Browse entries in the PDBbind-CN Database
HEADER 6O6G_COMPLEX COMPND 6O6G_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 24 ASP GLU LEU TYR ARG GLN SER LEU GLU ILE ILE SER ARG SEQRES 2 A 24 TYR LEU ARG GLU GLN ALA THR GLY ALA LYS ASP SEQRES 1 A 121 ARG SER GLY ALA THR SER ARG LYS ALA LEU GLU THR LEU SEQRES 2 A 121 ARG ARG VAL GLY ASP GLY VAL GLN ARG ASN HIS GLU THR SEQRES 3 A 121 ALA PHE GLN GLY MET LEU ARG LYS LEU ASP ILE LYS ASN SEQRES 4 A 121 GLU ASP ASP VAL LYS SER LEU SER ARG VAL MET ILE HIS SEQRES 5 A 121 VAL PHE SER ASP GLY VAL THR ASN TRP GLY ARG ILE VAL SEQRES 6 A 121 THR LEU ILE SER PHE GLY ALA PHE VAL ALA LYS HIS LEU SEQRES 7 A 121 LYS THR ILE ASN GLN GLU SER CYS ILE GLU PRO LEU ALA SEQRES 8 A 121 GLU SER ILE THR ASP VAL LEU VAL ARG THR LYS ARG ASP SEQRES 9 A 121 TRP LEU VAL LYS GLN ARG GLY TRP ASP GLY PHE VAL GLU SEQRES 10 A 121 PHE PHE HIS VAL HET LOJ A 199 47 ATOM 1 N ASP A 172 8.508 -6.527 -2.526 1.00 68.98 N ATOM 2 CA ASP A 172 8.399 -5.612 -1.354 1.00 67.70 C ATOM 3 C ASP A 172 9.387 -4.508 -1.634 1.00 67.72 C ATOM 4 O ASP A 172 10.594 -4.729 -1.520 1.00 67.43 O ATOM 5 CB ASP A 172 8.853 -6.316 -0.079 1.00 66.99 C ATOM 6 CG ASP A 172 8.325 -5.647 1.194 1.00 66.20 C ATOM 7 OD1 ASP A 172 8.126 -4.412 1.218 1.00 64.99 O ATOM 8 OD2 ASP A 172 8.119 -6.372 2.186 1.00 66.99 O ATOM 9 HN3 ASP A 172 9.481 -6.888 -2.593 1.00 0.00 H ATOM 10 HN2 ASP A 172 8.269 -6.006 -3.394 1.00 0.00 H ATOM 11 HN1 ASP A 172 7.849 -7.323 -2.405 1.00 0.00 H ATOM 12 N GLU A 173 8.927 -3.333 -2.036 1.00 66.73 N ATOM 13 CA GLU A 173 9.922 -2.300 -2.247 1.00 66.42 C ATOM 14 C GLU A 173 10.288 -1.693 -0.902 1.00 65.05 C ATOM 15 O GLU A 173 11.444 -1.381 -0.670 1.00 65.30 O ATOM 16 CB GLU A 173 9.449 -1.177 -3.180 1.00 67.44 C ATOM 17 CG GLU A 173 10.625 -0.320 -3.675 1.00 70.04 C ATOM 18 CD GLU A 173 11.385 -0.912 -4.886 1.00 71.29 C ATOM 19 OE1 GLU A 173 11.240 -2.107 -5.248 1.00 71.15 O ATOM 20 OE2 GLU A 173 12.159 -0.140 -5.485 1.00 73.21 O ATOM 21 H GLU A 173 7.913 -3.162 -2.191 1.00 0.00 H ATOM 22 N LEU A 174 9.299 -1.513 -0.030 1.00 63.98 N ATOM 23 CA LEU A 174 9.560 -0.923 1.276 1.00 62.46 C ATOM 24 C LEU A 174 10.669 -1.676 2.016 1.00 62.33 C ATOM 25 O LEU A 174 11.459 -1.075 2.737 1.00 62.14 O ATOM 26 CB LEU A 174 8.288 -0.884 2.128 1.00 61.49 C ATOM 27 CG LEU A 174 8.454 -0.182 3.475 1.00 59.63 C ATOM 28 CD1 LEU A 174 8.595 1.335 3.314 1.00 59.45 C ATOM 29 CD2 LEU A 174 7.248 -0.559 4.310 1.00 59.60 C ATOM 30 H LEU A 174 8.331 -1.796 -0.283 1.00 0.00 H ATOM 31 N TYR A 175 10.743 -2.982 1.813 1.00 60.81 N ATOM 32 CA TYR A 175 11.770 -3.755 2.489 1.00 60.31 C ATOM 33 C TYR A 175 13.148 -3.562 1.894 1.00 60.52 C ATOM 34 O TYR A 175 14.098 -3.342 2.650 1.00 60.90 O ATOM 35 CB TYR A 175 11.446 -5.262 2.521 1.00 59.71 C ATOM 36 CG TYR A 175 12.620 -6.141 2.963 1.00 59.96 C ATOM 37 CD1 TYR A 175 13.788 -6.234 2.200 1.00 60.90 C ATOM 38 CD2 TYR A 175 12.569 -6.865 4.156 1.00 61.95 C ATOM 39 CE1 TYR A 175 14.884 -7.033 2.613 1.00 61.12 C ATOM 40 CE2 TYR A 175 13.674 -7.682 4.595 1.00 62.07 C ATOM 41 CZ TYR A 175 14.827 -7.749 3.814 1.00 61.56 C ATOM 42 OH TYR A 175 15.927 -8.484 4.214 1.00 62.58 O ATOM 43 HH TYR A 175 16.639 -8.408 3.531 1.00 0.00 H ATOM 44 H TYR A 175 10.070 -3.451 1.174 1.00 0.00 H ATOM 45 N ARG A 176 13.264 -3.645 0.568 1.00 58.88 N ATOM 46 CA ARG A 176 14.562 -3.527 -0.091 1.00 58.04 C ATOM 47 C ARG A 176 15.217 -2.226 0.283 1.00 55.87 C ATOM 48 O ARG A 176 16.416 -2.176 0.568 1.00 56.35 O ATOM 49 CB ARG A 176 14.414 -3.576 -1.612 1.00 60.57 C ATOM 50 CG ARG A 176 15.734 -3.581 -2.368 1.00 63.54 C ATOM 51 CD ARG A 176 15.531 -2.856 -3.702 1.00 67.31 C ATOM 52 NE ARG A 176 15.112 -1.456 -3.549 1.00 69.46 N ATOM 53 CZ ARG A 176 15.965 -0.435 -3.451 1.00 71.29 C ATOM 54 NH1 ARG A 176 15.517 0.805 -3.280 1.00 70.59 N ATOM 55 NH2 ARG A 176 17.274 -0.655 -3.518 1.00 71.10 N ATOM 56 HE ARG A 176 14.093 -1.249 -3.515 1.00 0.00 H ATOM 57 HH12 ARG A 176 16.189 1.595 -3.205 1.00 0.00 H ATOM 58 HH11 ARG A 176 14.494 0.985 -3.222 1.00 0.00 H ATOM 59 HH22 ARG A 176 17.940 0.140 -3.442 1.00 0.00 H ATOM 60 HH21 ARG A 176 17.633 -1.623 -3.647 1.00 0.00 H ATOM 61 H ARG A 176 12.412 -3.797 -0.009 1.00 0.00 H ATOM 62 N GLN A 177 14.411 -1.174 0.283 1.00 51.76 N ATOM 63 CA GLN A 177 14.881 0.167 0.591 1.00 49.50 C ATOM 64 C GLN A 177 15.323 0.325 2.050 1.00 47.43 C ATOM 65 O GLN A 177 16.321 0.977 2.343 1.00 45.68 O ATOM 66 CB GLN A 177 13.783 1.177 0.254 1.00 49.38 C ATOM 67 CG GLN A 177 14.094 2.586 0.692 1.00 50.21 C ATOM 68 CD GLN A 177 12.898 3.508 0.563 1.00 52.58 C ATOM 69 OE1 GLN A 177 11.780 3.162 0.957 1.00 53.67 O ATOM 70 NE2 GLN A 177 13.127 4.695 0.020 1.00 54.71 N ATOM 71 HE22 GLN A 177 14.085 4.945 -0.298 1.00 0.00 H ATOM 72 HE21 GLN A 177 12.349 5.376 -0.088 1.00 0.00 H ATOM 73 H GLN A 177 13.406 -1.313 0.054 1.00 0.00 H ATOM 74 N SER A 178 14.558 -0.268 2.952 1.00 44.77 N ATOM 75 CA SER A 178 14.881 -0.237 4.359 1.00 45.06 C ATOM 76 C SER A 178 16.200 -0.989 4.597 1.00 44.46 C ATOM 77 O SER A 178 17.049 -0.544 5.373 1.00 41.56 O ATOM 78 CB SER A 178 13.757 -0.895 5.149 1.00 45.28 C ATOM 79 OG SER A 178 12.581 -0.118 5.069 1.00 44.58 O ATOM 80 HG SER A 178 12.305 -0.035 4.122 1.00 0.00 H ATOM 81 H SER A 178 13.702 -0.769 2.640 1.00 0.00 H ATOM 82 N LEU A 179 16.363 -2.123 3.921 1.00 44.23 N ATOM 83 CA LEU A 179 17.573 -2.907 4.074 1.00 45.76 C ATOM 84 C LEU A 179 18.760 -2.145 3.536 1.00 46.26 C ATOM 85 O LEU A 179 19.825 -2.189 4.126 1.00 48.47 O ATOM 86 CB LEU A 179 17.470 -4.246 3.344 1.00 45.91 C ATOM 87 CG LEU A 179 18.726 -5.131 3.446 1.00 49.12 C ATOM 88 CD1 LEU A 179 19.064 -5.383 4.927 1.00 46.86 C ATOM 89 CD2 LEU A 179 18.483 -6.458 2.777 1.00 46.91 C ATOM 90 H LEU A 179 15.615 -2.450 3.277 1.00 0.00 H ATOM 91 N GLU A 180 18.587 -1.450 2.417 1.00 45.74 N ATOM 92 CA GLU A 180 19.702 -0.703 1.839 1.00 45.60 C ATOM 93 C GLU A 180 20.171 0.373 2.793 1.00 43.97 C ATOM 94 O GLU A 180 21.363 0.554 2.990 1.00 42.68 O ATOM 95 CB GLU A 180 19.345 -0.047 0.486 1.00 47.33 C ATOM 96 CG GLU A 180 20.537 0.761 -0.083 1.00 51.21 C ATOM 97 CD GLU A 180 20.253 1.481 -1.395 1.00 56.30 C ATOM 98 OE1 GLU A 180 19.188 2.131 -1.492 1.00 57.83 O ATOM 99 OE2 GLU A 180 21.106 1.412 -2.316 1.00 57.30 O ATOM 100 H GLU A 180 17.657 -1.438 1.952 1.00 0.00 H ATOM 101 N ILE A 181 19.217 1.113 3.348 1.00 43.35 N ATOM 102 CA ILE A 181 19.508 2.182 4.301 1.00 42.92 C ATOM 103 C ILE A 181 20.229 1.651 5.549 1.00 41.87 C ATOM 104 O ILE A 181 21.390 1.981 5.799 1.00 41.48 O ATOM 105 CB ILE A 181 18.193 2.909 4.712 1.00 43.84 C ATOM 106 CG1 ILE A 181 17.696 3.768 3.548 1.00 45.02 C ATOM 107 CG2 ILE A 181 18.401 3.810 5.917 1.00 43.58 C ATOM 108 CD1 ILE A 181 16.276 4.289 3.724 1.00 41.76 C ATOM 109 H ILE A 181 18.226 0.924 3.095 1.00 0.00 H ATOM 110 N ILE A 182 19.524 0.838 6.321 1.00 40.69 N ATOM 111 CA ILE A 182 20.048 0.261 7.547 1.00 41.39 C ATOM 112 C ILE A 182 21.353 -0.482 7.329 1.00 43.20 C ATOM 113 O ILE A 182 22.215 -0.514 8.192 1.00 42.49 O ATOM 114 CB ILE A 182 18.986 -0.676 8.186 1.00 39.53 C ATOM 115 CG1 ILE A 182 17.765 0.168 8.578 1.00 40.29 C ATOM 116 CG2 ILE A 182 19.533 -1.364 9.409 1.00 39.78 C ATOM 117 CD1 ILE A 182 16.529 -0.631 8.949 1.00 43.59 C ATOM 118 H ILE A 182 18.552 0.602 6.037 1.00 0.00 H ATOM 119 N SER A 183 21.502 -1.056 6.158 1.00 42.24 N ATOM 120 CA SER A 183 22.710 -1.779 5.895 1.00 44.08 C ATOM 121 C SER A 183 23.912 -0.895 5.670 1.00 43.29 C ATOM 122 O SER A 183 25.018 -1.203 6.129 1.00 41.89 O ATOM 123 CB SER A 183 22.529 -2.645 4.693 1.00 45.94 C ATOM 124 OG SER A 183 23.826 -2.949 4.217 1.00 50.95 O ATOM 125 HG SER A 183 23.755 -3.525 3.415 1.00 0.00 H ATOM 126 H SER A 183 20.757 -0.987 5.435 1.00 0.00 H ATOM 127 N ARG A 184 23.697 0.192 4.939 1.00 44.17 N ATOM 128 CA ARG A 184 24.781 1.085 4.630 1.00 43.98 C ATOM 129 C ARG A 184 25.167 1.841 5.881 1.00 41.81 C ATOM 130 O ARG A 184 26.339 2.094 6.096 1.00 42.97 O ATOM 131 CB ARG A 184 24.396 2.029 3.488 1.00 47.67 C ATOM 132 CG ARG A 184 25.601 2.714 2.846 1.00 53.38 C ATOM 133 CD ARG A 184 25.394 2.850 1.336 1.00 57.42 C ATOM 134 NE ARG A 184 24.477 1.819 0.849 1.00 61.05 N ATOM 135 CZ ARG A 184 24.125 1.669 -0.417 1.00 62.62 C ATOM 136 NH1 ARG A 184 24.593 2.505 -1.333 1.00 63.64 N ATOM 137 NH2 ARG A 184 23.388 0.625 -0.771 1.00 64.09 N ATOM 138 HE ARG A 184 24.075 1.160 1.545 1.00 0.00 H ATOM 139 HH12 ARG A 184 24.319 2.391 -2.330 1.00 0.00 H ATOM 140 HH11 ARG A 184 25.234 3.275 -1.055 1.00 0.00 H ATOM 141 HH22 ARG A 184 23.107 0.500 -1.764 1.00 0.00 H ATOM 142 HH21 ARG A 184 23.091 -0.069 -0.055 1.00 0.00 H ATOM 143 H ARG A 184 22.740 0.399 4.588 1.00 0.00 H ATOM 144 N TYR A 185 24.181 2.193 6.704 1.00 40.90 N ATOM 145 CA TYR A 185 24.456 2.889 7.961 1.00 36.63 C ATOM 146 C TYR A 185 25.323 1.993 8.838 1.00 35.34 C ATOM 147 O TYR A 185 26.363 2.429 9.339 1.00 34.47 O ATOM 148 CB TYR A 185 23.171 3.219 8.719 1.00 32.20 C ATOM 149 CG TYR A 185 23.418 4.009 9.998 1.00 33.71 C ATOM 150 CD1 TYR A 185 24.119 5.223 9.968 1.00 31.28 C ATOM 151 CD2 TYR A 185 22.927 3.562 11.232 1.00 29.40 C ATOM 152 CE1 TYR A 185 24.314 5.963 11.125 1.00 32.21 C ATOM 153 CE2 TYR A 185 23.117 4.296 12.383 1.00 29.39 C ATOM 154 CZ TYR A 185 23.810 5.497 12.320 1.00 30.92 C ATOM 155 OH TYR A 185 23.987 6.268 13.430 1.00 36.15 O ATOM 156 HH TYR A 185 24.501 7.079 13.189 1.00 0.00 H ATOM 157 H TYR A 185 23.198 1.969 6.449 1.00 0.00 H ATOM 158 N LEU A 186 24.889 0.748 9.026 1.00 33.18 N ATOM 159 CA LEU A 186 25.643 -0.204 9.833 1.00 34.11 C ATOM 160 C LEU A 186 27.066 -0.432 9.315 1.00 34.23 C ATOM 161 O LEU A 186 28.012 -0.409 10.084 1.00 37.23 O ATOM 162 CB LEU A 186 24.888 -1.532 9.937 1.00 29.96 C ATOM 163 CG LEU A 186 24.128 -1.616 11.270 1.00 32.15 C ATOM 164 CD1 LEU A 186 22.946 -0.625 11.269 1.00 29.46 C ATOM 165 CD2 LEU A 186 23.649 -3.046 11.527 1.00 30.93 C ATOM 166 H LEU A 186 23.994 0.449 8.588 1.00 0.00 H ATOM 167 N ARG A 187 27.206 -0.637 8.011 1.00 37.39 N ATOM 168 CA ARG A 187 28.498 -0.856 7.379 1.00 37.40 C ATOM 169 C ARG A 187 29.449 0.341 7.505 1.00 39.90 C ATOM 170 O ARG A 187 30.643 0.164 7.826 1.00 39.30 O ATOM 171 CB ARG A 187 28.295 -1.193 5.918 1.00 38.53 C ATOM 172 H ARG A 187 26.354 -0.641 7.414 1.00 0.00 H ATOM 173 N GLU A 188 28.944 1.549 7.248 1.00 38.58 N ATOM 174 CA GLU A 188 29.803 2.729 7.344 1.00 41.69 C ATOM 175 C GLU A 188 30.189 3.036 8.794 1.00 41.62 C ATOM 176 O GLU A 188 31.279 3.521 9.055 1.00 43.83 O ATOM 177 CB GLU A 188 29.150 3.965 6.683 1.00 41.58 C ATOM 178 CG GLU A 188 27.816 4.409 7.274 1.00 48.34 C ATOM 179 CD GLU A 188 27.252 5.658 6.594 1.00 50.42 C ATOM 180 OE1 GLU A 188 27.411 5.799 5.359 1.00 50.91 O ATOM 181 OE2 GLU A 188 26.626 6.497 7.278 1.00 52.98 O ATOM 182 H GLU A 188 27.944 1.651 6.981 1.00 0.00 H ATOM 183 N GLN A 189 29.294 2.751 9.726 1.00 40.96 N ATOM 184 CA GLN A 189 29.565 2.992 11.129 1.00 41.79 C ATOM 185 C GLN A 189 30.687 2.090 11.620 1.00 43.12 C ATOM 186 O GLN A 189 31.551 2.522 12.372 1.00 42.04 O ATOM 187 CB GLN A 189 28.293 2.773 11.947 1.00 39.39 C ATOM 188 CG GLN A 189 27.290 3.942 11.814 1.00 37.35 C ATOM 189 CD GLN A 189 27.574 5.085 12.784 1.00 34.40 C ATOM 190 OE1 GLN A 189 27.438 4.914 13.989 1.00 37.05 O ATOM 191 NE2 GLN A 189 27.959 6.243 12.266 1.00 29.78 N ATOM 192 HE22 GLN A 189 28.061 6.343 11.236 1.00 0.00 H ATOM 193 HE21 GLN A 189 28.159 7.051 12.890 1.00 0.00 H ATOM 194 H GLN A 189 28.378 2.346 9.446 1.00 0.00 H ATOM 195 N ALA A 190 30.681 0.844 11.162 1.00 45.19 N ATOM 196 CA ALA A 190 31.692 -0.118 11.558 1.00 47.28 C ATOM 197 C ALA A 190 33.017 0.125 10.852 1.00 48.82 C ATOM 198 O ALA A 190 34.068 0.127 11.472 1.00 50.63 O ATOM 199 CB ALA A 190 31.199 -1.516 11.272 1.00 46.39 C ATOM 200 H ALA A 190 29.932 0.550 10.503 1.00 0.00 H ATOM 201 N THR A 191 32.963 0.336 9.550 1.00 52.43 N ATOM 202 CA THR A 191 34.157 0.570 8.752 1.00 55.60 C ATOM 203 C THR A 191 34.726 1.974 8.935 1.00 57.74 C ATOM 204 O THR A 191 35.940 2.177 8.867 1.00 58.31 O ATOM 205 CB THR A 191 33.843 0.341 7.240 1.00 57.54 C ATOM 206 OG1 THR A 191 32.877 1.305 6.775 1.00 59.73 O ATOM 207 CG2 THR A 191 33.267 -1.059 7.037 1.00 58.83 C ATOM 208 HG1 THR A 191 32.041 1.210 7.296 1.00 0.00 H ATOM 209 H THR A 191 32.036 0.335 9.079 1.00 0.00 H ATOM 210 N GLY A 192 33.834 2.935 9.169 1.00 59.20 N ATOM 211 CA GLY A 192 34.230 4.321 9.326 1.00 60.71 C ATOM 212 C GLY A 192 34.411 4.967 7.954 1.00 62.74 C ATOM 213 O GLY A 192 34.919 6.081 7.846 1.00 61.86 O ATOM 214 H GLY A 192 32.827 2.685 9.241 1.00 0.00 H ATOM 215 N ALA A 193 33.995 4.271 6.892 1.00 64.65 N ATOM 216 CA ALA A 193 34.138 4.806 5.533 1.00 66.47 C ATOM 217 C ALA A 193 32.900 4.645 4.668 1.00 67.25 C ATOM 218 O ALA A 193 32.416 3.540 4.462 1.00 66.58 O ATOM 219 CB ALA A 193 35.337 4.166 4.836 1.00 66.13 C ATOM 220 H ALA A 193 33.563 3.335 7.031 1.00 0.00 H ATOM 221 N LYS A 194 32.431 5.765 4.127 1.00 69.87 N ATOM 222 CA LYS A 194 31.244 5.806 3.280 1.00 72.47 C ATOM 223 C LYS A 194 31.280 4.880 2.066 1.00 75.03 C ATOM 224 O LYS A 194 32.330 4.656 1.464 1.00 75.59 O ATOM 225 CB LYS A 194 31.001 7.228 2.834 1.00 71.98 C ATOM 226 H LYS A 194 32.935 6.655 4.317 1.00 0.00 H ATOM 227 N ASP A 195 30.112 4.357 1.712 1.00 77.75 N ATOM 228 CA ASP A 195 29.966 3.470 0.562 1.00 80.32 C ATOM 229 C ASP A 195 29.281 4.253 -0.565 1.00 80.80 C ATOM 230 O ASP A 195 28.873 5.405 -0.356 1.00 81.53 O ATOM 231 CB ASP A 195 29.102 2.268 0.938 1.00 82.11 C ATOM 232 CG ASP A 195 29.762 0.953 0.596 1.00 83.72 C ATOM 233 OD1 ASP A 195 30.672 0.542 1.350 1.00 84.62 O ATOM 234 OD2 ASP A 195 29.397 0.342 -0.436 1.00 84.96 O ATOM 235 H ASP A 195 29.269 4.588 2.276 1.00 0.00 H TER 236 ASP A 195 ATOM 237 N ARG A 201 17.103 3.894 -6.671 1.00 90.23 N ATOM 238 CA ARG A 201 15.766 3.301 -6.673 1.00 90.47 C ATOM 239 C ARG A 201 15.003 3.861 -5.459 1.00 90.58 C ATOM 240 O ARG A 201 14.999 3.210 -4.406 1.00 91.03 O ATOM 241 CB ARG A 201 15.921 1.775 -6.572 1.00 89.83 C ATOM 242 HN3 ARG A 201 17.592 3.641 -5.788 1.00 0.00 H ATOM 243 HN2 ARG A 201 17.022 4.929 -6.740 1.00 0.00 H ATOM 244 HN1 ARG A 201 17.643 3.532 -7.483 1.00 0.00 H ATOM 245 N SER A 202 14.304 4.961 -5.633 1.00 90.42 N ATOM 246 CA SER A 202 13.828 5.639 -4.477 1.00 90.05 C ATOM 247 C SER A 202 14.964 6.509 -4.073 1.00 89.16 C ATOM 248 O SER A 202 15.380 6.495 -2.941 1.00 88.97 O ATOM 249 CB SER A 202 13.566 4.615 -3.399 1.00 90.29 C ATOM 250 OG SER A 202 12.205 4.233 -3.413 1.00 91.88 O ATOM 251 HG SER A 202 12.044 3.562 -2.703 1.00 0.00 H ATOM 252 H SER A 202 14.105 5.324 -6.587 1.00 0.00 H ATOM 253 N GLY A 203 15.491 7.228 -5.051 1.00 89.18 N ATOM 254 CA GLY A 203 16.674 8.072 -4.863 1.00 88.71 C ATOM 255 C GLY A 203 16.027 9.430 -4.617 1.00 87.78 C ATOM 256 O GLY A 203 15.117 9.748 -5.370 1.00 88.61 O ATOM 257 H GLY A 203 15.048 7.193 -5.991 1.00 0.00 H ATOM 258 N ALA A 204 16.513 10.221 -3.652 1.00 86.38 N ATOM 259 CA ALA A 204 15.953 11.525 -3.260 1.00 84.98 C ATOM 260 C ALA A 204 15.125 11.339 -1.996 1.00 83.31 C ATOM 261 O ALA A 204 14.207 12.107 -1.713 1.00 84.05 O ATOM 262 CB ALA A 204 15.087 12.119 -4.351 1.00 85.40 C ATOM 263 H ALA A 204 17.353 9.887 -3.138 1.00 0.00 H ATOM 264 N THR A 205 15.431 10.272 -1.273 1.00 80.53 N ATOM 265 CA THR A 205 14.796 9.955 0.012 1.00 77.41 C ATOM 266 C THR A 205 15.869 9.129 0.745 1.00 74.15 C ATOM 267 O THR A 205 16.466 9.594 1.733 1.00 73.75 O ATOM 268 CB THR A 205 13.494 9.141 -0.166 1.00 78.32 C ATOM 269 OG1 THR A 205 12.464 10.016 -0.626 1.00 78.20 O ATOM 270 CG2 THR A 205 13.022 8.550 1.157 1.00 78.87 C ATOM 271 HG1 THR A 205 12.322 10.735 0.039 1.00 0.00 H ATOM 272 H THR A 205 16.160 9.624 -1.635 1.00 0.00 H ATOM 273 N SER A 206 16.106 7.923 0.248 1.00 70.71 N ATOM 274 CA SER A 206 17.176 7.100 0.766 1.00 67.54 C ATOM 275 C SER A 206 18.407 7.979 1.119 1.00 66.24 C ATOM 276 O SER A 206 18.939 7.924 2.233 1.00 64.36 O ATOM 277 CB SER A 206 17.588 6.106 -0.322 1.00 67.02 C ATOM 278 OG SER A 206 16.554 5.147 -0.428 1.00 65.97 O ATOM 279 HG SER A 206 15.709 5.601 -0.673 1.00 0.00 H ATOM 280 H SER A 206 15.513 7.563 -0.527 1.00 0.00 H ATOM 281 N ARG A 207 18.806 8.849 0.190 1.00 64.27 N ATOM 282 CA ARG A 207 19.944 9.708 0.499 1.00 62.67 C ATOM 283 C ARG A 207 19.626 10.594 1.718 1.00 60.98 C ATOM 284 O ARG A 207 20.547 10.848 2.529 1.00 61.43 O ATOM 285 CB ARG A 207 20.303 10.649 -0.613 1.00 64.01 C ATOM 286 CG ARG A 207 21.700 10.617 -1.184 1.00 67.29 C ATOM 287 CD ARG A 207 21.388 10.749 -2.689 1.00 70.02 C ATOM 288 NE ARG A 207 22.456 10.915 -3.660 1.00 72.09 N ATOM 289 CZ ARG A 207 23.182 12.026 -3.831 1.00 72.90 C ATOM 290 NH1 ARG A 207 22.924 13.110 -3.080 1.00 73.17 N ATOM 291 NH2 ARG A 207 24.201 12.025 -4.743 1.00 73.87 N ATOM 292 HE ARG A 207 22.674 10.103 -4.273 1.00 0.00 H ATOM 293 HH12 ARG A 207 23.485 13.977 -3.208 1.00 0.00 H ATOM 294 HH11 ARG A 207 22.164 13.082 -2.371 1.00 0.00 H ATOM 295 HH22 ARG A 207 24.773 12.882 -4.885 1.00 0.00 H ATOM 296 HH21 ARG A 207 24.404 11.167 -5.294 1.00 0.00 H ATOM 297 H ARG A 207 18.320 8.913 -0.727 1.00 0.00 H ATOM 298 N LYS A 208 18.392 11.137 1.811 1.00 58.13 N ATOM 299 CA LYS A 208 18.021 11.956 2.957 1.00 55.42 C ATOM 300 C LYS A 208 17.803 11.095 4.177 1.00 52.34 C ATOM 301 O LYS A 208 18.151 11.517 5.265 1.00 52.65 O ATOM 302 CB LYS A 208 16.769 12.788 2.684 1.00 55.76 C ATOM 303 CG LYS A 208 17.160 14.217 2.367 1.00 57.64 C ATOM 304 CD LYS A 208 16.165 14.916 1.483 1.00 60.56 C ATOM 305 CE LYS A 208 15.488 16.054 2.208 1.00 61.99 C ATOM 306 NZ LYS A 208 14.429 16.644 1.360 1.00 65.65 N ATOM 307 HZ1 LYS A 208 14.851 17.004 0.480 1.00 0.00 H ATOM 308 HZ2 LYS A 208 13.722 15.916 1.134 1.00 0.00 H ATOM 309 HZ3 LYS A 208 13.972 17.426 1.872 1.00 0.00 H ATOM 310 H LYS A 208 17.698 10.968 1.055 1.00 0.00 H ATOM 311 N ALA A 209 17.230 9.904 4.007 1.00 49.72 N ATOM 312 CA ALA A 209 17.031 8.984 5.132 1.00 49.77 C ATOM 313 C ALA A 209 18.389 8.674 5.784 1.00 48.24 C ATOM 314 O ALA A 209 18.553 8.810 6.986 1.00 47.82 O ATOM 315 CB ALA A 209 16.369 7.694 4.655 1.00 47.31 C ATOM 316 H ALA A 209 16.917 9.621 3.056 1.00 0.00 H ATOM 317 N LEU A 210 19.357 8.276 4.970 1.00 48.86 N ATOM 318 CA LEU A 210 20.688 7.964 5.451 1.00 49.06 C ATOM 319 C LEU A 210 21.296 9.188 6.125 1.00 48.32 C ATOM 320 O LEU A 210 21.995 9.055 7.129 1.00 48.74 O ATOM 321 CB LEU A 210 21.569 7.508 4.285 1.00 49.17 C ATOM 322 CG LEU A 210 22.870 6.795 4.684 1.00 52.06 C ATOM 323 CD1 LEU A 210 22.544 5.633 5.619 1.00 50.54 C ATOM 324 CD2 LEU A 210 23.612 6.302 3.440 1.00 50.97 C ATOM 325 H LEU A 210 19.155 8.185 3.954 1.00 0.00 H ATOM 326 N GLU A 211 21.002 10.371 5.589 1.00 48.32 N ATOM 327 CA GLU A 211 21.524 11.625 6.130 1.00 47.33 C ATOM 328 C GLU A 211 20.951 11.924 7.515 1.00 46.89 C ATOM 329 O GLU A 211 21.684 12.337 8.417 1.00 45.55 O ATOM 330 CB GLU A 211 21.202 12.755 5.191 1.00 47.69 C ATOM 331 H GLU A 211 20.379 10.404 4.757 1.00 0.00 H ATOM 332 N THR A 212 19.641 11.726 7.658 1.00 46.40 N ATOM 333 CA THR A 212 18.955 11.942 8.922 1.00 45.99 C ATOM 334 C THR A 212 19.444 10.934 9.946 1.00 43.53 C ATOM 335 O THR A 212 19.665 11.284 11.106 1.00 44.54 O ATOM 336 CB THR A 212 17.435 11.752 8.772 1.00 46.69 C ATOM 337 OG1 THR A 212 16.916 12.786 7.938 1.00 48.59 O ATOM 338 CG2 THR A 212 16.734 11.809 10.142 1.00 44.72 C ATOM 339 HG1 THR A 212 17.348 12.739 7.048 1.00 0.00 H ATOM 340 H THR A 212 19.090 11.406 6.836 1.00 0.00 H ATOM 341 N LEU A 213 19.617 9.691 9.494 1.00 40.69 N ATOM 342 CA LEU A 213 20.054 8.581 10.334 1.00 40.02 C ATOM 343 C LEU A 213 21.425 8.807 10.944 1.00 39.77 C ATOM 344 O LEU A 213 21.638 8.559 12.132 1.00 41.57 O ATOM 345 CB LEU A 213 20.050 7.287 9.521 1.00 37.84 C ATOM 346 CG LEU A 213 19.949 6.011 10.360 1.00 38.28 C ATOM 347 CD1 LEU A 213 18.762 6.110 11.310 1.00 37.73 C ATOM 348 CD2 LEU A 213 19.807 4.818 9.456 1.00 38.83 C ATOM 349 H LEU A 213 19.430 9.503 8.488 1.00 0.00 H ATOM 350 N ARG A 214 22.353 9.264 10.119 1.00 39.94 N ATOM 351 CA ARG A 214 23.681 9.560 10.587 1.00 39.85 C ATOM 352 C ARG A 214 23.571 10.563 11.720 1.00 39.75 C ATOM 353 O ARG A 214 24.151 10.375 12.788 1.00 41.77 O ATOM 354 CB ARG A 214 24.489 10.156 9.448 1.00 40.59 C ATOM 355 CG ARG A 214 24.735 9.187 8.336 1.00 42.19 C ATOM 356 CD ARG A 214 25.417 9.862 7.191 1.00 42.96 C ATOM 357 NE ARG A 214 25.804 8.883 6.186 1.00 44.16 N ATOM 358 CZ ARG A 214 25.878 9.135 4.880 1.00 45.54 C ATOM 359 NH1 ARG A 214 25.584 10.347 4.410 1.00 43.24 N ATOM 360 NH2 ARG A 214 26.246 8.170 4.040 1.00 45.56 N ATOM 361 HE ARG A 214 26.038 7.923 6.509 1.00 0.00 H ATOM 362 HH12 ARG A 214 25.644 10.537 3.389 1.00 0.00 H ATOM 363 HH11 ARG A 214 25.295 11.102 5.064 1.00 0.00 H ATOM 364 HH22 ARG A 214 26.305 8.363 3.020 1.00 0.00 H ATOM 365 HH21 ARG A 214 26.475 7.223 4.404 1.00 0.00 H ATOM 366 H ARG A 214 22.119 9.412 9.117 1.00 0.00 H ATOM 367 N ARG A 215 22.792 11.611 11.493 1.00 37.91 N ATOM 368 CA ARG A 215 22.638 12.666 12.479 1.00 39.69 C ATOM 369 C ARG A 215 21.996 12.271 13.804 1.00 39.88 C ATOM 370 O ARG A 215 22.572 12.505 14.868 1.00 39.05 O ATOM 371 CB ARG A 215 21.867 13.849 11.882 1.00 38.79 C ATOM 372 CG ARG A 215 21.307 14.796 12.938 1.00 40.49 C ATOM 373 CD ARG A 215 20.958 16.122 12.306 1.00 42.87 C ATOM 374 NE ARG A 215 19.916 16.033 11.289 1.00 43.98 N ATOM 375 CZ ARG A 215 18.612 16.084 11.532 1.00 45.18 C ATOM 376 NH1 ARG A 215 18.155 16.211 12.775 1.00 47.73 N ATOM 377 NH2 ARG A 215 17.769 16.062 10.515 1.00 45.75 N ATOM 378 HE ARG A 215 20.217 15.921 10.300 1.00 0.00 H ATOM 379 HH12 ARG A 215 17.131 16.250 12.951 1.00 0.00 H ATOM 380 HH11 ARG A 215 18.822 16.272 13.571 1.00 0.00 H ATOM 381 HH22 ARG A 215 16.744 16.101 10.688 1.00 0.00 H ATOM 382 HH21 ARG A 215 18.130 16.005 9.541 1.00 0.00 H ATOM 383 H ARG A 215 22.280 11.679 10.590 1.00 0.00 H ATOM 384 N VAL A 216 20.802 11.694 13.743 1.00 40.74 N ATOM 385 CA VAL A 216 20.104 11.340 14.966 1.00 40.08 C ATOM 386 C VAL A 216 20.613 10.039 15.559 1.00 39.10 C ATOM 387 O VAL A 216 20.683 9.910 16.776 1.00 40.82 O ATOM 388 CB VAL A 216 18.545 11.272 14.744 1.00 40.72 C ATOM 389 CG1 VAL A 216 18.109 12.427 13.853 1.00 40.11 C ATOM 390 CG2 VAL A 216 18.124 9.952 14.146 1.00 41.62 C ATOM 391 H VAL A 216 20.367 11.496 12.820 1.00 0.00 H ATOM 392 N GLY A 217 20.984 9.093 14.701 1.00 37.27 N ATOM 393 CA GLY A 217 21.500 7.817 15.165 1.00 36.30 C ATOM 394 C GLY A 217 22.805 8.034 15.906 1.00 35.37 C ATOM 395 O GLY A 217 23.103 7.358 16.895 1.00 35.54 O ATOM 396 H GLY A 217 20.903 9.270 13.679 1.00 0.00 H ATOM 397 N ASP A 218 23.600 8.978 15.423 1.00 35.73 N ATOM 398 CA ASP A 218 24.860 9.293 16.085 1.00 38.38 C ATOM 399 C ASP A 218 24.555 9.917 17.440 1.00 38.07 C ATOM 400 O ASP A 218 25.209 9.594 18.427 1.00 39.67 O ATOM 401 CB ASP A 218 25.674 10.294 15.272 1.00 39.87 C ATOM 402 CG ASP A 218 26.494 9.648 14.165 1.00 41.37 C ATOM 403 OD1 ASP A 218 26.138 8.561 13.662 1.00 42.77 O ATOM 404 OD2 ASP A 218 27.502 10.258 13.770 1.00 43.13 O ATOM 405 H ASP A 218 23.323 9.498 14.566 1.00 0.00 H ATOM 406 N GLY A 219 23.582 10.825 17.468 1.00 38.33 N ATOM 407 CA GLY A 219 23.199 11.476 18.706 1.00 38.32 C ATOM 408 C GLY A 219 22.774 10.470 19.748 1.00 38.15 C ATOM 409 O GLY A 219 23.221 10.500 20.887 1.00 38.67 O ATOM 410 H GLY A 219 23.088 11.072 16.587 1.00 0.00 H ATOM 411 N VAL A 220 21.916 9.552 19.323 1.00 38.37 N ATOM 412 CA VAL A 220 21.401 8.523 20.203 1.00 37.37 C ATOM 413 C VAL A 220 22.547 7.688 20.775 1.00 38.06 C ATOM 414 O VAL A 220 22.569 7.405 21.965 1.00 37.88 O ATOM 415 CB VAL A 220 20.380 7.674 19.459 1.00 34.51 C ATOM 416 CG1 VAL A 220 19.814 6.598 20.340 1.00 35.97 C ATOM 417 CG2 VAL A 220 19.295 8.581 18.972 1.00 36.97 C ATOM 418 H VAL A 220 21.605 9.572 18.331 1.00 0.00 H ATOM 419 N GLN A 221 23.499 7.278 19.948 1.00 37.10 N ATOM 420 CA GLN A 221 24.634 6.484 20.454 1.00 38.19 C ATOM 421 C GLN A 221 25.495 7.257 21.451 1.00 39.34 C ATOM 422 O GLN A 221 26.072 6.690 22.377 1.00 39.19 O ATOM 423 CB GLN A 221 25.538 6.038 19.307 1.00 34.84 C ATOM 424 CG GLN A 221 25.029 4.848 18.541 1.00 37.18 C ATOM 425 CD GLN A 221 25.960 4.440 17.433 1.00 37.36 C ATOM 426 OE1 GLN A 221 26.972 3.811 17.671 1.00 38.78 O ATOM 427 NE2 GLN A 221 25.623 4.810 16.207 1.00 41.40 N ATOM 428 HE22 GLN A 221 24.747 5.348 16.048 1.00 0.00 H ATOM 429 HE21 GLN A 221 26.234 4.563 15.403 1.00 0.00 H ATOM 430 H GLN A 221 23.445 7.518 18.937 1.00 0.00 H ATOM 431 N ARG A 222 25.604 8.555 21.221 1.00 39.81 N ATOM 432 CA ARG A 222 26.396 9.403 22.071 1.00 41.73 C ATOM 433 C ARG A 222 25.735 9.642 23.427 1.00 41.97 C ATOM 434 O ARG A 222 26.292 9.250 24.442 1.00 46.31 O ATOM 435 CB ARG A 222 26.650 10.693 21.326 1.00 43.41 C ATOM 436 CG ARG A 222 27.740 11.546 21.898 1.00 45.80 C ATOM 437 CD ARG A 222 28.211 12.570 20.853 1.00 49.61 C ATOM 438 NE ARG A 222 27.097 13.145 20.085 1.00 50.31 N ATOM 439 CZ ARG A 222 27.092 13.228 18.755 1.00 52.39 C ATOM 440 NH1 ARG A 222 28.147 12.787 18.083 1.00 55.72 N ATOM 441 NH2 ARG A 222 26.038 13.699 18.086 1.00 52.04 N ATOM 442 HE ARG A 222 26.272 13.505 20.606 1.00 0.00 H ATOM 443 HH12 ARG A 222 28.163 12.843 17.045 1.00 0.00 H ATOM 444 HH11 ARG A 222 28.959 12.385 18.594 1.00 0.00 H ATOM 445 HH22 ARG A 222 26.063 13.752 17.048 1.00 0.00 H ATOM 446 HH21 ARG A 222 25.192 14.013 18.603 1.00 0.00 H ATOM 447 H ARG A 222 25.106 8.971 20.408 1.00 0.00 H ATOM 448 N ASN A 223 24.552 10.253 23.428 1.00 39.98 N ATOM 449 CA ASN A 223 23.766 10.553 24.622 1.00 36.75 C ATOM 450 C ASN A 223 23.310 9.307 25.371 1.00 36.05 C ATOM 451 O ASN A 223 22.924 9.405 26.518 1.00 36.72 O ATOM 452 CB ASN A 223 22.504 11.329 24.237 1.00 35.73 C ATOM 453 CG ASN A 223 22.817 12.540 23.438 1.00 36.54 C ATOM 454 OD1 ASN A 223 23.932 13.051 23.514 1.00 37.80 O ATOM 455 ND2 ASN A 223 21.855 13.014 22.651 1.00 38.87 N ATOM 456 HD22 ASN A 223 20.928 12.544 22.623 1.00 0.00 H ATOM 457 HD21 ASN A 223 22.030 13.854 22.064 1.00 0.00 H ATOM 458 H ASN A 223 24.158 10.538 22.509 1.00 0.00 H ATOM 459 N HIS A 224 23.312 8.146 24.721 1.00 35.93 N ATOM 460 CA HIS A 224 22.871 6.900 25.367 1.00 33.35 C ATOM 461 C HIS A 224 23.995 5.867 25.497 1.00 33.42 C ATOM 462 O HIS A 224 23.759 4.707 25.823 1.00 31.84 O ATOM 463 CB HIS A 224 21.725 6.262 24.587 1.00 35.00 C ATOM 464 CG HIS A 224 20.456 7.074 24.582 1.00 38.02 C ATOM 465 ND1 HIS A 224 19.514 6.966 25.584 1.00 40.38 N ATOM 466 CD2 HIS A 224 20.008 8.013 23.730 1.00 38.72 C ATOM 467 CE1 HIS A 224 18.533 7.818 25.335 1.00 38.05 C ATOM 468 NE2 HIS A 224 18.799 8.465 24.227 1.00 39.30 N ATOM 469 H HIS A 224 23.633 8.119 23.732 1.00 0.00 H ATOM 470 N GLU A 225 25.228 6.312 25.307 1.00 34.53 N ATOM 471 CA GLU A 225 26.398 5.449 25.361 1.00 36.96 C ATOM 472 C GLU A 225 26.581 4.460 26.510 1.00 36.92 C ATOM 473 O GLU A 225 26.999 3.323 26.270 1.00 34.88 O ATOM 474 CB GLU A 225 27.643 6.297 25.297 1.00 39.60 C ATOM 475 CG GLU A 225 28.844 5.468 25.007 1.00 44.17 C ATOM 476 CD GLU A 225 30.085 6.284 25.083 1.00 48.78 C ATOM 477 OE1 GLU A 225 30.085 7.393 24.513 1.00 51.37 O ATOM 478 OE2 GLU A 225 31.060 5.823 25.709 1.00 51.53 O ATOM 479 H GLU A 225 25.366 7.324 25.110 1.00 0.00 H ATOM 480 N THR A 226 26.315 4.886 27.747 1.00 37.06 N ATOM 481 CA THR A 226 26.498 3.988 28.879 1.00 37.63 C ATOM 482 C THR A 226 25.467 2.891 28.875 1.00 34.60 C ATOM 483 O THR A 226 25.794 1.773 29.215 1.00 38.14 O ATOM 484 CB THR A 226 26.523 4.736 30.276 1.00 41.50 C ATOM 485 OG1 THR A 226 25.401 4.360 31.094 1.00 44.47 O ATOM 486 CG2 THR A 226 26.537 6.207 30.077 1.00 43.13 C ATOM 487 HG1 THR A 226 25.446 4.843 31.957 1.00 0.00 H ATOM 488 H THR A 226 25.978 5.857 27.902 1.00 0.00 H ATOM 489 N ALA A 227 24.238 3.202 28.466 1.00 33.25 N ATOM 490 CA ALA A 227 23.192 2.187 28.357 1.00 30.47 C ATOM 491 C ALA A 227 23.528 1.224 27.196 1.00 29.82 C ATOM 492 O ALA A 227 23.253 0.040 27.286 1.00 29.58 O ATOM 493 CB ALA A 227 21.820 2.850 28.139 1.00 29.83 C ATOM 494 H ALA A 227 24.018 4.188 28.219 1.00 0.00 H ATOM 495 N PHE A 228 24.128 1.736 26.123 1.00 31.46 N ATOM 496 CA PHE A 228 24.510 0.912 24.975 1.00 31.82 C ATOM 497 C PHE A 228 25.649 0.007 25.387 1.00 31.67 C ATOM 498 O PHE A 228 25.691 -1.162 25.027 1.00 29.86 O ATOM 499 CB PHE A 228 24.959 1.792 23.785 1.00 26.10 C ATOM 500 CG PHE A 228 23.833 2.287 22.936 1.00 25.50 C ATOM 501 CD1 PHE A 228 22.569 2.471 23.484 1.00 27.49 C ATOM 502 CD2 PHE A 228 24.019 2.547 21.576 1.00 25.85 C ATOM 503 CE1 PHE A 228 21.502 2.898 22.700 1.00 26.29 C ATOM 504 CE2 PHE A 228 22.950 2.981 20.769 1.00 27.56 C ATOM 505 CZ PHE A 228 21.689 3.154 21.335 1.00 25.63 C ATOM 506 H PHE A 228 24.332 2.756 26.100 1.00 0.00 H ATOM 507 N GLN A 229 26.585 0.596 26.127 1.00 36.94 N ATOM 508 CA GLN A 229 27.752 -0.104 26.646 1.00 39.17 C ATOM 509 C GLN A 229 27.262 -1.318 27.419 1.00 38.77 C ATOM 510 O GLN A 229 27.609 -2.451 27.108 1.00 38.43 O ATOM 511 CB GLN A 229 28.506 0.809 27.598 1.00 42.75 C ATOM 512 CG GLN A 229 29.732 1.499 27.048 1.00 49.44 C ATOM 513 CD GLN A 229 30.228 2.560 28.010 1.00 54.29 C ATOM 514 OE1 GLN A 229 29.603 2.817 29.043 1.00 56.54 O ATOM 515 NE2 GLN A 229 31.358 3.190 27.676 1.00 59.06 N ATOM 516 HE22 GLN A 229 31.852 2.941 26.795 1.00 0.00 H ATOM 517 HE21 GLN A 229 31.744 3.930 28.297 1.00 0.00 H ATOM 518 H GLN A 229 26.478 1.607 26.346 1.00 0.00 H ATOM 519 N GLY A 230 26.425 -1.047 28.417 1.00 39.91 N ATOM 520 CA GLY A 230 25.879 -2.087 29.269 1.00 37.48 C ATOM 521 C GLY A 230 25.060 -3.167 28.587 1.00 38.49 C ATOM 522 O GLY A 230 25.092 -4.339 28.999 1.00 36.82 O ATOM 523 H GLY A 230 26.153 -0.058 28.592 1.00 0.00 H ATOM 524 N MET A 231 24.312 -2.785 27.553 1.00 35.51 N ATOM 525 CA MET A 231 23.499 -3.736 26.818 1.00 33.40 C ATOM 526 C MET A 231 24.407 -4.651 26.020 1.00 31.59 C ATOM 527 O MET A 231 24.241 -5.865 26.036 1.00 28.21 O ATOM 528 CB MET A 231 22.541 -3.006 25.879 1.00 36.18 C ATOM 529 CG MET A 231 21.634 -3.919 25.102 1.00 39.79 C ATOM 530 SD MET A 231 20.520 -4.708 26.197 1.00 49.71 S ATOM 531 CE MET A 231 19.414 -5.533 25.045 1.00 48.78 C ATOM 532 H MET A 231 24.311 -1.785 27.267 1.00 0.00 H ATOM 533 N LEU A 232 25.347 -4.059 25.295 1.00 32.83 N ATOM 534 CA LEU A 232 26.319 -4.824 24.506 1.00 32.84 C ATOM 535 C LEU A 232 26.996 -5.828 25.425 1.00 31.88 C ATOM 536 O LEU A 232 27.225 -6.977 25.072 1.00 30.67 O ATOM 537 CB LEU A 232 27.392 -3.895 23.908 1.00 30.44 C ATOM 538 CG LEU A 232 28.552 -4.542 23.153 1.00 32.98 C ATOM 539 CD1 LEU A 232 28.006 -5.370 21.989 1.00 29.35 C ATOM 540 CD2 LEU A 232 29.531 -3.446 22.676 1.00 29.34 C ATOM 541 H LEU A 232 25.396 -3.020 25.286 1.00 0.00 H ATOM 542 N ARG A 233 27.278 -5.372 26.631 1.00 33.32 N ATOM 543 CA ARG A 233 27.928 -6.213 27.601 1.00 37.46 C ATOM 544 C ARG A 233 26.987 -7.337 28.041 1.00 36.97 C ATOM 545 O ARG A 233 27.392 -8.499 28.111 1.00 36.72 O ATOM 546 CB ARG A 233 28.380 -5.353 28.783 1.00 39.75 C ATOM 547 CG ARG A 233 29.695 -5.753 29.385 1.00 46.47 C ATOM 548 CD ARG A 233 30.239 -4.602 30.238 1.00 50.38 C ATOM 549 NE ARG A 233 30.974 -5.104 31.402 1.00 56.88 N ATOM 550 CZ ARG A 233 30.408 -5.604 32.500 1.00 58.34 C ATOM 551 NH1 ARG A 233 29.085 -5.657 32.599 1.00 60.24 N ATOM 552 NH2 ARG A 233 31.170 -6.071 33.490 1.00 59.63 N ATOM 553 HE ARG A 233 32.013 -5.067 31.369 1.00 0.00 H ATOM 554 HH12 ARG A 233 28.643 -6.047 33.456 1.00 0.00 H ATOM 555 HH11 ARG A 233 28.491 -5.308 31.820 1.00 0.00 H ATOM 556 HH22 ARG A 233 30.728 -6.461 34.347 1.00 0.00 H ATOM 557 HH21 ARG A 233 32.206 -6.045 33.405 1.00 0.00 H ATOM 558 H ARG A 233 27.028 -4.394 26.883 1.00 0.00 H ATOM 559 N LYS A 234 25.741 -6.981 28.349 1.00 34.89 N ATOM 560 CA LYS A 234 24.743 -7.977 28.747 1.00 34.14 C ATOM 561 C LYS A 234 24.639 -9.028 27.665 1.00 34.11 C ATOM 562 O LYS A 234 24.490 -10.213 27.942 1.00 35.34 O ATOM 563 CB LYS A 234 23.367 -7.356 28.920 1.00 37.00 C ATOM 564 CG LYS A 234 22.885 -7.315 30.337 1.00 39.84 C ATOM 565 CD LYS A 234 21.436 -6.944 30.379 1.00 42.12 C ATOM 566 CE LYS A 234 21.208 -6.008 31.523 1.00 42.21 C ATOM 567 NZ LYS A 234 21.963 -4.753 31.289 1.00 47.63 N ATOM 568 HZ1 LYS A 234 22.977 -4.969 31.213 1.00 0.00 H ATOM 569 HZ2 LYS A 234 21.634 -4.311 30.407 1.00 0.00 H ATOM 570 HZ3 LYS A 234 21.805 -4.101 32.084 1.00 0.00 H ATOM 571 H LYS A 234 25.472 -5.977 28.306 1.00 0.00 H ATOM 572 N LEU A 235 24.716 -8.585 26.421 1.00 34.91 N ATOM 573 CA LEU A 235 24.634 -9.493 25.292 1.00 34.91 C ATOM 574 C LEU A 235 25.807 -10.441 25.114 1.00 38.68 C ATOM 575 O LEU A 235 25.609 -11.572 24.682 1.00 40.02 O ATOM 576 CB LEU A 235 24.405 -8.711 23.998 1.00 33.97 C ATOM 577 CG LEU A 235 22.918 -8.388 23.830 1.00 36.09 C ATOM 578 CD1 LEU A 235 22.715 -7.553 22.582 1.00 33.15 C ATOM 579 CD2 LEU A 235 22.099 -9.701 23.807 1.00 34.77 C ATOM 580 H LEU A 235 24.838 -7.567 26.249 1.00 0.00 H ATOM 581 N ASP A 236 27.012 -10.035 25.434 1.00 41.38 N ATOM 582 CA ASP A 236 28.156 -10.916 25.336 1.00 43.61 C ATOM 583 C ASP A 236 28.385 -11.421 23.922 1.00 45.15 C ATOM 584 O ASP A 236 28.273 -12.584 23.683 1.00 47.18 O ATOM 585 CB ASP A 236 28.032 -12.073 26.336 1.00 43.35 C ATOM 586 CG ASP A 236 29.358 -12.791 26.611 1.00 46.85 C ATOM 587 OD1 ASP A 236 30.386 -12.139 26.804 1.00 48.86 O ATOM 588 OD2 ASP A 236 29.373 -14.028 26.670 1.00 45.73 O ATOM 589 H ASP A 236 27.149 -9.059 25.765 1.00 0.00 H ATOM 590 N ILE A 237 28.737 -10.554 22.986 1.00 47.72 N ATOM 591 CA ILE A 237 28.963 -11.011 21.630 1.00 49.74 C ATOM 592 C ILE A 237 30.415 -11.428 21.455 1.00 51.42 C ATOM 593 O ILE A 237 31.370 -10.644 21.614 1.00 51.99 O ATOM 594 CB ILE A 237 28.362 -10.006 20.669 1.00 49.68 C ATOM 595 CG1 ILE A 237 26.877 -10.126 20.982 1.00 49.02 C ATOM 596 CG2 ILE A 237 28.674 -10.333 19.172 1.00 50.65 C ATOM 597 CD1 ILE A 237 25.852 -9.200 20.410 1.00 52.11 C ATOM 598 H ILE A 237 28.851 -9.548 23.223 1.00 0.00 H ATOM 599 N LYS A 238 30.556 -12.729 21.187 1.00 53.15 N ATOM 600 CA LYS A 238 31.855 -13.377 21.026 1.00 55.88 C ATOM 601 C LYS A 238 32.042 -13.937 19.623 1.00 57.51 C ATOM 602 O LYS A 238 33.156 -13.972 19.124 1.00 58.09 O ATOM 603 CB LYS A 238 31.996 -14.533 22.022 1.00 55.43 C ATOM 604 CG LYS A 238 31.907 -14.158 23.510 1.00 54.66 C ATOM 605 CD LYS A 238 31.983 -15.422 24.369 1.00 56.03 C ATOM 606 CE LYS A 238 30.838 -16.382 24.083 1.00 55.72 C ATOM 607 NZ LYS A 238 31.318 -17.776 24.320 1.00 59.32 N ATOM 608 HZ1 LYS A 238 32.118 -17.978 23.687 1.00 0.00 H ATOM 609 HZ2 LYS A 238 31.624 -17.872 25.309 1.00 0.00 H ATOM 610 HZ3 LYS A 238 30.545 -18.445 24.128 1.00 0.00 H ATOM 611 H LYS A 238 29.699 -13.309 21.088 1.00 0.00 H ATOM 612 N ASN A 239 30.955 -14.383 19.004 1.00 60.77 N ATOM 613 CA ASN A 239 31.043 -14.964 17.680 1.00 64.87 C ATOM 614 C ASN A 239 29.768 -14.872 16.859 1.00 67.04 C ATOM 615 O ASN A 239 28.814 -14.163 17.204 1.00 67.95 O ATOM 616 CB ASN A 239 31.430 -16.443 17.786 1.00 65.70 C ATOM 617 CG ASN A 239 30.534 -17.194 18.726 1.00 67.49 C ATOM 618 OD1 ASN A 239 31.001 -17.951 19.577 1.00 70.12 O ATOM 619 ND2 ASN A 239 29.225 -16.979 18.591 1.00 66.50 N ATOM 620 HD22 ASN A 239 28.878 -16.330 17.856 1.00 0.00 H ATOM 621 HD21 ASN A 239 28.551 -17.460 19.220 1.00 0.00 H ATOM 622 H ASN A 239 30.030 -14.314 19.475 1.00 0.00 H ATOM 623 N GLU A 240 29.761 -15.656 15.785 1.00 68.48 N ATOM 624 CA GLU A 240 28.648 -15.707 14.858 1.00 70.73 C ATOM 625 C GLU A 240 27.361 -16.269 15.411 1.00 70.77 C ATOM 626 O GLU A 240 26.293 -15.814 15.023 1.00 70.72 O ATOM 627 CB GLU A 240 29.008 -16.519 13.611 1.00 73.66 C ATOM 628 CG GLU A 240 28.999 -18.051 13.817 1.00 77.62 C ATOM 629 CD GLU A 240 28.918 -18.807 12.491 1.00 80.28 C ATOM 630 OE1 GLU A 240 29.695 -18.471 11.570 1.00 80.94 O ATOM 631 OE2 GLU A 240 28.080 -19.735 12.368 1.00 82.48 O ATOM 632 H GLU A 240 30.589 -16.258 15.602 1.00 0.00 H ATOM 633 N ASP A 241 27.422 -17.263 16.291 1.00 71.65 N ATOM 634 CA ASP A 241 26.171 -17.817 16.794 1.00 72.23 C ATOM 635 C ASP A 241 25.688 -16.998 17.988 1.00 71.50 C ATOM 636 O ASP A 241 24.914 -17.455 18.816 1.00 72.82 O ATOM 637 CB ASP A 241 26.341 -19.313 17.104 1.00 73.00 C ATOM 638 CG ASP A 241 26.413 -20.172 15.826 1.00 74.61 C ATOM 639 OD1 ASP A 241 25.426 -20.876 15.503 1.00 75.26 O ATOM 640 OD2 ASP A 241 27.460 -20.135 15.137 1.00 74.21 O ATOM 641 H ASP A 241 28.338 -17.636 16.612 1.00 0.00 H ATOM 642 N ASP A 242 26.153 -15.757 18.054 1.00 70.95 N ATOM 643 CA ASP A 242 25.742 -14.853 19.107 1.00 69.14 C ATOM 644 C ASP A 242 24.794 -13.841 18.446 1.00 67.08 C ATOM 645 O ASP A 242 23.811 -13.389 19.069 1.00 67.81 O ATOM 646 CB ASP A 242 26.971 -14.169 19.761 1.00 70.59 C ATOM 647 CG ASP A 242 27.731 -15.096 20.731 1.00 71.42 C ATOM 648 OD1 ASP A 242 27.084 -15.872 21.454 1.00 72.65 O ATOM 649 OD2 ASP A 242 28.976 -15.039 20.798 1.00 73.34 O ATOM 650 H ASP A 242 26.827 -15.427 17.334 1.00 0.00 H ATOM 651 N VAL A 243 25.073 -13.511 17.178 1.00 64.59 N ATOM 652 CA VAL A 243 24.254 -12.561 16.404 1.00 62.51 C ATOM 653 C VAL A 243 22.923 -13.184 16.027 1.00 62.06 C ATOM 654 O VAL A 243 21.895 -12.535 16.082 1.00 62.82 O ATOM 655 CB VAL A 243 24.917 -12.164 15.092 1.00 60.72 C ATOM 656 CG1 VAL A 243 24.003 -11.182 14.380 1.00 61.78 C ATOM 657 CG2 VAL A 243 26.283 -11.552 15.331 1.00 60.00 C ATOM 658 H VAL A 243 25.901 -13.943 16.721 1.00 0.00 H ATOM 659 N LYS A 244 22.962 -14.437 15.601 1.00 61.76 N ATOM 660 CA LYS A 244 21.754 -15.192 15.264 1.00 61.34 C ATOM 661 C LYS A 244 20.768 -15.157 16.458 1.00 58.82 C ATOM 662 O LYS A 244 19.608 -14.758 16.369 1.00 58.27 O ATOM 663 CB LYS A 244 22.165 -16.650 15.037 1.00 64.54 C ATOM 664 CG LYS A 244 23.299 -16.868 14.037 1.00 64.48 C ATOM 665 CD LYS A 244 23.109 -18.273 13.515 1.00 66.45 C ATOM 666 CE LYS A 244 23.244 -19.345 14.619 1.00 66.57 C ATOM 667 NZ LYS A 244 22.592 -20.636 14.184 1.00 67.82 N ATOM 668 HZ1 LYS A 244 21.583 -20.468 13.997 1.00 0.00 H ATOM 669 HZ2 LYS A 244 23.053 -20.981 13.318 1.00 0.00 H ATOM 670 HZ3 LYS A 244 22.692 -21.345 14.938 1.00 0.00 H ATOM 671 H LYS A 244 23.887 -14.903 15.502 1.00 0.00 H ATOM 672 N SER A 245 21.250 -15.694 17.569 1.00 58.07 N ATOM 673 CA SER A 245 20.448 -15.749 18.808 1.00 58.11 C ATOM 674 C SER A 245 19.823 -14.384 19.169 1.00 56.31 C ATOM 675 O SER A 245 18.697 -14.268 19.690 1.00 57.18 O ATOM 676 CB SER A 245 21.317 -16.213 19.945 1.00 59.36 C ATOM 677 OG SER A 245 22.240 -15.175 20.194 1.00 64.18 O ATOM 678 HG SER A 245 22.779 -15.012 19.380 1.00 0.00 H ATOM 679 H SER A 245 22.214 -16.085 17.569 1.00 0.00 H ATOM 680 N LEU A 246 20.613 -13.360 18.864 1.00 54.47 N ATOM 681 CA LEU A 246 20.239 -11.960 19.045 1.00 52.29 C ATOM 682 C LEU A 246 18.802 -11.614 18.770 1.00 51.72 C ATOM 683 O LEU A 246 18.219 -10.906 19.572 1.00 51.94 O ATOM 684 CB LEU A 246 21.110 -11.094 18.160 1.00 51.96 C ATOM 685 CG LEU A 246 21.430 -9.663 18.546 1.00 49.48 C ATOM 686 CD1 LEU A 246 22.072 -9.673 19.923 1.00 48.71 C ATOM 687 CD2 LEU A 246 22.386 -9.046 17.526 1.00 51.46 C ATOM 688 H LEU A 246 21.554 -13.568 18.473 1.00 0.00 H ATOM 689 N SER A 247 18.266 -12.065 17.629 1.00 50.91 N ATOM 690 CA SER A 247 16.887 -11.763 17.182 1.00 49.69 C ATOM 691 C SER A 247 15.811 -12.017 18.197 1.00 49.65 C ATOM 692 O SER A 247 14.823 -11.323 18.297 1.00 48.01 O ATOM 693 CB SER A 247 16.590 -12.526 15.896 1.00 49.93 C ATOM 694 OG SER A 247 16.031 -11.619 14.929 1.00 52.08 O ATOM 695 HG SER A 247 15.836 -12.110 14.092 1.00 0.00 H ATOM 696 H SER A 247 18.856 -12.665 17.018 1.00 0.00 H ATOM 697 N ARG A 248 16.042 -13.062 18.988 1.00 50.75 N ATOM 698 CA ARG A 248 15.171 -13.416 20.097 1.00 50.94 C ATOM 699 C ARG A 248 15.042 -12.264 21.045 1.00 48.80 C ATOM 700 O ARG A 248 13.959 -11.825 21.326 1.00 49.34 O ATOM 701 CB ARG A 248 15.743 -14.568 20.886 1.00 50.88 C ATOM 702 CG ARG A 248 14.810 -15.037 21.952 1.00 53.40 C ATOM 703 CD ARG A 248 13.757 -15.864 21.275 1.00 54.21 C ATOM 704 NE ARG A 248 14.326 -16.463 20.089 1.00 56.41 N ATOM 705 CZ ARG A 248 14.972 -17.614 20.071 1.00 60.25 C ATOM 706 NH1 ARG A 248 15.117 -18.327 21.157 1.00 63.37 N ATOM 707 NH2 ARG A 248 15.470 -18.050 18.946 1.00 61.50 N ATOM 708 HE ARG A 248 14.219 -15.953 19.189 1.00 0.00 H ATOM 709 HH12 ARG A 248 15.630 -19.231 21.121 1.00 0.00 H ATOM 710 HH11 ARG A 248 14.720 -17.990 22.057 1.00 0.00 H ATOM 711 HH22 ARG A 248 15.981 -18.955 18.920 1.00 0.00 H ATOM 712 HH21 ARG A 248 15.356 -17.492 18.076 1.00 0.00 H ATOM 713 H ARG A 248 16.880 -13.650 18.805 1.00 0.00 H ATOM 714 N VAL A 249 16.184 -11.812 21.535 1.00 47.15 N ATOM 715 CA VAL A 249 16.345 -10.792 22.581 1.00 46.21 C ATOM 716 C VAL A 249 15.985 -9.425 22.025 1.00 44.71 C ATOM 717 O VAL A 249 15.550 -8.498 22.729 1.00 44.97 O ATOM 718 CB VAL A 249 17.830 -10.785 23.176 1.00 47.65 C ATOM 719 CG1 VAL A 249 17.954 -9.708 24.288 1.00 48.29 C ATOM 720 CG2 VAL A 249 18.174 -12.163 23.784 1.00 45.18 C ATOM 721 H VAL A 249 17.056 -12.219 21.141 1.00 0.00 H ATOM 722 N MET A 250 16.158 -9.318 20.725 1.00 44.05 N ATOM 723 CA MET A 250 15.889 -8.069 20.032 1.00 44.68 C ATOM 724 C MET A 250 14.440 -7.778 19.676 1.00 44.68 C ATOM 725 O MET A 250 14.008 -6.632 19.713 1.00 41.94 O ATOM 726 CB MET A 250 16.708 -8.043 18.767 1.00 44.68 C ATOM 727 CG MET A 250 16.638 -6.734 18.013 1.00 48.69 C ATOM 728 SD MET A 250 16.798 -6.982 16.202 1.00 52.92 S ATOM 729 CE MET A 250 18.459 -7.041 15.937 1.00 52.19 C ATOM 730 H MET A 250 16.493 -10.141 20.184 1.00 0.00 H ATOM 731 N ILE A 251 13.719 -8.831 19.312 1.00 46.05 N ATOM 732 CA ILE A 251 12.321 -8.714 18.968 1.00 46.72 C ATOM 733 C ILE A 251 11.614 -8.471 20.300 1.00 45.51 C ATOM 734 O ILE A 251 10.600 -7.754 20.413 1.00 44.78 O ATOM 735 CB ILE A 251 11.821 -10.040 18.305 1.00 48.25 C ATOM 736 CG1 ILE A 251 12.465 -10.168 16.912 1.00 51.46 C ATOM 737 CG2 ILE A 251 10.297 -10.111 18.309 1.00 47.88 C ATOM 738 CD1 ILE A 251 11.503 -10.264 15.774 1.00 55.00 C ATOM 739 H ILE A 251 14.173 -9.766 19.273 1.00 0.00 H ATOM 740 N HIS A 252 12.184 -9.083 21.323 1.00 43.90 N ATOM 741 CA HIS A 252 11.612 -8.958 22.641 1.00 44.51 C ATOM 742 C HIS A 252 11.484 -7.476 22.977 1.00 45.29 C ATOM 743 O HIS A 252 10.396 -7.019 23.334 1.00 46.35 O ATOM 744 CB HIS A 252 12.494 -9.654 23.676 1.00 45.10 C ATOM 745 CG HIS A 252 12.142 -9.308 25.104 1.00 46.77 C ATOM 746 ND1 HIS A 252 10.924 -9.641 25.658 1.00 48.72 N ATOM 747 CD2 HIS A 252 12.827 -8.632 26.040 1.00 46.33 C ATOM 748 CE1 HIS A 252 10.887 -9.170 26.899 1.00 49.63 C ATOM 749 NE2 HIS A 252 12.014 -8.561 27.160 1.00 47.77 N ATOM 750 H HIS A 252 13.042 -9.653 21.178 1.00 0.00 H ATOM 751 N VAL A 253 12.587 -6.741 22.789 1.00 44.34 N ATOM 752 CA VAL A 253 12.671 -5.318 23.117 1.00 45.29 C ATOM 753 C VAL A 253 12.098 -4.265 22.187 1.00 46.21 C ATOM 754 O VAL A 253 11.555 -3.281 22.678 1.00 49.51 O ATOM 755 CB VAL A 253 14.102 -4.940 23.426 1.00 45.03 C ATOM 756 CG1 VAL A 253 14.147 -3.634 24.249 1.00 41.49 C ATOM 757 CG2 VAL A 253 14.735 -6.093 24.093 1.00 43.49 C ATOM 758 H VAL A 253 13.427 -7.206 22.389 1.00 0.00 H ATOM 759 N PHE A 254 12.243 -4.426 20.872 1.00 47.22 N ATOM 760 CA PHE A 254 11.671 -3.434 19.952 1.00 49.43 C ATOM 761 C PHE A 254 10.159 -3.622 19.919 1.00 50.25 C ATOM 762 O PHE A 254 9.417 -2.670 19.731 1.00 48.11 O ATOM 763 CB PHE A 254 12.221 -3.625 18.537 1.00 48.91 C ATOM 764 CG PHE A 254 11.612 -2.707 17.520 1.00 51.26 C ATOM 765 CD1 PHE A 254 11.768 -1.321 17.643 1.00 51.76 C ATOM 766 CD2 PHE A 254 10.877 -3.212 16.453 1.00 51.11 C ATOM 767 CE1 PHE A 254 11.204 -0.465 16.717 1.00 52.91 C ATOM 768 CE2 PHE A 254 10.313 -2.362 15.524 1.00 51.55 C ATOM 769 CZ PHE A 254 10.472 -0.987 15.652 1.00 50.05 C ATOM 770 H PHE A 254 12.758 -5.249 20.499 1.00 0.00 H ATOM 771 N SER A 255 9.727 -4.881 20.067 1.00 51.49 N ATOM 772 CA SER A 255 8.298 -5.260 20.044 1.00 55.10 C ATOM 773 C SER A 255 7.547 -4.916 21.294 1.00 56.88 C ATOM 774 O SER A 255 6.329 -4.856 21.242 1.00 57.60 O ATOM 775 CB SER A 255 8.130 -6.738 19.763 1.00 54.48 C ATOM 776 OG SER A 255 9.095 -7.104 18.813 1.00 58.62 O ATOM 777 HG SER A 255 9.998 -6.922 19.175 1.00 0.00 H ATOM 778 H SER A 255 10.434 -5.631 20.205 1.00 0.00 H ATOM 779 N ASP A 256 8.235 -4.715 22.418 1.00 58.25 N ATOM 780 CA ASP A 256 7.545 -4.303 23.645 1.00 60.08 C ATOM 781 C ASP A 256 7.490 -2.763 23.533 1.00 61.93 C ATOM 782 O ASP A 256 8.530 -2.111 23.461 1.00 64.77 O ATOM 783 CB ASP A 256 8.380 -4.717 24.845 1.00 61.19 C ATOM 784 CG ASP A 256 7.629 -4.613 26.145 1.00 62.20 C ATOM 785 OD1 ASP A 256 6.704 -5.422 26.360 1.00 62.72 O ATOM 786 OD2 ASP A 256 7.953 -3.712 26.947 1.00 63.87 O ATOM 787 H ASP A 256 9.266 -4.851 22.425 1.00 0.00 H ATOM 788 N GLY A 257 6.307 -2.163 23.457 1.00 62.46 N ATOM 789 CA GLY A 257 6.270 -0.710 23.334 1.00 60.89 C ATOM 790 C GLY A 257 5.409 -0.114 22.236 1.00 60.06 C ATOM 791 O GLY A 257 4.688 -0.811 21.517 1.00 59.60 O ATOM 792 H GLY A 257 5.427 -2.717 23.485 1.00 0.00 H ATOM 793 N VAL A 258 5.508 1.207 22.117 1.00 59.27 N ATOM 794 CA VAL A 258 4.749 1.979 21.139 1.00 57.77 C ATOM 795 C VAL A 258 5.550 2.237 19.892 1.00 56.75 C ATOM 796 O VAL A 258 6.777 2.256 19.918 1.00 56.41 O ATOM 797 CB VAL A 258 4.328 3.343 21.705 1.00 58.90 C ATOM 798 CG1 VAL A 258 3.378 3.131 22.848 1.00 57.17 C ATOM 799 CG2 VAL A 258 5.580 4.136 22.187 1.00 59.20 C ATOM 800 H VAL A 258 6.158 1.714 22.752 1.00 0.00 H ATOM 801 N THR A 259 4.831 2.453 18.800 1.00 54.85 N ATOM 802 CA THR A 259 5.447 2.726 17.523 1.00 52.18 C ATOM 803 C THR A 259 5.619 4.227 17.302 1.00 49.99 C ATOM 804 O THR A 259 4.655 5.002 17.309 1.00 49.14 O ATOM 805 CB THR A 259 4.588 2.156 16.389 1.00 52.94 C ATOM 806 OG1 THR A 259 4.055 0.895 16.808 1.00 51.61 O ATOM 807 CG2 THR A 259 5.420 1.973 15.111 1.00 52.00 C ATOM 808 HG1 THR A 259 3.497 0.516 16.083 1.00 0.00 H ATOM 809 H THR A 259 3.793 2.425 18.865 1.00 0.00 H ATOM 810 N ASN A 260 6.870 4.618 17.119 1.00 46.98 N ATOM 811 CA ASN A 260 7.212 5.999 16.828 1.00 45.92 C ATOM 812 C ASN A 260 8.620 5.942 16.264 1.00 43.44 C ATOM 813 O ASN A 260 9.348 4.995 16.531 1.00 41.48 O ATOM 814 CB ASN A 260 7.128 6.886 18.085 1.00 44.28 C ATOM 815 CG ASN A 260 8.019 6.411 19.206 1.00 44.34 C ATOM 816 OD1 ASN A 260 9.197 6.166 18.999 1.00 46.80 O ATOM 817 ND2 ASN A 260 7.461 6.303 20.411 1.00 45.34 N ATOM 818 HD22 ASN A 260 6.453 6.523 20.539 1.00 0.00 H ATOM 819 HD21 ASN A 260 8.034 5.999 21.224 1.00 0.00 H ATOM 820 H ASN A 260 7.632 3.914 17.186 1.00 0.00 H ATOM 821 N TRP A 261 8.974 6.919 15.441 1.00 41.51 N ATOM 822 CA TRP A 261 10.292 6.964 14.832 1.00 43.56 C ATOM 823 C TRP A 261 11.450 7.041 15.832 1.00 43.13 C ATOM 824 O TRP A 261 12.592 6.788 15.467 1.00 42.95 O ATOM 825 CB TRP A 261 10.382 8.143 13.870 1.00 43.99 C ATOM 826 CG TRP A 261 9.680 7.917 12.581 1.00 45.32 C ATOM 827 CD1 TRP A 261 8.638 8.648 12.070 1.00 46.59 C ATOM 828 CD2 TRP A 261 9.992 6.927 11.594 1.00 46.66 C ATOM 829 NE1 TRP A 261 8.295 8.176 10.831 1.00 48.08 N ATOM 830 CE2 TRP A 261 9.104 7.121 10.513 1.00 44.64 C ATOM 831 CE3 TRP A 261 10.933 5.893 11.520 1.00 48.63 C ATOM 832 CZ2 TRP A 261 9.134 6.334 9.368 1.00 47.14 C ATOM 833 CZ3 TRP A 261 10.962 5.112 10.382 1.00 49.21 C ATOM 834 CH2 TRP A 261 10.064 5.336 9.317 1.00 48.72 C ATOM 835 HE1 TRP A 261 7.539 8.559 10.228 1.00 0.00 H ATOM 836 H TRP A 261 8.290 7.673 15.226 1.00 0.00 H ATOM 837 N GLY A 262 11.157 7.404 17.077 1.00 42.90 N ATOM 838 CA GLY A 262 12.198 7.470 18.094 1.00 42.25 C ATOM 839 C GLY A 262 12.691 6.081 18.515 1.00 42.59 C ATOM 840 O GLY A 262 13.885 5.869 18.737 1.00 40.47 O ATOM 841 H GLY A 262 10.176 7.643 17.327 1.00 0.00 H ATOM 842 N ARG A 263 11.768 5.130 18.631 1.00 41.74 N ATOM 843 CA ARG A 263 12.129 3.770 19.000 1.00 40.81 C ATOM 844 C ARG A 263 12.735 3.025 17.811 1.00 41.05 C ATOM 845 O ARG A 263 13.485 2.065 17.991 1.00 40.53 O ATOM 846 CB ARG A 263 10.911 3.019 19.569 1.00 40.48 C ATOM 847 CG ARG A 263 10.408 3.666 20.868 1.00 44.43 C ATOM 848 CD ARG A 263 9.507 2.799 21.770 1.00 45.76 C ATOM 849 NE ARG A 263 10.263 1.876 22.620 1.00 49.12 N ATOM 850 CZ ARG A 263 10.195 0.549 22.556 1.00 49.85 C ATOM 851 NH1 ARG A 263 9.392 -0.043 21.687 1.00 50.31 N ATOM 852 NH2 ARG A 263 10.963 -0.190 23.338 1.00 50.52 N ATOM 853 HE ARG A 263 10.902 2.290 23.328 1.00 0.00 H ATOM 854 HH12 ARG A 263 9.346 -1.081 21.645 1.00 0.00 H ATOM 855 HH11 ARG A 263 8.807 0.530 21.046 1.00 0.00 H ATOM 856 HH22 ARG A 263 10.910 -1.227 23.288 1.00 0.00 H ATOM 857 HH21 ARG A 263 11.620 0.266 24.003 1.00 0.00 H ATOM 858 H ARG A 263 10.770 5.363 18.455 1.00 0.00 H ATOM 859 N ILE A 264 12.439 3.483 16.597 1.00 38.97 N ATOM 860 CA ILE A 264 12.992 2.844 15.417 1.00 38.07 C ATOM 861 C ILE A 264 14.466 3.203 15.261 1.00 37.06 C ATOM 862 O ILE A 264 15.273 2.341 14.940 1.00 37.39 O ATOM 863 CB ILE A 264 12.216 3.247 14.124 1.00 38.56 C ATOM 864 CG1 ILE A 264 10.804 2.646 14.142 1.00 38.64 C ATOM 865 CG2 ILE A 264 12.954 2.776 12.900 1.00 35.36 C ATOM 866 CD1 ILE A 264 9.919 3.080 12.992 1.00 41.80 C ATOM 867 H ILE A 264 11.808 4.303 16.493 1.00 0.00 H ATOM 868 N VAL A 265 14.812 4.465 15.494 1.00 35.96 N ATOM 869 CA VAL A 265 16.201 4.894 15.374 1.00 36.11 C ATOM 870 C VAL A 265 17.057 4.345 16.503 1.00 36.36 C ATOM 871 O VAL A 265 18.227 4.105 16.299 1.00 34.75 O ATOM 872 CB VAL A 265 16.353 6.408 15.362 1.00 36.72 C ATOM 873 CG1 VAL A 265 15.771 6.941 14.082 1.00 39.17 C ATOM 874 CG2 VAL A 265 15.705 7.035 16.599 1.00 36.66 C ATOM 875 H VAL A 265 14.083 5.155 15.765 1.00 0.00 H ATOM 876 N THR A 266 16.484 4.137 17.685 1.00 36.59 N ATOM 877 CA THR A 266 17.256 3.569 18.779 1.00 37.50 C ATOM 878 C THR A 266 17.484 2.075 18.403 1.00 37.35 C ATOM 879 O THR A 266 18.557 1.500 18.679 1.00 39.57 O ATOM 880 CB THR A 266 16.511 3.738 20.165 1.00 37.59 C ATOM 881 OG1 THR A 266 16.455 5.126 20.503 1.00 42.09 O ATOM 882 CG2 THR A 266 17.259 3.068 21.281 1.00 37.80 C ATOM 883 HG1 THR A 266 15.962 5.616 19.798 1.00 0.00 H ATOM 884 H THR A 266 15.483 4.381 17.827 1.00 0.00 H ATOM 885 N LEU A 267 16.491 1.466 17.750 1.00 37.29 N ATOM 886 CA LEU A 267 16.610 0.082 17.305 1.00 35.69 C ATOM 887 C LEU A 267 17.787 -0.039 16.336 1.00 33.88 C ATOM 888 O LEU A 267 18.665 -0.891 16.499 1.00 33.28 O ATOM 889 CB LEU A 267 15.344 -0.384 16.552 1.00 34.77 C ATOM 890 CG LEU A 267 15.482 -1.691 15.787 1.00 35.17 C ATOM 891 CD1 LEU A 267 15.371 -2.843 16.752 1.00 35.31 C ATOM 892 CD2 LEU A 267 14.407 -1.767 14.725 1.00 37.10 C ATOM 893 H LEU A 267 15.614 1.990 17.555 1.00 0.00 H ATOM 894 N ILE A 268 17.775 0.824 15.323 1.00 33.23 N ATOM 895 CA ILE A 268 18.832 0.865 14.322 1.00 31.88 C ATOM 896 C ILE A 268 20.177 1.384 14.904 1.00 33.10 C ATOM 897 O ILE A 268 21.247 0.941 14.500 1.00 33.88 O ATOM 898 CB ILE A 268 18.404 1.762 13.117 1.00 32.57 C ATOM 899 CG1 ILE A 268 17.108 1.207 12.475 1.00 30.01 C ATOM 900 CG2 ILE A 268 19.545 1.858 12.086 1.00 27.05 C ATOM 901 CD1 ILE A 268 16.521 2.077 11.367 1.00 28.68 C ATOM 902 H ILE A 268 16.983 1.493 15.243 1.00 0.00 H ATOM 903 N SER A 269 20.099 2.315 15.853 1.00 33.03 N ATOM 904 CA SER A 269 21.274 2.918 16.475 1.00 31.38 C ATOM 905 C SER A 269 22.062 1.914 17.294 1.00 33.28 C ATOM 906 O SER A 269 23.286 1.875 17.226 1.00 31.89 O ATOM 907 CB SER A 269 20.875 4.098 17.360 1.00 32.51 C ATOM 908 OG SER A 269 20.544 5.236 16.583 1.00 36.69 O ATOM 909 HG SER A 269 19.784 5.018 15.987 1.00 0.00 H ATOM 910 H SER A 269 19.157 2.627 16.165 1.00 0.00 H ATOM 911 N PHE A 270 21.355 1.104 18.066 1.00 29.90 N ATOM 912 CA PHE A 270 22.037 0.095 18.838 1.00 27.36 C ATOM 913 C PHE A 270 22.604 -0.910 17.825 1.00 28.61 C ATOM 914 O PHE A 270 23.681 -1.469 18.030 1.00 30.23 O ATOM 915 CB PHE A 270 21.082 -0.589 19.824 1.00 27.32 C ATOM 916 CG PHE A 270 21.769 -1.566 20.730 1.00 25.05 C ATOM 917 CD1 PHE A 270 22.757 -1.127 21.626 1.00 26.22 C ATOM 918 CD2 PHE A 270 21.492 -2.930 20.650 1.00 23.12 C ATOM 919 CE1 PHE A 270 23.460 -2.030 22.424 1.00 23.17 C ATOM 920 CE2 PHE A 270 22.185 -3.839 21.437 1.00 25.16 C ATOM 921 CZ PHE A 270 23.182 -3.386 22.335 1.00 24.20 C ATOM 922 H PHE A 270 20.320 1.194 18.115 1.00 0.00 H ATOM 923 N GLY A 271 21.874 -1.138 16.731 1.00 28.22 N ATOM 924 CA GLY A 271 22.362 -2.046 15.702 1.00 26.70 C ATOM 925 C GLY A 271 23.726 -1.568 15.204 1.00 25.82 C ATOM 926 O GLY A 271 24.637 -2.354 14.978 1.00 24.28 O ATOM 927 H GLY A 271 20.955 -0.666 16.613 1.00 0.00 H ATOM 928 N ALA A 272 23.844 -0.257 15.030 1.00 26.09 N ATOM 929 CA ALA A 272 25.076 0.386 14.595 1.00 27.01 C ATOM 930 C ALA A 272 26.182 0.149 15.636 1.00 30.72 C ATOM 931 O ALA A 272 27.338 -0.059 15.283 1.00 31.83 O ATOM 932 CB ALA A 272 24.846 1.877 14.430 1.00 24.37 C ATOM 933 H ALA A 272 23.014 0.342 15.214 1.00 0.00 H ATOM 934 N PHE A 273 25.801 0.212 16.913 1.00 31.67 N ATOM 935 CA PHE A 273 26.710 0.004 18.023 1.00 33.01 C ATOM 936 C PHE A 273 27.229 -1.430 17.998 1.00 32.45 C ATOM 937 O PHE A 273 28.416 -1.655 18.187 1.00 31.43 O ATOM 938 CB PHE A 273 25.997 0.272 19.349 1.00 33.65 C ATOM 939 CG PHE A 273 26.927 0.576 20.475 1.00 32.17 C ATOM 940 CD1 PHE A 273 27.600 1.787 20.515 1.00 34.03 C ATOM 941 CD2 PHE A 273 27.153 -0.344 21.491 1.00 32.50 C ATOM 942 CE1 PHE A 273 28.491 2.095 21.559 1.00 33.69 C ATOM 943 CE2 PHE A 273 28.043 -0.047 22.542 1.00 34.25 C ATOM 944 CZ PHE A 273 28.712 1.179 22.569 1.00 31.66 C ATOM 945 H PHE A 273 24.804 0.420 17.122 1.00 0.00 H ATOM 946 N VAL A 274 26.331 -2.385 17.758 1.00 34.06 N ATOM 947 CA VAL A 274 26.704 -3.793 17.672 1.00 34.39 C ATOM 948 C VAL A 274 27.641 -3.998 16.487 1.00 34.55 C ATOM 949 O VAL A 274 28.644 -4.705 16.598 1.00 37.28 O ATOM 950 CB VAL A 274 25.446 -4.690 17.526 1.00 33.69 C ATOM 951 CG1 VAL A 274 25.832 -6.133 17.292 1.00 33.40 C ATOM 952 CG2 VAL A 274 24.605 -4.571 18.766 1.00 31.61 C ATOM 953 H VAL A 274 25.334 -2.119 17.628 1.00 0.00 H ATOM 954 N ALA A 275 27.331 -3.351 15.369 1.00 35.04 N ATOM 955 CA ALA A 275 28.151 -3.469 14.168 1.00 35.55 C ATOM 956 C ALA A 275 29.573 -3.004 14.462 1.00 33.85 C ATOM 957 O ALA A 275 30.535 -3.603 14.001 1.00 34.98 O ATOM 958 CB ALA A 275 27.539 -2.640 13.015 1.00 32.60 C ATOM 959 H ALA A 275 26.485 -2.747 15.349 1.00 0.00 H ATOM 960 N LYS A 276 29.692 -1.929 15.230 1.00 32.03 N ATOM 961 CA LYS A 276 31.000 -1.390 15.585 1.00 33.19 C ATOM 962 C LYS A 276 31.791 -2.437 16.354 1.00 33.62 C ATOM 963 O LYS A 276 32.980 -2.618 16.119 1.00 35.52 O ATOM 964 CB LYS A 276 30.860 -0.128 16.431 1.00 29.44 C ATOM 965 CG LYS A 276 30.808 1.127 15.623 1.00 32.22 C ATOM 966 CD LYS A 276 30.384 2.319 16.455 1.00 30.06 C ATOM 967 CE LYS A 276 30.353 3.557 15.591 1.00 30.84 C ATOM 968 NZ LYS A 276 30.004 4.804 16.305 1.00 35.10 N ATOM 969 HZ1 LYS A 276 29.058 4.708 16.726 1.00 0.00 H ATOM 970 HZ2 LYS A 276 30.702 4.979 17.056 1.00 0.00 H ATOM 971 HZ3 LYS A 276 30.007 5.599 15.634 1.00 0.00 H ATOM 972 H LYS A 276 28.835 -1.461 15.587 1.00 0.00 H ATOM 973 N HIS A 277 31.104 -3.127 17.255 1.00 32.60 N ATOM 974 CA HIS A 277 31.712 -4.170 18.039 1.00 31.91 C ATOM 975 C HIS A 277 32.097 -5.380 17.176 1.00 33.20 C ATOM 976 O HIS A 277 33.176 -5.933 17.321 1.00 32.87 O ATOM 977 CB HIS A 277 30.765 -4.589 19.156 1.00 30.44 C ATOM 978 CG HIS A 277 31.343 -5.620 20.077 1.00 32.66 C ATOM 979 ND1 HIS A 277 32.526 -5.403 20.755 1.00 35.83 N ATOM 980 CD2 HIS A 277 30.906 -6.842 20.425 1.00 33.61 C ATOM 981 CE1 HIS A 277 32.779 -6.474 21.496 1.00 34.39 C ATOM 982 NE2 HIS A 277 31.829 -7.355 21.321 1.00 31.67 N ATOM 983 H HIS A 277 30.098 -2.908 17.399 1.00 0.00 H ATOM 984 N LEU A 278 31.227 -5.784 16.263 1.00 33.44 N ATOM 985 CA LEU A 278 31.552 -6.922 15.409 1.00 34.60 C ATOM 986 C LEU A 278 32.858 -6.801 14.632 1.00 34.73 C ATOM 987 O LEU A 278 33.610 -7.762 14.555 1.00 33.67 O ATOM 988 CB LEU A 278 30.401 -7.205 14.446 1.00 34.77 C ATOM 989 CG LEU A 278 29.175 -7.816 15.127 1.00 36.42 C ATOM 990 CD1 LEU A 278 27.984 -7.869 14.150 1.00 33.26 C ATOM 991 CD2 LEU A 278 29.552 -9.188 15.664 1.00 34.50 C ATOM 992 H LEU A 278 30.317 -5.293 16.155 1.00 0.00 H ATOM 993 N LYS A 279 33.112 -5.632 14.049 1.00 34.73 N ATOM 994 CA LYS A 279 34.328 -5.401 13.268 1.00 35.64 C ATOM 995 C LYS A 279 35.540 -5.430 14.193 1.00 36.73 C ATOM 996 O LYS A 279 36.675 -5.610 13.762 1.00 34.80 O ATOM 997 CB LYS A 279 34.276 -4.048 12.547 1.00 36.05 C ATOM 998 CG LYS A 279 35.586 -3.709 11.850 1.00 41.32 C ATOM 999 CD LYS A 279 35.586 -2.272 11.375 1.00 46.76 C ATOM 1000 CE LYS A 279 36.988 -1.797 11.015 1.00 48.81 C ATOM 1001 NZ LYS A 279 37.230 -0.425 11.549 1.00 50.07 N ATOM 1002 HZ1 LYS A 279 36.535 0.232 11.140 1.00 0.00 H ATOM 1003 HZ2 LYS A 279 37.132 -0.435 12.584 1.00 0.00 H ATOM 1004 HZ3 LYS A 279 38.191 -0.119 11.293 1.00 0.00 H ATOM 1005 H LYS A 279 32.425 -4.858 14.152 1.00 0.00 H ATOM 1006 N THR A 280 35.267 -5.247 15.476 1.00 37.20 N ATOM 1007 CA THR A 280 36.301 -5.251 16.503 1.00 35.86 C ATOM 1008 C THR A 280 36.772 -6.674 16.829 1.00 36.03 C ATOM 1009 O THR A 280 37.960 -6.915 17.073 1.00 37.42 O ATOM 1010 CB THR A 280 35.773 -4.581 17.796 1.00 37.87 C ATOM 1011 OG1 THR A 280 35.646 -3.169 17.602 1.00 38.22 O ATOM 1012 CG2 THR A 280 36.694 -4.824 18.920 1.00 35.64 C ATOM 1013 HG1 THR A 280 35.011 -2.994 16.863 1.00 0.00 H ATOM 1014 H THR A 280 34.278 -5.095 15.761 1.00 0.00 H ATOM 1015 N ILE A 281 35.826 -7.604 16.824 1.00 34.07 N ATOM 1016 CA ILE A 281 36.111 -8.990 17.113 1.00 31.35 C ATOM 1017 C ILE A 281 36.144 -9.840 15.850 1.00 32.03 C ATOM 1018 O ILE A 281 35.886 -11.050 15.879 1.00 35.03 O ATOM 1019 CB ILE A 281 35.089 -9.527 18.120 1.00 31.29 C ATOM 1020 CG1 ILE A 281 33.663 -9.523 17.524 1.00 30.23 C ATOM 1021 CG2 ILE A 281 35.104 -8.633 19.337 1.00 31.75 C ATOM 1022 CD1 ILE A 281 32.696 -10.489 18.197 1.00 24.29 C ATOM 1023 H ILE A 281 34.848 -7.326 16.605 1.00 0.00 H ATOM 1024 N ASN A 282 36.477 -9.232 14.730 1.00 32.68 N ATOM 1025 CA ASN A 282 36.590 -9.924 13.437 1.00 34.75 C ATOM 1026 C ASN A 282 35.375 -10.642 12.968 1.00 35.75 C ATOM 1027 O ASN A 282 35.474 -11.709 12.455 1.00 35.87 O ATOM 1028 CB ASN A 282 37.788 -10.871 13.377 1.00 35.64 C ATOM 1029 CG ASN A 282 39.060 -10.218 13.811 1.00 36.04 C ATOM 1030 OD1 ASN A 282 39.579 -9.395 13.121 1.00 36.03 O ATOM 1031 ND2 ASN A 282 39.535 -10.560 14.959 1.00 34.54 N ATOM 1032 HD22 ASN A 282 39.050 -11.283 15.528 1.00 0.00 H ATOM 1033 HD21 ASN A 282 40.404 -10.113 15.316 1.00 0.00 H ATOM 1034 H ASN A 282 36.670 -8.211 14.762 1.00 0.00 H ATOM 1035 N GLN A 283 34.221 -10.030 13.138 1.00 38.60 N ATOM 1036 CA GLN A 283 32.979 -10.677 12.767 1.00 42.70 C ATOM 1037 C GLN A 283 32.180 -9.637 11.995 1.00 43.03 C ATOM 1038 O GLN A 283 30.982 -9.425 12.210 1.00 42.26 O ATOM 1039 CB GLN A 283 32.275 -11.154 14.039 1.00 46.11 C ATOM 1040 CG GLN A 283 32.795 -12.520 14.483 1.00 51.32 C ATOM 1041 CD GLN A 283 32.175 -13.653 13.666 1.00 51.60 C ATOM 1042 OE1 GLN A 283 31.322 -14.380 14.161 1.00 56.30 O ATOM 1043 NE2 GLN A 283 32.584 -13.781 12.403 1.00 53.72 N ATOM 1044 HE22 GLN A 283 33.311 -13.141 12.024 1.00 0.00 H ATOM 1045 HE21 GLN A 283 32.176 -14.521 11.797 1.00 0.00 H ATOM 1046 H GLN A 283 34.201 -9.072 13.543 1.00 0.00 H ATOM 1047 N GLU A 284 32.909 -8.982 11.100 1.00 43.04 N ATOM 1048 CA GLU A 284 32.368 -7.961 10.205 1.00 46.47 C ATOM 1049 C GLU A 284 31.515 -8.627 9.129 1.00 45.20 C ATOM 1050 O GLU A 284 30.653 -7.986 8.536 1.00 45.69 O ATOM 1051 CB GLU A 284 33.488 -7.157 9.537 1.00 48.76 C ATOM 1052 CG GLU A 284 34.720 -7.981 9.245 1.00 55.08 C ATOM 1053 CD GLU A 284 35.824 -7.158 8.645 1.00 58.86 C ATOM 1054 OE1 GLU A 284 35.592 -5.958 8.415 1.00 63.99 O ATOM 1055 OE2 GLU A 284 36.919 -7.702 8.395 1.00 62.18 O ATOM 1056 H GLU A 284 33.922 -9.208 11.032 1.00 0.00 H ATOM 1057 N SER A 285 31.765 -9.916 8.911 1.00 44.43 N ATOM 1058 CA SER A 285 31.029 -10.715 7.947 1.00 44.54 C ATOM 1059 C SER A 285 29.623 -10.914 8.483 1.00 44.01 C ATOM 1060 O SER A 285 28.721 -11.336 7.745 1.00 42.99 O ATOM 1061 CB SER A 285 31.695 -12.086 7.724 1.00 45.14 C ATOM 1062 OG SER A 285 31.638 -12.895 8.885 1.00 47.60 O ATOM 1063 HG SER A 285 30.692 -13.046 9.135 1.00 0.00 H ATOM 1064 H SER A 285 32.523 -10.373 9.457 1.00 0.00 H ATOM 1065 N CYS A 286 29.414 -10.625 9.762 1.00 43.31 N ATOM 1066 CA CYS A 286 28.072 -10.799 10.298 1.00 43.04 C ATOM 1067 C CYS A 286 27.296 -9.496 10.371 1.00 42.61 C ATOM 1068 O CYS A 286 26.196 -9.458 10.877 1.00 43.05 O ATOM 1069 CB CYS A 286 28.117 -11.487 11.677 1.00 44.11 C ATOM 1070 SG CYS A 286 27.466 -13.206 11.703 1.00 46.19 S ATOM 1071 H CYS A 286 30.189 -10.283 10.365 1.00 0.00 H ATOM 1072 N ILE A 287 27.866 -8.434 9.830 1.00 44.26 N ATOM 1073 CA ILE A 287 27.209 -7.133 9.850 1.00 43.55 C ATOM 1074 C ILE A 287 25.980 -7.069 8.930 1.00 44.64 C ATOM 1075 O ILE A 287 24.905 -6.613 9.334 1.00 42.87 O ATOM 1076 CB ILE A 287 28.223 -6.009 9.487 1.00 44.09 C ATOM 1077 CG1 ILE A 287 29.299 -5.913 10.588 1.00 43.77 C ATOM 1078 CG2 ILE A 287 27.496 -4.676 9.301 1.00 40.66 C ATOM 1079 CD1 ILE A 287 30.306 -4.762 10.439 1.00 45.61 C ATOM 1080 H ILE A 287 28.800 -8.528 9.382 1.00 0.00 H ATOM 1081 N GLU A 288 26.142 -7.531 7.694 1.00 45.16 N ATOM 1082 CA GLU A 288 25.062 -7.546 6.728 1.00 45.07 C ATOM 1083 C GLU A 288 23.937 -8.457 7.233 1.00 43.87 C ATOM 1084 O GLU A 288 22.751 -8.135 7.116 1.00 43.11 O ATOM 1085 CB GLU A 288 25.588 -8.034 5.378 1.00 49.30 C ATOM 1086 CG GLU A 288 25.799 -6.928 4.347 1.00 54.92 C ATOM 1087 CD GLU A 288 24.504 -6.201 4.002 1.00 59.19 C ATOM 1088 OE1 GLU A 288 24.528 -5.297 3.137 1.00 62.10 O ATOM 1089 OE2 GLU A 288 23.454 -6.539 4.593 1.00 60.89 O ATOM 1090 H GLU A 288 27.075 -7.894 7.411 1.00 0.00 H ATOM 1091 N PRO A 289 24.289 -9.629 7.767 1.00 41.44 N ATOM 1092 CA PRO A 289 23.215 -10.496 8.265 1.00 39.86 C ATOM 1093 C PRO A 289 22.475 -9.799 9.418 1.00 40.71 C ATOM 1094 O PRO A 289 21.262 -9.959 9.590 1.00 41.79 O ATOM 1095 CB PRO A 289 23.969 -11.735 8.726 1.00 40.95 C ATOM 1096 CG PRO A 289 25.139 -11.781 7.750 1.00 40.24 C ATOM 1097 CD PRO A 289 25.567 -10.353 7.649 1.00 40.43 C ATOM 1098 N LEU A 290 23.222 -9.027 10.206 1.00 39.50 N ATOM 1099 CA LEU A 290 22.665 -8.294 11.344 1.00 38.34 C ATOM 1100 C LEU A 290 21.691 -7.232 10.863 1.00 38.40 C ATOM 1101 O LEU A 290 20.629 -7.026 11.446 1.00 37.83 O ATOM 1102 CB LEU A 290 23.784 -7.624 12.153 1.00 36.24 C ATOM 1103 CG LEU A 290 23.329 -6.686 13.277 1.00 35.81 C ATOM 1104 CD1 LEU A 290 22.637 -7.505 14.339 1.00 34.38 C ATOM 1105 CD2 LEU A 290 24.518 -5.904 13.846 1.00 33.07 C ATOM 1106 H LEU A 290 24.239 -8.942 10.005 1.00 0.00 H ATOM 1107 N ALA A 291 22.071 -6.555 9.788 1.00 38.88 N ATOM 1108 CA ALA A 291 21.238 -5.519 9.211 1.00 38.32 C ATOM 1109 C ALA A 291 19.946 -6.148 8.659 1.00 39.20 C ATOM 1110 O ALA A 291 18.913 -5.494 8.583 1.00 38.53 O ATOM 1111 CB ALA A 291 22.009 -4.804 8.125 1.00 34.92 C ATOM 1112 H ALA A 291 22.988 -6.773 9.349 1.00 0.00 H ATOM 1113 N GLU A 292 20.024 -7.426 8.298 1.00 41.77 N ATOM 1114 CA GLU A 292 18.882 -8.158 7.791 1.00 45.79 C ATOM 1115 C GLU A 292 17.961 -8.464 8.958 1.00 45.04 C ATOM 1116 O GLU A 292 16.750 -8.233 8.880 1.00 44.81 O ATOM 1117 CB GLU A 292 19.336 -9.453 7.096 1.00 49.46 C ATOM 1118 CG GLU A 292 19.975 -9.227 5.729 1.00 55.93 C ATOM 1119 CD GLU A 292 20.128 -10.526 4.949 1.00 60.03 C ATOM 1120 OE1 GLU A 292 19.295 -11.431 5.150 1.00 61.80 O ATOM 1121 OE2 GLU A 292 21.065 -10.646 4.130 1.00 62.16 O ATOM 1122 H GLU A 292 20.937 -7.917 8.383 1.00 0.00 H ATOM 1123 N SER A 293 18.522 -8.977 10.046 1.00 42.59 N ATOM 1124 CA SER A 293 17.688 -9.269 11.202 1.00 41.36 C ATOM 1125 C SER A 293 16.895 -8.035 11.611 1.00 39.24 C ATOM 1126 O SER A 293 15.695 -8.112 11.866 1.00 39.22 O ATOM 1127 CB SER A 293 18.540 -9.714 12.376 1.00 40.62 C ATOM 1128 OG SER A 293 19.216 -10.903 12.049 1.00 48.61 O ATOM 1129 HG SER A 293 19.797 -10.746 11.263 1.00 0.00 H ATOM 1130 H SER A 293 19.544 -9.168 10.072 1.00 0.00 H ATOM 1131 N ILE A 294 17.579 -6.902 11.666 1.00 35.09 N ATOM 1132 CA ILE A 294 16.972 -5.646 12.072 1.00 31.95 C ATOM 1133 C ILE A 294 15.866 -5.189 11.113 1.00 34.88 C ATOM 1134 O ILE A 294 14.783 -4.782 11.541 1.00 29.37 O ATOM 1135 CB ILE A 294 18.052 -4.520 12.170 1.00 29.87 C ATOM 1136 CG1 ILE A 294 19.102 -4.881 13.239 1.00 29.08 C ATOM 1137 CG2 ILE A 294 17.389 -3.190 12.463 1.00 26.74 C ATOM 1138 CD1 ILE A 294 20.172 -3.863 13.449 1.00 28.12 C ATOM 1139 H ILE A 294 18.587 -6.912 11.409 1.00 0.00 H ATOM 1140 N THR A 295 16.164 -5.263 9.818 1.00 35.61 N ATOM 1141 CA THR A 295 15.242 -4.834 8.783 1.00 35.93 C ATOM 1142 C THR A 295 14.026 -5.732 8.723 1.00 37.90 C ATOM 1143 O THR A 295 12.903 -5.259 8.576 1.00 37.84 O ATOM 1144 CB THR A 295 15.904 -4.841 7.393 1.00 36.64 C ATOM 1145 OG1 THR A 295 17.081 -4.033 7.412 1.00 35.58 O ATOM 1146 CG2 THR A 295 14.967 -4.250 6.378 1.00 35.59 C ATOM 1147 HG1 THR A 295 17.717 -4.394 8.079 1.00 0.00 H ATOM 1148 H THR A 295 17.091 -5.642 9.538 1.00 0.00 H ATOM 1149 N ASP A 296 14.263 -7.031 8.847 1.00 39.23 N ATOM 1150 CA ASP A 296 13.175 -7.984 8.806 1.00 41.68 C ATOM 1151 C ASP A 296 12.180 -7.692 9.904 1.00 44.91 C ATOM 1152 O ASP A 296 10.971 -7.854 9.704 1.00 45.61 O ATOM 1153 CB ASP A 296 13.677 -9.404 9.005 1.00 42.61 C ATOM 1154 CG ASP A 296 13.984 -10.110 7.705 1.00 47.12 C ATOM 1155 OD1 ASP A 296 13.885 -9.478 6.636 1.00 49.76 O ATOM 1156 OD2 ASP A 296 14.325 -11.310 7.742 1.00 50.15 O ATOM 1157 H ASP A 296 15.239 -7.367 8.975 1.00 0.00 H ATOM 1158 N VAL A 297 12.680 -7.272 11.057 1.00 45.11 N ATOM 1159 CA VAL A 297 11.788 -7.025 12.151 1.00 47.12 C ATOM 1160 C VAL A 297 11.135 -5.643 12.077 1.00 46.97 C ATOM 1161 O VAL A 297 9.971 -5.438 12.453 1.00 47.88 O ATOM 1162 CB VAL A 297 12.547 -7.211 13.495 1.00 48.26 C ATOM 1163 CG1 VAL A 297 11.616 -6.872 14.636 1.00 47.93 C ATOM 1164 CG2 VAL A 297 13.126 -8.666 13.598 1.00 50.57 C ATOM 1165 H VAL A 297 13.704 -7.124 11.166 1.00 0.00 H ATOM 1166 N LEU A 298 11.869 -4.687 11.550 1.00 46.95 N ATOM 1167 CA LEU A 298 11.274 -3.390 11.519 1.00 49.39 C ATOM 1168 C LEU A 298 10.137 -3.406 10.490 1.00 51.53 C ATOM 1169 O LEU A 298 9.018 -2.956 10.787 1.00 50.47 O ATOM 1170 CB LEU A 298 12.314 -2.295 11.247 1.00 50.65 C ATOM 1171 CG LEU A 298 11.772 -0.872 11.002 1.00 50.61 C ATOM 1172 CD1 LEU A 298 10.865 -0.411 12.149 1.00 49.46 C ATOM 1173 CD2 LEU A 298 12.926 0.100 10.794 1.00 50.61 C ATOM 1174 H LEU A 298 12.824 -4.865 11.179 1.00 0.00 H ATOM 1175 N VAL A 299 10.380 -3.943 9.297 1.00 53.17 N ATOM 1176 CA VAL A 299 9.287 -3.956 8.339 1.00 54.39 C ATOM 1177 C VAL A 299 8.307 -5.153 8.506 1.00 56.33 C ATOM 1178 O VAL A 299 7.184 -5.118 7.989 1.00 56.76 O ATOM 1179 CB VAL A 299 9.838 -3.829 6.838 1.00 54.74 C ATOM 1180 CG1 VAL A 299 10.836 -2.682 6.735 1.00 52.91 C ATOM 1181 CG2 VAL A 299 10.494 -5.109 6.359 1.00 56.66 C ATOM 1182 H VAL A 299 11.313 -4.337 9.060 1.00 0.00 H ATOM 1183 N ARG A 300 8.707 -6.189 9.249 1.00 58.53 N ATOM 1184 CA ARG A 300 7.785 -7.331 9.392 1.00 59.41 C ATOM 1185 C ARG A 300 6.745 -6.980 10.430 1.00 59.66 C ATOM 1186 O ARG A 300 5.561 -7.236 10.218 1.00 60.90 O ATOM 1187 CB ARG A 300 8.538 -8.636 9.720 1.00 62.21 C ATOM 1188 CG ARG A 300 7.805 -9.988 9.437 1.00 65.07 C ATOM 1189 CD ARG A 300 7.855 -10.951 10.656 1.00 68.17 C ATOM 1190 NE ARG A 300 9.184 -11.226 11.238 1.00 71.45 N ATOM 1191 CZ ARG A 300 9.404 -11.444 12.542 1.00 73.82 C ATOM 1192 NH1 ARG A 300 8.390 -11.398 13.401 1.00 73.43 N ATOM 1193 NH2 ARG A 300 10.626 -11.757 12.996 1.00 75.54 N ATOM 1194 HE ARG A 300 10.001 -11.252 10.595 1.00 0.00 H ATOM 1195 HH12 ARG A 300 8.558 -11.567 14.413 1.00 0.00 H ATOM 1196 HH11 ARG A 300 7.429 -11.193 13.060 1.00 0.00 H ATOM 1197 HH22 ARG A 300 10.777 -11.923 14.012 1.00 0.00 H ATOM 1198 HH21 ARG A 300 11.423 -11.834 12.333 1.00 0.00 H ATOM 1199 H ARG A 300 9.638 -6.190 9.712 1.00 0.00 H ATOM 1200 N THR A 301 7.143 -6.310 11.497 1.00 58.38 N ATOM 1201 CA THR A 301 6.164 -5.986 12.535 1.00 58.19 C ATOM 1202 C THR A 301 5.548 -4.571 12.534 1.00 58.19 C ATOM 1203 O THR A 301 4.632 -4.344 13.303 1.00 56.24 O ATOM 1204 CB THR A 301 6.710 -6.221 13.912 1.00 56.86 C ATOM 1205 OG1 THR A 301 7.644 -5.189 14.175 1.00 57.80 O ATOM 1206 CG2 THR A 301 7.415 -7.614 14.063 1.00 57.10 C ATOM 1207 HG1 THR A 301 8.369 -5.223 13.502 1.00 0.00 H ATOM 1208 H THR A 301 8.136 -6.018 11.597 1.00 0.00 H ATOM 1209 N LYS A 302 5.991 -3.632 11.693 1.00 58.30 N ATOM 1210 CA LYS A 302 5.349 -2.316 11.693 1.00 58.04 C ATOM 1211 C LYS A 302 5.203 -1.794 10.275 1.00 58.42 C ATOM 1212 O LYS A 302 5.099 -0.585 10.008 1.00 58.11 O ATOM 1213 CB LYS A 302 6.132 -1.334 12.586 1.00 59.39 C ATOM 1214 CG LYS A 302 5.762 -1.488 14.061 1.00 58.93 C ATOM 1215 CD LYS A 302 6.984 -1.477 14.948 1.00 58.97 C ATOM 1216 CE LYS A 302 6.729 -2.223 16.273 1.00 59.05 C ATOM 1217 NZ LYS A 302 5.791 -1.567 17.224 1.00 59.42 N ATOM 1218 HZ1 LYS A 302 6.163 -0.632 17.486 1.00 0.00 H ATOM 1219 HZ2 LYS A 302 4.861 -1.457 16.771 1.00 0.00 H ATOM 1220 HZ3 LYS A 302 5.696 -2.155 18.076 1.00 0.00 H ATOM 1221 H LYS A 302 6.781 -3.833 11.047 1.00 0.00 H ATOM 1222 N ARG A 303 5.162 -2.747 9.359 1.00 59.26 N ATOM 1223 CA ARG A 303 5.013 -2.424 7.952 1.00 60.71 C ATOM 1224 C ARG A 303 3.829 -1.512 7.693 1.00 60.25 C ATOM 1225 O ARG A 303 3.954 -0.504 7.002 1.00 60.06 O ATOM 1226 CB ARG A 303 4.864 -3.684 7.100 1.00 61.75 C ATOM 1227 CG ARG A 303 3.713 -4.616 7.422 1.00 62.75 C ATOM 1228 CD ARG A 303 3.682 -5.541 6.232 1.00 63.87 C ATOM 1229 NE ARG A 303 4.255 -4.834 5.082 1.00 63.55 N ATOM 1230 CZ ARG A 303 5.101 -5.367 4.214 1.00 64.57 C ATOM 1231 NH1 ARG A 303 5.496 -6.623 4.360 1.00 64.69 N ATOM 1232 NH2 ARG A 303 5.529 -4.641 3.186 1.00 63.02 N ATOM 1233 HE ARG A 303 3.977 -3.842 4.938 1.00 0.00 H ATOM 1234 HH12 ARG A 303 6.160 -7.042 3.678 1.00 0.00 H ATOM 1235 HH11 ARG A 303 5.142 -7.190 5.156 1.00 0.00 H ATOM 1236 HH22 ARG A 303 6.194 -5.052 2.500 1.00 0.00 H ATOM 1237 HH21 ARG A 303 5.199 -3.662 3.068 1.00 0.00 H ATOM 1238 H ARG A 303 5.238 -3.742 9.651 1.00 0.00 H ATOM 1239 N ASP A 304 2.677 -1.846 8.245 1.00 59.91 N ATOM 1240 CA ASP A 304 1.519 -0.996 7.991 1.00 61.95 C ATOM 1241 C ASP A 304 1.648 0.427 8.523 1.00 60.77 C ATOM 1242 O ASP A 304 1.136 1.371 7.930 1.00 60.73 O ATOM 1243 CB ASP A 304 0.231 -1.662 8.507 1.00 63.83 C ATOM 1244 CG ASP A 304 -0.239 -2.792 7.591 1.00 64.67 C ATOM 1245 OD1 ASP A 304 0.426 -3.034 6.556 1.00 66.30 O ATOM 1246 OD2 ASP A 304 -1.266 -3.439 7.896 1.00 66.53 O ATOM 1247 H ASP A 304 2.597 -2.692 8.845 1.00 0.00 H ATOM 1248 N TRP A 305 2.346 0.589 9.631 1.00 60.35 N ATOM 1249 CA TRP A 305 2.547 1.911 10.198 1.00 58.88 C ATOM 1250 C TRP A 305 3.460 2.656 9.226 1.00 59.50 C ATOM 1251 O TRP A 305 3.214 3.807 8.875 1.00 60.24 O ATOM 1252 CB TRP A 305 3.213 1.776 11.567 1.00 56.85 C ATOM 1253 CG TRP A 305 3.392 3.046 12.297 1.00 55.88 C ATOM 1254 CD1 TRP A 305 2.475 3.677 13.086 1.00 56.50 C ATOM 1255 CD2 TRP A 305 4.575 3.848 12.334 1.00 54.82 C ATOM 1256 NE1 TRP A 305 3.016 4.825 13.622 1.00 54.64 N ATOM 1257 CE2 TRP A 305 4.303 4.952 13.183 1.00 54.57 C ATOM 1258 CE3 TRP A 305 5.842 3.735 11.749 1.00 53.04 C ATOM 1259 CZ2 TRP A 305 5.253 5.947 13.450 1.00 55.03 C ATOM 1260 CZ3 TRP A 305 6.788 4.721 12.014 1.00 53.31 C ATOM 1261 CH2 TRP A 305 6.490 5.815 12.865 1.00 53.10 C ATOM 1262 HE1 TRP A 305 2.525 5.486 14.257 1.00 0.00 H ATOM 1263 H TRP A 305 2.758 -0.241 10.104 1.00 0.00 H ATOM 1264 N LEU A 306 4.513 1.985 8.779 1.00 59.08 N ATOM 1265 CA LEU A 306 5.462 2.595 7.852 1.00 58.74 C ATOM 1266 C LEU A 306 4.757 3.085 6.571 1.00 58.75 C ATOM 1267 O LEU A 306 4.997 4.199 6.084 1.00 56.82 O ATOM 1268 CB LEU A 306 6.582 1.581 7.523 1.00 58.14 C ATOM 1269 CG LEU A 306 7.514 1.177 8.694 1.00 55.57 C ATOM 1270 CD1 LEU A 306 8.510 0.081 8.297 1.00 55.85 C ATOM 1271 CD2 LEU A 306 8.272 2.397 9.130 1.00 55.32 C ATOM 1272 H LEU A 306 4.666 1.006 9.095 1.00 0.00 H ATOM 1273 N VAL A 307 3.892 2.238 6.026 1.00 58.83 N ATOM 1274 CA VAL A 307 3.136 2.574 4.833 1.00 59.11 C ATOM 1275 C VAL A 307 2.338 3.846 5.113 1.00 59.34 C ATOM 1276 O VAL A 307 2.285 4.775 4.296 1.00 58.75 O ATOM 1277 CB VAL A 307 2.179 1.414 4.482 1.00 60.01 C ATOM 1278 CG1 VAL A 307 1.189 1.843 3.398 1.00 60.18 C ATOM 1279 CG2 VAL A 307 3.002 0.207 4.026 1.00 60.05 C ATOM 1280 H VAL A 307 3.752 1.306 6.467 1.00 0.00 H ATOM 1281 N LYS A 308 1.732 3.868 6.292 1.00 59.32 N ATOM 1282 CA LYS A 308 0.937 4.996 6.752 1.00 60.20 C ATOM 1283 C LYS A 308 1.742 6.284 6.804 1.00 59.43 C ATOM 1284 O LYS A 308 1.253 7.343 6.409 1.00 58.09 O ATOM 1285 CB LYS A 308 0.397 4.713 8.150 1.00 61.45 C ATOM 1286 CG LYS A 308 -1.037 5.167 8.350 1.00 64.32 C ATOM 1287 CD LYS A 308 -1.289 5.603 9.791 1.00 65.63 C ATOM 1288 CE LYS A 308 -1.065 4.476 10.800 1.00 66.38 C ATOM 1289 NZ LYS A 308 -1.974 4.692 11.972 1.00 69.17 N ATOM 1290 HZ1 LYS A 308 -1.758 5.609 12.412 1.00 0.00 H ATOM 1291 HZ2 LYS A 308 -2.962 4.686 11.648 1.00 0.00 H ATOM 1292 HZ3 LYS A 308 -1.830 3.931 12.666 1.00 0.00 H ATOM 1293 H LYS A 308 1.829 3.042 6.916 1.00 0.00 H ATOM 1294 N GLN A 309 2.973 6.171 7.308 1.00 60.48 N ATOM 1295 CA GLN A 309 3.899 7.293 7.479 1.00 60.28 C ATOM 1296 C GLN A 309 4.629 7.646 6.207 1.00 60.01 C ATOM 1297 O GLN A 309 5.443 8.570 6.172 1.00 60.75 O ATOM 1298 CB GLN A 309 4.921 6.955 8.569 1.00 61.71 C ATOM 1299 CG GLN A 309 4.314 6.719 9.935 1.00 62.10 C ATOM 1300 CD GLN A 309 3.382 7.847 10.368 1.00 64.60 C ATOM 1301 OE1 GLN A 309 3.630 9.019 10.080 1.00 65.65 O ATOM 1302 NE2 GLN A 309 2.311 7.497 11.080 1.00 65.87 N ATOM 1303 HE22 GLN A 309 2.138 6.496 11.301 1.00 0.00 H ATOM 1304 HE21 GLN A 309 1.648 8.225 11.414 1.00 0.00 H ATOM 1305 H GLN A 309 3.295 5.226 7.598 1.00 0.00 H ATOM 1306 N ARG A 310 4.328 6.912 5.150 1.00 61.47 N ATOM 1307 CA ARG A 310 4.977 7.151 3.871 1.00 62.80 C ATOM 1308 C ARG A 310 6.455 6.802 3.915 1.00 61.42 C ATOM 1309 O ARG A 310 7.302 7.483 3.332 1.00 60.57 O ATOM 1310 CB ARG A 310 4.748 8.595 3.434 1.00 64.45 C ATOM 1311 CG ARG A 310 3.469 8.702 2.634 1.00 67.64 C ATOM 1312 CD ARG A 310 3.007 10.115 2.439 1.00 70.21 C ATOM 1313 NE ARG A 310 2.790 10.744 3.728 1.00 71.53 N ATOM 1314 CZ ARG A 310 3.670 11.545 4.305 1.00 71.91 C ATOM 1315 NH1 ARG A 310 4.823 11.814 3.699 1.00 72.11 N ATOM 1316 NH2 ARG A 310 3.396 12.073 5.483 1.00 71.52 N ATOM 1317 HE ARG A 310 1.896 10.555 4.224 1.00 0.00 H ATOM 1318 HH12 ARG A 310 5.515 12.444 4.153 1.00 0.00 H ATOM 1319 HH11 ARG A 310 5.033 11.394 2.771 1.00 0.00 H ATOM 1320 HH22 ARG A 310 4.083 12.704 5.943 1.00 0.00 H ATOM 1321 HH21 ARG A 310 2.493 11.858 5.952 1.00 0.00 H ATOM 1322 H ARG A 310 3.619 6.155 5.234 1.00 0.00 H ATOM 1323 N GLY A 311 6.725 5.705 4.622 1.00 60.22 N ATOM 1324 CA GLY A 311 8.068 5.180 4.770 1.00 57.65 C ATOM 1325 C GLY A 311 9.128 6.124 5.266 1.00 56.25 C ATOM 1326 O GLY A 311 8.940 6.876 6.232 1.00 56.32 O ATOM 1327 H GLY A 311 5.940 5.205 5.086 1.00 0.00 H ATOM 1328 N TRP A 312 10.268 6.072 4.591 1.00 55.95 N ATOM 1329 CA TRP A 312 11.394 6.910 4.947 1.00 55.27 C ATOM 1330 C TRP A 312 11.185 8.397 4.727 1.00 55.10 C ATOM 1331 O TRP A 312 12.004 9.209 5.152 1.00 55.03 O ATOM 1332 CB TRP A 312 12.641 6.415 4.227 1.00 54.42 C ATOM 1333 CG TRP A 312 12.996 5.023 4.680 1.00 54.91 C ATOM 1334 CD1 TRP A 312 12.696 3.852 4.039 1.00 54.30 C ATOM 1335 CD2 TRP A 312 13.623 4.653 5.920 1.00 54.88 C ATOM 1336 NE1 TRP A 312 13.094 2.778 4.798 1.00 55.51 N ATOM 1337 CE2 TRP A 312 13.674 3.237 5.957 1.00 55.96 C ATOM 1338 CE3 TRP A 312 14.163 5.379 7.002 1.00 53.70 C ATOM 1339 CZ2 TRP A 312 14.221 2.529 7.039 1.00 55.73 C ATOM 1340 CZ3 TRP A 312 14.707 4.677 8.079 1.00 51.65 C ATOM 1341 CH2 TRP A 312 14.739 3.269 8.085 1.00 53.98 C ATOM 1342 HE1 TRP A 312 12.976 1.778 4.538 1.00 0.00 H ATOM 1343 H TRP A 312 10.355 5.416 3.789 1.00 0.00 H ATOM 1344 N ASP A 313 10.090 8.767 4.069 1.00 56.13 N ATOM 1345 CA ASP A 313 9.811 10.181 3.863 1.00 54.99 C ATOM 1346 C ASP A 313 9.266 10.685 5.192 1.00 53.55 C ATOM 1347 O ASP A 313 9.542 11.810 5.612 1.00 54.03 O ATOM 1348 CB ASP A 313 8.791 10.396 2.733 1.00 56.67 C ATOM 1349 CG ASP A 313 9.406 10.222 1.339 1.00 60.00 C ATOM 1350 OD1 ASP A 313 10.471 10.852 1.078 1.00 59.82 O ATOM 1351 OD2 ASP A 313 8.814 9.463 0.512 1.00 60.50 O ATOM 1352 H ASP A 313 9.434 8.048 3.702 1.00 0.00 H ATOM 1353 N GLY A 314 8.508 9.834 5.867 1.00 51.40 N ATOM 1354 CA GLY A 314 7.963 10.217 7.157 1.00 50.16 C ATOM 1355 C GLY A 314 9.109 10.393 8.142 1.00 47.63 C ATOM 1356 O GLY A 314 9.144 11.338 8.923 1.00 45.78 O ATOM 1357 H GLY A 314 8.304 8.893 5.474 1.00 0.00 H ATOM 1358 N PHE A 315 10.061 9.471 8.082 1.00 45.97 N ATOM 1359 CA PHE A 315 11.233 9.486 8.945 1.00 43.40 C ATOM 1360 C PHE A 315 11.967 10.813 8.811 1.00 44.08 C ATOM 1361 O PHE A 315 12.164 11.543 9.788 1.00 41.08 O ATOM 1362 CB PHE A 315 12.153 8.346 8.544 1.00 42.76 C ATOM 1363 CG PHE A 315 13.466 8.344 9.256 1.00 43.91 C ATOM 1364 CD1 PHE A 315 13.545 8.001 10.602 1.00 44.27 C ATOM 1365 CD2 PHE A 315 14.640 8.598 8.557 1.00 43.34 C ATOM 1366 CE1 PHE A 315 14.774 7.915 11.233 1.00 45.13 C ATOM 1367 CE2 PHE A 315 15.868 8.515 9.178 1.00 42.23 C ATOM 1368 CZ PHE A 315 15.941 8.166 10.514 1.00 44.50 C ATOM 1369 H PHE A 315 9.966 8.703 7.387 1.00 0.00 H ATOM 1370 N VAL A 316 12.379 11.122 7.592 1.00 44.91 N ATOM 1371 CA VAL A 316 13.082 12.363 7.338 1.00 46.24 C ATOM 1372 C VAL A 316 12.240 13.566 7.786 1.00 48.56 C ATOM 1373 O VAL A 316 12.757 14.505 8.386 1.00 47.63 O ATOM 1374 CB VAL A 316 13.429 12.497 5.826 1.00 45.01 C ATOM 1375 CG1 VAL A 316 13.973 13.893 5.529 1.00 43.70 C ATOM 1376 CG2 VAL A 316 14.450 11.437 5.425 1.00 38.51 C ATOM 1377 H VAL A 316 12.196 10.466 6.806 1.00 0.00 H ATOM 1378 N GLU A 317 10.942 13.523 7.492 1.00 50.80 N ATOM 1379 CA GLU A 317 10.005 14.582 7.856 1.00 52.35 C ATOM 1380 C GLU A 317 9.986 14.818 9.383 1.00 51.87 C ATOM 1381 O GLU A 317 10.082 15.956 9.855 1.00 50.11 O ATOM 1382 CB GLU A 317 8.610 14.169 7.372 1.00 55.66 C ATOM 1383 CG GLU A 317 7.639 15.300 7.081 1.00 60.73 C ATOM 1384 CD GLU A 317 6.545 14.854 6.114 1.00 63.96 C ATOM 1385 OE1 GLU A 317 5.660 14.065 6.507 1.00 65.92 O ATOM 1386 OE2 GLU A 317 6.589 15.285 4.944 1.00 67.66 O ATOM 1387 H GLU A 317 10.578 12.695 6.978 1.00 0.00 H ATOM 1388 N PHE A 318 9.860 13.726 10.141 1.00 50.66 N ATOM 1389 CA PHE A 318 9.792 13.767 11.604 1.00 49.69 C ATOM 1390 C PHE A 318 11.001 14.436 12.260 1.00 50.94 C ATOM 1391 O PHE A 318 10.869 15.222 13.207 1.00 52.23 O ATOM 1392 CB PHE A 318 9.652 12.341 12.142 1.00 47.48 C ATOM 1393 CG PHE A 318 9.455 12.269 13.624 1.00 46.96 C ATOM 1394 CD1 PHE A 318 8.220 12.585 14.192 1.00 48.15 C ATOM 1395 CD2 PHE A 318 10.500 11.897 14.468 1.00 44.88 C ATOM 1396 CE1 PHE A 318 8.023 12.537 15.585 1.00 45.89 C ATOM 1397 CE2 PHE A 318 10.302 11.849 15.854 1.00 44.08 C ATOM 1398 CZ PHE A 318 9.052 12.172 16.402 1.00 44.40 C ATOM 1399 H PHE A 318 9.808 12.800 9.670 1.00 0.00 H ATOM 1400 N PHE A 319 12.186 14.111 11.764 1.00 51.91 N ATOM 1401 CA PHE A 319 13.398 14.680 12.318 1.00 52.83 C ATOM 1402 C PHE A 319 13.928 15.969 11.716 1.00 54.70 C ATOM 1403 O PHE A 319 15.056 16.358 12.015 1.00 54.52 O ATOM 1404 CB PHE A 319 14.512 13.648 12.291 1.00 51.84 C ATOM 1405 CG PHE A 319 14.302 12.534 13.253 1.00 52.56 C ATOM 1406 CD1 PHE A 319 14.297 12.781 14.624 1.00 51.78 C ATOM 1407 CD2 PHE A 319 14.060 11.246 12.796 1.00 51.96 C ATOM 1408 CE1 PHE A 319 14.043 11.763 15.528 1.00 53.75 C ATOM 1409 CE2 PHE A 319 13.805 10.216 13.686 1.00 55.12 C ATOM 1410 CZ PHE A 319 13.798 10.473 15.063 1.00 55.40 C ATOM 1411 H PHE A 319 12.247 13.442 10.970 1.00 0.00 H ATOM 1412 N HIS A 320 13.161 16.641 10.864 1.00 56.79 N ATOM 1413 CA HIS A 320 13.682 17.892 10.328 1.00 58.77 C ATOM 1414 C HIS A 320 14.137 18.732 11.515 1.00 59.57 C ATOM 1415 O HIS A 320 13.640 18.602 12.636 1.00 59.99 O ATOM 1416 CB HIS A 320 12.622 18.677 9.549 1.00 59.50 C ATOM 1417 CG HIS A 320 13.180 19.843 8.773 1.00 61.68 C ATOM 1418 ND1 HIS A 320 13.190 19.878 7.391 1.00 63.91 N ATOM 1419 CD2 HIS A 320 13.723 21.009 9.190 1.00 62.01 C ATOM 1420 CE1 HIS A 320 13.719 21.030 7.000 1.00 63.68 C ATOM 1421 NE2 HIS A 320 14.050 21.734 8.062 1.00 62.09 N ATOM 1422 H HIS A 320 12.222 16.287 10.590 1.00 0.00 H ATOM 1423 N VAL A 321 15.104 19.597 11.265 1.00 61.16 N ATOM 1424 CA VAL A 321 15.631 20.495 12.303 1.00 63.01 C ATOM 1425 C VAL A 321 15.948 21.816 11.641 1.00 63.24 C ATOM 1426 O VAL A 321 15.728 22.882 12.251 1.00 64.36 O ATOM 1427 CB VAL A 321 16.877 19.895 12.940 1.00 63.23 C ATOM 1428 CG1 VAL A 321 16.499 18.641 13.654 1.00 63.18 C ATOM 1429 CG2 VAL A 321 17.909 19.554 11.879 1.00 64.30 C ATOM 1430 H VAL A 321 15.504 19.644 10.306 1.00 0.00 H TER 1431 VAL A 321 HETATM 1432 O HOH 1 5.924 -8.272 6.058 1.00 85.07 O HETATM 1433 O HOH 2 12.120 -6.691 28.674 1.00 59.17 O HETATM 1434 O HOH 3 23.804 -3.138 31.941 1.00116.06 O HETATM 1435 O HOH 4 33.157 -15.437 10.477 1.00 53.35 O HETATM 1436 O HOH 5 36.188 1.899 12.298 1.00 54.34 O HETATM 1437 O HOH 6 19.428 -14.188 5.236 1.00 76.58 O HETATM 1438 O HOH 7 28.174 7.025 9.555 1.00 41.20 O HETATM 1439 O HOH 8 29.896 -8.237 24.093 1.00 38.63 O HETATM 1440 O HOH 9 16.244 -13.198 12.591 1.00 96.91 O HETATM 1441 O HOH 10 42.194 -9.362 12.019 1.00 68.98 O HETATM 1442 O HOH 11 3.513 5.835 1.859 1.00 57.67 O HETATM 1443 O HOH 12 6.346 10.262 9.740 1.00 44.32 O HETATM 1444 O HOH 13 25.745 -14.655 24.751 1.00 78.36 O HETATM 1445 O HOH 14 4.206 -5.739 24.501 1.00 80.27 O HETATM 1446 O HOH 15 3.202 -4.119 16.098 1.00 49.88 O HETATM 1447 O HOH 16 23.651 -13.586 26.156 1.00 68.80 O HETATM 1448 O HOH 17 12.774 23.760 13.196 1.00 56.57 O HETATM 1449 O HOH 18 16.082 -12.585 10.155 1.00 93.29 O HETATM 1450 O HOH 19 28.865 -14.618 9.096 1.00 69.59 O HETATM 1451 O HOH 20 -0.633 8.875 4.217 1.00 62.15 O HETATM 1452 O HOH 21 37.022 8.575 8.658 1.00 54.27 O HETATM 1453 O HOH 22 33.102 8.180 9.832 1.00 84.69 O HETATM 1454 O HOH 23 28.294 8.449 17.474 1.00 53.72 O HETATM 1455 O HOH 24 23.471 6.727 28.603 1.00 35.68 O HETATM 1456 O HOH 25 23.770 10.325 1.411 1.00 56.05 O HETATM 1457 O HOH 26 5.094 -10.539 13.970 1.00122.96 O HETATM 1458 O HOH 27 29.215 -20.828 20.256 1.00 57.07 O HETATM 1459 O HOH 28 16.302 2.948 -9.947 1.00101.71 O HETATM 1460 O HOH 29 38.483 -1.991 15.912 1.00 68.16 O HETATM 1461 O HOH 30 21.006 -1.764 29.382 1.00 81.01 O HETATM 1462 O HOH 31 28.257 -22.485 10.053 1.00 88.96 O HETATM 1463 O HOH 32 22.198 -12.751 24.378 1.00 87.87 O HETATM 1464 O HOH 33 19.180 10.788 21.386 1.00 49.11 O HETATM 1465 O HOH 34 2.106 12.373 9.721 1.00106.98 O HETATM 1466 O HOH 35 35.070 2.735 27.754 1.00 89.24 O HETATM 1467 O HOH 36 27.975 -2.066 31.849 1.00 53.13 O HETATM 1468 O HOH 37 38.789 -0.910 18.225 1.00 50.37 O HETATM 1469 O HOH 38 6.032 13.986 10.953 1.00 44.90 O HETATM 1470 O HOH 39 8.174 -15.160 12.186 1.00 79.73 O HETATM 1471 O HOH 40 27.393 -1.875 2.535 1.00 52.11 O HETATM 1472 O HOH 41 33.041 10.053 25.935 1.00 82.93 O HETATM 1473 O HOH 42 26.042 8.299 -3.979 1.00 61.80 O HETATM 1474 O HOH 43 32.599 -21.981 25.319 1.00 81.16 O HETATM 1475 O HOH 44 16.405 16.692 5.543 1.00100.19 O HETATM 1476 O HOH 45 12.193 -15.952 14.150 1.00 30.30 O HETATM 1477 O HOH 46 17.621 -14.691 9.696 1.00 75.10 O HETATM 1478 O HOH 47 22.459 -15.429 10.963 1.00 71.61 O HETATM 1479 O HOH 48 3.563 -11.525 8.845 1.00 96.45 O HETATM 1480 O HOH 49 -3.750 6.866 5.704 1.00 51.03 O HETATM 1481 O HOH 50 21.495 1.276 32.365 1.00 73.69 O HETATM 1482 O HOH 51 12.773 -18.626 14.576 1.00 52.59 O HETATM 1483 O HOH 52 9.744 -15.032 7.117 1.00 44.51 O HETATM 1484 O HOH 53 27.892 19.276 11.413 1.00 74.75 O HETATM 1485 C1 LOJ A 54 19.796 -5.893 19.336 1.00 -0.04 C HETATM 1486 C2 LOJ A 54 20.035 -5.170 18.166 1.00 0.03 C HETATM 1487 C3 LOJ A 54 19.380 -3.960 17.910 1.00 -0.05 C HETATM 1488 C4 LOJ A 54 18.482 -3.453 18.860 1.00 -0.06 C HETATM 1489 C5 LOJ A 54 18.232 -4.151 20.079 1.00 -0.02 C HETATM 1490 C15 LOJ A 54 17.294 -3.525 21.075 1.00 0.04 C HETATM 1491 C11 LOJ A 54 15.890 -3.156 20.420 1.00 0.08 C HETATM 1492 O1 LOJ A 54 15.911 -1.811 19.978 1.00 -0.32 O HETATM 1493 C14 LOJ A 54 15.499 -0.937 20.985 1.00 0.11 C HETATM 1494 C10 LOJ A 54 14.467 -0.058 20.592 1.00 -0.04 C HETATM 1495 C9 LOJ A 54 13.858 0.824 21.491 1.00 -0.07 C HETATM 1496 C8 LOJ A 54 14.293 0.811 22.812 1.00 -0.01 C HETATM 1497 C7 LOJ A 54 15.327 -0.038 23.220 1.00 -0.04 C HETATM 1498 C13 LOJ A 54 15.974 -0.944 22.335 1.00 0.07 C HETATM 1499 N1 LOJ A 54 17.051 -1.786 22.783 1.00 -0.31 N HETATM 1500 C12 LOJ A 54 18.024 -2.387 21.844 1.00 0.04 C HETATM 1501 H8 LOJ A 54 18.382 -1.625 21.136 1.00 0.05 H HETATM 1502 H9 LOJ A 54 18.878 -2.799 22.402 1.00 0.05 H HETATM 1503 C17 LOJ A 54 17.496 -1.733 24.210 1.00 0.03 C HETATM 1504 C19 LOJ A 54 18.284 -0.476 24.632 1.00 -0.02 C HETATM 1505 C20 LOJ A 54 19.166 -0.523 25.866 1.00 -0.05 C HETATM 1506 C21 LOJ A 54 20.391 -0.657 24.938 1.00 -0.05 C HETATM 1507 C18 LOJ A 54 19.530 -0.158 23.792 1.00 -0.05 C HETATM 1508 H18 LOJ A 54 19.660 0.909 23.558 1.00 0.03 H HETATM 1509 H19 LOJ A 54 19.617 -0.749 22.868 1.00 0.03 H HETATM 1510 H14 LOJ A 54 20.758 -1.687 24.816 1.00 0.03 H HETATM 1511 H15 LOJ A 54 21.232 0.004 25.196 1.00 0.03 H HETATM 1512 H12 LOJ A 54 18.991 -1.393 26.517 1.00 0.03 H HETATM 1513 H13 LOJ A 54 19.152 0.396 26.470 1.00 0.03 H HETATM 1514 H11 LOJ A 54 17.567 0.358 24.669 1.00 0.03 H HETATM 1515 H16 LOJ A 54 16.599 -1.795 24.844 1.00 0.05 H HETATM 1516 H17 LOJ A 54 18.137 -2.608 24.394 1.00 0.05 H HETATM 1517 H3 LOJ A 54 15.649 -0.004 24.255 1.00 0.05 H HETATM 1518 C16 LOJ A 54 13.666 1.637 23.785 1.00 0.05 C HETATM 1519 O2 LOJ A 54 13.238 2.657 23.422 1.00 -0.56 O HETATM 1520 O3 LOJ A 54 13.597 1.183 25.064 1.00 -0.56 O HETATM 1521 H4 LOJ A 54 13.072 1.497 21.168 1.00 0.05 H HETATM 1522 H5 LOJ A 54 14.136 -0.067 19.560 1.00 0.05 H HETATM 1523 H6 LOJ A 54 15.093 -3.283 21.167 1.00 0.06 H HETATM 1524 H7 LOJ A 54 15.700 -3.820 19.564 1.00 0.06 H HETATM 1525 H10 LOJ A 54 17.071 -4.297 21.826 1.00 0.05 H HETATM 1526 C6 LOJ A 54 18.913 -5.381 20.280 1.00 0.04 C HETATM 1527 CL1 LOJ A 54 18.788 -6.339 21.718 1.00 -0.08 CL HETATM 1528 H20 LOJ A 54 17.970 -2.517 18.666 1.00 0.06 H HETATM 1529 H2 LOJ A 54 19.565 -3.421 16.988 1.00 0.06 H HETATM 1530 CL2 LOJ A 54 21.246 -5.584 16.964 1.00 -0.08 CL HETATM 1531 H1 LOJ A 54 20.293 -6.841 19.506 1.00 0.06 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 237 238 242 243 244 CONECT 242 237 CONECT 243 237 CONECT 244 237 CONECT 1485 1486 1526 1531 CONECT 1486 1485 1487 1530 CONECT 1487 1486 1488 1529 CONECT 1488 1487 1489 1528 CONECT 1489 1488 1490 1526 CONECT 1490 1489 1491 1500 1525 CONECT 1491 1490 1492 1523 1524 CONECT 1492 1491 1493 CONECT 1493 1492 1494 1498 CONECT 1494 1493 1495 1522 CONECT 1495 1494 1496 1521 CONECT 1496 1495 1497 1518 CONECT 1497 1496 1498 1517 CONECT 1498 1493 1497 1499 CONECT 1499 1498 1500 1503 CONECT 1500 1490 1499 1501 1502 CONECT 1501 1500 CONECT 1502 1500 CONECT 1503 1499 1504 1515 1516 CONECT 1504 1503 1505 1507 1514 CONECT 1505 1504 1506 1512 1513 CONECT 1506 1505 1507 1510 1511 CONECT 1507 1504 1506 1508 1509 CONECT 1508 1507 CONECT 1509 1507 CONECT 1510 1506 CONECT 1511 1506 CONECT 1512 1505 CONECT 1513 1505 CONECT 1514 1504 CONECT 1515 1503 CONECT 1516 1503 CONECT 1517 1497 CONECT 1518 1496 1519 1520 CONECT 1519 1518 CONECT 1520 1518 CONECT 1521 1495 CONECT 1522 1494 CONECT 1523 1491 CONECT 1524 1491 CONECT 1525 1490 CONECT 1526 1485 1489 1527 CONECT 1527 1526 CONECT 1528 1488 CONECT 1529 1487 CONECT 1530 1486 CONECT 1531 1485 MASTER 0 0 0 0 0 0 0 0 1529 2 55 12 END
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Structure:
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Related entries of code: 6o6g
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3wix
RCSB PDB
PDBbind
161aa, >3WIX_1|Chains... at 90%
3wiy
RCSB PDB
PDBbind
161aa, >3WIY_1|Chains... at 90%
4hw2
RCSB PDB
PDBbind
153aa, >4HW2_1|Chains... at 96%
4hw3
RCSB PDB
PDBbind
153aa, >4HW3_1|Chains... at 96%
4oq6
RCSB PDB
PDBbind
157aa, >4OQ6_1|Chains... at 92%
4wgi
RCSB PDB
PDBbind
518aa, >4WGI_1|Chain... *
4wmu
RCSB PDB
PDBbind
518aa, >4WMU_1|Chain... at 100%
4wmv
RCSB PDB
PDBbind
518aa, >4WMV_1|Chain... at 100%
4wmx
RCSB PDB
PDBbind
518aa, >4WMX_1|Chain... at 100%
4zbf
RCSB PDB
PDBbind
157aa, >4ZBF_1|Chains... at 93%
4zbi
RCSB PDB
PDBbind
157aa, >4ZBI_1|Chains... at 93%
5fdo
RCSB PDB
PDBbind
150aa, >5FDO_1|Chains... at 97%
5fdr
RCSB PDB
PDBbind
158aa, >5FDR_1|Chains... at 92%
5iez
RCSB PDB
PDBbind
159aa, >5IEZ_1|Chains... at 91%
5if4
RCSB PDB
PDBbind
159aa, >5IF4_1|Chains... at 91%
5vkc
RCSB PDB
PDBbind
157aa, >5VKC_1|Chains... at 92%
6b4l
RCSB PDB
PDBbind
157aa, >6B4L_1|Chains... at 92%
6b4u
RCSB PDB
PDBbind
157aa, >6B4U_1|Chain... at 92%
6bw2
RCSB PDB
PDBbind
158aa, >6BW2_1|Chains... at 92%
6bw8
RCSB PDB
PDBbind
158aa, >6BW8_1|Chains... at 92%
6dm8
RCSB PDB
PDBbind
518aa, >6DM8_1|Chains... at 96%
6fs1
RCSB PDB
PDBbind
150aa, >6FS1_1|Chains... at 92%
6qz7
RCSB PDB
PDBbind
518aa, >6QZ7_1|Chain... at 99%
6qyo
RCSB PDB
PDBbind
518aa, >6QYO_1|Chain... at 99%
6qyn
RCSB PDB
PDBbind
518aa, >6QYN_1|Chain... at 99%
6qyl
RCSB PDB
PDBbind
518aa, >6QYL_1|Chain... at 99%
6qyk
RCSB PDB
PDBbind
518aa, >6QYK_1|Chain... at 99%
6qxj
RCSB PDB
PDBbind
518aa, >6QXJ_1|Chain... at 99%
6p3p
RCSB PDB
PDBbind
157aa, >6P3P_1|Chain... at 92%
6oqn
RCSB PDB
PDBbind
157aa, >6OQN_1|Chains... at 92%
6oqd
RCSB PDB
PDBbind
157aa, >6OQD_1|Chain... at 92%
6oqc
RCSB PDB
PDBbind
157aa, >6OQC_1|Chains... at 92%
6oqb
RCSB PDB
PDBbind
157aa, >6OQB_1|Chain... at 92%
6o6f
RCSB PDB
PDBbind
158aa, >6O6F_1|Chains... at 92%
6ne5
RCSB PDB
PDBbind
159aa, >6NE5_1|Chains... at 91%
6ud2
RCSB PDB
PDBbind
157aa, >6UD2_1|Chain... at 92%
6udi
RCSB PDB
PDBbind
157aa, >6UDI_1|Chain... at 92%
6udt
RCSB PDB
PDBbind
157aa, >6UDT_1|Chain... at 92%
6udu
RCSB PDB
PDBbind
157aa, >6UDU_1|Chain... at 92%
6udv
RCSB PDB
PDBbind
157aa, >6UDV_1|Chain... at 92%
6udx
RCSB PDB
PDBbind
157aa, >6UDX_1|Chains... at 92%
6udy
RCSB PDB
PDBbind
157aa, >6UDY_1|Chains... at 92%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6o6g
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Induced myeloid leukemia cell differentiation protein Mcl-1
Ligand Name
LOJ
EC.Number
E.C.-.-.-.-
Resolution
2.4(Å)
Affinity (Kd/Ki/IC50)
IC50=0.3uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Cancer Discov Vol. 8: pp. 1582-1597
Ligand Properties
Formula
C
2
1
H
2
1
Cl
2
NO
3
Molecular Weight
406.302
Exact Mass
405.090
No. of atoms
48
No. of bonds
51
Polar Surface Area
49.77
LOGP Value
6.69 (
Computed with XLOGP3
)
5.54 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 4
Canonical SMILES
Clc1ccc(c(c1)Cl)[C@@H]1COc2c(N(C1)CC1CCC1)cc(cc2)C(=O)O
InChI String
InChI=1S/C21H21Cl2NO3/c22-16-5-6-17(18(23)9-16)15-11-24(10-13-2-1-3-13)19-8-14(21(25)26)4-7-20(19)27-12-15/h4-9,13,15H,1-3,10-12H2,(H,25,26)/t15-/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):
Q07820
Entrez Gene ID
NCBI Entrez Gene ID:
4170
ASD
Information of known allosteric effects of PDB entries
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