Browse entries in the PDBbind-CN Database
HEADER 2I3H_COMPLEX COMPND 2I3H_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 ALA A 209 67 ATOM 1 N GLY A 78 77.555 84.451 21.626 1.00 17.93 N ATOM 2 CA GLY A 78 77.651 83.763 22.947 1.00 15.04 C ATOM 3 C GLY A 78 77.501 82.260 22.814 1.00 12.98 C ATOM 4 O GLY A 78 77.114 81.769 21.753 1.00 14.61 O ATOM 5 HA3 GLY A 78 76.863 84.140 23.599 1.00 0.00 H ATOM 6 HA2 GLY A 78 78.623 83.983 23.389 1.00 0.00 H ATOM 7 HN3 GLY A 78 76.628 84.252 21.200 1.00 0.00 H ATOM 8 HN2 GLY A 78 78.308 84.102 20.999 1.00 0.00 H ATOM 9 HN1 GLY A 78 77.663 85.476 21.762 1.00 0.00 H ATOM 10 N PRO A 79 77.799 81.525 23.882 1.00 9.77 N ATOM 11 CA PRO A 79 77.726 80.056 23.846 1.00 7.90 C ATOM 12 C PRO A 79 76.296 79.536 23.716 1.00 5.73 C ATOM 13 O PRO A 79 75.351 80.140 24.230 1.00 4.78 O ATOM 14 CB PRO A 79 78.345 79.617 25.180 1.00 8.65 C ATOM 15 CG PRO A 79 78.502 80.837 26.014 1.00 10.89 C ATOM 16 CD PRO A 79 78.209 82.037 25.199 1.00 11.18 C ATOM 17 HA PRO A 79 78.246 79.656 22.976 1.00 0.00 H ATOM 18 HD3 PRO A 79 77.404 82.618 25.650 1.00 0.00 H ATOM 19 HD2 PRO A 79 79.098 82.661 25.106 1.00 0.00 H ATOM 20 HG3 PRO A 79 79.525 80.892 26.387 1.00 0.00 H ATOM 21 HG2 PRO A 79 77.811 80.793 26.856 1.00 0.00 H ATOM 22 HB2 PRO A 79 77.689 78.904 25.680 1.00 0.00 H ATOM 23 HB3 PRO A 79 79.317 79.155 25.007 1.00 0.00 H ATOM 24 N ALA A 80 76.160 78.409 23.029 1.00 4.84 N ATOM 25 CA ALA A 80 74.878 77.718 22.881 1.00 4.67 C ATOM 26 C ALA A 80 74.361 77.243 24.240 1.00 4.29 C ATOM 27 O ALA A 80 73.158 77.271 24.499 1.00 3.64 O ATOM 28 CB ALA A 80 75.049 76.532 21.957 1.00 5.70 C ATOM 29 HA ALA A 80 74.152 78.412 22.458 1.00 0.00 H ATOM 30 HB1 ALA A 80 75.390 76.879 20.982 1.00 0.00 H ATOM 31 HB2 ALA A 80 75.785 75.848 22.379 1.00 0.00 H ATOM 32 HB3 ALA A 80 74.094 76.018 21.847 1.00 0.00 H ATOM 33 H ALA A 80 77.001 77.999 22.576 1.00 0.00 H ATOM 34 N PHE A 81 75.292 76.818 25.092 1.00 3.43 N ATOM 35 CA PHE A 81 74.994 76.206 26.390 1.00 4.40 C ATOM 36 C PHE A 81 75.945 76.809 27.433 1.00 4.88 C ATOM 37 O PHE A 81 76.940 76.190 27.805 1.00 5.64 O ATOM 38 CB PHE A 81 75.180 74.692 26.267 1.00 4.38 C ATOM 39 CG PHE A 81 74.741 73.884 27.478 1.00 5.34 C ATOM 40 CD1 PHE A 81 74.266 74.476 28.643 1.00 6.06 C ATOM 41 CD2 PHE A 81 74.822 72.501 27.433 1.00 7.13 C ATOM 42 CE1 PHE A 81 73.872 73.701 29.733 1.00 5.98 C ATOM 43 CE2 PHE A 81 74.427 71.723 28.521 1.00 7.73 C ATOM 44 CZ PHE A 81 73.953 72.329 29.669 1.00 6.35 C ATOM 45 HA PHE A 81 73.968 76.400 26.701 1.00 0.00 H ATOM 46 HB2 PHE A 81 74.604 74.350 25.407 1.00 0.00 H ATOM 47 HB3 PHE A 81 76.238 74.495 26.096 1.00 0.00 H ATOM 48 HD2 PHE A 81 75.200 72.014 26.534 1.00 0.00 H ATOM 49 HE2 PHE A 81 74.492 70.636 28.466 1.00 0.00 H ATOM 50 HZ PHE A 81 73.645 71.722 30.520 1.00 0.00 H ATOM 51 HE1 PHE A 81 73.499 74.183 30.637 1.00 0.00 H ATOM 52 HD1 PHE A 81 74.201 75.562 28.705 1.00 0.00 H ATOM 53 H PHE A 81 76.290 76.927 24.820 1.00 0.00 H ATOM 54 N PRO A 82 75.654 78.023 27.899 1.00 5.89 N ATOM 55 CA PRO A 82 76.556 78.716 28.835 1.00 7.43 C ATOM 56 C PRO A 82 76.861 77.944 30.127 1.00 7.31 C ATOM 57 O PRO A 82 77.957 78.097 30.664 1.00 7.36 O ATOM 58 CB PRO A 82 75.821 80.028 29.153 1.00 8.23 C ATOM 59 CG PRO A 82 74.732 80.155 28.173 1.00 7.77 C ATOM 60 CD PRO A 82 74.481 78.837 27.543 1.00 6.58 C ATOM 61 HA PRO A 82 77.538 78.848 28.381 1.00 0.00 H ATOM 62 HD3 PRO A 82 73.568 78.390 27.937 1.00 0.00 H ATOM 63 HD2 PRO A 82 74.397 78.938 26.461 1.00 0.00 H ATOM 64 HG3 PRO A 82 75.014 80.877 27.407 1.00 0.00 H ATOM 65 HG2 PRO A 82 73.827 80.496 28.676 1.00 0.00 H ATOM 66 HB2 PRO A 82 75.414 79.995 30.164 1.00 0.00 H ATOM 67 HB3 PRO A 82 76.505 80.872 29.065 1.00 0.00 H ATOM 68 N GLY A 83 75.929 77.111 30.579 1.00 6.73 N ATOM 69 CA GLY A 83 76.078 76.348 31.811 1.00 8.19 C ATOM 70 C GLY A 83 77.210 75.333 31.796 1.00 9.21 C ATOM 71 O GLY A 83 77.641 74.877 32.852 1.00 10.98 O ATOM 72 HA3 GLY A 83 75.146 75.815 31.995 1.00 0.00 H ATOM 73 HA2 GLY A 83 76.261 77.049 32.625 1.00 0.00 H ATOM 74 H GLY A 83 75.054 76.999 30.028 1.00 0.00 H ATOM 75 N MET A 84 77.676 74.965 30.604 1.00 8.00 N ATOM 76 CA MET A 84 78.821 74.066 30.470 1.00 7.30 C ATOM 77 C MET A 84 80.087 74.807 30.019 1.00 6.62 C ATOM 78 O MET A 84 81.016 74.190 29.513 1.00 6.84 O ATOM 79 CB MET A 84 78.483 72.908 29.521 1.00 8.31 C ATOM 80 CG MET A 84 77.751 71.750 30.203 1.00 10.52 C ATOM 81 SD MET A 84 78.789 70.915 31.455 1.00 11.65 S ATOM 82 CE MET A 84 77.792 71.235 32.896 1.00 13.74 C ATOM 83 HA MET A 84 79.035 73.653 31.456 1.00 0.00 H ATOM 84 HB2 MET A 84 77.851 73.292 28.720 1.00 0.00 H ATOM 85 HB3 MET A 84 79.412 72.527 29.097 1.00 0.00 H ATOM 86 HG2 MET A 84 77.462 71.022 29.445 1.00 0.00 H ATOM 87 HG3 MET A 84 76.857 72.139 30.691 1.00 0.00 H ATOM 88 HE1 MET A 84 77.693 72.311 33.036 1.00 0.00 H ATOM 89 HE2 MET A 84 76.805 70.793 32.759 1.00 0.00 H ATOM 90 HE3 MET A 84 78.270 70.796 33.772 1.00 0.00 H ATOM 91 H MET A 84 77.213 75.327 29.746 1.00 0.00 H ATOM 92 N GLY A 85 80.135 76.119 30.243 1.00 6.09 N ATOM 93 CA GLY A 85 81.304 76.929 29.926 1.00 7.18 C ATOM 94 C GLY A 85 82.510 76.699 30.829 1.00 9.28 C ATOM 95 O GLY A 85 83.638 77.053 30.467 1.00 10.58 O ATOM 96 HA3 GLY A 85 81.019 77.978 30.002 1.00 0.00 H ATOM 97 HA2 GLY A 85 81.601 76.708 28.901 1.00 0.00 H ATOM 98 H GLY A 85 79.304 76.584 30.661 1.00 0.00 H ATOM 99 N SER A 86 82.283 76.092 31.991 1.00 8.42 N ATOM 100 CA SER A 86 83.355 75.796 32.944 1.00 7.47 C ATOM 101 C SER A 86 84.008 74.460 32.607 1.00 5.89 C ATOM 102 O SER A 86 83.327 73.436 32.535 1.00 5.37 O ATOM 103 CB SER A 86 82.797 75.758 34.372 1.00 9.06 C ATOM 104 OG SER A 86 83.678 75.085 35.256 1.00 9.07 O ATOM 105 HA SER A 86 84.106 76.583 32.877 1.00 0.00 H ATOM 106 HB2 SER A 86 81.838 75.240 34.364 1.00 0.00 H ATOM 107 HB3 SER A 86 82.654 76.780 34.724 1.00 0.00 H ATOM 108 HG SER A 86 83.289 75.078 36.166 1.00 0.00 H ATOM 109 H SER A 86 81.309 75.818 32.231 1.00 0.00 H ATOM 110 N GLU A 87 85.325 74.468 32.408 1.00 6.01 N ATOM 111 CA GLU A 87 86.065 73.244 32.097 1.00 6.85 C ATOM 112 C GLU A 87 85.902 72.206 33.204 1.00 6.47 C ATOM 113 O GLU A 87 85.806 71.012 32.923 1.00 6.12 O ATOM 114 CB GLU A 87 87.553 73.536 31.887 1.00 8.98 C ATOM 115 CG GLU A 87 88.350 72.334 31.390 1.00 10.24 C ATOM 116 CD GLU A 87 89.803 72.663 31.095 1.00 12.07 C ATOM 117 OE1 GLU A 87 90.150 73.858 31.038 1.00 14.25 O ATOM 118 OE2 GLU A 87 90.605 71.723 30.928 1.00 13.05 O ATOM 119 HA GLU A 87 85.650 72.843 31.172 1.00 0.00 H ATOM 120 HB2 GLU A 87 87.647 74.338 31.155 1.00 0.00 H ATOM 121 HB3 GLU A 87 87.977 73.862 32.837 1.00 0.00 H ATOM 122 HG2 GLU A 87 88.318 71.557 32.153 1.00 0.00 H ATOM 123 HG3 GLU A 87 87.886 71.963 30.476 1.00 0.00 H ATOM 124 H GLU A 87 85.841 75.368 32.475 1.00 0.00 H ATOM 125 N GLU A 88 85.863 72.662 34.452 1.00 6.90 N ATOM 126 CA GLU A 88 85.701 71.758 35.585 1.00 7.10 C ATOM 127 C GLU A 88 84.359 71.024 35.532 1.00 5.66 C ATOM 128 O GLU A 88 84.303 69.817 35.764 1.00 4.74 O ATOM 129 CB GLU A 88 85.847 72.506 36.909 1.00 9.67 C ATOM 130 CG GLU A 88 85.972 71.583 38.110 1.00 12.49 C ATOM 131 CD GLU A 88 86.370 72.319 39.374 1.00 16.16 C ATOM 132 OE1 GLU A 88 87.470 72.047 39.908 1.00 18.54 O ATOM 133 OE2 GLU A 88 85.579 73.169 39.831 1.00 17.80 O ATOM 134 HA GLU A 88 86.494 71.013 35.520 1.00 0.00 H ATOM 135 HB2 GLU A 88 86.739 73.130 36.858 1.00 0.00 H ATOM 136 HB3 GLU A 88 84.970 73.138 37.048 1.00 0.00 H ATOM 137 HG2 GLU A 88 85.011 71.096 38.277 1.00 0.00 H ATOM 138 HG3 GLU A 88 86.728 70.828 37.893 1.00 0.00 H ATOM 139 H GLU A 88 85.950 73.684 34.624 1.00 0.00 H ATOM 140 N LEU A 89 83.285 71.745 35.214 1.00 5.63 N ATOM 141 CA LEU A 89 81.968 71.119 35.088 1.00 5.35 C ATOM 142 C LEU A 89 81.961 70.118 33.933 1.00 5.49 C ATOM 143 O LEU A 89 81.402 69.025 34.047 1.00 6.12 O ATOM 144 CB LEU A 89 80.870 72.170 34.890 1.00 5.32 C ATOM 145 CG LEU A 89 80.602 73.163 36.025 1.00 6.32 C ATOM 146 CD1 LEU A 89 79.293 73.899 35.757 1.00 6.57 C ATOM 147 CD2 LEU A 89 80.576 72.504 37.380 1.00 6.57 C ATOM 148 HA LEU A 89 81.760 70.586 36.016 1.00 0.00 H ATOM 149 HB2 LEU A 89 81.135 72.752 34.008 1.00 0.00 H ATOM 150 HB3 LEU A 89 79.940 71.634 34.704 1.00 0.00 H ATOM 151 HG LEU A 89 81.428 73.874 36.046 1.00 0.00 H ATOM 152 HD21 LEU A 89 79.788 71.751 37.401 1.00 0.00 H ATOM 153 HD22 LEU A 89 81.539 72.030 37.571 1.00 0.00 H ATOM 154 HD23 LEU A 89 80.382 73.256 38.145 1.00 0.00 H ATOM 155 HD11 LEU A 89 79.367 74.437 34.812 1.00 0.00 H ATOM 156 HD12 LEU A 89 78.477 73.178 35.703 1.00 0.00 H ATOM 157 HD13 LEU A 89 79.103 74.605 36.565 1.00 0.00 H ATOM 158 H LEU A 89 83.384 72.768 35.053 1.00 0.00 H ATOM 159 N ARG A 90 82.603 70.473 32.824 1.00 5.32 N ATOM 160 CA ARG A 90 82.702 69.555 31.699 1.00 5.18 C ATOM 161 C ARG A 90 83.456 68.285 32.088 1.00 4.88 C ATOM 162 O ARG A 90 83.031 67.186 31.759 1.00 4.25 O ATOM 163 CB ARG A 90 83.370 70.234 30.504 1.00 5.46 C ATOM 164 CG ARG A 90 82.549 71.373 29.907 1.00 5.11 C ATOM 165 CD ARG A 90 82.962 71.745 28.485 1.00 5.39 C ATOM 166 NE ARG A 90 84.351 72.198 28.400 1.00 6.14 N ATOM 167 CZ ARG A 90 84.771 73.443 28.633 1.00 7.16 C ATOM 168 NH1 ARG A 90 83.923 74.404 28.969 1.00 7.11 N ATOM 169 NH2 ARG A 90 86.063 73.739 28.528 1.00 7.42 N ATOM 170 HA ARG A 90 81.690 69.269 31.411 1.00 0.00 H ATOM 171 HB2 ARG A 90 84.330 70.635 30.828 1.00 0.00 H ATOM 172 HB3 ARG A 90 83.534 69.485 29.729 1.00 0.00 H ATOM 173 HG2 ARG A 90 81.501 71.073 29.894 1.00 0.00 H ATOM 174 HG3 ARG A 90 82.666 72.252 30.541 1.00 0.00 H ATOM 175 HD2 ARG A 90 82.312 72.545 28.131 1.00 0.00 H ATOM 176 HD3 ARG A 90 82.841 70.870 27.846 1.00 0.00 H ATOM 177 HE ARG A 90 85.069 71.493 28.137 1.00 0.00 H ATOM 178 HH12 ARG A 90 84.272 75.367 29.146 1.00 0.00 H ATOM 179 HH11 ARG A 90 82.908 74.195 29.056 1.00 0.00 H ATOM 180 HH22 ARG A 90 86.391 74.709 28.710 1.00 0.00 H ATOM 181 HH21 ARG A 90 86.746 73.000 28.264 1.00 0.00 H ATOM 182 H ARG A 90 83.038 71.415 32.760 1.00 0.00 H ATOM 183 N LEU A 91 84.556 68.428 32.819 1.00 5.11 N ATOM 184 CA LEU A 91 85.330 67.261 33.235 1.00 5.51 C ATOM 185 C LEU A 91 84.502 66.341 34.130 1.00 5.59 C ATOM 186 O LEU A 91 84.538 65.119 33.980 1.00 5.44 O ATOM 187 CB LEU A 91 86.606 67.690 33.952 1.00 6.04 C ATOM 188 CG LEU A 91 87.571 66.569 34.347 1.00 7.39 C ATOM 189 CD1 LEU A 91 87.883 65.661 33.154 1.00 7.90 C ATOM 190 CD2 LEU A 91 88.844 67.175 34.910 1.00 9.48 C ATOM 191 HA LEU A 91 85.604 66.705 32.338 1.00 0.00 H ATOM 192 HB2 LEU A 91 87.143 68.374 33.295 1.00 0.00 H ATOM 193 HB3 LEU A 91 86.316 68.215 34.862 1.00 0.00 H ATOM 194 HG LEU A 91 87.099 65.952 35.111 1.00 0.00 H ATOM 195 HD21 LEU A 91 89.309 67.807 34.154 1.00 0.00 H ATOM 196 HD22 LEU A 91 88.602 67.774 35.788 1.00 0.00 H ATOM 197 HD23 LEU A 91 89.531 66.377 35.191 1.00 0.00 H ATOM 198 HD11 LEU A 91 86.959 65.213 32.789 1.00 0.00 H ATOM 199 HD12 LEU A 91 88.341 66.251 32.360 1.00 0.00 H ATOM 200 HD13 LEU A 91 88.571 64.875 33.467 1.00 0.00 H ATOM 201 H LEU A 91 84.869 69.380 33.098 1.00 0.00 H ATOM 202 N ALA A 92 83.754 66.936 35.058 1.00 5.62 N ATOM 203 CA ALA A 92 82.908 66.183 35.981 1.00 5.00 C ATOM 204 C ALA A 92 81.862 65.352 35.247 1.00 4.62 C ATOM 205 O ALA A 92 81.471 64.296 35.721 1.00 5.10 O ATOM 206 CB ALA A 92 82.230 67.117 36.969 1.00 5.80 C ATOM 207 HA ALA A 92 83.557 65.497 36.524 1.00 0.00 H ATOM 208 HB1 ALA A 92 82.988 67.652 37.541 1.00 0.00 H ATOM 209 HB2 ALA A 92 81.612 67.832 36.426 1.00 0.00 H ATOM 210 HB3 ALA A 92 81.605 66.535 37.647 1.00 0.00 H ATOM 211 H ALA A 92 83.773 67.973 35.128 1.00 0.00 H ATOM 212 N SER A 93 81.435 65.810 34.073 1.00 4.45 N ATOM 213 CA SER A 93 80.421 65.093 33.301 1.00 5.05 C ATOM 214 C SER A 93 80.905 63.729 32.799 1.00 3.99 C ATOM 215 O SER A 93 80.087 62.871 32.489 1.00 5.06 O ATOM 216 CB SER A 93 79.942 65.941 32.119 1.00 5.25 C ATOM 217 OG SER A 93 80.893 65.934 31.075 1.00 5.33 O ATOM 218 HA SER A 93 79.590 64.910 33.983 1.00 0.00 H ATOM 219 HB2 SER A 93 79.788 66.967 32.455 1.00 0.00 H ATOM 220 HB3 SER A 93 79.001 65.536 31.747 1.00 0.00 H ATOM 221 HG SER A 93 81.749 66.305 31.407 1.00 0.00 H ATOM 222 H SER A 93 81.830 66.695 33.697 1.00 0.00 H ATOM 223 N PHE A 94 82.222 63.531 32.757 1.00 4.36 N ATOM 224 CA PHE A 94 82.827 62.301 32.235 1.00 5.03 C ATOM 225 C PHE A 94 83.005 61.181 33.274 1.00 5.48 C ATOM 226 O PHE A 94 83.764 60.236 33.049 1.00 6.01 O ATOM 227 CB PHE A 94 84.179 62.635 31.581 1.00 5.32 C ATOM 228 CG PHE A 94 84.048 63.351 30.265 1.00 5.23 C ATOM 229 CD1 PHE A 94 83.809 62.645 29.095 1.00 7.07 C ATOM 230 CD2 PHE A 94 84.119 64.736 30.202 1.00 5.49 C ATOM 231 CE1 PHE A 94 83.659 63.309 27.878 1.00 6.33 C ATOM 232 CE2 PHE A 94 83.978 65.404 28.992 1.00 5.74 C ATOM 233 CZ PHE A 94 83.740 64.687 27.830 1.00 6.48 C ATOM 234 HA PHE A 94 82.124 61.905 31.502 1.00 0.00 H ATOM 235 HB2 PHE A 94 84.746 63.268 32.264 1.00 0.00 H ATOM 236 HB3 PHE A 94 84.722 61.704 31.415 1.00 0.00 H ATOM 237 HD2 PHE A 94 84.288 65.307 31.115 1.00 0.00 H ATOM 238 HE2 PHE A 94 84.054 66.491 28.957 1.00 0.00 H ATOM 239 HZ PHE A 94 83.617 65.209 26.881 1.00 0.00 H ATOM 240 HE1 PHE A 94 83.478 62.741 26.965 1.00 0.00 H ATOM 241 HD1 PHE A 94 83.738 61.558 29.127 1.00 0.00 H ATOM 242 H PHE A 94 82.849 64.282 33.110 1.00 0.00 H ATOM 243 N TYR A 95 82.297 61.250 34.396 1.00 5.81 N ATOM 244 CA TYR A 95 82.511 60.278 35.469 1.00 5.57 C ATOM 245 C TYR A 95 82.290 58.831 35.040 1.00 5.19 C ATOM 246 O TYR A 95 82.926 57.939 35.583 1.00 7.33 O ATOM 247 CB TYR A 95 81.663 60.604 36.697 1.00 5.51 C ATOM 248 CG TYR A 95 80.173 60.422 36.531 1.00 5.83 C ATOM 249 CD1 TYR A 95 79.577 59.185 36.741 1.00 5.75 C ATOM 250 CD2 TYR A 95 79.352 61.498 36.201 1.00 7.64 C ATOM 251 CE1 TYR A 95 78.210 59.016 36.613 1.00 7.54 C ATOM 252 CE2 TYR A 95 77.977 61.337 36.064 1.00 8.62 C ATOM 253 CZ TYR A 95 77.415 60.095 36.272 1.00 9.55 C ATOM 254 OH TYR A 95 76.055 59.912 36.146 1.00 12.43 O ATOM 255 HA TYR A 95 83.565 60.367 35.731 1.00 0.00 H ATOM 256 HB3 TYR A 95 81.846 61.645 36.964 1.00 0.00 H ATOM 257 HB2 TYR A 95 81.991 59.958 37.512 1.00 0.00 H ATOM 258 HD2 TYR A 95 79.794 62.482 36.048 1.00 0.00 H ATOM 259 HE2 TYR A 95 77.349 62.186 35.794 1.00 0.00 H ATOM 260 HE1 TYR A 95 77.761 58.037 36.780 1.00 0.00 H ATOM 261 HD1 TYR A 95 80.198 58.331 37.012 1.00 0.00 H ATOM 262 HH TYR A 95 75.832 58.965 36.330 1.00 0.00 H ATOM 263 H TYR A 95 81.586 62.000 34.513 1.00 0.00 H ATOM 264 N ASP A 96 81.389 58.609 34.083 1.00 5.74 N ATOM 265 CA ASP A 96 81.101 57.266 33.557 1.00 8.06 C ATOM 266 C ASP A 96 81.456 57.128 32.067 1.00 7.78 C ATOM 267 O ASP A 96 80.840 56.342 31.337 1.00 8.08 O ATOM 268 CB ASP A 96 79.622 56.926 33.789 1.00 11.19 C ATOM 269 CG ASP A 96 79.350 55.423 33.840 1.00 14.72 C ATOM 270 OD1 ASP A 96 80.219 54.644 34.288 1.00 14.74 O ATOM 271 OD2 ASP A 96 78.268 54.928 33.456 1.00 18.52 O ATOM 272 HA ASP A 96 81.731 56.559 34.097 1.00 0.00 H ATOM 273 HB2 ASP A 96 79.309 57.367 34.735 1.00 0.00 H ATOM 274 HB3 ASP A 96 79.036 57.357 32.977 1.00 0.00 H ATOM 275 H ASP A 96 80.868 59.420 33.692 1.00 0.00 H ATOM 276 N TRP A 97 82.467 57.876 31.632 1.00 5.70 N ATOM 277 CA TRP A 97 82.990 57.801 30.267 1.00 5.39 C ATOM 278 C TRP A 97 83.539 56.397 29.998 1.00 5.30 C ATOM 279 O TRP A 97 84.316 55.874 30.799 1.00 5.39 O ATOM 280 CB TRP A 97 84.084 58.858 30.101 1.00 4.47 C ATOM 281 CG TRP A 97 84.764 58.911 28.763 1.00 5.16 C ATOM 282 CD1 TRP A 97 86.076 58.639 28.505 1.00 5.47 C ATOM 283 CD2 TRP A 97 84.188 59.313 27.513 1.00 5.26 C ATOM 284 NE1 TRP A 97 86.349 58.829 27.170 1.00 5.18 N ATOM 285 CE2 TRP A 97 85.207 59.237 26.536 1.00 5.31 C ATOM 286 CE3 TRP A 97 82.910 59.726 27.112 1.00 5.51 C ATOM 287 CZ2 TRP A 97 84.993 59.562 25.190 1.00 4.80 C ATOM 288 CZ3 TRP A 97 82.696 60.038 25.767 1.00 5.86 C ATOM 289 CH2 TRP A 97 83.734 59.954 24.826 1.00 5.50 C ATOM 290 HA TRP A 97 82.195 57.995 29.547 1.00 0.00 H ATOM 291 HB2 TRP A 97 83.633 59.834 30.283 1.00 0.00 H ATOM 292 HB3 TRP A 97 84.848 58.666 30.854 1.00 0.00 H ATOM 293 HE1 TRP A 97 87.274 58.686 26.716 1.00 0.00 H ATOM 294 HD1 TRP A 97 86.804 58.317 29.250 1.00 0.00 H ATOM 295 HZ2 TRP A 97 85.800 59.505 24.460 1.00 0.00 H ATOM 296 HH2 TRP A 97 83.533 60.206 23.785 1.00 0.00 H ATOM 297 HZ3 TRP A 97 81.704 60.353 25.442 1.00 0.00 H ATOM 298 HE3 TRP A 97 82.099 59.802 27.836 1.00 0.00 H ATOM 299 H TRP A 97 82.907 58.547 32.294 1.00 0.00 H ATOM 300 N PRO A 98 83.120 55.770 28.899 1.00 6.02 N ATOM 301 CA PRO A 98 83.540 54.393 28.601 1.00 5.42 C ATOM 302 C PRO A 98 84.910 54.231 27.929 1.00 5.32 C ATOM 303 O PRO A 98 85.341 53.085 27.751 1.00 5.58 O ATOM 304 CB PRO A 98 82.442 53.913 27.646 1.00 6.25 C ATOM 305 CG PRO A 98 82.050 55.149 26.894 1.00 6.49 C ATOM 306 CD PRO A 98 82.176 56.278 27.885 1.00 6.62 C ATOM 307 HA PRO A 98 83.658 53.833 29.529 1.00 0.00 H ATOM 308 HD3 PRO A 98 82.571 57.173 27.403 1.00 0.00 H ATOM 309 HD2 PRO A 98 81.210 56.506 28.336 1.00 0.00 H ATOM 310 HG3 PRO A 98 81.024 55.068 26.536 1.00 0.00 H ATOM 311 HG2 PRO A 98 82.718 55.308 26.047 1.00 0.00 H ATOM 312 HB2 PRO A 98 82.824 53.151 26.967 1.00 0.00 H ATOM 313 HB3 PRO A 98 81.594 53.511 28.201 1.00 0.00 H ATOM 314 N LEU A 99 85.575 55.326 27.572 1.00 4.16 N ATOM 315 CA LEU A 99 86.800 55.261 26.768 1.00 4.89 C ATOM 316 C LEU A 99 87.975 56.019 27.402 1.00 4.36 C ATOM 317 O LEU A 99 88.704 56.723 26.723 1.00 4.26 O ATOM 318 CB LEU A 99 86.520 55.800 25.363 1.00 6.19 C ATOM 319 CG LEU A 99 85.533 54.988 24.513 1.00 7.63 C ATOM 320 CD1 LEU A 99 85.168 55.766 23.261 1.00 9.09 C ATOM 321 CD2 LEU A 99 86.098 53.636 24.154 1.00 8.68 C ATOM 322 HA LEU A 99 87.097 54.214 26.717 1.00 0.00 H ATOM 323 HB2 LEU A 99 86.120 56.809 25.466 1.00 0.00 H ATOM 324 HB3 LEU A 99 87.468 55.840 24.826 1.00 0.00 H ATOM 325 HG LEU A 99 84.632 54.820 25.103 1.00 0.00 H ATOM 326 HD21 LEU A 99 87.018 53.768 23.585 1.00 0.00 H ATOM 327 HD22 LEU A 99 86.310 53.078 25.066 1.00 0.00 H ATOM 328 HD23 LEU A 99 85.373 53.089 23.552 1.00 0.00 H ATOM 329 HD11 LEU A 99 84.706 56.712 23.544 1.00 0.00 H ATOM 330 HD12 LEU A 99 86.069 55.960 22.680 1.00 0.00 H ATOM 331 HD13 LEU A 99 84.467 55.183 22.664 1.00 0.00 H ATOM 332 H LEU A 99 85.216 56.255 27.872 1.00 0.00 H ATOM 333 N THR A 100 88.184 55.834 28.700 1.00 4.99 N ATOM 334 CA THR A 100 89.171 56.632 29.433 1.00 7.43 C ATOM 335 C THR A 100 90.580 56.565 28.818 1.00 5.52 C ATOM 336 O THR A 100 91.192 57.602 28.544 1.00 6.31 O ATOM 337 CB THR A 100 89.182 56.204 30.917 1.00 13.02 C ATOM 338 OG1 THR A 100 87.958 56.640 31.532 1.00 16.07 O ATOM 339 CG2 THR A 100 90.270 56.934 31.701 1.00 14.23 C ATOM 340 HA THR A 100 88.870 57.677 29.359 1.00 0.00 H ATOM 341 HB THR A 100 89.331 55.124 30.937 1.00 0.00 H ATOM 342 HG1 THR A 100 87.190 56.223 31.067 1.00 0.00 H ATOM 343 HG23 THR A 100 91.247 56.663 31.302 1.00 0.00 H ATOM 344 HG21 THR A 100 90.123 58.010 31.608 1.00 0.00 H ATOM 345 HG22 THR A 100 90.213 56.648 32.751 1.00 0.00 H ATOM 346 H THR A 100 87.637 55.109 29.206 1.00 0.00 H ATOM 347 N ALA A 101 91.075 55.354 28.585 1.00 4.57 N ATOM 348 CA ALA A 101 92.415 55.170 28.008 1.00 5.85 C ATOM 349 C ALA A 101 92.482 55.674 26.568 1.00 7.15 C ATOM 350 O ALA A 101 93.474 56.282 26.149 1.00 8.40 O ATOM 351 CB ALA A 101 92.830 53.706 28.069 1.00 6.73 C ATOM 352 HA ALA A 101 93.110 55.761 28.604 1.00 0.00 H ATOM 353 HB1 ALA A 101 92.845 53.377 29.108 1.00 0.00 H ATOM 354 HB2 ALA A 101 92.117 53.104 27.506 1.00 0.00 H ATOM 355 HB3 ALA A 101 93.824 53.593 27.637 1.00 0.00 H ATOM 356 H ALA A 101 90.502 54.518 28.816 1.00 0.00 H ATOM 357 N GLU A 102 91.403 55.448 25.827 1.00 6.84 N ATOM 358 CA GLU A 102 91.381 55.684 24.388 1.00 7.16 C ATOM 359 C GLU A 102 91.319 57.171 24.041 1.00 6.81 C ATOM 360 O GLU A 102 92.032 57.623 23.158 1.00 7.40 O ATOM 361 CB GLU A 102 90.205 54.926 23.753 1.00 8.43 C ATOM 362 CG GLU A 102 90.357 53.409 23.796 1.00 9.76 C ATOM 363 CD GLU A 102 89.750 52.749 25.032 1.00 10.94 C ATOM 364 OE1 GLU A 102 89.623 51.509 25.029 1.00 13.76 O ATOM 365 OE2 GLU A 102 89.402 53.442 26.013 1.00 8.78 O ATOM 366 HA GLU A 102 92.318 55.307 23.978 1.00 0.00 H ATOM 367 HB2 GLU A 102 89.293 55.196 24.286 1.00 0.00 H ATOM 368 HB3 GLU A 102 90.119 55.234 22.711 1.00 0.00 H ATOM 369 HG2 GLU A 102 89.872 52.992 22.914 1.00 0.00 H ATOM 370 HG3 GLU A 102 91.421 53.172 23.770 1.00 0.00 H ATOM 371 H GLU A 102 90.543 55.090 26.290 1.00 0.00 H ATOM 372 N VAL A 103 90.460 57.919 24.738 1.00 6.66 N ATOM 373 CA VAL A 103 90.346 59.366 24.579 1.00 5.99 C ATOM 374 C VAL A 103 90.138 59.976 25.972 1.00 5.65 C ATOM 375 O VAL A 103 89.044 59.877 26.531 1.00 6.37 O ATOM 376 CB VAL A 103 89.154 59.760 23.667 1.00 7.83 C ATOM 377 CG1 VAL A 103 89.164 61.260 23.384 1.00 9.13 C ATOM 378 CG2 VAL A 103 89.165 58.960 22.371 1.00 8.01 C ATOM 379 HA VAL A 103 91.255 59.740 24.107 1.00 0.00 H ATOM 380 HB VAL A 103 88.232 59.520 24.196 1.00 0.00 H ATOM 381 HG11 VAL A 103 89.085 61.806 24.324 1.00 0.00 H ATOM 382 HG12 VAL A 103 90.095 61.528 22.884 1.00 0.00 H ATOM 383 HG13 VAL A 103 88.320 61.513 22.743 1.00 0.00 H ATOM 384 HG21 VAL A 103 90.094 59.153 21.834 1.00 0.00 H ATOM 385 HG22 VAL A 103 89.091 57.897 22.601 1.00 0.00 H ATOM 386 HG23 VAL A 103 88.318 59.259 21.754 1.00 0.00 H ATOM 387 H VAL A 103 89.841 57.447 25.428 1.00 0.00 H ATOM 388 N PRO A 104 91.171 60.579 26.555 1.00 5.48 N ATOM 389 CA PRO A 104 91.069 61.078 27.940 1.00 5.24 C ATOM 390 C PRO A 104 89.993 62.147 28.155 1.00 5.50 C ATOM 391 O PRO A 104 89.941 63.115 27.390 1.00 4.85 O ATOM 392 CB PRO A 104 92.454 61.677 28.206 1.00 6.34 C ATOM 393 CG PRO A 104 93.353 61.038 27.215 1.00 7.22 C ATOM 394 CD PRO A 104 92.517 60.786 25.993 1.00 6.18 C ATOM 395 HA PRO A 104 90.778 60.271 28.612 1.00 0.00 H ATOM 396 HD3 PRO A 104 92.535 61.644 25.321 1.00 0.00 H ATOM 397 HD2 PRO A 104 92.860 59.900 25.458 1.00 0.00 H ATOM 398 HG3 PRO A 104 93.742 60.098 27.608 1.00 0.00 H ATOM 399 HG2 PRO A 104 94.184 61.702 26.975 1.00 0.00 H ATOM 400 HB2 PRO A 104 92.437 62.758 28.065 1.00 0.00 H ATOM 401 HB3 PRO A 104 92.780 61.449 29.221 1.00 0.00 H ATOM 402 N PRO A 105 89.152 61.988 29.177 1.00 5.81 N ATOM 403 CA PRO A 105 88.230 63.053 29.587 1.00 6.30 C ATOM 404 C PRO A 105 88.892 64.421 29.748 1.00 4.88 C ATOM 405 O PRO A 105 88.278 65.424 29.420 1.00 6.37 O ATOM 406 CB PRO A 105 87.711 62.548 30.932 1.00 7.98 C ATOM 407 CG PRO A 105 87.704 61.076 30.771 1.00 8.79 C ATOM 408 CD PRO A 105 88.957 60.769 29.984 1.00 7.65 C ATOM 409 HA PRO A 105 87.461 63.225 28.834 1.00 0.00 H ATOM 410 HD3 PRO A 105 89.805 60.599 30.648 1.00 0.00 H ATOM 411 HD2 PRO A 105 88.815 59.896 29.347 1.00 0.00 H ATOM 412 HG3 PRO A 105 86.818 60.753 30.224 1.00 0.00 H ATOM 413 HG2 PRO A 105 87.730 60.583 31.743 1.00 0.00 H ATOM 414 HB2 PRO A 105 88.374 62.848 31.743 1.00 0.00 H ATOM 415 HB3 PRO A 105 86.707 62.923 31.128 1.00 0.00 H ATOM 416 N GLU A 106 90.129 64.456 30.227 1.00 5.79 N ATOM 417 CA GLU A 106 90.827 65.713 30.457 1.00 6.32 C ATOM 418 C GLU A 106 90.976 66.493 29.157 1.00 6.72 C ATOM 419 O GLU A 106 90.783 67.707 29.133 1.00 6.36 O ATOM 420 CB GLU A 106 92.208 65.461 31.085 1.00 7.98 C ATOM 421 CG GLU A 106 92.170 65.129 32.574 1.00 10.23 C ATOM 422 CD GLU A 106 91.806 63.683 32.895 1.00 11.68 C ATOM 423 OE1 GLU A 106 91.677 63.384 34.103 1.00 13.98 O ATOM 424 OE2 GLU A 106 91.647 62.839 31.979 1.00 9.64 O ATOM 425 HA GLU A 106 90.232 66.306 31.151 1.00 0.00 H ATOM 426 HB2 GLU A 106 92.675 64.627 30.561 1.00 0.00 H ATOM 427 HB3 GLU A 106 92.813 66.357 30.950 1.00 0.00 H ATOM 428 HG2 GLU A 106 93.156 65.332 32.993 1.00 0.00 H ATOM 429 HG3 GLU A 106 91.434 65.778 33.048 1.00 0.00 H ATOM 430 H GLU A 106 90.613 63.561 30.444 1.00 0.00 H ATOM 431 N LEU A 107 91.304 65.783 28.078 1.00 6.47 N ATOM 432 CA LEU A 107 91.468 66.404 26.767 1.00 6.46 C ATOM 433 C LEU A 107 90.125 66.794 26.156 1.00 6.31 C ATOM 434 O LEU A 107 90.011 67.856 25.533 1.00 7.55 O ATOM 435 CB LEU A 107 92.231 65.467 25.821 1.00 7.45 C ATOM 436 CG LEU A 107 93.713 65.228 26.141 1.00 9.72 C ATOM 437 CD1 LEU A 107 94.363 64.438 25.009 1.00 11.07 C ATOM 438 CD2 LEU A 107 94.462 66.537 26.383 1.00 12.55 C ATOM 439 HA LEU A 107 92.047 67.317 26.906 1.00 0.00 H ATOM 440 HB2 LEU A 107 91.729 64.500 25.836 1.00 0.00 H ATOM 441 HB3 LEU A 107 92.173 65.890 24.818 1.00 0.00 H ATOM 442 HG LEU A 107 93.770 64.651 27.064 1.00 0.00 H ATOM 443 HD21 LEU A 107 94.401 67.159 25.490 1.00 0.00 H ATOM 444 HD22 LEU A 107 94.011 67.062 27.225 1.00 0.00 H ATOM 445 HD23 LEU A 107 95.507 66.320 26.606 1.00 0.00 H ATOM 446 HD11 LEU A 107 93.857 63.479 24.900 1.00 0.00 H ATOM 447 HD12 LEU A 107 94.280 65.002 24.080 1.00 0.00 H ATOM 448 HD13 LEU A 107 95.415 64.271 25.241 1.00 0.00 H ATOM 449 H LEU A 107 91.447 64.757 28.173 1.00 0.00 H ATOM 450 N LEU A 108 89.122 65.931 26.320 1.00 4.37 N ATOM 451 CA LEU A 108 87.774 66.222 25.844 1.00 5.57 C ATOM 452 C LEU A 108 87.214 67.489 26.496 1.00 6.11 C ATOM 453 O LEU A 108 86.718 68.379 25.805 1.00 6.64 O ATOM 454 CB LEU A 108 86.844 65.038 26.105 1.00 5.45 C ATOM 455 CG LEU A 108 87.077 63.858 25.157 1.00 6.96 C ATOM 456 CD1 LEU A 108 86.614 62.554 25.780 1.00 7.24 C ATOM 457 CD2 LEU A 108 86.366 64.100 23.840 1.00 7.81 C ATOM 458 HA LEU A 108 87.833 66.393 24.769 1.00 0.00 H ATOM 459 HB2 LEU A 108 87.000 64.695 27.128 1.00 0.00 H ATOM 460 HB3 LEU A 108 85.814 65.376 25.989 1.00 0.00 H ATOM 461 HG LEU A 108 88.148 63.776 24.971 1.00 0.00 H ATOM 462 HD21 LEU A 108 85.297 64.209 24.021 1.00 0.00 H ATOM 463 HD22 LEU A 108 86.753 65.010 23.382 1.00 0.00 H ATOM 464 HD23 LEU A 108 86.539 63.254 23.174 1.00 0.00 H ATOM 465 HD11 LEU A 108 87.169 62.376 26.701 1.00 0.00 H ATOM 466 HD12 LEU A 108 85.549 62.617 26.002 1.00 0.00 H ATOM 467 HD13 LEU A 108 86.793 61.736 25.082 1.00 0.00 H ATOM 468 H LEU A 108 89.305 65.027 26.800 1.00 0.00 H ATOM 469 N ALA A 109 87.313 67.576 27.820 1.00 6.59 N ATOM 470 CA ALA A 109 86.806 68.738 28.562 1.00 5.81 C ATOM 471 C ALA A 109 87.564 69.998 28.179 1.00 5.17 C ATOM 472 O ALA A 109 86.967 71.057 28.006 1.00 5.26 O ATOM 473 CB ALA A 109 86.914 68.507 30.053 1.00 7.05 C ATOM 474 HA ALA A 109 85.756 68.869 28.300 1.00 0.00 H ATOM 475 HB1 ALA A 109 86.328 67.630 30.327 1.00 0.00 H ATOM 476 HB2 ALA A 109 87.958 68.346 30.320 1.00 0.00 H ATOM 477 HB3 ALA A 109 86.533 69.380 30.583 1.00 0.00 H ATOM 478 H ALA A 109 87.762 66.799 28.345 1.00 0.00 H ATOM 479 N ALA A 110 88.882 69.892 28.047 1.00 4.88 N ATOM 480 CA ALA A 110 89.688 71.051 27.663 1.00 6.47 C ATOM 481 C ALA A 110 89.296 71.589 26.281 1.00 6.44 C ATOM 482 O ALA A 110 89.376 72.798 26.044 1.00 9.04 O ATOM 483 CB ALA A 110 91.165 70.727 27.709 1.00 6.53 C ATOM 484 HA ALA A 110 89.485 71.836 28.391 1.00 0.00 H ATOM 485 HB1 ALA A 110 91.439 70.431 28.722 1.00 0.00 H ATOM 486 HB2 ALA A 110 91.378 69.910 27.020 1.00 0.00 H ATOM 487 HB3 ALA A 110 91.738 71.608 27.419 1.00 0.00 H ATOM 488 H ALA A 110 89.345 68.977 28.218 1.00 0.00 H ATOM 489 N ALA A 111 88.843 70.695 25.401 1.00 6.51 N ATOM 490 CA ALA A 111 88.454 71.039 24.021 1.00 6.60 C ATOM 491 C ALA A 111 86.993 71.486 23.875 1.00 7.07 C ATOM 492 O ALA A 111 86.502 71.658 22.758 1.00 6.33 O ATOM 493 CB ALA A 111 88.740 69.874 23.093 1.00 6.82 C ATOM 494 HA ALA A 111 89.060 71.901 23.743 1.00 0.00 H ATOM 495 HB1 ALA A 111 89.805 69.644 23.118 1.00 0.00 H ATOM 496 HB2 ALA A 111 88.171 69.003 23.419 1.00 0.00 H ATOM 497 HB3 ALA A 111 88.448 70.140 22.077 1.00 0.00 H ATOM 498 H ALA A 111 88.760 69.704 25.704 1.00 0.00 H ATOM 499 N GLY A 112 86.316 71.697 25.005 1.00 6.99 N ATOM 500 CA GLY A 112 84.985 72.271 25.033 1.00 6.12 C ATOM 501 C GLY A 112 83.856 71.268 25.193 1.00 6.19 C ATOM 502 O GLY A 112 82.690 71.665 25.277 1.00 6.11 O ATOM 503 HA3 GLY A 112 84.829 72.810 24.098 1.00 0.00 H ATOM 504 HA2 GLY A 112 84.936 72.971 25.867 1.00 0.00 H ATOM 505 H GLY A 112 86.764 71.438 25.907 1.00 0.00 H ATOM 506 N PHE A 113 84.188 69.978 25.247 1.00 6.22 N ATOM 507 CA PHE A 113 83.175 68.918 25.223 1.00 5.75 C ATOM 508 C PHE A 113 82.751 68.453 26.607 1.00 5.85 C ATOM 509 O PHE A 113 83.564 68.387 27.519 1.00 6.45 O ATOM 510 CB PHE A 113 83.687 67.697 24.450 1.00 5.20 C ATOM 511 CG PHE A 113 84.042 67.988 23.012 1.00 5.36 C ATOM 512 CD1 PHE A 113 83.047 68.274 22.082 1.00 6.01 C ATOM 513 CD2 PHE A 113 85.359 67.969 22.588 1.00 6.28 C ATOM 514 CE1 PHE A 113 83.359 68.537 20.760 1.00 6.31 C ATOM 515 CE2 PHE A 113 85.682 68.234 21.255 1.00 7.53 C ATOM 516 CZ PHE A 113 84.679 68.517 20.344 1.00 7.22 C ATOM 517 HA PHE A 113 82.308 69.359 24.732 1.00 0.00 H ATOM 518 HB2 PHE A 113 84.577 67.320 24.954 1.00 0.00 H ATOM 519 HB3 PHE A 113 82.911 66.931 24.464 1.00 0.00 H ATOM 520 HD2 PHE A 113 86.152 67.745 23.301 1.00 0.00 H ATOM 521 HE2 PHE A 113 86.723 68.218 20.933 1.00 0.00 H ATOM 522 HZ PHE A 113 84.928 68.723 19.303 1.00 0.00 H ATOM 523 HE1 PHE A 113 82.566 68.760 20.046 1.00 0.00 H ATOM 524 HD1 PHE A 113 82.005 68.291 22.400 1.00 0.00 H ATOM 525 H PHE A 113 85.193 69.716 25.308 1.00 0.00 H ATOM 526 N PHE A 114 81.467 68.136 26.747 1.00 7.14 N ATOM 527 CA PHE A 114 80.951 67.417 27.913 1.00 6.51 C ATOM 528 C PHE A 114 80.323 66.103 27.452 1.00 6.07 C ATOM 529 O PHE A 114 79.925 65.966 26.299 1.00 6.62 O ATOM 530 CB PHE A 114 79.931 68.263 28.686 1.00 6.34 C ATOM 531 CG PHE A 114 78.730 68.686 27.868 1.00 5.80 C ATOM 532 CD1 PHE A 114 77.625 67.858 27.752 1.00 5.69 C ATOM 533 CD2 PHE A 114 78.709 69.912 27.218 1.00 7.09 C ATOM 534 CE1 PHE A 114 76.526 68.242 27.004 1.00 6.14 C ATOM 535 CE2 PHE A 114 77.606 70.299 26.469 1.00 7.18 C ATOM 536 CZ PHE A 114 76.515 69.465 26.366 1.00 6.33 C ATOM 537 HA PHE A 114 81.778 67.209 28.592 1.00 0.00 H ATOM 538 HB2 PHE A 114 79.578 67.680 29.537 1.00 0.00 H ATOM 539 HB3 PHE A 114 80.434 69.161 29.046 1.00 0.00 H ATOM 540 HD2 PHE A 114 79.568 70.578 27.296 1.00 0.00 H ATOM 541 HE2 PHE A 114 77.604 71.264 25.962 1.00 0.00 H ATOM 542 HZ PHE A 114 75.646 69.770 25.783 1.00 0.00 H ATOM 543 HE1 PHE A 114 75.667 67.577 26.919 1.00 0.00 H ATOM 544 HD1 PHE A 114 77.621 66.892 28.256 1.00 0.00 H ATOM 545 H PHE A 114 80.801 68.411 25.996 1.00 0.00 H ATOM 546 N HIS A 115 80.250 65.134 28.358 1.00 5.23 N ATOM 547 CA HIS A 115 79.627 63.846 28.076 1.00 5.65 C ATOM 548 C HIS A 115 78.112 63.956 28.229 1.00 6.20 C ATOM 549 O HIS A 115 77.623 64.387 29.274 1.00 5.90 O ATOM 550 CB HIS A 115 80.150 62.781 29.049 1.00 6.19 C ATOM 551 CG HIS A 115 79.787 61.372 28.677 1.00 7.21 C ATOM 552 ND1 HIS A 115 80.101 60.292 29.473 1.00 9.44 N ATOM 553 CD2 HIS A 115 79.139 60.866 27.603 1.00 7.86 C ATOM 554 CE1 HIS A 115 79.674 59.182 28.898 1.00 8.04 C ATOM 555 NE2 HIS A 115 79.083 59.503 27.764 1.00 7.10 N ATOM 556 HA HIS A 115 79.874 63.558 27.054 1.00 0.00 H ATOM 557 HB2 HIS A 115 81.237 62.856 29.085 1.00 0.00 H ATOM 558 HB3 HIS A 115 79.740 62.990 30.037 1.00 0.00 H ATOM 559 HD2 HIS A 115 78.736 61.435 26.765 1.00 0.00 H ATOM 560 HE1 HIS A 115 79.790 58.173 29.294 1.00 0.00 H ATOM 561 H HIS A 115 80.652 65.300 29.303 1.00 0.00 H ATOM 562 N THR A 116 77.368 63.537 27.208 1.00 6.81 N ATOM 563 CA THR A 116 75.902 63.491 27.313 1.00 7.36 C ATOM 564 C THR A 116 75.415 62.434 28.302 1.00 8.95 C ATOM 565 O THR A 116 74.303 62.531 28.813 1.00 10.47 O ATOM 566 CB THR A 116 75.230 63.234 25.940 1.00 8.09 C ATOM 567 OG1 THR A 116 75.601 61.941 25.440 1.00 8.55 O ATOM 568 CG2 THR A 116 75.704 64.217 24.887 1.00 9.52 C ATOM 569 HA THR A 116 75.611 64.475 27.681 1.00 0.00 H ATOM 570 HB THR A 116 74.157 63.327 26.108 1.00 0.00 H ATOM 571 HG1 THR A 116 76.584 61.900 25.333 1.00 0.00 H ATOM 572 HG23 THR A 116 75.455 65.231 25.200 1.00 0.00 H ATOM 573 HG21 THR A 116 76.784 64.127 24.768 1.00 0.00 H ATOM 574 HG22 THR A 116 75.213 63.997 23.939 1.00 0.00 H ATOM 575 H THR A 116 77.829 63.238 26.325 1.00 0.00 H ATOM 576 N GLY A 117 76.237 61.418 28.556 1.00 8.80 N ATOM 577 CA GLY A 117 75.862 60.293 29.396 1.00 9.39 C ATOM 578 C GLY A 117 75.412 59.088 28.591 1.00 10.13 C ATOM 579 O GLY A 117 75.207 58.013 29.152 1.00 11.60 O ATOM 580 HA3 GLY A 117 75.046 60.601 30.049 1.00 0.00 H ATOM 581 HA2 GLY A 117 76.722 60.007 30.002 1.00 0.00 H ATOM 582 H GLY A 117 77.188 61.430 28.135 1.00 0.00 H ATOM 583 N HIS A 118 75.261 59.265 27.279 1.00 10.00 N ATOM 584 CA HIS A 118 74.792 58.207 26.387 1.00 11.01 C ATOM 585 C HIS A 118 75.920 57.759 25.465 1.00 8.85 C ATOM 586 O HIS A 118 76.485 58.569 24.731 1.00 7.42 O ATOM 587 CB HIS A 118 73.611 58.716 25.557 1.00 13.29 C ATOM 588 CG HIS A 118 72.350 58.891 26.347 1.00 15.99 C ATOM 589 ND1 HIS A 118 71.251 59.565 25.857 1.00 16.89 N ATOM 590 CD2 HIS A 118 72.013 58.478 27.593 1.00 17.07 C ATOM 591 CE1 HIS A 118 70.291 59.554 26.765 1.00 17.29 C ATOM 592 NE2 HIS A 118 70.728 58.900 27.827 1.00 17.04 N ATOM 593 HA HIS A 118 74.469 57.356 26.986 1.00 0.00 H ATOM 594 HB2 HIS A 118 73.883 59.679 25.125 1.00 0.00 H ATOM 595 HB3 HIS A 118 73.419 58.001 24.756 1.00 0.00 H ATOM 596 HD2 HIS A 118 72.644 57.916 28.281 1.00 0.00 H ATOM 597 HE1 HIS A 118 69.306 60.007 26.656 1.00 0.00 H ATOM 598 H HIS A 118 75.486 60.195 26.873 1.00 0.00 H ATOM 599 N GLN A 119 76.243 56.468 25.510 1.00 7.91 N ATOM 600 CA GLN A 119 77.326 55.904 24.715 1.00 8.62 C ATOM 601 C GLN A 119 78.580 56.784 24.866 1.00 7.20 C ATOM 602 O GLN A 119 78.945 57.158 25.986 1.00 7.13 O ATOM 603 CB GLN A 119 76.884 55.756 23.248 1.00 10.43 C ATOM 604 CG GLN A 119 75.675 54.831 23.034 1.00 13.84 C ATOM 605 CD GLN A 119 74.327 55.524 23.233 1.00 17.15 C ATOM 606 OE1 GLN A 119 74.092 56.615 22.705 1.00 18.83 O ATOM 607 NE2 GLN A 119 73.440 54.886 23.993 1.00 18.67 N ATOM 608 HA GLN A 119 77.576 54.905 25.073 1.00 0.00 H ATOM 609 HB2 GLN A 119 76.627 56.745 22.869 1.00 0.00 H ATOM 610 HB3 GLN A 119 77.723 55.356 22.678 1.00 0.00 H ATOM 611 HG2 GLN A 119 75.715 54.442 22.017 1.00 0.00 H ATOM 612 HG3 GLN A 119 75.745 54.004 23.741 1.00 0.00 H ATOM 613 HE22 GLN A 119 73.683 53.968 24.417 1.00 0.00 H ATOM 614 HE21 GLN A 119 72.504 55.305 24.163 1.00 0.00 H ATOM 615 H GLN A 119 75.702 55.838 26.136 1.00 0.00 H ATOM 616 N ASP A 120 79.232 57.122 23.753 1.00 5.52 N ATOM 617 CA ASP A 120 80.386 58.020 23.774 1.00 5.27 C ATOM 618 C ASP A 120 80.065 59.365 23.120 1.00 5.26 C ATOM 619 O ASP A 120 80.954 60.044 22.602 1.00 6.01 O ATOM 620 CB ASP A 120 81.603 57.356 23.112 1.00 5.55 C ATOM 621 CG ASP A 120 81.406 57.079 21.629 1.00 6.59 C ATOM 622 OD1 ASP A 120 80.281 57.219 21.100 1.00 6.34 O ATOM 623 OD2 ASP A 120 82.348 56.698 20.912 1.00 6.20 O ATOM 624 HA ASP A 120 80.633 58.219 24.817 1.00 0.00 H ATOM 625 HB2 ASP A 120 82.463 58.015 23.230 1.00 0.00 H ATOM 626 HB3 ASP A 120 81.799 56.410 23.618 1.00 0.00 H ATOM 627 H ASP A 120 78.910 56.735 22.843 1.00 0.00 H ATOM 628 N LYS A 121 78.787 59.742 23.162 1.00 4.82 N ATOM 629 CA LYS A 121 78.326 61.003 22.611 1.00 5.67 C ATOM 630 C LYS A 121 78.742 62.164 23.506 1.00 5.55 C ATOM 631 O LYS A 121 78.430 62.182 24.696 1.00 6.47 O ATOM 632 CB LYS A 121 76.801 61.002 22.453 1.00 7.19 C ATOM 633 CG LYS A 121 76.269 60.066 21.385 1.00 8.82 C ATOM 634 CD LYS A 121 74.770 59.852 21.553 1.00 11.84 C ATOM 635 CE LYS A 121 74.153 59.163 20.344 1.00 14.13 C ATOM 636 NZ LYS A 121 74.542 57.734 20.252 1.00 15.22 N ATOM 637 HA LYS A 121 78.785 61.125 21.630 1.00 0.00 H ATOM 638 HB2 LYS A 121 76.362 60.711 23.407 1.00 0.00 H ATOM 639 HB3 LYS A 121 76.486 62.015 22.203 1.00 0.00 H ATOM 640 HG2 LYS A 121 76.461 60.498 20.403 1.00 0.00 H ATOM 641 HG3 LYS A 121 76.779 59.106 21.464 1.00 0.00 H ATOM 642 HD2 LYS A 121 74.599 59.235 22.435 1.00 0.00 H ATOM 643 HD3 LYS A 121 74.289 60.821 21.690 1.00 0.00 H ATOM 644 HE2 LYS A 121 74.484 59.676 19.441 1.00 0.00 H ATOM 645 HE3 LYS A 121 73.068 59.227 20.419 1.00 0.00 H ATOM 646 HZ1 LYS A 121 75.576 57.662 20.172 1.00 0.00 H ATOM 647 HZ2 LYS A 121 74.224 57.234 21.106 1.00 0.00 H ATOM 648 HZ3 LYS A 121 74.098 57.308 19.414 1.00 0.00 H ATOM 649 H LYS A 121 78.093 59.108 23.607 1.00 0.00 H ATOM 650 N VAL A 122 79.458 63.120 22.921 1.00 6.03 N ATOM 651 CA VAL A 122 79.837 64.360 23.589 1.00 5.71 C ATOM 652 C VAL A 122 79.327 65.551 22.783 1.00 6.52 C ATOM 653 O VAL A 122 78.943 65.415 21.627 1.00 6.10 O ATOM 654 CB VAL A 122 81.372 64.478 23.783 1.00 6.10 C ATOM 655 CG1 VAL A 122 81.924 63.231 24.468 1.00 5.48 C ATOM 656 CG2 VAL A 122 82.101 64.727 22.458 1.00 6.82 C ATOM 657 HA VAL A 122 79.382 64.353 24.580 1.00 0.00 H ATOM 658 HB VAL A 122 81.552 65.342 24.422 1.00 0.00 H ATOM 659 HG11 VAL A 122 81.452 63.115 25.444 1.00 0.00 H ATOM 660 HG12 VAL A 122 81.711 62.356 23.854 1.00 0.00 H ATOM 661 HG13 VAL A 122 83.002 63.334 24.594 1.00 0.00 H ATOM 662 HG21 VAL A 122 81.906 63.899 21.776 1.00 0.00 H ATOM 663 HG22 VAL A 122 81.741 65.656 22.016 1.00 0.00 H ATOM 664 HG23 VAL A 122 83.173 64.803 22.643 1.00 0.00 H ATOM 665 H VAL A 122 79.763 62.976 21.937 1.00 0.00 H ATOM 666 N ARG A 123 79.317 66.718 23.415 1.00 6.87 N ATOM 667 CA ARG A 123 78.874 67.937 22.766 1.00 5.83 C ATOM 668 C ARG A 123 79.694 69.131 23.238 1.00 5.40 C ATOM 669 O ARG A 123 80.056 69.219 24.402 1.00 5.08 O ATOM 670 CB ARG A 123 77.402 68.167 23.072 1.00 8.54 C ATOM 671 CG ARG A 123 76.741 69.105 22.115 1.00 9.08 C ATOM 672 CD ARG A 123 75.299 69.362 22.438 1.00 9.11 C ATOM 673 NE ARG A 123 74.426 68.212 22.231 1.00 9.25 N ATOM 674 CZ ARG A 123 73.944 67.824 21.052 1.00 11.11 C ATOM 675 NH1 ARG A 123 74.284 68.443 19.925 1.00 10.84 N ATOM 676 NH2 ARG A 123 73.121 66.788 21.002 1.00 12.79 N ATOM 677 HA ARG A 123 79.013 67.831 21.690 1.00 0.00 H ATOM 678 HB2 ARG A 123 76.885 67.208 23.030 1.00 0.00 H ATOM 679 HB3 ARG A 123 77.317 68.580 24.077 1.00 0.00 H ATOM 680 HG2 ARG A 123 77.275 70.055 22.136 1.00 0.00 H ATOM 681 HG3 ARG A 123 76.801 68.678 21.114 1.00 0.00 H ATOM 682 HD2 ARG A 123 74.947 70.177 21.806 1.00 0.00 H ATOM 683 HD3 ARG A 123 75.231 69.660 23.484 1.00 0.00 H ATOM 684 HE ARG A 123 74.160 67.653 23.067 1.00 0.00 H ATOM 685 HH12 ARG A 123 73.894 68.121 19.017 1.00 0.00 H ATOM 686 HH11 ARG A 123 74.940 69.249 19.952 1.00 0.00 H ATOM 687 HH22 ARG A 123 72.736 66.473 20.089 1.00 0.00 H ATOM 688 HH21 ARG A 123 72.859 66.289 21.876 1.00 0.00 H ATOM 689 H ARG A 123 79.636 66.760 24.404 1.00 0.00 H ATOM 690 N CYS A 124 79.976 70.060 22.330 1.00 4.55 N ATOM 691 CA CYS A 124 80.656 71.295 22.692 1.00 4.88 C ATOM 692 C CYS A 124 79.659 72.279 23.293 1.00 5.59 C ATOM 693 O CYS A 124 78.577 72.490 22.739 1.00 5.08 O ATOM 694 CB CYS A 124 81.304 71.919 21.458 1.00 5.80 C ATOM 695 SG CYS A 124 82.029 73.552 21.710 1.00 6.48 S ATOM 696 HA CYS A 124 81.429 71.067 23.426 1.00 0.00 H ATOM 697 HB2 CYS A 124 80.541 72.005 20.684 1.00 0.00 H ATOM 698 HB3 CYS A 124 82.093 71.249 21.117 1.00 0.00 H ATOM 699 HG CYS A 124 82.577 73.998 20.525 1.00 0.00 H ATOM 700 H CYS A 124 79.705 69.901 21.339 1.00 0.00 H ATOM 701 N PHE A 125 80.029 72.898 24.410 1.00 5.66 N ATOM 702 CA PHE A 125 79.144 73.842 25.086 1.00 5.19 C ATOM 703 C PHE A 125 78.896 75.086 24.239 1.00 5.07 C ATOM 704 O PHE A 125 77.868 75.730 24.378 1.00 4.08 O ATOM 705 CB PHE A 125 79.725 74.254 26.445 1.00 6.14 C ATOM 706 CG PHE A 125 80.768 75.334 26.355 1.00 5.98 C ATOM 707 CD1 PHE A 125 82.091 75.017 26.090 1.00 5.89 C ATOM 708 CD2 PHE A 125 80.422 76.667 26.519 1.00 6.62 C ATOM 709 CE1 PHE A 125 83.053 76.010 25.999 1.00 6.03 C ATOM 710 CE2 PHE A 125 81.382 77.666 26.428 1.00 6.87 C ATOM 711 CZ PHE A 125 82.701 77.334 26.177 1.00 6.29 C ATOM 712 HA PHE A 125 78.191 73.335 25.240 1.00 0.00 H ATOM 713 HB2 PHE A 125 78.910 74.614 27.073 1.00 0.00 H ATOM 714 HB3 PHE A 125 80.177 73.376 26.906 1.00 0.00 H ATOM 715 HD2 PHE A 125 79.385 76.933 26.722 1.00 0.00 H ATOM 716 HE2 PHE A 125 81.097 78.710 26.554 1.00 0.00 H ATOM 717 HZ PHE A 125 83.460 78.114 26.120 1.00 0.00 H ATOM 718 HE1 PHE A 125 84.089 75.746 25.787 1.00 0.00 H ATOM 719 HD1 PHE A 125 82.378 73.975 25.952 1.00 0.00 H ATOM 720 H PHE A 125 80.969 72.706 24.811 1.00 0.00 H ATOM 721 N PHE A 126 79.855 75.443 23.388 1.00 5.07 N ATOM 722 CA PHE A 126 79.786 76.701 22.667 1.00 4.98 C ATOM 723 C PHE A 126 79.032 76.614 21.339 1.00 5.25 C ATOM 724 O PHE A 126 78.093 77.385 21.108 1.00 5.22 O ATOM 725 CB PHE A 126 81.179 77.296 22.435 1.00 6.09 C ATOM 726 CG PHE A 126 81.127 78.755 22.119 1.00 6.84 C ATOM 727 CD1 PHE A 126 80.754 79.182 20.855 1.00 6.87 C ATOM 728 CD2 PHE A 126 81.356 79.702 23.108 1.00 6.65 C ATOM 729 CE1 PHE A 126 80.643 80.538 20.567 1.00 7.81 C ATOM 730 CE2 PHE A 126 81.251 81.050 22.824 1.00 7.65 C ATOM 731 CZ PHE A 126 80.892 81.467 21.554 1.00 7.87 C ATOM 732 HA PHE A 126 79.212 77.364 23.315 1.00 0.00 H ATOM 733 HB2 PHE A 126 81.776 77.153 23.336 1.00 0.00 H ATOM 734 HB3 PHE A 126 81.649 76.773 21.602 1.00 0.00 H ATOM 735 HD2 PHE A 126 81.620 79.380 24.115 1.00 0.00 H ATOM 736 HE2 PHE A 126 81.451 81.787 23.602 1.00 0.00 H ATOM 737 HZ PHE A 126 80.806 82.531 21.334 1.00 0.00 H ATOM 738 HE1 PHE A 126 80.361 80.864 19.566 1.00 0.00 H ATOM 739 HD1 PHE A 126 80.545 78.447 20.078 1.00 0.00 H ATOM 740 H PHE A 126 80.667 74.811 23.237 1.00 0.00 H ATOM 741 N CYS A 127 79.456 75.709 20.459 1.00 4.62 N ATOM 742 CA CYS A 127 78.800 75.537 19.151 1.00 4.99 C ATOM 743 C CYS A 127 77.669 74.505 19.166 1.00 4.65 C ATOM 744 O CYS A 127 76.890 74.438 18.216 1.00 4.34 O ATOM 745 CB CYS A 127 79.819 75.183 18.058 1.00 5.41 C ATOM 746 SG CYS A 127 80.672 73.581 18.214 1.00 6.69 S ATOM 747 HA CYS A 127 78.347 76.502 18.923 1.00 0.00 H ATOM 748 HB2 CYS A 127 80.581 75.963 18.052 1.00 0.00 H ATOM 749 HB3 CYS A 127 79.292 75.184 17.104 1.00 0.00 H ATOM 750 HG CYS A 127 81.373 73.549 19.402 1.00 0.00 H ATOM 751 H CYS A 127 80.270 75.109 20.701 1.00 0.00 H ATOM 752 N TYR A 128 77.583 73.718 20.240 1.00 5.53 N ATOM 753 CA TYR A 128 76.597 72.631 20.397 1.00 5.47 C ATOM 754 C TYR A 128 76.792 71.495 19.380 1.00 6.05 C ATOM 755 O TYR A 128 75.890 70.686 19.151 1.00 6.20 O ATOM 756 CB TYR A 128 75.158 73.169 20.354 1.00 5.03 C ATOM 757 CG TYR A 128 74.216 72.557 21.383 1.00 5.44 C ATOM 758 CD1 TYR A 128 74.444 72.712 22.750 1.00 6.07 C ATOM 759 CD2 TYR A 128 73.086 71.840 20.988 1.00 4.79 C ATOM 760 CE1 TYR A 128 73.568 72.156 23.702 1.00 6.03 C ATOM 761 CE2 TYR A 128 72.212 71.279 21.929 1.00 4.59 C ATOM 762 CZ TYR A 128 72.462 71.443 23.284 1.00 4.80 C ATOM 763 OH TYR A 128 71.595 70.900 24.215 1.00 3.73 O ATOM 764 HA TYR A 128 76.772 72.201 21.383 1.00 0.00 H ATOM 765 HB3 TYR A 128 74.751 72.972 19.362 1.00 0.00 H ATOM 766 HB2 TYR A 128 75.193 74.245 20.524 1.00 0.00 H ATOM 767 HD2 TYR A 128 72.879 71.714 19.925 1.00 0.00 H ATOM 768 HE2 TYR A 128 71.339 70.716 21.598 1.00 0.00 H ATOM 769 HE1 TYR A 128 73.763 72.288 24.766 1.00 0.00 H ATOM 770 HD1 TYR A 128 75.315 73.273 23.087 1.00 0.00 H ATOM 771 HH TYR A 128 71.919 71.109 25.127 1.00 0.00 H ATOM 772 H TYR A 128 78.255 73.881 21.017 1.00 0.00 H ATOM 773 N GLY A 129 77.981 71.417 18.794 1.00 5.28 N ATOM 774 CA GLY A 129 78.303 70.339 17.883 1.00 6.05 C ATOM 775 C GLY A 129 78.510 69.054 18.664 1.00 6.31 C ATOM 776 O GLY A 129 79.211 69.044 19.670 1.00 6.79 O ATOM 777 HA3 GLY A 129 79.215 70.584 17.339 1.00 0.00 H ATOM 778 HA2 GLY A 129 77.485 70.206 17.175 1.00 0.00 H ATOM 779 H GLY A 129 78.696 72.146 18.994 1.00 0.00 H ATOM 780 N GLY A 130 77.893 67.972 18.205 1.00 6.35 N ATOM 781 CA GLY A 130 78.009 66.678 18.857 1.00 6.38 C ATOM 782 C GLY A 130 78.920 65.750 18.078 1.00 6.25 C ATOM 783 O GLY A 130 78.895 65.759 16.847 1.00 6.66 O ATOM 784 HA3 GLY A 130 77.020 66.227 18.930 1.00 0.00 H ATOM 785 HA2 GLY A 130 78.417 66.819 19.858 1.00 0.00 H ATOM 786 H GLY A 130 77.307 68.053 17.350 1.00 0.00 H ATOM 787 N LEU A 131 79.724 64.966 18.797 1.00 5.53 N ATOM 788 CA LEU A 131 80.598 63.954 18.210 1.00 5.79 C ATOM 789 C LEU A 131 80.440 62.629 18.950 1.00 5.49 C ATOM 790 O LEU A 131 80.325 62.608 20.173 1.00 5.84 O ATOM 791 CB LEU A 131 82.057 64.392 18.296 1.00 6.26 C ATOM 792 CG LEU A 131 82.464 65.561 17.399 1.00 7.69 C ATOM 793 CD1 LEU A 131 83.870 66.002 17.716 1.00 8.48 C ATOM 794 CD2 LEU A 131 82.342 65.182 15.932 1.00 8.02 C ATOM 795 HA LEU A 131 80.316 63.830 17.164 1.00 0.00 H ATOM 796 HB2 LEU A 131 82.258 64.679 19.328 1.00 0.00 H ATOM 797 HB3 LEU A 131 82.678 63.536 18.030 1.00 0.00 H ATOM 798 HG LEU A 131 81.788 66.393 17.593 1.00 0.00 H ATOM 799 HD21 LEU A 131 82.993 64.333 15.722 1.00 0.00 H ATOM 800 HD22 LEU A 131 81.309 64.912 15.712 1.00 0.00 H ATOM 801 HD23 LEU A 131 82.637 66.030 15.313 1.00 0.00 H ATOM 802 HD11 LEU A 131 83.924 66.318 18.758 1.00 0.00 H ATOM 803 HD12 LEU A 131 84.556 65.171 17.551 1.00 0.00 H ATOM 804 HD13 LEU A 131 84.143 66.835 17.068 1.00 0.00 H ATOM 805 H LEU A 131 79.729 65.081 19.831 1.00 0.00 H ATOM 806 N GLN A 132 80.433 61.535 18.198 1.00 5.00 N ATOM 807 CA GLN A 132 80.388 60.187 18.763 1.00 5.47 C ATOM 808 C GLN A 132 81.303 59.254 17.963 1.00 4.95 C ATOM 809 O GLN A 132 82.011 59.700 17.060 1.00 3.62 O ATOM 810 CB GLN A 132 78.948 59.672 18.779 1.00 6.52 C ATOM 811 CG GLN A 132 78.371 59.354 17.406 1.00 10.23 C ATOM 812 CD GLN A 132 76.982 58.744 17.475 1.00 14.37 C ATOM 813 OE1 GLN A 132 76.584 58.211 18.509 1.00 16.70 O ATOM 814 NE2 GLN A 132 76.245 58.824 16.378 1.00 15.35 N ATOM 815 HA GLN A 132 80.747 60.214 19.792 1.00 0.00 H ATOM 816 HB2 GLN A 132 78.919 58.762 19.379 1.00 0.00 H ATOM 817 HB3 GLN A 132 78.320 60.432 19.244 1.00 0.00 H ATOM 818 HG2 GLN A 132 78.317 60.277 16.829 1.00 0.00 H ATOM 819 HG3 GLN A 132 79.035 58.651 16.904 1.00 0.00 H ATOM 820 HE22 GLN A 132 76.627 59.285 15.528 1.00 0.00 H ATOM 821 HE21 GLN A 132 75.284 58.426 16.367 1.00 0.00 H ATOM 822 H GLN A 132 80.461 61.641 17.164 1.00 0.00 H ATOM 823 N SER A 133 81.286 57.967 18.301 1.00 5.29 N ATOM 824 CA SER A 133 82.124 56.961 17.648 1.00 6.24 C ATOM 825 C SER A 133 83.603 57.351 17.671 1.00 5.64 C ATOM 826 O SER A 133 84.288 57.340 16.650 1.00 4.70 O ATOM 827 CB SER A 133 81.641 56.702 16.213 1.00 7.69 C ATOM 828 OG SER A 133 80.265 56.360 16.211 1.00 8.56 O ATOM 829 HA SER A 133 82.029 56.034 18.214 1.00 0.00 H ATOM 830 HB2 SER A 133 82.216 55.882 15.782 1.00 0.00 H ATOM 831 HB3 SER A 133 81.789 57.602 15.616 1.00 0.00 H ATOM 832 HG SER A 133 79.968 56.196 15.281 1.00 0.00 H ATOM 833 H SER A 133 80.648 57.662 19.064 1.00 0.00 H ATOM 834 N TRP A 134 84.078 57.692 18.860 1.00 5.16 N ATOM 835 CA TRP A 134 85.477 58.024 19.083 1.00 6.55 C ATOM 836 C TRP A 134 86.351 56.789 18.898 1.00 7.01 C ATOM 837 O TRP A 134 86.009 55.698 19.356 1.00 7.94 O ATOM 838 CB TRP A 134 85.660 58.620 20.484 1.00 6.96 C ATOM 839 CG TRP A 134 85.026 59.972 20.600 1.00 6.34 C ATOM 840 CD1 TRP A 134 83.718 60.243 20.863 1.00 6.05 C ATOM 841 CD2 TRP A 134 85.664 61.233 20.408 1.00 5.64 C ATOM 842 NE1 TRP A 134 83.501 61.599 20.854 1.00 5.66 N ATOM 843 CE2 TRP A 134 84.683 62.232 20.575 1.00 6.04 C ATOM 844 CE3 TRP A 134 86.972 61.625 20.109 1.00 5.90 C ATOM 845 CZ2 TRP A 134 84.972 63.589 20.461 1.00 6.79 C ATOM 846 CZ3 TRP A 134 87.255 62.964 19.994 1.00 6.69 C ATOM 847 CH2 TRP A 134 86.264 63.934 20.173 1.00 6.75 C ATOM 848 HA TRP A 134 85.785 58.769 18.350 1.00 0.00 H ATOM 849 HB2 TRP A 134 85.204 57.952 21.214 1.00 0.00 H ATOM 850 HB3 TRP A 134 86.726 58.711 20.693 1.00 0.00 H ATOM 851 HE1 TRP A 134 82.590 62.068 21.030 1.00 0.00 H ATOM 852 HD1 TRP A 134 82.952 59.491 21.054 1.00 0.00 H ATOM 853 HZ2 TRP A 134 84.200 64.346 20.596 1.00 0.00 H ATOM 854 HH2 TRP A 134 86.527 64.988 20.081 1.00 0.00 H ATOM 855 HZ3 TRP A 134 88.272 63.277 19.759 1.00 0.00 H ATOM 856 HE3 TRP A 134 87.755 60.880 19.969 1.00 0.00 H ATOM 857 H TRP A 134 83.424 57.724 19.668 1.00 0.00 H ATOM 858 N LYS A 135 87.463 56.975 18.196 1.00 6.62 N ATOM 859 CA LYS A 135 88.426 55.911 17.932 1.00 8.62 C ATOM 860 C LYS A 135 89.660 56.152 18.784 1.00 7.76 C ATOM 861 O LYS A 135 89.970 57.292 19.125 1.00 8.36 O ATOM 862 CB LYS A 135 88.799 55.887 16.449 1.00 11.11 C ATOM 863 CG LYS A 135 87.607 55.735 15.490 1.00 14.08 C ATOM 864 CD LYS A 135 86.683 54.590 15.903 1.00 16.97 C ATOM 865 CE LYS A 135 85.564 54.350 14.898 1.00 18.97 C ATOM 866 NZ LYS A 135 84.975 52.991 15.055 1.00 20.74 N ATOM 867 HA LYS A 135 87.987 54.946 18.184 1.00 0.00 H ATOM 868 HB2 LYS A 135 89.309 56.820 16.212 1.00 0.00 H ATOM 869 HB3 LYS A 135 89.478 55.051 16.283 1.00 0.00 H ATOM 870 HG2 LYS A 135 87.037 56.664 15.487 1.00 0.00 H ATOM 871 HG3 LYS A 135 87.985 55.538 14.487 1.00 0.00 H ATOM 872 HD2 LYS A 135 87.274 53.679 15.992 1.00 0.00 H ATOM 873 HD3 LYS A 135 86.239 54.830 16.869 1.00 0.00 H ATOM 874 HE2 LYS A 135 85.966 54.449 13.889 1.00 0.00 H ATOM 875 HE3 LYS A 135 84.783 55.095 15.051 1.00 0.00 H ATOM 876 HZ1 LYS A 135 85.714 52.275 14.904 1.00 0.00 H ATOM 877 HZ2 LYS A 135 84.585 52.892 16.014 1.00 0.00 H ATOM 878 HZ3 LYS A 135 84.216 52.860 14.356 1.00 0.00 H ATOM 879 H LYS A 135 87.657 57.924 17.817 1.00 0.00 H ATOM 880 N ARG A 136 90.357 55.080 19.139 1.00 7.83 N ATOM 881 CA ARG A 136 91.495 55.191 20.045 1.00 9.62 C ATOM 882 C ARG A 136 92.528 56.162 19.472 1.00 10.66 C ATOM 883 O ARG A 136 92.873 56.098 18.288 1.00 9.63 O ATOM 884 CB ARG A 136 92.099 53.809 20.368 1.00 10.60 C ATOM 885 CG ARG A 136 92.713 53.079 19.210 1.00 11.86 C ATOM 886 CD ARG A 136 93.170 51.656 19.556 1.00 13.26 C ATOM 887 NE ARG A 136 94.055 51.104 18.526 1.00 15.79 N ATOM 888 CZ ARG A 136 94.961 50.138 18.718 1.00 16.88 C ATOM 889 NH1 ARG A 136 95.142 49.591 19.912 1.00 16.95 N ATOM 890 NH2 ARG A 136 95.705 49.720 17.702 1.00 18.47 N ATOM 891 HA ARG A 136 91.148 55.598 20.995 1.00 0.00 H ATOM 892 HB2 ARG A 136 92.872 53.950 21.123 1.00 0.00 H ATOM 893 HB3 ARG A 136 91.305 53.183 20.775 1.00 0.00 H ATOM 894 HG2 ARG A 136 91.976 53.020 18.409 1.00 0.00 H ATOM 895 HG3 ARG A 136 93.578 53.645 18.865 1.00 0.00 H ATOM 896 HD2 ARG A 136 92.293 51.016 19.648 1.00 0.00 H ATOM 897 HD3 ARG A 136 93.704 51.678 20.506 1.00 0.00 H ATOM 898 HE ARG A 136 93.972 51.496 17.566 1.00 0.00 H ATOM 899 HH12 ARG A 136 95.852 48.842 20.038 1.00 0.00 H ATOM 900 HH11 ARG A 136 94.574 49.911 20.722 1.00 0.00 H ATOM 901 HH22 ARG A 136 96.410 48.969 17.848 1.00 0.00 H ATOM 902 HH21 ARG A 136 95.583 50.143 16.760 1.00 0.00 H ATOM 903 H ARG A 136 90.088 54.147 18.766 1.00 0.00 H ATOM 904 N GLY A 137 92.958 57.106 20.307 1.00 11.59 N ATOM 905 CA GLY A 137 93.948 58.094 19.916 1.00 12.26 C ATOM 906 C GLY A 137 93.422 59.284 19.125 1.00 11.98 C ATOM 907 O GLY A 137 94.222 60.134 18.727 1.00 12.70 O ATOM 908 HA3 GLY A 137 94.699 57.592 19.305 1.00 0.00 H ATOM 909 HA2 GLY A 137 94.416 58.476 20.823 1.00 0.00 H ATOM 910 H GLY A 137 92.572 57.137 21.272 1.00 0.00 H ATOM 911 N ASP A 138 92.109 59.339 18.870 1.00 10.24 N ATOM 912 CA ASP A 138 91.469 60.547 18.332 1.00 8.83 C ATOM 913 C ASP A 138 91.831 61.697 19.253 1.00 9.08 C ATOM 914 O ASP A 138 91.760 61.557 20.470 1.00 10.09 O ATOM 915 CB ASP A 138 89.934 60.437 18.345 1.00 8.38 C ATOM 916 CG ASP A 138 89.346 59.838 17.079 1.00 9.31 C ATOM 917 OD1 ASP A 138 90.081 59.543 16.111 1.00 10.71 O ATOM 918 OD2 ASP A 138 88.113 59.627 16.977 1.00 8.13 O ATOM 919 HA ASP A 138 91.807 60.689 17.305 1.00 0.00 H ATOM 920 HB2 ASP A 138 89.642 59.811 19.188 1.00 0.00 H ATOM 921 HB3 ASP A 138 89.520 61.437 18.476 1.00 0.00 H ATOM 922 H ASP A 138 91.524 58.500 19.059 1.00 0.00 H ATOM 923 N ASP A 139 92.172 62.844 18.674 1.00 8.19 N ATOM 924 CA ASP A 139 92.511 64.034 19.438 1.00 7.03 C ATOM 925 C ASP A 139 91.312 64.983 19.464 1.00 5.94 C ATOM 926 O ASP A 139 90.874 65.430 18.411 1.00 6.15 O ATOM 927 CB ASP A 139 93.704 64.730 18.794 1.00 8.45 C ATOM 928 CG ASP A 139 94.095 65.988 19.522 1.00 11.91 C ATOM 929 OD1 ASP A 139 94.456 65.885 20.711 1.00 13.84 O ATOM 930 OD2 ASP A 139 94.061 67.116 18.991 1.00 12.81 O ATOM 931 HA ASP A 139 92.768 63.750 20.459 1.00 0.00 H ATOM 932 HB2 ASP A 139 94.552 64.046 18.796 1.00 0.00 H ATOM 933 HB3 ASP A 139 93.448 64.985 17.766 1.00 0.00 H ATOM 934 H ASP A 139 92.197 62.892 17.635 1.00 0.00 H ATOM 935 N PRO A 140 90.762 65.276 20.643 1.00 5.47 N ATOM 936 CA PRO A 140 89.569 66.136 20.739 1.00 5.52 C ATOM 937 C PRO A 140 89.642 67.493 20.030 1.00 5.70 C ATOM 938 O PRO A 140 88.682 67.852 19.355 1.00 6.30 O ATOM 939 CB PRO A 140 89.386 66.306 22.254 1.00 5.86 C ATOM 940 CG PRO A 140 89.956 65.028 22.821 1.00 6.47 C ATOM 941 CD PRO A 140 91.155 64.745 21.965 1.00 6.51 C ATOM 942 HA PRO A 140 88.733 65.669 20.219 1.00 0.00 H ATOM 943 HD3 PRO A 140 92.037 65.259 22.346 1.00 0.00 H ATOM 944 HD2 PRO A 140 91.354 63.675 21.913 1.00 0.00 H ATOM 945 HG3 PRO A 140 89.231 64.217 22.751 1.00 0.00 H ATOM 946 HG2 PRO A 140 90.248 65.164 23.862 1.00 0.00 H ATOM 947 HB2 PRO A 140 89.935 67.174 22.619 1.00 0.00 H ATOM 948 HB3 PRO A 140 88.332 66.411 22.511 1.00 0.00 H ATOM 949 N TRP A 141 90.739 68.228 20.167 1.00 6.22 N ATOM 950 CA TRP A 141 90.861 69.514 19.488 1.00 5.95 C ATOM 951 C TRP A 141 90.872 69.329 17.970 1.00 5.70 C ATOM 952 O TRP A 141 90.258 70.102 17.254 1.00 6.09 O ATOM 953 CB TRP A 141 92.125 70.263 19.915 1.00 7.31 C ATOM 954 CG TRP A 141 91.989 71.149 21.127 1.00 7.68 C ATOM 955 CD1 TRP A 141 92.818 71.170 22.209 1.00 8.96 C ATOM 956 CD2 TRP A 141 91.009 72.173 21.357 1.00 7.20 C ATOM 957 NE1 TRP A 141 92.403 72.123 23.108 1.00 9.78 N ATOM 958 CE2 TRP A 141 91.299 72.757 22.610 1.00 8.94 C ATOM 959 CE3 TRP A 141 89.906 72.653 20.637 1.00 7.75 C ATOM 960 CZ2 TRP A 141 90.535 73.800 23.151 1.00 9.00 C ATOM 961 CZ3 TRP A 141 89.146 73.683 21.177 1.00 8.19 C ATOM 962 CH2 TRP A 141 89.466 74.242 22.426 1.00 8.75 C ATOM 963 HA TRP A 141 89.993 70.107 19.775 1.00 0.00 H ATOM 964 HB2 TRP A 141 92.896 69.523 20.127 1.00 0.00 H ATOM 965 HB3 TRP A 141 92.442 70.887 19.079 1.00 0.00 H ATOM 966 HE1 TRP A 141 92.856 72.329 24.021 1.00 0.00 H ATOM 967 HD1 TRP A 141 93.686 70.524 22.342 1.00 0.00 H ATOM 968 HZ2 TRP A 141 90.785 74.242 24.115 1.00 0.00 H ATOM 969 HH2 TRP A 141 88.847 75.046 22.825 1.00 0.00 H ATOM 970 HZ3 TRP A 141 88.288 74.064 20.623 1.00 0.00 H ATOM 971 HE3 TRP A 141 89.649 72.225 19.668 1.00 0.00 H ATOM 972 H TRP A 141 91.518 67.884 20.764 1.00 0.00 H ATOM 973 N THR A 142 91.571 68.303 17.489 1.00 4.89 N ATOM 974 CA THR A 142 91.637 68.012 16.056 1.00 5.05 C ATOM 975 C THR A 142 90.247 67.724 15.486 1.00 5.74 C ATOM 976 O THR A 142 89.884 68.246 14.429 1.00 5.07 O ATOM 977 CB THR A 142 92.574 66.815 15.793 1.00 5.96 C ATOM 978 OG1 THR A 142 93.923 67.157 16.144 1.00 5.64 O ATOM 979 CG2 THR A 142 92.644 66.478 14.311 1.00 6.78 C ATOM 980 HA THR A 142 92.036 68.893 15.554 1.00 0.00 H ATOM 981 HB THR A 142 92.178 65.985 16.378 1.00 0.00 H ATOM 982 HG1 THR A 142 93.963 67.396 17.104 1.00 0.00 H ATOM 983 HG23 THR A 142 91.651 66.203 13.955 1.00 0.00 H ATOM 984 HG21 THR A 142 93.002 67.347 13.759 1.00 0.00 H ATOM 985 HG22 THR A 142 93.329 65.643 14.161 1.00 0.00 H ATOM 986 H THR A 142 92.086 67.689 18.152 1.00 0.00 H ATOM 987 N GLU A 143 89.477 66.894 16.188 1.00 5.57 N ATOM 988 CA GLU A 143 88.120 66.543 15.763 1.00 5.86 C ATOM 989 C GLU A 143 87.188 67.751 15.837 1.00 6.29 C ATOM 990 O GLU A 143 86.316 67.917 14.982 1.00 6.56 O ATOM 991 CB GLU A 143 87.563 65.390 16.606 1.00 6.57 C ATOM 992 CG GLU A 143 88.337 64.088 16.500 1.00 7.47 C ATOM 993 CD GLU A 143 88.408 63.552 15.082 1.00 9.24 C ATOM 994 OE1 GLU A 143 87.345 63.259 14.504 1.00 9.55 O ATOM 995 OE2 GLU A 143 89.527 63.415 14.548 1.00 11.70 O ATOM 996 HA GLU A 143 88.175 66.218 14.724 1.00 0.00 H ATOM 997 HB2 GLU A 143 87.566 65.702 17.650 1.00 0.00 H ATOM 998 HB3 GLU A 143 86.538 65.202 16.287 1.00 0.00 H ATOM 999 HG2 GLU A 143 89.352 64.257 16.859 1.00 0.00 H ATOM 1000 HG3 GLU A 143 87.851 63.343 17.129 1.00 0.00 H ATOM 1001 H GLU A 143 89.852 66.482 17.066 1.00 0.00 H ATOM 1002 N HIS A 144 87.384 68.602 16.845 1.00 5.65 N ATOM 1003 CA HIS A 144 86.604 69.842 16.983 1.00 6.12 C ATOM 1004 C HIS A 144 86.805 70.711 15.746 1.00 5.55 C ATOM 1005 O HIS A 144 85.851 71.217 15.171 1.00 5.12 O ATOM 1006 CB HIS A 144 87.034 70.626 18.235 1.00 5.97 C ATOM 1007 CG HIS A 144 85.950 71.483 18.830 1.00 6.12 C ATOM 1008 ND1 HIS A 144 85.868 71.730 20.181 1.00 6.12 N ATOM 1009 CD2 HIS A 144 84.919 72.157 18.263 1.00 6.67 C ATOM 1010 CE1 HIS A 144 84.823 72.503 20.424 1.00 7.22 C ATOM 1011 NE2 HIS A 144 84.230 72.781 19.277 1.00 5.43 N ATOM 1012 HA HIS A 144 85.552 69.577 17.085 1.00 0.00 H ATOM 1013 HB2 HIS A 144 87.359 69.911 18.991 1.00 0.00 H ATOM 1014 HB3 HIS A 144 87.870 71.271 17.964 1.00 0.00 H ATOM 1015 HD2 HIS A 144 84.680 72.197 17.200 1.00 0.00 H ATOM 1016 HE1 HIS A 144 84.504 72.852 21.406 1.00 0.00 H ATOM 1017 H HIS A 144 88.111 68.382 17.556 1.00 0.00 H ATOM 1018 N ALA A 145 88.062 70.873 15.348 1.00 5.36 N ATOM 1019 CA ALA A 145 88.419 71.694 14.193 1.00 6.42 C ATOM 1020 C ALA A 145 87.990 71.061 12.873 1.00 6.92 C ATOM 1021 O ALA A 145 87.571 71.765 11.965 1.00 6.23 O ATOM 1022 CB ALA A 145 89.908 71.962 14.185 1.00 6.61 C ATOM 1023 HA ALA A 145 87.879 72.636 14.287 1.00 0.00 H ATOM 1024 HB1 ALA A 145 90.186 72.488 15.098 1.00 0.00 H ATOM 1025 HB2 ALA A 145 90.446 71.016 14.132 1.00 0.00 H ATOM 1026 HB3 ALA A 145 90.161 72.575 13.320 1.00 0.00 H ATOM 1027 H ALA A 145 88.820 70.398 15.878 1.00 0.00 H ATOM 1028 N LYS A 146 88.083 69.736 12.780 1.00 7.83 N ATOM 1029 CA LYS A 146 87.681 68.998 11.580 1.00 8.44 C ATOM 1030 C LYS A 146 86.210 69.236 11.251 1.00 7.20 C ATOM 1031 O LYS A 146 85.864 69.580 10.125 1.00 6.62 O ATOM 1032 CB LYS A 146 87.869 67.487 11.786 1.00 11.43 C ATOM 1033 CG LYS A 146 89.212 66.918 11.385 1.00 14.81 C ATOM 1034 CD LYS A 146 89.214 65.391 11.575 1.00 17.03 C ATOM 1035 CE LYS A 146 90.606 64.789 11.417 1.00 18.94 C ATOM 1036 NZ LYS A 146 90.680 63.368 11.898 1.00 19.54 N ATOM 1037 HA LYS A 146 88.309 69.356 10.764 1.00 0.00 H ATOM 1038 HB2 LYS A 146 87.721 67.275 12.845 1.00 0.00 H ATOM 1039 HB3 LYS A 146 87.103 66.974 11.204 1.00 0.00 H ATOM 1040 HG2 LYS A 146 89.406 67.152 10.338 1.00 0.00 H ATOM 1041 HG3 LYS A 146 89.992 67.360 12.005 1.00 0.00 H ATOM 1042 HD2 LYS A 146 88.844 65.162 12.574 1.00 0.00 H ATOM 1043 HD3 LYS A 146 88.553 64.944 10.833 1.00 0.00 H ATOM 1044 HE2 LYS A 146 91.313 65.389 11.990 1.00 0.00 H ATOM 1045 HE3 LYS A 146 90.880 64.815 10.362 1.00 0.00 H ATOM 1046 HZ1 LYS A 146 90.429 63.331 12.906 1.00 0.00 H ATOM 1047 HZ2 LYS A 146 90.015 62.783 11.352 1.00 0.00 H ATOM 1048 HZ3 LYS A 146 91.647 63.009 11.767 1.00 0.00 H ATOM 1049 H LYS A 146 88.456 69.204 13.592 1.00 0.00 H ATOM 1050 N TRP A 147 85.354 69.053 12.253 1.00 6.96 N ATOM 1051 CA TRP A 147 83.904 68.988 12.052 1.00 6.94 C ATOM 1052 C TRP A 147 83.174 70.311 12.288 1.00 6.98 C ATOM 1053 O TRP A 147 82.132 70.557 11.682 1.00 7.75 O ATOM 1054 CB TRP A 147 83.313 67.911 12.957 1.00 7.48 C ATOM 1055 CG TRP A 147 83.804 66.545 12.622 1.00 8.33 C ATOM 1056 CD1 TRP A 147 84.665 65.777 13.353 1.00 8.23 C ATOM 1057 CD2 TRP A 147 83.474 65.780 11.459 1.00 9.15 C ATOM 1058 NE1 TRP A 147 84.890 64.580 12.717 1.00 9.10 N ATOM 1059 CE2 TRP A 147 84.168 64.551 11.553 1.00 9.39 C ATOM 1060 CE3 TRP A 147 82.657 66.003 10.341 1.00 9.62 C ATOM 1061 CZ2 TRP A 147 84.071 63.557 10.578 1.00 9.97 C ATOM 1062 CZ3 TRP A 147 82.561 65.012 9.373 1.00 9.95 C ATOM 1063 CH2 TRP A 147 83.267 63.807 9.497 1.00 10.47 C ATOM 1064 HA TRP A 147 83.755 68.746 11.000 1.00 0.00 H ATOM 1065 HB2 TRP A 147 83.583 68.136 13.989 1.00 0.00 H ATOM 1066 HB3 TRP A 147 82.228 67.926 12.855 1.00 0.00 H ATOM 1067 HE1 TRP A 147 85.508 63.819 13.063 1.00 0.00 H ATOM 1068 HD1 TRP A 147 85.110 66.071 14.304 1.00 0.00 H ATOM 1069 HZ2 TRP A 147 84.615 62.617 10.673 1.00 0.00 H ATOM 1070 HH2 TRP A 147 83.174 63.052 8.716 1.00 0.00 H ATOM 1071 HZ3 TRP A 147 81.926 65.174 8.502 1.00 0.00 H ATOM 1072 HE3 TRP A 147 82.107 66.938 10.234 1.00 0.00 H ATOM 1073 H TRP A 147 85.729 68.952 13.218 1.00 0.00 H ATOM 1074 N PHE A 148 83.721 71.154 13.161 1.00 6.77 N ATOM 1075 CA PHE A 148 83.092 72.424 13.535 1.00 7.08 C ATOM 1076 C PHE A 148 84.081 73.588 13.485 1.00 7.09 C ATOM 1077 O PHE A 148 84.292 74.264 14.492 1.00 7.24 O ATOM 1078 CB PHE A 148 82.489 72.325 14.939 1.00 7.59 C ATOM 1079 CG PHE A 148 81.702 71.076 15.169 1.00 8.82 C ATOM 1080 CD1 PHE A 148 80.559 70.814 14.423 1.00 9.21 C ATOM 1081 CD2 PHE A 148 82.107 70.152 16.121 1.00 10.00 C ATOM 1082 CE1 PHE A 148 79.832 69.652 14.629 1.00 9.96 C ATOM 1083 CE2 PHE A 148 81.386 68.992 16.329 1.00 10.01 C ATOM 1084 CZ PHE A 148 80.250 68.739 15.586 1.00 10.01 C ATOM 1085 HA PHE A 148 82.304 72.620 12.808 1.00 0.00 H ATOM 1086 HB2 PHE A 148 83.301 72.359 15.666 1.00 0.00 H ATOM 1087 HB3 PHE A 148 81.830 73.180 15.092 1.00 0.00 H ATOM 1088 HD2 PHE A 148 83.003 70.343 16.711 1.00 0.00 H ATOM 1089 HE2 PHE A 148 81.715 68.275 17.081 1.00 0.00 H ATOM 1090 HZ PHE A 148 79.683 67.823 15.751 1.00 0.00 H ATOM 1091 HE1 PHE A 148 78.935 69.456 14.041 1.00 0.00 H ATOM 1092 HD1 PHE A 148 80.231 71.529 13.669 1.00 0.00 H ATOM 1093 H PHE A 148 84.632 70.901 13.595 1.00 0.00 H ATOM 1094 N PRO A 149 84.663 73.845 12.315 1.00 7.11 N ATOM 1095 CA PRO A 149 85.703 74.877 12.186 1.00 7.54 C ATOM 1096 C PRO A 149 85.231 76.311 12.463 1.00 7.65 C ATOM 1097 O PRO A 149 86.081 77.167 12.688 1.00 7.83 O ATOM 1098 CB PRO A 149 86.160 74.738 10.731 1.00 7.85 C ATOM 1099 CG PRO A 149 85.035 74.079 10.029 1.00 7.99 C ATOM 1100 CD PRO A 149 84.384 73.183 11.027 1.00 7.53 C ATOM 1101 HA PRO A 149 86.484 74.722 12.930 1.00 0.00 H ATOM 1102 HD3 PRO A 149 83.311 73.114 10.848 1.00 0.00 H ATOM 1103 HD2 PRO A 149 84.821 72.185 10.999 1.00 0.00 H ATOM 1104 HG3 PRO A 149 85.406 73.497 9.185 1.00 0.00 H ATOM 1105 HG2 PRO A 149 84.325 74.824 9.671 1.00 0.00 H ATOM 1106 HB2 PRO A 149 86.359 75.718 10.298 1.00 0.00 H ATOM 1107 HB3 PRO A 149 87.060 74.126 10.670 1.00 0.00 H ATOM 1108 N GLY A 150 83.923 76.564 12.428 1.00 8.69 N ATOM 1109 CA GLY A 150 83.368 77.876 12.740 1.00 9.05 C ATOM 1110 C GLY A 150 83.114 78.166 14.220 1.00 8.83 C ATOM 1111 O GLY A 150 82.655 79.256 14.565 1.00 8.85 O ATOM 1112 HA3 GLY A 150 82.418 77.969 12.214 1.00 0.00 H ATOM 1113 HA2 GLY A 150 84.063 78.629 12.368 1.00 0.00 H ATOM 1114 H GLY A 150 83.272 75.795 12.168 1.00 0.00 H ATOM 1115 N CYS A 151 83.404 77.207 15.096 1.00 7.80 N ATOM 1116 CA CYS A 151 83.205 77.386 16.534 1.00 7.26 C ATOM 1117 C CYS A 151 84.102 78.491 17.093 1.00 6.51 C ATOM 1118 O CYS A 151 85.309 78.450 16.918 1.00 6.40 O ATOM 1119 CB CYS A 151 83.513 76.089 17.270 1.00 7.32 C ATOM 1120 SG CYS A 151 83.292 76.190 19.054 1.00 5.93 S ATOM 1121 HA CYS A 151 82.163 77.669 16.685 1.00 0.00 H ATOM 1122 HB2 CYS A 151 84.549 75.817 17.067 1.00 0.00 H ATOM 1123 HB3 CYS A 151 82.853 75.311 16.886 1.00 0.00 H ATOM 1124 HG CYS A 151 83.595 74.970 19.623 1.00 0.00 H ATOM 1125 H CYS A 151 83.783 76.303 14.748 1.00 0.00 H ATOM 1126 N GLN A 152 83.515 79.457 17.790 1.00 6.74 N ATOM 1127 CA GLN A 152 84.275 80.597 18.293 1.00 7.78 C ATOM 1128 C GLN A 152 85.092 80.259 19.531 1.00 7.43 C ATOM 1129 O GLN A 152 86.105 80.911 19.798 1.00 7.50 O ATOM 1130 CB GLN A 152 83.349 81.788 18.562 1.00 10.25 C ATOM 1131 CG GLN A 152 82.659 82.304 17.304 1.00 13.80 C ATOM 1132 CD GLN A 152 83.650 82.709 16.222 1.00 16.65 C ATOM 1133 OE1 GLN A 152 84.273 83.766 16.317 1.00 18.55 O ATOM 1134 NE2 GLN A 152 83.814 81.860 15.203 1.00 17.79 N ATOM 1135 HA GLN A 152 84.986 80.870 17.513 1.00 0.00 H ATOM 1136 HB2 GLN A 152 82.585 81.480 19.276 1.00 0.00 H ATOM 1137 HB3 GLN A 152 83.940 82.597 18.991 1.00 0.00 H ATOM 1138 HG2 GLN A 152 82.014 81.518 16.911 1.00 0.00 H ATOM 1139 HG3 GLN A 152 82.054 83.172 17.567 1.00 0.00 H ATOM 1140 HE22 GLN A 152 83.264 80.978 15.167 1.00 0.00 H ATOM 1141 HE21 GLN A 152 84.492 82.081 14.446 1.00 0.00 H ATOM 1142 H GLN A 152 82.494 79.400 17.981 1.00 0.00 H ATOM 1143 N PHE A 153 84.664 79.243 20.279 1.00 6.42 N ATOM 1144 CA PHE A 153 85.460 78.740 21.397 1.00 6.54 C ATOM 1145 C PHE A 153 86.739 78.092 20.871 1.00 5.43 C ATOM 1146 O PHE A 153 87.829 78.337 21.385 1.00 6.23 O ATOM 1147 CB PHE A 153 84.670 77.736 22.238 1.00 6.94 C ATOM 1148 CG PHE A 153 85.480 77.117 23.344 1.00 6.01 C ATOM 1149 CD1 PHE A 153 85.831 77.862 24.453 1.00 8.22 C ATOM 1150 CD2 PHE A 153 85.912 75.799 23.260 1.00 7.45 C ATOM 1151 CE1 PHE A 153 86.586 77.303 25.473 1.00 9.70 C ATOM 1152 CE2 PHE A 153 86.669 75.236 24.283 1.00 8.09 C ATOM 1153 CZ PHE A 153 87.006 75.993 25.384 1.00 8.79 C ATOM 1154 HA PHE A 153 85.716 79.584 22.038 1.00 0.00 H ATOM 1155 HB2 PHE A 153 83.817 78.251 22.680 1.00 0.00 H ATOM 1156 HB3 PHE A 153 84.314 76.941 21.583 1.00 0.00 H ATOM 1157 HD2 PHE A 153 85.656 75.201 22.385 1.00 0.00 H ATOM 1158 HE2 PHE A 153 86.995 74.198 24.214 1.00 0.00 H ATOM 1159 HZ PHE A 153 87.604 75.556 26.184 1.00 0.00 H ATOM 1160 HE1 PHE A 153 86.848 77.900 26.346 1.00 0.00 H ATOM 1161 HD1 PHE A 153 85.511 78.901 24.527 1.00 0.00 H ATOM 1162 H PHE A 153 83.748 78.800 20.064 1.00 0.00 H ATOM 1163 N LEU A 154 86.594 77.249 19.853 1.00 4.68 N ATOM 1164 CA LEU A 154 87.735 76.680 19.143 1.00 6.00 C ATOM 1165 C LEU A 154 88.681 77.770 18.636 1.00 6.18 C ATOM 1166 O LEU A 154 89.892 77.682 18.829 1.00 6.84 O ATOM 1167 CB LEU A 154 87.241 75.829 17.969 1.00 6.62 C ATOM 1168 CG LEU A 154 88.250 75.401 16.902 1.00 8.12 C ATOM 1169 CD1 LEU A 154 89.216 74.387 17.486 1.00 8.64 C ATOM 1170 CD2 LEU A 154 87.521 74.839 15.693 1.00 8.60 C ATOM 1171 HA LEU A 154 88.291 76.055 19.842 1.00 0.00 H ATOM 1172 HB2 LEU A 154 86.811 74.920 18.389 1.00 0.00 H ATOM 1173 HB3 LEU A 154 86.461 76.399 17.464 1.00 0.00 H ATOM 1174 HG LEU A 154 88.824 76.267 16.574 1.00 0.00 H ATOM 1175 HD21 LEU A 154 86.930 73.975 15.996 1.00 0.00 H ATOM 1176 HD22 LEU A 154 86.863 75.603 15.279 1.00 0.00 H ATOM 1177 HD23 LEU A 154 88.249 74.537 14.939 1.00 0.00 H ATOM 1178 HD11 LEU A 154 89.747 74.835 18.326 1.00 0.00 H ATOM 1179 HD12 LEU A 154 88.661 73.514 17.829 1.00 0.00 H ATOM 1180 HD13 LEU A 154 89.932 74.086 16.721 1.00 0.00 H ATOM 1181 H LEU A 154 85.634 76.986 19.552 1.00 0.00 H ATOM 1182 N LEU A 155 88.132 78.797 17.994 1.00 5.33 N ATOM 1183 CA LEU A 155 88.957 79.867 17.429 1.00 5.32 C ATOM 1184 C LEU A 155 89.706 80.621 18.529 1.00 5.39 C ATOM 1185 O LEU A 155 90.906 80.852 18.420 1.00 4.43 O ATOM 1186 CB LEU A 155 88.105 80.838 16.601 1.00 5.99 C ATOM 1187 CG LEU A 155 88.795 82.110 16.101 1.00 6.14 C ATOM 1188 CD1 LEU A 155 89.994 81.763 15.218 1.00 6.73 C ATOM 1189 CD2 LEU A 155 87.804 83.003 15.361 1.00 7.01 C ATOM 1190 HA LEU A 155 89.691 79.406 16.769 1.00 0.00 H ATOM 1191 HB2 LEU A 155 87.741 80.296 15.728 1.00 0.00 H ATOM 1192 HB3 LEU A 155 87.259 81.142 17.217 1.00 0.00 H ATOM 1193 HG LEU A 155 89.165 82.664 16.964 1.00 0.00 H ATOM 1194 HD21 LEU A 155 87.397 82.462 14.507 1.00 0.00 H ATOM 1195 HD22 LEU A 155 86.994 83.282 16.035 1.00 0.00 H ATOM 1196 HD23 LEU A 155 88.315 83.901 15.014 1.00 0.00 H ATOM 1197 HD11 LEU A 155 90.710 81.176 15.794 1.00 0.00 H ATOM 1198 HD12 LEU A 155 89.655 81.184 14.359 1.00 0.00 H ATOM 1199 HD13 LEU A 155 90.469 82.682 14.874 1.00 0.00 H ATOM 1200 H LEU A 155 87.098 78.841 17.891 1.00 0.00 H ATOM 1201 N ARG A 156 88.995 80.991 19.592 1.00 6.61 N ATOM 1202 CA ARG A 156 89.594 81.752 20.687 1.00 7.89 C ATOM 1203 C ARG A 156 90.699 80.949 21.366 1.00 6.57 C ATOM 1204 O ARG A 156 91.736 81.501 21.709 1.00 6.24 O ATOM 1205 CB ARG A 156 88.536 82.171 21.715 1.00 9.73 C ATOM 1206 CG ARG A 156 89.020 83.207 22.730 1.00 12.20 C ATOM 1207 CD ARG A 156 88.736 84.655 22.329 1.00 17.32 C ATOM 1208 NE ARG A 156 88.408 85.525 23.450 1.00 20.81 N ATOM 1209 CZ ARG A 156 87.968 86.779 23.345 1.00 21.97 C ATOM 1210 NH1 ARG A 156 87.790 87.342 22.162 1.00 22.78 N ATOM 1211 NH2 ARG A 156 87.699 87.479 24.433 1.00 23.09 N ATOM 1212 HA ARG A 156 90.032 82.654 20.260 1.00 0.00 H ATOM 1213 HB2 ARG A 156 87.685 82.590 21.178 1.00 0.00 H ATOM 1214 HB3 ARG A 156 88.218 81.282 22.260 1.00 0.00 H ATOM 1215 HG2 ARG A 156 88.525 83.012 23.681 1.00 0.00 H ATOM 1216 HG3 ARG A 156 90.097 83.090 22.852 1.00 0.00 H ATOM 1217 HD2 ARG A 156 87.897 84.660 21.633 1.00 0.00 H ATOM 1218 HD3 ARG A 156 89.621 85.054 21.832 1.00 0.00 H ATOM 1219 HE ARG A 156 88.526 85.137 24.408 1.00 0.00 H ATOM 1220 HH12 ARG A 156 87.446 88.321 22.099 1.00 0.00 H ATOM 1221 HH11 ARG A 156 87.994 86.805 21.295 1.00 0.00 H ATOM 1222 HH22 ARG A 156 87.356 88.457 24.350 1.00 0.00 H ATOM 1223 HH21 ARG A 156 87.831 87.052 25.372 1.00 0.00 H ATOM 1224 H ARG A 156 87.989 80.732 19.645 1.00 0.00 H ATOM 1225 N SER A 157 90.482 79.644 21.520 1.00 5.70 N ATOM 1226 CA SER A 157 91.399 78.778 22.254 1.00 6.28 C ATOM 1227 C SER A 157 92.634 78.414 21.444 1.00 6.38 C ATOM 1228 O SER A 157 93.754 78.482 21.953 1.00 6.69 O ATOM 1229 CB SER A 157 90.683 77.492 22.692 1.00 6.90 C ATOM 1230 OG SER A 157 89.546 77.780 23.480 1.00 7.87 O ATOM 1231 HA SER A 157 91.728 79.341 23.128 1.00 0.00 H ATOM 1232 HB2 SER A 157 91.373 76.882 23.274 1.00 0.00 H ATOM 1233 HB3 SER A 157 90.370 76.940 21.806 1.00 0.00 H ATOM 1234 HG SER A 157 88.913 78.330 22.955 1.00 0.00 H ATOM 1235 H SER A 157 89.627 79.226 21.101 1.00 0.00 H ATOM 1236 N LYS A 158 92.425 78.043 20.181 1.00 6.46 N ATOM 1237 CA LYS A 158 93.465 77.442 19.344 1.00 6.47 C ATOM 1238 C LYS A 158 93.998 78.322 18.197 1.00 5.80 C ATOM 1239 O LYS A 158 95.077 78.055 17.663 1.00 5.23 O ATOM 1240 CB LYS A 158 92.947 76.117 18.767 1.00 6.54 C ATOM 1241 CG LYS A 158 92.599 75.051 19.808 1.00 7.79 C ATOM 1242 CD LYS A 158 93.805 74.581 20.626 1.00 9.25 C ATOM 1243 CE LYS A 158 94.716 73.678 19.831 1.00 11.69 C ATOM 1244 NZ LYS A 158 95.981 73.407 20.557 1.00 12.84 N ATOM 1245 HA LYS A 158 94.316 77.298 20.009 1.00 0.00 H ATOM 1246 HB2 LYS A 158 92.049 76.329 18.186 1.00 0.00 H ATOM 1247 HB3 LYS A 158 93.716 75.710 18.110 1.00 0.00 H ATOM 1248 HG2 LYS A 158 91.858 75.465 20.492 1.00 0.00 H ATOM 1249 HG3 LYS A 158 92.175 74.190 19.292 1.00 0.00 H ATOM 1250 HD2 LYS A 158 94.371 75.454 20.950 1.00 0.00 H ATOM 1251 HD3 LYS A 158 93.446 74.037 21.500 1.00 0.00 H ATOM 1252 HE2 LYS A 158 94.949 74.157 18.880 1.00 0.00 H ATOM 1253 HE3 LYS A 158 94.205 72.734 19.645 1.00 0.00 H ATOM 1254 HZ1 LYS A 158 96.477 74.304 20.733 1.00 0.00 H ATOM 1255 HZ2 LYS A 158 95.767 72.944 21.463 1.00 0.00 H ATOM 1256 HZ3 LYS A 158 96.583 72.784 19.982 1.00 0.00 H ATOM 1257 H LYS A 158 91.480 78.187 19.771 1.00 0.00 H ATOM 1258 N GLY A 159 93.248 79.351 17.809 1.00 5.27 N ATOM 1259 CA GLY A 159 93.672 80.261 16.762 1.00 5.57 C ATOM 1260 C GLY A 159 93.343 79.757 15.368 1.00 4.55 C ATOM 1261 O GLY A 159 93.101 78.566 15.152 1.00 4.69 O ATOM 1262 HA3 GLY A 159 94.751 80.398 16.836 1.00 0.00 H ATOM 1263 HA2 GLY A 159 93.174 81.219 16.912 1.00 0.00 H ATOM 1264 H GLY A 159 92.329 79.507 18.271 1.00 0.00 H ATOM 1265 N GLN A 160 93.352 80.675 14.410 1.00 4.46 N ATOM 1266 CA GLN A 160 92.935 80.370 13.049 1.00 5.28 C ATOM 1267 C GLN A 160 93.937 79.491 12.310 1.00 5.85 C ATOM 1268 O GLN A 160 93.539 78.668 11.494 1.00 7.37 O ATOM 1269 CB GLN A 160 92.695 81.661 12.255 1.00 6.76 C ATOM 1270 CG GLN A 160 91.982 81.453 10.917 1.00 9.33 C ATOM 1271 CD GLN A 160 90.614 80.799 11.071 1.00 11.34 C ATOM 1272 OE1 GLN A 160 89.749 81.322 11.772 1.00 13.16 O ATOM 1273 NE2 GLN A 160 90.426 79.650 10.430 1.00 11.51 N ATOM 1274 HA GLN A 160 92.004 79.809 13.129 1.00 0.00 H ATOM 1275 HB2 GLN A 160 92.088 82.330 12.865 1.00 0.00 H ATOM 1276 HB3 GLN A 160 93.661 82.126 12.059 1.00 0.00 H ATOM 1277 HG2 GLN A 160 91.852 82.423 10.437 1.00 0.00 H ATOM 1278 HG3 GLN A 160 92.603 80.817 10.286 1.00 0.00 H ATOM 1279 HE22 GLN A 160 91.189 79.248 9.849 1.00 0.00 H ATOM 1280 HE21 GLN A 160 89.516 79.153 10.510 1.00 0.00 H ATOM 1281 H GLN A 160 93.666 81.640 14.638 1.00 0.00 H ATOM 1282 N GLU A 161 95.227 79.673 12.580 1.00 5.27 N ATOM 1283 CA GLU A 161 96.269 78.902 11.897 1.00 5.15 C ATOM 1284 C GLU A 161 96.111 77.405 12.154 1.00 4.76 C ATOM 1285 O GLU A 161 96.269 76.594 11.240 1.00 3.61 O ATOM 1286 CB GLU A 161 97.665 79.366 12.325 1.00 6.40 C ATOM 1287 CG GLU A 161 97.996 80.703 11.854 1.00 11.60 C ATOM 1288 CD GLU A 161 98.158 80.724 10.360 1.00 15.18 C ATOM 1289 OE1 GLU A 161 99.032 79.993 9.848 1.00 19.03 O ATOM 1290 OE2 GLU A 161 97.407 81.465 9.696 1.00 18.37 O ATOM 1291 HA GLU A 161 96.156 79.079 10.827 1.00 0.00 H ATOM 1292 HB2 GLU A 161 97.713 79.360 13.414 1.00 0.00 H ATOM 1293 HB3 GLU A 161 98.400 78.667 11.927 1.00 0.00 H ATOM 1294 HG2 GLU A 161 97.197 81.388 12.136 1.00 0.00 H ATOM 1295 HG3 GLU A 161 98.928 81.024 12.318 1.00 0.00 H ATOM 1296 H GLU A 161 95.502 80.379 13.292 1.00 0.00 H ATOM 1297 N TYR A 162 95.787 77.060 13.400 1.00 4.75 N ATOM 1298 CA TYR A 162 95.564 75.678 13.815 1.00 5.35 C ATOM 1299 C TYR A 162 94.398 75.061 13.039 1.00 6.23 C ATOM 1300 O TYR A 162 94.508 73.948 12.521 1.00 6.64 O ATOM 1301 CB TYR A 162 95.303 75.618 15.329 1.00 5.40 C ATOM 1302 CG TYR A 162 94.923 74.245 15.829 1.00 5.72 C ATOM 1303 CD1 TYR A 162 95.900 73.318 16.160 1.00 7.25 C ATOM 1304 CD2 TYR A 162 93.586 73.866 15.946 1.00 5.78 C ATOM 1305 CE1 TYR A 162 95.563 72.051 16.604 1.00 8.09 C ATOM 1306 CE2 TYR A 162 93.238 72.604 16.388 1.00 6.71 C ATOM 1307 CZ TYR A 162 94.233 71.700 16.717 1.00 8.20 C ATOM 1308 OH TYR A 162 93.904 70.439 17.157 1.00 9.93 O ATOM 1309 HA TYR A 162 96.460 75.098 13.593 1.00 0.00 H ATOM 1310 HB3 TYR A 162 94.492 76.307 15.566 1.00 0.00 H ATOM 1311 HB2 TYR A 162 96.209 75.934 15.847 1.00 0.00 H ATOM 1312 HD2 TYR A 162 92.802 74.577 15.684 1.00 0.00 H ATOM 1313 HE2 TYR A 162 92.189 72.323 16.477 1.00 0.00 H ATOM 1314 HE1 TYR A 162 96.343 71.335 16.863 1.00 0.00 H ATOM 1315 HD1 TYR A 162 96.951 73.592 16.069 1.00 0.00 H ATOM 1316 HH TYR A 162 94.732 69.930 17.345 1.00 0.00 H ATOM 1317 H TYR A 162 95.688 77.812 14.112 1.00 0.00 H ATOM 1318 N ILE A 163 93.291 75.794 12.954 1.00 6.97 N ATOM 1319 CA ILE A 163 92.105 75.338 12.221 1.00 7.51 C ATOM 1320 C ILE A 163 92.420 75.153 10.730 1.00 8.24 C ATOM 1321 O ILE A 163 92.063 74.134 10.137 1.00 8.59 O ATOM 1322 CB ILE A 163 90.922 76.333 12.400 1.00 7.56 C ATOM 1323 CG1 ILE A 163 90.544 76.480 13.877 1.00 7.76 C ATOM 1324 CG2 ILE A 163 89.709 75.882 11.583 1.00 8.21 C ATOM 1325 CD1 ILE A 163 89.629 77.652 14.164 1.00 8.22 C ATOM 1326 HA ILE A 163 91.810 74.374 12.635 1.00 0.00 H ATOM 1327 HB ILE A 163 91.246 77.307 12.033 1.00 0.00 H ATOM 1328 HG12 ILE A 163 90.042 75.566 14.195 1.00 0.00 H ATOM 1329 HG13 ILE A 163 91.459 76.610 14.454 1.00 0.00 H ATOM 1330 HD11 ILE A 163 90.120 78.577 13.863 1.00 0.00 H ATOM 1331 HD12 ILE A 163 88.702 77.533 13.604 1.00 0.00 H ATOM 1332 HD13 ILE A 163 89.409 77.687 15.231 1.00 0.00 H ATOM 1333 HG21 ILE A 163 89.979 75.840 10.528 1.00 0.00 H ATOM 1334 HG22 ILE A 163 89.394 74.894 11.918 1.00 0.00 H ATOM 1335 HG23 ILE A 163 88.894 76.592 11.723 1.00 0.00 H ATOM 1336 H ILE A 163 93.266 76.722 13.423 1.00 0.00 H ATOM 1337 N ASN A 164 93.093 76.135 10.134 1.00 8.45 N ATOM 1338 CA ASN A 164 93.440 76.093 8.716 1.00 9.62 C ATOM 1339 C ASN A 164 94.317 74.892 8.379 1.00 11.02 C ATOM 1340 O ASN A 164 94.136 74.257 7.342 1.00 13.00 O ATOM 1341 CB ASN A 164 94.158 77.383 8.285 1.00 9.47 C ATOM 1342 CG ASN A 164 93.244 78.603 8.287 1.00 10.42 C ATOM 1343 OD1 ASN A 164 92.024 78.490 8.405 1.00 11.06 O ATOM 1344 ND2 ASN A 164 93.840 79.781 8.158 1.00 11.11 N ATOM 1345 HA ASN A 164 92.502 76.000 8.168 1.00 0.00 H ATOM 1346 HB2 ASN A 164 94.984 77.567 8.972 1.00 0.00 H ATOM 1347 HB3 ASN A 164 94.549 77.243 7.277 1.00 0.00 H ATOM 1348 HD22 ASN A 164 94.874 79.833 8.061 1.00 0.00 H ATOM 1349 HD21 ASN A 164 93.273 80.653 8.154 1.00 0.00 H ATOM 1350 H ASN A 164 93.381 76.960 10.697 1.00 0.00 H ATOM 1351 N ASN A 165 95.256 74.580 9.267 1.00 11.96 N ATOM 1352 CA ASN A 165 96.212 73.502 9.039 1.00 15.00 C ATOM 1353 C ASN A 165 95.559 72.118 9.086 1.00 15.79 C ATOM 1354 O ASN A 165 96.012 71.196 8.406 1.00 16.02 O ATOM 1355 CB ASN A 165 97.370 73.583 10.045 1.00 17.17 C ATOM 1356 CG ASN A 165 98.364 74.695 9.714 1.00 19.47 C ATOM 1357 OD1 ASN A 165 98.348 75.267 8.618 1.00 20.73 O ATOM 1358 ND2 ASN A 165 99.239 75.002 10.667 1.00 20.43 N ATOM 1359 HA ASN A 165 96.605 73.636 8.031 1.00 0.00 H ATOM 1360 HB2 ASN A 165 96.958 73.768 11.037 1.00 0.00 H ATOM 1361 HB3 ASN A 165 97.900 72.630 10.045 1.00 0.00 H ATOM 1362 HD22 ASN A 165 99.218 74.496 11.575 1.00 0.00 H ATOM 1363 HD21 ASN A 165 99.945 75.748 10.504 1.00 0.00 H ATOM 1364 H ASN A 165 95.311 75.122 10.153 1.00 0.00 H ATOM 1365 N ILE A 166 94.497 71.978 9.878 1.00 16.41 N ATOM 1366 CA ILE A 166 93.752 70.722 9.935 1.00 17.93 C ATOM 1367 C ILE A 166 92.970 70.494 8.640 1.00 19.20 C ATOM 1368 O ILE A 166 92.835 69.356 8.192 1.00 20.18 O ATOM 1369 CB ILE A 166 92.858 70.677 11.194 1.00 18.63 C ATOM 1370 CG1 ILE A 166 93.724 70.296 12.395 1.00 19.47 C ATOM 1371 CG2 ILE A 166 91.716 69.668 11.048 1.00 18.84 C ATOM 1372 CD1 ILE A 166 93.229 70.792 13.677 1.00 19.79 C ATOM 1373 HA ILE A 166 94.456 69.895 10.021 1.00 0.00 H ATOM 1374 HB ILE A 166 92.411 71.661 11.334 1.00 0.00 H ATOM 1375 HG12 ILE A 166 93.776 69.208 12.447 1.00 0.00 H ATOM 1376 HG13 ILE A 166 94.724 70.699 12.236 1.00 0.00 H ATOM 1377 HD11 ILE A 166 93.182 71.881 13.650 1.00 0.00 H ATOM 1378 HD12 ILE A 166 92.233 70.389 13.861 1.00 0.00 H ATOM 1379 HD13 ILE A 166 93.904 70.475 14.473 1.00 0.00 H ATOM 1380 HG21 ILE A 166 91.094 69.946 10.197 1.00 0.00 H ATOM 1381 HG22 ILE A 166 92.131 68.673 10.887 1.00 0.00 H ATOM 1382 HG23 ILE A 166 91.113 69.670 11.956 1.00 0.00 H ATOM 1383 H ILE A 166 94.192 72.779 10.468 1.00 0.00 H ATOM 1384 N HIS A 167 92.484 71.573 8.032 1.00 19.51 N ATOM 1385 CA HIS A 167 91.887 71.505 6.701 1.00 20.08 C ATOM 1386 C HIS A 167 92.963 71.721 5.641 1.00 20.94 C ATOM 1387 O HIS A 167 92.676 71.728 4.446 1.00 22.07 O ATOM 1388 CB HIS A 167 90.780 72.550 6.550 1.00 19.87 C ATOM 1389 CG HIS A 167 89.605 72.307 7.441 1.00 20.26 C ATOM 1390 ND1 HIS A 167 89.628 72.589 8.789 1.00 20.46 N ATOM 1391 CD2 HIS A 167 88.377 71.796 7.183 1.00 20.26 C ATOM 1392 CE1 HIS A 167 88.464 72.269 9.322 1.00 19.96 C ATOM 1393 NE2 HIS A 167 87.687 71.783 8.371 1.00 20.36 N ATOM 1394 HA HIS A 167 91.445 70.518 6.567 1.00 0.00 H ATOM 1395 HB2 HIS A 167 91.195 73.530 6.786 1.00 0.00 H ATOM 1396 HB3 HIS A 167 90.436 72.542 5.516 1.00 0.00 H ATOM 1397 HD2 HIS A 167 88.006 71.459 6.215 1.00 0.00 H ATOM 1398 HE1 HIS A 167 88.190 72.386 10.370 1.00 0.00 H ATOM 1399 H HIS A 167 92.531 72.491 8.518 1.00 0.00 H TER 1400 HIS A 167 HETATM 1401 ZN ZN A 1 82.576 74.034 19.490 1.00 6.78 ZN HETATM 1402 O HOH 2 96.619 78.794 15.708 1.00 24.95 O HETATM 1403 O HOH 3 92.815 60.117 22.127 1.00 39.42 O HETATM 1404 O HOH 4 90.386 69.033 31.462 1.00 26.10 O HETATM 1405 O HOH 5 92.365 68.896 24.509 1.00 24.98 O HETATM 1406 O HOH 6 86.552 76.626 29.212 1.00 29.12 O HETATM 1407 O HOH 7 91.854 63.154 15.716 1.00 29.22 O HETATM 1408 O HOH 8 77.333 63.110 31.754 1.00 28.06 O HETATM 1409 O HOH 9 75.882 75.308 34.786 1.00 23.62 O HETATM 1410 O HOH 10 79.637 60.200 32.238 1.00 24.06 O HETATM 1411 O HOH 11 93.406 58.579 29.753 1.00 24.88 O HETATM 1412 O HOH 12 91.728 60.230 32.290 1.00 38.77 O HETATM 1413 O HOH 13 81.391 74.986 11.967 1.00 34.64 O HETATM 1414 O HOH 14 74.854 82.644 25.047 1.00 29.35 O HETATM 1415 O HOH 15 72.655 69.724 26.346 1.00 23.59 O HETATM 1416 O HOH 16 92.882 67.637 22.157 1.00 27.01 O HETATM 1417 O HOH 17 79.699 76.785 33.622 1.00 36.86 O HETATM 1418 O HOH 18 79.550 80.286 29.604 1.00 35.71 O HETATM 1419 O HOH 19 85.362 58.009 36.874 1.00 40.21 O HETATM 1420 O HOH 20 86.281 62.676 35.042 1.00 42.28 O HETATM 1421 O HOH 21 86.436 54.228 30.656 1.00 28.83 O HETATM 1422 O HOH 22 86.797 77.037 32.192 1.00 27.64 O HETATM 1423 O HOH 23 94.480 58.149 24.329 1.00 45.28 O HETATM 1424 O HOH 24 96.243 61.089 20.186 1.00 44.23 O HETATM 1425 O HOH 25 90.148 84.162 12.075 1.00 44.14 O HETATM 1426 O HOH 26 89.278 52.265 18.369 1.00 36.77 O HETATM 1427 O HOH 27 86.991 75.347 35.341 1.00 30.24 O HETATM 1428 O HOH 28 86.168 79.155 14.221 1.00 33.35 O HETATM 1429 O HOH 29 72.815 62.169 24.054 1.00 41.15 O HETATM 1430 O HOH 30 87.412 61.995 11.964 1.00 38.02 O HETATM 1431 O HOH 31 80.434 79.564 17.328 1.00 29.46 O HETATM 1432 O HOH 32 92.480 54.882 16.196 1.00 44.18 O HETATM 1433 O HOH 33 84.511 79.212 28.760 1.00 40.58 O HETATM 1434 O HOH 34 89.757 52.606 28.771 1.00 31.73 O HETATM 1435 O HOH 35 91.347 83.457 18.192 1.00 25.33 O HETATM 1436 O HOH 36 97.028 76.130 18.449 1.00 41.42 O HETATM 1437 O HOH 37 75.633 83.580 27.705 1.00 38.88 O HETATM 1438 O HOH 38 94.233 70.179 26.105 1.00 36.39 O HETATM 1439 O HOH 39 76.907 76.382 37.166 1.00 28.85 O HETATM 1440 O HOH 40 78.520 55.577 28.210 1.00 36.13 O HETATM 1441 O HOH 41 89.084 77.313 28.319 1.00 37.86 O HETATM 1442 O HOH 42 72.018 64.828 23.389 1.00 41.73 O HETATM 1443 O HOH 43 76.257 68.375 15.557 1.00 39.26 O HETATM 1444 O HOH 44 95.710 69.024 18.528 1.00 32.52 O HETATM 1445 O HOH 45 86.343 60.037 34.269 1.00 46.20 O HETATM 1446 O HOH 46 96.130 65.170 15.569 1.00 50.12 O HETATM 1447 O HOH 47 79.874 77.585 36.130 1.00 49.85 O HETATM 1448 O HOH 48 85.013 56.670 33.427 1.00 45.37 O HETATM 1449 O HOH 49 96.747 72.238 13.178 1.00 35.79 O HETATM 1450 O HOH 50 97.392 76.023 21.621 1.00 39.44 O HETATM 1451 O HOH 51 82.971 75.799 37.714 1.00 37.79 O HETATM 1452 O HOH 52 79.234 55.171 19.614 1.00 52.64 O HETATM 1453 O HOH 53 92.669 65.138 36.060 1.00 39.01 O HETATM 1454 O HOH 54 83.667 54.589 20.084 1.00 31.67 O HETATM 1455 O HOH 55 75.001 54.550 27.523 1.00 42.29 O HETATM 1456 O HOH 56 73.134 57.371 17.072 1.00 51.56 O HETATM 1457 O HOH 57 95.959 82.664 10.883 1.00 43.08 O HETATM 1458 O HOH 58 90.370 77.340 25.984 1.00 36.07 O HETATM 1459 O HOH 59 92.362 68.624 33.130 1.00 44.35 O HETATM 1460 O HOH 60 90.499 61.380 35.296 1.00 39.00 O HETATM 1461 O HOH 61 92.255 67.721 35.885 1.00 47.48 O HETATM 1462 O HOH 62 89.222 54.556 34.675 1.00 47.06 O HETATM 1463 O HOH 63 73.453 62.813 31.287 1.00 40.79 O HETATM 1464 O HOH 64 89.115 58.620 13.786 1.00 43.20 O HETATM 1465 O HOH 65 102.235 81.365 11.130 1.00 42.44 O HETATM 1466 O HOH 66 94.723 70.024 28.776 1.00 50.19 O HETATM 1467 O HOH 67 76.734 72.625 15.362 1.00 50.35 O HETATM 1468 O HOH 68 78.367 82.702 29.200 1.00 43.39 O HETATM 1469 O HOH 69 89.721 81.952 25.954 1.00 55.45 O HETATM 1470 O HOH 70 92.324 74.528 29.617 1.00 45.34 O HETATM 1471 O HOH 71 79.981 68.839 10.820 1.00 46.31 O HETATM 1472 O HOH 72 83.630 70.722 8.439 1.00 48.26 O HETATM 1473 O HOH 73 79.389 68.431 35.640 1.00 38.80 O HETATM 1474 O HOH 74 77.420 79.221 19.057 1.00 46.00 O HETATM 1475 O HOH 75 77.224 59.169 32.508 1.00 37.52 O HETATM 1476 O HOH 76 78.923 76.128 39.005 1.00 45.56 O HETATM 1477 O HOH 77 80.316 72.642 10.950 1.00 46.54 O HETATM 1478 O HOH 78 90.862 74.689 27.165 1.00 43.11 O HETATM 1479 O HOH 79 93.252 71.928 30.555 1.00 43.39 O HETATM 1480 O HOH 80 89.562 76.376 32.174 1.00 40.79 O HETATM 1481 O HOH 81 87.438 78.535 10.415 1.00 40.97 O HETATM 1482 O HOH 82 84.257 57.093 13.896 1.00 42.29 O HETATM 1483 O HOH 83 83.211 73.769 39.368 1.00 38.55 O HETATM 1484 O HOH 84 92.475 57.988 15.894 1.00 46.25 O HETATM 1485 O HOH 85 95.834 63.620 21.980 1.00 43.93 O HETATM 1486 O HOH 86 96.638 52.237 17.452 1.00 41.50 O HETATM 1487 O HOH 87 93.657 61.923 22.891 1.00 43.67 O HETATM 1488 O HOH 88 76.370 56.677 33.875 1.00 46.55 O HETATM 1489 O HOH 89 92.778 49.494 21.998 1.00 49.39 O HETATM 1490 O HOH 90 89.732 59.145 34.281 1.00 51.59 O HETATM 1491 O HOH 91 82.975 53.499 17.668 1.00 47.23 O HETATM 1492 O HOH 92 88.144 50.383 27.012 1.00 50.40 O HETATM 1493 O HOH 93 71.193 60.464 23.186 1.00 49.13 O HETATM 1494 O HOH 94 75.682 61.251 32.624 1.00 49.98 O HETATM 1495 O HOH 95 92.866 82.607 7.627 1.00 52.31 O HETATM 1496 O HOH 96 87.526 53.371 20.765 1.00 47.51 O HETATM 1497 O HOH 97 80.938 53.621 30.801 1.00 47.59 O HETATM 1498 O HOH 98 92.170 49.963 24.384 1.00 48.37 O HETATM 1499 O HOH 99 84.271 50.875 29.007 1.00 46.45 O HETATM 1500 O HOH 100 81.999 80.502 28.481 1.00 48.02 O HETATM 1501 O HOH 101 90.912 55.847 13.888 1.00 51.31 O HETATM 1502 O HOH 102 96.532 79.713 7.802 1.00 52.48 O HETATM 1503 O HOH 103 87.234 80.949 25.914 1.00 48.82 O HETATM 1504 O HOH 104 79.308 56.103 13.724 1.00 49.51 O HETATM 1505 O HOH 105 77.380 56.555 20.110 1.00 51.05 O HETATM 1506 O HOH 106 81.920 53.390 23.806 1.00 48.45 O HETATM 1507 O HOH 107 82.169 81.384 26.014 1.00 46.54 O HETATM 1508 O HOH 108 70.923 60.284 20.080 1.00 60.04 O HETATM 1509 O HOH 109 76.748 80.512 32.802 1.00 55.75 O HETATM 1510 O HOH 110 81.326 83.917 25.537 1.00 43.95 O HETATM 1511 O HOH 111 79.442 52.786 25.622 1.00 51.31 O HETATM 1512 O HOH 112 79.641 77.597 15.155 1.00 48.18 O HETATM 1513 O HOH 113 86.311 55.223 35.194 1.00 49.36 O HETATM 1514 O HOH 114 88.932 85.019 19.443 1.00 54.38 O HETATM 1515 O HOH 115 96.366 70.728 20.350 1.00 49.64 O HETATM 1516 O HOH 116 86.289 58.529 13.110 1.00 35.78 O HETATM 1517 O HOH 117 75.934 66.275 16.555 1.00 49.27 O HETATM 1518 O HOH 118 85.753 60.041 10.973 1.00 53.45 O HETATM 1519 N ALA A 119 86.352 60.513 15.124 1.00 0.24 N HETATM 1520 CA ALA A 119 84.934 60.657 15.562 1.00 0.06 C HETATM 1521 C ALA A 119 84.095 61.216 14.424 1.00 0.23 C HETATM 1522 O ALA A 119 84.632 61.665 13.416 1.00 -0.39 O HETATM 1523 N ALA A 119 82.776 61.172 14.586 1.00 -0.26 N HETATM 1524 CA ALA A 119 81.845 61.690 13.584 1.00 0.13 C HETATM 1525 C ALA A 119 80.683 62.430 14.247 1.00 0.21 C HETATM 1526 O ALA A 119 80.325 62.121 15.380 1.00 -0.39 O HETATM 1527 N ALA A 119 80.079 63.395 13.554 1.00 -0.25 N HETATM 1528 CA ALA A 119 78.939 64.130 14.123 1.00 0.13 C HETATM 1529 C ALA A 119 77.676 63.276 14.310 1.00 0.20 C HETATM 1530 O ALA A 119 77.538 62.241 13.660 1.00 -0.39 O HETATM 1531 N ALA A 119 76.775 63.712 15.191 1.00 -0.27 N HETATM 1532 CA ALA A 119 75.459 63.067 15.342 1.00 0.10 C HETATM 1533 C ALA A 119 74.317 64.058 15.587 1.00 0.06 C HETATM 1534 O ALA A 119 73.195 63.923 15.091 1.00 -0.57 O HETATM 1535 OXT ALA A 119 74.441 65.045 16.306 1.00 -0.57 O HETATM 1536 CB ALA A 119 75.496 62.045 16.476 1.00 -0.00 C HETATM 1537 CG ALA A 119 75.858 62.631 17.791 1.00 -0.04 C HETATM 1538 CD1 ALA A 119 77.108 62.941 18.233 1.00 0.02 C HETATM 1539 NE1 ALA A 119 77.048 63.464 19.503 1.00 -0.29 N HETATM 1540 CE2 ALA A 119 75.739 63.503 19.902 1.00 0.06 C HETATM 1541 CD2 ALA A 119 74.961 62.982 18.846 1.00 -0.02 C HETATM 1542 CE3 ALA A 119 73.573 62.907 19.010 1.00 -0.07 C HETATM 1543 CZ3 ALA A 119 73.018 63.347 20.200 1.00 -0.08 C HETATM 1544 CH2 ALA A 119 73.823 63.855 21.227 1.00 -0.08 C HETATM 1545 CZ2 ALA A 119 75.180 63.945 21.096 1.00 -0.04 C HETATM 1546 H31 ALA A 119 75.797 64.346 21.892 1.00 0.05 H HETATM 1547 H33 ALA A 119 73.358 64.185 22.149 1.00 0.05 H HETATM 1548 H32 ALA A 119 71.944 63.297 20.339 1.00 0.05 H HETATM 1549 H30 ALA A 119 72.944 62.512 18.220 1.00 0.05 H HETATM 1550 H29 ALA A 119 77.855 63.775 20.062 1.00 0.22 H HETATM 1551 H28 ALA A 119 78.024 62.795 17.662 1.00 0.08 H HETATM 1552 H26 ALA A 119 76.237 61.272 16.224 1.00 0.04 H HETATM 1553 H27 ALA A 119 74.501 61.585 16.562 1.00 0.04 H HETATM 1554 H25 ALA A 119 75.243 62.534 14.404 1.00 0.07 H HETATM 1555 H24 ALA A 119 76.999 64.499 15.766 1.00 0.19 H HETATM 1556 CB ALA A 119 78.682 65.246 13.094 1.00 -0.01 C HETATM 1557 CG ALA A 119 79.881 65.271 12.215 1.00 -0.03 C HETATM 1558 CD ALA A 119 80.422 63.877 12.204 1.00 0.04 C HETATM 1559 H22 ALA A 119 79.936 63.267 11.428 1.00 0.05 H HETATM 1560 H23 ALA A 119 81.510 63.874 12.045 1.00 0.05 H HETATM 1561 H20 ALA A 119 80.632 65.968 12.615 1.00 0.03 H HETATM 1562 H21 ALA A 119 79.601 65.579 11.197 1.00 0.03 H HETATM 1563 H18 ALA A 119 78.559 66.214 13.602 1.00 0.03 H HETATM 1564 H19 ALA A 119 77.780 65.024 12.505 1.00 0.03 H HETATM 1565 H17 ALA A 119 79.219 64.558 15.097 1.00 0.08 H HETATM 1566 CB ALA A 119 81.260 60.560 12.698 1.00 -0.01 C HETATM 1567 CG1 ALA A 119 82.349 59.924 11.840 1.00 -0.06 C HETATM 1568 H11 ALA A 119 81.910 59.127 11.222 1.00 0.02 H HETATM 1569 H12 ALA A 119 83.126 59.497 12.491 1.00 0.02 H HETATM 1570 H13 ALA A 119 82.796 60.689 11.188 1.00 0.02 H HETATM 1571 CG2 ALA A 119 80.540 59.505 13.544 1.00 -0.06 C HETATM 1572 H14 ALA A 119 79.762 59.991 14.151 1.00 0.02 H HETATM 1573 H15 ALA A 119 81.265 59.008 14.206 1.00 0.02 H HETATM 1574 H16 ALA A 119 80.076 58.758 12.883 1.00 0.02 H HETATM 1575 H10 ALA A 119 80.519 61.012 12.022 1.00 0.03 H HETATM 1576 H9 ALA A 119 82.393 62.394 12.940 1.00 0.08 H HETATM 1577 H8 ALA A 119 82.407 60.770 15.424 1.00 0.19 H HETATM 1578 CB ALA A 119 84.843 61.565 16.792 1.00 -0.00 C HETATM 1579 H5 ALA A 119 83.791 61.660 17.101 1.00 0.03 H HETATM 1580 H6 ALA A 119 85.243 62.559 16.544 1.00 0.03 H HETATM 1581 H7 ALA A 119 85.429 61.128 17.614 1.00 0.03 H HETATM 1582 H4 ALA A 119 84.546 59.664 15.831 1.00 0.11 H HETATM 1583 H1 ALA A 119 86.902 60.142 15.883 1.00 0.20 H HETATM 1584 H2 ALA A 119 86.714 61.415 14.856 1.00 0.20 H HETATM 1585 H3 ALA A 119 86.398 59.885 14.337 1.00 0.20 H CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 695 694 699 1401 CONECT 746 745 750 1401 CONECT 1011 1009 1010 1401 CONECT 1120 1119 1124 1401 CONECT 1401 695 746 1011 1120 CONECT 1519 1520 1583 1584 1585 CONECT 1520 1519 1521 1578 1582 CONECT 1521 1520 1522 1523 CONECT 1522 1521 CONECT 1523 1521 1524 1577 CONECT 1524 1523 1525 1566 1576 CONECT 1525 1524 1526 1527 CONECT 1526 1525 CONECT 1527 1525 1528 1558 CONECT 1528 1527 1529 1556 1565 CONECT 1529 1528 1530 1531 CONECT 1530 1529 CONECT 1531 1529 1532 1555 CONECT 1532 1531 1533 1536 1554 CONECT 1533 1532 1534 1535 CONECT 1534 1533 CONECT 1535 1533 CONECT 1536 1532 1537 1552 1553 CONECT 1537 1536 1538 1541 CONECT 1538 1537 1539 1551 CONECT 1539 1538 1540 1550 CONECT 1540 1539 1541 1545 CONECT 1541 1537 1540 1542 CONECT 1542 1541 1543 1549 CONECT 1543 1542 1544 1548 CONECT 1544 1543 1545 1547 CONECT 1545 1540 1544 1546 CONECT 1546 1545 CONECT 1547 1544 CONECT 1548 1543 CONECT 1549 1542 CONECT 1550 1539 CONECT 1551 1538 CONECT 1552 1536 CONECT 1553 1536 CONECT 1554 1532 CONECT 1555 1531 CONECT 1556 1528 1557 1563 1564 CONECT 1557 1556 1558 1561 1562 CONECT 1558 1527 1557 1559 1560 CONECT 1559 1558 CONECT 1560 1558 CONECT 1561 1557 CONECT 1562 1557 CONECT 1563 1556 CONECT 1564 1556 CONECT 1565 1528 CONECT 1566 1524 1567 1571 1575 CONECT 1567 1566 1568 1569 1570 CONECT 1568 1567 CONECT 1569 1567 CONECT 1570 1567 CONECT 1571 1566 1572 1573 1574 CONECT 1572 1571 CONECT 1573 1571 CONECT 1574 1571 CONECT 1575 1566 CONECT 1576 1524 CONECT 1577 1523 CONECT 1578 1520 1579 1580 1581 CONECT 1579 1578 CONECT 1580 1578 CONECT 1581 1578 CONECT 1582 1520 CONECT 1583 1519 CONECT 1584 1519 CONECT 1585 1519 MASTER 0 0 0 0 0 0 0 0 1584 1 76 7 END
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Protein Sequence Similarity
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PDBbind
140aa, >1OXN_1|Chains... *
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1a07
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PDBbind
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PDBbind
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RCSB PDB
PDBbind
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PDBbind
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4i67
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4imz
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4in9
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4inh
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4j44
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4j45
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4j46
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4j47
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4-mer
4j48
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4k63
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4k66
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4kom
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4kx8
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4lkd
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4lke
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4lkf
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4mbp
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4q4i
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4trw
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PDBbind
4-mer
4trz
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4-mer
4x0z
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4-mer
4x14
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PDBbind
4-mer
4z7n
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4z7o
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5ab1
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5ajc
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PDBbind
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5azf
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PDBbind
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5btv
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5e6o
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5efj
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5f2u
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5f90
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5izj
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5jop
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5jy0
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5tdb
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5vi6
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5wxp
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PDBbind
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5yzd
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5zmq
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5zms
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6cct
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6ccu
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4-mer
6cd8
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6cd9
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4-mer
6cdc
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6m8w
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PDBbind
4-mer
6m8y
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6m9f
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PDBbind
4-mer
6msy
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PDBbind
4-mer
6mu3
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PDBbind
4-mer
6pu3
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PDBbind
4-mer
6prg
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PDBbind
4-mer
6n3f
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PDBbind
4-mer
6jjn
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6jjm
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6hop
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Entry Information
PDB ID
2i3h
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
baculoviral iap repeat-containing protein 7
Ligand Name
4-mer
EC.Number
E.C.-.-.-.-
Resolution
1.62(Å)
Affinity (Kd/Ki/IC50)
Ki=0.04uM
Release Year
2006
Protein/NA Sequence
Check fasta file
Primary Reference
Chem.Biol.v1;pp.525-533
Ligand Properties
Formula
C
2
4
H
3
4
N
5
O
5
Molecular Weight
472.557
Exact Mass
472.256
No. of atoms
68
No. of bonds
70
Polar Surface Area
159.24
LOGP Value
0.11 (
Computed with XLOGP3
)
0.76 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 3
Canonical SMILES
C[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)C(C)C)[NH3+]
InChI String
InChI=1S/C24H33N5O5/c1-13(2)20(28-21(30)14(3)25)23(32)29-10-6-9-19(29)22(31)27-18(24(33)34)11-15-12-26-17-8-5-4-7-16(15)17/h4-5,7-8,12-14,18-20,26H,6,9-11,25H2,1-3H3,(H,27,31)(H,28,30)(H,33,34)/p+1/t14-,18-,19-,20-/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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