Browse entries in the PDBbind-CN Database
HEADER 5YYZ_COMPLEX COMPND 5YYZ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 9 VAL ALA PRO ALA HIS LEU GLU VAL ASN SEQRES 1 A 84 GLU GLN THR ILE PRO ILE VAL LYS HIS GLN LEU VAL LYS SEQRES 2 A 84 VAL GLY ARG ASN ASP LYS GLU CYS GLN LEU VAL LEU THR SEQRES 3 A 84 ASN PRO SER ILE SER SER VAL HIS CYS VAL PHE TRP CYS SEQRES 4 A 84 VAL PHE PHE ASP GLU ASP SER ILE PRO MET PHE TYR VAL SEQRES 5 A 84 LYS ASP CYS SER LEU ASN GLY THR TYR LEU ASN GLY LEU SEQRES 6 A 84 LEU LEU LYS ARG ASP LYS THR TYR LEU LEU LYS HIS CYS SEQRES 7 A 84 ASP VAL ILE GLU LEU SER SEQRES 1 A 9 THR ARG LEU VAL PHE MET ILE ASN ASP HET ILE A 210 123 ATOM 1 N VAL A 21 32.117 20.398 16.014 1.00 53.73 N ATOM 2 CA VAL A 21 30.796 20.125 16.568 1.00 51.74 C ATOM 3 C VAL A 21 30.684 18.671 17.022 1.00 38.48 C ATOM 4 O VAL A 21 30.497 17.760 16.209 1.00 39.50 O ATOM 5 CB VAL A 21 29.696 20.463 15.551 1.00 59.58 C ATOM 6 CG1 VAL A 21 28.325 20.102 16.105 1.00 57.69 C ATOM 7 CG2 VAL A 21 29.757 21.938 15.184 1.00 65.81 C ATOM 8 HN3 VAL A 21 32.283 19.778 15.196 1.00 0.00 H ATOM 9 HN2 VAL A 21 32.840 20.217 16.740 1.00 0.00 H ATOM 10 HN1 VAL A 21 32.167 21.392 15.713 1.00 0.00 H ATOM 11 N ALA A 22 30.798 18.464 18.328 1.00 37.11 N ATOM 12 CA ALA A 22 30.669 17.135 18.893 1.00 30.24 C ATOM 13 C ALA A 22 29.230 16.638 18.765 1.00 33.64 C ATOM 14 O ALA A 22 28.303 17.431 18.580 1.00 28.63 O ATOM 15 CB ALA A 22 31.102 17.144 20.349 1.00 28.81 C ATOM 16 H ALA A 22 30.983 19.270 18.958 1.00 0.00 H ATOM 17 N PRO A 23 29.025 15.320 18.827 1.00 30.36 N ATOM 18 CA PRO A 23 27.652 14.794 18.762 1.00 28.22 C ATOM 19 C PRO A 23 26.731 15.413 19.801 1.00 28.77 C ATOM 20 O PRO A 23 25.560 15.680 19.510 1.00 24.83 O ATOM 21 CB PRO A 23 27.859 13.291 18.985 1.00 25.98 C ATOM 22 CG PRO A 23 29.244 13.035 18.375 1.00 26.44 C ATOM 23 CD PRO A 23 30.041 14.248 18.766 1.00 29.19 C ATOM 24 N ALA A 24 27.250 15.681 20.995 1.00 23.19 N ATOM 25 CA ALA A 24 26.492 16.300 22.074 1.00 20.00 C ATOM 26 C ALA A 24 27.483 16.987 23.001 1.00 27.19 C ATOM 27 O ALA A 24 28.693 16.771 22.909 1.00 23.76 O ATOM 28 CB ALA A 24 25.675 15.278 22.852 1.00 21.62 C ATOM 29 H ALA A 24 28.246 15.437 21.167 1.00 0.00 H ATOM 30 N HIS A 25 26.966 17.802 23.917 1.00 22.51 N ATOM 31 CA HIS A 25 27.839 18.423 24.911 1.00 23.40 C ATOM 32 C HIS A 25 27.045 18.715 26.171 1.00 24.02 C ATOM 33 O HIS A 25 25.808 18.688 26.176 1.00 23.36 O ATOM 34 CB HIS A 25 28.489 19.704 24.378 1.00 23.77 C ATOM 35 CG HIS A 25 27.518 20.811 24.101 1.00 29.76 C ATOM 36 ND1 HIS A 25 26.920 20.985 22.871 1.00 40.04 N ATOM 37 CD2 HIS A 25 27.063 21.815 24.886 1.00 34.13 C ATOM 38 CE1 HIS A 25 26.127 22.041 22.915 1.00 43.21 C ATOM 39 NE2 HIS A 25 26.193 22.562 24.126 1.00 37.98 N ATOM 40 H HIS A 25 25.944 17.996 23.926 1.00 0.00 H ATOM 41 N LEU A 26 27.777 18.983 27.249 1.00 21.71 N ATOM 42 CA LEU A 26 27.198 19.383 28.524 1.00 22.31 C ATOM 43 C LEU A 26 27.470 20.865 28.734 1.00 24.80 C ATOM 44 O LEU A 26 28.608 21.314 28.569 1.00 27.05 O ATOM 45 CB LEU A 26 27.799 18.571 29.679 1.00 22.33 C ATOM 46 CG LEU A 26 27.639 17.055 29.666 1.00 24.60 C ATOM 47 CD1 LEU A 26 28.508 16.441 30.750 1.00 31.69 C ATOM 48 CD2 LEU A 26 26.190 16.686 29.879 1.00 27.43 C ATOM 49 H LEU A 26 28.811 18.903 27.178 1.00 0.00 H ATOM 50 N GLU A 27 26.428 21.623 29.064 1.00 26.31 N ATOM 51 CA GLU A 27 26.563 23.008 29.506 1.00 31.65 C ATOM 52 C GLU A 27 26.552 23.032 31.028 1.00 34.73 C ATOM 53 O GLU A 27 25.622 22.514 31.654 1.00 30.94 O ATOM 54 CB GLU A 27 25.438 23.887 28.955 1.00 40.15 C ATOM 55 CG GLU A 27 25.500 24.104 27.456 1.00 46.58 C ATOM 56 CD GLU A 27 24.478 25.111 26.959 1.00 58.10 C ATOM 57 OE1 GLU A 27 23.863 25.816 27.790 1.00 55.62 O ATOM 58 OE2 GLU A 27 24.291 25.197 25.727 1.00 66.78 O ATOM 59 H GLU A 27 25.475 21.211 29.005 1.00 0.00 H ATOM 60 N VAL A 28 27.584 23.623 31.619 1.00 32.15 N ATOM 61 CA VAL A 28 27.783 23.592 33.064 1.00 35.71 C ATOM 62 C VAL A 28 27.348 24.924 33.653 1.00 37.22 C ATOM 63 O VAL A 28 27.834 25.983 33.240 1.00 38.30 O ATOM 64 CB VAL A 28 29.250 23.298 33.413 1.00 44.69 C ATOM 65 CG1 VAL A 28 29.415 23.183 34.915 1.00 42.83 C ATOM 66 CG2 VAL A 28 29.703 22.032 32.714 1.00 42.24 C ATOM 67 H VAL A 28 28.277 24.127 31.029 1.00 0.00 H ATOM 68 N ASN A 29 26.447 24.873 34.628 1.00 40.02 N ATOM 69 CA ASN A 29 25.984 26.086 35.287 1.00 50.60 C ATOM 70 C ASN A 29 26.120 25.970 36.805 1.00 51.81 C ATOM 71 O ASN A 29 25.978 24.887 37.375 1.00 46.87 O ATOM 72 CB ASN A 29 24.536 26.383 34.897 1.00 57.90 C ATOM 73 CG ASN A 29 24.123 27.809 35.221 1.00 70.39 C ATOM 74 OD1 ASN A 29 24.577 28.395 36.206 1.00 75.56 O ATOM 75 ND2 ASN A 29 23.263 28.377 34.383 1.00 72.04 N ATOM 76 HD22 ASN A 29 22.906 27.844 33.564 1.00 0.00 H ATOM 77 HD21 ASN A 29 22.947 29.354 34.546 1.00 0.00 H ATOM 78 H ASN A 29 26.066 23.952 34.925 1.00 0.00 H TER 79 ASN A 29 ATOM 80 N GLU A 36 30.028 29.719 30.930 1.00 81.51 N ATOM 81 CA GLU A 36 30.955 28.755 31.510 1.00 79.40 C ATOM 82 C GLU A 36 31.528 27.855 30.418 1.00 80.17 C ATOM 83 O GLU A 36 31.510 28.209 29.236 1.00 78.27 O ATOM 84 CB GLU A 36 30.262 27.919 32.592 1.00 73.16 C ATOM 85 CG GLU A 36 29.621 28.731 33.719 1.00 76.95 C ATOM 86 CD GLU A 36 28.256 29.316 33.353 1.00 85.64 C ATOM 87 OE1 GLU A 36 28.023 29.629 32.165 1.00 87.32 O ATOM 88 OE2 GLU A 36 27.411 29.467 34.261 1.00 88.59 O ATOM 89 HN3 GLU A 36 29.250 29.212 30.462 1.00 0.00 H ATOM 90 HN2 GLU A 36 30.530 30.305 30.233 1.00 0.00 H ATOM 91 HN1 GLU A 36 29.645 30.326 31.683 1.00 0.00 H ATOM 92 N GLN A 37 32.036 26.691 30.812 1.00 79.67 N ATOM 93 CA GLN A 37 32.677 25.771 29.885 1.00 74.92 C ATOM 94 C GLN A 37 31.706 24.676 29.460 1.00 63.11 C ATOM 95 O GLN A 37 30.775 24.324 30.190 1.00 62.83 O ATOM 96 CB GLN A 37 33.931 25.149 30.511 1.00 72.28 C ATOM 97 CG GLN A 37 34.885 24.512 29.507 1.00 66.01 C ATOM 98 CD GLN A 37 35.237 25.448 28.364 1.00 69.10 C ATOM 99 OE1 GLN A 37 35.764 26.544 28.579 1.00 72.64 O ATOM 100 NE2 GLN A 37 34.938 25.025 27.140 1.00 59.96 N ATOM 101 HE22 GLN A 37 34.494 24.094 27.005 1.00 0.00 H ATOM 102 HE21 GLN A 37 35.148 25.625 26.317 1.00 0.00 H ATOM 103 H GLN A 37 31.973 26.429 31.817 1.00 0.00 H ATOM 104 N THR A 38 31.921 24.157 28.256 1.00 57.61 N ATOM 105 CA THR A 38 31.166 23.029 27.738 1.00 49.42 C ATOM 106 C THR A 38 32.077 21.815 27.624 1.00 36.32 C ATOM 107 O THR A 38 33.280 21.939 27.374 1.00 42.71 O ATOM 108 CB THR A 38 30.547 23.340 26.371 1.00 59.17 C ATOM 109 OG1 THR A 38 31.585 23.607 25.420 1.00 68.29 O ATOM 110 CG2 THR A 38 29.624 24.545 26.463 1.00 61.32 C ATOM 111 HG1 THR A 38 32.172 22.813 25.342 1.00 0.00 H ATOM 112 H THR A 38 32.662 24.576 27.659 1.00 0.00 H ATOM 113 N ILE A 39 31.488 20.643 27.829 1.00 25.59 N ATOM 114 CA ILE A 39 32.191 19.366 27.790 1.00 27.87 C ATOM 115 C ILE A 39 31.631 18.583 26.611 1.00 28.39 C ATOM 116 O ILE A 39 30.430 18.268 26.606 1.00 28.14 O ATOM 117 CB ILE A 39 31.989 18.586 29.100 1.00 26.83 C ATOM 118 CG1 ILE A 39 32.290 19.472 30.315 1.00 33.02 C ATOM 119 CG2 ILE A 39 32.811 17.318 29.107 1.00 34.63 C ATOM 120 CD1 ILE A 39 33.695 20.032 30.347 1.00 34.95 C ATOM 121 H ILE A 39 30.467 20.635 28.029 1.00 0.00 H ATOM 122 N PRO A 40 32.428 18.255 25.600 1.00 31.24 N ATOM 123 CA PRO A 40 31.898 17.463 24.486 1.00 28.49 C ATOM 124 C PRO A 40 31.702 16.011 24.885 1.00 27.49 C ATOM 125 O PRO A 40 32.414 15.470 25.735 1.00 25.62 O ATOM 126 CB PRO A 40 32.972 17.606 23.400 1.00 31.28 C ATOM 127 CG PRO A 40 34.237 17.848 24.163 1.00 35.77 C ATOM 128 CD PRO A 40 33.846 18.613 25.407 1.00 34.70 C ATOM 129 N ILE A 41 30.698 15.387 24.273 1.00 21.71 N ATOM 130 CA ILE A 41 30.485 13.944 24.355 1.00 22.56 C ATOM 131 C ILE A 41 30.690 13.394 22.948 1.00 24.93 C ATOM 132 O ILE A 41 29.962 13.774 22.025 1.00 24.84 O ATOM 133 CB ILE A 41 29.083 13.617 24.888 1.00 22.40 C ATOM 134 CG1 ILE A 41 28.930 14.107 26.335 1.00 19.15 C ATOM 135 CG2 ILE A 41 28.767 12.126 24.786 1.00 22.88 C ATOM 136 CD1 ILE A 41 27.462 14.090 26.792 1.00 25.61 C ATOM 137 H ILE A 41 30.033 15.954 23.709 1.00 0.00 H ATOM 138 N VAL A 42 31.703 12.541 22.771 1.00 19.89 N ATOM 139 CA VAL A 42 32.073 12.011 21.458 1.00 22.12 C ATOM 140 C VAL A 42 32.022 10.486 21.517 1.00 24.21 C ATOM 141 O VAL A 42 31.849 9.888 22.585 1.00 27.82 O ATOM 142 CB VAL A 42 33.464 12.486 20.974 1.00 21.55 C ATOM 143 CG1 VAL A 42 33.537 14.008 20.855 1.00 25.31 C ATOM 144 CG2 VAL A 42 34.599 11.942 21.867 1.00 25.72 C ATOM 145 H VAL A 42 32.252 12.241 23.602 1.00 0.00 H ATOM 146 N LYS A 43 32.161 9.869 20.342 1.00 23.46 N ATOM 147 CA LYS A 43 32.153 8.417 20.226 1.00 27.14 C ATOM 148 C LYS A 43 33.280 7.816 21.039 1.00 33.41 C ATOM 149 O LYS A 43 34.379 8.378 21.114 1.00 29.89 O ATOM 150 CB LYS A 43 32.337 7.969 18.774 1.00 30.29 C ATOM 151 CG LYS A 43 31.231 8.283 17.808 1.00 38.28 C ATOM 152 CD LYS A 43 31.505 7.618 16.451 1.00 43.07 C ATOM 153 CE LYS A 43 30.496 8.067 15.396 1.00 47.03 C ATOM 154 NZ LYS A 43 30.728 7.446 14.054 1.00 50.59 N ATOM 155 HZ1 LYS A 43 31.676 7.705 13.713 1.00 0.00 H ATOM 156 HZ2 LYS A 43 30.658 6.412 14.135 1.00 0.00 H ATOM 157 HZ3 LYS A 43 30.011 7.792 13.385 1.00 0.00 H ATOM 158 H LYS A 43 32.279 10.443 19.482 1.00 0.00 H ATOM 159 N HIS A 44 33.012 6.644 21.617 1.00 22.90 N ATOM 160 CA HIS A 44 34.051 5.780 22.178 1.00 24.72 C ATOM 161 C HIS A 44 34.760 6.414 23.366 1.00 33.25 C ATOM 162 O HIS A 44 35.941 6.133 23.612 1.00 35.73 O ATOM 163 CB HIS A 44 35.079 5.392 21.115 1.00 31.94 C ATOM 164 CG HIS A 44 34.508 4.602 19.979 1.00 40.25 C ATOM 165 ND1 HIS A 44 34.679 4.962 18.659 1.00 48.84 N ATOM 166 CD2 HIS A 44 33.764 3.471 19.968 1.00 49.02 C ATOM 167 CE1 HIS A 44 34.068 4.084 17.883 1.00 54.22 C ATOM 168 NE2 HIS A 44 33.505 3.170 18.652 1.00 54.46 N ATOM 169 H HIS A 44 32.022 6.331 21.671 1.00 0.00 H ATOM 170 N GLN A 45 34.060 7.275 24.090 1.00 30.02 N ATOM 171 CA GLN A 45 34.633 8.007 25.207 1.00 28.15 C ATOM 172 C GLN A 45 33.657 7.952 26.371 1.00 28.26 C ATOM 173 O GLN A 45 32.455 8.166 26.188 1.00 27.18 O ATOM 174 CB GLN A 45 34.918 9.461 24.803 1.00 37.09 C ATOM 175 CG GLN A 45 35.994 10.176 25.606 1.00 48.35 C ATOM 176 CD GLN A 45 35.739 11.679 25.725 1.00 48.54 C ATOM 177 OE1 GLN A 45 34.723 12.192 25.245 1.00 56.02 O ATOM 178 NE2 GLN A 45 36.661 12.388 26.369 1.00 39.50 N ATOM 179 HE22 GLN A 45 37.502 11.916 26.758 1.00 0.00 H ATOM 180 HE21 GLN A 45 36.541 13.415 26.484 1.00 0.00 H ATOM 181 H GLN A 45 33.061 7.433 23.849 1.00 0.00 H ATOM 182 N LEU A 46 34.166 7.670 27.566 1.00 23.18 N ATOM 183 CA LEU A 46 33.378 7.763 28.788 1.00 22.18 C ATOM 184 C LEU A 46 33.713 9.112 29.406 1.00 28.99 C ATOM 185 O LEU A 46 34.861 9.349 29.801 1.00 25.90 O ATOM 186 CB LEU A 46 33.705 6.613 29.740 1.00 29.04 C ATOM 187 CG LEU A 46 32.842 6.442 30.983 1.00 33.93 C ATOM 188 CD1 LEU A 46 31.377 6.203 30.582 1.00 37.39 C ATOM 189 CD2 LEU A 46 33.356 5.296 31.840 1.00 37.62 C ATOM 190 H LEU A 46 35.161 7.373 27.631 1.00 0.00 H ATOM 191 N VAL A 47 32.726 10.000 29.469 1.00 22.15 N ATOM 192 CA VAL A 47 32.924 11.325 30.039 1.00 18.25 C ATOM 193 C VAL A 47 32.560 11.272 31.520 1.00 20.19 C ATOM 194 O VAL A 47 31.389 11.103 31.876 1.00 24.23 O ATOM 195 CB VAL A 47 32.097 12.380 29.302 1.00 25.46 C ATOM 196 CG1 VAL A 47 32.284 13.720 29.993 1.00 25.59 C ATOM 197 CG2 VAL A 47 32.540 12.449 27.845 1.00 28.83 C ATOM 198 H VAL A 47 31.788 9.742 29.102 1.00 0.00 H ATOM 199 N LYS A 48 33.554 11.474 32.380 1.00 21.76 N ATOM 200 CA LYS A 48 33.387 11.349 33.826 1.00 24.02 C ATOM 201 C LYS A 48 33.288 12.725 34.472 1.00 19.66 C ATOM 202 O LYS A 48 34.112 13.600 34.196 1.00 23.37 O ATOM 203 CB LYS A 48 34.561 10.582 34.430 1.00 22.54 C ATOM 204 CG LYS A 48 34.713 9.172 33.897 1.00 23.63 C ATOM 205 CD LYS A 48 35.898 8.468 34.518 1.00 29.47 C ATOM 206 CE LYS A 48 36.079 7.085 33.912 1.00 29.01 C ATOM 207 NZ LYS A 48 37.357 6.465 34.350 1.00 43.64 N ATOM 208 HZ1 LYS A 48 38.152 7.064 34.050 1.00 0.00 H ATOM 209 HZ2 LYS A 48 37.360 6.375 35.386 1.00 0.00 H ATOM 210 HZ3 LYS A 48 37.450 5.523 33.919 1.00 0.00 H ATOM 211 H LYS A 48 34.490 11.732 32.007 1.00 0.00 H ATOM 212 N VAL A 49 32.282 12.905 35.327 1.00 22.81 N ATOM 213 CA VAL A 49 32.080 14.136 36.083 1.00 22.42 C ATOM 214 C VAL A 49 32.320 13.809 37.550 1.00 20.17 C ATOM 215 O VAL A 49 31.758 12.837 38.066 1.00 22.04 O ATOM 216 CB VAL A 49 30.668 14.702 35.877 1.00 24.96 C ATOM 217 CG1 VAL A 49 30.532 16.052 36.591 1.00 23.71 C ATOM 218 CG2 VAL A 49 30.369 14.834 34.390 1.00 20.87 C ATOM 219 H VAL A 49 31.605 12.127 35.462 1.00 0.00 H ATOM 220 N GLY A 50 33.140 14.607 38.215 1.00 24.78 N ATOM 221 CA GLY A 50 33.449 14.287 39.596 1.00 24.73 C ATOM 222 C GLY A 50 34.454 15.249 40.173 1.00 22.28 C ATOM 223 O GLY A 50 34.804 16.261 39.566 1.00 24.40 O ATOM 224 H GLY A 50 33.554 15.445 37.758 1.00 0.00 H ATOM 225 N ARG A 51 34.908 14.922 41.379 1.00 20.38 N ATOM 226 CA ARG A 51 35.867 15.765 42.079 1.00 24.73 C ATOM 227 C ARG A 51 37.325 15.392 41.807 1.00 26.71 C ATOM 228 O ARG A 51 38.219 16.187 42.130 1.00 26.50 O ATOM 229 CB ARG A 51 35.582 15.705 43.592 1.00 29.55 C ATOM 230 CG ARG A 51 36.188 16.828 44.427 1.00 32.84 C ATOM 231 CD ARG A 51 35.466 16.962 45.779 1.00 30.57 C ATOM 232 NE ARG A 51 34.945 15.677 46.234 1.00 27.95 N ATOM 233 CZ ARG A 51 35.658 14.785 46.913 1.00 29.21 C ATOM 234 NH1 ARG A 51 36.927 15.041 47.226 1.00 29.20 N ATOM 235 NH2 ARG A 51 35.104 13.633 47.273 1.00 28.31 N ATOM 236 HE ARG A 51 33.955 15.445 46.013 1.00 0.00 H ATOM 237 HH12 ARG A 51 37.483 14.341 47.758 1.00 0.00 H ATOM 238 HH11 ARG A 51 37.362 15.941 46.939 1.00 0.00 H ATOM 239 HH22 ARG A 51 35.659 12.933 47.805 1.00 0.00 H ATOM 240 HH21 ARG A 51 34.115 13.431 47.023 1.00 0.00 H ATOM 241 H ARG A 51 34.572 14.048 41.831 1.00 0.00 H ATOM 242 N ASN A 52 37.598 14.219 41.233 1.00 22.39 N ATOM 243 CA ASN A 52 38.971 13.722 41.086 1.00 25.52 C ATOM 244 C ASN A 52 39.561 14.259 39.785 1.00 23.85 C ATOM 245 O ASN A 52 39.248 13.770 38.695 1.00 24.79 O ATOM 246 CB ASN A 52 38.998 12.199 41.119 1.00 26.74 C ATOM 247 CG ASN A 52 40.408 11.619 41.108 1.00 28.63 C ATOM 248 OD1 ASN A 52 40.573 10.402 41.151 1.00 41.98 O ATOM 249 ND2 ASN A 52 41.425 12.472 41.077 1.00 30.52 N ATOM 250 HD22 ASN A 52 41.244 13.496 41.041 1.00 0.00 H ATOM 251 HD21 ASN A 52 42.402 12.117 41.089 1.00 0.00 H ATOM 252 H ASN A 52 36.812 13.638 40.878 1.00 0.00 H ATOM 253 N ASP A 53 40.430 15.262 39.903 1.00 24.94 N ATOM 254 CA ASP A 53 41.049 15.843 38.718 1.00 29.73 C ATOM 255 C ASP A 53 42.047 14.903 38.054 1.00 35.00 C ATOM 256 O ASP A 53 42.502 15.199 36.940 1.00 29.86 O ATOM 257 CB ASP A 53 41.715 17.182 39.065 1.00 37.83 C ATOM 258 CG ASP A 53 42.766 17.074 40.170 1.00 46.11 C ATOM 259 OD1 ASP A 53 43.191 15.956 40.535 1.00 45.41 O ATOM 260 OD2 ASP A 53 43.182 18.142 40.669 1.00 45.02 O ATOM 261 H ASP A 53 40.668 15.632 40.845 1.00 0.00 H ATOM 262 N LYS A 54 42.392 13.782 38.695 1.00 26.78 N ATOM 263 CA LYS A 54 43.223 12.782 38.034 1.00 27.74 C ATOM 264 C LYS A 54 42.434 11.859 37.117 1.00 26.15 C ATOM 265 O LYS A 54 43.039 11.042 36.420 1.00 27.11 O ATOM 266 CB LYS A 54 43.968 11.938 39.062 1.00 31.19 C ATOM 267 CG LYS A 54 44.957 12.745 39.874 1.00 34.53 C ATOM 268 CD LYS A 54 45.947 11.848 40.590 1.00 43.63 C ATOM 269 CE LYS A 54 47.068 12.676 41.204 1.00 51.37 C ATOM 270 NZ LYS A 54 47.324 12.271 42.618 1.00 62.41 N ATOM 271 HZ1 LYS A 54 46.460 12.412 43.180 1.00 0.00 H ATOM 272 HZ2 LYS A 54 47.597 11.268 42.646 1.00 0.00 H ATOM 273 HZ3 LYS A 54 48.092 12.852 43.010 1.00 0.00 H ATOM 274 H LYS A 54 42.066 13.622 39.670 1.00 0.00 H ATOM 275 N GLU A 55 41.111 11.953 37.116 1.00 24.96 N ATOM 276 CA GLU A 55 40.292 11.020 36.343 1.00 31.74 C ATOM 277 C GLU A 55 39.126 11.657 35.605 1.00 24.85 C ATOM 278 O GLU A 55 38.661 11.074 34.617 1.00 25.11 O ATOM 279 CB GLU A 55 39.745 9.914 37.254 1.00 33.00 C ATOM 280 CG GLU A 55 39.268 8.678 36.516 1.00 45.69 C ATOM 281 CD GLU A 55 38.921 7.540 37.455 1.00 51.45 C ATOM 282 OE1 GLU A 55 39.301 7.609 38.646 1.00 48.28 O ATOM 283 OE2 GLU A 55 38.274 6.576 36.993 1.00 54.51 O ATOM 284 H GLU A 55 40.650 12.701 37.673 1.00 0.00 H ATOM 285 N CYS A 56 38.629 12.814 36.014 1.00 22.11 N ATOM 286 CA CYS A 56 37.389 13.343 35.457 1.00 22.81 C ATOM 287 C CYS A 56 37.647 14.353 34.348 1.00 25.67 C ATOM 288 O CYS A 56 38.587 15.147 34.425 1.00 27.96 O ATOM 289 CB CYS A 56 36.547 14.001 36.548 1.00 26.43 C ATOM 290 SG CYS A 56 35.946 12.825 37.778 1.00 24.56 S ATOM 291 H CYS A 56 39.132 13.356 36.746 1.00 0.00 H ATOM 292 N GLN A 57 36.767 14.336 33.336 1.00 26.06 N ATOM 293 CA GLN A 57 36.797 15.311 32.247 1.00 38.79 C ATOM 294 C GLN A 57 36.189 16.643 32.662 1.00 31.82 C ATOM 295 O GLN A 57 36.551 17.690 32.116 1.00 37.99 O ATOM 296 CB GLN A 57 36.034 14.769 31.030 1.00 39.18 C ATOM 297 CG GLN A 57 36.776 13.705 30.235 1.00 38.19 C ATOM 298 CD GLN A 57 37.053 12.474 31.050 1.00 33.75 C ATOM 299 OE1 GLN A 57 36.152 11.901 31.656 1.00 24.03 O ATOM 300 NE2 GLN A 57 38.318 12.089 31.123 1.00 45.33 N ATOM 301 HE22 GLN A 57 39.050 12.604 30.593 1.00 0.00 H ATOM 302 HE21 GLN A 57 38.580 11.272 31.711 1.00 0.00 H ATOM 303 H GLN A 57 36.033 13.599 33.326 1.00 0.00 H ATOM 304 N LEU A 58 35.246 16.613 33.591 1.00 27.22 N ATOM 305 CA LEU A 58 34.639 17.805 34.162 1.00 23.98 C ATOM 306 C LEU A 58 34.820 17.707 35.665 1.00 21.95 C ATOM 307 O LEU A 58 34.245 16.812 36.292 1.00 23.71 O ATOM 308 CB LEU A 58 33.153 17.889 33.809 1.00 28.41 C ATOM 309 CG LEU A 58 32.306 18.915 34.563 1.00 37.02 C ATOM 310 CD1 LEU A 58 32.892 20.313 34.447 1.00 42.88 C ATOM 311 CD2 LEU A 58 30.875 18.874 34.032 1.00 43.19 C ATOM 312 H LEU A 58 34.921 15.685 33.931 1.00 0.00 H ATOM 313 N VAL A 59 35.600 18.618 36.233 1.00 28.31 N ATOM 314 CA VAL A 59 35.985 18.550 37.639 1.00 28.76 C ATOM 315 C VAL A 59 35.165 19.571 38.412 1.00 30.37 C ATOM 316 O VAL A 59 35.213 20.773 38.115 1.00 28.58 O ATOM 317 CB VAL A 59 37.487 18.790 37.836 1.00 35.52 C ATOM 318 CG1 VAL A 59 37.830 18.762 39.324 1.00 30.81 C ATOM 319 CG2 VAL A 59 38.295 17.743 37.071 1.00 32.52 C ATOM 320 H VAL A 59 35.950 19.409 35.655 1.00 0.00 H ATOM 321 N LEU A 60 34.434 19.089 39.413 1.00 27.61 N ATOM 322 CA LEU A 60 33.628 19.912 40.303 1.00 30.43 C ATOM 323 C LEU A 60 34.160 19.725 41.715 1.00 33.76 C ATOM 324 O LEU A 60 34.370 18.589 42.151 1.00 37.00 O ATOM 325 CB LEU A 60 32.154 19.517 40.232 1.00 31.28 C ATOM 326 CG LEU A 60 31.571 19.486 38.820 1.00 30.87 C ATOM 327 CD1 LEU A 60 30.151 18.992 38.865 1.00 38.31 C ATOM 328 CD2 LEU A 60 31.630 20.864 38.200 1.00 35.74 C ATOM 329 H LEU A 60 34.438 18.061 39.570 1.00 0.00 H ATOM 330 N THR A 61 34.371 20.825 42.427 1.00 28.77 N ATOM 331 CA THR A 61 35.156 20.779 43.651 1.00 29.56 C ATOM 332 C THR A 61 34.312 20.733 44.917 1.00 34.40 C ATOM 333 O THR A 61 34.879 20.673 46.012 1.00 41.78 O ATOM 334 CB THR A 61 36.104 21.977 43.711 1.00 43.24 C ATOM 335 OG1 THR A 61 35.338 23.188 43.727 1.00 46.49 O ATOM 336 CG2 THR A 61 37.035 21.976 42.500 1.00 46.40 C ATOM 337 HG1 THR A 61 34.789 23.241 42.905 1.00 0.00 H ATOM 338 H THR A 61 33.971 21.730 42.106 1.00 0.00 H ATOM 339 N ASN A 62 32.989 20.761 44.806 1.00 38.00 N ATOM 340 CA ASN A 62 32.152 20.698 45.999 1.00 39.53 C ATOM 341 C ASN A 62 32.433 19.407 46.765 1.00 33.82 C ATOM 342 O ASN A 62 32.392 18.320 46.169 1.00 32.46 O ATOM 343 CB ASN A 62 30.673 20.773 45.629 1.00 40.06 C ATOM 344 CG ASN A 62 29.778 20.876 46.849 1.00 51.54 C ATOM 345 OD1 ASN A 62 29.638 19.922 47.616 1.00 47.38 O ATOM 346 ND2 ASN A 62 29.174 22.042 47.040 1.00 59.80 N ATOM 347 HD22 ASN A 62 29.321 22.820 46.366 1.00 0.00 H ATOM 348 HD21 ASN A 62 28.553 22.177 47.864 1.00 0.00 H ATOM 349 H ASN A 62 32.549 20.828 43.866 1.00 0.00 H ATOM 350 N PRO A 63 32.691 19.474 48.073 1.00 33.02 N ATOM 351 CA PRO A 63 33.128 18.270 48.804 1.00 30.10 C ATOM 352 C PRO A 63 32.092 17.158 48.885 1.00 28.90 C ATOM 353 O PRO A 63 32.455 16.047 49.292 1.00 32.85 O ATOM 354 CB PRO A 63 33.477 18.806 50.201 1.00 34.52 C ATOM 355 CG PRO A 63 32.820 20.147 50.290 1.00 37.57 C ATOM 356 CD PRO A 63 32.785 20.689 48.900 1.00 37.25 C ATOM 357 N SER A 64 30.832 17.401 48.523 1.00 30.51 N ATOM 358 CA SER A 64 29.825 16.345 48.514 1.00 27.53 C ATOM 359 C SER A 64 29.715 15.655 47.162 1.00 28.58 C ATOM 360 O SER A 64 28.921 14.714 47.022 1.00 26.90 O ATOM 361 CB SER A 64 28.458 16.900 48.928 1.00 39.00 C ATOM 362 OG SER A 64 27.847 17.609 47.865 1.00 39.60 O ATOM 363 HG SER A 64 27.720 17.001 47.094 1.00 0.00 H ATOM 364 H SER A 64 30.561 18.365 48.241 1.00 0.00 H ATOM 365 N ILE A 65 30.478 16.112 46.166 1.00 25.40 N ATOM 366 CA ILE A 65 30.578 15.432 44.877 1.00 26.53 C ATOM 367 C ILE A 65 31.562 14.277 45.010 1.00 23.03 C ATOM 368 O ILE A 65 32.641 14.432 45.595 1.00 25.53 O ATOM 369 CB ILE A 65 31.039 16.411 43.781 1.00 27.39 C ATOM 370 CG1 ILE A 65 30.096 17.602 43.673 1.00 27.26 C ATOM 371 CG2 ILE A 65 31.199 15.683 42.436 1.00 27.32 C ATOM 372 CD1 ILE A 65 28.780 17.265 43.111 1.00 26.25 C ATOM 373 H ILE A 65 31.022 16.986 46.314 1.00 0.00 H ATOM 374 N SER A 66 31.207 13.114 44.466 1.00 21.23 N ATOM 375 CA SER A 66 32.103 11.971 44.568 1.00 21.79 C ATOM 376 C SER A 66 33.305 12.110 43.637 1.00 24.02 C ATOM 377 O SER A 66 33.309 12.889 42.674 1.00 23.74 O ATOM 378 CB SER A 66 31.370 10.660 44.272 1.00 27.11 C ATOM 379 OG SER A 66 30.459 10.345 45.320 1.00 27.85 O ATOM 380 HG SER A 66 30.957 10.249 46.170 1.00 0.00 H ATOM 381 H SER A 66 30.296 13.023 43.972 1.00 0.00 H ATOM 382 N SER A 67 34.326 11.304 43.938 1.00 24.04 N ATOM 383 CA SER A 67 35.564 11.295 43.156 1.00 20.78 C ATOM 384 C SER A 67 35.264 11.100 41.676 1.00 24.55 C ATOM 385 O SER A 67 35.695 11.886 40.827 1.00 22.56 O ATOM 386 CB SER A 67 36.480 10.188 43.663 1.00 28.84 C ATOM 387 OG SER A 67 37.570 9.975 42.788 1.00 37.24 O ATOM 388 HG SER A 67 37.229 9.716 41.895 1.00 0.00 H ATOM 389 H SER A 67 34.239 10.663 44.753 1.00 0.00 H ATOM 390 N VAL A 68 34.489 10.068 41.357 1.00 22.25 N ATOM 391 CA VAL A 68 33.789 9.974 40.080 1.00 21.00 C ATOM 392 C VAL A 68 32.305 9.884 40.410 1.00 23.94 C ATOM 393 O VAL A 68 31.867 8.942 41.084 1.00 25.61 O ATOM 394 CB VAL A 68 34.258 8.777 39.242 1.00 23.70 C ATOM 395 CG1 VAL A 68 33.436 8.691 37.959 1.00 26.56 C ATOM 396 CG2 VAL A 68 35.742 8.926 38.920 1.00 27.87 C ATOM 397 H VAL A 68 34.377 9.296 42.045 1.00 0.00 H ATOM 398 N HIS A 69 31.546 10.884 39.979 1.00 18.29 N ATOM 399 CA HIS A 69 30.168 11.050 40.430 1.00 21.83 C ATOM 400 C HIS A 69 29.152 10.476 39.447 1.00 22.48 C ATOM 401 O HIS A 69 28.265 9.707 39.834 1.00 21.63 O ATOM 402 CB HIS A 69 29.879 12.532 40.675 1.00 25.69 C ATOM 403 CG HIS A 69 28.651 12.773 41.493 1.00 24.71 C ATOM 404 ND1 HIS A 69 28.701 13.130 42.828 1.00 24.07 N ATOM 405 CD2 HIS A 69 27.339 12.697 41.170 1.00 22.95 C ATOM 406 CE1 HIS A 69 27.468 13.268 43.287 1.00 23.89 C ATOM 407 NE2 HIS A 69 26.624 13.013 42.301 1.00 22.59 N ATOM 408 H HIS A 69 31.943 11.567 39.303 1.00 0.00 H ATOM 409 N CYS A 70 29.255 10.843 38.177 1.00 19.37 N ATOM 410 CA CYS A 70 28.396 10.250 37.160 1.00 19.02 C ATOM 411 C CYS A 70 29.161 10.268 35.850 1.00 21.67 C ATOM 412 O CYS A 70 30.161 10.976 35.713 1.00 21.23 O ATOM 413 CB CYS A 70 27.056 10.987 37.054 1.00 19.28 C ATOM 414 SG CYS A 70 27.155 12.701 36.543 1.00 26.44 S ATOM 415 H CYS A 70 29.956 11.561 37.904 1.00 0.00 H ATOM 416 N VAL A 71 28.706 9.455 34.891 1.00 21.64 N ATOM 417 CA VAL A 71 29.430 9.262 33.639 1.00 18.11 C ATOM 418 C VAL A 71 28.455 9.386 32.473 1.00 18.50 C ATOM 419 O VAL A 71 27.268 9.074 32.605 1.00 19.35 O ATOM 420 CB VAL A 71 30.167 7.902 33.608 1.00 22.52 C ATOM 421 CG1 VAL A 71 31.144 7.798 34.789 1.00 23.08 C ATOM 422 CG2 VAL A 71 29.199 6.743 33.653 1.00 25.09 C ATOM 423 H VAL A 71 27.812 8.946 35.042 1.00 0.00 H ATOM 424 N PHE A 72 28.962 9.882 31.342 1.00 19.22 N ATOM 425 CA PHE A 72 28.158 10.133 30.145 1.00 18.94 C ATOM 426 C PHE A 72 28.793 9.417 28.963 1.00 19.53 C ATOM 427 O PHE A 72 30.018 9.384 28.845 1.00 19.38 O ATOM 428 CB PHE A 72 28.080 11.635 29.823 1.00 20.26 C ATOM 429 CG PHE A 72 27.258 12.434 30.796 1.00 19.20 C ATOM 430 CD1 PHE A 72 27.827 12.938 31.962 1.00 21.51 C ATOM 431 CD2 PHE A 72 25.924 12.685 30.542 1.00 22.13 C ATOM 432 CE1 PHE A 72 27.060 13.681 32.848 1.00 22.00 C ATOM 433 CE2 PHE A 72 25.153 13.417 31.428 1.00 26.60 C ATOM 434 CZ PHE A 72 25.723 13.912 32.587 1.00 25.10 C ATOM 435 H PHE A 72 29.978 10.101 31.310 1.00 0.00 H ATOM 436 N TRP A 73 27.974 8.873 28.056 1.00 18.77 N ATOM 437 CA TRP A 73 28.562 8.308 26.851 1.00 17.63 C ATOM 438 C TRP A 73 27.497 8.292 25.758 1.00 17.90 C ATOM 439 O TRP A 73 26.339 8.661 25.986 1.00 20.00 O ATOM 440 CB TRP A 73 29.148 6.911 27.106 1.00 21.37 C ATOM 441 CG TRP A 73 28.152 5.807 27.350 1.00 22.10 C ATOM 442 CD1 TRP A 73 27.758 4.859 26.454 1.00 26.25 C ATOM 443 CD2 TRP A 73 27.447 5.520 28.574 1.00 18.36 C ATOM 444 NE1 TRP A 73 26.857 3.999 27.035 1.00 30.81 N ATOM 445 CE2 TRP A 73 26.648 4.379 28.335 1.00 24.47 C ATOM 446 CE3 TRP A 73 27.411 6.120 29.841 1.00 23.32 C ATOM 447 CZ2 TRP A 73 25.814 3.822 29.313 1.00 22.61 C ATOM 448 CZ3 TRP A 73 26.585 5.562 30.818 1.00 24.24 C ATOM 449 CH2 TRP A 73 25.797 4.424 30.543 1.00 18.78 C ATOM 450 HE1 TRP A 73 26.406 3.189 26.563 1.00 0.00 H ATOM 451 H TRP A 73 26.945 8.854 28.208 1.00 0.00 H ATOM 452 N CYS A 74 27.909 7.871 24.569 1.00 21.05 N ATOM 453 CA CYS A 74 26.981 7.745 23.450 1.00 23.14 C ATOM 454 C CYS A 74 27.253 6.449 22.704 1.00 25.46 C ATOM 455 O CYS A 74 28.325 5.843 22.829 1.00 26.04 O ATOM 456 CB CYS A 74 27.067 8.940 22.503 1.00 25.46 C ATOM 457 SG CYS A 74 28.550 9.047 21.495 1.00 29.04 S ATOM 458 H CYS A 74 28.911 7.627 24.432 1.00 0.00 H ATOM 459 N VAL A 75 26.253 6.017 21.933 1.00 24.47 N ATOM 460 CA VAL A 75 26.333 4.799 21.136 1.00 27.71 C ATOM 461 C VAL A 75 25.858 5.101 19.720 1.00 28.06 C ATOM 462 O VAL A 75 24.811 5.732 19.532 1.00 25.94 O ATOM 463 CB VAL A 75 25.504 3.650 21.747 1.00 30.18 C ATOM 464 CG1 VAL A 75 25.538 2.438 20.845 1.00 29.89 C ATOM 465 CG2 VAL A 75 26.031 3.286 23.133 1.00 29.10 C ATOM 466 H VAL A 75 25.376 6.575 21.899 1.00 0.00 H ATOM 467 N PHE A 76 26.648 4.671 18.736 1.00 28.56 N ATOM 468 CA PHE A 76 26.291 4.630 17.323 1.00 33.77 C ATOM 469 C PHE A 76 26.216 3.172 16.893 1.00 31.84 C ATOM 470 O PHE A 76 27.176 2.419 17.087 1.00 37.33 O ATOM 471 CB PHE A 76 27.342 5.330 16.455 1.00 38.37 C ATOM 472 CG PHE A 76 27.362 6.826 16.566 1.00 38.52 C ATOM 473 CD1 PHE A 76 27.888 7.449 17.686 1.00 36.56 C ATOM 474 CD2 PHE A 76 26.911 7.615 15.514 1.00 38.55 C ATOM 475 CE1 PHE A 76 27.926 8.838 17.775 1.00 35.47 C ATOM 476 CE2 PHE A 76 26.952 9.002 15.594 1.00 31.80 C ATOM 477 CZ PHE A 76 27.465 9.612 16.724 1.00 33.10 C ATOM 478 H PHE A 76 27.597 4.337 18.998 1.00 0.00 H ATOM 479 N PHE A 77 25.094 2.765 16.305 1.00 32.32 N ATOM 480 CA PHE A 77 25.045 1.408 15.775 1.00 35.19 C ATOM 481 C PHE A 77 25.891 1.297 14.514 1.00 47.35 C ATOM 482 O PHE A 77 26.615 0.313 14.325 1.00 55.80 O ATOM 483 CB PHE A 77 23.595 0.995 15.524 1.00 38.71 C ATOM 484 CG PHE A 77 22.770 0.924 16.781 1.00 39.58 C ATOM 485 CD1 PHE A 77 23.377 0.642 18.000 1.00 34.86 C ATOM 486 CD2 PHE A 77 21.403 1.146 16.752 1.00 41.69 C ATOM 487 CE1 PHE A 77 22.634 0.578 19.165 1.00 38.09 C ATOM 488 CE2 PHE A 77 20.653 1.085 17.918 1.00 39.59 C ATOM 489 CZ PHE A 77 21.270 0.803 19.125 1.00 37.78 C ATOM 490 H PHE A 77 24.273 3.399 16.226 1.00 0.00 H ATOM 491 N ASP A 78 25.819 2.307 13.651 1.00 50.31 N ATOM 492 CA ASP A 78 26.721 2.470 12.522 1.00 60.03 C ATOM 493 C ASP A 78 26.958 3.964 12.344 1.00 63.93 C ATOM 494 O ASP A 78 26.364 4.791 13.042 1.00 58.21 O ATOM 495 CB ASP A 78 26.156 1.820 11.253 1.00 63.74 C ATOM 496 CG ASP A 78 24.791 2.361 10.878 1.00 69.28 C ATOM 497 OD1 ASP A 78 24.717 3.509 10.396 1.00 72.96 O ATOM 498 OD2 ASP A 78 23.789 1.635 11.057 1.00 74.18 O ATOM 499 H ASP A 78 25.075 3.020 13.792 1.00 0.00 H ATOM 500 N GLU A 79 27.826 4.323 11.398 1.00 74.10 N ATOM 501 CA GLU A 79 28.189 5.729 11.254 1.00 80.57 C ATOM 502 C GLU A 79 27.059 6.575 10.673 1.00 77.23 C ATOM 503 O GLU A 79 27.107 7.805 10.784 1.00 78.56 O ATOM 504 CB GLU A 79 29.456 5.853 10.407 1.00 88.91 C ATOM 505 CG GLU A 79 30.671 5.231 11.081 1.00 92.68 C ATOM 506 CD GLU A 79 31.973 5.558 10.379 1.00100.36 C ATOM 507 OE1 GLU A 79 31.976 5.639 9.132 1.00105.76 O ATOM 508 OE2 GLU A 79 32.993 5.736 11.079 1.00 99.49 O ATOM 509 H GLU A 79 28.241 3.607 10.768 1.00 0.00 H ATOM 510 N ASP A 80 26.042 5.952 10.074 1.00 71.88 N ATOM 511 CA ASP A 80 24.850 6.669 9.633 1.00 68.98 C ATOM 512 C ASP A 80 23.762 6.725 10.697 1.00 69.45 C ATOM 513 O ASP A 80 22.752 7.408 10.492 1.00 74.56 O ATOM 514 CB ASP A 80 24.273 6.025 8.367 1.00 73.78 C ATOM 515 CG ASP A 80 25.139 6.257 7.148 1.00 81.03 C ATOM 516 OD1 ASP A 80 26.345 6.531 7.319 1.00 83.21 O ATOM 517 OD2 ASP A 80 24.614 6.160 6.018 1.00 88.64 O ATOM 518 H ASP A 80 26.101 4.926 9.917 1.00 0.00 H ATOM 519 N SER A 81 23.939 6.027 11.815 1.00 66.17 N ATOM 520 CA SER A 81 22.924 5.996 12.856 1.00 59.87 C ATOM 521 C SER A 81 22.803 7.347 13.547 1.00 45.10 C ATOM 522 O SER A 81 23.774 8.100 13.672 1.00 48.90 O ATOM 523 CB SER A 81 23.250 4.923 13.897 1.00 66.44 C ATOM 524 OG SER A 81 23.032 3.622 13.385 1.00 75.44 O ATOM 525 HG SER A 81 23.610 3.479 12.594 1.00 0.00 H ATOM 526 H SER A 81 24.821 5.492 11.948 1.00 0.00 H ATOM 527 N ILE A 82 21.586 7.652 13.985 1.00 40.78 N ATOM 528 CA ILE A 82 21.344 8.741 14.926 1.00 42.10 C ATOM 529 C ILE A 82 21.827 8.254 16.285 1.00 39.67 C ATOM 530 O ILE A 82 21.321 7.241 16.791 1.00 38.20 O ATOM 531 CB ILE A 82 19.863 9.136 14.972 1.00 46.77 C ATOM 532 CG1 ILE A 82 19.365 9.507 13.575 1.00 50.34 C ATOM 533 CG2 ILE A 82 19.646 10.281 15.960 1.00 46.44 C ATOM 534 CD1 ILE A 82 17.863 9.661 13.502 1.00 53.38 C ATOM 535 H ILE A 82 20.777 7.094 13.645 1.00 0.00 H ATOM 536 N PRO A 83 22.791 8.924 16.904 1.00 34.51 N ATOM 537 CA PRO A 83 23.370 8.398 18.142 1.00 26.44 C ATOM 538 C PRO A 83 22.365 8.435 19.283 1.00 29.27 C ATOM 539 O PRO A 83 21.387 9.184 19.267 1.00 27.73 O ATOM 540 CB PRO A 83 24.541 9.342 18.412 1.00 28.72 C ATOM 541 CG PRO A 83 24.137 10.623 17.753 1.00 29.75 C ATOM 542 CD PRO A 83 23.379 10.218 16.520 1.00 29.79 C ATOM 543 N MET A 84 22.624 7.608 20.292 1.00 24.52 N ATOM 544 CA MET A 84 21.869 7.652 21.533 1.00 22.79 C ATOM 545 C MET A 84 22.836 7.897 22.679 1.00 24.68 C ATOM 546 O MET A 84 24.002 7.504 22.610 1.00 22.99 O ATOM 547 CB MET A 84 21.095 6.363 21.748 1.00 27.66 C ATOM 548 CG MET A 84 20.296 5.979 20.520 1.00 39.93 C ATOM 549 SD MET A 84 19.093 4.733 20.912 1.00 50.39 S ATOM 550 CE MET A 84 17.900 5.709 21.827 1.00 46.27 C ATOM 551 H MET A 84 23.388 6.910 20.190 1.00 0.00 H ATOM 552 N PHE A 85 22.351 8.579 23.713 1.00 18.41 N ATOM 553 CA PHE A 85 23.202 9.149 24.749 1.00 19.35 C ATOM 554 C PHE A 85 22.711 8.702 26.116 1.00 19.14 C ATOM 555 O PHE A 85 21.509 8.557 26.335 1.00 20.53 O ATOM 556 CB PHE A 85 23.203 10.674 24.678 1.00 19.04 C ATOM 557 CG PHE A 85 23.716 11.211 23.375 1.00 20.21 C ATOM 558 CD1 PHE A 85 22.857 11.410 22.299 1.00 26.06 C ATOM 559 CD2 PHE A 85 25.050 11.496 23.226 1.00 21.94 C ATOM 560 CE1 PHE A 85 23.343 11.899 21.093 1.00 24.52 C ATOM 561 CE2 PHE A 85 25.554 11.979 22.015 1.00 27.03 C ATOM 562 CZ PHE A 85 24.692 12.181 20.949 1.00 24.84 C ATOM 563 H PHE A 85 21.322 8.711 23.785 1.00 0.00 H ATOM 564 N TYR A 86 23.650 8.525 27.050 1.00 23.29 N ATOM 565 CA TYR A 86 23.324 7.897 28.323 1.00 19.06 C ATOM 566 C TYR A 86 24.049 8.589 29.461 1.00 18.49 C ATOM 567 O TYR A 86 25.126 9.162 29.270 1.00 18.09 O ATOM 568 CB TYR A 86 23.700 6.423 28.322 1.00 19.27 C ATOM 569 CG TYR A 86 23.028 5.665 27.215 1.00 21.02 C ATOM 570 CD1 TYR A 86 21.745 5.181 27.385 1.00 19.30 C ATOM 571 CD2 TYR A 86 23.665 5.453 25.994 1.00 24.32 C ATOM 572 CE1 TYR A 86 21.098 4.503 26.377 1.00 24.84 C ATOM 573 CE2 TYR A 86 23.026 4.759 24.976 1.00 28.30 C ATOM 574 CZ TYR A 86 21.740 4.288 25.183 1.00 29.61 C ATOM 575 OH TYR A 86 21.069 3.600 24.200 1.00 32.26 O ATOM 576 HH TYR A 86 20.171 3.346 24.531 1.00 0.00 H ATOM 577 H TYR A 86 24.624 8.839 26.866 1.00 0.00 H ATOM 578 N VAL A 87 23.457 8.494 30.657 1.00 18.68 N ATOM 579 CA VAL A 87 24.110 8.872 31.911 1.00 17.92 C ATOM 580 C VAL A 87 23.961 7.722 32.897 1.00 18.89 C ATOM 581 O VAL A 87 22.991 6.952 32.850 1.00 18.82 O ATOM 582 CB VAL A 87 23.536 10.192 32.506 1.00 19.63 C ATOM 583 CG1 VAL A 87 22.064 10.043 32.897 1.00 19.71 C ATOM 584 CG2 VAL A 87 24.377 10.698 33.700 1.00 22.57 C ATOM 585 H VAL A 87 22.483 8.133 30.698 1.00 0.00 H ATOM 586 N LYS A 88 24.938 7.597 33.799 1.00 21.16 N ATOM 587 CA LYS A 88 24.883 6.606 34.862 1.00 18.31 C ATOM 588 C LYS A 88 25.483 7.229 36.116 1.00 19.60 C ATOM 589 O LYS A 88 26.570 7.800 36.058 1.00 22.61 O ATOM 590 CB LYS A 88 25.650 5.332 34.476 1.00 24.26 C ATOM 591 CG LYS A 88 25.789 4.299 35.589 1.00 31.73 C ATOM 592 CD LYS A 88 26.369 2.989 35.060 1.00 39.29 C ATOM 593 CE LYS A 88 27.838 3.129 34.695 1.00 52.20 C ATOM 594 NZ LYS A 88 28.347 1.917 33.982 1.00 61.66 N ATOM 595 HZ1 LYS A 88 28.239 1.084 34.596 1.00 0.00 H ATOM 596 HZ2 LYS A 88 27.803 1.777 33.107 1.00 0.00 H ATOM 597 HZ3 LYS A 88 29.352 2.050 33.749 1.00 0.00 H ATOM 598 H LYS A 88 25.763 8.227 33.739 1.00 0.00 H ATOM 599 N ASP A 89 24.760 7.129 37.228 1.00 21.23 N ATOM 600 CA ASP A 89 25.243 7.605 38.518 1.00 22.52 C ATOM 601 C ASP A 89 26.143 6.569 39.174 1.00 24.96 C ATOM 602 O ASP A 89 25.873 5.366 39.121 1.00 21.45 O ATOM 603 CB ASP A 89 24.064 7.915 39.444 1.00 23.92 C ATOM 604 CG ASP A 89 24.506 8.170 40.879 1.00 28.69 C ATOM 605 OD1 ASP A 89 25.110 9.234 41.134 1.00 25.60 O ATOM 606 OD2 ASP A 89 24.227 7.312 41.751 1.00 32.14 O ATOM 607 H ASP A 89 23.816 6.696 37.175 1.00 0.00 H ATOM 608 N CYS A 90 27.217 7.037 39.813 1.00 23.24 N ATOM 609 CA CYS A 90 28.051 6.140 40.605 1.00 23.97 C ATOM 610 C CYS A 90 28.544 6.844 41.859 1.00 25.69 C ATOM 611 O CYS A 90 29.708 6.713 42.245 1.00 27.16 O ATOM 612 CB CYS A 90 29.229 5.607 39.793 1.00 26.33 C ATOM 613 SG CYS A 90 30.118 6.881 38.845 1.00 34.27 S ATOM 614 H CYS A 90 27.460 8.046 39.746 1.00 0.00 H ATOM 615 N SER A 91 27.657 7.565 42.536 1.00 26.11 N ATOM 616 CA SER A 91 28.056 8.485 43.596 1.00 24.33 C ATOM 617 C SER A 91 27.550 8.055 44.969 1.00 28.42 C ATOM 618 O SER A 91 26.700 7.173 45.128 1.00 27.94 O ATOM 619 CB SER A 91 27.529 9.887 43.290 1.00 21.80 C ATOM 620 OG SER A 91 26.111 9.904 43.397 1.00 24.47 O ATOM 621 HG SER A 91 25.725 9.261 42.751 1.00 0.00 H ATOM 622 H SER A 91 26.648 7.471 42.303 1.00 0.00 H ATOM 623 N LEU A 92 28.082 8.746 45.971 1.00 23.50 N ATOM 624 CA LEU A 92 27.601 8.612 47.339 1.00 26.20 C ATOM 625 C LEU A 92 26.242 9.274 47.509 1.00 29.39 C ATOM 626 O LEU A 92 25.283 8.650 47.987 1.00 29.44 O ATOM 627 CB LEU A 92 28.615 9.253 48.284 1.00 26.83 C ATOM 628 CG LEU A 92 28.217 9.353 49.747 1.00 30.69 C ATOM 629 CD1 LEU A 92 28.086 7.975 50.342 1.00 37.02 C ATOM 630 CD2 LEU A 92 29.226 10.193 50.510 1.00 27.88 C ATOM 631 H LEU A 92 28.865 9.402 45.773 1.00 0.00 H ATOM 632 N ASN A 93 26.139 10.546 47.117 1.00 25.54 N ATOM 633 CA ASN A 93 24.997 11.371 47.484 1.00 25.09 C ATOM 634 C ASN A 93 23.902 11.424 46.427 1.00 26.10 C ATOM 635 O ASN A 93 22.799 11.875 46.739 1.00 27.67 O ATOM 636 CB ASN A 93 25.472 12.790 47.799 1.00 27.49 C ATOM 637 CG ASN A 93 26.233 12.850 49.100 1.00 29.72 C ATOM 638 OD1 ASN A 93 25.800 12.276 50.106 1.00 28.53 O ATOM 639 ND2 ASN A 93 27.379 13.515 49.090 1.00 26.73 N ATOM 640 HD22 ASN A 93 27.702 13.982 48.219 1.00 0.00 H ATOM 641 HD21 ASN A 93 27.956 13.570 49.954 1.00 0.00 H ATOM 642 H ASN A 93 26.895 10.959 46.534 1.00 0.00 H ATOM 643 N GLY A 94 24.171 10.996 45.207 1.00 24.87 N ATOM 644 CA GLY A 94 23.132 10.832 44.213 1.00 24.95 C ATOM 645 C GLY A 94 23.244 11.844 43.078 1.00 25.76 C ATOM 646 O GLY A 94 23.894 12.890 43.191 1.00 26.49 O ATOM 647 H GLY A 94 25.154 10.771 44.954 1.00 0.00 H ATOM 648 N THR A 95 22.598 11.499 41.961 1.00 23.11 N ATOM 649 CA THR A 95 22.484 12.339 40.777 1.00 23.46 C ATOM 650 C THR A 95 21.013 12.431 40.398 1.00 22.45 C ATOM 651 O THR A 95 20.293 11.429 40.451 1.00 23.97 O ATOM 652 CB THR A 95 23.291 11.759 39.594 1.00 26.14 C ATOM 653 OG1 THR A 95 24.675 11.631 39.956 1.00 25.01 O ATOM 654 CG2 THR A 95 23.186 12.649 38.376 1.00 29.38 C ATOM 655 HG1 THR A 95 24.757 11.024 40.734 1.00 0.00 H ATOM 656 H THR A 95 22.144 10.564 41.935 1.00 0.00 H ATOM 657 N TYR A 96 20.571 13.623 39.998 1.00 21.29 N ATOM 658 CA TYR A 96 19.174 13.864 39.664 1.00 21.65 C ATOM 659 C TYR A 96 19.047 14.155 38.178 1.00 22.71 C ATOM 660 O TYR A 96 19.835 14.921 37.620 1.00 28.92 O ATOM 661 CB TYR A 96 18.608 15.035 40.459 1.00 28.15 C ATOM 662 CG TYR A 96 18.612 14.769 41.939 1.00 31.72 C ATOM 663 CD1 TYR A 96 19.778 14.914 42.681 1.00 34.84 C ATOM 664 CD2 TYR A 96 17.465 14.337 42.586 1.00 39.82 C ATOM 665 CE1 TYR A 96 19.797 14.659 44.032 1.00 40.32 C ATOM 666 CE2 TYR A 96 17.475 14.080 43.946 1.00 43.79 C ATOM 667 CZ TYR A 96 18.650 14.239 44.656 1.00 43.95 C ATOM 668 OH TYR A 96 18.682 13.987 46.008 1.00 49.79 O ATOM 669 HH TYR A 96 19.596 14.151 46.352 1.00 0.00 H ATOM 670 H TYR A 96 21.248 14.409 39.922 1.00 0.00 H ATOM 671 N LEU A 97 18.042 13.559 37.551 1.00 25.12 N ATOM 672 CA LEU A 97 17.756 13.769 36.134 1.00 22.24 C ATOM 673 C LEU A 97 16.371 14.389 36.040 1.00 26.94 C ATOM 674 O LEU A 97 15.375 13.746 36.394 1.00 28.10 O ATOM 675 CB LEU A 97 17.818 12.453 35.364 1.00 24.53 C ATOM 676 CG LEU A 97 17.476 12.523 33.879 1.00 25.67 C ATOM 677 CD1 LEU A 97 18.453 13.442 33.151 1.00 26.41 C ATOM 678 CD2 LEU A 97 17.475 11.111 33.282 1.00 27.96 C ATOM 679 H LEU A 97 17.431 12.914 38.092 1.00 0.00 H ATOM 680 N ASN A 98 16.308 15.634 35.573 1.00 24.53 N ATOM 681 CA ASN A 98 15.051 16.380 35.525 1.00 27.25 C ATOM 682 C ASN A 98 14.347 16.342 36.875 1.00 29.21 C ATOM 683 O ASN A 98 13.123 16.199 36.968 1.00 29.17 O ATOM 684 CB ASN A 98 14.153 15.863 34.405 1.00 33.04 C ATOM 685 CG ASN A 98 14.810 16.012 33.058 1.00 31.29 C ATOM 686 OD1 ASN A 98 15.468 17.019 32.806 1.00 27.56 O ATOM 687 ND2 ASN A 98 14.662 15.010 32.194 1.00 25.84 N ATOM 688 HD22 ASN A 98 14.095 14.178 32.455 1.00 0.00 H ATOM 689 HD21 ASN A 98 15.114 15.059 31.259 1.00 0.00 H ATOM 690 H ASN A 98 17.179 16.090 35.232 1.00 0.00 H ATOM 691 N GLY A 99 15.144 16.460 37.933 1.00 30.13 N ATOM 692 CA GLY A 99 14.625 16.538 39.280 1.00 30.41 C ATOM 693 C GLY A 99 14.361 15.210 39.951 1.00 37.73 C ATOM 694 O GLY A 99 13.931 15.204 41.113 1.00 43.53 O ATOM 695 H GLY A 99 16.173 16.497 37.787 1.00 0.00 H ATOM 696 N LEU A 100 14.608 14.089 39.275 1.00 35.00 N ATOM 697 CA LEU A 100 14.303 12.766 39.810 1.00 38.92 C ATOM 698 C LEU A 100 15.599 12.040 40.142 1.00 30.83 C ATOM 699 O LEU A 100 16.523 12.022 39.332 1.00 27.98 O ATOM 700 CB LEU A 100 13.476 11.952 38.814 1.00 34.09 C ATOM 701 CG LEU A 100 12.089 12.520 38.487 1.00 45.80 C ATOM 702 CD1 LEU A 100 11.391 11.682 37.424 1.00 49.08 C ATOM 703 CD2 LEU A 100 11.237 12.626 39.744 1.00 50.19 C ATOM 704 H LEU A 100 15.035 14.159 38.329 1.00 0.00 H ATOM 705 N LEU A 101 15.656 11.435 41.326 1.00 31.96 N ATOM 706 CA LEU A 101 16.870 10.758 41.774 1.00 26.63 C ATOM 707 C LEU A 101 17.114 9.495 40.955 1.00 25.01 C ATOM 708 O LEU A 101 16.234 8.637 40.850 1.00 28.00 O ATOM 709 CB LEU A 101 16.742 10.409 43.260 1.00 32.63 C ATOM 710 CG LEU A 101 17.913 9.751 43.998 1.00 27.73 C ATOM 711 CD1 LEU A 101 19.154 10.627 43.951 1.00 29.70 C ATOM 712 CD2 LEU A 101 17.535 9.452 45.452 1.00 34.25 C ATOM 713 H LEU A 101 14.820 11.445 41.944 1.00 0.00 H ATOM 714 N LEU A 102 18.312 9.376 40.381 1.00 23.61 N ATOM 715 CA LEU A 102 18.685 8.180 39.639 1.00 24.88 C ATOM 716 C LEU A 102 18.996 7.014 40.572 1.00 29.01 C ATOM 717 O LEU A 102 19.499 7.192 41.685 1.00 28.70 O ATOM 718 CB LEU A 102 19.901 8.464 38.750 1.00 21.05 C ATOM 719 CG LEU A 102 19.687 9.525 37.671 1.00 22.07 C ATOM 720 CD1 LEU A 102 20.951 9.734 36.812 1.00 22.77 C ATOM 721 CD2 LEU A 102 18.499 9.138 36.802 1.00 23.62 C ATOM 722 H LEU A 102 18.995 10.155 40.465 1.00 0.00 H ATOM 723 N LYS A 103 18.681 5.806 40.111 1.00 28.28 N ATOM 724 CA LYS A 103 19.134 4.601 40.790 1.00 32.06 C ATOM 725 C LYS A 103 20.616 4.405 40.492 1.00 29.47 C ATOM 726 O LYS A 103 21.025 4.455 39.332 1.00 26.37 O ATOM 727 CB LYS A 103 18.329 3.390 40.321 1.00 34.06 C ATOM 728 CG LYS A 103 18.565 2.141 41.146 1.00 42.01 C ATOM 729 CD LYS A 103 17.578 1.053 40.767 1.00 49.82 C ATOM 730 CE LYS A 103 17.748 -0.181 41.632 1.00 62.60 C ATOM 731 NZ LYS A 103 16.821 -1.270 41.208 1.00 70.85 N ATOM 732 HZ1 LYS A 103 15.839 -0.939 41.291 1.00 0.00 H ATOM 733 HZ2 LYS A 103 17.019 -1.527 40.220 1.00 0.00 H ATOM 734 HZ3 LYS A 103 16.961 -2.100 41.818 1.00 0.00 H ATOM 735 H LYS A 103 18.102 5.722 39.251 1.00 0.00 H ATOM 736 N ARG A 104 21.425 4.203 41.534 1.00 27.40 N ATOM 737 CA ARG A 104 22.867 4.133 41.325 1.00 22.77 C ATOM 738 C ARG A 104 23.214 2.929 40.450 1.00 25.21 C ATOM 739 O ARG A 104 22.618 1.853 40.584 1.00 27.85 O ATOM 740 CB ARG A 104 23.594 4.054 42.678 1.00 28.91 C ATOM 741 CG ARG A 104 25.102 3.963 42.580 1.00 30.03 C ATOM 742 CD ARG A 104 25.761 4.053 43.965 1.00 45.18 C ATOM 743 NE ARG A 104 27.203 4.172 43.834 1.00 58.82 N ATOM 744 CZ ARG A 104 28.018 3.124 43.727 1.00 72.17 C ATOM 745 NH1 ARG A 104 27.520 1.890 43.749 1.00 82.29 N ATOM 746 NH2 ARG A 104 29.332 3.295 43.596 1.00 70.92 N ATOM 747 HE ARG A 104 27.620 5.125 43.823 1.00 0.00 H ATOM 748 HH12 ARG A 104 28.156 1.071 43.666 1.00 0.00 H ATOM 749 HH11 ARG A 104 26.495 1.745 43.850 1.00 0.00 H ATOM 750 HH22 ARG A 104 29.958 2.469 43.513 1.00 0.00 H ATOM 751 HH21 ARG A 104 29.732 4.255 43.576 1.00 0.00 H ATOM 752 H ARG A 104 21.029 4.096 42.490 1.00 0.00 H ATOM 753 N ASP A 105 24.162 3.131 39.531 1.00 28.57 N ATOM 754 CA ASP A 105 24.724 2.140 38.612 1.00 26.91 C ATOM 755 C ASP A 105 23.791 1.760 37.462 1.00 32.20 C ATOM 756 O ASP A 105 24.145 0.868 36.676 1.00 32.68 O ATOM 757 CB ASP A 105 25.153 0.844 39.323 1.00 28.92 C ATOM 758 CG ASP A 105 26.309 1.063 40.288 1.00 41.61 C ATOM 759 OD1 ASP A 105 27.186 1.897 39.981 1.00 42.54 O ATOM 760 OD2 ASP A 105 26.342 0.395 41.344 1.00 46.24 O ATOM 761 H ASP A 105 24.542 4.097 39.461 1.00 0.00 H ATOM 762 N LYS A 106 22.622 2.385 37.329 1.00 27.34 N ATOM 763 CA LYS A 106 21.688 2.050 36.261 1.00 22.54 C ATOM 764 C LYS A 106 21.827 3.044 35.115 1.00 25.97 C ATOM 765 O LYS A 106 22.022 4.244 35.333 1.00 25.25 O ATOM 766 CB LYS A 106 20.247 2.022 36.792 1.00 23.48 C ATOM 767 CG LYS A 106 19.166 1.799 35.726 1.00 25.95 C ATOM 768 CD LYS A 106 17.811 1.623 36.383 1.00 25.91 C ATOM 769 CE LYS A 106 16.695 1.403 35.354 1.00 28.32 C ATOM 770 NZ LYS A 106 15.478 0.894 36.024 1.00 37.69 N ATOM 771 HZ1 LYS A 106 15.694 -0.009 36.493 1.00 0.00 H ATOM 772 HZ2 LYS A 106 15.159 1.586 36.732 1.00 0.00 H ATOM 773 HZ3 LYS A 106 14.729 0.749 35.317 1.00 0.00 H ATOM 774 H LYS A 106 22.369 3.133 38.006 1.00 0.00 H ATOM 775 N THR A 107 21.756 2.532 33.890 1.00 24.52 N ATOM 776 CA THR A 107 21.893 3.369 32.707 1.00 24.88 C ATOM 777 C THR A 107 20.580 4.097 32.447 1.00 21.18 C ATOM 778 O THR A 107 19.514 3.481 32.497 1.00 23.52 O ATOM 779 CB THR A 107 22.273 2.501 31.504 1.00 32.19 C ATOM 780 OG1 THR A 107 23.558 1.909 31.736 1.00 30.10 O ATOM 781 CG2 THR A 107 22.324 3.316 30.222 1.00 25.66 C ATOM 782 HG1 THR A 107 23.520 1.349 32.551 1.00 0.00 H ATOM 783 H THR A 107 21.599 1.510 33.774 1.00 0.00 H ATOM 784 N TYR A 108 20.652 5.397 32.161 1.00 21.91 N ATOM 785 CA TYR A 108 19.468 6.174 31.789 1.00 24.19 C ATOM 786 C TYR A 108 19.653 6.820 30.422 1.00 20.80 C ATOM 787 O TYR A 108 20.685 7.452 30.158 1.00 18.30 O ATOM 788 CB TYR A 108 19.166 7.257 32.827 1.00 23.44 C ATOM 789 CG TYR A 108 18.613 6.709 34.121 1.00 23.90 C ATOM 790 CD1 TYR A 108 19.457 6.210 35.092 1.00 25.28 C ATOM 791 CD2 TYR A 108 17.242 6.693 34.368 1.00 25.95 C ATOM 792 CE1 TYR A 108 18.959 5.711 36.281 1.00 21.71 C ATOM 793 CE2 TYR A 108 16.730 6.192 35.558 1.00 30.74 C ATOM 794 CZ TYR A 108 17.603 5.708 36.515 1.00 28.34 C ATOM 795 OH TYR A 108 17.131 5.199 37.713 1.00 28.30 O ATOM 796 HH TYR A 108 16.535 4.430 37.531 1.00 0.00 H ATOM 797 H TYR A 108 21.576 5.873 32.203 1.00 0.00 H ATOM 798 N LEU A 109 18.656 6.646 29.559 1.00 21.17 N ATOM 799 CA LEU A 109 18.661 7.289 28.253 1.00 21.19 C ATOM 800 C LEU A 109 18.427 8.782 28.414 1.00 23.32 C ATOM 801 O LEU A 109 17.499 9.193 29.117 1.00 24.91 O ATOM 802 CB LEU A 109 17.570 6.683 27.371 1.00 23.75 C ATOM 803 CG LEU A 109 17.445 7.245 25.953 1.00 24.96 C ATOM 804 CD1 LEU A 109 18.676 6.895 25.121 1.00 26.50 C ATOM 805 CD2 LEU A 109 16.155 6.741 25.294 1.00 24.34 C ATOM 806 H LEU A 109 17.855 6.037 29.823 1.00 0.00 H ATOM 807 N LEU A 110 19.247 9.586 27.747 1.00 19.47 N ATOM 808 CA LEU A 110 19.138 11.040 27.753 1.00 18.82 C ATOM 809 C LEU A 110 18.371 11.557 26.539 1.00 24.92 C ATOM 810 O LEU A 110 18.372 10.946 25.461 1.00 21.10 O ATOM 811 CB LEU A 110 20.528 11.681 27.781 1.00 14.97 C ATOM 812 CG LEU A 110 21.352 11.464 29.058 1.00 20.04 C ATOM 813 CD1 LEU A 110 22.830 11.847 28.832 1.00 19.92 C ATOM 814 CD2 LEU A 110 20.753 12.263 30.208 1.00 23.97 C ATOM 815 H LEU A 110 20.010 9.154 27.188 1.00 0.00 H ATOM 816 N LYS A 111 17.721 12.709 26.729 1.00 22.98 N ATOM 817 CA LYS A 111 17.064 13.455 25.663 1.00 22.35 C ATOM 818 C LYS A 111 17.631 14.870 25.631 1.00 24.61 C ATOM 819 O LYS A 111 18.106 15.390 26.645 1.00 22.08 O ATOM 820 CB LYS A 111 15.536 13.520 25.873 1.00 29.56 C ATOM 821 CG LYS A 111 14.858 12.181 26.149 1.00 44.07 C ATOM 822 CD LYS A 111 14.881 11.264 24.931 1.00 58.60 C ATOM 823 CE LYS A 111 13.754 10.229 24.980 1.00 66.16 C ATOM 824 NZ LYS A 111 13.767 9.412 26.225 1.00 71.01 N ATOM 825 HZ1 LYS A 111 14.670 8.900 26.293 1.00 0.00 H ATOM 826 HZ2 LYS A 111 13.659 10.037 27.049 1.00 0.00 H ATOM 827 HZ3 LYS A 111 12.982 8.731 26.199 1.00 0.00 H ATOM 828 H LYS A 111 17.682 13.096 27.694 1.00 0.00 H ATOM 829 N HIS A 112 17.577 15.493 24.457 1.00 22.92 N ATOM 830 CA HIS A 112 18.044 16.868 24.306 1.00 22.16 C ATOM 831 C HIS A 112 17.424 17.776 25.360 1.00 21.80 C ATOM 832 O HIS A 112 16.211 17.754 25.572 1.00 22.44 O ATOM 833 CB HIS A 112 17.693 17.373 22.904 1.00 22.92 C ATOM 834 CG HIS A 112 18.151 18.771 22.625 1.00 23.62 C ATOM 835 ND1 HIS A 112 19.476 19.154 22.707 1.00 24.55 N ATOM 836 CD2 HIS A 112 17.460 19.879 22.267 1.00 25.05 C ATOM 837 CE1 HIS A 112 19.578 20.436 22.406 1.00 25.45 C ATOM 838 NE2 HIS A 112 18.367 20.903 22.145 1.00 24.87 N ATOM 839 H HIS A 112 17.195 14.991 23.630 1.00 0.00 H ATOM 840 N CYS A 113 18.280 18.557 26.032 1.00 20.30 N ATOM 841 CA CYS A 113 17.966 19.551 27.067 1.00 22.78 C ATOM 842 C CYS A 113 17.650 18.921 28.419 1.00 28.78 C ATOM 843 O CYS A 113 17.177 19.636 29.317 1.00 27.69 O ATOM 844 CB CYS A 113 16.817 20.494 26.688 1.00 26.15 C ATOM 845 SG CYS A 113 17.267 21.850 25.558 1.00 27.27 S ATOM 846 H CYS A 113 19.286 18.447 25.793 1.00 0.00 H ATOM 847 N ASP A 114 17.893 17.624 28.602 1.00 22.96 N ATOM 848 CA ASP A 114 17.791 17.045 29.933 1.00 22.73 C ATOM 849 C ASP A 114 18.709 17.781 30.897 1.00 22.86 C ATOM 850 O ASP A 114 19.799 18.234 30.532 1.00 25.15 O ATOM 851 CB ASP A 114 18.182 15.568 29.926 1.00 23.88 C ATOM 852 CG ASP A 114 17.037 14.650 29.537 1.00 29.23 C ATOM 853 OD1 ASP A 114 15.880 15.112 29.414 1.00 26.73 O ATOM 854 OD2 ASP A 114 17.308 13.440 29.377 1.00 25.68 O ATOM 855 H ASP A 114 18.156 17.025 27.793 1.00 0.00 H ATOM 856 N VAL A 115 18.279 17.860 32.152 1.00 24.79 N ATOM 857 CA VAL A 115 19.014 18.555 33.197 1.00 23.80 C ATOM 858 C VAL A 115 19.532 17.530 34.192 1.00 27.11 C ATOM 859 O VAL A 115 18.760 16.722 34.724 1.00 25.50 O ATOM 860 CB VAL A 115 18.135 19.601 33.899 1.00 26.66 C ATOM 861 CG1 VAL A 115 18.939 20.286 34.978 1.00 31.67 C ATOM 862 CG2 VAL A 115 17.607 20.593 32.881 1.00 33.11 C ATOM 863 H VAL A 115 17.377 17.405 32.398 1.00 0.00 H ATOM 864 N ILE A 116 20.834 17.562 34.439 1.00 21.28 N ATOM 865 CA ILE A 116 21.486 16.661 35.384 1.00 22.00 C ATOM 866 C ILE A 116 22.006 17.510 36.532 1.00 28.30 C ATOM 867 O ILE A 116 22.798 18.433 36.320 1.00 30.22 O ATOM 868 CB ILE A 116 22.623 15.863 34.728 1.00 24.76 C ATOM 869 CG1 ILE A 116 22.089 15.003 33.581 1.00 21.87 C ATOM 870 CG2 ILE A 116 23.305 14.984 35.754 1.00 25.94 C ATOM 871 CD1 ILE A 116 22.230 15.657 32.226 1.00 27.00 C ATOM 872 H ILE A 116 21.417 18.261 33.936 1.00 0.00 H ATOM 873 N GLU A 117 21.554 17.209 37.743 1.00 24.25 N ATOM 874 CA GLU A 117 21.931 17.964 38.928 1.00 26.84 C ATOM 875 C GLU A 117 22.649 17.016 39.872 1.00 32.44 C ATOM 876 O GLU A 117 22.201 15.886 40.081 1.00 29.61 O ATOM 877 CB GLU A 117 20.706 18.608 39.588 1.00 32.52 C ATOM 878 CG GLU A 117 20.108 19.757 38.759 1.00 43.03 C ATOM 879 CD GLU A 117 18.726 20.199 39.229 1.00 49.81 C ATOM 880 OE1 GLU A 117 18.528 21.417 39.440 1.00 48.98 O ATOM 881 OE2 GLU A 117 17.840 19.332 39.380 1.00 50.73 O ATOM 882 H GLU A 117 20.906 16.403 37.849 1.00 0.00 H ATOM 883 N LEU A 118 23.779 17.462 40.401 1.00 32.97 N ATOM 884 CA LEU A 118 24.627 16.635 41.245 1.00 39.97 C ATOM 885 C LEU A 118 24.485 17.080 42.692 1.00 40.88 C ATOM 886 O LEU A 118 24.483 18.278 42.986 1.00 44.61 O ATOM 887 CB LEU A 118 26.092 16.718 40.806 1.00 43.68 C ATOM 888 CG LEU A 118 26.584 15.804 39.673 1.00 46.56 C ATOM 889 CD1 LEU A 118 25.712 15.893 38.445 1.00 38.43 C ATOM 890 CD2 LEU A 118 28.034 16.098 39.314 1.00 45.07 C ATOM 891 H LEU A 118 24.071 18.441 40.205 1.00 0.00 H ATOM 892 N SER A 119 24.339 16.114 43.588 1.00 44.62 N ATOM 893 CA SER A 119 24.187 16.434 44.999 1.00 54.87 C ATOM 894 C SER A 119 25.511 16.259 45.729 1.00 56.63 C ATOM 895 O SER A 119 26.221 17.231 45.968 1.00 63.26 O ATOM 896 CB SER A 119 23.107 15.563 45.635 1.00 69.33 C ATOM 897 OG SER A 119 23.493 14.204 45.617 1.00 77.29 O ATOM 898 HG SER A 119 23.631 13.914 44.681 1.00 0.00 H ATOM 899 H SER A 119 24.333 15.121 43.280 1.00 0.00 H TER 900 SER A 119 ATOM 901 N THR A 130 24.755 22.385 41.462 1.00 53.37 N ATOM 902 CA THR A 130 25.400 22.197 40.165 1.00 53.35 C ATOM 903 C THR A 130 24.419 21.655 39.124 1.00 46.51 C ATOM 904 O THR A 130 23.799 20.612 39.337 1.00 47.29 O ATOM 905 CB THR A 130 26.596 21.236 40.265 1.00 57.69 C ATOM 906 OG1 THR A 130 27.503 21.697 41.277 1.00 61.82 O ATOM 907 CG2 THR A 130 27.321 21.161 38.930 1.00 54.77 C ATOM 908 HG1 THR A 130 28.271 21.076 41.338 1.00 0.00 H ATOM 909 HN3 THR A 130 24.386 21.473 41.800 1.00 0.00 H ATOM 910 HN2 THR A 130 23.972 23.062 41.363 1.00 0.00 H ATOM 911 HN1 THR A 130 25.449 22.753 42.143 1.00 0.00 H ATOM 912 N ARG A 131 24.303 22.356 37.993 1.00 44.66 N ATOM 913 CA ARG A 131 23.325 22.047 36.954 1.00 38.97 C ATOM 914 C ARG A 131 24.047 21.824 35.630 1.00 30.96 C ATOM 915 O ARG A 131 24.733 22.724 35.131 1.00 36.65 O ATOM 916 CB ARG A 131 22.293 23.178 36.835 1.00 41.19 C ATOM 917 CG ARG A 131 21.109 22.918 35.907 1.00 46.21 C ATOM 918 CD ARG A 131 19.991 23.976 36.084 1.00 51.16 C ATOM 919 NE ARG A 131 18.929 23.543 37.000 1.00 59.41 N ATOM 920 CZ ARG A 131 17.785 24.200 37.201 1.00 64.40 C ATOM 921 NH1 ARG A 131 16.880 23.726 38.051 1.00 64.79 N ATOM 922 NH2 ARG A 131 17.541 25.333 36.554 1.00 65.93 N ATOM 923 HE ARG A 131 19.079 22.661 37.530 1.00 0.00 H ATOM 924 HH12 ARG A 131 15.990 24.242 38.204 1.00 0.00 H ATOM 925 HH11 ARG A 131 17.062 22.839 38.563 1.00 0.00 H ATOM 926 HH22 ARG A 131 16.648 25.841 36.714 1.00 0.00 H ATOM 927 HH21 ARG A 131 18.243 25.712 35.887 1.00 0.00 H ATOM 928 H ARG A 131 24.942 23.163 37.845 1.00 0.00 H ATOM 929 N LEU A 132 23.907 20.626 35.079 1.00 25.09 N ATOM 930 CA LEU A 132 24.425 20.292 33.757 1.00 22.66 C ATOM 931 C LEU A 132 23.240 20.155 32.811 1.00 27.59 C ATOM 932 O LEU A 132 22.255 19.487 33.143 1.00 33.07 O ATOM 933 CB LEU A 132 25.224 18.990 33.787 1.00 21.77 C ATOM 934 CG LEU A 132 26.278 18.837 34.886 1.00 30.90 C ATOM 935 CD1 LEU A 132 26.843 17.439 34.870 1.00 35.44 C ATOM 936 CD2 LEU A 132 27.373 19.847 34.682 1.00 30.38 C ATOM 937 H LEU A 132 23.404 19.890 35.615 1.00 0.00 H ATOM 938 N VAL A 133 23.315 20.799 31.652 1.00 22.53 N ATOM 939 CA VAL A 133 22.266 20.672 30.649 1.00 22.23 C ATOM 940 C VAL A 133 22.863 19.935 29.466 1.00 24.46 C ATOM 941 O VAL A 133 23.881 20.363 28.904 1.00 26.49 O ATOM 942 CB VAL A 133 21.686 22.025 30.224 1.00 25.96 C ATOM 943 CG1 VAL A 133 20.533 21.797 29.243 1.00 27.71 C ATOM 944 CG2 VAL A 133 21.200 22.799 31.437 1.00 30.94 C ATOM 945 H VAL A 133 24.137 21.405 31.457 1.00 0.00 H ATOM 946 N PHE A 134 22.248 18.816 29.121 1.00 20.74 N ATOM 947 CA PHE A 134 22.722 17.950 28.055 1.00 16.25 C ATOM 948 C PHE A 134 22.130 18.449 26.749 1.00 24.83 C ATOM 949 O PHE A 134 20.911 18.582 26.643 1.00 23.33 O ATOM 950 CB PHE A 134 22.297 16.512 28.329 1.00 17.82 C ATOM 951 CG PHE A 134 22.469 15.607 27.173 1.00 20.82 C ATOM 952 CD1 PHE A 134 23.722 15.148 26.817 1.00 25.65 C ATOM 953 CD2 PHE A 134 21.371 15.226 26.420 1.00 28.96 C ATOM 954 CE1 PHE A 134 23.876 14.311 25.737 1.00 24.82 C ATOM 955 CE2 PHE A 134 21.519 14.393 25.347 1.00 31.14 C ATOM 956 CZ PHE A 134 22.772 13.943 24.998 1.00 27.76 C ATOM 957 H PHE A 134 21.386 18.544 29.636 1.00 0.00 H ATOM 958 N MET A 135 22.983 18.737 25.767 1.00 18.27 N ATOM 959 CA MET A 135 22.535 19.262 24.482 1.00 20.25 C ATOM 960 C MET A 135 23.023 18.350 23.373 1.00 24.96 C ATOM 961 O MET A 135 24.217 18.032 23.311 1.00 22.68 O ATOM 962 CB MET A 135 23.076 20.664 24.229 1.00 27.36 C ATOM 963 CG MET A 135 22.889 21.634 25.354 1.00 34.46 C ATOM 964 SD MET A 135 21.165 22.069 25.484 1.00 37.13 S ATOM 965 CE MET A 135 21.294 23.671 26.302 1.00 28.04 C ATOM 966 H MET A 135 24.000 18.583 25.921 1.00 0.00 H ATOM 967 N ILE A 136 22.110 17.961 22.497 1.00 22.47 N ATOM 968 CA ILE A 136 22.431 17.176 21.317 1.00 25.71 C ATOM 969 C ILE A 136 22.652 18.121 20.150 1.00 26.05 C ATOM 970 O ILE A 136 21.811 18.984 19.863 1.00 24.64 O ATOM 971 CB ILE A 136 21.307 16.178 21.006 1.00 24.15 C ATOM 972 CG1 ILE A 136 21.234 15.128 22.106 1.00 28.83 C ATOM 973 CG2 ILE A 136 21.545 15.517 19.666 1.00 28.88 C ATOM 974 CD1 ILE A 136 20.100 14.143 21.956 1.00 29.26 C ATOM 975 H ILE A 136 21.119 18.229 22.661 1.00 0.00 H ATOM 976 N ASN A 137 23.789 17.966 19.479 1.00 26.25 N ATOM 977 CA ASN A 137 24.052 18.613 18.208 1.00 39.97 C ATOM 978 C ASN A 137 23.780 17.675 17.042 1.00 54.02 C ATOM 979 O ASN A 137 23.227 18.101 16.027 1.00 53.14 O ATOM 980 CB ASN A 137 25.500 19.114 18.182 1.00 42.30 C ATOM 981 CG ASN A 137 25.846 19.929 19.420 1.00 42.56 C ATOM 982 OD1 ASN A 137 25.183 20.919 19.724 1.00 45.55 O ATOM 983 ND2 ASN A 137 26.865 19.498 20.153 1.00 33.03 N ATOM 984 HD22 ASN A 137 27.398 18.655 19.858 1.00 0.00 H ATOM 985 HD21 ASN A 137 27.130 20.003 21.023 1.00 0.00 H ATOM 986 H ASN A 137 24.524 17.352 19.884 1.00 0.00 H ATOM 987 N ASP A 138 24.115 16.393 17.208 1.00 61.66 N ATOM 988 CA ASP A 138 23.826 15.317 16.255 1.00 63.14 C ATOM 989 C ASP A 138 22.364 14.857 16.280 1.00 54.49 C ATOM 990 O ASP A 138 22.070 13.718 16.684 1.00 37.10 O ATOM 991 CB ASP A 138 24.721 14.107 16.545 1.00 64.60 C ATOM 992 CG ASP A 138 26.015 14.122 15.749 1.00 71.47 C ATOM 993 OD1 ASP A 138 26.457 15.215 15.329 1.00 77.64 O ATOM 994 OD2 ASP A 138 26.591 13.031 15.547 1.00 63.68 O ATOM 995 H ASP A 138 24.620 16.138 18.081 1.00 0.00 H TER 996 ASP A 138 HETATM 997 O HOH 1 32.193 7.048 42.434 1.00 40.08 O HETATM 998 O HOH 2 36.917 20.208 47.104 1.00 65.52 O HETATM 999 O HOH 3 21.765 2.741 22.051 1.00 37.16 O HETATM 1000 O HOH 4 36.335 10.798 28.539 1.00 43.10 O HETATM 1001 O HOH 5 18.571 3.263 24.177 1.00 40.94 O HETATM 1002 O HOH 6 30.945 7.821 24.195 1.00 27.82 O HETATM 1003 O HOH 7 19.236 23.109 21.104 1.00 42.63 O HETATM 1004 O HOH 8 15.809 11.327 29.555 1.00 32.61 O HETATM 1005 O HOH 9 24.012 7.320 44.355 1.00 27.05 O HETATM 1006 O HOH 10 17.713 17.353 37.675 1.00 32.75 O HETATM 1007 O HOH 11 40.115 16.820 33.111 1.00 37.08 O HETATM 1008 O HOH 12 22.271 5.849 37.407 1.00 22.50 O HETATM 1009 O HOH 13 14.754 4.069 37.869 1.00 45.36 O HETATM 1010 O HOH 14 41.606 16.908 35.105 1.00 40.56 O HETATM 1011 O HOH 15 26.009 28.693 30.693 1.00 65.10 O HETATM 1012 O HOH 16 14.290 11.769 34.944 1.00 45.60 O HETATM 1013 O HOH 17 15.732 19.644 41.014 1.00 52.79 O HETATM 1014 O HOH 18 21.716 8.668 42.086 1.00 30.45 O HETATM 1015 O HOH 19 34.894 15.154 26.740 1.00 42.80 O HETATM 1016 O HOH 20 25.106 5.967 47.765 1.00 54.21 O HETATM 1017 O HOH 21 37.031 8.905 21.256 1.00 33.01 O HETATM 1018 O HOH 22 38.199 7.769 41.340 1.00 43.54 O HETATM 1019 O HOH 23 21.809 0.444 42.765 1.00 45.27 O HETATM 1020 O HOH 24 12.983 14.415 43.547 1.00 61.57 O HETATM 1021 O HOH 25 14.657 17.058 27.705 1.00 30.66 O HETATM 1022 O HOH 26 24.328 0.141 34.045 1.00 47.73 O HETATM 1023 O HOH 27 14.085 17.862 23.805 1.00 34.97 O HETATM 1024 O HOH 28 19.756 9.906 23.303 1.00 26.18 O HETATM 1025 O HOH 29 38.756 18.820 42.791 1.00 44.77 O HETATM 1026 O HOH 30 28.470 12.083 46.149 1.00 24.11 O HETATM 1027 O HOH 31 20.532 3.962 44.161 1.00 38.44 O HETATM 1028 O HOH 32 37.248 4.054 32.939 1.00 48.52 O HETATM 1029 O HOH 33 32.999 8.671 12.971 1.00 45.17 O HETATM 1030 O HOH 34 13.578 12.447 32.556 1.00 48.52 O HETATM 1031 O HOH 35 29.015 15.881 14.374 1.00 68.67 O HETATM 1032 O HOH 36 10.851 15.465 35.485 1.00 51.39 O HETATM 1033 O HOH 37 15.708 7.624 30.611 1.00 36.40 O HETATM 1034 O HOH 38 30.496 5.420 21.077 1.00 29.81 O HETATM 1035 O HOH 39 16.403 14.149 22.253 1.00 28.76 O HETATM 1036 O HOH 40 13.632 11.813 43.278 1.00 42.89 O HETATM 1037 O HOH 41 25.769 1.494 26.215 1.00 32.69 O HETATM 1038 O HOH 42 13.350 8.165 28.758 1.00 48.66 O HETATM 1039 O HOH 43 38.838 17.162 47.513 1.00 39.69 O HETATM 1040 O HOH 44 36.942 7.069 28.007 1.00 35.19 O HETATM 1041 O HOH 45 20.700 11.936 18.791 1.00 35.12 O HETATM 1042 O HOH 46 22.481 4.092 19.119 1.00 50.82 O HETATM 1043 O HOH 47 37.551 8.751 30.654 1.00 34.12 O HETATM 1044 O HOH 48 22.255 21.808 20.484 1.00 49.20 O HETATM 1045 O HOH 49 36.960 20.592 34.543 1.00 37.04 O HETATM 1046 O HOH 50 24.641 30.299 38.441 1.00 61.81 O HETATM 1047 O HOH 51 19.870 6.152 44.408 1.00 50.34 O HETATM 1048 O HOH 52 29.357 3.728 19.379 1.00 33.78 O HETATM 1049 O HOH 53 31.320 22.066 42.761 1.00 49.74 O HETATM 1050 O HOH 54 18.822 9.623 20.684 1.00 61.66 O HETATM 1051 O HOH 55 26.156 0.482 31.447 1.00 71.96 O HETATM 1052 O HOH 56 34.046 7.788 43.234 1.00 38.46 O HETATM 1053 O HOH 57 21.358 -0.389 33.332 1.00 28.97 O HETATM 1054 O HOH 58 15.586 6.525 42.904 1.00 56.63 O HETATM 1055 O HOH 59 41.238 16.423 42.789 1.00 46.65 O HETATM 1056 O HOH 60 27.071 -0.197 18.598 1.00 69.80 O HETATM 1057 O HOH 61 16.296 5.066 30.645 1.00 28.31 O HETATM 1058 O HOH 62 13.320 13.534 28.835 1.00 50.50 O HETATM 1059 O HOH 63 21.812 -0.747 39.168 1.00 49.34 O HETATM 1060 O HOH 64 33.277 23.384 41.081 1.00 50.12 O HETATM 1061 O HOH 65 23.644 0.024 29.250 1.00 45.02 O HETATM 1062 O HOH 66 12.949 10.791 28.905 1.00 68.05 O HETATM 1063 O HOH 67 16.162 -1.582 37.804 1.00 49.26 O HETATM 1064 O HOH 68 38.212 18.292 29.482 1.00 55.06 O HETATM 1065 O HOH 69 39.280 19.368 32.490 1.00 61.57 O HETATM 1066 O HOH 70 11.042 16.799 40.746 1.00 65.97 O HETATM 1067 O HOH 71 30.596 4.073 14.155 1.00 63.80 O HETATM 1068 O HOH 72 31.278 4.769 24.161 1.00 38.09 O HETATM 1069 O HOH 73 25.051 20.198 47.463 1.00 63.83 O HETATM 1070 O HOH 74 14.240 8.426 37.891 1.00 66.49 O HETATM 1071 O HOH 75 23.282 26.252 31.337 1.00 55.83 O HETATM 1072 O HOH 76 17.025 18.479 42.930 1.00 60.30 O HETATM 1073 O HOH 77 29.148 1.865 30.272 1.00 59.69 O HETATM 1074 O HOH 78 16.928 10.351 21.956 1.00 65.15 O HETATM 1075 O HOH 79 21.581 0.118 22.619 1.00 44.33 O HETATM 1076 O HOH 80 17.286 5.518 44.367 1.00 54.60 O HETATM 1077 O HOH 81 36.866 4.844 27.517 1.00 50.11 O HETATM 1078 O HOH 82 23.206 1.379 26.617 1.00 42.22 O HETATM 1079 O HOH 83 21.911 7.665 46.029 1.00 46.74 O HETATM 1080 O HOH 84 36.421 6.308 41.597 1.00 58.30 O HETATM 1081 O HOH 85 22.861 23.971 20.987 1.00 76.02 O HETATM 1082 O HOH 86 38.628 22.866 38.659 1.00 68.55 O HETATM 1083 O HOH 87 32.963 3.620 25.888 1.00 65.41 O HETATM 1084 O HOH 88 33.818 23.948 33.502 1.00 66.25 O HETATM 1085 O HOH 89 13.823 15.042 22.511 1.00 46.60 O HETATM 1086 O HOH 90 21.159 17.391 47.406 1.00 54.90 O HETATM 1087 O HOH 91 33.615 4.752 36.121 1.00 59.81 O HETATM 1088 O HOH 92 33.331 31.591 33.492 1.00 75.13 O HETATM 1089 O HOH 93 19.939 -1.420 37.636 1.00 51.13 O HETATM 1090 O HOH 94 35.250 19.823 12.394 1.00 54.71 O HETATM 1091 O HOH 95 37.827 24.439 32.429 1.00 62.88 O HETATM 1092 O HOH 96 19.456 -2.056 34.777 1.00 56.52 O HETATM 1093 O HOH 97 38.015 24.437 34.820 1.00 63.88 O HETATM 1094 O HOH 98 24.363 -1.086 22.272 1.00 41.63 O HETATM 1095 O HOH 99 42.322 21.838 31.239 1.00 66.75 O HETATM 1096 O HOH 100 45.319 20.966 32.688 1.00 66.32 O HETATM 1097 O HOH 101 35.075 7.546 45.611 1.00 54.79 O HETATM 1098 O HOH 102 35.279 15.792 50.048 1.00 41.45 O HETATM 1099 O HOH 103 36.893 10.576 47.306 1.00 44.75 O HETATM 1100 O HOH 104 32.979 9.242 51.664 1.00 44.34 O HETATM 1101 O HOH 105 31.827 6.904 48.680 1.00 51.89 O HETATM 1102 O HOH 106 31.634 7.301 45.059 1.00 48.31 O HETATM 1103 O HOH 107 35.029 14.985 55.298 1.00 67.60 O HETATM 1104 N ILE A 108 42.989 12.831 47.163 1.00 0.24 N HETATM 1105 CA ILE A 108 41.558 13.078 46.995 1.00 0.07 C HETATM 1106 C ILE A 108 40.844 12.836 48.324 1.00 0.23 C HETATM 1107 O ILE A 108 40.999 11.786 48.951 1.00 -0.39 O HETATM 1108 N ILE A 108 40.077 13.824 48.766 1.00 -0.26 N HETATM 1109 CA ILE A 108 39.478 13.707 50.088 1.00 0.13 C HETATM 1110 C ILE A 108 38.230 12.838 50.041 1.00 0.21 C HETATM 1111 O ILE A 108 37.557 12.761 49.009 1.00 -0.39 O HETATM 1112 N ILE A 108 37.889 12.177 51.156 1.00 -0.25 N HETATM 1113 CA ILE A 108 36.635 11.418 51.182 1.00 0.13 C HETATM 1114 C ILE A 108 35.438 12.322 50.920 1.00 0.20 C HETATM 1115 O ILE A 108 35.433 13.459 51.397 1.00 -0.39 O HETATM 1116 N ILE A 108 34.469 11.834 50.147 1.00 -0.26 N HETATM 1117 CA ILE A 108 33.252 12.579 49.847 1.00 0.16 C HETATM 1118 CB ILE A 108 32.401 11.796 48.862 1.00 0.13 C HETATM 1119 CG2 ILE A 108 31.217 12.634 48.369 1.00 -0.03 C HETATM 1120 H32 ILE A 108 30.620 12.043 47.659 1.00 0.03 H HETATM 1121 H33 ILE A 108 31.591 13.539 47.869 1.00 0.03 H HETATM 1122 H34 ILE A 108 30.589 12.921 49.225 1.00 0.03 H HETATM 1123 OG1 ILE A 108 33.212 11.515 47.731 1.00 -0.27 O HETATM 1124 P ILE A 108 33.398 9.928 47.506 1.00 0.20 P HETATM 1125 O1P ILE A 108 32.100 9.266 47.166 1.00 -0.55 O HETATM 1126 O2P ILE A 108 34.472 9.776 46.316 1.00 -0.55 O HETATM 1127 O3P ILE A 108 34.013 9.233 48.811 1.00 -0.55 O HETATM 1128 H31 ILE A 108 32.041 10.867 49.328 1.00 0.07 H HETATM 1129 C ILE A 108 32.476 12.816 51.124 1.00 0.21 C HETATM 1130 O ILE A 108 32.363 11.912 51.950 1.00 -0.39 O HETATM 1131 N ILE A 108 31.960 14.028 51.298 1.00 -0.26 N HETATM 1132 CA ILE A 108 31.199 14.356 52.503 1.00 0.13 C HETATM 1133 C ILE A 108 29.717 14.111 52.276 1.00 0.20 C HETATM 1134 O ILE A 108 29.257 14.131 51.139 1.00 -0.39 O HETATM 1135 N ILE A 108 28.979 13.898 53.362 1.00 -0.26 N HETATM 1136 CA ILE A 108 27.535 13.737 53.274 1.00 0.14 C HETATM 1137 C ILE A 108 26.851 15.081 53.062 1.00 0.21 C HETATM 1138 O ILE A 108 27.379 16.143 53.404 1.00 -0.39 O HETATM 1139 N ILE A 108 25.649 15.017 52.497 1.00 -0.27 N HETATM 1140 CA ILE A 108 24.838 16.200 52.267 1.00 0.10 C HETATM 1141 C ILE A 108 23.968 16.483 53.484 1.00 0.06 C HETATM 1142 O ILE A 108 24.387 17.176 54.412 1.00 -0.57 O HETATM 1143 OXT ILE A 108 22.828 16.025 53.565 1.00 -0.57 O HETATM 1144 CB ILE A 108 23.977 16.036 51.004 1.00 -0.01 C HETATM 1145 CG1 ILE A 108 24.787 16.361 49.760 1.00 -0.06 C HETATM 1146 H55 ILE A 108 24.155 16.238 48.868 1.00 0.02 H HETATM 1147 H56 ILE A 108 25.649 15.680 49.695 1.00 0.02 H HETATM 1148 H57 ILE A 108 25.144 17.400 49.816 1.00 0.02 H HETATM 1149 CG2 ILE A 108 23.430 14.617 50.919 1.00 -0.06 C HETATM 1150 H58 ILE A 108 22.846 14.394 51.824 1.00 0.02 H HETATM 1151 H59 ILE A 108 24.265 13.906 50.837 1.00 0.02 H HETATM 1152 H60 ILE A 108 22.783 14.526 50.034 1.00 0.02 H HETATM 1153 H54 ILE A 108 23.131 16.736 51.064 1.00 0.03 H HETATM 1154 H53 ILE A 108 25.511 17.057 52.115 1.00 0.07 H HETATM 1155 H52 ILE A 108 25.291 14.125 52.221 1.00 0.19 H HETATM 1156 CB ILE A 108 26.978 13.084 54.538 1.00 0.02 C HETATM 1157 CG ILE A 108 27.571 11.744 54.834 1.00 -0.04 C HETATM 1158 CD1 ILE A 108 27.337 10.667 53.989 1.00 -0.06 C HETATM 1159 CE1 ILE A 108 27.887 9.426 54.257 1.00 -0.07 C HETATM 1160 CZ ILE A 108 28.674 9.252 55.377 1.00 -0.07 C HETATM 1161 CE2 ILE A 108 28.911 10.319 56.232 1.00 -0.07 C HETATM 1162 CD2 ILE A 108 28.360 11.555 55.957 1.00 -0.06 C HETATM 1163 H48 ILE A 108 28.547 12.386 56.627 1.00 0.06 H HETATM 1164 H50 ILE A 108 29.527 10.183 57.113 1.00 0.06 H HETATM 1165 H51 ILE A 108 29.107 8.281 55.589 1.00 0.06 H HETATM 1166 H49 ILE A 108 27.700 8.593 53.589 1.00 0.06 H HETATM 1167 H47 ILE A 108 26.717 10.800 53.110 1.00 0.06 H HETATM 1168 H45 ILE A 108 25.891 12.964 54.417 1.00 0.05 H HETATM 1169 H46 ILE A 108 27.180 13.749 55.390 1.00 0.05 H HETATM 1170 H44 ILE A 108 27.311 13.088 52.415 1.00 0.08 H HETATM 1171 H43 ILE A 108 29.425 13.848 54.256 1.00 0.19 H HETATM 1172 CB ILE A 108 31.419 15.808 52.907 1.00 0.00 C HETATM 1173 CG ILE A 108 32.857 16.154 53.240 1.00 0.04 C HETATM 1174 CD ILE A 108 32.998 17.536 53.849 1.00 0.17 C HETATM 1175 OE1 ILE A 108 34.057 17.893 54.361 1.00 -0.40 O HETATM 1176 NE2 ILE A 108 31.927 18.321 53.798 1.00 -0.30 N HETATM 1177 H41 ILE A 108 31.964 19.243 54.184 1.00 0.18 H HETATM 1178 H42 ILE A 108 31.084 17.990 53.373 1.00 0.18 H HETATM 1179 H39 ILE A 108 33.452 16.114 52.316 1.00 0.05 H HETATM 1180 H40 ILE A 108 33.241 15.413 53.956 1.00 0.05 H HETATM 1181 H37 ILE A 108 30.801 16.016 53.793 1.00 0.03 H HETATM 1182 H38 ILE A 108 31.095 16.450 52.075 1.00 0.03 H HETATM 1183 H36 ILE A 108 31.544 13.707 53.321 1.00 0.08 H HETATM 1184 H35 ILE A 108 32.094 14.726 50.595 1.00 0.19 H HETATM 1185 H30 ILE A 108 33.521 13.548 49.402 1.00 0.08 H HETATM 1186 H29 ILE A 108 34.581 10.920 49.757 1.00 0.19 H HETATM 1187 CB ILE A 108 36.579 10.841 52.601 1.00 -0.01 C HETATM 1188 CG ILE A 108 37.891 11.130 53.228 1.00 -0.03 C HETATM 1189 CD ILE A 108 38.593 12.175 52.451 1.00 0.04 C HETATM 1190 H27 ILE A 108 38.509 13.154 52.945 1.00 0.05 H HETATM 1191 H28 ILE A 108 39.655 11.920 52.320 1.00 0.05 H HETATM 1192 H25 ILE A 108 38.500 10.214 53.242 1.00 0.03 H HETATM 1193 H26 ILE A 108 37.735 11.483 54.258 1.00 0.03 H HETATM 1194 H23 ILE A 108 36.408 9.755 52.563 1.00 0.03 H HETATM 1195 H24 ILE A 108 35.771 11.320 53.174 1.00 0.03 H HETATM 1196 H22 ILE A 108 36.654 10.612 50.434 1.00 0.08 H HETATM 1197 CB ILE A 108 39.107 15.078 50.638 1.00 0.00 C HETATM 1198 CG ILE A 108 40.293 15.950 50.941 1.00 0.04 C HETATM 1199 CD ILE A 108 41.030 15.516 52.213 1.00 0.17 C HETATM 1200 OE1 ILE A 108 40.750 14.463 52.779 1.00 -0.40 O HETATM 1201 NE2 ILE A 108 41.990 16.320 52.645 1.00 -0.30 N HETATM 1202 H20 ILE A 108 42.504 16.087 53.470 1.00 0.18 H HETATM 1203 H21 ILE A 108 42.201 17.160 52.146 1.00 0.18 H HETATM 1204 H18 ILE A 108 39.946 16.986 51.070 1.00 0.05 H HETATM 1205 H19 ILE A 108 40.993 15.901 50.094 1.00 0.05 H HETATM 1206 H16 ILE A 108 38.534 14.936 51.566 1.00 0.03 H HETATM 1207 H17 ILE A 108 38.479 15.592 49.895 1.00 0.03 H HETATM 1208 H15 ILE A 108 40.211 13.240 50.763 1.00 0.08 H HETATM 1209 H14 ILE A 108 39.913 14.633 48.202 1.00 0.19 H HETATM 1210 CB ILE A 108 40.959 12.209 45.853 1.00 0.02 C HETATM 1211 CG1 ILE A 108 39.491 12.565 45.608 1.00 -0.05 C HETATM 1212 CD1 ILE A 108 39.284 13.965 45.081 1.00 -0.06 C HETATM 1213 H11 ILE A 108 38.209 14.145 44.931 1.00 0.02 H HETATM 1214 H12 ILE A 108 39.812 14.078 44.123 1.00 0.02 H HETATM 1215 H13 ILE A 108 39.680 14.692 45.806 1.00 0.02 H HETATM 1216 H6 ILE A 108 38.947 12.468 46.559 1.00 0.03 H HETATM 1217 H7 ILE A 108 39.079 11.854 44.876 1.00 0.03 H HETATM 1218 CG2 ILE A 108 41.124 10.716 46.133 1.00 -0.06 C HETATM 1219 H8 ILE A 108 42.187 10.491 46.305 1.00 0.02 H HETATM 1220 H9 ILE A 108 40.762 10.139 45.270 1.00 0.02 H HETATM 1221 H10 ILE A 108 40.542 10.444 47.026 1.00 0.02 H HETATM 1222 H5 ILE A 108 41.517 12.438 44.933 1.00 0.04 H HETATM 1223 H4 ILE A 108 41.421 14.134 46.719 1.00 0.11 H HETATM 1224 H1 ILE A 108 43.344 13.409 47.909 1.00 0.20 H HETATM 1225 H2 ILE A 108 43.471 13.054 46.306 1.00 0.20 H HETATM 1226 H3 ILE A 108 43.138 11.860 47.390 1.00 0.20 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 80 81 89 90 91 CONECT 89 80 CONECT 90 80 CONECT 91 80 CONECT 901 902 909 910 911 CONECT 909 901 CONECT 910 901 CONECT 911 901 CONECT 1104 1105 1224 1225 1226 CONECT 1105 1104 1106 1210 1223 CONECT 1106 1105 1107 1108 CONECT 1107 1106 CONECT 1108 1106 1109 1209 CONECT 1109 1108 1110 1197 1208 CONECT 1110 1109 1111 1112 CONECT 1111 1110 CONECT 1112 1110 1113 1189 CONECT 1113 1112 1114 1187 1196 CONECT 1114 1113 1115 1116 CONECT 1115 1114 CONECT 1116 1114 1117 1186 CONECT 1117 1116 1118 1129 1185 CONECT 1118 1117 1119 1123 1128 CONECT 1119 1118 1120 1121 1122 CONECT 1120 1119 CONECT 1121 1119 CONECT 1122 1119 CONECT 1123 1118 1124 CONECT 1124 1123 1125 1126 1127 CONECT 1125 1124 CONECT 1126 1124 CONECT 1127 1124 CONECT 1128 1118 CONECT 1129 1117 1130 1131 CONECT 1130 1129 CONECT 1131 1129 1132 1184 CONECT 1132 1131 1133 1172 1183 CONECT 1133 1132 1134 1135 CONECT 1134 1133 CONECT 1135 1133 1136 1171 CONECT 1136 1135 1137 1156 1170 CONECT 1137 1136 1138 1139 CONECT 1138 1137 CONECT 1139 1137 1140 1155 CONECT 1140 1139 1141 1144 1154 CONECT 1141 1140 1142 1143 CONECT 1142 1141 CONECT 1143 1141 CONECT 1144 1140 1145 1149 1153 CONECT 1145 1144 1146 1147 1148 CONECT 1146 1145 CONECT 1147 1145 CONECT 1148 1145 CONECT 1149 1144 1150 1151 1152 CONECT 1150 1149 CONECT 1151 1149 CONECT 1152 1149 CONECT 1153 1144 CONECT 1154 1140 CONECT 1155 1139 CONECT 1156 1136 1157 1168 1169 CONECT 1157 1156 1158 1162 CONECT 1158 1157 1159 1167 CONECT 1159 1158 1160 1166 CONECT 1160 1159 1161 1165 CONECT 1161 1160 1162 1164 CONECT 1162 1157 1161 1163 CONECT 1163 1162 CONECT 1164 1161 CONECT 1165 1160 CONECT 1166 1159 CONECT 1167 1158 CONECT 1168 1156 CONECT 1169 1156 CONECT 1170 1136 CONECT 1171 1135 CONECT 1172 1132 1173 1181 1182 CONECT 1173 1172 1174 1179 1180 CONECT 1174 1173 1175 1176 CONECT 1175 1174 CONECT 1176 1174 1177 1178 CONECT 1177 1176 CONECT 1178 1176 CONECT 1179 1173 CONECT 1180 1173 CONECT 1181 1172 CONECT 1182 1172 CONECT 1183 1132 CONECT 1184 1131 CONECT 1185 1117 CONECT 1186 1116 CONECT 1187 1113 1188 1194 1195 CONECT 1188 1187 1189 1192 1193 CONECT 1189 1112 1188 1190 1191 CONECT 1190 1189 CONECT 1191 1189 CONECT 1192 1188 CONECT 1193 1188 CONECT 1194 1187 CONECT 1195 1187 CONECT 1196 1113 CONECT 1197 1109 1198 1206 1207 CONECT 1198 1197 1199 1204 1205 CONECT 1199 1198 1200 1201 CONECT 1200 1199 CONECT 1201 1199 1202 1203 CONECT 1202 1201 CONECT 1203 1201 CONECT 1204 1198 CONECT 1205 1198 CONECT 1206 1197 CONECT 1207 1197 CONECT 1208 1109 CONECT 1209 1108 CONECT 1210 1105 1211 1218 1222 CONECT 1211 1210 1212 1216 1217 CONECT 1212 1211 1213 1214 1215 CONECT 1213 1212 CONECT 1214 1212 CONECT 1215 1212 CONECT 1216 1211 CONECT 1217 1211 CONECT 1218 1210 1219 1220 1221 CONECT 1219 1218 CONECT 1220 1218 CONECT 1221 1218 CONECT 1222 1210 CONECT 1223 1105 CONECT 1224 1104 CONECT 1225 1104 CONECT 1226 1104 MASTER 0 0 0 0 0 0 0 0 1223 3 135 9 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 5yyz
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1g6g
RCSB PDB
PDBbind
13-mer
1gag
RCSB PDB
PDBbind
13-mer
1haa
RCSB PDB
PDBbind
13-mer
1hc9
RCSB PDB
PDBbind
13-mer
1i8h
RCSB PDB
PDBbind
13-mer
1j4p
RCSB PDB
PDBbind
13-mer
1j4q
RCSB PDB
PDBbind
13-mer
1juq
RCSB PDB
PDBbind
13-mer
1jwm
RCSB PDB
PDBbind
13-mer
1jws
RCSB PDB
PDBbind
13-mer
1jwu
RCSB PDB
PDBbind
13-mer
1k3n
RCSB PDB
PDBbind
13-mer
1k3q
RCSB PDB
PDBbind
13-mer
1oeb
RCSB PDB
PDBbind
13-mer
1opi
RCSB PDB
PDBbind
13-mer
1osv
RCSB PDB
PDBbind
13-mer
1ow6
RCSB PDB
PDBbind
13-mer
1ow7
RCSB PDB
PDBbind
13-mer
1ow8
RCSB PDB
PDBbind
13-mer
1p4u
RCSB PDB
PDBbind
13-mer
1r5v
RCSB PDB
PDBbind
13-mer
1r5w
RCSB PDB
PDBbind
13-mer
1rgj
RCSB PDB
PDBbind
13-mer
1sjh
RCSB PDB
PDBbind
13-mer
1sm3
RCSB PDB
PDBbind
13-mer
1thr
RCSB PDB
PDBbind
13-mer
1u9l
RCSB PDB
PDBbind
13-mer
1uef
RCSB PDB
PDBbind
13-mer
1yvh
RCSB PDB
PDBbind
13-mer
1ywh
RCSB PDB
PDBbind
13-mer
1zhk
RCSB PDB
PDBbind
13-mer
1zhl
RCSB PDB
PDBbind
13-mer
2a25
RCSB PDB
PDBbind
13-mer
2c9t
RCSB PDB
PDBbind
13-mer
2dwx
RCSB PDB
PDBbind
13-mer
2fts
RCSB PDB
PDBbind
13-mer
2las
RCSB PDB
PDBbind
13-mer
2lct
RCSB PDB
PDBbind
13-mer
2lsp
RCSB PDB
PDBbind
13-mer
2lto
RCSB PDB
PDBbind
13-mer
2lyw
RCSB PDB
PDBbind
13-mer
2mc1
RCSB PDB
PDBbind
13-mer
2mkr
RCSB PDB
PDBbind
13-mer
2ndf
RCSB PDB
PDBbind
13-mer
2ndg
RCSB PDB
PDBbind
13-mer
2qki
RCSB PDB
PDBbind
13-mer
2r0y
RCSB PDB
PDBbind
13-mer
2rnx
RCSB PDB
PDBbind
13-mer
2v87
RCSB PDB
PDBbind
13-mer
2vr3
RCSB PDB
PDBbind
13-mer
3ask
RCSB PDB
PDBbind
13-mer
3bum
RCSB PDB
PDBbind
13-mer
3bun
RCSB PDB
PDBbind
13-mer
3buo
RCSB PDB
PDBbind
13-mer
3buw
RCSB PDB
PDBbind
13-mer
3bux
RCSB PDB
PDBbind
13-mer
3c3o
RCSB PDB
PDBbind
13-mer
3c3r
RCSB PDB
PDBbind
13-mer
3coj
RCSB PDB
PDBbind
13-mer
3e1r
RCSB PDB
PDBbind
13-mer
3eg6
RCSB PDB
PDBbind
13-mer
3emh
RCSB PDB
PDBbind
13-mer
3g2s
RCSB PDB
PDBbind
13-mer
3g2t
RCSB PDB
PDBbind
13-mer
3g2u
RCSB PDB
PDBbind
13-mer
3g2v
RCSB PDB
PDBbind
13-mer
3ml4
RCSB PDB
PDBbind
13-mer
3n5u
RCSB PDB
PDBbind
13-mer
3nfk
RCSB PDB
PDBbind
13-mer
3nti
RCSB PDB
PDBbind
13-mer
3o1d
RCSB PDB
PDBbind
13-mer
3o1e
RCSB PDB
PDBbind
13-mer
3q5u
RCSB PDB
PDBbind
13-mer
3rqf
RCSB PDB
PDBbind
13-mer
3rqg
RCSB PDB
PDBbind
13-mer
3rz9
RCSB PDB
PDBbind
13-mer
3s7f
RCSB PDB
PDBbind
13-mer
3tdz
RCSB PDB
PDBbind
13-mer
3ui2
RCSB PDB
PDBbind
13-mer
4abi
RCSB PDB
PDBbind
13-mer
4abj
RCSB PDB
PDBbind
13-mer
4b9w
RCSB PDB
PDBbind
13-mer
4bea
RCSB PDB
PDBbind
13-mer
4bv2
RCSB PDB
PDBbind
13-mer
4f14
RCSB PDB
PDBbind
13-mer
4f20
RCSB PDB
PDBbind
13-mer
4h3q
RCSB PDB
PDBbind
13-mer
4ib5
RCSB PDB
PDBbind
13-mer
4jmg
RCSB PDB
PDBbind
13-mer
4jmh
RCSB PDB
PDBbind
13-mer
4l1u
RCSB PDB
PDBbind
13-mer
4m7c
RCSB PDB
PDBbind
13-mer
4mz5
RCSB PDB
PDBbind
13-mer
4mz6
RCSB PDB
PDBbind
13-mer
4n7h
RCSB PDB
PDBbind
13-mer
4po7
RCSB PDB
PDBbind
13-mer
4qh8
RCSB PDB
PDBbind
13-mer
4rme
RCSB PDB
PDBbind
13-mer
4um9
RCSB PDB
PDBbind
13-mer
4umn
RCSB PDB
PDBbind
13-mer
4w4z
RCSB PDB
PDBbind
13-mer
4wj7
RCSB PDB
PDBbind
13-mer
4x3e
RCSB PDB
PDBbind
13-mer
4yjl
RCSB PDB
PDBbind
13-mer
4z0d
RCSB PDB
PDBbind
13-mer
4z0e
RCSB PDB
PDBbind
13-mer
4z0f
RCSB PDB
PDBbind
13-mer
5cil
RCSB PDB
PDBbind
13-mer
5dd0
RCSB PDB
PDBbind
13-mer
5dhf
RCSB PDB
PDBbind
13-mer
5dx3
RCSB PDB
PDBbind
13-mer
5dxb
RCSB PDB
PDBbind
13-mer
5dxe
RCSB PDB
PDBbind
13-mer
5dxg
RCSB PDB
PDBbind
13-mer
5e0m
RCSB PDB
PDBbind
13-mer
5eay
RCSB PDB
PDBbind
13-mer
5eyz
RCSB PDB
PDBbind
13-mer
5fyq
RCSB PDB
PDBbind
13-mer
5gg4
RCSB PDB
PDBbind
13-mer
5h1e
RCSB PDB
PDBbind
13-mer
5h7g
RCSB PDB
PDBbind
13-mer
5hyr
RCSB PDB
PDBbind
13-mer
5hyx
RCSB PDB
PDBbind
13-mer
5jr2
RCSB PDB
PDBbind
13-mer
5kgn
RCSB PDB
PDBbind
13-mer
5lgp
RCSB PDB
PDBbind
13-mer
5lu2
RCSB PDB
PDBbind
13-mer
5n8b
RCSB PDB
PDBbind
13-mer
5n8e
RCSB PDB
PDBbind
13-mer
5n8t
RCSB PDB
PDBbind
13-mer
5t6j
RCSB PDB
PDBbind
13-mer
5u6k
RCSB PDB
PDBbind
13-mer
5umz
RCSB PDB
PDBbind
13-mer
5vqi
RCSB PDB
PDBbind
13-mer
5wgd
RCSB PDB
PDBbind
13-mer
5wgq
RCSB PDB
PDBbind
13-mer
6bij
RCSB PDB
PDBbind
13-mer
6bil
RCSB PDB
PDBbind
13-mer
6bin
RCSB PDB
PDBbind
13-mer
6bir
RCSB PDB
PDBbind
13-mer
6biv
RCSB PDB
PDBbind
13-mer
6bix
RCSB PDB
PDBbind
13-mer
6biy
RCSB PDB
PDBbind
13-mer
6bnh
RCSB PDB
PDBbind
13-mer
6cf6
RCSB PDB
PDBbind
13-mer
6drt
RCSB PDB
PDBbind
13-mer
6e8k
RCSB PDB
PDBbind
13-mer
6e8m
RCSB PDB
PDBbind
13-mer
6o7g
RCSB PDB
PDBbind
13-mer
6o3y
RCSB PDB
PDBbind
13-mer
6nkp
RCSB PDB
PDBbind
13-mer
6n9t
RCSB PDB
PDBbind
13-mer
6n87
RCSB PDB
PDBbind
13-mer
6n7q
RCSB PDB
PDBbind
13-mer
6hy7
RCSB PDB
PDBbind
13-mer
6bcy
RCSB PDB
PDBbind
13-mer
5yy9
RCSB PDB
PDBbind
13-mer
5mtw
RCSB PDB
PDBbind
13-mer
Entry Information
PDB ID
5yyz
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Mek1 FHA
Ligand Name
13-mer
EC.Number
E.C.-.-.-.-
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Kd=66.2uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Acta Crystallogr D Struct Biol Vol. 74: pp. 1027-1038
Ligand Properties
Formula
C
3
9
H
6
4
N
9
O
1
4
P
Molecular Weight
913.951
Exact Mass
913.431
No. of atoms
127
No. of bonds
128
Polar Surface Area
400.44
LOGP Value
-3.66 (
Computed with XLOGP3
)
-0.08 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 8
No. of Hydrogen Bond Acceptors: 13
No. of Rotatable Bonds: 30
No. of Nitrogen and Oxygen Atoms: 23
No. of Rings: 2
Canonical SMILES
CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@H](OP(O)(O)O)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)Cc1ccccc1)CCC(=O)N)CCC(=O)N)[NH3+])C
InChI String
InChI=1S/C39H64N9O14P/c1-6-21(4)30(42)36(54)44-25(15-17-29(41)50)38(56)48-18-10-13-27(48)35(53)47-32(22(5)62-63(59,60)61)37(55)43-24(14-16-28(40)49)33(51)45-26(19-23-11-8-7-9-12-23)34(52)46-31(20(2)3)39(57)58/h7-9,11-12,20-22,24-27,30-32,59-61,63H,6,10,13-19,42H2,1-5H3,(H2,40,49)(H2,41,50)(H,43,55)(H,44,54)(H,45,51)(H,46,52)(H,47,53)(H,57,58)/p+1/t21-,22+,24-,25-,26-,27-,30-,31-,32-/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):
P20050
P24719
Entrez Gene ID
NCBI Entrez Gene ID:
854738
854533
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝e湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com