00 27.73 N ATOM 1109 CA GLY A 150 83.374 77.650 12.709 1.00 26.32 C ATOM 1110 C GLY A 150 83.120 77.972 14.175 1.00 25.48 C ATOM 1111 O GLY A 150 82.660 79.065 14.491 1.00 26.25 O ATOM 1112 HA3 GLY A 150 82.425 77.726 12.178 1.00 0.00 H ATOM 1113 HA2 GLY A 150 84.069 78.393 12.317 1.00 0.00 H ATOM 1114 H GLY A 150 83.286 75.530 12.269 1.00 0.00 H ATOM 1115 N CYS A 151 83.420 77.033 15.071 1.00 25.00 N ATOM 1116 CA CYS A 151 83.193 77.227 16.504 1.00 24.84 C ATOM 1117 C CYS A 151 84.080 78.340 17.065 1.00 26.09 C ATOM 1118 O CYS A 151 85.297 78.315 16.893 1.00 25.49 O ATOM 1119 CB CYS A 151 83.497 75.938 17.250 1.00 24.90 C ATOM 1120 SG CYS A 151 83.257 76.036 19.015 1.00 25.35 S ATOM 1121 HA CYS A 151 82.149 77.510 16.640 1.00 0.00 H ATOM 1122 HB2 CYS A 151 84.537 75.671 17.061 1.00 0.00 H ATOM 1123 HB3 CYS A 151 82.846 75.156 16.860 1.00 0.00 H ATOM 1124 HG CYS A 151 83.560 74.817 19.587 1.00 0.00 H ATOM 1125 H CYS A 151 83.828 76.135 14.742 1.00 0.00 H ATOM 1126 N GLN A 152 83.476 79.303 17.752 1.00 25.02 N ATOM 1127 CA GLN A 152 84.229 80.453 18.251 1.00 25.10 C ATOM 1128 C GLN A 152 85.052 80.128 19.496 1.00 24.93 C ATOM 1129 O GLN A 152 86.085 80.753 19.725 1.00 26.01 O ATOM 1130 CB GLN A 152 83.304 81.649 18.489 1.00 27.08 C ATOM 1131 CG GLN A 152 82.634 82.145 17.215 1.00 32.02 C ATOM 1132 CD GLN A 152 83.635 82.640 16.182 1.00 36.29 C ATOM 1133 OE1 GLN A 152 84.279 83.672 16.372 1.00 40.54 O ATOM 1134 NE2 GLN A 152 83.768 81.905 15.080 1.00 38.58 N ATOM 1135 HA GLN A 152 84.945 80.722 17.474 1.00 0.00 H ATOM 1136 HB2 GLN A 152 82.530 81.354 19.197 1.00 0.00 H ATOM 1137 HB3 GLN A 152 83.891 82.464 18.913 1.00 0.00 H ATOM 1138 HG2 GLN A 152 82.060 81.327 16.781 1.00 0.00 H ATOM 1139 HG3 GLN A 152 81.961 82.964 17.470 1.00 0.00 H ATOM 1140 HE22 GLN A 152 83.203 81.040 14.961 1.00 0.00 H ATOM 1141 HE21 GLN A 152 84.436 82.196 14.338 1.00 0.00 H ATOM 1142 H GLN A 152 82.455 79.238 17.937 1.00 0.00 H ATOM 1143 N PHE A 153 84.596 79.163 20.297 1.00 25.46 N ATOM 1144 CA PHE A 153 85.407 78.631 21.398 1.00 25.06 C ATOM 1145 C PHE A 153 86.696 77.983 20.873 1.00 23.55 C ATOM 1146 O PHE A 153 87.785 78.249 21.385 1.00 24.55 O ATOM 1147 CB PHE A 153 84.611 77.631 22.250 1.00 26.80 C ATOM 1148 CG PHE A 153 85.427 76.988 23.335 1.00 26.26 C ATOM 1149 CD1 PHE A 153 85.773 77.703 24.476 1.00 25.91 C ATOM 1150 CD2 PHE A 153 85.872 75.682 23.206 1.00 27.48 C ATOM 1151 CE1 PHE A 153 86.539 77.117 25.479 1.00 28.10 C ATOM 1152 CE2 PHE A 153 86.636 75.091 24.204 1.00 27.64 C ATOM 1153 CZ PHE A 153 86.974 75.814 25.340 1.00 27.74 C ATOM 1154 HA PHE A 153 85.681 79.472 22.035 1.00 0.00 H ATOM 1155 HB2 PHE A 153 83.776 78.158 22.712 1.00 0.00 H ATOM 1156 HB3 PHE A 153 84.228 76.848 21.596 1.00 0.00 H ATOM 1157 HD2 PHE A 153 85.620 75.112 22.312 1.00 0.00 H ATOM 1158 HE2 PHE A 153 86.970 74.059 24.095 1.00 0.00 H ATOM 1159 HZ PHE A 153 87.581 75.354 26.120 1.00 0.00 H ATOM 1160 HE1 PHE A 153 86.795 77.686 26.373 1.00 0.00 H ATOM 1161 HD1 PHE A 153 85.440 78.735 24.586 1.00 0.00 H ATOM 1162 H PHE A 153 83.643 78.779 20.137 1.00 0.00 H ATOM 1163 N LEU A 154 86.565 77.142 19.853 1.00 24.95 N ATOM 1164 CA LEU A 154 87.721 76.569 19.161 1.00 25.27 C ATOM 1165 C LEU A 154 88.671 77.654 18.656 1.00 24.93 C ATOM 1166 O LEU A 154 89.892 77.572 18.856 1.00 24.56 O ATOM 1167 CB LEU A 154 87.248 75.710 17.986 1.00 24.35 C ATOM 1168 CG LEU A 154 88.298 75.162 17.011 1.00 26.81 C ATOM 1169 CD1 LEU A 154 89.203 74.148 17.693 1.00 29.22 C ATOM 1170 CD2 LEU A 154 87.606 74.544 15.808 1.00 27.75 C ATOM 1171 HA LEU A 154 88.266 75.952 19.876 1.00 0.00 H ATOM 1172 HB2 LEU A 154 86.720 74.854 18.405 1.00 0.00 H ATOM 1173 HB3 LEU A 154 86.553 76.315 17.404 1.00 0.00 H ATOM 1174 HG LEU A 154 88.926 75.987 16.674 1.00 0.00 H ATOM 1175 HD21 LEU A 154 86.961 73.731 16.140 1.00 0.00 H ATOM 1176 HD22 LEU A 154 87.007 75.303 15.306 1.00 0.00 H ATOM 1177 HD23 LEU A 154 88.356 74.156 15.119 1.00 0.00 H ATOM 1178 HD11 LEU A 154 89.717 74.625 18.527 1.00 0.00 H ATOM 1179 HD12 LEU A 154 88.602 73.317 18.062 1.00 0.00 H ATOM 1180 HD13 LEU A 154 89.936 73.778 16.977 1.00 0.00 H ATOM 1181 H LEU A 154 85.609 76.882 19.535 1.00 0.00 H ATOM 1182 N LEU A 155 88.116 78.664 17.989 1.00 24.54 N ATOM 1183 CA LEU A 155 88.933 79.749 17.447 1.00 23.96 C ATOM 1184 C LEU A 155 89.675 80.491 18.558 1.00 23.52 C ATOM 1185 O LEU A 155 90.884 80.705 18.462 1.00 21.75 O ATOM 1186 CB LEU A 155 88.077 80.725 16.629 1.00 24.11 C ATOM 1187 CG LEU A 155 88.763 81.985 16.090 1.00 23.64 C ATOM 1188 CD1 LEU A 155 89.934 81.643 15.177 1.00 23.93 C ATOM 1189 CD2 LEU A 155 87.750 82.865 15.365 1.00 24.54 C ATOM 1190 HA LEU A 155 89.674 79.303 16.784 1.00 0.00 H ATOM 1191 HB2 LEU A 155 87.682 80.176 15.774 1.00 0.00 H ATOM 1192 HB3 LEU A 155 87.252 81.048 17.264 1.00 0.00 H ATOM 1193 HG LEU A 155 89.166 82.537 16.939 1.00 0.00 H ATOM 1194 HD21 LEU A 155 87.317 82.309 14.533 1.00 0.00 H ATOM 1195 HD22 LEU A 155 86.961 83.156 16.059 1.00 0.00 H ATOM 1196 HD23 LEU A 155 88.250 83.757 14.987 1.00 0.00 H ATOM 1197 HD11 LEU A 155 90.670 81.063 15.734 1.00 0.00 H ATOM 1198 HD12 LEU A 155 89.574 81.059 14.330 1.00 0.00 H ATOM 1199 HD13 LEU A 155 90.393 82.564 14.816 1.00 0.00 H ATOM 1200 H LEU A 155 87.085 78.682 17.851 1.00 0.00 H ATOM 1201 N ARG A 156 88.956 80.884 19.608 1.00 25.21 N ATOM 1202 CA ARG A 156 89.568 81.640 20.700 1.00 26.65 C ATOM 1203 C ARG A 156 90.671 80.838 21.383 1.00 23.68 C ATOM 1204 O ARG A 156 91.718 81.388 21.725 1.00 24.67 O ATOM 1205 CB ARG A 156 88.519 82.056 21.735 1.00 28.53 C ATOM 1206 CG ARG A 156 89.038 83.068 22.760 1.00 33.04 C ATOM 1207 CD ARG A 156 88.095 83.196 23.949 1.00 38.91 C ATOM 1208 NE ARG A 156 88.102 81.992 24.780 1.00 44.09 N ATOM 1209 CZ ARG A 156 87.379 81.827 25.886 1.00 46.39 C ATOM 1210 NH1 ARG A 156 86.571 82.792 26.322 1.00 48.73 N ATOM 1211 NH2 ARG A 156 87.465 80.689 26.564 1.00 46.25 N ATOM 1212 HA ARG A 156 90.010 82.535 20.262 1.00 0.00 H ATOM 1213 HB2 ARG A 156 87.673 82.500 21.210 1.00 0.00 H ATOM 1214 HB3 ARG A 156 88.187 81.165 22.268 1.00 0.00 H ATOM 1215 HG2 ARG A 156 90.015 82.741 23.117 1.00 0.00 H ATOM 1216 HG3 ARG A 156 89.135 84.041 22.279 1.00 0.00 H ATOM 1217 HD2 ARG A 156 87.083 83.365 23.581 1.00 0.00 H ATOM 1218 HD3 ARG A 156 88.406 84.046 24.556 1.00 0.00 H ATOM 1219 HE ARG A 156 88.717 81.207 24.485 1.00 0.00 H ATOM 1220 HH12 ARG A 156 86.012 82.650 27.187 1.00 0.00 H ATOM 1221 HH11 ARG A 156 86.499 83.687 25.797 1.00 0.00 H ATOM 1222 HH22 ARG A 156 86.903 80.555 27.428 1.00 0.00 H ATOM 1223 HH21 ARG A 156 88.095 79.931 26.231 1.00 0.00 H ATOM 1224 H ARG A 156 87.944 80.650 19.652 1.00 0.00 H ATOM 1225 N SER A 157 90.429 79.540 21.564 1.00 23.68 N ATOM 1226 CA SER A 157 91.351 78.662 22.289 1.00 24.05 C ATOM 1227 C SER A 157 92.594 78.291 21.471 1.00 24.25 C ATOM 1228 O SER A 157 93.716 78.334 21.986 1.00 24.71 O ATOM 1229 CB SER A 157 90.630 77.383 22.726 1.00 25.98 C ATOM 1230 OG SER A 157 89.506 77.672 23.551 1.00 28.30 O ATOM 1231 HA SER A 157 91.690 79.222 23.160 1.00 0.00 H ATOM 1232 HB2 SER A 157 91.327 76.756 23.283 1.00 0.00 H ATOM 1233 HB3 SER A 157 90.290 76.847 21.840 1.00 0.00 H ATOM 1234 HG SER A 157 88.866 78.237 23.049 1.00 0.00 H ATOM 1235 H SER A 157 89.553 79.135 21.176 1.00 0.00 H ATOM 1236 N LYS A 158 92.391 77.938 20.200 1.00 24.73 N ATOM 1237 CA LYS A 158 93.450 77.342 19.369 1.00 23.03 C ATOM 1238 C LYS A 158 93.991 78.218 18.226 1.00 21.25 C ATOM 1239 O LYS A 158 95.085 77.960 17.716 1.00 21.48 O ATOM 1240 CB LYS A 158 92.958 76.010 18.789 1.00 24.48 C ATOM 1241 CG LYS A 158 92.603 74.942 19.823 1.00 26.59 C ATOM 1242 CD LYS A 158 93.795 74.498 20.678 1.00 28.25 C ATOM 1243 CE LYS A 158 94.734 73.589 19.915 1.00 31.64 C ATOM 1244 NZ LYS A 158 95.956 73.251 20.706 1.00 32.43 N ATOM 1245 HA LYS A 158 94.292 77.213 20.049 1.00 0.00 H ATOM 1246 HB2 LYS A 158 92.069 76.210 18.191 1.00 0.00 H ATOM 1247 HB3 LYS A 158 93.743 75.611 18.147 1.00 0.00 H ATOM 1248 HG2 LYS A 158 91.835 75.343 20.484 1.00 0.00 H ATOM 1249 HG3 LYS A 158 92.211 74.071 19.299 1.00 0.00 H ATOM 1250 HD2 LYS A 158 94.345 75.382 21.001 1.00 0.00 H ATOM 1251 HD3 LYS A 158 93.422 73.965 21.552 1.00 0.00 H ATOM 1252 HE2 LYS A 158 95.038 74.089 18.995 1.00 0.00 H ATOM 1253 HE3 LYS A 158 94.208 72.667 19.669 1.00 0.00 H ATOM 1254 HZ1 LYS A 158 96.469 74.125 20.940 1.00 0.00 H ATOM 1255 HZ2 LYS A 158 95.677 72.767 21.583 1.00 0.00 H ATOM 1256 HZ3 LYS A 158 96.570 72.627 20.144 1.00 0.00 H ATOM 1257 H LYS A 158 91.451 78.089 19.782 1.00 0.00 H ATOM 1258 N GLY A 159 93.242 79.244 17.824 1.00 20.72 N ATOM 1259 CA GLY A 159 93.688 80.157 16.777 1.00 22.59 C ATOM 1260 C GLY A 159 93.345 79.663 15.386 1.00 22.73 C ATOM 1261 O GLY A 159 93.098 78.472 15.180 1.00 22.12 O ATOM 1262 HA3 GLY A 159 94.770 80.271 16.850 1.00 0.00 H ATOM 1263 HA2 GLY A 159 93.211 81.125 16.931 1.00 0.00 H ATOM 1264 H GLY A 159 92.314 79.398 18.268 1.00 0.00 H ATOM 1265 N GLN A 160 93.332 80.583 14.426 1.00 22.58 N ATOM 1266 CA GLN A 160 92.906 80.266 13.065 1.00 23.46 C ATOM 1267 C GLN A 160 93.897 79.367 12.326 1.00 23.12 C ATOM 1268 O GLN A 160 93.488 78.527 11.526 1.00 27.13 O ATOM 1269 CB GLN A 160 92.669 81.546 12.259 1.00 24.36 C ATOM 1270 CG GLN A 160 91.963 81.320 10.925 1.00 25.89 C ATOM 1271 CD GLN A 160 90.572 80.733 11.088 1.00 28.60 C ATOM 1272 OE1 GLN A 160 89.722 81.307 11.768 1.00 32.61 O ATOM 1273 NE2 GLN A 160 90.334 79.584 10.465 1.00 28.56 N ATOM 1274 HA GLN A 160 91.971 79.713 13.158 1.00 0.00 H ATOM 1275 HB2 GLN A 160 92.059 82.221 12.859 1.00 0.00 H ATOM 1276 HB3 GLN A 160 93.635 82.010 12.061 1.00 0.00 H ATOM 1277 HG2 GLN A 160 91.880 82.276 10.408 1.00 0.00 H ATOM 1278 HG3 GLN A 160 92.562 80.635 10.325 1.00 0.00 H ATOM 1279 HE22 GLN A 160 91.082 79.134 9.901 1.00 0.00 H ATOM 1280 HE21 GLN A 160 89.399 79.135 10.542 1.00 0.00 H ATOM 1281 H GLN A 160 93.633 81.553 14.650 1.00 0.00 H ATOM 1282 N GLU A 161 95.190 79.545 12.588 1.00 22.89 N ATOM 1283 CA GLU A 161 96.227 78.768 11.899 1.00 25.91 C ATOM 1284 C GLU A 161 96.078 77.276 12.162 1.00 24.14 C ATOM 1285 O GLU A 161 96.228 76.463 11.248 1.00 23.53 O ATOM 1286 CB GLU A 161 97.625 79.217 12.322 1.00 28.13 C ATOM 1287 CG GLU A 161 97.959 80.640 11.928 1.00 32.12 C ATOM 1288 CD GLU A 161 99.415 80.990 12.155 1.00 34.67 C ATOM 1289 OE1 GLU A 161 99.814 82.108 11.767 1.00 37.83 O ATOM 1290 OE2 GLU A 161 100.162 80.154 12.715 1.00 40.59 O ATOM 1291 HA GLU A 161 96.099 78.950 10.832 1.00 0.00 H ATOM 1292 HB2 GLU A 161 97.698 79.135 13.406 1.00 0.00 H ATOM 1293 HB3 GLU A 161 98.354 78.552 11.858 1.00 0.00 H ATOM 1294 HG2 GLU A 161 97.731 80.771 10.870 1.00 0.00 H ATOM 1295 HG3 GLU A 161 97.342 81.318 12.518 1.00 0.00 H ATOM 1296 H GLU A 161 95.472 80.251 13.298 1.00 0.00 H ATOM 1297 N TYR A 162 95.795 76.932 13.417 1.00 23.57 N ATOM 1298 CA TYR A 162 95.549 75.549 13.822 1.00 24.46 C ATOM 1299 C TYR A 162 94.376 74.952 13.043 1.00 24.24 C ATOM 1300 O TYR A 162 94.476 73.851 12.506 1.00 24.41 O ATOM 1301 CB TYR A 162 95.273 75.482 15.331 1.00 25.11 C ATOM 1302 CG TYR A 162 94.907 74.103 15.832 1.00 24.37 C ATOM 1303 CD1 TYR A 162 95.889 73.196 16.205 1.00 26.00 C ATOM 1304 CD2 TYR A 162 93.576 73.704 15.918 1.00 24.95 C ATOM 1305 CE1 TYR A 162 95.556 71.920 16.655 1.00 26.54 C ATOM 1306 CE2 TYR A 162 93.234 72.440 16.371 1.00 25.71 C ATOM 1307 CZ TYR A 162 94.228 71.551 16.734 1.00 26.11 C ATOM 1308 OH TYR A 162 93.882 70.296 17.176 1.00 26.93 O ATOM 1309 HA TYR A 162 96.440 74.963 13.597 1.00 0.00 H ATOM 1310 HB3 TYR A 162 94.450 76.159 15.559 1.00 0.00 H ATOM 1311 HB2 TYR A 162 96.169 75.811 15.858 1.00 0.00 H ATOM 1312 HD2 TYR A 162 92.789 74.398 15.624 1.00 0.00 H ATOM 1313 HE2 TYR A 162 92.186 72.148 16.441 1.00 0.00 H ATOM 1314 HE1 TYR A 162 96.339 71.218 16.943 1.00 0.00 H ATOM 1315 HD1 TYR A 162 96.938 73.487 16.145 1.00 0.00 H ATOM 1316 HH TYR A 162 94.702 69.786 17.394 1.00 0.00 H ATOM 1317 H TYR A 162 95.747 77.679 14.139 1.00 0.00 H ATOM 1318 N ILE A 163 93.274 75.692 12.977 1.00 24.60 N ATOM 1319 CA ILE A 163 92.067 75.234 12.284 1.00 25.24 C ATOM 1320 C ILE A 163 92.350 75.056 10.788 1.00 26.50 C ATOM 1321 O ILE A 163 91.981 74.043 10.193 1.00 27.37 O ATOM 1322 CB ILE A 163 90.882 76.218 12.482 1.00 25.68 C ATOM 1323 CG1 ILE A 163 90.546 76.374 13.969 1.00 25.54 C ATOM 1324 CG2 ILE A 163 89.648 75.734 11.734 1.00 25.92 C ATOM 1325 CD1 ILE A 163 89.504 77.445 14.258 1.00 26.60 C ATOM 1326 HA ILE A 163 91.784 74.275 12.718 1.00 0.00 H ATOM 1327 HB ILE A 163 91.186 77.185 12.082 1.00 0.00 H ATOM 1328 HG12 ILE A 163 90.169 75.420 14.338 1.00 0.00 H ATOM 1329 HG13 ILE A 163 91.461 76.632 14.502 1.00 0.00 H ATOM 1330 HD11 ILE A 163 89.870 78.410 13.907 1.00 0.00 H ATOM 1331 HD12 ILE A 163 88.577 77.197 13.742 1.00 0.00 H ATOM 1332 HD13 ILE A 163 89.322 77.493 15.332 1.00 0.00 H ATOM 1333 HG21 ILE A 163 89.874 75.664 10.670 1.00 0.00 H ATOM 1334 HG22 ILE A 163 89.358 74.753 12.110 1.00 0.00 H ATOM 1335 HG23 ILE A 163 88.831 76.440 11.888 1.00 0.00 H ATOM 1336 H ILE A 163 93.268 76.627 13.432 1.00 0.00 H ATOM 1337 N ASN A 164 93.021 76.042 10.195 1.00 25.46 N ATOM 1338 CA ASN A 164 93.397 75.991 8.779 1.00 27.84 C ATOM 1339 C ASN A 164 94.270 74.785 8.429 1.00 29.41 C ATOM 1340 O ASN A 164 94.089 74.173 7.378 1.00 31.36 O ATOM 1341 CB ASN A 164 94.131 77.275 8.366 1.00 28.00 C ATOM 1342 CG ASN A 164 93.212 78.489 8.287 1.00 27.73 C ATOM 1343 OD1 ASN A 164 91.988 78.372 8.349 1.00 29.08 O ATOM 1344 ND2 ASN A 164 93.811 79.663 8.145 1.00 27.77 N ATOM 1345 HA ASN A 164 92.462 75.894 8.227 1.00 0.00 H ATOM 1346 HB2 ASN A 164 94.913 77.478 9.097 1.00 0.00 H ATOM 1347 HB3 ASN A 164 94.583 77.117 7.387 1.00 0.00 H ATOM 1348 HD22 ASN A 164 94.849 79.715 8.097 1.00 0.00 H ATOM 1349 HD21 ASN A 164 93.243 80.532 8.081 1.00 0.00 H ATOM 1350 H ASN A 164 93.287 76.876 10.756 1.00 0.00 H ATOM 1351 N ASN A 165 95.217 74.458 9.306 1.00 30.85 N ATOM 1352 CA ASN A 165 96.140 73.347 9.063 1.00 33.75 C ATOM 1353 C ASN A 165 95.446 71.984 9.074 1.00 35.85 C ATOM 1354 O ASN A 165 95.843 71.080 8.340 1.00 35.68 O ATOM 1355 CB ASN A 165 97.289 73.363 10.081 1.00 36.61 C ATOM 1356 CG ASN A 165 98.279 74.497 9.842 1.00 39.88 C ATOM 1357 OD1 ASN A 165 98.310 75.106 8.770 1.00 42.01 O ATOM 1358 ND2 ASN A 165 99.101 74.779 10.846 1.00 41.82 N ATOM 1359 HA ASN A 165 96.542 73.493 8.061 1.00 0.00 H ATOM 1360 HB2 ASN A 165 96.867 73.474 11.080 1.00 0.00 H ATOM 1361 HB3 ASN A 165 97.824 72.415 10.017 1.00 0.00 H ATOM 1362 HD22 ASN A 165 99.041 74.241 11.734 1.00 0.00 H ATOM 1363 HD21 ASN A 165 99.804 75.538 10.745 1.00 0.00 H ATOM 1364 H ASN A 165 95.304 75.005 10.186 1.00 0.00 H ATOM 1365 N ILE A 166 94.410 71.845 9.900 1.00 37.10 N ATOM 1366 CA ILE A 166 93.620 70.612 9.955 1.00 38.66 C ATOM 1367 C ILE A 166 92.800 70.428 8.672 1.00 41.29 C ATOM 1368 O ILE A 166 92.574 69.300 8.235 1.00 43.13 O ATOM 1369 CB ILE A 166 92.725 70.577 11.215 1.00 38.32 C ATOM 1370 CG1 ILE A 166 93.608 70.462 12.460 1.00 38.40 C ATOM 1371 CG2 ILE A 166 91.746 69.404 11.175 1.00 37.94 C ATOM 1372 CD1 ILE A 166 92.857 70.448 13.743 1.00 39.26 C ATOM 1373 HA ILE A 166 94.311 69.772 10.026 1.00 0.00 H ATOM 1374 HB ILE A 166 92.145 71.500 11.246 1.00 0.00 H ATOM 1375 HG12 ILE A 166 94.180 69.537 12.389 1.00 0.00 H ATOM 1376 HG13 ILE A 166 94.292 71.311 12.474 1.00 0.00 H ATOM 1377 HD11 ILE A 166 92.287 71.372 13.839 1.00 0.00 H ATOM 1378 HD12 ILE A 166 92.176 69.597 13.755 1.00 0.00 H ATOM 1379 HD13 ILE A 166 93.559 70.364 14.573 1.00 0.00 H ATOM 1380 HG21 ILE A 166 91.105 69.497 10.298 1.00 0.00 H ATOM 1381 HG22 ILE A 166 92.303 68.469 11.121 1.00 0.00 H ATOM 1382 HG23 ILE A 166 91.134 69.412 12.077 1.00 0.00 H ATOM 1383 H ILE A 166 94.154 72.636 10.525 1.00 0.00 H ATOM 1384 N HIS A 167 92.380 71.536 8.064 1.00 43.30 N ATOM 1385 CA HIS A 167 91.763 71.511 6.734 1.00 43.61 C ATOM 1386 C HIS A 167 92.803 71.804 5.655 1.00 45.08 C ATOM 1387 O HIS A 167 92.525 71.686 4.461 1.00 46.17 O ATOM 1388 CB HIS A 167 90.620 72.526 6.649 1.00 45.15 C ATOM 1389 CG HIS A 167 89.384 72.098 7.376 1.00 46.20 C ATOM 1390 ND1 HIS A 167 89.199 72.314 8.724 1.00 46.81 N ATOM 1391 CD2 HIS A 167 88.273 71.456 6.941 1.00 46.75 C ATOM 1392 CE1 HIS A 167 88.026 71.827 9.086 1.00 45.72 C ATOM 1393 NE2 HIS A 167 87.444 71.301 8.024 1.00 46.67 N ATOM 1394 HA HIS A 167 91.356 70.513 6.568 1.00 0.00 H ATOM 1395 HB2 HIS A 167 90.963 73.468 7.076 1.00 0.00 H ATOM 1396 HB3 HIS A 167 90.368 72.675 5.599 1.00 0.00 H ATOM 1397 HD2 HIS A 167 88.075 71.125 5.922 1.00 0.00 H ATOM 1398 HE1 HIS A 167 87.608 71.855 10.092 1.00 0.00 H ATOM 1399 H HIS A 167 92.493 72.449 8.549 1.00 0.00 H TER 1400 HIS A 167 HETATM 1401 ZN ZN A 1 82.543 73.886 19.488 1.00 26.00 ZN HETATM 1402 O HOH 2 90.366 68.963 31.606 1.00 17.31 O HETATM 1403 O HOH 3 92.342 68.761 24.595 1.00 21.21 O HETATM 1404 O HOH 4 86.557 76.469 29.176 1.00 20.98 O HETATM 1405 O HOH 5 77.258 62.992 31.777 1.00 21.61 O HETATM 1406 O HOH 6 75.817 75.171 34.843 1.00 17.49 O HETATM 1407 O HOH 7 79.508 60.158 32.464 1.00 18.23 O HETATM 1408 O HOH 8 93.364 58.501 29.958 1.00 15.45 O HETATM 1409 O HOH 9 91.950 60.064 32.193 1.00 27.71 O HETATM 1410 O HOH 10 81.499 74.807 11.819 1.00 29.20 O HETATM 1411 O HOH 11 74.775 82.592 25.013 1.00 23.74 O HETATM 1412 O HOH 12 92.705 67.505 22.217 1.00 21.91 O HETATM 1413 O HOH 13 79.738 76.508 33.588 1.00 26.20 O HETATM 1414 O HOH 14 79.562 80.236 29.557 1.00 30.55 O HETATM 1415 O HOH 15 85.063 58.465 37.326 1.00 26.54 O HETATM 1416 O HOH 16 86.182 62.671 34.999 1.00 33.59 O HETATM 1417 O HOH 17 86.383 54.199 30.874 1.00 22.55 O HETATM 1418 O HOH 18 86.799 76.876 32.211 1.00 22.32 O HETATM 1419 O HOH 19 94.843 57.908 25.926 1.00 33.71 O HETATM 1420 O HOH 20 90.147 84.072 12.185 1.00 39.83 O HETATM 1421 O HOH 21 86.963 75.269 35.335 1.00 23.04 O HETATM 1422 O HOH 22 86.089 79.056 14.141 1.00 27.46 O HETATM 1423 O HOH 23 80.390 79.360 17.246 1.00 27.68 O HETATM 1424 O HOH 24 96.672 78.632 15.689 1.00 19.58 O HETATM 1425 O HOH 25 84.393 79.133 28.878 1.00 32.89 O HETATM 1426 O HOH 26 89.586 52.572 29.007 1.00 28.09 O HETATM 1427 O HOH 27 75.597 83.736 27.346 1.00 36.26 O HETATM 1428 O HOH 28 94.141 52.106 16.037 1.00 55.83 O HETATM 1429 O HOH 29 91.336 83.301 18.199 1.00 19.75 O HETATM 1430 O HOH 30 97.014 75.952 18.806 1.00 36.19 O HETATM 1431 O HOH 31 96.298 69.306 24.228 1.00 45.33 O HETATM 1432 O HOH 32 78.721 55.167 19.874 1.00 45.37 O HETATM 1433 O HOH 33 94.255 70.194 26.036 1.00 26.28 O HETATM 1434 O HOH 34 76.820 76.248 37.248 1.00 20.00 O HETATM 1435 O HOH 35 78.304 55.591 28.566 1.00 32.69 O HETATM 1436 O HOH 36 96.294 61.163 20.135 1.00 43.39 O HETATM 1437 O HOH 37 86.088 59.798 10.895 1.00 41.94 O HETATM 1438 O HOH 38 85.547 57.216 11.796 1.00 45.63 O HETATM 1439 O HOH 39 88.326 70.459 37.461 1.00 34.14 O HETATM 1440 O HOH 40 88.962 77.377 28.278 1.00 26.24 O HETATM 1441 O HOH 41 96.097 49.872 18.804 1.00 45.52 O HETATM 1442 O HOH 42 95.683 68.992 18.595 1.00 26.38 O HETATM 1443 O HOH 43 86.368 59.782 34.236 1.00 36.73 O HETATM 1444 O HOH 44 79.793 77.532 36.180 1.00 42.59 O HETATM 1445 O HOH 45 84.663 56.598 33.670 1.00 40.45 O HETATM 1446 O HOH 46 96.872 80.126 8.594 1.00 57.16 O HETATM 1447 O HOH 47 87.430 69.587 39.614 1.00 36.73 O HETATM 1448 O HOH 48 88.633 86.546 13.711 1.00 47.67 O HETATM 1449 O HOH 49 79.873 68.645 10.971 1.00 40.49 O HETATM 1450 O HOH 50 84.512 83.368 22.434 1.00 49.71 O HETATM 1451 O HOH 51 73.105 57.192 17.863 1.00 51.67 O HETATM 1452 O HOH 52 76.209 56.606 34.149 1.00 40.20 O HETATM 1453 O HOH 53 96.706 72.101 13.101 1.00 34.82 O HETATM 1454 O HOH 54 89.481 71.284 35.136 1.00 39.27 O HETATM 1455 O HOH 55 97.355 75.814 21.503 1.00 35.49 O HETATM 1456 O HOH 56 83.213 75.626 37.848 1.00 35.46 O HETATM 1457 O HOH 57 92.572 65.005 36.068 1.00 27.20 O HETATM 1458 O HOH 58 74.956 54.602 27.497 1.00 36.11 O HETATM 1459 O HOH 59 92.502 54.261 16.404 1.00 42.74 O HETATM 1460 O HOH 60 92.209 79.118 26.258 1.00 36.18 O HETATM 1461 O HOH 61 90.298 77.241 26.089 1.00 30.33 O HETATM 1462 O HOH 62 73.566 66.195 17.309 1.00 47.31 O HETATM 1463 O HOH 63 92.256 68.602 33.414 1.00 34.50 O HETATM 1464 O HOH 64 96.109 67.807 22.001 1.00 43.18 O HETATM 1465 O HOH 65 90.541 61.406 35.571 1.00 29.30 O HETATM 1466 O HOH 66 92.073 67.653 36.076 1.00 35.36 O HETATM 1467 O HOH 67 73.298 62.670 31.305 1.00 31.45 O HETATM 1468 O HOH 68 102.231 81.243 10.908 1.00 42.35 O HETATM 1469 O HOH 69 94.009 69.030 29.393 1.00 40.83 O HETATM 1470 O HOH 70 78.344 82.661 29.328 1.00 33.69 O HETATM 1471 O HOH 71 92.154 74.529 29.423 1.00 36.19 O HETATM 1472 O HOH 72 79.303 68.340 35.791 1.00 30.74 O HETATM 1473 O HOH 73 77.514 79.066 19.043 1.00 40.31 O HETATM 1474 O HOH 74 77.013 59.084 32.627 1.00 32.35 O HETATM 1475 O HOH 75 75.982 78.643 34.867 1.00 37.61 O HETATM 1476 O HOH 76 90.737 74.714 27.044 1.00 36.79 O HETATM 1477 O HOH 77 93.213 71.763 30.608 1.00 33.02 O HETATM 1478 O HOH 78 89.523 76.356 32.162 1.00 34.22 O HETATM 1479 O HOH 79 87.579 78.385 10.507 1.00 33.08 O HETATM 1480 O HOH 80 82.993 73.774 39.725 1.00 36.59 O HETATM 1481 O HOH 81 95.745 63.202 21.707 1.00 38.77 O HETATM 1482 O HOH 82 79.133 52.684 35.915 1.00 36.87 O HETATM 1483 O HOH 83 93.019 59.870 22.524 1.00 23.94 O HETATM 1484 O HOH 84 90.290 59.255 34.168 1.00 43.93 O HETATM 1485 O HOH 85 73.819 70.438 17.147 1.00 42.67 O HETATM 1486 O HOH 86 92.243 82.251 7.269 1.00 48.32 O HETATM 1487 O HOH 87 80.938 53.524 31.085 1.00 39.05 O HETATM 1488 O HOH 88 92.159 49.773 24.668 1.00 43.13 O HETATM 1489 O HOH 89 84.191 50.785 29.441 1.00 40.74 O HETATM 1490 O HOH 90 82.076 80.497 28.682 1.00 44.67 O HETATM 1491 O HOH 91 82.392 81.226 26.063 1.00 42.74 O HETATM 1492 O HOH 92 81.378 83.903 25.259 1.00 40.19 O HETATM 1493 O HOH 93 79.761 77.363 15.121 1.00 42.63 O HETATM 1494 O HOH 94 96.483 70.570 20.623 1.00 43.57 O HETATM 1495 O HOH 95 72.582 69.657 26.474 1.00 15.89 O HETATM 1496 O HOH 96 91.990 62.870 16.020 1.00 22.52 O HETATM 1497 O HOH 97 83.636 54.378 20.094 1.00 27.28 O HETATM 1498 O HOH 98 89.253 52.296 18.602 1.00 33.05 O HETATM 1499 O HOH 99 76.406 67.963 15.665 1.00 31.30 O HETATM 1500 O HOH 100 84.180 56.411 14.076 1.00 34.91 O HETATM 1501 O HOH 101 84.820 81.259 24.145 1.00 37.72 O HETATM 1502 O HOH 102 75.781 65.312 16.135 1.00 36.87 O HETATM 1503 O HOH 103 72.826 62.006 24.059 1.00 31.74 O HETATM 1504 O HOH 104 87.322 61.927 11.993 1.00 38.03 O HETATM 1505 O HOH 105 92.604 57.890 16.318 1.00 39.72 O HETATM 1506 O HOH 106 87.348 53.156 20.644 1.00 47.31 O HETATM 1507 O HOH 107 76.380 72.360 15.419 1.00 50.64 O HETATM 1508 O HOH 108 72.253 73.392 17.475 1.00 38.22 O HETATM 1509 O HOH 109 95.862 67.546 30.430 1.00 43.37 O HETATM 1510 O16 UNN A 110 80.433 61.756 15.427 1.00 -0.39 O HETATM 1511 C15 UNN A 110 80.770 62.138 14.293 1.00 0.21 C HETATM 1512 C8 UNN A 110 81.975 61.385 13.666 1.00 0.13 C HETATM 1513 C9 UNN A 110 81.529 60.276 12.667 1.00 -0.00 C HETATM 1514 C14 UNN A 110 82.682 59.636 11.834 1.00 -0.05 C HETATM 1515 C13 UNN A 110 82.155 58.561 10.856 1.00 -0.05 C HETATM 1516 C12 UNN A 110 81.387 57.457 11.618 1.00 -0.05 C HETATM 1517 C11 UNN A 110 80.220 58.042 12.446 1.00 -0.05 C HETATM 1518 C10 UNN A 110 80.694 59.170 13.393 1.00 -0.05 C HETATM 1519 H11 UNN A 110 79.809 59.641 13.845 1.00 0.03 H HETATM 1520 H12 UNN A 110 81.317 58.724 14.183 1.00 0.03 H HETATM 1521 H9 UNN A 110 79.772 57.237 13.047 1.00 0.03 H HETATM 1522 H10 UNN A 110 79.465 58.449 11.758 1.00 0.03 H HETATM 1523 H7 UNN A 110 82.083 56.942 12.297 1.00 0.03 H HETATM 1524 H8 UNN A 110 80.983 56.737 10.891 1.00 0.03 H HETATM 1525 H5 UNN A 110 83.005 58.108 10.325 1.00 0.03 H HETATM 1526 H6 UNN A 110 81.479 59.035 10.129 1.00 0.03 H HETATM 1527 H3 UNN A 110 83.402 59.169 12.522 1.00 0.03 H HETATM 1528 H4 UNN A 110 83.186 60.426 11.257 1.00 0.03 H HETATM 1529 H2 UNN A 110 80.859 60.764 11.944 1.00 0.03 H HETATM 1530 N7 UNN A 110 82.915 60.859 14.679 1.00 -0.26 N HETATM 1531 C5 UNN A 110 84.237 61.041 14.609 1.00 0.23 C HETATM 1532 O6 UNN A 110 84.801 61.534 13.632 1.00 -0.39 O HETATM 1533 C3 UNN A 110 85.063 60.550 15.817 1.00 0.06 C HETATM 1534 C4 UNN A 110 85.036 61.546 16.997 1.00 -0.00 C HETATM 1535 H15 UNN A 110 85.638 61.148 17.827 1.00 0.03 H HETATM 1536 H16 UNN A 110 83.998 61.689 17.332 1.00 0.03 H HETATM 1537 H17 UNN A 110 85.453 62.511 16.672 1.00 0.03 H HETATM 1538 N2 UNN A 110 86.427 60.184 15.340 1.00 0.24 N HETATM 1539 C1 UNN A 110 86.595 58.997 14.465 1.00 -0.04 C HETATM 1540 H20 UNN A 110 87.658 58.876 14.211 1.00 0.08 H HETATM 1541 H21 UNN A 110 86.011 59.136 13.543 1.00 0.08 H HETATM 1542 H22 UNN A 110 86.240 58.099 14.992 1.00 0.08 H HETATM 1543 H18 UNN A 110 86.993 60.028 16.159 1.00 0.20 H HETATM 1544 H19 UNN A 110 86.784 60.978 14.831 1.00 0.20 H HETATM 1545 H14 UNN A 110 84.592 59.626 16.184 1.00 0.11 H HETATM 1546 H13 UNN A 110 82.544 60.344 15.452 1.00 0.19 H HETATM 1547 H1 UNN A 110 82.533 62.130 13.079 1.00 0.08 H HETATM 1548 N17 UNN A 110 80.085 63.136 13.671 1.00 -0.25 N HETATM 1549 C21 UNN A 110 80.405 63.765 12.376 1.00 0.04 C HETATM 1550 C20 UNN A 110 79.753 65.137 12.513 1.00 -0.03 C HETATM 1551 C19 UNN A 110 78.479 64.837 13.298 1.00 -0.01 C HETATM 1552 C18 UNN A 110 78.872 63.713 14.276 1.00 0.12 C HETATM 1553 C22 UNN A 110 77.728 62.735 14.576 1.00 0.12 C HETATM 1554 N26 UNN A 110 77.068 62.760 15.746 1.00 -0.30 N HETATM 1555 C25 UNN A 110 76.104 61.773 15.762 1.00 0.03 C HETATM 1556 C30 UNN A 110 75.204 61.499 16.820 1.00 -0.01 C HETATM 1557 C29 UNN A 110 74.291 60.425 16.621 1.00 -0.06 C HETATM 1558 C28 UNN A 110 74.273 59.676 15.440 1.00 -0.07 C HETATM 1559 C27 UNN A 110 75.160 59.952 14.406 1.00 -0.05 C HETATM 1560 C24 UNN A 110 76.083 61.019 14.586 1.00 0.05 C HETATM 1561 S23 UNN A 110 77.266 61.522 13.444 1.00 0.01 S HETATM 1562 H32 UNN A 110 75.149 59.372 13.490 1.00 0.06 H HETATM 1563 H31 UNN A 110 73.558 58.869 15.329 1.00 0.06 H HETATM 1564 H30 UNN A 110 73.588 60.180 17.409 1.00 0.06 H HETATM 1565 C31 UNN A 110 75.210 62.232 18.022 1.00 -0.02 C HETATM 1566 C36 UNN A 110 76.428 62.549 18.686 1.00 -0.06 C HETATM 1567 C35 UNN A 110 76.444 63.273 19.879 1.00 -0.06 C HETATM 1568 C34 UNN A 110 75.247 63.692 20.450 1.00 -0.06 C HETATM 1569 C33 UNN A 110 74.038 63.399 19.831 1.00 -0.06 C HETATM 1570 C32 UNN A 110 74.010 62.679 18.636 1.00 -0.06 C HETATM 1571 H37 UNN A 110 73.057 62.457 18.169 1.00 0.06 H HETATM 1572 H36 UNN A 110 73.109 63.732 20.280 1.00 0.06 H HETATM 1573 H35 UNN A 110 75.257 64.249 21.380 1.00 0.06 H HETATM 1574 H34 UNN A 110 77.387 63.508 20.359 1.00 0.06 H HETATM 1575 H33 UNN A 110 77.367 62.220 18.255 1.00 0.06 H HETATM 1576 H29 UNN A 110 79.151 64.165 15.239 1.00 0.08 H HETATM 1577 H27 UNN A 110 77.678 64.500 12.623 1.00 0.03 H HETATM 1578 H28 UNN A 110 78.144 65.729 13.848 1.00 0.03 H HETATM 1579 H25 UNN A 110 79.518 65.563 11.527 1.00 0.03 H HETATM 1580 H26 UNN A 110 80.404 65.830 13.066 1.00 0.03 H HETATM 1581 H23 UNN A 110 79.970 63.199 11.539 1.00 0.05 H HETATM 1582 H24 UNN A 110 81.492 63.853 12.233 1.00 0.05 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 1510 1511 CONECT 1511 1510 1512 1548 CONECT 1512 1511 1513 1530 1547 CONECT 1513 1512 1514 1518 1529 CONECT 1514 1513 1515 1527 1528 CONECT 1515 1514 1516 1525 1526 CONECT 1516 1515 1517 1523 1524 CONECT 1517 1516 1518 1521 1522 CONECT 1518 1513 1517 1519 1520 CONECT 1519 1518 CONECT 1520 1518 CONECT 1521 1517 CONECT 1522 1517 CONECT 1523 1516 CONECT 1524 1516 CONECT 1525 1515 CONECT 1526 1515 CONECT 1527 1514 CONECT 1528 1514 CONECT 1529 1513 CONECT 1530 1512 1531 1546 CONECT 1531 1530 1532 1533 CONECT 1532 1531 CONECT 1533 1531 1534 1538 1545 CONECT 1534 1533 1535 1536 1537 CONECT 1535 1534 CONECT 1536 1534 CONECT 1537 1534 CONECT 1538 1533 1539 1543 1544 CONECT 1539 1538 1540 1541 1542 CONECT 1540 1539 CONECT 1541 1539 CONECT 1542 1539 CONECT 1543 1538 CONECT 1544 1538 CONECT 1545 1533 CONECT 1546 1530 CONECT 1547 1512 CONECT 1548 1511 1549 1552 CONECT 1549 1548 1550 1581 1582 CONECT 1550 1549 1551 1579 1580 CONECT 1551 1550 1552 1577 1578 CONECT 1552 1548 1551 1553 1576 CONECT 1553 1552 1554 1561 CONECT 1554 1553 1555 CONECT 1555 1554 1556 1560 CONECT 1556 1555 1557 1565 CONECT 1557 1556 1558 1564 CONECT 1558 1557 1559 1563 CONECT 1559 1558 1560 1562 CONECT 1560 1555 1559 1561 CONECT 1561 1553 1560 CONECT 1562 1559 CONECT 1563 1558 CONECT 1564 1557 CONECT 1565 1556 1566 1570 CONECT 1566 1565 1567 1575 CONECT 1567 1566 1568 1574 CONECT 1568 1567 1569 1573 CONECT 1569 1568 1570 1572 CONECT 1570 1565 1569 1571 CONECT 1571 1570 CONECT 1572 1569 CONECT 1573 1568 CONECT 1574 1567 CONECT 1575 1566 CONECT 1576 1552 CONECT 1577 1551 CONECT 1578 1551 CONECT 1579 1550 CONECT 1580 1550 CONECT 1581 1549 CONECT 1582 1549 MASTER 0 0 0 0 0 0 0 0 1581 1 82 7 END
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Structure:
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Related entries of code: 3gta
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
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140aa, >1OXN_1|Chains... *
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3f7g
RCSB PDB
PDBbind
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3f7h
RCSB PDB
PDBbind
133aa, >3F7H_1|Chains... at 90%
3f7i
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PDBbind
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3gt9
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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
3gta
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
ML-IAP/XIAP chimera
Ligand Name
851
EC.Number
E.C.-.-.-.-
Resolution
1.7(Å)
Affinity (Kd/Ki/IC50)
Ki=53uM
Release Year
2010
Protein/NA Sequence
Check fasta file
Primary Reference
(2010) Bioorg.Med.Chem.Lett. Vol. 20: pp. 2229-2233
Ligand Properties
Formula
C
2
9
H
3
7
N
4
O
2
S
Molecular Weight
505.695
Exact Mass
505.264
No. of atoms
73
No. of bonds
77
Polar Surface Area
107.15
LOGP Value
5.61 (
Computed with XLOGP3
)
4.60 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 5
Canonical SMILES
C[NH2+][C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1c1sc2c(n1)c(ccc2)c1ccccc1)C1CCCCC1)C
InChI String
InChI=1S/C29H36N4O2S/c1-19(30-2)27(34)31-25(21-13-7-4-8-14-21)29(35)33-18-10-16-23(33)28-32-26-22(15-9-17-24(26)36-28)20-11-5-3-6-12-20/h3,5-6,9,11-12,15,17,19,21,23,25,30H,4,7-8,10,13-14,16,18H2,1-2H3,(H,31,34)/p+1/t19-,23-,25-/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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