Browse entries in the PDBbind-CN Database
HEADER 6OIE_COMPLEX COMPND 6OIE_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 111 MET ASP PRO ILE PRO ILE CYS SER PHE CYS LEU GLY THR SEQRES 2 A 111 LYS GLU SER ASN ARG GLU LYS LYS PRO GLU GLU LEU LEU SEQRES 3 A 111 SER CYS ALA ASP CYS GLY SER SER GLY HIS PRO SER CYS SEQRES 4 A 111 LEU LYS PHE CYS PRO GLU LEU THR THR ASN VAL LYS ALA SEQRES 5 A 111 LEU ARG TRP GLN CYS ILE GLU CYS LYS THR CYS SER ALA SEQRES 6 A 111 CYS ARG VAL GLN GLY ARG ASN ALA ASP ASN MET LEU PHE SEQRES 7 A 111 CYS ASP SER CYS ASP ARG GLY PHE HIS MET GLU CYS CYS SEQRES 8 A 111 ASP PRO PRO LEU SER ARG MET PRO LYS GLY MET TRP ILE SEQRES 9 A 111 CYS GLN VAL CYS ARG PRO LYS HET ZN A 1 1 HET ZN A 2 1 HET ZN A 3 1 HET ZN A 4 1 HET ALA A 226 253 ATOM 1 N MET A 210 111.339 5.651 20.822 1.00 48.88 N ATOM 2 CA MET A 210 111.645 6.963 21.375 1.00 55.18 C ATOM 3 C MET A 210 112.682 6.816 22.488 1.00 55.83 C ATOM 4 O MET A 210 112.721 5.793 23.176 1.00 52.65 O ATOM 5 CB MET A 210 110.373 7.642 21.889 1.00 60.19 C ATOM 6 CG MET A 210 110.574 9.044 22.460 1.00 67.08 C ATOM 7 SD MET A 210 111.057 10.288 21.240 1.00 76.54 S ATOM 8 CE MET A 210 110.150 11.712 21.846 1.00 73.93 C ATOM 9 HN3 MET A 210 110.959 5.040 21.573 1.00 0.00 H ATOM 10 HN2 MET A 210 112.207 5.228 20.435 1.00 0.00 H ATOM 11 HN1 MET A 210 110.633 5.751 20.065 1.00 0.00 H ATOM 12 N ASP A 211 113.521 7.837 22.656 1.00 53.93 N ATOM 13 CA ASP A 211 114.640 7.745 23.578 1.00 53.95 C ATOM 14 C ASP A 211 114.158 7.745 25.031 1.00 43.47 C ATOM 15 O ASP A 211 113.107 8.309 25.346 1.00 39.50 O ATOM 16 CB ASP A 211 115.621 8.884 23.320 1.00 63.61 C ATOM 17 CG ASP A 211 115.808 9.152 21.838 1.00 69.60 C ATOM 18 OD1 ASP A 211 115.390 10.232 21.368 1.00 74.16 O ATOM 19 OD2 ASP A 211 116.338 8.262 21.141 1.00 70.58 O ATOM 20 H ASP A 211 113.372 8.715 22.118 1.00 0.00 H ATOM 21 N PRO A 212 114.904 7.102 25.931 1.00 38.17 N ATOM 22 CA PRO A 212 114.364 6.813 27.265 1.00 29.98 C ATOM 23 C PRO A 212 114.137 8.081 28.073 1.00 35.52 C ATOM 24 O PRO A 212 114.896 9.046 27.984 1.00 36.70 O ATOM 25 CB PRO A 212 115.451 5.942 27.913 1.00 26.81 C ATOM 26 CG PRO A 212 116.387 5.565 26.834 1.00 35.78 C ATOM 27 CD PRO A 212 116.302 6.653 25.810 1.00 40.22 C ATOM 28 N ILE A 213 113.079 8.054 28.866 1.00 26.69 N ATOM 29 CA ILE A 213 112.837 9.094 29.880 1.00 26.55 C ATOM 30 C ILE A 213 113.563 8.663 31.133 1.00 17.94 C ATOM 31 O ILE A 213 113.262 7.588 31.682 1.00 23.51 O ATOM 32 CB ILE A 213 111.330 9.255 30.135 1.00 28.13 C ATOM 33 CG1 ILE A 213 110.613 9.705 28.862 1.00 32.52 C ATOM 34 CG2 ILE A 213 111.068 10.225 31.290 1.00 25.53 C ATOM 35 CD1 ILE A 213 109.124 9.434 28.896 1.00 31.37 C ATOM 36 H ILE A 213 112.397 7.275 28.771 1.00 0.00 H ATOM 37 N PRO A 214 114.566 9.445 31.630 1.00 21.01 N ATOM 38 CA PRO A 214 115.429 8.959 32.722 1.00 20.80 C ATOM 39 C PRO A 214 114.789 8.968 34.099 1.00 23.42 C ATOM 40 O PRO A 214 115.488 9.085 35.114 1.00 24.61 O ATOM 41 CB PRO A 214 116.616 9.931 32.679 1.00 25.09 C ATOM 42 CG PRO A 214 116.035 11.192 32.165 1.00 20.20 C ATOM 43 CD PRO A 214 115.012 10.763 31.128 1.00 22.67 C ATOM 44 N ILE A 215 113.468 8.845 34.146 1.00 25.72 N ATOM 45 CA ILE A 215 112.695 8.935 35.376 1.00 24.47 C ATOM 46 C ILE A 215 111.799 7.716 35.424 1.00 20.07 C ATOM 47 O ILE A 215 111.261 7.303 34.393 1.00 18.76 O ATOM 48 CB ILE A 215 111.852 10.230 35.423 1.00 26.89 C ATOM 49 CG1 ILE A 215 112.756 11.462 35.413 1.00 25.10 C ATOM 50 CG2 ILE A 215 110.939 10.243 36.633 1.00 28.65 C ATOM 51 CD1 ILE A 215 113.506 11.672 36.685 1.00 24.13 C ATOM 52 H ILE A 215 112.958 8.675 33.256 1.00 0.00 H ATOM 53 N CYS A 216 111.642 7.135 36.609 1.00 25.17 N ATOM 54 CA CYS A 216 110.705 6.036 36.791 1.00 20.87 C ATOM 55 C CYS A 216 109.268 6.560 36.848 1.00 21.90 C ATOM 56 O CYS A 216 108.956 7.450 37.644 1.00 19.55 O ATOM 57 CB CYS A 216 111.050 5.269 38.068 1.00 24.17 C ATOM 58 SG CYS A 216 109.857 3.988 38.521 1.00 18.53 S ATOM 59 H CYS A 216 112.198 7.472 37.421 1.00 0.00 H ATOM 60 N SER A 217 108.390 5.996 36.007 1.00 19.39 N ATOM 61 CA SER A 217 106.982 6.398 35.991 1.00 18.91 C ATOM 62 C SER A 217 106.260 6.124 37.306 1.00 19.32 C ATOM 63 O SER A 217 105.207 6.718 37.556 1.00 19.32 O ATOM 64 CB SER A 217 106.232 5.675 34.873 1.00 22.12 C ATOM 65 OG SER A 217 106.549 6.214 33.609 1.00 18.84 O ATOM 66 HG SER A 217 106.049 5.725 32.908 1.00 0.00 H ATOM 67 H SER A 217 108.716 5.257 35.352 1.00 0.00 H ATOM 68 N PHE A 218 106.768 5.229 38.144 1.00 20.90 N ATOM 69 CA PHE A 218 106.039 4.881 39.356 1.00 17.32 C ATOM 70 C PHE A 218 106.487 5.665 40.586 1.00 26.88 C ATOM 71 O PHE A 218 105.634 6.121 41.356 1.00 26.98 O ATOM 72 CB PHE A 218 106.148 3.375 39.591 1.00 18.16 C ATOM 73 CG PHE A 218 105.626 2.577 38.433 1.00 24.91 C ATOM 74 CD1 PHE A 218 104.260 2.404 38.257 1.00 31.14 C ATOM 75 CD2 PHE A 218 106.492 2.065 37.479 1.00 19.97 C ATOM 76 CE1 PHE A 218 103.762 1.691 37.161 1.00 35.42 C ATOM 77 CE2 PHE A 218 106.007 1.361 36.374 1.00 28.29 C ATOM 78 CZ PHE A 218 104.631 1.173 36.218 1.00 26.27 C ATOM 79 H PHE A 218 107.682 4.778 37.936 1.00 0.00 H ATOM 80 N CYS A 219 107.791 5.869 40.786 1.00 18.86 N ATOM 81 CA CYS A 219 108.282 6.582 41.964 1.00 22.18 C ATOM 82 C CYS A 219 108.925 7.920 41.631 1.00 22.15 C ATOM 83 O CYS A 219 109.360 8.631 42.547 1.00 23.71 O ATOM 84 CB CYS A 219 109.284 5.713 42.728 1.00 27.04 C ATOM 85 SG CYS A 219 110.893 5.623 41.953 1.00 24.38 S ATOM 86 H CYS A 219 108.474 5.512 40.087 1.00 0.00 H ATOM 87 N LEU A 220 109.001 8.270 40.350 1.00 18.04 N ATOM 88 CA LEU A 220 109.584 9.507 39.839 1.00 18.69 C ATOM 89 C LEU A 220 111.067 9.649 40.155 1.00 18.09 C ATOM 90 O LEU A 220 111.631 10.725 39.948 1.00 21.42 O ATOM 91 CB LEU A 220 108.809 10.745 40.340 1.00 20.51 C ATOM 92 CG LEU A 220 107.367 10.805 39.792 1.00 24.82 C ATOM 93 CD1 LEU A 220 106.592 12.032 40.265 1.00 21.77 C ATOM 94 CD2 LEU A 220 107.352 10.725 38.260 1.00 19.58 C ATOM 95 H LEU A 220 108.611 7.605 39.652 1.00 0.00 H ATOM 96 N GLY A 221 111.726 8.599 40.655 1.00 17.68 N ATOM 97 CA GLY A 221 113.147 8.696 40.894 1.00 20.71 C ATOM 98 C GLY A 221 113.965 8.414 39.649 1.00 21.70 C ATOM 99 O GLY A 221 113.503 7.783 38.706 1.00 17.89 O ATOM 100 H GLY A 221 111.218 7.717 40.871 1.00 0.00 H ATOM 101 N THR A 222 115.212 8.892 39.648 1.00 22.98 N ATOM 102 CA THR A 222 116.151 8.563 38.580 1.00 20.83 C ATOM 103 C THR A 222 116.757 7.192 38.855 1.00 20.14 C ATOM 104 O THR A 222 116.398 6.501 39.812 1.00 22.43 O ATOM 105 CB THR A 222 117.273 9.593 38.473 1.00 25.41 C ATOM 106 OG1 THR A 222 118.003 9.588 39.695 1.00 25.87 O ATOM 107 CG2 THR A 222 116.752 10.988 38.199 1.00 25.10 C ATOM 108 HG1 THR A 222 117.396 9.823 40.441 1.00 0.00 H ATOM 109 H THR A 222 115.520 9.512 40.424 1.00 0.00 H ATOM 110 N LYS A 223 117.731 6.805 38.033 1.00 27.86 N ATOM 111 CA LYS A 223 118.512 5.607 38.309 1.00 21.68 C ATOM 112 C LYS A 223 119.332 5.736 39.582 1.00 23.01 C ATOM 113 O LYS A 223 119.905 4.740 40.037 1.00 29.82 O ATOM 114 CB LYS A 223 119.430 5.305 37.129 1.00 18.60 C ATOM 115 CG LYS A 223 120.632 6.237 37.004 1.00 28.48 C ATOM 116 CD LYS A 223 121.304 6.068 35.639 1.00 32.30 C ATOM 117 CE LYS A 223 122.556 6.911 35.498 1.00 36.16 C ATOM 118 NZ LYS A 223 123.490 6.304 34.484 1.00 43.63 N ATOM 119 HZ1 LYS A 223 123.759 5.348 34.791 1.00 0.00 H ATOM 120 HZ2 LYS A 223 123.012 6.252 33.562 1.00 0.00 H ATOM 121 HZ3 LYS A 223 124.342 6.895 34.401 1.00 0.00 H ATOM 122 H LYS A 223 117.937 7.366 37.182 1.00 0.00 H ATOM 123 N GLU A 224 119.403 6.927 40.165 1.00 20.51 N ATOM 124 CA GLU A 224 120.144 7.125 41.393 1.00 23.31 C ATOM 125 C GLU A 224 119.269 7.009 42.641 1.00 27.84 C ATOM 126 O GLU A 224 119.806 7.070 43.754 1.00 28.34 O ATOM 127 CB GLU A 224 120.839 8.493 41.381 1.00 28.26 C ATOM 128 CG GLU A 224 122.055 8.617 40.443 1.00 30.65 C ATOM 129 CD GLU A 224 122.988 7.409 40.496 1.00 39.81 C ATOM 130 OE1 GLU A 224 123.443 6.968 39.421 1.00 50.14 O ATOM 131 OE2 GLU A 224 123.270 6.895 41.600 1.00 38.74 O ATOM 132 H GLU A 224 118.915 7.736 39.730 1.00 0.00 H ATOM 133 N SER A 225 117.944 6.829 42.507 1.00 19.30 N ATOM 134 CA SER A 225 117.104 6.797 43.712 1.00 20.17 C ATOM 135 C SER A 225 115.786 6.062 43.411 1.00 23.85 C ATOM 136 O SER A 225 114.826 6.678 42.949 1.00 22.85 O ATOM 137 CB SER A 225 116.853 8.209 44.214 1.00 23.14 C ATOM 138 OG SER A 225 116.097 8.207 45.414 1.00 31.33 O ATOM 139 HG SER A 225 115.223 7.772 45.251 1.00 0.00 H ATOM 140 H SER A 225 117.520 6.714 41.565 1.00 0.00 H ATOM 141 N ASN A 226 115.759 4.758 43.723 1.00 24.42 N ATOM 142 CA ASN A 226 114.509 4.014 43.636 1.00 21.43 C ATOM 143 C ASN A 226 113.668 4.349 44.863 1.00 24.17 C ATOM 144 O ASN A 226 113.955 5.303 45.594 1.00 23.95 O ATOM 145 CB ASN A 226 114.772 2.521 43.482 1.00 25.46 C ATOM 146 CG ASN A 226 115.566 1.922 44.640 1.00 28.99 C ATOM 147 OD1 ASN A 226 115.660 2.502 45.722 1.00 29.19 O ATOM 148 ND2 ASN A 226 116.141 0.742 44.410 1.00 25.67 N ATOM 149 HD22 ASN A 226 116.037 0.285 43.481 1.00 0.00 H ATOM 150 HD21 ASN A 226 116.693 0.278 45.159 1.00 0.00 H ATOM 151 H ASN A 226 116.630 4.278 44.027 1.00 0.00 H ATOM 152 N ARG A 227 112.638 3.543 45.137 1.00 20.67 N ATOM 153 CA ARG A 227 111.764 3.839 46.272 1.00 25.73 C ATOM 154 C ARG A 227 112.481 3.739 47.606 1.00 33.47 C ATOM 155 O ARG A 227 112.029 4.341 48.585 1.00 39.93 O ATOM 156 CB ARG A 227 110.563 2.913 46.279 1.00 25.31 C ATOM 157 CG ARG A 227 109.361 3.526 45.625 1.00 33.70 C ATOM 158 CD ARG A 227 108.357 2.477 45.244 1.00 35.00 C ATOM 159 NE ARG A 227 107.378 3.029 44.324 1.00 38.39 N ATOM 160 CZ ARG A 227 106.536 2.295 43.613 1.00 45.79 C ATOM 161 NH1 ARG A 227 106.564 0.973 43.730 1.00 51.21 N ATOM 162 NH2 ARG A 227 105.673 2.877 42.788 1.00 43.51 N ATOM 163 HE ARG A 227 107.336 4.063 44.217 1.00 0.00 H ATOM 164 HH12 ARG A 227 105.907 0.388 43.176 1.00 0.00 H ATOM 165 HH11 ARG A 227 107.243 0.522 44.376 1.00 0.00 H ATOM 166 HH22 ARG A 227 105.013 2.297 42.231 1.00 0.00 H ATOM 167 HH21 ARG A 227 105.657 3.913 42.699 1.00 0.00 H ATOM 168 H ARG A 227 112.458 2.707 44.545 1.00 0.00 H ATOM 169 N GLU A 228 113.572 2.980 47.679 1.00 28.99 N ATOM 170 CA GLU A 228 114.356 2.911 48.898 1.00 36.50 C ATOM 171 C GLU A 228 115.466 3.943 48.917 1.00 35.00 C ATOM 172 O GLU A 228 116.326 3.890 49.803 1.00 29.43 O ATOM 173 CB GLU A 228 114.943 1.509 49.082 1.00 43.83 C ATOM 174 CG GLU A 228 114.122 0.607 49.988 1.00 56.75 C ATOM 175 CD GLU A 228 112.690 0.455 49.511 1.00 67.24 C ATOM 176 OE1 GLU A 228 112.488 0.289 48.288 1.00 69.01 O ATOM 177 OE2 GLU A 228 111.766 0.500 50.356 1.00 71.42 O ATOM 178 H GLU A 228 113.867 2.427 46.849 1.00 0.00 H ATOM 179 N LYS A 229 115.464 4.874 47.957 1.00 26.74 N ATOM 180 CA LYS A 229 116.476 5.924 47.845 1.00 30.40 C ATOM 181 C LYS A 229 117.853 5.347 47.531 1.00 26.46 C ATOM 182 O LYS A 229 118.878 5.894 47.950 1.00 24.62 O ATOM 183 CB LYS A 229 116.534 6.789 49.110 1.00 27.41 C ATOM 184 CG LYS A 229 115.170 7.235 49.623 1.00 30.75 C ATOM 185 CD LYS A 229 114.365 7.899 48.518 1.00 33.03 C ATOM 186 CE LYS A 229 112.914 8.147 48.933 1.00 37.06 C ATOM 187 NZ LYS A 229 112.831 9.142 50.040 1.00 42.94 N ATOM 188 HZ1 LYS A 229 113.356 8.786 50.864 1.00 0.00 H ATOM 189 HZ2 LYS A 229 113.245 10.043 49.726 1.00 0.00 H ATOM 190 HZ3 LYS A 229 111.834 9.289 50.299 1.00 0.00 H ATOM 191 H LYS A 229 114.701 4.850 47.251 1.00 0.00 H ATOM 192 N LYS A 230 117.873 4.233 46.799 1.00 27.86 N ATOM 193 CA LYS A 230 119.057 3.483 46.417 1.00 30.21 C ATOM 194 C LYS A 230 119.212 3.478 44.897 1.00 27.04 C ATOM 195 O LYS A 230 118.217 3.577 44.171 1.00 22.74 O ATOM 196 CB LYS A 230 118.967 2.042 46.940 1.00 36.02 C ATOM 197 CG LYS A 230 118.539 1.954 48.414 1.00 44.43 C ATOM 198 CD LYS A 230 119.297 0.878 49.186 1.00 50.65 C ATOM 199 CE LYS A 230 118.718 -0.519 48.943 1.00 59.30 C ATOM 200 NZ LYS A 230 117.696 -0.939 49.954 1.00 61.45 N ATOM 201 HZ1 LYS A 230 118.128 -0.945 50.900 1.00 0.00 H ATOM 202 HZ2 LYS A 230 116.900 -0.269 49.940 1.00 0.00 H ATOM 203 HZ3 LYS A 230 117.352 -1.893 49.722 1.00 0.00 H ATOM 204 H LYS A 230 116.956 3.867 46.471 1.00 0.00 H ATOM 205 N PRO A 231 120.443 3.386 44.386 1.00 27.42 N ATOM 206 CA PRO A 231 120.631 3.390 42.929 1.00 26.54 C ATOM 207 C PRO A 231 120.129 2.099 42.314 1.00 27.43 C ATOM 208 O PRO A 231 120.247 1.025 42.903 1.00 28.27 O ATOM 209 CB PRO A 231 122.149 3.534 42.762 1.00 30.11 C ATOM 210 CG PRO A 231 122.715 2.983 44.038 1.00 31.72 C ATOM 211 CD PRO A 231 121.729 3.360 45.108 1.00 29.82 C ATOM 212 N GLU A 232 119.567 2.219 41.117 1.00 25.76 N ATOM 213 CA GLU A 232 118.998 1.085 40.398 1.00 31.18 C ATOM 214 C GLU A 232 118.699 1.517 38.972 1.00 28.42 C ATOM 215 O GLU A 232 118.002 2.515 38.763 1.00 27.26 O ATOM 216 CB GLU A 232 117.725 0.576 41.082 1.00 28.22 C ATOM 217 CG GLU A 232 117.167 -0.705 40.480 1.00 28.66 C ATOM 218 CD GLU A 232 115.809 -1.090 41.059 1.00 24.84 C ATOM 219 OE1 GLU A 232 115.365 -0.445 42.031 1.00 23.29 O ATOM 220 OE2 GLU A 232 115.190 -2.046 40.538 1.00 27.14 O ATOM 221 H GLU A 232 119.531 3.159 40.674 1.00 0.00 H ATOM 222 N GLU A 233 119.229 0.790 37.991 1.00 25.46 N ATOM 223 CA GLU A 233 119.053 1.182 36.600 1.00 24.61 C ATOM 224 C GLU A 233 117.605 1.010 36.171 1.00 22.05 C ATOM 225 O GLU A 233 116.887 0.145 36.670 1.00 21.08 O ATOM 226 CB GLU A 233 119.965 0.368 35.679 1.00 28.86 C ATOM 227 CG GLU A 233 121.445 0.411 36.058 1.00 42.64 C ATOM 228 CD GLU A 233 122.142 1.678 35.584 1.00 50.29 C ATOM 229 OE1 GLU A 233 121.576 2.404 34.738 1.00 52.02 O ATOM 230 OE2 GLU A 233 123.258 1.954 36.073 1.00 58.41 O ATOM 231 H GLU A 233 119.774 -0.066 38.220 1.00 0.00 H ATOM 232 N LEU A 234 117.186 1.843 35.225 1.00 25.98 N ATOM 233 CA LEU A 234 115.826 1.812 34.714 1.00 23.40 C ATOM 234 C LEU A 234 115.701 0.848 33.542 1.00 27.28 C ATOM 235 O LEU A 234 116.655 0.618 32.791 1.00 25.60 O ATOM 236 CB LEU A 234 115.393 3.205 34.265 1.00 21.15 C ATOM 237 CG LEU A 234 115.408 4.294 35.345 1.00 24.31 C ATOM 238 CD1 LEU A 234 115.179 5.645 34.696 1.00 26.47 C ATOM 239 CD2 LEU A 234 114.357 4.022 36.422 1.00 24.67 C ATOM 240 H LEU A 234 117.853 2.540 34.837 1.00 0.00 H ATOM 241 N LEU A 235 114.509 0.277 33.404 1.00 20.67 N ATOM 242 CA LEU A 235 114.064 -0.332 32.161 1.00 22.24 C ATOM 243 C LEU A 235 113.237 0.697 31.410 1.00 22.41 C ATOM 244 O LEU A 235 112.462 1.435 32.019 1.00 21.18 O ATOM 245 CB LEU A 235 113.224 -1.580 32.419 1.00 24.39 C ATOM 246 CG LEU A 235 113.921 -2.668 33.220 1.00 39.87 C ATOM 247 CD1 LEU A 235 113.023 -3.886 33.335 1.00 43.92 C ATOM 248 CD2 LEU A 235 115.230 -3.024 32.540 1.00 43.22 C ATOM 249 H LEU A 235 113.866 0.265 34.221 1.00 0.00 H ATOM 250 N SER A 236 113.398 0.749 30.091 1.00 21.27 N ATOM 251 CA SER A 236 112.777 1.801 29.295 1.00 22.97 C ATOM 252 C SER A 236 112.054 1.206 28.100 1.00 25.94 C ATOM 253 O SER A 236 112.608 0.355 27.395 1.00 21.96 O ATOM 254 CB SER A 236 113.816 2.814 28.830 1.00 27.39 C ATOM 255 OG SER A 236 114.377 3.472 29.955 1.00 27.13 O ATOM 256 HG SER A 236 113.661 3.940 30.453 1.00 0.00 H ATOM 257 H SER A 236 113.977 0.026 29.619 1.00 0.00 H ATOM 258 N CYS A 237 110.824 1.669 27.880 1.00 21.70 N ATOM 259 CA CYS A 237 109.994 1.160 26.796 1.00 23.57 C ATOM 260 C CYS A 237 110.536 1.639 25.457 1.00 27.42 C ATOM 261 O CYS A 237 110.782 2.834 25.259 1.00 26.02 O ATOM 262 CB CYS A 237 108.545 1.616 26.979 1.00 25.59 C ATOM 263 SG CYS A 237 107.445 1.229 25.588 1.00 22.89 S ATOM 264 H CYS A 237 110.446 2.414 28.499 1.00 0.00 H ATOM 265 N ALA A 238 110.729 0.699 24.537 1.00 25.60 N ATOM 266 CA ALA A 238 111.272 1.056 23.240 1.00 24.39 C ATOM 267 C ALA A 238 110.292 1.870 22.412 1.00 26.90 C ATOM 268 O ALA A 238 110.718 2.555 21.483 1.00 25.51 O ATOM 269 CB ALA A 238 111.671 -0.206 22.474 1.00 23.51 C ATOM 270 H ALA A 238 110.491 -0.291 24.747 1.00 0.00 H ATOM 271 N ASP A 239 108.993 1.813 22.719 1.00 27.58 N ATOM 272 CA ASP A 239 108.010 2.515 21.903 1.00 25.36 C ATOM 273 C ASP A 239 107.704 3.916 22.426 1.00 30.68 C ATOM 274 O ASP A 239 107.696 4.869 21.650 1.00 30.34 O ATOM 275 CB ASP A 239 106.724 1.694 21.803 1.00 27.55 C ATOM 276 CG ASP A 239 106.883 0.496 20.900 1.00 31.09 C ATOM 277 OD1 ASP A 239 107.263 0.672 19.726 1.00 33.89 O ATOM 278 OD2 ASP A 239 106.653 -0.626 21.371 1.00 30.39 O ATOM 279 H ASP A 239 108.681 1.264 23.546 1.00 0.00 H ATOM 280 N CYS A 240 107.448 4.061 23.724 1.00 28.55 N ATOM 281 CA CYS A 240 107.043 5.341 24.282 1.00 31.00 C ATOM 282 C CYS A 240 108.105 5.987 25.160 1.00 29.55 C ATOM 283 O CYS A 240 107.937 7.145 25.552 1.00 24.86 O ATOM 284 CB CYS A 240 105.747 5.181 25.094 1.00 26.01 C ATOM 285 SG CYS A 240 105.964 4.461 26.743 1.00 22.51 S ATOM 286 H CYS A 240 107.540 3.239 24.354 1.00 0.00 H ATOM 287 N GLY A 241 109.180 5.281 25.489 1.00 28.97 N ATOM 288 CA GLY A 241 110.230 5.872 26.281 1.00 28.62 C ATOM 289 C GLY A 241 109.972 5.943 27.769 1.00 28.06 C ATOM 290 O GLY A 241 110.872 6.352 28.508 1.00 21.04 O ATOM 291 H GLY A 241 109.266 4.294 25.173 1.00 0.00 H ATOM 292 N SER A 242 108.786 5.559 28.236 1.00 25.71 N ATOM 293 CA SER A 242 108.546 5.494 29.670 1.00 20.10 C ATOM 294 C SER A 242 109.486 4.484 30.314 1.00 23.64 C ATOM 295 O SER A 242 109.830 3.459 29.719 1.00 20.80 O ATOM 296 CB SER A 242 107.093 5.102 29.960 1.00 26.41 C ATOM 297 OG SER A 242 106.197 6.121 29.574 1.00 26.62 O ATOM 298 HG SER A 242 105.270 5.837 29.774 1.00 0.00 H ATOM 299 H SER A 242 108.027 5.304 27.573 1.00 0.00 H ATOM 300 N SER A 243 109.891 4.776 31.549 1.00 22.24 N ATOM 301 CA SER A 243 110.852 3.951 32.269 1.00 18.93 C ATOM 302 C SER A 243 110.303 3.531 33.629 1.00 21.26 C ATOM 303 O SER A 243 109.336 4.100 34.145 1.00 22.54 O ATOM 304 CB SER A 243 112.187 4.681 32.471 1.00 18.37 C ATOM 305 OG SER A 243 112.769 4.998 31.225 1.00 21.50 O ATOM 306 HG SER A 243 112.931 4.164 30.716 1.00 0.00 H ATOM 307 H SER A 243 109.508 5.623 32.016 1.00 0.00 H ATOM 308 N GLY A 244 110.949 2.524 34.211 1.00 16.82 N ATOM 309 CA GLY A 244 110.612 2.105 35.554 1.00 15.39 C ATOM 310 C GLY A 244 111.754 1.355 36.191 1.00 15.78 C ATOM 311 O GLY A 244 112.483 0.648 35.495 1.00 20.77 O ATOM 312 H GLY A 244 111.706 2.032 33.694 1.00 0.00 H ATOM 313 N HIS A 245 111.952 1.522 37.493 1.00 17.90 N ATOM 314 CA HIS A 245 112.860 0.638 38.205 1.00 20.56 C ATOM 315 C HIS A 245 112.292 -0.779 38.192 1.00 20.36 C ATOM 316 O HIS A 245 111.087 -0.967 38.408 1.00 22.42 O ATOM 317 CB HIS A 245 113.048 1.089 39.655 1.00 22.12 C ATOM 318 CG HIS A 245 113.620 2.463 39.804 1.00 21.83 C ATOM 319 ND1 HIS A 245 112.866 3.544 40.206 1.00 19.54 N ATOM 320 CD2 HIS A 245 114.880 2.926 39.621 1.00 21.80 C ATOM 321 CE1 HIS A 245 113.636 4.616 40.267 1.00 21.86 C ATOM 322 NE2 HIS A 245 114.862 4.269 39.911 1.00 23.87 N ATOM 323 H HIS A 245 111.459 2.283 38.002 1.00 0.00 H ATOM 324 N PRO A 246 113.119 -1.792 37.933 1.00 24.64 N ATOM 325 CA PRO A 246 112.629 -3.172 38.072 1.00 25.98 C ATOM 326 C PRO A 246 111.945 -3.422 39.411 1.00 25.09 C ATOM 327 O PRO A 246 110.880 -4.055 39.438 1.00 20.50 O ATOM 328 CB PRO A 246 113.907 -4.005 37.894 1.00 28.92 C ATOM 329 CG PRO A 246 114.762 -3.173 36.999 1.00 25.34 C ATOM 330 CD PRO A 246 114.500 -1.741 37.414 1.00 25.81 C ATOM 331 N SER A 247 112.498 -2.897 40.519 1.00 21.56 N ATOM 332 CA SER A 247 111.847 -3.059 41.817 1.00 26.27 C ATOM 333 C SER A 247 110.448 -2.460 41.809 1.00 28.09 C ATOM 334 O SER A 247 109.527 -3.004 42.432 1.00 29.16 O ATOM 335 CB SER A 247 112.690 -2.417 42.930 1.00 28.52 C ATOM 336 OG SER A 247 112.976 -1.049 42.646 1.00 29.86 O ATOM 337 HG SER A 247 113.480 -0.988 41.796 1.00 0.00 H ATOM 338 H SER A 247 113.394 -2.373 40.451 1.00 0.00 H ATOM 339 N CYS A 248 110.272 -1.331 41.112 1.00 25.30 N ATOM 340 CA CYS A 248 108.955 -0.705 41.032 1.00 20.44 C ATOM 341 C CYS A 248 108.024 -1.493 40.121 1.00 28.27 C ATOM 342 O CYS A 248 106.821 -1.600 40.395 1.00 25.41 O ATOM 343 CB CYS A 248 109.085 0.732 40.535 1.00 22.90 C ATOM 344 SG CYS A 248 109.736 1.872 41.794 1.00 22.69 S ATOM 345 H CYS A 248 111.080 -0.896 40.623 1.00 0.00 H ATOM 346 N LEU A 249 108.560 -2.042 39.027 1.00 21.54 N ATOM 347 CA LEU A 249 107.780 -2.915 38.162 1.00 21.21 C ATOM 348 C LEU A 249 107.488 -4.266 38.789 1.00 19.17 C ATOM 349 O LEU A 249 106.693 -5.018 38.221 1.00 25.98 O ATOM 350 CB LEU A 249 108.502 -3.123 36.829 1.00 19.64 C ATOM 351 CG LEU A 249 108.557 -1.863 35.954 1.00 27.17 C ATOM 352 CD1 LEU A 249 109.742 -1.931 34.998 1.00 28.76 C ATOM 353 CD2 LEU A 249 107.251 -1.640 35.193 1.00 25.48 C ATOM 354 H LEU A 249 109.552 -1.842 38.789 1.00 0.00 H ATOM 355 N LYS A 250 108.119 -4.591 39.924 1.00 18.94 N ATOM 356 CA LYS A 250 107.982 -5.884 40.599 1.00 28.91 C ATOM 357 C LYS A 250 108.562 -7.038 39.776 1.00 32.07 C ATOM 358 O LYS A 250 108.092 -8.175 39.865 1.00 32.47 O ATOM 359 CB LYS A 250 106.521 -6.179 40.972 1.00 32.78 C ATOM 360 CG LYS A 250 105.768 -5.008 41.598 1.00 41.87 C ATOM 361 CD LYS A 250 106.533 -4.404 42.770 1.00 46.34 C ATOM 362 CE LYS A 250 105.638 -3.505 43.617 1.00 48.16 C ATOM 363 NZ LYS A 250 104.727 -4.279 44.519 1.00 51.20 N ATOM 364 HZ1 LYS A 250 104.112 -4.892 43.946 1.00 0.00 H ATOM 365 HZ2 LYS A 250 105.295 -4.863 45.165 1.00 0.00 H ATOM 366 HZ3 LYS A 250 104.143 -3.618 45.070 1.00 0.00 H ATOM 367 H LYS A 250 108.746 -3.881 40.354 1.00 0.00 H ATOM 368 N PHE A 251 109.589 -6.769 38.976 1.00 29.19 N ATOM 369 CA PHE A 251 110.239 -7.821 38.211 1.00 26.92 C ATOM 370 C PHE A 251 111.258 -8.540 39.081 1.00 31.87 C ATOM 371 O PHE A 251 111.962 -7.918 39.883 1.00 30.29 O ATOM 372 CB PHE A 251 110.929 -7.242 36.974 1.00 20.55 C ATOM 373 CG PHE A 251 109.980 -6.840 35.868 1.00 18.53 C ATOM 374 CD1 PHE A 251 108.605 -6.917 36.040 1.00 26.73 C ATOM 375 CD2 PHE A 251 110.472 -6.379 34.656 1.00 24.98 C ATOM 376 CE1 PHE A 251 107.734 -6.551 35.024 1.00 26.95 C ATOM 377 CE2 PHE A 251 109.613 -6.013 33.642 1.00 20.48 C ATOM 378 CZ PHE A 251 108.233 -6.101 33.830 1.00 23.16 C ATOM 379 H PHE A 251 109.933 -5.791 38.896 1.00 0.00 H ATOM 380 N CYS A 252 111.338 -9.853 38.926 1.00 36.62 N ATOM 381 CA CYS A 252 112.378 -10.588 39.625 1.00 32.60 C ATOM 382 C CYS A 252 113.719 -10.389 38.919 1.00 33.76 C ATOM 383 O CYS A 252 113.765 -10.004 37.747 1.00 29.85 O ATOM 384 CB CYS A 252 112.013 -12.071 39.709 1.00 40.26 C ATOM 385 SG CYS A 252 112.361 -13.037 38.215 1.00 41.81 S ATOM 386 H CYS A 252 110.664 -10.352 38.311 1.00 0.00 H ATOM 387 N PRO A 253 114.830 -10.640 39.618 1.00 39.26 N ATOM 388 CA PRO A 253 116.152 -10.393 39.016 1.00 38.84 C ATOM 389 C PRO A 253 116.390 -11.046 37.661 1.00 36.32 C ATOM 390 O PRO A 253 116.938 -10.383 36.777 1.00 37.29 O ATOM 391 CB PRO A 253 117.119 -10.945 40.078 1.00 41.94 C ATOM 392 CG PRO A 253 116.270 -11.821 40.959 1.00 43.68 C ATOM 393 CD PRO A 253 114.962 -11.118 41.002 1.00 43.81 C ATOM 394 N GLU A 254 116.029 -12.316 37.454 1.00 33.95 N ATOM 395 CA GLU A 254 116.414 -12.913 36.177 1.00 36.18 C ATOM 396 C GLU A 254 115.503 -12.466 35.043 1.00 25.21 C ATOM 397 O GLU A 254 115.963 -12.344 33.902 1.00 31.15 O ATOM 398 CB GLU A 254 116.458 -14.438 36.264 1.00 49.47 C ATOM 399 CG GLU A 254 115.275 -15.094 36.924 1.00 60.58 C ATOM 400 CD GLU A 254 115.599 -16.511 37.362 1.00 69.04 C ATOM 401 OE1 GLU A 254 116.072 -16.680 38.510 1.00 69.75 O ATOM 402 OE2 GLU A 254 115.400 -17.447 36.551 1.00 69.35 O ATOM 403 H GLU A 254 115.499 -12.854 38.169 1.00 0.00 H ATOM 404 N LEU A 255 114.222 -12.225 35.330 1.00 19.16 N ATOM 405 CA LEU A 255 113.361 -11.544 34.370 1.00 19.27 C ATOM 406 C LEU A 255 113.974 -10.210 33.971 1.00 21.06 C ATOM 407 O LEU A 255 114.043 -9.865 32.786 1.00 18.12 O ATOM 408 CB LEU A 255 111.970 -11.340 34.981 1.00 22.50 C ATOM 409 CG LEU A 255 110.984 -10.501 34.171 1.00 29.97 C ATOM 410 CD1 LEU A 255 110.876 -11.027 32.739 1.00 30.65 C ATOM 411 CD2 LEU A 255 109.614 -10.467 34.849 1.00 30.04 C ATOM 412 H LEU A 255 113.834 -12.526 36.247 1.00 0.00 H ATOM 413 N THR A 256 114.439 -9.452 34.964 1.00 24.08 N ATOM 414 CA THR A 256 115.043 -8.148 34.705 1.00 26.27 C ATOM 415 C THR A 256 116.245 -8.269 33.777 1.00 24.60 C ATOM 416 O THR A 256 116.336 -7.560 32.770 1.00 27.85 O ATOM 417 CB THR A 256 115.450 -7.496 36.028 1.00 27.02 C ATOM 418 OG1 THR A 256 114.275 -7.174 36.783 1.00 32.74 O ATOM 419 CG2 THR A 256 116.247 -6.230 35.769 1.00 28.58 C ATOM 420 HG1 THR A 256 113.764 -8.002 36.966 1.00 0.00 H ATOM 421 H THR A 256 114.370 -9.796 35.943 1.00 0.00 H ATOM 422 N THR A 257 117.183 -9.172 34.090 1.00 19.55 N ATOM 423 CA THR A 257 118.354 -9.276 33.218 1.00 25.78 C ATOM 424 C THR A 257 117.971 -9.788 31.835 1.00 29.83 C ATOM 425 O THR A 257 118.622 -9.432 30.847 1.00 27.39 O ATOM 426 CB THR A 257 119.442 -10.160 33.833 1.00 33.31 C ATOM 427 OG1 THR A 257 119.166 -11.536 33.558 1.00 41.27 O ATOM 428 CG2 THR A 257 119.535 -9.952 35.325 1.00 32.84 C ATOM 429 HG1 THR A 257 118.289 -11.780 33.947 1.00 0.00 H ATOM 430 H THR A 257 117.083 -9.781 34.927 1.00 0.00 H ATOM 431 N ASN A 258 116.902 -10.586 31.728 1.00 28.13 N ATOM 432 CA ASN A 258 116.445 -10.995 30.402 1.00 29.08 C ATOM 433 C ASN A 258 115.873 -9.810 29.643 1.00 28.23 C ATOM 434 O ASN A 258 116.211 -9.581 28.476 1.00 35.33 O ATOM 435 CB ASN A 258 115.402 -12.103 30.509 1.00 23.52 C ATOM 436 CG ASN A 258 116.005 -13.425 30.900 1.00 28.87 C ATOM 437 OD1 ASN A 258 117.202 -13.642 30.745 1.00 36.73 O ATOM 438 ND2 ASN A 258 115.175 -14.325 31.409 1.00 24.08 N ATOM 439 HD22 ASN A 258 114.167 -14.097 31.522 1.00 0.00 H ATOM 440 HD21 ASN A 258 115.532 -15.259 31.695 1.00 0.00 H ATOM 441 H ASN A 258 116.402 -10.912 32.580 1.00 0.00 H ATOM 442 N VAL A 259 115.011 -9.036 30.300 1.00 25.18 N ATOM 443 CA VAL A 259 114.352 -7.914 29.643 1.00 24.21 C ATOM 444 C VAL A 259 115.375 -6.865 29.219 1.00 32.36 C ATOM 445 O VAL A 259 115.190 -6.165 28.211 1.00 28.39 O ATOM 446 CB VAL A 259 113.269 -7.350 30.587 1.00 25.18 C ATOM 447 CG1 VAL A 259 112.999 -5.877 30.321 1.00 21.61 C ATOM 448 CG2 VAL A 259 111.994 -8.181 30.470 1.00 15.10 C ATOM 449 H VAL A 259 114.804 -9.236 31.300 1.00 0.00 H ATOM 450 N LYS A 260 116.489 -6.767 29.946 1.00 29.11 N ATOM 451 CA LYS A 260 117.471 -5.737 29.627 1.00 35.76 C ATOM 452 C LYS A 260 118.094 -5.963 28.260 1.00 36.76 C ATOM 453 O LYS A 260 118.475 -4.998 27.585 1.00 40.81 O ATOM 454 CB LYS A 260 118.552 -5.681 30.707 1.00 34.14 C ATOM 455 CG LYS A 260 118.258 -4.662 31.795 1.00 32.96 C ATOM 456 CD LYS A 260 119.050 -4.928 33.074 1.00 36.97 C ATOM 457 CE LYS A 260 118.790 -3.849 34.124 1.00 35.90 C ATOM 458 NZ LYS A 260 119.648 -4.023 35.327 1.00 32.90 N ATOM 459 HZ1 LYS A 260 119.455 -4.950 35.758 1.00 0.00 H ATOM 460 HZ2 LYS A 260 120.649 -3.971 35.048 1.00 0.00 H ATOM 461 HZ3 LYS A 260 119.438 -3.270 36.013 1.00 0.00 H ATOM 462 H LYS A 260 116.656 -7.422 30.736 1.00 0.00 H ATOM 463 N ALA A 261 118.181 -7.216 27.826 1.00 36.54 N ATOM 464 CA ALA A 261 118.830 -7.557 26.571 1.00 35.06 C ATOM 465 C ALA A 261 117.877 -7.555 25.388 1.00 36.01 C ATOM 466 O ALA A 261 118.314 -7.851 24.272 1.00 40.03 O ATOM 467 CB ALA A 261 119.499 -8.930 26.675 1.00 35.37 C ATOM 468 H ALA A 261 117.771 -7.978 28.403 1.00 0.00 H ATOM 469 N LEU A 262 116.606 -7.218 25.597 1.00 32.71 N ATOM 470 CA LEU A 262 115.574 -7.292 24.570 1.00 32.04 C ATOM 471 C LEU A 262 115.015 -5.906 24.259 1.00 25.05 C ATOM 472 O LEU A 262 115.273 -4.926 24.961 1.00 24.69 O ATOM 473 CB LEU A 262 114.426 -8.218 25.006 1.00 29.11 C ATOM 474 CG LEU A 262 114.720 -9.671 25.379 1.00 36.65 C ATOM 475 CD1 LEU A 262 113.553 -10.242 26.182 1.00 35.82 C ATOM 476 CD2 LEU A 262 114.987 -10.506 24.132 1.00 31.53 C ATOM 477 H LEU A 262 116.335 -6.884 26.544 1.00 0.00 H ATOM 478 N ARG A 263 114.215 -5.842 23.199 1.00 24.59 N ATOM 479 CA ARG A 263 113.443 -4.641 22.883 1.00 30.56 C ATOM 480 C ARG A 263 112.156 -4.697 23.698 1.00 28.93 C ATOM 481 O ARG A 263 111.201 -5.385 23.332 1.00 32.25 O ATOM 482 CB ARG A 263 113.155 -4.553 21.387 1.00 32.90 C ATOM 483 CG ARG A 263 112.554 -3.221 20.972 1.00 31.67 C ATOM 484 CD ARG A 263 111.928 -3.262 19.586 1.00 38.04 C ATOM 485 NE ARG A 263 111.475 -1.935 19.176 1.00 35.58 N ATOM 486 CZ ARG A 263 110.288 -1.416 19.484 1.00 31.76 C ATOM 487 NH1 ARG A 263 109.415 -2.114 20.204 1.00 24.61 N ATOM 488 NH2 ARG A 263 109.970 -0.196 19.064 1.00 32.01 N ATOM 489 HE ARG A 263 112.124 -1.356 18.605 1.00 0.00 H ATOM 490 HH12 ARG A 263 108.490 -1.703 20.441 1.00 0.00 H ATOM 491 HH11 ARG A 263 109.657 -3.071 20.530 1.00 0.00 H ATOM 492 HH22 ARG A 263 109.044 0.211 19.303 1.00 0.00 H ATOM 493 HH21 ARG A 263 110.648 0.351 18.496 1.00 0.00 H ATOM 494 H ARG A 263 114.136 -6.671 22.576 1.00 0.00 H ATOM 495 N TRP A 264 112.131 -3.983 24.815 1.00 20.66 N ATOM 496 CA TRP A 264 111.054 -4.117 25.788 1.00 20.57 C ATOM 497 C TRP A 264 109.975 -3.072 25.537 1.00 17.95 C ATOM 498 O TRP A 264 110.274 -1.941 25.151 1.00 22.52 O ATOM 499 CB TRP A 264 111.625 -3.964 27.198 1.00 22.19 C ATOM 500 CG TRP A 264 110.633 -4.138 28.297 1.00 18.22 C ATOM 501 CD1 TRP A 264 110.004 -5.295 28.675 1.00 17.10 C ATOM 502 CD2 TRP A 264 110.158 -3.114 29.173 1.00 17.88 C ATOM 503 NE1 TRP A 264 109.152 -5.042 29.731 1.00 16.19 N ATOM 504 CE2 TRP A 264 109.236 -3.712 30.057 1.00 15.42 C ATOM 505 CE3 TRP A 264 110.425 -1.745 29.298 1.00 20.37 C ATOM 506 CZ2 TRP A 264 108.579 -2.987 31.054 1.00 21.52 C ATOM 507 CZ3 TRP A 264 109.763 -1.024 30.284 1.00 23.16 C ATOM 508 CH2 TRP A 264 108.852 -1.647 31.148 1.00 22.61 C ATOM 509 HE1 TRP A 264 108.546 -5.744 30.202 1.00 0.00 H ATOM 510 H TRP A 264 112.901 -3.309 25.002 1.00 0.00 H ATOM 511 N GLN A 265 108.717 -3.457 25.747 1.00 23.91 N ATOM 512 CA GLN A 265 107.607 -2.510 25.775 1.00 21.42 C ATOM 513 C GLN A 265 106.971 -2.498 27.150 1.00 18.51 C ATOM 514 O GLN A 265 106.861 -3.539 27.805 1.00 19.74 O ATOM 515 CB GLN A 265 106.519 -2.812 24.712 1.00 23.35 C ATOM 516 CG GLN A 265 107.018 -3.351 23.374 1.00 16.44 C ATOM 517 CD GLN A 265 105.875 -3.784 22.458 1.00 16.04 C ATOM 518 OE1 GLN A 265 105.293 -4.861 22.611 1.00 23.82 O ATOM 519 NE2 GLN A 265 105.582 -2.959 21.478 1.00 13.74 N ATOM 520 HE22 GLN A 265 106.096 -2.060 21.384 1.00 0.00 H ATOM 521 HE21 GLN A 265 104.836 -3.205 20.797 1.00 0.00 H ATOM 522 H GLN A 265 108.519 -4.467 25.896 1.00 0.00 H ATOM 523 N CYS A 266 106.552 -1.310 27.578 1.00 17.37 N ATOM 524 CA CYS A 266 105.840 -1.184 28.837 1.00 18.42 C ATOM 525 C CYS A 266 104.467 -1.844 28.737 1.00 18.97 C ATOM 526 O CYS A 266 104.027 -2.281 27.670 1.00 19.74 O ATOM 527 CB CYS A 266 105.676 0.283 29.226 1.00 17.07 C ATOM 528 SG CYS A 266 104.584 1.218 28.116 1.00 18.84 S ATOM 529 H CYS A 266 106.737 -0.462 27.004 1.00 0.00 H ATOM 530 N ILE A 267 103.787 -1.888 29.883 1.00 19.93 N ATOM 531 CA ILE A 267 102.514 -2.593 29.997 1.00 25.39 C ATOM 532 C ILE A 267 101.496 -2.035 29.016 1.00 25.34 C ATOM 533 O ILE A 267 100.716 -2.787 28.417 1.00 27.81 O ATOM 534 CB ILE A 267 102.008 -2.513 31.449 1.00 32.93 C ATOM 535 CG1 ILE A 267 103.060 -3.116 32.399 1.00 38.09 C ATOM 536 CG2 ILE A 267 100.647 -3.196 31.578 1.00 31.43 C ATOM 537 CD1 ILE A 267 102.898 -2.744 33.886 1.00 38.75 C ATOM 538 H ILE A 267 104.175 -1.406 30.719 1.00 0.00 H ATOM 539 N GLU A 268 101.486 -0.712 28.828 1.00 19.20 N ATOM 540 CA GLU A 268 100.456 -0.104 27.991 1.00 26.10 C ATOM 541 C GLU A 268 100.779 -0.205 26.502 1.00 29.69 C ATOM 542 O GLU A 268 99.860 -0.238 25.679 1.00 33.04 O ATOM 543 CB GLU A 268 100.254 1.359 28.390 1.00 28.23 C ATOM 544 CG GLU A 268 100.120 1.595 29.898 1.00 41.65 C ATOM 545 CD GLU A 268 98.955 0.831 30.530 1.00 50.84 C ATOM 546 OE1 GLU A 268 97.961 0.550 29.823 1.00 48.21 O ATOM 547 OE2 GLU A 268 99.037 0.513 31.742 1.00 53.31 O ATOM 548 H GLU A 268 102.211 -0.117 29.277 1.00 0.00 H ATOM 549 N CYS A 269 102.065 -0.223 26.137 1.00 20.10 N ATOM 550 CA CYS A 269 102.467 -0.355 24.740 1.00 23.24 C ATOM 551 C CYS A 269 102.497 -1.798 24.251 1.00 25.33 C ATOM 552 O CYS A 269 102.479 -2.017 23.036 1.00 24.97 O ATOM 553 CB CYS A 269 103.862 0.240 24.531 1.00 23.39 C ATOM 554 SG CYS A 269 103.928 2.026 24.471 1.00 23.93 S ATOM 555 H CYS A 269 102.799 -0.141 26.869 1.00 0.00 H ATOM 556 N LYS A 270 102.565 -2.770 25.161 1.00 18.63 N ATOM 557 CA LYS A 270 102.832 -4.162 24.807 1.00 17.12 C ATOM 558 C LYS A 270 101.819 -4.704 23.801 1.00 27.55 C ATOM 559 O LYS A 270 100.607 -4.703 24.060 1.00 28.31 O ATOM 560 CB LYS A 270 102.818 -5.008 26.079 1.00 20.31 C ATOM 561 CG LYS A 270 103.181 -6.471 25.884 1.00 27.03 C ATOM 562 CD LYS A 270 104.619 -6.760 26.333 1.00 31.16 C ATOM 563 CE LYS A 270 104.875 -6.355 27.792 1.00 30.15 C ATOM 564 NZ LYS A 270 106.347 -6.345 28.099 1.00 18.98 N ATOM 565 HZ1 LYS A 270 106.739 -7.296 27.943 1.00 0.00 H ATOM 566 HZ2 LYS A 270 106.825 -5.665 27.475 1.00 0.00 H ATOM 567 HZ3 LYS A 270 106.491 -6.068 29.091 1.00 0.00 H ATOM 568 H LYS A 270 102.422 -2.528 26.162 1.00 0.00 H ATOM 569 N THR A 271 102.320 -5.171 22.654 1.00 19.58 N ATOM 570 CA THR A 271 101.519 -5.908 21.685 1.00 20.46 C ATOM 571 C THR A 271 101.927 -7.378 21.687 1.00 27.99 C ATOM 572 O THR A 271 103.056 -7.727 22.050 1.00 26.89 O ATOM 573 CB THR A 271 101.679 -5.335 20.275 1.00 21.98 C ATOM 574 OG1 THR A 271 103.050 -5.454 19.884 1.00 26.24 O ATOM 575 CG2 THR A 271 101.281 -3.844 20.247 1.00 23.28 C ATOM 576 HG1 THR A 271 103.312 -6.409 19.891 1.00 0.00 H ATOM 577 H THR A 271 103.324 -5.001 22.444 1.00 0.00 H ATOM 578 N CYS A 272 100.992 -8.241 21.278 1.00 21.15 N ATOM 579 CA CYS A 272 101.255 -9.677 21.250 1.00 16.35 C ATOM 580 C CYS A 272 102.426 -9.975 20.318 1.00 17.69 C ATOM 581 O CYS A 272 102.464 -9.493 19.184 1.00 21.58 O ATOM 582 CB CYS A 272 99.991 -10.423 20.806 1.00 15.80 C ATOM 583 SG CYS A 272 100.205 -12.178 20.458 1.00 16.73 S ATOM 584 H CYS A 272 100.063 -7.884 20.975 1.00 0.00 H ATOM 585 N SER A 273 103.405 -10.748 20.803 1.00 18.86 N ATOM 586 CA SER A 273 104.586 -11.032 19.981 1.00 17.13 C ATOM 587 C SER A 273 104.266 -11.902 18.780 1.00 16.17 C ATOM 588 O SER A 273 105.031 -11.899 17.808 1.00 24.34 O ATOM 589 CB SER A 273 105.681 -11.725 20.796 1.00 16.77 C ATOM 590 OG SER A 273 106.318 -10.814 21.673 1.00 30.15 O ATOM 591 HG SER A 273 106.729 -10.083 21.146 1.00 0.00 H ATOM 592 H SER A 273 103.328 -11.146 21.761 1.00 0.00 H ATOM 593 N ALA A 274 103.172 -12.660 18.823 1.00 17.64 N ATOM 594 CA ALA A 274 102.852 -13.508 17.678 1.00 14.93 C ATOM 595 C ALA A 274 102.080 -12.735 16.620 1.00 17.57 C ATOM 596 O ALA A 274 102.497 -12.662 15.459 1.00 22.33 O ATOM 597 CB ALA A 274 102.058 -14.743 18.124 1.00 14.50 C ATOM 598 H ALA A 274 102.555 -12.648 19.660 1.00 0.00 H ATOM 599 N CYS A 275 100.941 -12.150 16.987 1.00 15.61 N ATOM 600 CA CYS A 275 100.101 -11.511 15.978 1.00 18.52 C ATOM 601 C CYS A 275 100.292 -10.009 15.849 1.00 23.05 C ATOM 602 O CYS A 275 99.785 -9.422 14.875 1.00 19.14 O ATOM 603 CB CYS A 275 98.621 -11.828 16.268 1.00 23.09 C ATOM 604 SG CYS A 275 97.959 -10.830 17.642 1.00 16.30 S ATOM 605 H CYS A 275 100.652 -12.148 17.986 1.00 0.00 H ATOM 606 N ARG A 276 100.996 -9.394 16.792 1.00 16.63 N ATOM 607 CA ARG A 276 101.443 -7.998 16.743 1.00 22.35 C ATOM 608 C ARG A 276 100.319 -6.990 16.934 1.00 26.18 C ATOM 609 O ARG A 276 100.457 -5.833 16.517 1.00 24.42 O ATOM 610 CB ARG A 276 102.190 -7.619 15.450 1.00 22.41 C ATOM 611 CG ARG A 276 103.128 -8.656 14.866 1.00 38.65 C ATOM 612 CD ARG A 276 104.128 -9.179 15.873 1.00 46.39 C ATOM 613 NE ARG A 276 105.137 -8.204 16.280 1.00 49.86 N ATOM 614 CZ ARG A 276 106.188 -7.853 15.543 1.00 54.89 C ATOM 615 NH1 ARG A 276 106.366 -8.381 14.337 1.00 49.88 N ATOM 616 NH2 ARG A 276 107.061 -6.966 16.013 1.00 55.57 N ATOM 617 HE ARG A 276 105.026 -7.753 17.210 1.00 0.00 H ATOM 618 HH12 ARG A 276 107.189 -8.104 13.764 1.00 0.00 H ATOM 619 HH11 ARG A 276 105.683 -9.071 13.966 1.00 0.00 H ATOM 620 HH22 ARG A 276 107.883 -6.691 15.438 1.00 0.00 H ATOM 621 HH21 ARG A 276 106.922 -6.548 16.955 1.00 0.00 H ATOM 622 H ARG A 276 101.251 -9.948 17.635 1.00 0.00 H ATOM 623 N VAL A 277 99.198 -7.371 17.543 1.00 18.62 N ATOM 624 CA VAL A 277 98.140 -6.417 17.836 1.00 24.48 C ATOM 625 C VAL A 277 97.825 -6.454 19.338 1.00 25.73 C ATOM 626 O VAL A 277 98.266 -7.337 20.075 1.00 20.03 O ATOM 627 CB VAL A 277 96.871 -6.671 16.991 1.00 24.38 C ATOM 628 CG1 VAL A 277 97.237 -6.981 15.535 1.00 29.93 C ATOM 629 CG2 VAL A 277 96.082 -7.785 17.565 1.00 28.81 C ATOM 630 H VAL A 277 99.077 -8.368 17.814 1.00 0.00 H ATOM 631 N GLN A 278 97.071 -5.452 19.788 1.00 21.92 N ATOM 632 CA GLN A 278 96.499 -5.485 21.129 1.00 23.19 C ATOM 633 C GLN A 278 95.096 -6.087 21.096 1.00 21.15 C ATOM 634 O GLN A 278 94.844 -7.119 21.721 1.00 24.04 O ATOM 635 CB GLN A 278 96.491 -4.077 21.733 1.00 28.37 C ATOM 636 CG GLN A 278 97.848 -3.382 21.665 1.00 34.57 C ATOM 637 CD GLN A 278 97.927 -2.117 22.515 1.00 38.31 C ATOM 638 OE1 GLN A 278 98.754 -2.016 23.424 1.00 36.28 O ATOM 639 NE2 GLN A 278 97.081 -1.146 22.212 1.00 40.20 N ATOM 640 HE22 GLN A 278 96.399 -1.273 21.437 1.00 0.00 H ATOM 641 HE21 GLN A 278 97.098 -0.255 22.749 1.00 0.00 H ATOM 642 H GLN A 278 96.887 -4.633 19.173 1.00 0.00 H ATOM 643 N GLY A 279 94.184 -5.466 20.356 1.00 22.83 N ATOM 644 CA GLY A 279 92.830 -5.973 20.243 1.00 24.16 C ATOM 645 C GLY A 279 91.978 -5.594 21.441 1.00 25.98 C ATOM 646 O GLY A 279 92.447 -5.007 22.416 1.00 25.95 O ATOM 647 H GLY A 279 94.447 -4.598 19.847 1.00 0.00 H ATOM 648 N ARG A 280 90.695 -5.979 21.370 1.00 25.57 N ATOM 649 CA ARG A 280 89.724 -5.578 22.385 1.00 37.41 C ATOM 650 C ARG A 280 89.903 -6.311 23.711 1.00 35.27 C ATOM 651 O ARG A 280 89.456 -5.809 24.748 1.00 38.66 O ATOM 652 CB ARG A 280 88.301 -5.799 21.867 1.00 41.44 C ATOM 653 CG ARG A 280 87.342 -4.681 22.231 1.00 52.14 C ATOM 654 CD ARG A 280 86.055 -4.757 21.414 1.00 58.66 C ATOM 655 NE ARG A 280 85.435 -6.081 21.465 1.00 59.70 N ATOM 656 CZ ARG A 280 84.256 -6.371 20.921 1.00 57.00 C ATOM 657 NH1 ARG A 280 83.573 -5.428 20.285 1.00 56.98 N ATOM 658 NH2 ARG A 280 83.760 -7.600 21.011 1.00 52.79 N ATOM 659 HE ARG A 280 85.947 -6.842 21.956 1.00 0.00 H ATOM 660 HH12 ARG A 280 82.651 -5.652 19.859 1.00 0.00 H ATOM 661 HH11 ARG A 280 83.959 -4.465 20.213 1.00 0.00 H ATOM 662 HH22 ARG A 280 82.838 -7.821 20.584 1.00 0.00 H ATOM 663 HH21 ARG A 280 84.294 -8.341 21.509 1.00 0.00 H ATOM 664 H ARG A 280 90.385 -6.575 20.576 1.00 0.00 H ATOM 665 N ASN A 281 90.540 -7.477 23.710 1.00 30.53 N ATOM 666 CA ASN A 281 90.787 -8.230 24.933 1.00 35.61 C ATOM 667 C ASN A 281 92.247 -8.151 25.374 1.00 26.11 C ATOM 668 O ASN A 281 92.782 -9.104 25.946 1.00 30.55 O ATOM 669 CB ASN A 281 90.358 -9.687 24.755 1.00 38.82 C ATOM 670 CG ASN A 281 90.183 -10.415 26.086 1.00 40.81 C ATOM 671 OD1 ASN A 281 90.013 -9.791 27.131 1.00 35.06 O ATOM 672 ND2 ASN A 281 90.241 -11.743 26.046 1.00 46.58 N ATOM 673 HD22 ASN A 281 90.386 -12.230 25.139 1.00 0.00 H ATOM 674 HD21 ASN A 281 90.141 -12.294 26.922 1.00 0.00 H ATOM 675 H ASN A 281 90.874 -7.866 22.805 1.00 0.00 H ATOM 676 N ALA A 282 92.895 -7.007 25.149 1.00 29.24 N ATOM 677 CA ALA A 282 94.321 -6.883 25.450 1.00 34.86 C ATOM 678 C ALA A 282 94.626 -7.064 26.931 1.00 34.76 C ATOM 679 O ALA A 282 95.757 -7.424 27.277 1.00 33.92 O ATOM 680 CB ALA A 282 94.858 -5.526 24.983 1.00 36.38 C ATOM 681 H ALA A 282 92.380 -6.194 24.755 1.00 0.00 H ATOM 682 N ASP A 283 93.645 -6.838 27.808 1.00 34.74 N ATOM 683 CA ASP A 283 93.884 -6.942 29.244 1.00 35.48 C ATOM 684 C ASP A 283 94.151 -8.376 29.697 1.00 37.25 C ATOM 685 O ASP A 283 94.760 -8.572 30.754 1.00 41.45 O ATOM 686 CB ASP A 283 92.698 -6.358 30.006 1.00 40.50 C ATOM 687 CG ASP A 283 92.842 -4.864 30.247 1.00 49.92 C ATOM 688 OD1 ASP A 283 93.888 -4.292 29.860 1.00 42.75 O ATOM 689 OD2 ASP A 283 91.907 -4.263 30.829 1.00 54.68 O ATOM 690 H ASP A 283 92.697 -6.584 27.463 1.00 0.00 H ATOM 691 N ASN A 284 93.730 -9.377 28.922 1.00 34.82 N ATOM 692 CA ASN A 284 93.963 -10.779 29.243 1.00 36.13 C ATOM 693 C ASN A 284 95.131 -11.376 28.454 1.00 35.03 C ATOM 694 O ASN A 284 95.266 -12.603 28.373 1.00 28.22 O ATOM 695 CB ASN A 284 92.682 -11.577 29.017 1.00 37.19 C ATOM 696 CG ASN A 284 91.581 -11.163 29.971 1.00 50.19 C ATOM 697 OD1 ASN A 284 91.743 -11.235 31.191 1.00 54.78 O ATOM 698 ND2 ASN A 284 90.465 -10.703 29.425 1.00 50.49 N ATOM 699 HD22 ASN A 284 90.372 -10.660 28.390 1.00 0.00 H ATOM 700 HD21 ASN A 284 89.682 -10.385 30.031 1.00 0.00 H ATOM 701 H ASN A 284 93.212 -9.146 28.050 1.00 0.00 H ATOM 702 N MET A 285 95.974 -10.533 27.877 1.00 15.60 N ATOM 703 CA MET A 285 97.201 -11.000 27.255 1.00 20.84 C ATOM 704 C MET A 285 98.171 -11.463 28.337 1.00 22.47 C ATOM 705 O MET A 285 98.403 -10.746 29.313 1.00 26.08 O ATOM 706 CB MET A 285 97.803 -9.866 26.417 1.00 24.33 C ATOM 707 CG MET A 285 99.196 -10.122 25.844 1.00 25.83 C ATOM 708 SD MET A 285 99.809 -8.727 24.852 1.00 29.67 S ATOM 709 CE MET A 285 99.702 -7.392 26.005 1.00 42.60 C ATOM 710 H MET A 285 95.753 -9.517 27.869 1.00 0.00 H ATOM 711 N LEU A 286 98.713 -12.673 28.181 1.00 19.81 N ATOM 712 CA LEU A 286 99.669 -13.237 29.134 1.00 21.92 C ATOM 713 C LEU A 286 101.037 -12.576 28.974 1.00 22.04 C ATOM 714 O LEU A 286 101.478 -12.318 27.854 1.00 21.43 O ATOM 715 CB LEU A 286 99.830 -14.743 28.896 1.00 24.28 C ATOM 716 CG LEU A 286 98.828 -15.796 29.374 1.00 28.45 C ATOM 717 CD1 LEU A 286 97.429 -15.473 28.951 1.00 34.17 C ATOM 718 CD2 LEU A 286 99.241 -17.169 28.850 1.00 26.57 C ATOM 719 H LEU A 286 98.445 -13.237 27.349 1.00 0.00 H ATOM 720 N PHE A 287 101.737 -12.344 30.086 1.00 18.41 N ATOM 721 CA PHE A 287 103.118 -11.863 30.035 1.00 21.45 C ATOM 722 C PHE A 287 104.065 -12.982 30.459 1.00 26.53 C ATOM 723 O PHE A 287 103.877 -13.595 31.520 1.00 22.30 O ATOM 724 CB PHE A 287 103.332 -10.634 30.927 1.00 22.75 C ATOM 725 CG PHE A 287 102.609 -9.392 30.460 1.00 28.91 C ATOM 726 CD1 PHE A 287 102.150 -9.276 29.158 1.00 27.44 C ATOM 727 CD2 PHE A 287 102.395 -8.336 31.330 1.00 45.95 C ATOM 728 CE1 PHE A 287 101.486 -8.133 28.740 1.00 27.64 C ATOM 729 CE2 PHE A 287 101.737 -7.191 30.910 1.00 50.85 C ATOM 730 CZ PHE A 287 101.287 -7.093 29.609 1.00 39.02 C ATOM 731 H PHE A 287 101.291 -12.509 31.011 1.00 0.00 H ATOM 732 N CYS A 288 105.089 -13.230 29.640 1.00 19.89 N ATOM 733 CA CYS A 288 106.035 -14.317 29.893 1.00 22.28 C ATOM 734 C CYS A 288 106.811 -14.095 31.191 1.00 25.49 C ATOM 735 O CYS A 288 107.400 -13.034 31.408 1.00 27.33 O ATOM 736 CB CYS A 288 107.007 -14.449 28.719 1.00 16.44 C ATOM 737 SG CYS A 288 108.165 -15.826 28.887 1.00 20.84 S ATOM 738 H CYS A 288 105.218 -12.634 28.798 1.00 0.00 H ATOM 739 N ASP A 289 106.834 -15.114 32.051 1.00 23.46 N ATOM 740 CA ASP A 289 107.584 -14.959 33.287 1.00 26.36 C ATOM 741 C ASP A 289 109.083 -14.958 33.055 1.00 24.37 C ATOM 742 O ASP A 289 109.831 -14.573 33.960 1.00 18.51 O ATOM 743 CB ASP A 289 107.197 -16.049 34.270 1.00 22.08 C ATOM 744 CG ASP A 289 105.873 -15.762 34.933 1.00 30.57 C ATOM 745 OD1 ASP A 289 104.999 -16.656 34.964 1.00 30.29 O ATOM 746 OD2 ASP A 289 105.706 -14.621 35.404 1.00 32.25 O ATOM 747 H ASP A 289 106.328 -15.998 31.843 1.00 0.00 H ATOM 748 N SER A 290 109.535 -15.357 31.866 1.00 17.83 N ATOM 749 CA SER A 290 110.961 -15.322 31.577 1.00 17.91 C ATOM 750 C SER A 290 111.381 -14.035 30.862 1.00 19.54 C ATOM 751 O SER A 290 112.411 -13.448 31.209 1.00 26.07 O ATOM 752 CB SER A 290 111.345 -16.553 30.750 1.00 22.71 C ATOM 753 OG SER A 290 112.637 -16.407 30.189 1.00 40.52 O ATOM 754 HG SER A 290 112.859 -17.214 29.661 1.00 0.00 H ATOM 755 H SER A 290 108.867 -15.694 31.143 1.00 0.00 H ATOM 756 N CYS A 291 110.607 -13.566 29.876 1.00 21.00 N ATOM 757 CA CYS A 291 111.049 -12.463 29.025 1.00 19.43 C ATOM 758 C CYS A 291 110.096 -11.277 28.957 1.00 20.15 C ATOM 759 O CYS A 291 110.408 -10.303 28.266 1.00 20.83 O ATOM 760 CB CYS A 291 111.305 -12.963 27.594 1.00 21.94 C ATOM 761 SG CYS A 291 109.782 -13.323 26.685 1.00 20.86 S ATOM 762 H CYS A 291 109.674 -13.994 29.712 1.00 0.00 H ATOM 763 N ASP A 292 108.952 -11.330 29.636 1.00 15.97 N ATOM 764 CA ASP A 292 107.929 -10.287 29.649 1.00 18.80 C ATOM 765 C ASP A 292 107.262 -10.048 28.298 1.00 24.44 C ATOM 766 O ASP A 292 106.479 -9.098 28.166 1.00 18.73 O ATOM 767 CB ASP A 292 108.467 -8.946 30.173 1.00 16.18 C ATOM 768 CG ASP A 292 107.386 -8.130 30.855 1.00 23.87 C ATOM 769 OD1 ASP A 292 106.601 -8.730 31.627 1.00 20.09 O ATOM 770 OD2 ASP A 292 107.297 -6.909 30.607 1.00 20.84 O ATOM 771 H ASP A 292 108.772 -12.183 30.203 1.00 0.00 H ATOM 772 N ARG A 293 107.526 -10.865 27.284 1.00 15.41 N ATOM 773 CA ARG A 293 106.739 -10.726 26.064 1.00 17.69 C ATOM 774 C ARG A 293 105.277 -11.031 26.352 1.00 21.12 C ATOM 775 O ARG A 293 104.952 -11.858 27.210 1.00 15.31 O ATOM 776 CB ARG A 293 107.233 -11.665 24.964 1.00 17.48 C ATOM 777 CG ARG A 293 108.481 -11.201 24.223 1.00 13.15 C ATOM 778 CD ARG A 293 108.931 -12.283 23.281 1.00 13.90 C ATOM 779 NE ARG A 293 110.073 -11.884 22.465 1.00 21.53 N ATOM 780 CZ ARG A 293 111.333 -12.184 22.746 1.00 25.10 C ATOM 781 NH1 ARG A 293 111.621 -12.876 23.847 1.00 23.79 N ATOM 782 NH2 ARG A 293 112.307 -11.801 21.922 1.00 22.25 N ATOM 783 HE ARG A 293 109.886 -11.328 21.606 1.00 0.00 H ATOM 784 HH12 ARG A 293 112.609 -13.112 24.069 1.00 0.00 H ATOM 785 HH11 ARG A 293 110.858 -13.180 24.485 1.00 0.00 H ATOM 786 HH22 ARG A 293 113.296 -12.036 22.141 1.00 0.00 H ATOM 787 HH21 ARG A 293 112.078 -11.267 21.059 1.00 0.00 H ATOM 788 H ARG A 293 108.274 -11.584 27.358 1.00 0.00 H ATOM 789 N GLY A 294 104.394 -10.363 25.617 1.00 17.71 N ATOM 790 CA GLY A 294 102.962 -10.581 25.734 1.00 17.37 C ATOM 791 C GLY A 294 102.478 -11.532 24.654 1.00 22.51 C ATOM 792 O GLY A 294 102.948 -11.487 23.515 1.00 17.11 O ATOM 793 H GLY A 294 104.740 -9.659 24.934 1.00 0.00 H ATOM 794 N PHE A 295 101.520 -12.384 25.021 1.00 22.13 N ATOM 795 CA PHE A 295 100.877 -13.291 24.077 1.00 19.05 C ATOM 796 C PHE A 295 99.392 -13.355 24.400 1.00 23.03 C ATOM 797 O PHE A 295 99.024 -13.588 25.555 1.00 20.92 O ATOM 798 CB PHE A 295 101.491 -14.704 24.140 1.00 19.04 C ATOM 799 CG PHE A 295 102.793 -14.843 23.387 1.00 22.48 C ATOM 800 CD1 PHE A 295 104.003 -14.557 24.000 1.00 21.88 C ATOM 801 CD2 PHE A 295 102.807 -15.271 22.063 1.00 18.32 C ATOM 802 CE1 PHE A 295 105.208 -14.689 23.291 1.00 19.07 C ATOM 803 CE2 PHE A 295 104.002 -15.397 21.361 1.00 14.52 C ATOM 804 CZ PHE A 295 105.196 -15.108 21.979 1.00 21.06 C ATOM 805 H PHE A 295 101.220 -12.402 26.017 1.00 0.00 H ATOM 806 N HIS A 296 98.537 -13.128 23.397 1.00 14.78 N ATOM 807 CA HIS A 296 97.139 -13.506 23.562 1.00 22.12 C ATOM 808 C HIS A 296 97.046 -15.003 23.829 1.00 19.76 C ATOM 809 O HIS A 296 97.886 -15.785 23.380 1.00 19.80 O ATOM 810 CB HIS A 296 96.330 -13.186 22.309 1.00 23.58 C ATOM 811 CG HIS A 296 96.281 -11.737 21.949 1.00 19.52 C ATOM 812 ND1 HIS A 296 96.608 -11.284 20.689 1.00 24.01 N ATOM 813 CD2 HIS A 296 95.873 -10.651 22.646 1.00 20.42 C ATOM 814 CE1 HIS A 296 96.422 -9.977 20.632 1.00 26.07 C ATOM 815 NE2 HIS A 296 95.975 -9.568 21.806 1.00 21.16 N ATOM 816 H HIS A 296 98.865 -12.689 22.513 1.00 0.00 H ATOM 817 N MET A 297 96.004 -15.406 24.555 1.00 18.46 N ATOM 818 CA MET A 297 95.758 -16.835 24.758 1.00 17.78 C ATOM 819 C MET A 297 95.581 -17.576 23.439 1.00 20.16 C ATOM 820 O MET A 297 96.142 -18.664 23.242 1.00 17.59 O ATOM 821 CB MET A 297 94.525 -17.029 25.648 1.00 17.91 C ATOM 822 CG MET A 297 94.829 -16.803 27.094 1.00 24.92 C ATOM 823 SD MET A 297 93.374 -16.848 28.133 1.00 34.55 S ATOM 824 CE MET A 297 93.035 -18.591 28.193 1.00 30.41 C ATOM 825 H MET A 297 95.364 -14.704 24.978 1.00 0.00 H ATOM 826 N GLU A 298 94.800 -17.007 22.526 1.00 20.98 N ATOM 827 CA GLU A 298 94.546 -17.680 21.262 1.00 21.19 C ATOM 828 C GLU A 298 95.779 -17.730 20.355 1.00 22.91 C ATOM 829 O GLU A 298 95.743 -18.407 19.319 1.00 25.87 O ATOM 830 CB GLU A 298 93.366 -16.998 20.558 1.00 18.43 C ATOM 831 CG GLU A 298 93.652 -15.596 20.031 1.00 17.18 C ATOM 832 CD GLU A 298 93.475 -14.505 21.079 1.00 23.88 C ATOM 833 OE1 GLU A 298 93.371 -14.834 22.276 1.00 19.85 O ATOM 834 OE2 GLU A 298 93.450 -13.306 20.704 1.00 25.48 O ATOM 835 H GLU A 298 94.370 -16.079 22.716 1.00 0.00 H ATOM 836 N CYS A 299 96.871 -17.068 20.733 1.00 18.32 N ATOM 837 CA CYS A 299 98.103 -17.047 19.956 1.00 18.64 C ATOM 838 C CYS A 299 99.209 -17.882 20.575 1.00 20.47 C ATOM 839 O CYS A 299 100.320 -17.908 20.035 1.00 18.97 O ATOM 840 CB CYS A 299 98.605 -15.604 19.786 1.00 20.98 C ATOM 841 SG CYS A 299 97.495 -14.524 18.881 1.00 18.73 S ATOM 842 H CYS A 299 96.843 -16.539 21.628 1.00 0.00 H ATOM 843 N CYS A 300 98.950 -18.537 21.704 1.00 19.64 N ATOM 844 CA CYS A 300 99.951 -19.389 22.323 1.00 18.26 C ATOM 845 C CYS A 300 100.109 -20.673 21.507 1.00 21.57 C ATOM 846 O CYS A 300 99.407 -20.915 20.519 1.00 23.36 O ATOM 847 CB CYS A 300 99.572 -19.667 23.779 1.00 20.61 C ATOM 848 SG CYS A 300 99.723 -18.186 24.802 1.00 22.07 S ATOM 849 H CYS A 300 98.016 -18.437 22.150 1.00 0.00 H ATOM 850 N ASP A 301 101.053 -21.507 21.923 1.00 22.81 N ATOM 851 CA ASP A 301 101.460 -22.681 21.154 1.00 28.49 C ATOM 852 C ASP A 301 101.361 -23.896 22.067 1.00 27.80 C ATOM 853 O ASP A 301 102.322 -24.240 22.772 1.00 23.36 O ATOM 854 CB ASP A 301 102.871 -22.492 20.604 1.00 32.90 C ATOM 855 CG ASP A 301 103.274 -23.572 19.625 1.00 37.67 C ATOM 856 OD1 ASP A 301 102.397 -24.333 19.165 1.00 39.35 O ATOM 857 OD2 ASP A 301 104.484 -23.656 19.319 1.00 38.14 O ATOM 858 H ASP A 301 101.522 -21.318 22.832 1.00 0.00 H ATOM 859 N PRO A 302 100.212 -24.582 22.077 1.00 23.96 N ATOM 860 CA PRO A 302 99.005 -24.324 21.283 1.00 21.10 C ATOM 861 C PRO A 302 98.121 -23.234 21.890 1.00 23.74 C ATOM 862 O PRO A 302 98.376 -22.822 23.015 1.00 20.73 O ATOM 863 CB PRO A 302 98.284 -25.674 21.318 1.00 20.71 C ATOM 864 CG PRO A 302 98.625 -26.198 22.687 1.00 21.24 C ATOM 865 CD PRO A 302 100.054 -25.769 22.936 1.00 17.72 C ATOM 866 N PRO A 303 97.104 -22.774 21.160 1.00 22.56 N ATOM 867 CA PRO A 303 96.203 -21.764 21.728 1.00 19.57 C ATOM 868 C PRO A 303 95.559 -22.268 23.011 1.00 22.70 C ATOM 869 O PRO A 303 95.135 -23.418 23.106 1.00 26.26 O ATOM 870 CB PRO A 303 95.171 -21.544 20.619 1.00 20.43 C ATOM 871 CG PRO A 303 95.911 -21.878 19.361 1.00 23.11 C ATOM 872 CD PRO A 303 96.835 -23.016 19.729 1.00 22.86 C ATOM 873 N LEU A 304 95.505 -21.399 24.009 1.00 20.51 N ATOM 874 CA LEU A 304 94.957 -21.769 25.306 1.00 20.57 C ATOM 875 C LEU A 304 93.487 -21.397 25.396 1.00 24.42 C ATOM 876 O LEU A 304 93.079 -20.331 24.932 1.00 23.30 O ATOM 877 CB LEU A 304 95.717 -21.061 26.421 1.00 17.01 C ATOM 878 CG LEU A 304 97.183 -21.450 26.641 1.00 28.60 C ATOM 879 CD1 LEU A 304 97.793 -20.511 27.651 1.00 29.47 C ATOM 880 CD2 LEU A 304 97.279 -22.886 27.128 1.00 32.61 C ATOM 881 H LEU A 304 95.861 -20.433 23.863 1.00 0.00 H ATOM 882 N SER A 305 92.697 -22.265 26.030 1.00 26.20 N ATOM 883 CA SER A 305 91.326 -21.933 26.393 1.00 28.20 C ATOM 884 C SER A 305 91.152 -21.707 27.888 1.00 33.08 C ATOM 885 O SER A 305 90.059 -21.328 28.319 1.00 39.18 O ATOM 886 CB SER A 305 90.360 -23.026 25.923 1.00 32.82 C ATOM 887 OG SER A 305 90.580 -24.235 26.624 1.00 35.51 O ATOM 888 HG SER A 305 89.944 -24.922 26.302 1.00 0.00 H ATOM 889 H SER A 305 93.070 -23.205 26.272 1.00 0.00 H ATOM 890 N ARG A 306 92.196 -21.926 28.690 1.00 26.44 N ATOM 891 CA ARG A 306 92.156 -21.696 30.128 1.00 31.74 C ATOM 892 C ARG A 306 93.368 -20.877 30.540 1.00 28.97 C ATOM 893 O ARG A 306 94.474 -21.089 30.031 1.00 25.61 O ATOM 894 CB ARG A 306 92.128 -23.011 30.913 1.00 33.94 C ATOM 895 CG ARG A 306 90.896 -23.857 30.652 1.00 43.82 C ATOM 896 CD ARG A 306 91.095 -25.295 31.108 1.00 54.09 C ATOM 897 NE ARG A 306 90.392 -26.255 30.256 1.00 55.24 N ATOM 898 CZ ARG A 306 89.205 -26.778 30.543 1.00 58.19 C ATOM 899 NH1 ARG A 306 88.575 -26.428 31.660 1.00 59.76 N ATOM 900 NH2 ARG A 306 88.646 -27.652 29.713 1.00 59.64 N ATOM 901 HE ARG A 306 90.851 -26.546 29.369 1.00 0.00 H ATOM 902 HH12 ARG A 306 87.646 -26.838 31.883 1.00 0.00 H ATOM 903 HH11 ARG A 306 89.011 -25.744 32.311 1.00 0.00 H ATOM 904 HH22 ARG A 306 87.717 -28.061 29.938 1.00 0.00 H ATOM 905 HH21 ARG A 306 89.138 -27.927 28.839 1.00 0.00 H ATOM 906 H ARG A 306 93.080 -22.277 28.269 1.00 0.00 H ATOM 907 N MET A 307 93.148 -19.930 31.435 1.00 25.32 N ATOM 908 CA MET A 307 94.231 -19.108 31.964 1.00 31.85 C ATOM 909 C MET A 307 95.185 -19.960 32.795 1.00 34.30 C ATOM 910 O MET A 307 94.750 -20.558 33.786 1.00 33.06 O ATOM 911 CB MET A 307 93.650 -17.985 32.815 1.00 32.20 C ATOM 912 CG MET A 307 94.682 -17.023 33.361 1.00 37.62 C ATOM 913 SD MET A 307 95.572 -16.198 32.033 1.00 38.96 S ATOM 914 CE MET A 307 94.251 -15.237 31.282 1.00 41.84 C ATOM 915 H MET A 307 92.177 -19.766 31.771 1.00 0.00 H ATOM 916 N PRO A 308 96.475 -20.042 32.445 1.00 33.54 N ATOM 917 CA PRO A 308 97.416 -20.816 33.271 1.00 29.36 C ATOM 918 C PRO A 308 97.481 -20.280 34.692 1.00 28.38 C ATOM 919 O PRO A 308 97.540 -19.070 34.923 1.00 21.56 O ATOM 920 CB PRO A 308 98.765 -20.639 32.556 1.00 19.59 C ATOM 921 CG PRO A 308 98.448 -20.169 31.176 1.00 18.13 C ATOM 922 CD PRO A 308 97.119 -19.461 31.250 1.00 29.75 C ATOM 923 N LYS A 309 97.476 -21.197 35.651 1.00 32.42 N ATOM 924 CA LYS A 309 97.742 -20.845 37.037 1.00 41.31 C ATOM 925 C LYS A 309 99.249 -20.845 37.271 1.00 37.03 C ATOM 926 O LYS A 309 99.946 -21.800 36.911 1.00 32.49 O ATOM 927 CB LYS A 309 97.051 -21.819 37.991 1.00 45.06 C ATOM 928 CG LYS A 309 95.535 -21.712 37.983 1.00 57.29 C ATOM 929 CD LYS A 309 95.051 -20.509 38.782 1.00 61.03 C ATOM 930 CE LYS A 309 93.544 -20.564 39.036 1.00 66.03 C ATOM 931 NZ LYS A 309 93.137 -21.655 39.975 1.00 68.93 N ATOM 932 HZ1 LYS A 309 93.421 -22.574 39.580 1.00 0.00 H ATOM 933 HZ2 LYS A 309 93.603 -21.512 40.894 1.00 0.00 H ATOM 934 HZ3 LYS A 309 92.105 -21.634 40.102 1.00 0.00 H ATOM 935 H LYS A 309 97.278 -22.188 35.407 1.00 0.00 H ATOM 936 N GLY A 310 99.748 -19.775 37.856 1.00 24.44 N ATOM 937 CA GLY A 310 101.151 -19.725 38.178 1.00 28.02 C ATOM 938 C GLY A 310 102.026 -19.514 36.953 1.00 28.72 C ATOM 939 O GLY A 310 101.593 -19.034 35.901 1.00 28.52 O ATOM 940 H GLY A 310 99.131 -18.969 38.084 1.00 0.00 H ATOM 941 N MET A 311 103.291 -19.908 37.112 1.00 28.82 N ATOM 942 CA MET A 311 104.343 -19.569 36.163 1.00 21.05 C ATOM 943 C MET A 311 104.004 -20.036 34.752 1.00 23.24 C ATOM 944 O MET A 311 103.552 -21.169 34.547 1.00 20.80 O ATOM 945 CB MET A 311 105.657 -20.191 36.637 1.00 31.28 C ATOM 946 CG MET A 311 106.814 -20.056 35.671 1.00 39.20 C ATOM 947 SD MET A 311 108.309 -20.762 36.397 1.00 44.81 S ATOM 948 CE MET A 311 109.551 -19.574 35.886 1.00 44.59 C ATOM 949 H MET A 311 103.535 -20.479 37.946 1.00 0.00 H ATOM 950 N TRP A 312 104.215 -19.147 33.782 1.00 18.69 N ATOM 951 CA TRP A 312 104.012 -19.458 32.377 1.00 23.27 C ATOM 952 C TRP A 312 105.160 -18.872 31.563 1.00 21.00 C ATOM 953 O TRP A 312 105.574 -17.728 31.784 1.00 16.17 O ATOM 954 CB TRP A 312 102.669 -18.914 31.866 1.00 17.98 C ATOM 955 CG TRP A 312 102.499 -19.130 30.406 1.00 16.53 C ATOM 956 CD1 TRP A 312 102.096 -20.281 29.782 1.00 18.54 C ATOM 957 CD2 TRP A 312 102.759 -18.181 29.370 1.00 15.37 C ATOM 958 NE1 TRP A 312 102.093 -20.104 28.420 1.00 15.44 N ATOM 959 CE2 TRP A 312 102.490 -18.822 28.140 1.00 14.80 C ATOM 960 CE3 TRP A 312 103.191 -16.852 29.360 1.00 16.25 C ATOM 961 CZ2 TRP A 312 102.632 -18.173 26.919 1.00 20.16 C ATOM 962 CZ3 TRP A 312 103.329 -16.205 28.142 1.00 16.06 C ATOM 963 CH2 TRP A 312 103.055 -16.867 26.939 1.00 20.55 C ATOM 964 HE1 TRP A 312 101.832 -20.824 27.717 1.00 0.00 H ATOM 965 H TRP A 312 104.538 -18.193 34.041 1.00 0.00 H ATOM 966 N ILE A 313 105.656 -19.649 30.602 1.00 19.11 N ATOM 967 CA ILE A 313 106.819 -19.270 29.803 1.00 19.62 C ATOM 968 C ILE A 313 106.478 -19.402 28.317 1.00 18.71 C ATOM 969 O ILE A 313 105.962 -20.439 27.883 1.00 16.13 O ATOM 970 CB ILE A 313 108.046 -20.123 30.185 1.00 26.91 C ATOM 971 CG1 ILE A 313 108.507 -19.733 31.591 1.00 19.18 C ATOM 972 CG2 ILE A 313 109.180 -19.923 29.196 1.00 17.87 C ATOM 973 CD1 ILE A 313 109.515 -20.627 32.143 1.00 27.79 C ATOM 974 H ILE A 313 105.197 -20.563 30.413 1.00 0.00 H ATOM 975 N CYS A 314 106.773 -18.356 27.539 1.00 15.72 N ATOM 976 CA CYS A 314 106.301 -18.275 26.161 1.00 15.17 C ATOM 977 C CYS A 314 107.125 -19.163 25.224 1.00 20.68 C ATOM 978 O CYS A 314 108.191 -19.673 25.579 1.00 25.74 O ATOM 979 CB CYS A 314 106.357 -16.830 25.668 1.00 14.63 C ATOM 980 SG CYS A 314 108.022 -16.275 25.173 1.00 17.77 S ATOM 981 H CYS A 314 107.352 -17.583 27.925 1.00 0.00 H ATOM 982 N GLN A 315 106.628 -19.304 23.983 1.00 18.85 N ATOM 983 CA GLN A 315 107.261 -20.174 22.989 1.00 18.87 C ATOM 984 C GLN A 315 108.651 -19.693 22.593 1.00 21.60 C ATOM 985 O GLN A 315 109.503 -20.508 22.212 1.00 21.33 O ATOM 986 CB GLN A 315 106.383 -20.276 21.740 1.00 26.25 C ATOM 987 CG GLN A 315 106.855 -21.307 20.712 1.00 29.20 C ATOM 988 CD GLN A 315 107.261 -22.643 21.348 1.00 41.75 C ATOM 989 OE1 GLN A 315 106.413 -23.384 21.851 1.00 42.57 O ATOM 990 NE2 GLN A 315 108.561 -22.954 21.318 1.00 39.44 N ATOM 991 HE22 GLN A 315 109.242 -22.299 20.884 1.00 0.00 H ATOM 992 HE21 GLN A 315 108.891 -23.851 21.729 1.00 0.00 H ATOM 993 H GLN A 315 105.769 -18.780 23.721 1.00 0.00 H ATOM 994 N VAL A 316 108.890 -18.383 22.643 1.00 17.91 N ATOM 995 CA VAL A 316 110.197 -17.862 22.269 1.00 24.20 C ATOM 996 C VAL A 316 111.257 -18.362 23.236 1.00 22.96 C ATOM 997 O VAL A 316 112.363 -18.743 22.835 1.00 22.52 O ATOM 998 CB VAL A 316 110.167 -16.327 22.223 1.00 24.34 C ATOM 999 CG1 VAL A 316 111.536 -15.807 21.818 1.00 20.11 C ATOM 1000 CG2 VAL A 316 109.080 -15.864 21.263 1.00 20.32 C ATOM 1001 H VAL A 316 108.140 -17.731 22.950 1.00 0.00 H ATOM 1002 N CYS A 317 110.927 -18.399 24.521 1.00 22.42 N ATOM 1003 CA CYS A 317 111.874 -18.852 25.531 1.00 24.57 C ATOM 1004 C CYS A 317 112.010 -20.374 25.601 1.00 26.75 C ATOM 1005 O CYS A 317 112.999 -20.861 26.154 1.00 24.85 O ATOM 1006 CB CYS A 317 111.463 -18.301 26.903 1.00 24.66 C ATOM 1007 SG CYS A 317 111.530 -16.489 27.062 1.00 22.02 S ATOM 1008 H CYS A 317 109.975 -18.099 24.812 1.00 0.00 H ATOM 1009 N ARG A 318 111.054 -21.143 25.084 1.00 21.39 N ATOM 1010 CA ARG A 318 111.170 -22.591 25.206 1.00 26.07 C ATOM 1011 C ARG A 318 112.247 -23.128 24.256 1.00 32.90 C ATOM 1012 O ARG A 318 112.516 -22.530 23.208 1.00 29.07 O ATOM 1013 CB ARG A 318 109.833 -23.263 24.919 1.00 21.86 C ATOM 1014 CG ARG A 318 108.715 -22.872 25.897 1.00 19.19 C ATOM 1015 CD ARG A 318 107.409 -23.621 25.604 1.00 18.86 C ATOM 1016 NE ARG A 318 107.582 -25.069 25.704 1.00 22.60 N ATOM 1017 CZ ARG A 318 106.709 -25.968 25.254 1.00 24.05 C ATOM 1018 NH1 ARG A 318 106.963 -27.260 25.389 1.00 25.68 N ATOM 1019 NH2 ARG A 318 105.586 -25.581 24.666 1.00 24.67 N ATOM 1020 HE ARG A 318 108.448 -25.422 26.159 1.00 0.00 H ATOM 1021 HH12 ARG A 318 106.282 -27.963 25.038 1.00 0.00 H ATOM 1022 HH11 ARG A 318 107.844 -27.572 25.846 1.00 0.00 H ATOM 1023 HH22 ARG A 318 104.910 -26.291 24.318 1.00 0.00 H ATOM 1024 HH21 ARG A 318 105.381 -24.568 24.553 1.00 0.00 H ATOM 1025 H ARG A 318 110.237 -20.717 24.601 1.00 0.00 H ATOM 1026 N PRO A 319 112.893 -24.246 24.607 1.00 33.50 N ATOM 1027 CA PRO A 319 113.893 -24.834 23.702 1.00 41.88 C ATOM 1028 C PRO A 319 113.274 -25.362 22.413 1.00 43.79 C ATOM 1029 O PRO A 319 112.106 -25.759 22.367 1.00 45.08 O ATOM 1030 CB PRO A 319 114.506 -25.973 24.530 1.00 46.40 C ATOM 1031 CG PRO A 319 113.508 -26.268 25.590 1.00 45.37 C ATOM 1032 CD PRO A 319 112.850 -24.948 25.900 1.00 35.86 C ATOM 1033 N LYS A 320 114.087 -25.357 21.356 1.00 52.39 N ATOM 1034 CA LYS A 320 113.683 -25.809 20.022 1.00 64.63 C ATOM 1035 C LYS A 320 113.236 -27.265 20.023 1.00 71.80 C ATOM 1036 O LYS A 320 114.057 -28.175 20.157 1.00 79.40 O ATOM 1037 CB LYS A 320 114.837 -25.624 19.026 1.00 72.98 C ATOM 1038 CG LYS A 320 114.642 -26.336 17.687 1.00 78.29 C ATOM 1039 CD LYS A 320 115.969 -26.799 17.087 1.00 79.47 C ATOM 1040 CE LYS A 320 116.525 -28.019 17.811 1.00 78.32 C ATOM 1041 NZ LYS A 320 115.662 -29.223 17.648 1.00 76.50 N ATOM 1042 HZ1 LYS A 320 114.716 -29.025 18.033 1.00 0.00 H ATOM 1043 HZ2 LYS A 320 115.584 -29.458 16.638 1.00 0.00 H ATOM 1044 HZ3 LYS A 320 116.085 -30.023 18.159 1.00 0.00 H ATOM 1045 H LYS A 320 115.060 -25.014 21.485 1.00 0.00 H TER 1046 LYS A 320 HETATM 1047 ZN ZN A 1 98.069 -12.343 19.423 1.00 21.41 ZN HETATM 1048 ZN ZN A 2 105.483 2.217 26.336 1.00 23.91 ZN HETATM 1049 ZN ZN A 3 110.768 3.605 40.668 1.00 22.46 ZN HETATM 1050 ZN ZN A 4 109.402 -15.605 26.985 1.00 21.82 ZN HETATM 1051 O HOH 5 104.902 -23.161 23.608 1.00 31.55 O HETATM 1052 O HOH 6 111.638 -21.116 21.426 1.00 35.47 O HETATM 1053 O HOH 7 104.707 6.243 32.079 1.00 34.46 O HETATM 1054 O HOH 8 101.196 -22.166 34.869 1.00 27.99 O HETATM 1055 O HOH 9 105.167 0.365 41.844 1.00 40.80 O HETATM 1056 O HOH 10 112.091 0.900 43.821 1.00 35.59 O HETATM 1057 O HOH 11 94.540 -13.524 26.184 1.00 28.68 O HETATM 1058 O HOH 12 102.180 -0.327 21.185 1.00 33.38 O HETATM 1059 O HOH 13 118.288 -2.673 36.980 1.00 33.36 O HETATM 1060 O HOH 14 122.426 7.316 44.005 1.00 22.26 O HETATM 1061 O HOH 15 102.959 -15.363 33.177 1.00 22.71 O HETATM 1062 O HOH 16 114.939 -16.926 34.049 1.00 51.18 O HETATM 1063 O HOH 17 117.878 8.094 35.364 1.00 16.15 O HETATM 1064 O HOH 18 102.120 -4.076 15.532 1.00 35.11 O HETATM 1065 O HOH 19 119.730 -6.531 36.064 1.00 45.47 O HETATM 1066 O HOH 20 105.282 -22.377 29.532 1.00 18.42 O HETATM 1067 O HOH 21 105.124 -8.936 23.507 1.00 16.54 O HETATM 1068 O HOH 22 113.298 3.985 25.031 1.00 26.34 O HETATM 1069 O HOH 23 109.484 -26.189 22.415 1.00 42.66 O HETATM 1070 O HOH 24 108.376 -9.826 20.290 1.00 37.07 O HETATM 1071 O HOH 25 90.559 -19.660 32.052 1.00 34.30 O HETATM 1072 O HOH 26 118.659 2.149 31.886 1.00 32.10 O HETATM 1073 O HOH 27 93.790 -19.309 17.714 1.00 24.60 O HETATM 1074 O HOH 28 97.605 -10.079 13.429 1.00 20.56 O HETATM 1075 O HOH 29 117.712 -3.777 24.793 1.00 34.65 O HETATM 1076 O HOH 30 94.156 -2.897 27.558 1.00 48.04 O HETATM 1077 O HOH 31 105.071 -7.457 18.879 1.00 31.51 O HETATM 1078 O HOH 32 98.157 -17.693 38.550 1.00 35.47 O HETATM 1079 O HOH 33 104.079 8.723 36.116 1.00 37.69 O HETATM 1080 O HOH 34 93.814 -11.478 25.036 1.00 26.22 O HETATM 1081 O HOH 35 99.277 -20.829 17.777 1.00 24.36 O HETATM 1082 O HOH 36 121.452 -0.198 45.055 1.00 35.49 O HETATM 1083 O HOH 37 105.270 -5.080 30.975 1.00 38.09 O HETATM 1084 O HOH 38 100.037 -22.926 25.211 1.00 31.15 O HETATM 1085 O HOH 39 110.027 -8.284 26.422 1.00 21.76 O HETATM 1086 O HOH 40 94.459 -3.343 18.586 1.00 44.71 O HETATM 1087 O HOH 41 108.952 7.325 32.764 1.00 18.12 O HETATM 1088 O HOH 42 113.458 -1.596 25.601 1.00 29.45 O HETATM 1089 O HOH 43 100.527 1.066 34.030 1.00 43.14 O HETATM 1090 O HOH 44 84.381 -10.315 21.208 1.00 42.16 O HETATM 1091 O HOH 45 94.658 -25.775 21.678 1.00 28.29 O HETATM 1092 O HOH 46 102.974 5.945 42.246 1.00 37.95 O HETATM 1093 O HOH 47 115.275 -22.515 26.227 1.00 40.05 O HETATM 1094 O HOH 48 92.603 -11.497 22.692 1.00 23.73 O HETATM 1095 O HOH 49 108.144 -13.678 36.467 1.00 38.31 O HETATM 1096 O HOH 50 107.044 -6.893 23.494 1.00 16.36 O HETATM 1097 O HOH 51 102.715 -20.640 24.040 1.00 22.76 O HETATM 1098 O HOH 52 92.540 -8.906 22.295 1.00 23.91 O HETATM 1099 O HOH 53 116.112 10.846 41.513 1.00 25.49 O HETATM 1100 O HOH 54 120.300 10.795 38.520 1.00 37.12 O HETATM 1101 O HOH 55 121.615 5.433 48.605 1.00 33.72 O HETATM 1102 O HOH 56 109.487 -4.822 21.101 1.00 32.10 O HETATM 1103 O HOH 57 120.900 -1.434 38.660 1.00 28.47 O HETATM 1104 O HOH 58 97.376 -24.051 35.406 1.00 39.31 O HETATM 1105 O HOH 59 116.995 -1.170 46.412 1.00 43.88 O HETATM 1106 O HOH 60 119.057 3.708 34.008 1.00 22.81 O HETATM 1107 O HOH 61 114.788 -7.409 40.446 1.00 43.72 O HETATM 1108 O HOH 62 113.064 -7.944 21.512 1.00 32.85 O HETATM 1109 O HOH 63 91.809 -19.607 22.388 1.00 43.79 O HETATM 1110 O HOH 64 103.921 -18.336 23.287 1.00 18.37 O HETATM 1111 O HOH 65 117.308 3.934 29.942 1.00 29.84 O HETATM 1112 O HOH 66 103.967 -20.779 39.880 1.00 28.11 O HETATM 1113 O HOH 67 94.215 -24.270 27.636 1.00 26.64 O HETATM 1114 O HOH 68 96.299 -23.297 30.925 1.00 37.76 O HETATM 1115 O HOH 69 108.327 -6.531 25.848 1.00 22.33 O HETATM 1116 O HOH 70 115.444 -3.244 27.544 1.00 28.95 O HETATM 1117 O HOH 71 114.171 11.656 26.671 1.00 52.11 O HETATM 1118 O HOH 72 108.808 -11.252 38.048 1.00 32.16 O HETATM 1119 O HOH 73 110.075 -7.427 15.873 1.00 48.38 O HETATM 1120 O HOH 74 122.276 3.228 38.823 1.00 37.87 O HETATM 1121 O HOH 75 103.376 -16.036 37.491 1.00 30.50 O HETATM 1122 O HOH 76 118.483 -7.878 37.642 1.00 43.24 O HETATM 1123 O HOH 77 103.190 -18.700 20.812 1.00 26.03 O HETATM 1124 O HOH 78 97.133 -2.794 18.218 1.00 33.59 O HETATM 1125 O HOH 79 117.275 -4.050 39.447 1.00 28.81 O HETATM 1126 O HOH 80 90.225 -12.746 23.115 1.00 37.98 O HETATM 1127 O HOH 81 114.665 -19.874 28.605 1.00 43.96 O HETATM 1128 O HOH 82 115.864 -0.898 28.935 1.00 29.77 O HETATM 1129 O HOH 83 110.675 -11.439 19.138 1.00 49.93 O HETATM 1130 O HOH 84 111.086 -8.936 20.810 1.00 61.50 O HETATM 1131 O HOH 85 125.185 8.072 32.153 1.00 58.23 O HETATM 1132 O HOH 86 102.381 -25.795 16.051 1.00 53.29 O HETATM 1133 O HOH 87 100.235 -23.431 39.952 1.00 47.42 O HETATM 1134 O HOH 88 91.781 -14.798 26.779 1.00 40.34 O HETATM 1135 O HOH 89 105.010 -14.902 14.330 1.00 43.45 O HETATM 1136 O HOH 90 106.891 -6.138 19.512 1.00 41.82 O HETATM 1137 O HOH 91 92.828 -3.159 25.585 1.00 54.99 O HETATM 1138 O HOH 92 81.323 -6.822 17.624 1.00 41.39 O HETATM 1139 O HOH 93 118.428 8.343 29.232 1.00 39.47 O HETATM 1140 O HOH 94 99.609 -24.579 34.021 1.00 36.00 O HETATM 1141 O HOH 95 117.285 6.449 31.063 1.00 22.36 O HETATM 1142 O HOH 96 106.947 -12.039 39.067 1.00 50.31 O HETATM 1143 O HOH 97 117.552 -6.572 39.235 1.00 38.00 O HETATM 1144 O HOH 98 91.908 -20.361 19.371 1.00 37.55 O HETATM 1145 O HOH 99 101.684 -21.812 41.179 1.00 44.09 O HETATM 1146 O HOH 100 106.169 10.532 34.677 1.00 45.96 O HETATM 1147 O HOH 101 115.442 2.545 24.671 1.00 41.27 O HETATM 1148 O HOH 102 118.838 6.402 33.486 1.00 21.55 O HETATM 1149 O HOH 103 112.824 13.095 29.208 1.00 37.10 O HETATM 1150 O HOH 104 123.500 6.454 47.207 1.00 33.94 O HETATM 1151 O HOH 105 104.890 -18.024 18.779 1.00 37.06 O HETATM 1152 O HOH 106 94.931 -26.284 18.764 1.00 44.66 O HETATM 1153 O HOH 107 112.476 -20.893 34.955 1.00 46.98 O HETATM 1154 O HOH 108 93.942 -10.658 33.688 1.00 36.69 O HETATM 1155 O HOH 109 96.446 -2.922 25.905 1.00 42.50 O HETATM 1156 O HOH 110 89.032 -7.837 34.641 1.00 43.72 O HETATM 1157 O HOH 111 101.538 -9.834 37.641 1.00 37.40 O HETATM 1158 O HOH 112 102.908 2.597 42.350 1.00 38.75 O HETATM 1159 O HOH 113 98.353 4.629 37.073 1.00 37.58 O HETATM 1160 O HOH 114 100.912 -15.998 38.108 1.00 33.60 O HETATM 1161 N ALA A 115 99.500 -17.253 35.748 1.00 0.24 N HETATM 1162 CA ALA A 115 100.198 -16.419 34.778 1.00 0.06 C HETATM 1163 C ALA A 115 99.976 -14.922 35.024 1.00 0.23 C HETATM 1164 O ALA A 115 98.984 -14.525 35.601 1.00 -0.39 O HETATM 1165 N ALA A 115 100.923 -14.106 34.574 1.00 -0.26 N HETATM 1166 CA ALA A 115 100.823 -12.657 34.664 1.00 0.13 C HETATM 1167 C ALA A 115 100.123 -12.129 33.422 1.00 0.20 C HETATM 1168 O ALA A 115 100.357 -12.610 32.309 1.00 -0.39 O HETATM 1169 N ALA A 115 99.202 -11.203 33.620 1.00 -0.26 N HETATM 1170 CA ALA A 115 98.514 -10.603 32.492 1.00 0.16 C HETATM 1171 C ALA A 115 98.720 -9.102 32.550 1.00 0.21 C HETATM 1172 O ALA A 115 99.231 -8.562 33.539 1.00 -0.39 O HETATM 1173 N ALA A 115 98.257 -8.422 31.496 1.00 -0.26 N HETATM 1174 CA ALA A 115 98.328 -6.967 31.492 1.00 0.13 C HETATM 1175 C ALA A 115 97.614 -6.385 32.699 1.00 0.20 C HETATM 1176 O ALA A 115 98.042 -5.360 33.242 1.00 -0.39 O HETATM 1177 N ALA A 115 96.558 -7.051 33.159 1.00 -0.26 N HETATM 1178 CA ALA A 115 95.809 -6.589 34.319 1.00 0.13 C HETATM 1179 C ALA A 115 96.553 -6.873 35.621 1.00 0.20 C HETATM 1180 O ALA A 115 96.678 -5.985 36.471 1.00 -0.39 O HETATM 1181 N ALA A 115 97.063 -8.099 35.799 1.00 -0.26 N HETATM 1182 CA ALA A 115 97.767 -8.417 37.043 1.00 0.16 C HETATM 1183 C ALA A 115 99.018 -7.555 37.207 1.00 0.21 C HETATM 1184 O ALA A 115 99.324 -7.095 38.314 1.00 -0.39 O HETATM 1185 N ALA A 115 99.753 -7.325 36.115 1.00 -0.26 N HETATM 1186 CA ALA A 115 100.954 -6.495 36.186 1.00 0.13 C HETATM 1187 C ALA A 115 100.601 -5.057 36.549 1.00 0.20 C HETATM 1188 O ALA A 115 101.237 -4.448 37.417 1.00 -0.39 O HETATM 1189 N ALA A 115 99.581 -4.498 35.884 1.00 -0.26 N HETATM 1190 CA ALA A 115 99.160 -3.123 36.150 1.00 0.13 C HETATM 1191 C ALA A 115 98.787 -2.929 37.613 1.00 0.20 C HETATM 1192 O ALA A 115 99.130 -1.907 38.218 1.00 -0.39 O HETATM 1193 N ALA A 115 98.090 -3.899 38.206 1.00 -0.26 N HETATM 1194 CA ALA A 115 97.759 -3.785 39.622 1.00 0.13 C HETATM 1195 C ALA A 115 98.965 -4.076 40.507 1.00 0.20 C HETATM 1196 O ALA A 115 99.155 -3.414 41.531 1.00 -0.39 O HETATM 1197 N ALA A 115 99.794 -5.051 40.117 1.00 -0.26 N HETATM 1198 CA ALA A 115 100.967 -5.429 40.905 1.00 0.15 C HETATM 1199 C ALA A 115 101.875 -4.237 41.185 1.00 0.21 C HETATM 1200 O ALA A 115 102.480 -4.142 42.259 1.00 -0.39 O HETATM 1201 N ALA A 115 102.023 -3.343 40.209 1.00 -0.26 N HETATM 1202 CA ALA A 115 102.838 -2.148 40.376 1.00 0.16 C HETATM 1203 C ALA A 115 102.129 -1.044 41.140 1.00 0.21 C HETATM 1204 O ALA A 115 102.793 -0.136 41.647 1.00 -0.39 O HETATM 1205 N ALA A 115 100.807 -1.060 41.182 1.00 -0.27 N HETATM 1206 CA ALA A 115 100.076 0.112 41.602 1.00 0.12 C HETATM 1207 C ALA A 115 100.121 1.152 40.496 1.00 0.20 C HETATM 1208 O ALA A 115 100.657 0.938 39.410 1.00 -0.39 O HETATM 1209 N ALA A 115 99.558 2.314 40.796 1.00 -0.27 N HETATM 1210 CA ALA A 115 99.495 3.372 39.806 1.00 0.12 C HETATM 1211 C ALA A 115 100.823 4.018 39.454 1.00 0.20 C HETATM 1212 O ALA A 115 101.781 3.967 40.225 1.00 -0.39 O HETATM 1213 N ALA A 115 100.876 4.607 38.266 1.00 -0.26 N HETATM 1214 CA ALA A 115 101.905 5.520 37.922 1.00 0.13 C HETATM 1215 CB ALA A 115 101.808 5.925 36.458 1.00 -0.01 C HETATM 1216 CG ALA A 115 102.055 4.735 35.539 1.00 -0.05 C HETATM 1217 CD ALA A 115 101.607 5.087 34.120 1.00 -0.03 C HETATM 1218 CE ALA A 115 101.777 3.866 33.202 1.00 0.03 C HETATM 1219 NZ ALA A 115 103.160 3.830 32.797 1.00 -0.29 N HETATM 1220 CH ALA A 115 103.957 2.639 32.824 1.00 0.18 C HETATM 1221 OH ALA A 115 103.503 1.555 33.146 1.00 -0.40 O HETATM 1222 CX ALA A 115 105.408 2.762 32.387 1.00 -0.00 C HETATM 1223 CY ALA A 115 106.253 1.726 32.600 1.00 -0.06 C HETATM 1224 CH3 ALA A 115 107.694 1.856 32.167 1.00 -0.03 C HETATM 1225 H118 ALA A 115 108.236 0.931 32.413 1.00 0.05 H HETATM 1226 H119 ALA A 115 108.159 2.704 32.691 1.00 0.05 H HETATM 1227 H120 ALA A 115 107.737 2.028 31.081 1.00 0.05 H HETATM 1228 H117 ALA A 115 105.899 0.813 33.076 1.00 0.08 H HETATM 1229 H116 ALA A 115 105.763 3.673 31.908 1.00 0.05 H HETATM 1230 H115 ALA A 115 103.585 4.679 32.481 1.00 0.18 H HETATM 1231 H113 ALA A 115 101.128 3.964 32.319 1.00 0.05 H HETATM 1232 H114 ALA A 115 101.519 2.946 33.746 1.00 0.05 H HETATM 1233 H111 ALA A 115 102.219 5.918 33.739 1.00 0.03 H HETATM 1234 H112 ALA A 115 100.549 5.388 34.135 1.00 0.03 H HETATM 1235 H109 ALA A 115 101.483 3.868 35.900 1.00 0.03 H HETATM 1236 H110 ALA A 115 103.127 4.491 35.535 1.00 0.03 H HETATM 1237 H107 ALA A 115 102.559 6.701 36.250 1.00 0.03 H HETATM 1238 H108 ALA A 115 100.803 6.326 36.263 1.00 0.03 H HETATM 1239 C ALA A 115 101.750 6.730 38.831 1.00 0.20 C HETATM 1240 O ALA A 115 100.616 7.051 39.265 1.00 -0.39 O HETATM 1241 N ALA A 115 102.839 7.422 39.136 1.00 -0.26 N HETATM 1242 CA ALA A 115 102.732 8.644 39.929 1.00 0.13 C HETATM 1243 C ALA A 115 101.911 9.703 39.203 1.00 0.21 C HETATM 1244 O ALA A 115 102.101 9.937 38.013 1.00 -0.39 O HETATM 1245 N ALA A 115 100.978 10.343 39.916 1.00 -0.26 N HETATM 1246 CA ALA A 115 100.252 11.457 39.298 1.00 0.10 C HETATM 1247 C ALA A 115 101.078 12.746 39.304 1.00 0.06 C HETATM 1248 O ALA A 115 102.245 12.722 39.713 1.00 -0.57 O HETATM 1249 OXT ALA A 115 100.570 13.799 38.900 1.00 -0.57 O HETATM 1250 CB ALA A 115 99.008 11.590 40.175 1.00 -0.02 C HETATM 1251 CG ALA A 115 99.418 11.051 41.504 1.00 -0.03 C HETATM 1252 CD ALA A 115 100.468 10.005 41.256 1.00 0.04 C HETATM 1253 H131 ALA A 115 101.268 10.065 42.008 1.00 0.05 H HETATM 1254 H132 ALA A 115 100.029 8.996 41.267 1.00 0.05 H HETATM 1255 H129 ALA A 115 98.552 10.602 42.012 1.00 0.03 H HETATM 1256 H130 ALA A 115 99.830 11.858 42.127 1.00 0.03 H HETATM 1257 H127 ALA A 115 98.176 11.003 39.759 1.00 0.03 H HETATM 1258 H128 ALA A 115 98.706 12.644 40.261 1.00 0.03 H HETATM 1259 H126 ALA A 115 99.975 11.213 38.262 1.00 0.07 H HETATM 1260 CB ALA A 115 104.114 9.191 40.261 1.00 -0.02 C HETATM 1261 H123 ALA A 115 104.011 10.110 40.857 1.00 0.03 H HETATM 1262 H124 ALA A 115 104.652 9.418 39.329 1.00 0.03 H HETATM 1263 H125 ALA A 115 104.677 8.441 40.837 1.00 0.03 H HETATM 1264 H122 ALA A 115 102.221 8.398 40.871 1.00 0.08 H HETATM 1265 H121 ALA A 115 103.735 7.107 38.823 1.00 0.19 H HETATM 1266 H106 ALA A 115 102.885 5.052 38.096 1.00 0.08 H HETATM 1267 H105 ALA A 115 100.167 4.400 37.592 1.00 0.19 H HETATM 1268 H103 ALA A 115 98.828 4.157 40.191 1.00 0.08 H HETATM 1269 H104 ALA A 115 99.069 2.949 38.884 1.00 0.08 H HETATM 1270 H102 ALA A 115 99.175 2.462 41.708 1.00 0.19 H HETATM 1271 H100 ALA A 115 100.534 0.524 42.513 1.00 0.08 H HETATM 1272 H101 ALA A 115 99.031 -0.161 41.808 1.00 0.08 H HETATM 1273 H99 ALA A 115 100.311 -1.888 40.921 1.00 0.19 H HETATM 1274 CB ALA A 115 103.246 -1.593 39.014 1.00 0.09 C HETATM 1275 OG1 ALA A 115 102.111 -0.963 38.409 1.00 -0.39 O HETATM 1276 H95 ALA A 115 101.808 -0.256 38.966 1.00 0.21 H HETATM 1277 CG2 ALA A 115 103.748 -2.712 38.108 1.00 -0.03 C HETATM 1278 H96 ALA A 115 104.037 -2.293 37.133 1.00 0.03 H HETATM 1279 H97 ALA A 115 102.949 -3.455 37.966 1.00 0.03 H HETATM 1280 H98 ALA A 115 104.620 -3.196 38.572 1.00 0.03 H HETATM 1281 H94 ALA A 115 104.047 -0.852 39.150 1.00 0.06 H HETATM 1282 H93 ALA A 115 103.743 -2.430 40.934 1.00 0.08 H HETATM 1283 H92 ALA A 115 101.561 -3.497 39.336 1.00 0.19 H HETATM 1284 CB ALA A 115 101.739 -6.530 40.175 1.00 0.08 C HETATM 1285 OG ALA A 115 103.027 -6.708 40.726 1.00 -0.39 O HETATM 1286 H91 ALA A 115 103.516 -5.897 40.653 1.00 0.21 H HETATM 1287 H89 ALA A 115 101.838 -6.255 39.115 1.00 0.06 H HETATM 1288 H90 ALA A 115 101.181 -7.474 40.258 1.00 0.06 H HETATM 1289 H88 ALA A 115 100.620 -5.827 41.870 1.00 0.08 H HETATM 1290 H87 ALA A 115 99.606 -5.535 39.262 1.00 0.19 H HETATM 1291 CB ALA A 115 96.601 -4.721 39.971 1.00 -0.01 C HETATM 1292 CG ALA A 115 95.251 -4.016 40.030 1.00 -0.04 C HETATM 1293 CD ALA A 115 94.108 -4.951 39.669 1.00 -0.01 C HETATM 1294 CE ALA A 115 92.893 -4.172 39.181 1.00 -0.04 C HETATM 1295 NZ ALA A 115 93.265 -3.099 38.215 1.00 0.22 N HETATM 1296 H84 ALA A 115 92.434 -2.611 37.919 1.00 0.20 H HETATM 1297 H85 ALA A 115 93.716 -3.510 37.413 1.00 0.20 H HETATM 1298 H86 ALA A 115 93.896 -2.450 38.660 1.00 0.20 H HETATM 1299 H82 ALA A 115 92.395 -3.712 40.047 1.00 0.08 H HETATM 1300 H83 ALA A 115 92.200 -4.869 38.687 1.00 0.08 H HETATM 1301 H80 ALA A 115 93.827 -5.534 40.558 1.00 0.03 H HETATM 1302 H81 ALA A 115 94.440 -5.633 38.873 1.00 0.03 H HETATM 1303 H78 ALA A 115 95.258 -3.174 39.323 1.00 0.03 H HETATM 1304 H79 ALA A 115 95.092 -3.637 41.050 1.00 0.03 H HETATM 1305 H76 ALA A 115 96.802 -5.173 40.953 1.00 0.03 H HETATM 1306 H77 ALA A 115 96.549 -5.511 39.208 1.00 0.03 H HETATM 1307 H75 ALA A 115 97.437 -2.751 39.815 1.00 0.08 H HETATM 1308 H74 ALA A 115 97.796 -4.699 37.683 1.00 0.19 H HETATM 1309 CB ALA A 115 97.974 -2.767 35.254 1.00 -0.01 C HETATM 1310 CG ALA A 115 97.788 -1.303 34.990 1.00 -0.02 C HETATM 1311 CD ALA A 115 96.450 -1.066 34.325 1.00 0.06 C HETATM 1312 NE ALA A 115 96.514 -1.202 32.873 1.00 -0.27 N HETATM 1313 CZ ALA A 115 95.762 -2.043 32.167 1.00 0.29 C HETATM 1314 NH1 ALA A 115 94.894 -2.835 32.783 1.00 -0.28 N HETATM 1315 H70 ALA A 115 94.312 -3.486 32.236 1.00 0.26 H HETATM 1316 H71 ALA A 115 94.802 -2.799 33.808 1.00 0.26 H HETATM 1317 NH2 ALA A 115 95.876 -2.094 30.843 1.00 -0.28 N HETATM 1318 H72 ALA A 115 96.548 -1.481 30.360 1.00 0.26 H HETATM 1319 H73 ALA A 115 95.292 -2.746 30.300 1.00 0.26 H HETATM 1320 H69 ALA A 115 97.184 -0.609 32.362 1.00 0.26 H HETATM 1321 H67 ALA A 115 96.110 -0.049 34.569 1.00 0.07 H HETATM 1322 H68 ALA A 115 95.728 -1.798 34.716 1.00 0.07 H HETATM 1323 H65 ALA A 115 98.592 -0.946 34.329 1.00 0.03 H HETATM 1324 H66 ALA A 115 97.825 -0.753 35.942 1.00 0.03 H HETATM 1325 H63 ALA A 115 97.059 -3.145 35.735 1.00 0.03 H HETATM 1326 H64 ALA A 115 98.115 -3.272 34.287 1.00 0.03 H HETATM 1327 H62 ALA A 115 99.997 -2.450 35.913 1.00 0.08 H HETATM 1328 H61 ALA A 115 99.097 -5.032 35.191 1.00 0.19 H HETATM 1329 CB ALA A 115 101.713 -6.550 34.863 1.00 -0.02 C HETATM 1330 H58 ALA A 115 102.613 -5.922 34.931 1.00 0.03 H HETATM 1331 H59 ALA A 115 101.067 -6.179 34.054 1.00 0.03 H HETATM 1332 H60 ALA A 115 102.006 -7.589 34.651 1.00 0.03 H HETATM 1333 H57 ALA A 115 101.606 -6.898 36.975 1.00 0.08 H HETATM 1334 H56 ALA A 115 99.479 -7.725 35.240 1.00 0.19 H HETATM 1335 CB ALA A 115 98.135 -9.908 37.105 1.00 0.09 C HETATM 1336 OG1 ALA A 115 99.212 -10.205 36.202 1.00 -0.39 O HETATM 1337 H52 ALA A 115 99.974 -9.691 36.440 1.00 0.21 H HETATM 1338 CG2 ALA A 115 96.936 -10.778 36.745 1.00 -0.03 C HETATM 1339 H53 ALA A 115 97.224 -11.838 36.796 1.00 0.03 H HETATM 1340 H54 ALA A 115 96.602 -10.538 35.725 1.00 0.03 H HETATM 1341 H55 ALA A 115 96.117 -10.586 37.454 1.00 0.03 H HETATM 1342 H51 ALA A 115 98.453 -10.147 38.130 1.00 0.06 H HETATM 1343 H50 ALA A 115 97.089 -8.197 37.881 1.00 0.08 H HETATM 1344 H49 ALA A 115 96.963 -8.793 35.086 1.00 0.19 H HETATM 1345 CB ALA A 115 94.414 -7.215 34.298 1.00 0.00 C HETATM 1346 CG ALA A 115 93.501 -6.840 35.437 1.00 0.04 C HETATM 1347 CD ALA A 115 92.056 -7.064 35.050 1.00 0.17 C HETATM 1348 OE1 ALA A 115 91.536 -6.374 34.171 1.00 -0.40 O HETATM 1349 NE2 ALA A 115 91.400 -8.026 35.689 1.00 -0.30 N HETATM 1350 H47 ALA A 115 90.443 -8.211 35.467 1.00 0.18 H HETATM 1351 H48 ALA A 115 91.864 -8.565 36.392 1.00 0.18 H HETATM 1352 H45 ALA A 115 93.649 -5.779 35.686 1.00 0.05 H HETATM 1353 H46 ALA A 115 93.742 -7.460 36.313 1.00 0.05 H HETATM 1354 H43 ALA A 115 94.536 -8.308 34.311 1.00 0.03 H HETATM 1355 H44 ALA A 115 93.924 -6.912 33.361 1.00 0.03 H HETATM 1356 H42 ALA A 115 95.692 -5.498 34.237 1.00 0.08 H HETATM 1357 H41 ALA A 115 96.272 -7.890 32.696 1.00 0.19 H HETATM 1358 CB ALA A 115 97.724 -6.413 30.192 1.00 -0.01 C HETATM 1359 CG ALA A 115 97.777 -4.886 30.086 1.00 -0.04 C HETATM 1360 CD ALA A 115 97.362 -4.374 28.705 1.00 -0.01 C HETATM 1361 CE ALA A 115 98.340 -4.822 27.635 1.00 -0.04 C HETATM 1362 NZ ALA A 115 98.720 -3.761 26.649 1.00 0.22 N HETATM 1363 H38 ALA A 115 99.369 -4.142 25.978 1.00 0.20 H HETATM 1364 H39 ALA A 115 99.153 -2.991 27.134 1.00 0.20 H HETATM 1365 H40 ALA A 115 97.895 -3.436 26.171 1.00 0.20 H HETATM 1366 H36 ALA A 115 97.884 -5.656 27.082 1.00 0.08 H HETATM 1367 H37 ALA A 115 99.257 -5.170 28.133 1.00 0.08 H HETATM 1368 H34 ALA A 115 97.331 -3.275 28.725 1.00 0.03 H HETATM 1369 H35 ALA A 115 96.362 -4.765 28.463 1.00 0.03 H HETATM 1370 H32 ALA A 115 98.806 -4.555 30.289 1.00 0.03 H HETATM 1371 H33 ALA A 115 97.099 -4.457 30.838 1.00 0.03 H HETATM 1372 H30 ALA A 115 96.671 -6.728 30.137 1.00 0.03 H HETATM 1373 H31 ALA A 115 98.279 -6.839 29.343 1.00 0.03 H HETATM 1374 H29 ALA A 115 99.386 -6.670 31.540 1.00 0.08 H HETATM 1375 H28 ALA A 115 97.865 -8.909 30.716 1.00 0.19 H HETATM 1376 CB ALA A 115 97.018 -10.929 32.492 1.00 0.09 C HETATM 1377 OG1 ALA A 115 96.411 -10.371 33.664 1.00 -0.39 O HETATM 1378 H24 ALA A 115 95.483 -10.573 33.665 1.00 0.21 H HETATM 1379 CG2 ALA A 115 96.813 -12.443 32.472 1.00 -0.03 C HETATM 1380 H25 ALA A 115 95.736 -12.667 32.472 1.00 0.03 H HETATM 1381 H26 ALA A 115 97.280 -12.888 33.363 1.00 0.03 H HETATM 1382 H27 ALA A 115 97.275 -12.864 31.567 1.00 0.03 H HETATM 1383 H23 ALA A 115 96.551 -10.490 31.598 1.00 0.06 H HETATM 1384 H22 ALA A 115 98.954 -10.992 31.562 1.00 0.08 H HETATM 1385 H21 ALA A 115 98.978 -10.914 34.551 1.00 0.19 H HETATM 1386 CB ALA A 115 102.207 -12.019 34.785 1.00 -0.01 C HETATM 1387 CG ALA A 115 102.972 -12.426 36.054 1.00 -0.02 C HETATM 1388 CD ALA A 115 104.299 -11.699 36.171 1.00 0.06 C HETATM 1389 NE ALA A 115 105.105 -11.881 34.966 1.00 -0.27 N HETATM 1390 CZ ALA A 115 105.413 -10.905 34.116 1.00 0.29 C HETATM 1391 NH1 ALA A 115 105.005 -9.675 34.363 1.00 -0.28 N HETATM 1392 H17 ALA A 115 105.239 -8.914 33.710 1.00 0.26 H HETATM 1393 H18 ALA A 115 104.452 -9.476 35.209 1.00 0.26 H HETATM 1394 NH2 ALA A 115 106.155 -11.156 33.035 1.00 -0.28 N HETATM 1395 H19 ALA A 115 106.474 -12.116 32.841 1.00 0.26 H HETATM 1396 H20 ALA A 115 106.408 -10.390 32.395 1.00 0.26 H HETATM 1397 H16 ALA A 115 105.458 -12.827 34.761 1.00 0.26 H HETATM 1398 H14 ALA A 115 104.851 -12.095 37.036 1.00 0.07 H HETATM 1399 H15 ALA A 115 104.109 -10.626 36.318 1.00 0.07 H HETATM 1400 H12 ALA A 115 103.161 -13.509 36.023 1.00 0.03 H HETATM 1401 H13 ALA A 115 102.356 -12.186 36.933 1.00 0.03 H HETATM 1402 H10 ALA A 115 102.085 -10.926 34.790 1.00 0.03 H HETATM 1403 H11 ALA A 115 102.804 -12.318 33.910 1.00 0.03 H HETATM 1404 H9 ALA A 115 100.231 -12.394 35.553 1.00 0.08 H HETATM 1405 H8 ALA A 115 101.739 -14.505 34.156 1.00 0.19 H HETATM 1406 CB ALA A 115 99.762 -16.789 33.356 1.00 -0.00 C HETATM 1407 H5 ALA A 115 100.294 -16.154 32.632 1.00 0.03 H HETATM 1408 H6 ALA A 115 98.678 -16.633 33.253 1.00 0.03 H HETATM 1409 H7 ALA A 115 100.001 -17.845 33.162 1.00 0.03 H HETATM 1410 H4 ALA A 115 101.275 -16.620 34.873 1.00 0.11 H HETATM 1411 H1 ALA A 115 99.677 -18.224 35.545 1.00 0.20 H HETATM 1412 H2 ALA A 115 98.510 -17.073 35.695 1.00 0.20 H HETATM 1413 H3 ALA A 115 99.831 -17.038 36.676 1.00 0.20 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 58 57 1049 CONECT 85 84 1049 CONECT 263 262 1048 CONECT 285 284 1048 CONECT 319 318 321 1049 CONECT 344 343 1049 CONECT 528 527 1048 CONECT 554 553 1048 CONECT 583 582 1047 CONECT 604 603 1047 CONECT 737 736 1050 CONECT 761 760 1050 CONECT 812 811 814 1047 CONECT 841 840 1047 CONECT 980 979 1050 CONECT 1007 1006 1050 CONECT 1047 583 604 812 841 CONECT 1048 263 285 528 554 CONECT 1049 58 85 319 344 CONECT 1050 737 761 980 1007 CONECT 1161 1162 1411 1412 1413 CONECT 1162 1161 1163 1406 1410 CONECT 1163 1162 1164 1165 CONECT 1164 1163 CONECT 1165 1163 1166 1405 CONECT 1166 1165 1167 1386 1404 CONECT 1167 1166 1168 1169 CONECT 1168 1167 CONECT 1169 1167 1170 1385 CONECT 1170 1169 1171 1376 1384 CONECT 1171 1170 1172 1173 CONECT 1172 1171 CONECT 1173 1171 1174 1375 CONECT 1174 1173 1175 1358 1374 CONECT 1175 1174 1176 1177 CONECT 1176 1175 CONECT 1177 1175 1178 1357 CONECT 1178 1177 1179 1345 1356 CONECT 1179 1178 1180 1181 CONECT 1180 1179 CONECT 1181 1179 1182 1344 CONECT 1182 1181 1183 1335 1343 CONECT 1183 1182 1184 1185 CONECT 1184 1183 CONECT 1185 1183 1186 1334 CONECT 1186 1185 1187 1329 1333 CONECT 1187 1186 1188 1189 CONECT 1188 1187 CONECT 1189 1187 1190 1328 CONECT 1190 1189 1191 1309 1327 CONECT 1191 1190 1192 1193 CONECT 1192 1191 CONECT 1193 1191 1194 1308 CONECT 1194 1193 1195 1291 1307 CONECT 1195 1194 1196 1197 CONECT 1196 1195 CONECT 1197 1195 1198 1290 CONECT 1198 1197 1199 1284 1289 CONECT 1199 1198 1200 1201 CONECT 1200 1199 CONECT 1201 1199 1202 1283 CONECT 1202 1201 1203 1274 1282 CONECT 1203 1202 1204 1205 CONECT 1204 1203 CONECT 1205 1203 1206 1273 CONECT 1206 1205 1207 1271 1272 CONECT 1207 1206 1208 1209 CONECT 1208 1207 CONECT 1209 1207 1210 1270 CONECT 1210 1209 1211 1268 1269 CONECT 1211 1210 1212 1213 CONECT 1212 1211 CONECT 1213 1211 1214 1267 CONECT 1214 1213 1215 1239 1266 CONECT 1215 1214 1216 1237 1238 CONECT 1216 1215 1217 1235 1236 CONECT 1217 1216 1218 1233 1234 CONECT 1218 1217 1219 1231 1232 CONECT 1219 1218 1220 1230 CONECT 1220 1219 1221 1222 CONECT 1221 1220 CONECT 1222 1220 1223 1229 CONECT 1223 1222 1224 1228 CONECT 1224 1223 1225 1226 1227 CONECT 1225 1224 CONECT 1226 1224 CONECT 1227 1224 CONECT 1228 1223 CONECT 1229 1222 CONECT 1230 1219 CONECT 1231 1218 CONECT 1232 1218 CONECT 1233 1217 CONECT 1234 1217 CONECT 1235 1216 CONECT 1236 1216 CONECT 1237 1215 CONECT 1238 1215 CONECT 1239 1214 1240 1241 CONECT 1240 1239 CONECT 1241 1239 1242 1265 CONECT 1242 1241 1243 1260 1264 CONECT 1243 1242 1244 1245 CONECT 1244 1243 CONECT 1245 1243 1246 1252 CONECT 1246 1245 1247 1250 1259 CONECT 1247 1246 1248 1249 CONECT 1248 1247 CONECT 1249 1247 CONECT 1250 1246 1251 1257 1258 CONECT 1251 1250 1252 1255 1256 CONECT 1252 1245 1251 1253 1254 CONECT 1253 1252 CONECT 1254 1252 CONECT 1255 1251 CONECT 1256 1251 CONECT 1257 1250 CONECT 1258 1250 CONECT 1259 1246 CONECT 1260 1242 1261 1262 1263 CONECT 1261 1260 CONECT 1262 1260 CONECT 1263 1260 CONECT 1264 1242 CONECT 1265 1241 CONECT 1266 1214 CONECT 1267 1213 CONECT 1268 1210 CONECT 1269 1210 CONECT 1270 1209 CONECT 1271 1206 CONECT 1272 1206 CONECT 1273 1205 CONECT 1274 1202 1275 1277 1281 CONECT 1275 1274 1276 CONECT 1276 1275 CONECT 1277 1274 1278 1279 1280 CONECT 1278 1277 CONECT 1279 1277 CONECT 1280 1277 CONECT 1281 1274 CONECT 1282 1202 CONECT 1283 1201 CONECT 1284 1198 1285 1287 1288 CONECT 1285 1284 1286 CONECT 1286 1285 CONECT 1287 1284 CONECT 1288 1284 CONECT 1289 1198 CONECT 1290 1197 CONECT 1291 1194 1292 1305 1306 CONECT 1292 1291 1293 1303 1304 CONECT 1293 1292 1294 1301 1302 CONECT 1294 1293 1295 1299 1300 CONECT 1295 1294 1296 1297 1298 CONECT 1296 1295 CONECT 1297 1295 CONECT 1298 1295 CONECT 1299 1294 CONECT 1300 1294 CONECT 1301 1293 CONECT 1302 1293 CONECT 1303 1292 CONECT 1304 1292 CONECT 1305 1291 CONECT 1306 1291 CONECT 1307 1194 CONECT 1308 1193 CONECT 1309 1190 1310 1325 1326 CONECT 1310 1309 1311 1323 1324 CONECT 1311 1310 1312 1321 1322 CONECT 1312 1311 1313 1320 CONECT 1313 1312 1314 1317 CONECT 1314 1313 1315 1316 CONECT 1315 1314 CONECT 1316 1314 CONECT 1317 1313 1318 1319 CONECT 1318 1317 CONECT 1319 1317 CONECT 1320 1312 CONECT 1321 1311 CONECT 1322 1311 CONECT 1323 1310 CONECT 1324 1310 CONECT 1325 1309 CONECT 1326 1309 CONECT 1327 1190 CONECT 1328 1189 CONECT 1329 1186 1330 1331 1332 CONECT 1330 1329 CONECT 1331 1329 CONECT 1332 1329 CONECT 1333 1186 CONECT 1334 1185 CONECT 1335 1182 1336 1338 1342 CONECT 1336 1335 1337 CONECT 1337 1336 CONECT 1338 1335 1339 1340 1341 CONECT 1339 1338 CONECT 1340 1338 CONECT 1341 1338 CONECT 1342 1335 CONECT 1343 1182 CONECT 1344 1181 CONECT 1345 1178 1346 1354 1355 CONECT 1346 1345 1347 1352 1353 CONECT 1347 1346 1348 1349 CONECT 1348 1347 CONECT 1349 1347 1350 1351 CONECT 1350 1349 CONECT 1351 1349 CONECT 1352 1346 CONECT 1353 1346 CONECT 1354 1345 CONECT 1355 1345 CONECT 1356 1178 CONECT 1357 1177 CONECT 1358 1174 1359 1372 1373 CONECT 1359 1358 1360 1370 1371 CONECT 1360 1359 1361 1368 1369 CONECT 1361 1360 1362 1366 1367 CONECT 1362 1361 1363 1364 1365 CONECT 1363 1362 CONECT 1364 1362 CONECT 1365 1362 CONECT 1366 1361 CONECT 1367 1361 CONECT 1368 1360 CONECT 1369 1360 CONECT 1370 1359 CONECT 1371 1359 CONECT 1372 1358 CONECT 1373 1358 CONECT 1374 1174 CONECT 1375 1173 CONECT 1376 1170 1377 1379 1383 CONECT 1377 1376 1378 CONECT 1378 1377 CONECT 1379 1376 1380 1381 1382 CONECT 1380 1379 CONECT 1381 1379 CONECT 1382 1379 CONECT 1383 1376 CONECT 1384 1170 CONECT 1385 1169 CONECT 1386 1166 1387 1402 1403 CONECT 1387 1386 1388 1400 1401 CONECT 1388 1387 1389 1398 1399 CONECT 1389 1388 1390 1397 CONECT 1390 1389 1391 1394 CONECT 1391 1390 1392 1393 CONECT 1392 1391 CONECT 1393 1391 CONECT 1394 1390 1395 1396 CONECT 1395 1394 CONECT 1396 1394 CONECT 1397 1389 CONECT 1398 1388 CONECT 1399 1388 CONECT 1400 1387 CONECT 1401 1387 CONECT 1402 1386 CONECT 1403 1386 CONECT 1404 1166 CONECT 1405 1165 CONECT 1406 1162 1407 1408 1409 CONECT 1407 1406 CONECT 1408 1406 CONECT 1409 1406 CONECT 1410 1162 CONECT 1411 1161 CONECT 1412 1161 CONECT 1413 1161 MASTER 0 0 0 0 0 0 0 0 1412 1 277 9 END
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Entry Information
PDB ID
6oie
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
double PHD finger (DPF) of MORF
Ligand Name
19-mer
EC.Number
E.C.2.3.1.48
Resolution
2.08(Å)
Affinity (Kd/Ki/IC50)
Kd=0.7uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Nat Commun Vol. 10: pp. 4724-4724
Ligand Properties
Formula
C
7
2
H
1
3
3
N
2
6
O
2
3
Molecular Weight
1730.990
Exact Mass
1730.000
No. of atoms
254
No. of bonds
254
Polar Surface Area
833.06
LOGP Value
-8.29 (
Computed with XLOGP3
)
-9.56 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 23
No. of Hydrogen Bond Acceptors: 23
No. of Rotatable Bonds: 78
No. of Nitrogen and Oxygen Atoms: 49
No. of Rings: 1
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C)CCCCNC(=O)/C=C/C)[C@H](O)C)CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C)CCC[NH+]=C(N)N)CCCC[NH3+])CCC(=O)N)C)CCC[NH+]=C(N)N
InChI String
InChI=1S/C72H128N26O23/c1-8-18-51(104)81-29-14-11-21-42(59(109)87-38(4)69(119)98-32-17-24-49(98)70(120)121)88-53(106)34-84-52(105)33-85-66(116)54(39(5)100)95-65(115)48(35-99)94-62(112)43(19-9-12-27-73)91-61(111)45(22-15-30-82-71(77)78)90-58(108)37(3)86-67(117)55(40(6)101)96-64(114)47(25-26-50(76)103)92-60(110)44(20-10-13-28-74)93-68(118)56(41(7)102)97-63(113)46(89-57(107)36(2)75)23-16-31-83-72(79)80/h8,18,36-49,54-56,99-102H,9-17,19-35,73-75H2,1-7H3,(H2,76,103)(H,81,104)(H,84,105)(H,85,116)(H,86,117)(H,87,109)(H,88,106)(H,89,107)(H,90,108)(H,91,111)(H,92,110)(H,93,118)(H,94,112)(H,95,115)(H,96,114)(H,97,113)(H,120,121)(H4,77,78,82)(H4,79,80,83)/p+5/b18-8+/t36-,37-,38-,39+,40+,41+,42-,43-,44-,45-,46-,47-,48-,49-,54-,55-,56-/m0/s1
Links to External Databases
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The mother database
PDBsum
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q8WYB5
Q16695
Entrez Gene ID
NCBI Entrez Gene ID:
23522
8290
ASD
Information of known allosteric effects of PDB entries
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