Browse entries in the PDBbind-CN Database
HEADER 5J18_COMPLEX COMPND 5J18_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 82 SER PRO GLN LYS PRO ILE VAL ARG VAL PHE LEU PRO ASN SEQRES 2 A 82 LYS GLN ARG THR VAL VAL PRO ALA ARG CYS GLY VAL THR SEQRES 3 A 82 VAL ARG ASP SER LEU LYS LYS ALA LEU MET MET ARG GLY SEQRES 4 A 82 LEU ILE PRO GLU CYS CYS ALA VAL TYR ARG ILE GLN ASP SEQRES 5 A 82 GLY GLU LYS LYS PRO ILE GLY TRP ASP THR ASP ILE SER SEQRES 6 A 82 TRP LEU THR GLY GLU GLU LEU HIS VAL GLU VAL LEU GLU SEQRES 7 A 82 ASN VAL PRO LEU HET UNN A 83 57 ATOM 1 N SER A 151 24.475 2.300 -3.688 1.00 5.02 N ATOM 2 CA SER A 151 24.654 1.009 -2.995 1.00 4.35 C ATOM 3 C SER A 151 23.337 0.238 -2.956 1.00 3.18 C ATOM 4 O SER A 151 22.273 0.827 -2.751 1.00 3.19 O ATOM 5 CB SER A 151 25.184 1.248 -1.576 1.00 5.00 C ATOM 6 OG SER A 151 24.445 2.263 -0.913 1.00 5.63 O ATOM 7 HG SER A 151 23.495 1.992 -0.853 1.00 0.00 H ATOM 8 HN3 SER A 151 23.765 2.868 -3.183 1.00 0.00 H ATOM 9 HN2 SER A 151 24.154 2.128 -4.662 1.00 0.00 H ATOM 10 HN1 SER A 151 25.381 2.811 -3.705 1.00 0.00 H ATOM 11 N PRO A 152 23.389 -1.089 -3.175 1.00 2.66 N ATOM 12 CA PRO A 152 22.198 -1.949 -3.187 1.00 2.06 C ATOM 13 C PRO A 152 21.576 -2.121 -1.801 1.00 1.62 C ATOM 14 O PRO A 152 21.689 -3.176 -1.178 1.00 1.74 O ATOM 15 CB PRO A 152 22.739 -3.285 -3.703 1.00 2.74 C ATOM 16 CG PRO A 152 24.174 -3.281 -3.318 1.00 3.37 C ATOM 17 CD PRO A 152 24.619 -1.857 -3.447 1.00 3.38 C ATOM 18 N GLN A 153 20.938 -1.069 -1.318 1.00 1.46 N ATOM 19 CA GLN A 153 20.237 -1.109 -0.045 1.00 1.24 C ATOM 20 C GLN A 153 18.836 -1.668 -0.232 1.00 0.99 C ATOM 21 O GLN A 153 18.282 -1.603 -1.332 1.00 1.20 O ATOM 22 CB GLN A 153 20.167 0.282 0.571 1.00 1.63 C ATOM 23 CG GLN A 153 21.524 0.813 0.984 1.00 2.17 C ATOM 24 CD GLN A 153 21.473 2.254 1.446 1.00 2.74 C ATOM 25 OE1 GLN A 153 20.476 2.706 2.014 1.00 3.30 O ATOM 26 NE2 GLN A 153 22.540 2.991 1.192 1.00 3.28 N ATOM 27 HE22 GLN A 153 23.360 2.570 0.711 1.00 0.00 H ATOM 28 HE21 GLN A 153 22.560 3.992 1.474 1.00 0.00 H ATOM 29 H GLN A 153 20.937 -0.185 -1.866 1.00 0.00 H ATOM 30 N LYS A 154 18.281 -2.246 0.823 1.00 0.80 N ATOM 31 CA LYS A 154 16.925 -2.770 0.777 1.00 0.67 C ATOM 32 C LYS A 154 15.959 -1.805 1.463 1.00 0.54 C ATOM 33 O LYS A 154 15.789 -1.848 2.681 1.00 0.62 O ATOM 34 CB LYS A 154 16.859 -4.145 1.450 1.00 0.87 C ATOM 35 CG LYS A 154 15.497 -4.822 1.350 1.00 0.98 C ATOM 36 CD LYS A 154 15.106 -5.105 -0.089 1.00 1.30 C ATOM 37 CE LYS A 154 16.057 -6.090 -0.750 1.00 1.78 C ATOM 38 NZ LYS A 154 15.697 -6.340 -2.166 1.00 2.33 N ATOM 39 HZ1 LYS A 154 14.735 -6.733 -2.214 1.00 0.00 H ATOM 40 HZ2 LYS A 154 15.734 -5.445 -2.695 1.00 0.00 H ATOM 41 HZ3 LYS A 154 16.370 -7.017 -2.579 1.00 0.00 H ATOM 42 H LYS A 154 18.827 -2.327 1.704 1.00 0.00 H ATOM 43 N PRO A 155 15.329 -0.906 0.696 1.00 0.42 N ATOM 44 CA PRO A 155 14.345 0.036 1.226 1.00 0.38 C ATOM 45 C PRO A 155 12.953 -0.583 1.283 1.00 0.33 C ATOM 46 O PRO A 155 12.663 -1.535 0.552 1.00 0.33 O ATOM 47 CB PRO A 155 14.390 1.140 0.187 1.00 0.40 C ATOM 48 CG PRO A 155 14.544 0.388 -1.081 1.00 0.39 C ATOM 49 CD PRO A 155 15.511 -0.720 -0.761 1.00 0.43 C ATOM 50 N ILE A 156 12.087 -0.046 2.127 1.00 0.33 N ATOM 51 CA ILE A 156 10.752 -0.596 2.281 1.00 0.29 C ATOM 52 C ILE A 156 9.695 0.489 2.452 1.00 0.29 C ATOM 53 O ILE A 156 9.980 1.596 2.906 1.00 0.37 O ATOM 54 CB ILE A 156 10.672 -1.587 3.463 1.00 0.31 C ATOM 55 CG1 ILE A 156 11.411 -1.053 4.693 1.00 0.38 C ATOM 56 CG2 ILE A 156 11.214 -2.949 3.065 1.00 0.37 C ATOM 57 CD1 ILE A 156 10.563 -0.170 5.583 1.00 0.79 C ATOM 58 H ILE A 156 12.367 0.783 2.689 1.00 0.00 H ATOM 59 N VAL A 157 8.483 0.157 2.051 1.00 0.25 N ATOM 60 CA VAL A 157 7.324 0.997 2.254 1.00 0.27 C ATOM 61 C VAL A 157 6.198 0.163 2.867 1.00 0.21 C ATOM 62 O VAL A 157 5.858 -0.916 2.374 1.00 0.25 O ATOM 63 CB VAL A 157 6.874 1.696 0.944 1.00 0.38 C ATOM 64 CG1 VAL A 157 7.171 0.854 -0.290 1.00 1.05 C ATOM 65 CG2 VAL A 157 5.404 2.061 1.019 1.00 0.91 C ATOM 66 H VAL A 157 8.355 -0.754 1.565 1.00 0.00 H ATOM 67 N ARG A 158 5.666 0.651 3.975 1.00 0.21 N ATOM 68 CA ARG A 158 4.672 -0.072 4.747 1.00 0.21 C ATOM 69 C ARG A 158 3.271 0.351 4.349 1.00 0.21 C ATOM 70 O ARG A 158 2.940 1.532 4.351 1.00 0.32 O ATOM 71 CB ARG A 158 4.877 0.179 6.237 1.00 0.26 C ATOM 72 CG ARG A 158 6.279 -0.171 6.715 1.00 0.29 C ATOM 73 CD ARG A 158 6.437 -0.006 8.220 1.00 0.49 C ATOM 74 NE ARG A 158 6.212 1.368 8.666 1.00 1.36 N ATOM 75 CZ ARG A 158 7.170 2.172 9.131 1.00 1.81 C ATOM 76 NH1 ARG A 158 8.437 1.772 9.159 1.00 1.70 N ATOM 77 NH2 ARG A 158 6.856 3.384 9.568 1.00 2.87 N ATOM 78 HE ARG A 158 5.243 1.743 8.618 1.00 0.00 H ATOM 79 HH12 ARG A 158 9.175 2.408 9.524 1.00 0.00 H ATOM 80 HH11 ARG A 158 8.691 0.823 8.816 1.00 0.00 H ATOM 81 HH22 ARG A 158 7.599 4.014 9.931 1.00 0.00 H ATOM 82 HH21 ARG A 158 5.867 3.704 9.547 1.00 0.00 H ATOM 83 H ARG A 158 5.971 1.588 4.306 1.00 0.00 H ATOM 84 N VAL A 159 2.457 -0.619 4.003 1.00 0.20 N ATOM 85 CA VAL A 159 1.085 -0.353 3.598 1.00 0.21 C ATOM 86 C VAL A 159 0.100 -0.821 4.657 1.00 0.23 C ATOM 87 O VAL A 159 0.101 -1.985 5.035 1.00 0.36 O ATOM 88 CB VAL A 159 0.728 -1.070 2.290 1.00 0.28 C ATOM 89 CG1 VAL A 159 -0.523 -0.468 1.687 1.00 0.42 C ATOM 90 CG2 VAL A 159 1.887 -1.033 1.300 1.00 0.35 C ATOM 91 H VAL A 159 2.801 -1.600 4.019 1.00 0.00 H ATOM 92 N PHE A 160 -0.747 0.073 5.124 1.00 0.22 N ATOM 93 CA PHE A 160 -1.796 -0.301 6.059 1.00 0.22 C ATOM 94 C PHE A 160 -2.934 -1.010 5.319 1.00 0.24 C ATOM 95 O PHE A 160 -3.725 -0.363 4.636 1.00 0.28 O ATOM 96 CB PHE A 160 -2.341 0.942 6.768 1.00 0.25 C ATOM 97 CG PHE A 160 -1.463 1.478 7.869 1.00 0.30 C ATOM 98 CD1 PHE A 160 -0.244 2.080 7.589 1.00 0.38 C ATOM 99 CD2 PHE A 160 -1.877 1.403 9.189 1.00 0.48 C ATOM 100 CE1 PHE A 160 0.542 2.591 8.605 1.00 0.46 C ATOM 101 CE2 PHE A 160 -1.093 1.908 10.209 1.00 0.58 C ATOM 102 CZ PHE A 160 0.117 2.504 9.916 1.00 0.51 C ATOM 103 H PHE A 160 -0.664 1.064 4.819 1.00 0.00 H ATOM 104 N LEU A 161 -2.991 -2.336 5.434 1.00 0.27 N ATOM 105 CA LEU A 161 -4.075 -3.123 4.828 1.00 0.33 C ATOM 106 C LEU A 161 -5.431 -2.761 5.426 1.00 0.33 C ATOM 107 O LEU A 161 -5.514 -2.185 6.516 1.00 0.37 O ATOM 108 CB LEU A 161 -3.895 -4.647 5.021 1.00 0.49 C ATOM 109 CG LEU A 161 -2.556 -5.262 4.617 1.00 0.72 C ATOM 110 CD1 LEU A 161 -1.900 -4.450 3.534 1.00 1.46 C ATOM 111 CD2 LEU A 161 -1.652 -5.395 5.821 1.00 0.98 C ATOM 112 H LEU A 161 -2.247 -2.829 5.968 1.00 0.00 H ATOM 113 N PRO A 162 -6.510 -3.113 4.706 1.00 0.38 N ATOM 114 CA PRO A 162 -7.873 -3.074 5.232 1.00 0.43 C ATOM 115 C PRO A 162 -7.969 -3.732 6.605 1.00 0.42 C ATOM 116 O PRO A 162 -7.176 -4.619 6.928 1.00 0.40 O ATOM 117 CB PRO A 162 -8.667 -3.891 4.215 1.00 0.49 C ATOM 118 CG PRO A 162 -7.915 -3.763 2.935 1.00 0.50 C ATOM 119 CD PRO A 162 -6.470 -3.539 3.299 1.00 0.46 C ATOM 120 N ASN A 163 -8.944 -3.299 7.398 1.00 0.51 N ATOM 121 CA ASN A 163 -9.126 -3.784 8.770 1.00 0.54 C ATOM 122 C ASN A 163 -8.019 -3.266 9.678 1.00 0.48 C ATOM 123 O ASN A 163 -7.786 -3.812 10.756 1.00 0.53 O ATOM 124 CB ASN A 163 -9.187 -5.317 8.842 1.00 0.60 C ATOM 125 CG ASN A 163 -10.484 -5.891 8.308 1.00 1.26 C ATOM 126 OD1 ASN A 163 -11.104 -5.338 7.399 1.00 2.08 O ATOM 127 ND2 ASN A 163 -10.905 -7.010 8.875 1.00 1.86 N ATOM 128 HD22 ASN A 163 -10.351 -7.445 9.640 1.00 0.00 H ATOM 129 HD21 ASN A 163 -11.789 -7.454 8.555 1.00 0.00 H ATOM 130 H ASN A 163 -9.606 -2.586 7.030 1.00 0.00 H ATOM 131 N LYS A 164 -7.335 -2.216 9.223 1.00 0.48 N ATOM 132 CA LYS A 164 -6.338 -1.510 10.028 1.00 0.52 C ATOM 133 C LYS A 164 -5.107 -2.377 10.306 1.00 0.44 C ATOM 134 O LYS A 164 -4.526 -2.322 11.389 1.00 0.52 O ATOM 135 CB LYS A 164 -6.960 -1.032 11.344 1.00 0.69 C ATOM 136 CG LYS A 164 -8.183 -0.155 11.143 1.00 0.88 C ATOM 137 CD LYS A 164 -7.820 1.249 10.681 1.00 1.22 C ATOM 138 CE LYS A 164 -7.010 1.987 11.732 1.00 2.04 C ATOM 139 NZ LYS A 164 -6.929 3.444 11.449 1.00 2.74 N ATOM 140 HZ1 LYS A 164 -6.475 3.592 10.525 1.00 0.00 H ATOM 141 HZ2 LYS A 164 -7.888 3.847 11.434 1.00 0.00 H ATOM 142 HZ3 LYS A 164 -6.368 3.909 12.191 1.00 0.00 H ATOM 143 H LYS A 164 -7.518 -1.885 8.254 1.00 0.00 H ATOM 144 N GLN A 165 -4.718 -3.186 9.328 1.00 0.36 N ATOM 145 CA GLN A 165 -3.498 -3.983 9.426 1.00 0.37 C ATOM 146 C GLN A 165 -2.377 -3.226 8.754 1.00 0.33 C ATOM 147 O GLN A 165 -2.610 -2.176 8.168 1.00 0.38 O ATOM 148 CB GLN A 165 -3.688 -5.335 8.732 1.00 0.42 C ATOM 149 CG GLN A 165 -5.130 -5.818 8.701 1.00 0.50 C ATOM 150 CD GLN A 165 -5.667 -6.314 10.043 1.00 0.66 C ATOM 151 OE1 GLN A 165 -6.529 -7.193 10.083 1.00 1.33 O ATOM 152 NE2 GLN A 165 -5.184 -5.760 11.143 1.00 1.33 N ATOM 153 HE22 GLN A 165 -4.456 -5.020 11.076 1.00 0.00 H ATOM 154 HE21 GLN A 165 -5.532 -6.065 12.075 1.00 0.00 H ATOM 155 H GLN A 165 -5.298 -3.254 8.468 1.00 0.00 H ATOM 156 N ARG A 166 -1.164 -3.733 8.835 1.00 0.34 N ATOM 157 CA ARG A 166 -0.074 -3.099 8.136 1.00 0.32 C ATOM 158 C ARG A 166 0.960 -4.105 7.666 1.00 0.41 C ATOM 159 O ARG A 166 1.431 -4.947 8.430 1.00 0.79 O ATOM 160 CB ARG A 166 0.582 -2.028 8.988 1.00 0.40 C ATOM 161 CG ARG A 166 1.482 -1.148 8.188 1.00 0.95 C ATOM 162 CD ARG A 166 2.328 -0.266 9.074 1.00 0.96 C ATOM 163 NE ARG A 166 3.025 -1.011 10.117 1.00 1.54 N ATOM 164 CZ ARG A 166 3.766 -0.438 11.064 1.00 1.82 C ATOM 165 NH1 ARG A 166 3.954 0.876 11.063 1.00 1.62 N ATOM 166 NH2 ARG A 166 4.337 -1.182 12.001 1.00 2.49 N ATOM 167 HE ARG A 166 2.938 -2.047 10.121 1.00 0.00 H ATOM 168 HH12 ARG A 166 4.533 1.319 11.804 1.00 0.00 H ATOM 169 HH11 ARG A 166 3.522 1.463 10.321 1.00 0.00 H ATOM 170 HH22 ARG A 166 4.915 -0.734 12.740 1.00 0.00 H ATOM 171 HH21 ARG A 166 4.207 -2.214 11.997 1.00 0.00 H ATOM 172 H ARG A 166 -0.993 -4.588 9.402 1.00 0.00 H ATOM 173 N THR A 167 1.287 -3.998 6.395 1.00 0.25 N ATOM 174 CA THR A 167 2.292 -4.819 5.761 1.00 0.27 C ATOM 175 C THR A 167 3.524 -3.980 5.479 1.00 0.25 C ATOM 176 O THR A 167 3.529 -2.771 5.712 1.00 0.31 O ATOM 177 CB THR A 167 1.772 -5.385 4.419 1.00 0.35 C ATOM 178 OG1 THR A 167 2.647 -6.394 3.911 1.00 0.50 O ATOM 179 CG2 THR A 167 1.646 -4.284 3.398 1.00 0.52 C ATOM 180 HG1 THR A 167 2.709 -7.135 4.565 1.00 0.00 H ATOM 181 H THR A 167 0.796 -3.286 5.818 1.00 0.00 H ATOM 182 N VAL A 168 4.561 -4.623 4.974 1.00 0.25 N ATOM 183 CA VAL A 168 5.738 -3.924 4.507 1.00 0.27 C ATOM 184 C VAL A 168 6.247 -4.599 3.252 1.00 0.25 C ATOM 185 O VAL A 168 6.441 -5.815 3.225 1.00 0.30 O ATOM 186 CB VAL A 168 6.878 -3.926 5.531 1.00 0.39 C ATOM 187 CG1 VAL A 168 7.935 -2.904 5.147 1.00 0.73 C ATOM 188 CG2 VAL A 168 6.361 -3.686 6.939 1.00 0.88 C ATOM 189 H VAL A 168 4.531 -5.661 4.910 1.00 0.00 H ATOM 190 N VAL A 169 6.463 -3.814 2.229 1.00 0.26 N ATOM 191 CA VAL A 169 7.032 -4.311 0.989 1.00 0.26 C ATOM 192 C VAL A 169 8.266 -3.506 0.637 1.00 0.28 C ATOM 193 O VAL A 169 8.282 -2.289 0.806 1.00 0.29 O ATOM 194 CB VAL A 169 6.035 -4.237 -0.191 1.00 0.32 C ATOM 195 CG1 VAL A 169 4.969 -5.312 -0.068 1.00 1.17 C ATOM 196 CG2 VAL A 169 5.397 -2.860 -0.280 1.00 1.31 C ATOM 197 H VAL A 169 6.221 -2.806 2.306 1.00 0.00 H ATOM 198 N PRO A 170 9.336 -4.170 0.188 1.00 0.31 N ATOM 199 CA PRO A 170 10.500 -3.479 -0.355 1.00 0.32 C ATOM 200 C PRO A 170 10.077 -2.534 -1.466 1.00 0.28 C ATOM 201 O PRO A 170 9.152 -2.843 -2.219 1.00 0.33 O ATOM 202 CB PRO A 170 11.367 -4.610 -0.911 1.00 0.40 C ATOM 203 CG PRO A 170 10.964 -5.815 -0.137 1.00 0.59 C ATOM 204 CD PRO A 170 9.506 -5.633 0.187 1.00 0.39 C ATOM 205 N ALA A 171 10.721 -1.379 -1.549 1.00 0.24 N ATOM 206 CA ALA A 171 10.409 -0.417 -2.595 1.00 0.21 C ATOM 207 C ALA A 171 10.814 -0.977 -3.944 1.00 0.24 C ATOM 208 O ALA A 171 11.898 -0.700 -4.459 1.00 0.35 O ATOM 209 CB ALA A 171 11.088 0.909 -2.334 1.00 0.21 C ATOM 210 H ALA A 171 11.462 -1.156 -0.854 1.00 0.00 H ATOM 211 N ARG A 172 9.926 -1.782 -4.486 1.00 0.26 N ATOM 212 CA ARG A 172 10.164 -2.504 -5.712 1.00 0.29 C ATOM 213 C ARG A 172 10.278 -1.553 -6.896 1.00 0.27 C ATOM 214 O ARG A 172 9.298 -0.929 -7.306 1.00 0.27 O ATOM 215 CB ARG A 172 9.023 -3.501 -5.911 1.00 0.33 C ATOM 216 CG ARG A 172 9.026 -4.642 -4.904 1.00 0.46 C ATOM 217 CD ARG A 172 10.287 -5.486 -5.005 1.00 0.56 C ATOM 218 NE ARG A 172 10.397 -6.155 -6.302 1.00 1.33 N ATOM 219 CZ ARG A 172 11.496 -6.150 -7.060 1.00 1.81 C ATOM 220 NH1 ARG A 172 12.576 -5.479 -6.678 1.00 1.58 N ATOM 221 NH2 ARG A 172 11.507 -6.806 -8.212 1.00 2.81 N ATOM 222 HE ARG A 172 9.565 -6.668 -6.656 1.00 0.00 H ATOM 223 HH12 ARG A 172 13.428 -5.481 -7.275 1.00 0.00 H ATOM 224 HH11 ARG A 172 12.570 -4.952 -5.782 1.00 0.00 H ATOM 225 HH22 ARG A 172 12.362 -6.803 -8.804 1.00 0.00 H ATOM 226 HH21 ARG A 172 10.660 -7.323 -8.524 1.00 0.00 H ATOM 227 H ARG A 172 9.010 -1.904 -4.009 1.00 0.00 H ATOM 228 N CYS A 173 11.483 -1.449 -7.438 1.00 0.30 N ATOM 229 CA CYS A 173 11.745 -0.570 -8.565 1.00 0.32 C ATOM 230 C CYS A 173 11.243 -1.198 -9.856 1.00 0.31 C ATOM 231 O CYS A 173 11.481 -2.379 -10.118 1.00 0.41 O ATOM 232 CB CYS A 173 13.242 -0.264 -8.653 1.00 0.40 C ATOM 233 SG CYS A 173 14.297 -1.730 -8.683 1.00 1.44 S ATOM 234 H CYS A 173 12.264 -2.013 -7.045 1.00 0.00 H ATOM 235 N GLY A 174 10.530 -0.411 -10.648 1.00 0.30 N ATOM 236 CA GLY A 174 9.935 -0.930 -11.860 1.00 0.33 C ATOM 237 C GLY A 174 8.703 -1.751 -11.554 1.00 0.30 C ATOM 238 O GLY A 174 8.246 -2.545 -12.380 1.00 0.43 O ATOM 239 H GLY A 174 10.397 0.589 -10.396 1.00 0.00 H ATOM 240 N VAL A 175 8.175 -1.563 -10.354 1.00 0.25 N ATOM 241 CA VAL A 175 7.008 -2.294 -9.898 1.00 0.28 C ATOM 242 C VAL A 175 5.890 -1.340 -9.524 1.00 0.26 C ATOM 243 O VAL A 175 6.104 -0.346 -8.828 1.00 0.35 O ATOM 244 CB VAL A 175 7.344 -3.204 -8.696 1.00 0.35 C ATOM 245 CG1 VAL A 175 6.075 -3.684 -7.997 1.00 0.69 C ATOM 246 CG2 VAL A 175 8.136 -4.408 -9.164 1.00 0.97 C ATOM 247 H VAL A 175 8.612 -0.867 -9.717 1.00 0.00 H ATOM 248 N THR A 176 4.701 -1.645 -9.999 1.00 0.22 N ATOM 249 CA THR A 176 3.540 -0.849 -9.693 1.00 0.25 C ATOM 250 C THR A 176 2.946 -1.261 -8.351 1.00 0.23 C ATOM 251 O THR A 176 3.172 -2.393 -7.886 1.00 0.25 O ATOM 252 CB THR A 176 2.479 -0.989 -10.796 1.00 0.31 C ATOM 253 OG1 THR A 176 2.334 -2.367 -11.156 1.00 0.47 O ATOM 254 CG2 THR A 176 2.859 -0.183 -12.026 1.00 0.40 C ATOM 255 HG1 THR A 176 1.650 -2.451 -11.866 1.00 0.00 H ATOM 256 H THR A 176 4.597 -2.480 -10.610 1.00 0.00 H ATOM 257 N VAL A 177 2.221 -0.343 -7.719 1.00 0.25 N ATOM 258 CA VAL A 177 1.555 -0.619 -6.457 1.00 0.27 C ATOM 259 C VAL A 177 0.845 -1.965 -6.506 1.00 0.24 C ATOM 260 O VAL A 177 1.025 -2.790 -5.617 1.00 0.28 O ATOM 261 CB VAL A 177 0.533 0.489 -6.119 1.00 0.34 C ATOM 262 CG1 VAL A 177 -0.174 0.200 -4.805 1.00 1.20 C ATOM 263 CG2 VAL A 177 1.217 1.842 -6.064 1.00 1.39 C ATOM 264 H VAL A 177 2.127 0.603 -8.141 1.00 0.00 H ATOM 265 N ARG A 178 0.097 -2.199 -7.582 1.00 0.23 N ATOM 266 CA ARG A 178 -0.725 -3.400 -7.705 1.00 0.26 C ATOM 267 C ARG A 178 0.037 -4.682 -7.395 1.00 0.23 C ATOM 268 O ARG A 178 -0.477 -5.533 -6.692 1.00 0.33 O ATOM 269 CB ARG A 178 -1.366 -3.504 -9.079 1.00 0.39 C ATOM 270 CG ARG A 178 -0.389 -3.392 -10.221 1.00 0.85 C ATOM 271 CD ARG A 178 -0.941 -2.465 -11.269 1.00 1.65 C ATOM 272 NE ARG A 178 -2.060 -3.062 -11.997 1.00 2.02 N ATOM 273 CZ ARG A 178 -3.131 -2.385 -12.404 1.00 2.82 C ATOM 274 NH1 ARG A 178 -3.222 -1.079 -12.179 1.00 3.53 N ATOM 275 NH2 ARG A 178 -4.106 -3.012 -13.048 1.00 3.28 N ATOM 276 HE ARG A 178 -2.016 -4.079 -12.210 1.00 0.00 H ATOM 277 HH12 ARG A 178 -4.061 -0.553 -12.499 1.00 0.00 H ATOM 278 HH11 ARG A 178 -2.455 -0.582 -11.683 1.00 0.00 H ATOM 279 HH22 ARG A 178 -4.943 -2.483 -13.366 1.00 0.00 H ATOM 280 HH21 ARG A 178 -4.034 -4.033 -13.235 1.00 0.00 H ATOM 281 H ARG A 178 0.098 -1.506 -8.358 1.00 0.00 H ATOM 282 N ASP A 179 1.259 -4.817 -7.893 1.00 0.20 N ATOM 283 CA ASP A 179 2.019 -6.047 -7.699 1.00 0.19 C ATOM 284 C ASP A 179 2.480 -6.144 -6.261 1.00 0.17 C ATOM 285 O ASP A 179 2.250 -7.146 -5.567 1.00 0.18 O ATOM 286 CB ASP A 179 3.241 -6.074 -8.621 1.00 0.23 C ATOM 287 CG ASP A 179 3.991 -7.393 -8.564 1.00 0.32 C ATOM 288 OD1 ASP A 179 3.790 -8.235 -9.464 1.00 1.12 O ATOM 289 OD2 ASP A 179 4.788 -7.596 -7.622 1.00 1.19 O ATOM 290 H ASP A 179 1.682 -4.033 -8.430 1.00 0.00 H ATOM 291 N SER A 180 3.090 -5.069 -5.815 1.00 0.17 N ATOM 292 CA SER A 180 3.704 -5.021 -4.511 1.00 0.18 C ATOM 293 C SER A 180 2.664 -5.237 -3.426 1.00 0.17 C ATOM 294 O SER A 180 2.805 -6.107 -2.553 1.00 0.19 O ATOM 295 CB SER A 180 4.400 -3.671 -4.373 1.00 0.22 C ATOM 296 OG SER A 180 3.693 -2.668 -5.081 1.00 1.34 O ATOM 297 HG SER A 180 3.651 -2.910 -6.040 1.00 0.00 H ATOM 298 H SER A 180 3.131 -4.226 -6.422 1.00 0.00 H ATOM 299 N LEU A 181 1.587 -4.490 -3.497 1.00 0.17 N ATOM 300 CA LEU A 181 0.609 -4.575 -2.461 1.00 0.18 C ATOM 301 C LEU A 181 -0.485 -5.616 -2.746 1.00 0.18 C ATOM 302 O LEU A 181 -1.304 -5.877 -1.875 1.00 0.20 O ATOM 303 CB LEU A 181 0.084 -3.175 -2.108 1.00 0.24 C ATOM 304 CG LEU A 181 -1.185 -2.639 -2.778 1.00 0.35 C ATOM 305 CD1 LEU A 181 -1.398 -3.183 -4.166 1.00 1.08 C ATOM 306 CD2 LEU A 181 -2.387 -2.889 -1.895 1.00 0.96 C ATOM 307 H LEU A 181 1.448 -3.843 -4.299 1.00 0.00 H ATOM 308 N LYS A 182 -0.513 -6.248 -3.932 1.00 0.18 N ATOM 309 CA LYS A 182 -1.418 -7.392 -4.077 1.00 0.22 C ATOM 310 C LYS A 182 -0.882 -8.519 -3.222 1.00 0.22 C ATOM 311 O LYS A 182 -1.640 -9.324 -2.683 1.00 0.25 O ATOM 312 CB LYS A 182 -1.618 -7.866 -5.521 1.00 0.32 C ATOM 313 CG LYS A 182 -0.401 -8.511 -6.153 1.00 0.75 C ATOM 314 CD LYS A 182 -0.736 -9.153 -7.494 1.00 0.76 C ATOM 315 CE LYS A 182 -1.307 -8.151 -8.489 1.00 0.80 C ATOM 316 NZ LYS A 182 -1.776 -8.811 -9.739 1.00 1.15 N ATOM 317 HZ1 LYS A 182 -0.978 -9.300 -10.192 1.00 0.00 H ATOM 318 HZ2 LYS A 182 -2.520 -9.500 -9.508 1.00 0.00 H ATOM 319 HZ3 LYS A 182 -2.157 -8.092 -10.387 1.00 0.00 H ATOM 320 H LYS A 182 0.088 -5.935 -4.721 1.00 0.00 H ATOM 321 N LYS A 183 0.442 -8.556 -3.088 1.00 0.22 N ATOM 322 CA LYS A 183 1.066 -9.414 -2.101 1.00 0.25 C ATOM 323 C LYS A 183 0.626 -8.974 -0.713 1.00 0.23 C ATOM 324 O LYS A 183 0.288 -9.800 0.131 1.00 0.26 O ATOM 325 CB LYS A 183 2.580 -9.348 -2.184 1.00 0.33 C ATOM 326 CG LYS A 183 3.236 -10.315 -1.223 1.00 0.40 C ATOM 327 CD LYS A 183 3.379 -11.700 -1.825 1.00 1.18 C ATOM 328 CE LYS A 183 4.753 -11.892 -2.441 1.00 1.31 C ATOM 329 NZ LYS A 183 4.951 -11.061 -3.659 1.00 1.80 N ATOM 330 HZ1 LYS A 183 4.240 -11.319 -4.373 1.00 0.00 H ATOM 331 HZ2 LYS A 183 4.847 -10.056 -3.412 1.00 0.00 H ATOM 332 HZ3 LYS A 183 5.904 -11.229 -4.041 1.00 0.00 H ATOM 333 H LYS A 183 1.036 -7.961 -3.700 1.00 0.00 H ATOM 334 N ALA A 184 0.640 -7.658 -0.493 1.00 0.23 N ATOM 335 CA ALA A 184 0.194 -7.076 0.772 1.00 0.26 C ATOM 336 C ALA A 184 -1.180 -7.607 1.192 1.00 0.25 C ATOM 337 O ALA A 184 -1.354 -8.046 2.331 1.00 0.29 O ATOM 338 CB ALA A 184 0.166 -5.565 0.660 1.00 0.30 C ATOM 339 H ALA A 184 0.979 -7.026 -1.246 1.00 0.00 H ATOM 340 N LEU A 185 -2.151 -7.565 0.276 1.00 0.23 N ATOM 341 CA LEU A 185 -3.478 -8.122 0.553 1.00 0.26 C ATOM 342 C LEU A 185 -3.375 -9.603 0.894 1.00 0.24 C ATOM 343 O LEU A 185 -3.873 -10.048 1.928 1.00 0.27 O ATOM 344 CB LEU A 185 -4.440 -7.958 -0.638 1.00 0.31 C ATOM 345 CG LEU A 185 -5.103 -6.585 -0.830 1.00 0.50 C ATOM 346 CD1 LEU A 185 -5.586 -6.002 0.485 1.00 1.46 C ATOM 347 CD2 LEU A 185 -4.174 -5.622 -1.530 1.00 1.11 C ATOM 348 H LEU A 185 -1.962 -7.130 -0.649 1.00 0.00 H ATOM 349 N MET A 186 -2.707 -10.353 0.027 1.00 0.22 N ATOM 350 CA MET A 186 -2.604 -11.805 0.155 1.00 0.26 C ATOM 351 C MET A 186 -1.923 -12.227 1.455 1.00 0.29 C ATOM 352 O MET A 186 -2.166 -13.320 1.963 1.00 0.34 O ATOM 353 CB MET A 186 -1.845 -12.373 -1.037 1.00 0.30 C ATOM 354 CG MET A 186 -2.630 -12.323 -2.338 1.00 0.35 C ATOM 355 SD MET A 186 -3.826 -13.667 -2.480 1.00 0.98 S ATOM 356 CE MET A 186 -4.511 -13.340 -4.103 1.00 1.45 C ATOM 357 H MET A 186 -2.238 -9.889 -0.776 1.00 0.00 H ATOM 358 N MET A 187 -1.084 -11.361 2.004 1.00 0.30 N ATOM 359 CA MET A 187 -0.383 -11.662 3.249 1.00 0.37 C ATOM 360 C MET A 187 -1.325 -11.549 4.444 1.00 0.40 C ATOM 361 O MET A 187 -1.043 -12.061 5.527 1.00 0.53 O ATOM 362 CB MET A 187 0.829 -10.747 3.422 1.00 0.44 C ATOM 363 CG MET A 187 1.976 -11.085 2.480 1.00 0.49 C ATOM 364 SD MET A 187 2.661 -12.726 2.788 1.00 0.72 S ATOM 365 CE MET A 187 4.103 -12.697 1.726 1.00 0.85 C ATOM 366 H MET A 187 -0.921 -10.446 1.538 1.00 0.00 H ATOM 367 N ARG A 188 -2.441 -10.869 4.237 1.00 0.35 N ATOM 368 CA ARG A 188 -3.512 -10.816 5.211 1.00 0.41 C ATOM 369 C ARG A 188 -4.553 -11.874 4.885 1.00 0.41 C ATOM 370 O ARG A 188 -5.345 -12.282 5.734 1.00 0.50 O ATOM 371 CB ARG A 188 -4.168 -9.444 5.172 1.00 0.47 C ATOM 372 CG ARG A 188 -3.384 -8.351 5.870 1.00 0.79 C ATOM 373 CD ARG A 188 -3.406 -8.508 7.384 1.00 0.63 C ATOM 374 NE ARG A 188 -4.684 -9.035 7.858 1.00 1.20 N ATOM 375 CZ ARG A 188 -4.831 -9.775 8.955 1.00 1.43 C ATOM 376 NH1 ARG A 188 -3.783 -10.067 9.715 1.00 1.42 N ATOM 377 NH2 ARG A 188 -6.034 -10.214 9.290 1.00 2.12 N ATOM 378 HE ARG A 188 -5.535 -8.818 7.301 1.00 0.00 H ATOM 379 HH12 ARG A 188 -3.906 -10.646 10.570 1.00 0.00 H ATOM 380 HH11 ARG A 188 -2.839 -9.717 9.455 1.00 0.00 H ATOM 381 HH22 ARG A 188 -6.157 -10.793 10.145 1.00 0.00 H ATOM 382 HH21 ARG A 188 -6.856 -9.980 8.698 1.00 0.00 H ATOM 383 H ARG A 188 -2.554 -10.353 3.341 1.00 0.00 H ATOM 384 N GLY A 189 -4.541 -12.300 3.632 1.00 0.37 N ATOM 385 CA GLY A 189 -5.527 -13.238 3.142 1.00 0.42 C ATOM 386 C GLY A 189 -6.578 -12.539 2.308 1.00 0.43 C ATOM 387 O GLY A 189 -7.609 -13.117 1.964 1.00 0.53 O ATOM 388 H GLY A 189 -3.805 -11.952 2.984 1.00 0.00 H ATOM 389 N LEU A 190 -6.306 -11.284 1.986 1.00 0.37 N ATOM 390 CA LEU A 190 -7.240 -10.448 1.249 1.00 0.40 C ATOM 391 C LEU A 190 -6.887 -10.424 -0.233 1.00 0.35 C ATOM 392 O LEU A 190 -5.891 -11.014 -0.655 1.00 0.37 O ATOM 393 CB LEU A 190 -7.215 -9.021 1.804 1.00 0.45 C ATOM 394 CG LEU A 190 -7.305 -8.906 3.326 1.00 0.61 C ATOM 395 CD1 LEU A 190 -7.442 -7.453 3.747 1.00 1.05 C ATOM 396 CD2 LEU A 190 -8.457 -9.738 3.859 1.00 1.28 C ATOM 397 H LEU A 190 -5.390 -10.881 2.271 1.00 0.00 H ATOM 398 N ILE A 191 -7.706 -9.738 -1.014 1.00 0.37 N ATOM 399 CA ILE A 191 -7.503 -9.627 -2.446 1.00 0.35 C ATOM 400 C ILE A 191 -7.553 -8.170 -2.896 1.00 0.36 C ATOM 401 O ILE A 191 -8.318 -7.369 -2.359 1.00 0.39 O ATOM 402 CB ILE A 191 -8.560 -10.431 -3.213 1.00 0.39 C ATOM 403 CG1 ILE A 191 -9.961 -10.053 -2.722 1.00 0.45 C ATOM 404 CG2 ILE A 191 -8.295 -11.915 -3.019 1.00 0.41 C ATOM 405 CD1 ILE A 191 -11.071 -10.465 -3.654 1.00 0.52 C ATOM 406 H ILE A 191 -8.525 -9.261 -0.586 1.00 0.00 H ATOM 407 N PRO A 192 -6.739 -7.823 -3.904 1.00 0.39 N ATOM 408 CA PRO A 192 -6.586 -6.443 -4.380 1.00 0.43 C ATOM 409 C PRO A 192 -7.794 -5.923 -5.161 1.00 0.41 C ATOM 410 O PRO A 192 -7.835 -4.752 -5.544 1.00 0.46 O ATOM 411 CB PRO A 192 -5.359 -6.519 -5.289 1.00 0.52 C ATOM 412 CG PRO A 192 -5.347 -7.921 -5.782 1.00 0.48 C ATOM 413 CD PRO A 192 -5.885 -8.761 -4.657 1.00 0.43 C ATOM 414 N GLU A 193 -8.776 -6.784 -5.387 1.00 0.39 N ATOM 415 CA GLU A 193 -9.944 -6.420 -6.180 1.00 0.43 C ATOM 416 C GLU A 193 -10.799 -5.368 -5.477 1.00 0.36 C ATOM 417 O GLU A 193 -11.144 -4.340 -6.060 1.00 0.45 O ATOM 418 CB GLU A 193 -10.804 -7.651 -6.465 1.00 0.57 C ATOM 419 CG GLU A 193 -10.050 -8.790 -7.127 1.00 0.99 C ATOM 420 CD GLU A 193 -10.973 -9.902 -7.571 1.00 1.20 C ATOM 421 OE1 GLU A 193 -11.172 -10.861 -6.798 1.00 1.73 O ATOM 422 OE2 GLU A 193 -11.516 -9.816 -8.690 1.00 1.74 O ATOM 423 H GLU A 193 -8.712 -7.743 -4.989 1.00 0.00 H ATOM 424 N CYS A 194 -11.115 -5.616 -4.215 1.00 0.33 N ATOM 425 CA CYS A 194 -12.098 -4.808 -3.501 1.00 0.36 C ATOM 426 C CYS A 194 -11.456 -3.703 -2.659 1.00 0.33 C ATOM 427 O CYS A 194 -12.104 -3.125 -1.789 1.00 0.49 O ATOM 428 CB CYS A 194 -12.953 -5.716 -2.617 1.00 0.48 C ATOM 429 SG CYS A 194 -13.942 -6.915 -3.542 1.00 1.69 S ATOM 430 H CYS A 194 -10.652 -6.405 -3.721 1.00 0.00 H ATOM 431 N CYS A 195 -10.200 -3.394 -2.922 1.00 0.27 N ATOM 432 CA CYS A 195 -9.510 -2.360 -2.159 1.00 0.25 C ATOM 433 C CYS A 195 -9.123 -1.178 -3.026 1.00 0.23 C ATOM 434 O CYS A 195 -9.071 -1.280 -4.254 1.00 0.29 O ATOM 435 CB CYS A 195 -8.256 -2.926 -1.504 1.00 0.28 C ATOM 436 SG CYS A 195 -7.383 -4.137 -2.505 1.00 0.52 S ATOM 437 H CYS A 195 -9.696 -3.894 -3.682 1.00 0.00 H ATOM 438 N ALA A 196 -8.869 -0.055 -2.374 1.00 0.26 N ATOM 439 CA ALA A 196 -8.281 1.099 -3.020 1.00 0.26 C ATOM 440 C ALA A 196 -7.039 1.517 -2.263 1.00 0.25 C ATOM 441 O ALA A 196 -6.918 1.238 -1.070 1.00 0.39 O ATOM 442 CB ALA A 196 -9.255 2.255 -3.081 1.00 0.37 C ATOM 443 H ALA A 196 -9.100 0.000 -1.362 1.00 0.00 H ATOM 444 N VAL A 197 -6.125 2.181 -2.939 1.00 0.23 N ATOM 445 CA VAL A 197 -4.893 2.606 -2.295 1.00 0.23 C ATOM 446 C VAL A 197 -4.776 4.121 -2.284 1.00 0.24 C ATOM 447 O VAL A 197 -4.797 4.773 -3.328 1.00 0.36 O ATOM 448 CB VAL A 197 -3.639 2.031 -2.971 1.00 0.29 C ATOM 449 CG1 VAL A 197 -2.399 2.306 -2.134 1.00 0.94 C ATOM 450 CG2 VAL A 197 -3.796 0.549 -3.244 1.00 1.06 C ATOM 451 H VAL A 197 -6.286 2.403 -3.942 1.00 0.00 H ATOM 452 N TYR A 198 -4.653 4.664 -1.095 1.00 0.29 N ATOM 453 CA TYR A 198 -4.433 6.082 -0.906 1.00 0.37 C ATOM 454 C TYR A 198 -3.749 6.314 0.437 1.00 0.45 C ATOM 455 O TYR A 198 -3.953 5.559 1.381 1.00 0.88 O ATOM 456 CB TYR A 198 -5.733 6.876 -1.054 1.00 0.93 C ATOM 457 CG TYR A 198 -6.779 6.632 -0.024 1.00 0.33 C ATOM 458 CD1 TYR A 198 -6.750 7.382 1.109 1.00 0.69 C ATOM 459 CD2 TYR A 198 -7.797 5.706 -0.196 1.00 0.53 C ATOM 460 CE1 TYR A 198 -7.711 7.241 2.089 1.00 1.46 C ATOM 461 CE2 TYR A 198 -8.769 5.542 0.771 1.00 1.18 C ATOM 462 CZ TYR A 198 -8.724 6.316 1.916 1.00 1.70 C ATOM 463 OH TYR A 198 -9.700 6.182 2.880 1.00 2.49 O ATOM 464 HH TYR A 198 -9.514 6.807 3.625 1.00 0.00 H ATOM 465 H TYR A 198 -4.716 4.052 -0.257 1.00 0.00 H ATOM 466 N ARG A 199 -2.915 7.333 0.520 1.00 0.34 N ATOM 467 CA ARG A 199 -2.081 7.530 1.702 1.00 0.45 C ATOM 468 C ARG A 199 -2.472 8.796 2.441 1.00 0.51 C ATOM 469 O ARG A 199 -2.709 9.828 1.827 1.00 0.60 O ATOM 470 CB ARG A 199 -0.603 7.580 1.315 1.00 0.58 C ATOM 471 CG ARG A 199 -0.294 8.511 0.154 1.00 0.81 C ATOM 472 CD ARG A 199 1.191 8.524 -0.152 1.00 0.80 C ATOM 473 NE ARG A 199 1.920 9.335 0.818 1.00 1.01 N ATOM 474 CZ ARG A 199 3.224 9.581 0.765 1.00 1.23 C ATOM 475 NH1 ARG A 199 3.961 9.108 -0.232 1.00 1.49 N ATOM 476 NH2 ARG A 199 3.788 10.316 1.709 1.00 1.57 N ATOM 477 HE ARG A 199 1.381 9.749 1.605 1.00 0.00 H ATOM 478 HH12 ARG A 199 4.981 9.306 -0.264 1.00 0.00 H ATOM 479 HH11 ARG A 199 3.518 8.539 -0.981 1.00 0.00 H ATOM 480 HH22 ARG A 199 4.809 10.513 1.674 1.00 0.00 H ATOM 481 HH21 ARG A 199 3.211 10.697 2.486 1.00 0.00 H ATOM 482 H ARG A 199 -2.851 8.007 -0.269 1.00 0.00 H ATOM 483 N ILE A 200 -2.534 8.725 3.757 1.00 0.61 N ATOM 484 CA ILE A 200 -2.916 9.878 4.549 1.00 0.66 C ATOM 485 C ILE A 200 -1.733 10.797 4.771 1.00 0.75 C ATOM 486 O ILE A 200 -0.693 10.398 5.297 1.00 0.88 O ATOM 487 CB ILE A 200 -3.519 9.481 5.908 1.00 0.81 C ATOM 488 CG1 ILE A 200 -4.800 8.692 5.693 1.00 0.82 C ATOM 489 CG2 ILE A 200 -3.802 10.712 6.758 1.00 0.88 C ATOM 490 CD1 ILE A 200 -5.982 9.520 5.235 1.00 0.80 C ATOM 491 H ILE A 200 -2.306 7.829 4.233 1.00 0.00 H ATOM 492 N GLN A 201 -1.915 12.027 4.353 1.00 0.75 N ATOM 493 CA GLN A 201 -0.923 13.065 4.560 1.00 0.91 C ATOM 494 C GLN A 201 -1.345 13.896 5.763 1.00 0.98 C ATOM 495 O GLN A 201 -1.990 13.378 6.666 1.00 0.99 O ATOM 496 CB GLN A 201 -0.786 13.965 3.327 1.00 0.98 C ATOM 497 CG GLN A 201 0.636 14.462 3.107 1.00 1.22 C ATOM 498 CD GLN A 201 0.738 15.665 2.190 1.00 1.76 C ATOM 499 OE1 GLN A 201 1.699 15.798 1.433 1.00 2.41 O ATOM 500 NE2 GLN A 201 -0.217 16.578 2.283 1.00 2.39 N ATOM 501 HE22 GLN A 201 -1.015 16.432 2.934 1.00 0.00 H ATOM 502 HE21 GLN A 201 -0.169 17.441 1.705 1.00 0.00 H ATOM 503 H GLN A 201 -2.798 12.265 3.858 1.00 0.00 H ATOM 504 N ASP A 202 -0.991 15.174 5.750 1.00 1.08 N ATOM 505 CA ASP A 202 -1.339 16.120 6.816 1.00 1.18 C ATOM 506 C ASP A 202 -2.838 16.133 7.118 1.00 1.09 C ATOM 507 O ASP A 202 -3.567 16.993 6.626 1.00 1.07 O ATOM 508 CB ASP A 202 -0.925 17.513 6.377 1.00 1.30 C ATOM 509 CG ASP A 202 -1.072 18.546 7.475 1.00 1.45 C ATOM 510 OD1 ASP A 202 -0.339 18.456 8.482 1.00 1.84 O ATOM 511 OD2 ASP A 202 -1.904 19.463 7.330 1.00 1.91 O ATOM 512 H ASP A 202 -0.438 15.524 4.942 1.00 0.00 H ATOM 513 N GLY A 203 -3.293 15.174 7.912 1.00 1.11 N ATOM 514 CA GLY A 203 -4.698 15.080 8.258 1.00 1.12 C ATOM 515 C GLY A 203 -5.590 14.880 7.046 1.00 0.99 C ATOM 516 O GLY A 203 -6.811 14.991 7.145 1.00 1.07 O ATOM 517 H GLY A 203 -2.627 14.473 8.295 1.00 0.00 H ATOM 518 N GLU A 204 -4.987 14.583 5.904 1.00 0.86 N ATOM 519 CA GLU A 204 -5.732 14.485 4.663 1.00 0.79 C ATOM 520 C GLU A 204 -5.392 13.201 3.935 1.00 0.68 C ATOM 521 O GLU A 204 -4.603 12.403 4.410 1.00 0.67 O ATOM 522 CB GLU A 204 -5.395 15.675 3.779 1.00 0.83 C ATOM 523 CG GLU A 204 -3.985 15.612 3.235 1.00 0.82 C ATOM 524 CD GLU A 204 -3.649 16.774 2.336 1.00 0.98 C ATOM 525 OE1 GLU A 204 -2.918 17.679 2.780 1.00 1.54 O ATOM 526 OE2 GLU A 204 -4.103 16.781 1.175 1.00 1.51 O ATOM 527 H GLU A 204 -3.960 14.417 5.897 1.00 0.00 H ATOM 528 N LYS A 205 -5.975 13.024 2.770 1.00 0.69 N ATOM 529 CA LYS A 205 -5.752 11.826 1.981 1.00 0.62 C ATOM 530 C LYS A 205 -5.183 12.183 0.615 1.00 0.61 C ATOM 531 O LYS A 205 -5.714 13.044 -0.084 1.00 0.71 O ATOM 532 CB LYS A 205 -7.065 11.069 1.789 1.00 0.73 C ATOM 533 CG LYS A 205 -7.966 11.116 3.004 1.00 0.90 C ATOM 534 CD LYS A 205 -9.423 10.888 2.649 1.00 1.16 C ATOM 535 CE LYS A 205 -9.612 9.780 1.628 1.00 1.29 C ATOM 536 NZ LYS A 205 -11.046 9.492 1.384 1.00 1.69 N ATOM 537 HZ1 LYS A 205 -11.495 9.196 2.274 1.00 0.00 H ATOM 538 HZ2 LYS A 205 -11.514 10.349 1.026 1.00 0.00 H ATOM 539 HZ3 LYS A 205 -11.131 8.730 0.681 1.00 0.00 H ATOM 540 H LYS A 205 -6.612 13.761 2.405 1.00 0.00 H ATOM 541 N LYS A 206 -4.101 11.526 0.253 1.00 0.57 N ATOM 542 CA LYS A 206 -3.519 11.643 -1.077 1.00 0.61 C ATOM 543 C LYS A 206 -3.741 10.332 -1.817 1.00 0.57 C ATOM 544 O LYS A 206 -3.000 9.366 -1.610 1.00 0.60 O ATOM 545 CB LYS A 206 -2.014 11.926 -1.002 1.00 0.65 C ATOM 546 CG LYS A 206 -1.633 13.175 -0.223 1.00 0.84 C ATOM 547 CD LYS A 206 -2.212 14.436 -0.839 1.00 1.09 C ATOM 548 CE LYS A 206 -1.460 15.671 -0.367 1.00 1.23 C ATOM 549 NZ LYS A 206 -2.180 16.927 -0.710 1.00 1.66 N ATOM 550 HZ1 LYS A 206 -2.293 16.990 -1.742 1.00 0.00 H ATOM 551 HZ2 LYS A 206 -3.116 16.923 -0.257 1.00 0.00 H ATOM 552 HZ3 LYS A 206 -1.632 17.743 -0.370 1.00 0.00 H ATOM 553 H LYS A 206 -3.643 10.898 0.945 1.00 0.00 H ATOM 554 N PRO A 207 -4.780 10.252 -2.653 1.00 0.52 N ATOM 555 CA PRO A 207 -5.110 9.020 -3.356 1.00 0.47 C ATOM 556 C PRO A 207 -4.069 8.644 -4.403 1.00 0.44 C ATOM 557 O PRO A 207 -3.823 9.384 -5.361 1.00 0.53 O ATOM 558 CB PRO A 207 -6.460 9.306 -4.012 1.00 0.54 C ATOM 559 CG PRO A 207 -6.953 10.565 -3.378 1.00 0.58 C ATOM 560 CD PRO A 207 -5.726 11.326 -2.968 1.00 0.56 C ATOM 561 N ILE A 208 -3.458 7.492 -4.199 1.00 0.36 N ATOM 562 CA ILE A 208 -2.454 6.971 -5.102 1.00 0.36 C ATOM 563 C ILE A 208 -3.107 6.127 -6.187 1.00 0.32 C ATOM 564 O ILE A 208 -4.264 5.725 -6.058 1.00 0.44 O ATOM 565 CB ILE A 208 -1.465 6.101 -4.314 1.00 0.42 C ATOM 566 CG1 ILE A 208 -1.174 6.762 -2.974 1.00 0.56 C ATOM 567 CG2 ILE A 208 -0.180 5.902 -5.097 1.00 0.52 C ATOM 568 CD1 ILE A 208 -0.596 5.831 -1.947 1.00 0.90 C ATOM 569 H ILE A 208 -3.708 6.937 -3.356 1.00 0.00 H ATOM 570 N GLY A 209 -2.370 5.868 -7.251 1.00 0.34 N ATOM 571 CA GLY A 209 -2.871 5.021 -8.305 1.00 0.37 C ATOM 572 C GLY A 209 -2.350 3.610 -8.167 1.00 0.31 C ATOM 573 O GLY A 209 -1.217 3.408 -7.737 1.00 0.33 O ATOM 574 H GLY A 209 -1.418 6.279 -7.330 1.00 0.00 H ATOM 575 N TRP A 210 -3.161 2.632 -8.537 1.00 0.29 N ATOM 576 CA TRP A 210 -2.738 1.237 -8.489 1.00 0.27 C ATOM 577 C TRP A 210 -1.628 0.984 -9.510 1.00 0.27 C ATOM 578 O TRP A 210 -0.912 -0.014 -9.438 1.00 0.30 O ATOM 579 CB TRP A 210 -3.929 0.305 -8.737 1.00 0.31 C ATOM 580 CG TRP A 210 -4.828 0.152 -7.542 1.00 0.28 C ATOM 581 CD1 TRP A 210 -5.777 1.028 -7.101 1.00 0.31 C ATOM 582 CD2 TRP A 210 -4.856 -0.955 -6.637 1.00 0.26 C ATOM 583 NE1 TRP A 210 -6.389 0.537 -5.968 1.00 0.30 N ATOM 584 CE2 TRP A 210 -5.841 -0.687 -5.663 1.00 0.26 C ATOM 585 CE3 TRP A 210 -4.138 -2.146 -6.560 1.00 0.29 C ATOM 586 CZ2 TRP A 210 -6.117 -1.583 -4.619 1.00 0.26 C ATOM 587 CZ3 TRP A 210 -4.411 -3.025 -5.533 1.00 0.31 C ATOM 588 CH2 TRP A 210 -5.391 -2.740 -4.578 1.00 0.29 C ATOM 589 HE1 TRP A 210 -7.142 1.014 -5.432 1.00 0.00 H ATOM 590 H TRP A 210 -4.119 2.863 -8.869 1.00 0.00 H ATOM 591 N ASP A 211 -1.482 1.913 -10.448 1.00 0.27 N ATOM 592 CA ASP A 211 -0.452 1.826 -11.480 1.00 0.29 C ATOM 593 C ASP A 211 0.742 2.710 -11.129 1.00 0.25 C ATOM 594 O ASP A 211 1.668 2.858 -11.923 1.00 0.32 O ATOM 595 CB ASP A 211 -1.018 2.243 -12.840 1.00 0.39 C ATOM 596 CG ASP A 211 -1.420 3.704 -12.876 1.00 1.49 C ATOM 597 OD1 ASP A 211 -0.653 4.526 -13.419 1.00 2.30 O ATOM 598 OD2 ASP A 211 -2.503 4.039 -12.357 1.00 2.30 O ATOM 599 H ASP A 211 -2.124 2.731 -10.448 1.00 0.00 H ATOM 600 N THR A 212 0.710 3.299 -9.944 1.00 0.23 N ATOM 601 CA THR A 212 1.813 4.114 -9.462 1.00 0.23 C ATOM 602 C THR A 212 3.020 3.235 -9.141 1.00 0.21 C ATOM 603 O THR A 212 2.870 2.145 -8.592 1.00 0.26 O ATOM 604 CB THR A 212 1.380 4.917 -8.211 1.00 0.25 C ATOM 605 OG1 THR A 212 0.417 5.916 -8.586 1.00 0.30 O ATOM 606 CG2 THR A 212 2.560 5.581 -7.508 1.00 0.31 C ATOM 607 HG1 THR A 212 -0.375 5.476 -8.985 1.00 0.00 H ATOM 608 H THR A 212 -0.128 3.175 -9.341 1.00 0.00 H ATOM 609 N ASP A 213 4.203 3.687 -9.530 1.00 0.23 N ATOM 610 CA ASP A 213 5.436 2.968 -9.222 1.00 0.25 C ATOM 611 C ASP A 213 5.720 3.065 -7.726 1.00 0.23 C ATOM 612 O ASP A 213 5.960 4.155 -7.201 1.00 0.29 O ATOM 613 CB ASP A 213 6.608 3.546 -10.021 1.00 0.32 C ATOM 614 CG ASP A 213 7.838 2.659 -9.985 1.00 0.93 C ATOM 615 OD1 ASP A 213 8.273 2.275 -8.882 1.00 1.73 O ATOM 616 OD2 ASP A 213 8.389 2.358 -11.067 1.00 1.66 O ATOM 617 H ASP A 213 4.255 4.576 -10.068 1.00 0.00 H ATOM 618 N ILE A 214 5.703 1.923 -7.048 1.00 0.23 N ATOM 619 CA ILE A 214 5.769 1.890 -5.588 1.00 0.21 C ATOM 620 C ILE A 214 7.145 2.313 -5.058 1.00 0.19 C ATOM 621 O ILE A 214 7.269 2.754 -3.915 1.00 0.21 O ATOM 622 CB ILE A 214 5.399 0.487 -5.035 1.00 0.22 C ATOM 623 CG1 ILE A 214 5.448 0.493 -3.506 1.00 0.24 C ATOM 624 CG2 ILE A 214 6.309 -0.595 -5.608 1.00 0.26 C ATOM 625 CD1 ILE A 214 5.169 -0.846 -2.882 1.00 0.29 C ATOM 626 H ILE A 214 5.641 1.026 -7.571 1.00 0.00 H ATOM 627 N SER A 215 8.165 2.231 -5.898 1.00 0.21 N ATOM 628 CA SER A 215 9.531 2.524 -5.473 1.00 0.23 C ATOM 629 C SER A 215 9.725 4.027 -5.218 1.00 0.25 C ATOM 630 O SER A 215 10.788 4.466 -4.778 1.00 0.31 O ATOM 631 CB SER A 215 10.522 2.004 -6.521 1.00 0.31 C ATOM 632 OG SER A 215 10.460 2.759 -7.719 1.00 1.07 O ATOM 633 HG SER A 215 9.547 2.702 -8.097 1.00 0.00 H ATOM 634 H SER A 215 7.989 1.951 -6.884 1.00 0.00 H ATOM 635 N TRP A 216 8.705 4.817 -5.544 1.00 0.25 N ATOM 636 CA TRP A 216 8.717 6.249 -5.260 1.00 0.33 C ATOM 637 C TRP A 216 8.081 6.544 -3.892 1.00 0.33 C ATOM 638 O TRP A 216 8.257 7.622 -3.325 1.00 0.45 O ATOM 639 CB TRP A 216 7.978 6.993 -6.379 1.00 0.40 C ATOM 640 CG TRP A 216 7.941 8.481 -6.207 1.00 1.13 C ATOM 641 CD1 TRP A 216 9.009 9.329 -6.174 1.00 1.75 C ATOM 642 CD2 TRP A 216 6.773 9.296 -6.058 1.00 1.92 C ATOM 643 NE1 TRP A 216 8.576 10.620 -5.998 1.00 2.60 N ATOM 644 CE2 TRP A 216 7.209 10.626 -5.929 1.00 2.73 C ATOM 645 CE3 TRP A 216 5.400 9.030 -6.020 1.00 2.29 C ATOM 646 CZ2 TRP A 216 6.323 11.687 -5.763 1.00 3.66 C ATOM 647 CZ3 TRP A 216 4.522 10.084 -5.857 1.00 3.27 C ATOM 648 CH2 TRP A 216 4.986 11.398 -5.729 1.00 3.87 C ATOM 649 HE1 TRP A 216 9.188 11.458 -5.928 1.00 0.00 H ATOM 650 H TRP A 216 7.875 4.402 -6.015 1.00 0.00 H ATOM 651 N LEU A 217 7.346 5.568 -3.369 1.00 0.25 N ATOM 652 CA LEU A 217 6.589 5.720 -2.127 1.00 0.26 C ATOM 653 C LEU A 217 7.338 5.116 -0.956 1.00 0.24 C ATOM 654 O LEU A 217 6.805 4.936 0.137 1.00 0.25 O ATOM 655 CB LEU A 217 5.221 5.069 -2.299 1.00 0.26 C ATOM 656 CG LEU A 217 4.296 5.858 -3.213 1.00 0.47 C ATOM 657 CD1 LEU A 217 4.737 5.794 -4.659 1.00 1.21 C ATOM 658 CD2 LEU A 217 2.858 5.404 -3.093 1.00 0.92 C ATOM 659 H LEU A 217 7.307 4.655 -3.865 1.00 0.00 H ATOM 660 N THR A 218 8.578 4.816 -1.230 1.00 0.25 N ATOM 661 CA THR A 218 9.510 4.256 -0.261 1.00 0.26 C ATOM 662 C THR A 218 9.554 5.032 1.052 1.00 0.28 C ATOM 663 O THR A 218 9.555 6.266 1.061 1.00 0.32 O ATOM 664 CB THR A 218 10.924 4.260 -0.832 1.00 0.31 C ATOM 665 OG1 THR A 218 10.891 3.844 -2.195 1.00 0.32 O ATOM 666 CG2 THR A 218 11.798 3.334 -0.024 1.00 0.39 C ATOM 667 HG1 THR A 218 10.324 4.467 -2.715 1.00 0.00 H ATOM 668 H THR A 218 8.921 4.987 -2.197 1.00 0.00 H ATOM 669 N GLY A 219 9.610 4.295 2.161 1.00 0.30 N ATOM 670 CA GLY A 219 9.777 4.903 3.466 1.00 0.37 C ATOM 671 C GLY A 219 8.535 5.620 3.941 1.00 0.38 C ATOM 672 O GLY A 219 8.491 6.136 5.058 1.00 0.53 O ATOM 673 H GLY A 219 9.532 3.260 2.088 1.00 0.00 H ATOM 674 N GLU A 220 7.521 5.637 3.099 1.00 0.29 N ATOM 675 CA GLU A 220 6.284 6.330 3.407 1.00 0.29 C ATOM 676 C GLU A 220 5.147 5.330 3.524 1.00 0.28 C ATOM 677 O GLU A 220 4.991 4.466 2.673 1.00 0.40 O ATOM 678 CB GLU A 220 5.989 7.377 2.331 1.00 0.36 C ATOM 679 CG GLU A 220 7.088 8.421 2.204 1.00 1.26 C ATOM 680 CD GLU A 220 6.766 9.493 1.189 1.00 1.53 C ATOM 681 OE1 GLU A 220 6.850 9.215 -0.024 1.00 2.02 O ATOM 682 OE2 GLU A 220 6.406 10.617 1.597 1.00 2.16 O ATOM 683 H GLU A 220 7.610 5.140 2.190 1.00 0.00 H ATOM 684 N GLU A 221 4.368 5.438 4.585 1.00 0.30 N ATOM 685 CA GLU A 221 3.323 4.464 4.851 1.00 0.30 C ATOM 686 C GLU A 221 2.069 4.788 4.073 1.00 0.31 C ATOM 687 O GLU A 221 1.636 5.939 3.992 1.00 0.38 O ATOM 688 CB GLU A 221 3.008 4.385 6.341 1.00 0.38 C ATOM 689 CG GLU A 221 4.212 4.040 7.197 1.00 0.46 C ATOM 690 CD GLU A 221 3.847 3.786 8.639 1.00 1.26 C ATOM 691 OE1 GLU A 221 3.825 2.608 9.048 1.00 2.01 O ATOM 692 OE2 GLU A 221 3.608 4.764 9.375 1.00 2.03 O ATOM 693 H GLU A 221 4.505 6.233 5.241 1.00 0.00 H ATOM 694 N LEU A 222 1.499 3.752 3.500 1.00 0.26 N ATOM 695 CA LEU A 222 0.342 3.876 2.648 1.00 0.27 C ATOM 696 C LEU A 222 -0.896 3.315 3.340 1.00 0.25 C ATOM 697 O LEU A 222 -0.786 2.654 4.370 1.00 0.32 O ATOM 698 CB LEU A 222 0.619 3.109 1.363 1.00 0.29 C ATOM 699 CG LEU A 222 1.887 3.521 0.615 1.00 0.54 C ATOM 700 CD1 LEU A 222 1.989 2.770 -0.702 1.00 1.19 C ATOM 701 CD2 LEU A 222 1.915 5.023 0.384 1.00 1.19 C ATOM 702 H LEU A 222 1.898 2.806 3.667 1.00 0.00 H ATOM 703 N HIS A 223 -2.071 3.585 2.784 1.00 0.24 N ATOM 704 CA HIS A 223 -3.306 3.012 3.300 1.00 0.26 C ATOM 705 C HIS A 223 -4.086 2.328 2.194 1.00 0.28 C ATOM 706 O HIS A 223 -4.227 2.857 1.090 1.00 0.46 O ATOM 707 CB HIS A 223 -4.182 4.077 3.961 1.00 0.45 C ATOM 708 CG HIS A 223 -4.060 4.107 5.446 1.00 0.94 C ATOM 709 ND1 HIS A 223 -4.950 3.469 6.279 1.00 1.30 N ATOM 710 CD2 HIS A 223 -3.147 4.693 6.248 1.00 1.85 C ATOM 711 CE1 HIS A 223 -4.587 3.656 7.531 1.00 2.26 C ATOM 712 NE2 HIS A 223 -3.495 4.396 7.541 1.00 2.63 N ATOM 713 H HIS A 223 -2.110 4.220 1.961 1.00 0.00 H ATOM 714 N VAL A 224 -4.565 1.141 2.489 1.00 0.27 N ATOM 715 CA VAL A 224 -5.434 0.418 1.587 1.00 0.34 C ATOM 716 C VAL A 224 -6.801 0.274 2.223 1.00 0.38 C ATOM 717 O VAL A 224 -6.954 -0.358 3.267 1.00 0.51 O ATOM 718 CB VAL A 224 -4.869 -0.965 1.230 1.00 0.55 C ATOM 719 CG1 VAL A 224 -5.856 -1.742 0.385 1.00 0.91 C ATOM 720 CG2 VAL A 224 -3.572 -0.816 0.477 1.00 0.97 C ATOM 721 H VAL A 224 -4.311 0.708 3.400 1.00 0.00 H ATOM 722 N GLU A 225 -7.784 0.877 1.595 1.00 0.38 N ATOM 723 CA GLU A 225 -9.108 0.960 2.164 1.00 0.49 C ATOM 724 C GLU A 225 -10.111 0.287 1.242 1.00 0.39 C ATOM 725 O GLU A 225 -10.087 0.496 0.030 1.00 0.46 O ATOM 726 CB GLU A 225 -9.462 2.428 2.386 1.00 0.68 C ATOM 727 CG GLU A 225 -8.416 3.178 3.206 1.00 0.93 C ATOM 728 CD GLU A 225 -8.369 2.741 4.659 1.00 1.32 C ATOM 729 OE1 GLU A 225 -9.420 2.332 5.201 1.00 1.78 O ATOM 730 OE2 GLU A 225 -7.288 2.843 5.278 1.00 1.94 O ATOM 731 H GLU A 225 -7.604 1.305 0.665 1.00 0.00 H ATOM 732 N VAL A 226 -10.971 -0.535 1.818 1.00 0.50 N ATOM 733 CA VAL A 226 -11.933 -1.310 1.047 1.00 0.48 C ATOM 734 C VAL A 226 -12.920 -0.400 0.329 1.00 0.52 C ATOM 735 O VAL A 226 -13.506 0.502 0.931 1.00 0.69 O ATOM 736 CB VAL A 226 -12.713 -2.298 1.938 1.00 0.64 C ATOM 737 CG1 VAL A 226 -13.590 -3.215 1.098 1.00 1.12 C ATOM 738 CG2 VAL A 226 -11.754 -3.109 2.788 1.00 1.12 C ATOM 739 H VAL A 226 -10.960 -0.631 2.853 1.00 0.00 H ATOM 740 N LEU A 227 -13.094 -0.641 -0.959 1.00 0.49 N ATOM 741 CA LEU A 227 -14.009 0.131 -1.765 1.00 0.65 C ATOM 742 C LEU A 227 -15.431 -0.374 -1.587 1.00 0.83 C ATOM 743 O LEU A 227 -15.921 -1.185 -2.375 1.00 0.94 O ATOM 744 CB LEU A 227 -13.603 0.056 -3.232 1.00 0.71 C ATOM 745 CG LEU A 227 -12.350 0.849 -3.601 1.00 0.58 C ATOM 746 CD1 LEU A 227 -11.798 0.405 -4.947 1.00 1.69 C ATOM 747 CD2 LEU A 227 -12.665 2.335 -3.632 1.00 1.23 C ATOM 748 H LEU A 227 -12.555 -1.410 -1.405 1.00 0.00 H ATOM 749 N GLU A 228 -16.081 0.098 -0.541 1.00 0.99 N ATOM 750 CA GLU A 228 -17.463 -0.261 -0.278 1.00 1.23 C ATOM 751 C GLU A 228 -18.395 0.863 -0.706 1.00 1.51 C ATOM 752 O GLU A 228 -18.342 1.964 -0.156 1.00 1.69 O ATOM 753 CB GLU A 228 -17.669 -0.587 1.199 1.00 1.37 C ATOM 754 CG GLU A 228 -16.884 -1.802 1.656 1.00 1.33 C ATOM 755 CD GLU A 228 -17.193 -2.199 3.084 1.00 1.66 C ATOM 756 OE1 GLU A 228 -16.411 -1.845 3.991 1.00 2.12 O ATOM 757 OE2 GLU A 228 -18.220 -2.872 3.307 1.00 2.12 O ATOM 758 H GLU A 228 -15.592 0.743 0.111 1.00 0.00 H ATOM 759 N ASN A 229 -19.220 0.577 -1.710 1.00 1.75 N ATOM 760 CA ASN A 229 -20.196 1.534 -2.239 1.00 2.12 C ATOM 761 C ASN A 229 -19.528 2.836 -2.628 1.00 2.52 C ATOM 762 O ASN A 229 -20.059 3.923 -2.393 1.00 3.17 O ATOM 763 CB ASN A 229 -21.321 1.778 -1.228 1.00 2.91 C ATOM 764 CG ASN A 229 -22.653 2.109 -1.882 1.00 3.55 C ATOM 765 OD1 ASN A 229 -23.711 1.809 -1.331 1.00 4.42 O ATOM 766 ND2 ASN A 229 -22.620 2.716 -3.059 1.00 3.65 N ATOM 767 HD22 ASN A 229 -21.707 2.955 -3.496 1.00 0.00 H ATOM 768 HD21 ASN A 229 -23.507 2.954 -3.547 1.00 0.00 H ATOM 769 H ASN A 229 -19.170 -0.369 -2.139 1.00 0.00 H ATOM 770 N VAL A 230 -18.365 2.685 -3.244 1.00 2.85 N ATOM 771 CA VAL A 230 -17.568 3.801 -3.730 1.00 3.94 C ATOM 772 C VAL A 230 -17.352 4.881 -2.658 1.00 4.43 C ATOM 773 O VAL A 230 -18.124 5.831 -2.538 1.00 4.68 O ATOM 774 CB VAL A 230 -18.194 4.395 -4.998 1.00 4.70 C ATOM 775 CG1 VAL A 230 -17.535 5.702 -5.386 1.00 5.77 C ATOM 776 CG2 VAL A 230 -18.100 3.397 -6.136 1.00 4.92 C ATOM 777 H VAL A 230 -18.004 1.720 -3.387 1.00 0.00 H ATOM 778 N PRO A 231 -16.310 4.725 -1.833 1.00 4.99 N ATOM 779 CA PRO A 231 -15.941 5.733 -0.844 1.00 5.82 C ATOM 780 C PRO A 231 -15.174 6.893 -1.478 1.00 6.50 C ATOM 781 O PRO A 231 -14.287 6.686 -2.311 1.00 7.15 O ATOM 782 CB PRO A 231 -15.053 4.957 0.130 1.00 6.52 C ATOM 783 CG PRO A 231 -14.434 3.879 -0.695 1.00 6.28 C ATOM 784 CD PRO A 231 -15.425 3.549 -1.784 1.00 5.31 C ATOM 785 N LEU A 232 -15.535 8.109 -1.103 1.00 6.68 N ATOM 786 CA LEU A 232 -14.864 9.293 -1.620 1.00 7.61 C ATOM 787 C LEU A 232 -13.886 9.830 -0.589 1.00 8.10 C ATOM 788 O LEU A 232 -12.680 9.553 -0.717 1.00 8.45 O ATOM 789 CB LEU A 232 -15.871 10.387 -2.009 1.00 8.09 C ATOM 790 CG LEU A 232 -16.720 10.099 -3.254 1.00 8.52 C ATOM 791 CD1 LEU A 232 -17.810 9.082 -2.955 1.00 9.01 C ATOM 792 CD2 LEU A 232 -17.326 11.387 -3.789 1.00 8.89 C ATOM 793 OXT LEU A 232 -14.329 10.503 0.366 1.00 8.40 O ATOM 794 H LEU A 232 -16.315 8.222 -0.424 1.00 0.00 H TER 795 LEU A 232 HETATM 796 C1 UNN A 1 3.344 -7.785 7.155 1.00 -0.02 C HETATM 797 C2 UNN A 1 4.723 -7.593 7.302 1.00 0.08 C HETATM 798 C3 UNN A 1 5.608 -7.973 6.289 1.00 0.01 C HETATM 799 C9 UNN A 1 6.990 -7.785 6.410 1.00 -0.01 C HETATM 800 C11 UNN A 1 7.722 -7.444 7.715 1.00 0.07 C HETATM 801 S1 UNN A 1 9.433 -7.085 7.631 1.00 -0.02 S HETATM 802 C12 UNN A 1 9.638 -5.571 6.628 1.00 0.09 C HETATM 803 C18 UNN A 1 10.978 -5.214 6.560 1.00 -0.04 C HETATM 804 C13 UNN A 1 11.691 -5.448 5.387 1.00 -0.08 C HETATM 805 C14 UNN A 1 12.990 -4.964 5.252 1.00 -0.05 C HETATM 806 C15 UNN A 1 13.570 -4.249 6.303 1.00 0.10 C HETATM 807 C16 UNN A 1 12.863 -4.034 7.473 1.00 0.06 C HETATM 808 C17 UNN A 1 11.565 -4.514 7.612 1.00 -0.05 C HETATM 809 H21 UNN A 1 11.015 -4.345 8.531 1.00 0.04 H HETATM 810 N1 UNN A 1 13.480 -3.340 8.430 1.00 -0.32 N HETATM 811 C20 UNN A 1 12.848 -3.040 9.722 1.00 0.07 C HETATM 812 C21 UNN A 1 12.664 -4.351 10.494 1.00 0.06 C HETATM 813 O7 UNN A 1 13.493 -5.262 10.274 1.00 -0.57 O HETATM 814 O8 UNN A 1 11.701 -4.415 11.286 1.00 -0.57 O HETATM 815 H24 UNN A 1 13.490 -2.358 10.299 1.00 0.07 H HETATM 816 H25 UNN A 1 11.868 -2.568 9.554 1.00 0.07 H HETATM 817 H26 UNN A 1 14.437 -3.001 8.257 1.00 0.17 H HETATM 818 O6 UNN A 1 14.825 -3.705 6.244 1.00 -0.33 O HETATM 819 C19 UNN A 1 15.443 -3.987 4.984 1.00 0.05 C HETATM 820 H18 UNN A 1 16.448 -3.541 4.961 1.00 0.06 H HETATM 821 H19 UNN A 1 14.834 -3.561 4.173 1.00 0.06 H HETATM 822 H20 UNN A 1 15.522 -5.076 4.850 1.00 0.06 H HETATM 823 H17 UNN A 1 13.547 -5.141 4.339 1.00 0.05 H HETATM 824 H16 UNN A 1 11.235 -6.007 4.578 1.00 0.04 H HETATM 825 H14 UNN A 1 9.067 -4.751 7.088 1.00 0.06 H HETATM 826 H15 UNN A 1 9.260 -5.755 5.612 1.00 0.06 H HETATM 827 O4 UNN A 1 10.004 -6.873 9.044 1.00 -0.17 O HETATM 828 O5 UNN A 1 10.171 -8.254 6.956 1.00 -0.17 O HETATM 829 H12 UNN A 1 7.224 -6.564 8.148 1.00 0.05 H HETATM 830 H13 UNN A 1 7.601 -8.303 8.391 1.00 0.05 H HETATM 831 H22 UNN A 1 7.237 -6.970 5.714 1.00 0.04 H HETATM 832 H23 UNN A 1 7.445 -8.721 6.055 1.00 0.04 H HETATM 833 C4 UNN A 1 5.094 -8.521 5.118 1.00 0.08 C HETATM 834 C5 UNN A 1 3.722 -8.714 4.961 1.00 -0.02 C HETATM 835 C6 UNN A 1 2.844 -8.353 5.976 1.00 0.07 C HETATM 836 O1 UNN A 1 1.501 -8.574 5.793 1.00 -0.33 O HETATM 837 C7 UNN A 1 0.728 -8.160 6.929 1.00 0.06 C HETATM 838 H3 UNN A 1 -0.338 -8.355 6.738 1.00 0.06 H HETATM 839 H4 UNN A 1 0.878 -7.084 7.103 1.00 0.06 H HETATM 840 H5 UNN A 1 1.051 -8.723 7.817 1.00 0.06 H HETATM 841 H2 UNN A 1 3.339 -9.147 4.044 1.00 0.04 H HETATM 842 O2 UNN A 1 6.007 -8.823 4.139 1.00 -0.33 O HETATM 843 C8 UNN A 1 5.371 -9.380 2.975 1.00 0.06 C HETATM 844 H6 UNN A 1 6.133 -9.608 2.215 1.00 0.06 H HETATM 845 H7 UNN A 1 4.652 -8.654 2.567 1.00 0.06 H HETATM 846 H8 UNN A 1 4.842 -10.303 3.253 1.00 0.06 H HETATM 847 O3 UNN A 1 5.271 -6.980 8.397 1.00 -0.33 O HETATM 848 C10 UNN A 1 4.274 -6.617 9.363 1.00 0.06 C HETATM 849 H9 UNN A 1 4.757 -6.129 10.223 1.00 0.06 H HETATM 850 H10 UNN A 1 3.746 -7.521 9.703 1.00 0.06 H HETATM 851 H11 UNN A 1 3.554 -5.923 8.904 1.00 0.06 H HETATM 852 H1 UNN A 1 2.666 -7.495 7.950 1.00 0.04 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 796 797 835 852 CONECT 797 796 798 847 CONECT 798 797 799 833 CONECT 799 798 800 831 832 CONECT 800 799 801 829 830 CONECT 801 800 802 827 828 CONECT 802 801 803 825 826 CONECT 803 802 804 808 CONECT 804 803 805 824 CONECT 805 804 806 823 CONECT 806 805 807 818 CONECT 807 806 808 810 CONECT 808 803 807 809 CONECT 809 808 CONECT 810 807 811 817 CONECT 811 810 812 815 816 CONECT 812 811 813 814 CONECT 813 812 CONECT 814 812 CONECT 815 811 CONECT 816 811 CONECT 817 810 CONECT 818 806 819 CONECT 819 818 820 821 822 CONECT 820 819 CONECT 821 819 CONECT 822 819 CONECT 823 805 CONECT 824 804 CONECT 825 802 CONECT 826 802 CONECT 827 801 CONECT 828 801 CONECT 829 800 CONECT 830 800 CONECT 831 799 CONECT 832 799 CONECT 833 798 834 842 CONECT 834 833 835 841 CONECT 835 796 834 836 CONECT 836 835 837 CONECT 837 836 838 839 840 CONECT 838 837 CONECT 839 837 CONECT 840 837 CONECT 841 834 CONECT 842 833 843 CONECT 843 842 844 845 846 CONECT 844 843 CONECT 845 843 CONECT 846 843 CONECT 847 797 848 CONECT 848 847 849 850 851 CONECT 849 848 CONECT 850 848 CONECT 851 848 CONECT 852 796 MASTER 0 0 0 0 0 0 0 0 851 1 61 7 END
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Related entries of code: 5j18
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
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Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5j18
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Ras Binding Domain (RBD) of B-Raf
Ligand Name
6FS
EC.Number
E.C.2.7.11.1
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=0.71nM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Cell Vol. 165: pp. 643-655
Ligand Properties
Formula
C
2
1
H
2
7
NO
8
S
Molecular Weight
453.506
Exact Mass
453.146
No. of atoms
58
No. of bonds
59
Polar Surface Area
128.77
LOGP Value
3.40 (
Computed with XLOGP3
)
3.53 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 2
Canonical SMILES
COc1cc(OC)cc(c1CCS(=O)(=O)Cc1ccc(c(c1)NCC(=O)O)OC)OC
InChI String
InChI=1S/C21H27NO8S/c1-27-15-10-19(29-3)16(20(11-15)30-4)7-8-31(25,26)13-14-5-6-18(28-2)17(9-14)22-12-21(23)24/h5-6,9-11,22H,7-8,12-13H2,1-4H3,(H,23,24)
Links to External Databases
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P15056
Entrez Gene ID
NCBI Entrez Gene ID:
673
ASD
Information of known allosteric effects of PDB entries
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