Browse entries in the PDBbind-CN Database
HEADER 4W9P_COMPLEX COMPND 4W9P_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 79 THR GLU GLN GLY GLU ASP ILE THR SER LYS LYS ASP ARG SEQRES 2 A 79 GLY VAL LEU LYS ILE VAL LYS ARG VAL GLY ASN GLY GLU SEQRES 3 A 79 GLU THR PRO MET ILE GLY ASP LYS VAL TYR VAL HIS TYR SEQRES 4 A 79 LYS GLY LYS LEU SER ASN GLY LYS LYS PHE ASP SER SER SEQRES 5 A 79 HIS ASP ARG ASN GLU PRO PHE VAL PHE SER LEU GLY LYS SEQRES 6 A 79 GLY GLN VAL ILE LYS ALA TRP ASP ILE GLY VAL ALA THR SEQRES 7 A 79 MET SEQRES 1 A 41 LYS GLY GLU ILE CYS HIS LEU LEU CYS LYS PRO GLU TYR SEQRES 2 A 41 ALA TYR GLY SER ALA GLY SER LEU PRO LYS ILE PRO SER SEQRES 3 A 41 ASN ALA THR LEU PHE PHE GLU ILE GLU LEU LEU ASP PHE SEQRES 4 A 41 LYS GLY HET UNN A 263 71 ATOM 1 N THR A 19 23.725 7.204 12.627 1.00 58.56 N ATOM 2 CA THR A 19 22.321 7.708 12.526 1.00 60.59 C ATOM 3 C THR A 19 22.223 9.250 12.349 1.00 55.70 C ATOM 4 O THR A 19 21.126 9.787 12.179 1.00 55.64 O ATOM 5 CB THR A 19 21.493 7.240 13.746 1.00 62.12 C ATOM 6 OG1 THR A 19 22.054 6.029 14.261 1.00 60.03 O ATOM 7 CG2 THR A 19 20.028 6.989 13.362 1.00 61.60 C ATOM 8 HG1 THR A 19 21.525 5.728 15.042 1.00 0.00 H ATOM 9 HN3 THR A 19 24.191 7.641 13.448 1.00 0.00 H ATOM 10 HN2 THR A 19 24.244 7.451 11.760 1.00 0.00 H ATOM 11 HN1 THR A 19 23.714 6.171 12.743 1.00 0.00 H ATOM 12 N GLU A 20 23.361 9.949 12.381 1.00 53.57 N ATOM 13 CA GLU A 20 23.401 11.401 12.107 1.00 49.34 C ATOM 14 C GLU A 20 23.095 11.717 10.650 1.00 40.61 C ATOM 15 O GLU A 20 22.403 12.683 10.348 1.00 30.35 O ATOM 16 CB GLU A 20 24.778 12.008 12.449 1.00 54.06 C ATOM 17 CG GLU A 20 24.971 12.368 13.915 1.00 60.36 C ATOM 18 CD GLU A 20 23.878 13.285 14.450 1.00 64.90 C ATOM 19 OE1 GLU A 20 23.419 14.181 13.705 1.00 67.47 O ATOM 20 OE2 GLU A 20 23.473 13.099 15.618 1.00 67.85 O ATOM 21 H GLU A 20 24.248 9.455 12.606 1.00 0.00 H ATOM 22 N GLN A 21 23.649 10.917 9.749 1.00 35.03 N ATOM 23 CA GLN A 21 23.447 11.131 8.343 1.00 34.74 C ATOM 24 C GLN A 21 22.491 10.111 7.756 1.00 31.54 C ATOM 25 O GLN A 21 22.362 10.044 6.541 1.00 32.69 O ATOM 26 CB GLN A 21 24.789 11.078 7.618 1.00 38.33 C ATOM 27 CG GLN A 21 25.665 12.281 7.899 1.00 39.82 C ATOM 28 CD GLN A 21 27.001 12.186 7.201 1.00 43.21 C ATOM 29 OE1 GLN A 21 27.237 11.260 6.421 1.00 48.87 O ATOM 30 NE2 GLN A 21 27.887 13.145 7.470 1.00 42.65 N ATOM 31 HE22 GLN A 21 27.643 13.906 8.135 1.00 0.00 H ATOM 32 HE21 GLN A 21 28.822 13.132 7.015 1.00 0.00 H ATOM 33 H GLN A 21 24.239 10.122 10.066 1.00 0.00 H ATOM 34 N GLY A 22 21.828 9.334 8.617 1.00 26.35 N ATOM 35 CA GLY A 22 20.790 8.392 8.197 1.00 22.65 C ATOM 36 C GLY A 22 21.019 6.961 8.641 1.00 20.31 C ATOM 37 O GLY A 22 22.008 6.639 9.290 1.00 22.14 O ATOM 38 H GLY A 22 22.059 9.401 9.629 1.00 0.00 H ATOM 39 N GLU A 23 20.118 6.089 8.244 1.00 17.96 N ATOM 40 CA GLU A 23 20.161 4.684 8.638 1.00 17.93 C ATOM 41 C GLU A 23 21.092 3.929 7.685 1.00 16.04 C ATOM 42 O GLU A 23 20.960 4.055 6.461 1.00 14.98 O ATOM 43 CB GLU A 23 18.787 4.077 8.562 1.00 21.37 C ATOM 44 CG GLU A 23 18.681 2.600 8.914 1.00 25.05 C ATOM 45 CD GLU A 23 17.276 2.047 8.655 1.00 30.07 C ATOM 46 OE1 GLU A 23 17.056 0.818 8.783 1.00 32.66 O ATOM 47 OE2 GLU A 23 16.381 2.843 8.300 1.00 36.24 O ATOM 48 H GLU A 23 19.346 6.412 7.626 1.00 0.00 H ATOM 49 N ASP A 24 22.021 3.150 8.253 1.00 15.85 N ATOM 50 CA ASP A 24 22.862 2.301 7.446 1.00 15.14 C ATOM 51 C ASP A 24 22.038 1.083 6.990 1.00 15.72 C ATOM 52 O ASP A 24 21.657 0.196 7.803 1.00 15.11 O ATOM 53 CB ASP A 24 24.107 1.881 8.246 1.00 16.08 C ATOM 54 CG ASP A 24 25.117 1.101 7.423 1.00 17.38 C ATOM 55 OD1 ASP A 24 24.803 0.707 6.256 1.00 18.21 O ATOM 56 OD2 ASP A 24 26.244 0.885 7.946 1.00 18.38 O ATOM 57 H ASP A 24 22.137 3.157 9.286 1.00 0.00 H ATOM 58 N ILE A 25 21.780 1.023 5.685 1.00 14.17 N ATOM 59 CA ILE A 25 20.974 -0.057 5.116 1.00 14.08 C ATOM 60 C ILE A 25 21.777 -1.127 4.390 1.00 14.23 C ATOM 61 O ILE A 25 21.209 -2.031 3.774 1.00 14.12 O ATOM 62 CB ILE A 25 19.845 0.476 4.214 1.00 14.02 C ATOM 63 CG1 ILE A 25 20.391 1.284 3.053 1.00 13.73 C ATOM 64 CG2 ILE A 25 18.880 1.269 5.048 1.00 15.04 C ATOM 65 CD1 ILE A 25 19.355 1.587 1.975 1.00 14.05 C ATOM 66 H ILE A 25 22.160 1.760 5.057 1.00 0.00 H ATOM 67 N THR A 26 23.110 -1.035 4.475 1.00 14.20 N ATOM 68 CA THR A 26 24.005 -2.064 3.896 1.00 14.27 C ATOM 69 C THR A 26 23.985 -3.373 4.703 1.00 14.67 C ATOM 70 O THR A 26 23.781 -3.358 5.918 1.00 15.05 O ATOM 71 CB THR A 26 25.452 -1.584 3.797 1.00 14.57 C ATOM 72 OG1 THR A 26 25.988 -1.350 5.117 1.00 13.66 O ATOM 73 CG2 THR A 26 25.566 -0.285 2.942 1.00 14.07 C ATOM 74 HG1 THR A 26 25.446 -0.659 5.574 1.00 0.00 H ATOM 75 H THR A 26 23.529 -0.217 4.962 1.00 0.00 H ATOM 76 N SER A 27 24.187 -4.497 4.016 1.00 15.85 N ATOM 77 CA SER A 27 24.271 -5.769 4.722 1.00 16.74 C ATOM 78 C SER A 27 25.533 -5.839 5.546 1.00 17.95 C ATOM 79 O SER A 27 25.507 -6.417 6.626 1.00 20.05 O ATOM 80 CB SER A 27 24.131 -6.966 3.797 1.00 19.36 C ATOM 81 OG SER A 27 25.048 -6.901 2.761 1.00 24.04 O ATOM 82 HG SER A 27 24.895 -6.075 2.238 1.00 0.00 H ATOM 83 H SER A 27 24.284 -4.466 2.981 1.00 0.00 H ATOM 84 N LYS A 28 26.599 -5.209 5.072 1.00 18.29 N ATOM 85 CA LYS A 28 27.879 -5.156 5.805 1.00 19.87 C ATOM 86 C LYS A 28 27.931 -4.173 7.008 1.00 19.73 C ATOM 87 O LYS A 28 28.836 -4.236 7.854 1.00 18.30 O ATOM 88 CB LYS A 28 29.012 -4.806 4.826 1.00 19.54 C ATOM 89 CG LYS A 28 29.318 -5.824 3.748 1.00 20.48 C ATOM 90 CD LYS A 28 30.310 -5.251 2.750 1.00 21.65 C ATOM 91 CE LYS A 28 30.753 -6.289 1.763 1.00 24.31 C ATOM 92 NZ LYS A 28 31.679 -5.713 0.757 1.00 24.89 N ATOM 93 HZ1 LYS A 28 31.197 -4.949 0.242 1.00 0.00 H ATOM 94 HZ2 LYS A 28 32.519 -5.333 1.238 1.00 0.00 H ATOM 95 HZ3 LYS A 28 31.968 -6.455 0.088 1.00 0.00 H ATOM 96 H LYS A 28 26.531 -4.734 4.149 1.00 0.00 H ATOM 97 N LYS A 29 26.978 -3.247 7.090 1.00 17.67 N ATOM 98 CA LYS A 29 26.997 -2.167 8.053 1.00 19.39 C ATOM 99 C LYS A 29 28.297 -1.397 7.980 1.00 17.70 C ATOM 100 O LYS A 29 28.929 -1.086 9.000 1.00 16.31 O ATOM 101 CB LYS A 29 26.716 -2.685 9.452 1.00 21.45 C ATOM 102 CG LYS A 29 25.325 -3.240 9.587 1.00 23.82 C ATOM 103 CD LYS A 29 24.382 -2.128 9.956 1.00 26.98 C ATOM 104 CE LYS A 29 22.947 -2.446 9.603 1.00 29.19 C ATOM 105 NZ LYS A 29 22.296 -3.358 10.564 1.00 31.94 N ATOM 106 HZ1 LYS A 29 22.818 -4.257 10.595 1.00 0.00 H ATOM 107 HZ2 LYS A 29 22.297 -2.923 11.509 1.00 0.00 H ATOM 108 HZ3 LYS A 29 21.316 -3.534 10.263 1.00 0.00 H ATOM 109 H LYS A 29 26.178 -3.303 6.427 1.00 0.00 H ATOM 110 N ASP A 30 28.680 -1.059 6.760 1.00 15.32 N ATOM 111 CA ASP A 30 29.876 -0.256 6.502 1.00 15.29 C ATOM 112 C ASP A 30 29.616 1.228 6.226 1.00 16.11 C ATOM 113 O ASP A 30 30.512 1.974 5.789 1.00 16.81 O ATOM 114 CB ASP A 30 30.693 -0.886 5.374 1.00 15.73 C ATOM 115 CG ASP A 30 29.962 -0.899 4.042 1.00 15.77 C ATOM 116 OD1 ASP A 30 30.521 -1.501 3.112 1.00 16.31 O ATOM 117 OD2 ASP A 30 28.864 -0.319 3.942 1.00 15.16 O ATOM 118 H ASP A 30 28.108 -1.377 5.951 1.00 0.00 H ATOM 119 N ARG A 31 28.385 1.654 6.486 1.00 16.72 N ATOM 120 CA ARG A 31 27.982 3.046 6.317 1.00 19.67 C ATOM 121 C ARG A 31 28.075 3.479 4.859 1.00 16.78 C ATOM 122 O ARG A 31 28.084 4.669 4.585 1.00 17.18 O ATOM 123 CB ARG A 31 28.809 3.981 7.236 1.00 24.33 C ATOM 124 CG ARG A 31 28.467 3.804 8.716 1.00 32.04 C ATOM 125 CD ARG A 31 29.600 4.293 9.603 1.00 38.97 C ATOM 126 NE ARG A 31 29.227 4.250 11.020 1.00 46.56 N ATOM 127 CZ ARG A 31 28.815 5.296 11.745 1.00 48.72 C ATOM 128 NH1 ARG A 31 28.511 5.117 13.028 1.00 50.20 N ATOM 129 NH2 ARG A 31 28.702 6.514 11.206 1.00 50.45 N ATOM 130 HE ARG A 31 29.288 3.330 11.502 1.00 0.00 H ATOM 131 HH12 ARG A 31 28.189 5.921 13.603 1.00 0.00 H ATOM 132 HH11 ARG A 31 28.595 4.173 13.455 1.00 0.00 H ATOM 133 HH22 ARG A 31 28.380 7.313 11.789 1.00 0.00 H ATOM 134 HH21 ARG A 31 28.936 6.663 10.204 1.00 0.00 H ATOM 135 H ARG A 31 27.680 0.968 6.824 1.00 0.00 H ATOM 136 N GLY A 32 28.062 2.529 3.913 1.00 14.98 N ATOM 137 CA GLY A 32 28.213 2.909 2.503 1.00 14.01 C ATOM 138 C GLY A 32 26.979 3.430 1.783 1.00 12.78 C ATOM 139 O GLY A 32 27.100 4.077 0.724 1.00 12.17 O ATOM 140 H GLY A 32 27.946 1.530 4.176 1.00 0.00 H ATOM 141 N VAL A 33 25.812 3.134 2.358 1.00 12.08 N ATOM 142 CA VAL A 33 24.516 3.574 1.864 1.00 11.48 C ATOM 143 C VAL A 33 23.694 3.964 3.068 1.00 12.33 C ATOM 144 O VAL A 33 23.374 3.112 3.894 1.00 11.41 O ATOM 145 CB VAL A 33 23.789 2.485 1.059 1.00 11.58 C ATOM 146 CG1 VAL A 33 22.541 3.060 0.421 1.00 11.46 C ATOM 147 CG2 VAL A 33 24.724 1.901 0.002 1.00 12.33 C ATOM 148 H VAL A 33 25.830 2.549 3.218 1.00 0.00 H ATOM 149 N LEU A 34 23.407 5.250 3.168 1.00 11.60 N ATOM 150 CA LEU A 34 22.680 5.800 4.300 1.00 12.80 C ATOM 151 C LEU A 34 21.364 6.372 3.819 1.00 12.98 C ATOM 152 O LEU A 34 21.300 7.086 2.816 1.00 11.79 O ATOM 153 CB LEU A 34 23.521 6.855 4.985 1.00 12.60 C ATOM 154 CG LEU A 34 24.885 6.421 5.512 1.00 13.80 C ATOM 155 CD1 LEU A 34 25.589 7.571 6.181 1.00 14.49 C ATOM 156 CD2 LEU A 34 24.716 5.268 6.470 1.00 15.23 C ATOM 157 H LEU A 34 23.712 5.892 2.409 1.00 0.00 H ATOM 158 N LYS A 35 20.317 6.071 4.573 1.00 12.30 N ATOM 159 CA LYS A 35 18.978 6.369 4.132 1.00 12.28 C ATOM 160 C LYS A 35 18.238 7.248 5.128 1.00 12.91 C ATOM 161 O LYS A 35 18.215 6.968 6.335 1.00 13.31 O ATOM 162 CB LYS A 35 18.204 5.066 3.919 1.00 12.99 C ATOM 163 CG LYS A 35 16.765 5.280 3.475 1.00 13.49 C ATOM 164 CD LYS A 35 15.946 3.993 3.328 1.00 14.21 C ATOM 165 CE LYS A 35 14.517 4.295 2.969 1.00 14.84 C ATOM 166 NZ LYS A 35 13.634 3.103 3.025 1.00 13.64 N ATOM 167 HZ1 LYS A 35 13.981 2.385 2.358 1.00 0.00 H ATOM 168 HZ2 LYS A 35 13.640 2.714 3.989 1.00 0.00 H ATOM 169 HZ3 LYS A 35 12.665 3.379 2.767 1.00 0.00 H ATOM 170 H LYS A 35 20.464 5.614 5.495 1.00 0.00 H ATOM 171 N ILE A 36 17.601 8.287 4.602 1.00 12.72 N ATOM 172 CA ILE A 36 16.689 9.131 5.411 1.00 13.70 C ATOM 173 C ILE A 36 15.300 9.146 4.731 1.00 13.41 C ATOM 174 O ILE A 36 15.175 9.594 3.598 1.00 13.31 O ATOM 175 CB ILE A 36 17.190 10.571 5.535 1.00 15.36 C ATOM 176 CG1 ILE A 36 18.542 10.608 6.263 1.00 16.16 C ATOM 177 CG2 ILE A 36 16.174 11.451 6.250 1.00 16.33 C ATOM 178 CD1 ILE A 36 19.320 11.893 6.104 1.00 17.57 C ATOM 179 H ILE A 36 17.745 8.515 3.598 1.00 0.00 H ATOM 180 N VAL A 37 14.259 8.749 5.460 1.00 12.69 N ATOM 181 CA VAL A 37 12.891 8.867 4.944 1.00 13.66 C ATOM 182 C VAL A 37 12.411 10.330 5.001 1.00 14.43 C ATOM 183 O VAL A 37 12.457 10.984 6.045 1.00 14.36 O ATOM 184 CB VAL A 37 11.940 7.885 5.666 1.00 13.67 C ATOM 185 CG1 VAL A 37 10.487 8.108 5.234 1.00 13.11 C ATOM 186 CG2 VAL A 37 12.363 6.450 5.405 1.00 14.59 C ATOM 187 H VAL A 37 14.418 8.350 6.407 1.00 0.00 H ATOM 188 N LYS A 38 11.996 10.857 3.854 1.00 13.55 N ATOM 189 CA LYS A 38 11.419 12.208 3.759 1.00 15.29 C ATOM 190 C LYS A 38 9.917 12.207 3.800 1.00 15.30 C ATOM 191 O LYS A 38 9.346 13.115 4.362 1.00 16.60 O ATOM 192 CB LYS A 38 11.922 12.930 2.507 1.00 16.92 C ATOM 193 CG LYS A 38 13.439 13.075 2.413 1.00 20.72 C ATOM 194 CD LYS A 38 14.039 13.809 3.599 1.00 25.55 C ATOM 195 CE LYS A 38 13.698 15.295 3.562 1.00 29.82 C ATOM 196 NZ LYS A 38 14.329 15.982 4.719 1.00 33.23 N ATOM 197 HZ1 LYS A 38 13.972 15.567 5.604 1.00 0.00 H ATOM 198 HZ2 LYS A 38 15.361 15.863 4.671 1.00 0.00 H ATOM 199 HZ3 LYS A 38 14.094 16.995 4.690 1.00 0.00 H ATOM 200 H LYS A 38 12.083 10.291 2.986 1.00 0.00 H ATOM 201 N ARG A 39 9.287 11.209 3.193 1.00 14.08 N ATOM 202 CA ARG A 39 7.859 11.012 3.259 1.00 14.82 C ATOM 203 C ARG A 39 7.582 9.519 3.322 1.00 15.71 C ATOM 204 O ARG A 39 8.074 8.736 2.519 1.00 14.00 O ATOM 205 CB ARG A 39 7.162 11.609 2.036 1.00 14.29 C ATOM 206 CG ARG A 39 5.640 11.426 2.019 1.00 15.38 C ATOM 207 CD ARG A 39 5.057 12.027 0.771 1.00 15.24 C ATOM 208 NE ARG A 39 5.200 11.182 -0.428 1.00 15.04 N ATOM 209 CZ ARG A 39 5.054 11.599 -1.697 1.00 15.57 C ATOM 210 NH1 ARG A 39 4.782 12.889 -1.981 1.00 16.26 N ATOM 211 NH2 ARG A 39 5.197 10.772 -2.703 1.00 15.40 N ATOM 212 HE ARG A 39 5.433 10.179 -0.280 1.00 0.00 H ATOM 213 HH12 ARG A 39 4.673 13.192 -2.970 1.00 0.00 H ATOM 214 HH11 ARG A 39 4.682 13.581 -1.211 1.00 0.00 H ATOM 215 HH22 ARG A 39 5.080 11.114 -3.678 1.00 0.00 H ATOM 216 HH21 ARG A 39 5.428 9.773 -2.526 1.00 0.00 H ATOM 217 H ARG A 39 9.852 10.533 2.641 1.00 0.00 H ATOM 218 N VAL A 40 6.745 9.133 4.268 1.00 15.90 N ATOM 219 CA VAL A 40 6.421 7.734 4.446 1.00 16.02 C ATOM 220 C VAL A 40 5.452 7.286 3.347 1.00 16.75 C ATOM 221 O VAL A 40 4.533 8.019 2.969 1.00 19.26 O ATOM 222 CB VAL A 40 5.838 7.497 5.863 1.00 15.68 C ATOM 223 CG1 VAL A 40 5.354 6.071 5.972 1.00 15.71 C ATOM 224 CG2 VAL A 40 6.905 7.798 6.896 1.00 15.72 C ATOM 225 H VAL A 40 6.313 9.844 4.893 1.00 0.00 H ATOM 226 N GLY A 41 5.659 6.091 2.792 1.00 18.11 N ATOM 227 CA GLY A 41 4.746 5.562 1.775 1.00 19.34 C ATOM 228 C GLY A 41 3.475 5.050 2.427 1.00 23.70 C ATOM 229 O GLY A 41 3.511 4.576 3.545 1.00 27.15 O ATOM 230 H GLY A 41 6.481 5.526 3.086 1.00 0.00 H ATOM 231 N ASN A 42 2.325 5.156 1.768 1.00 27.89 N ATOM 232 CA ASN A 42 1.182 4.369 2.282 1.00 28.69 C ATOM 233 C ASN A 42 1.228 2.898 1.872 1.00 27.45 C ATOM 234 O ASN A 42 0.509 2.071 2.419 1.00 31.45 O ATOM 235 CB ASN A 42 -0.163 5.021 1.977 1.00 31.13 C ATOM 236 CG ASN A 42 -0.612 5.935 3.103 1.00 34.79 C ATOM 237 OD1 ASN A 42 -0.629 5.535 4.277 1.00 36.72 O ATOM 238 ND2 ASN A 42 -0.959 7.169 2.762 1.00 35.37 N ATOM 239 HD22 ASN A 42 -0.929 7.461 1.764 1.00 0.00 H ATOM 240 HD21 ASN A 42 -1.261 7.845 3.492 1.00 0.00 H ATOM 241 H ASN A 42 2.233 5.764 0.929 1.00 0.00 H ATOM 242 N GLY A 43 2.122 2.574 0.946 1.00 26.11 N ATOM 243 CA GLY A 43 2.366 1.197 0.544 1.00 24.83 C ATOM 244 C GLY A 43 2.747 0.348 1.744 1.00 26.49 C ATOM 245 O GLY A 43 3.269 0.848 2.775 1.00 28.04 O ATOM 246 H GLY A 43 2.669 3.333 0.491 1.00 0.00 H ATOM 247 N GLU A 44 2.451 -0.930 1.587 1.00 28.27 N ATOM 248 CA GLU A 44 2.678 -1.954 2.578 1.00 24.67 C ATOM 249 C GLU A 44 3.934 -2.799 2.259 1.00 20.98 C ATOM 250 O GLU A 44 4.814 -2.879 3.098 1.00 18.70 O ATOM 251 CB GLU A 44 1.417 -2.802 2.648 1.00 29.98 C ATOM 252 CG GLU A 44 0.192 -2.018 3.160 1.00 34.11 C ATOM 253 CD GLU A 44 -0.865 -1.665 2.104 1.00 37.48 C ATOM 254 OE1 GLU A 44 -0.545 -1.654 0.889 1.00 42.16 O ATOM 255 OE2 GLU A 44 -2.042 -1.411 2.499 1.00 32.49 O ATOM 256 H GLU A 44 2.024 -1.219 0.684 1.00 0.00 H ATOM 257 N GLU A 45 4.055 -3.350 1.053 1.00 18.04 N ATOM 258 CA GLU A 45 5.227 -4.189 0.698 1.00 17.64 C ATOM 259 C GLU A 45 6.274 -3.417 -0.089 1.00 16.23 C ATOM 260 O GLU A 45 5.986 -2.457 -0.791 1.00 16.35 O ATOM 261 CB GLU A 45 4.793 -5.403 -0.125 1.00 21.53 C ATOM 262 CG GLU A 45 3.898 -6.367 0.646 1.00 25.23 C ATOM 263 CD GLU A 45 3.859 -7.740 0.011 1.00 29.50 C ATOM 264 OE1 GLU A 45 3.928 -7.837 -1.232 1.00 35.45 O ATOM 265 OE2 GLU A 45 3.794 -8.734 0.765 1.00 33.57 O ATOM 266 H GLU A 45 3.312 -3.189 0.344 1.00 0.00 H ATOM 267 N THR A 46 7.512 -3.844 0.073 1.00 13.71 N ATOM 268 CA THR A 46 8.581 -3.421 -0.815 1.00 13.18 C ATOM 269 C THR A 46 8.497 -4.173 -2.138 1.00 14.07 C ATOM 270 O THR A 46 7.897 -5.245 -2.251 1.00 13.18 O ATOM 271 CB THR A 46 9.978 -3.688 -0.182 1.00 13.81 C ATOM 272 OG1 THR A 46 10.162 -5.097 -0.020 1.00 13.85 O ATOM 273 CG2 THR A 46 10.126 -3.013 1.116 1.00 14.59 C ATOM 274 HG1 THR A 46 11.050 -5.269 0.383 1.00 0.00 H ATOM 275 H THR A 46 7.727 -4.497 0.853 1.00 0.00 H ATOM 276 N PRO A 47 9.133 -3.613 -3.179 1.00 13.96 N ATOM 277 CA PRO A 47 9.243 -4.346 -4.433 1.00 14.92 C ATOM 278 C PRO A 47 10.078 -5.603 -4.228 1.00 15.62 C ATOM 279 O PRO A 47 10.957 -5.622 -3.347 1.00 17.15 O ATOM 280 CB PRO A 47 9.903 -3.334 -5.392 1.00 15.16 C ATOM 281 CG PRO A 47 10.465 -2.258 -4.525 1.00 14.63 C ATOM 282 CD PRO A 47 9.677 -2.239 -3.256 1.00 14.56 C ATOM 283 N MET A 48 9.809 -6.619 -5.043 1.00 16.94 N ATOM 284 CA MET A 48 10.553 -7.859 -4.978 1.00 19.72 C ATOM 285 C MET A 48 11.573 -7.908 -6.079 1.00 18.85 C ATOM 286 O MET A 48 11.473 -7.201 -7.084 1.00 16.62 O ATOM 287 CB MET A 48 9.603 -9.020 -5.083 1.00 23.79 C ATOM 288 CG MET A 48 8.790 -9.075 -3.806 1.00 28.46 C ATOM 289 SD MET A 48 8.288 -10.749 -3.512 1.00 38.37 S ATOM 290 CE MET A 48 6.919 -10.769 -4.652 1.00 32.86 C ATOM 291 H MET A 48 9.046 -6.520 -5.743 1.00 0.00 H ATOM 292 N ILE A 49 12.570 -8.757 -5.862 1.00 19.02 N ATOM 293 CA ILE A 49 13.582 -8.980 -6.888 1.00 20.26 C ATOM 294 C ILE A 49 12.907 -9.365 -8.230 1.00 19.80 C ATOM 295 O ILE A 49 11.967 -10.171 -8.312 1.00 20.32 O ATOM 296 CB ILE A 49 14.671 -9.973 -6.415 1.00 21.92 C ATOM 297 CG1 ILE A 49 15.502 -9.347 -5.275 1.00 24.13 C ATOM 298 CG2 ILE A 49 15.592 -10.369 -7.580 1.00 23.84 C ATOM 299 CD1 ILE A 49 16.295 -10.329 -4.403 1.00 25.91 C ATOM 300 H ILE A 49 12.630 -9.265 -4.957 1.00 0.00 H ATOM 301 N GLY A 50 13.352 -8.698 -9.285 1.00 18.28 N ATOM 302 CA GLY A 50 12.783 -8.869 -10.594 1.00 17.52 C ATOM 303 C GLY A 50 11.607 -7.992 -10.921 1.00 16.89 C ATOM 304 O GLY A 50 11.200 -7.963 -12.052 1.00 17.30 O ATOM 305 H GLY A 50 14.139 -8.029 -9.162 1.00 0.00 H ATOM 306 N ASP A 51 11.049 -7.258 -9.961 1.00 16.55 N ATOM 307 CA ASP A 51 9.943 -6.386 -10.295 1.00 16.11 C ATOM 308 C ASP A 51 10.425 -5.242 -11.147 1.00 16.03 C ATOM 309 O ASP A 51 11.543 -4.782 -10.999 1.00 15.48 O ATOM 310 CB ASP A 51 9.295 -5.774 -9.067 1.00 17.07 C ATOM 311 CG ASP A 51 8.444 -6.755 -8.300 1.00 19.58 C ATOM 312 OD1 ASP A 51 8.320 -7.909 -8.749 1.00 19.86 O ATOM 313 OD2 ASP A 51 7.891 -6.360 -7.241 1.00 20.41 O ATOM 314 H ASP A 51 11.403 -7.310 -8.984 1.00 0.00 H ATOM 315 N LYS A 52 9.539 -4.783 -12.007 1.00 15.41 N ATOM 316 CA LYS A 52 9.728 -3.564 -12.733 1.00 16.51 C ATOM 317 C LYS A 52 9.337 -2.430 -11.808 1.00 14.90 C ATOM 318 O LYS A 52 8.199 -2.360 -11.342 1.00 16.64 O ATOM 319 CB LYS A 52 8.841 -3.568 -13.958 1.00 18.68 C ATOM 320 CG LYS A 52 9.116 -2.478 -14.951 1.00 22.74 C ATOM 321 CD LYS A 52 8.097 -2.584 -16.097 1.00 25.56 C ATOM 322 CE LYS A 52 8.702 -2.177 -17.429 1.00 29.14 C ATOM 323 NZ LYS A 52 7.787 -2.424 -18.589 1.00 30.20 N ATOM 324 HZ1 LYS A 52 7.561 -3.438 -18.641 1.00 0.00 H ATOM 325 HZ2 LYS A 52 6.911 -1.879 -18.460 1.00 0.00 H ATOM 326 HZ3 LYS A 52 8.256 -2.126 -19.468 1.00 0.00 H ATOM 327 H LYS A 52 8.667 -5.328 -12.165 1.00 0.00 H ATOM 328 N VAL A 53 10.304 -1.587 -11.450 1.00 13.91 N ATOM 329 CA VAL A 53 10.053 -0.472 -10.541 1.00 13.35 C ATOM 330 C VAL A 53 10.138 0.854 -11.300 1.00 12.48 C ATOM 331 O VAL A 53 10.927 0.997 -12.249 1.00 12.29 O ATOM 332 CB VAL A 53 11.010 -0.493 -9.317 1.00 13.57 C ATOM 333 CG1 VAL A 53 10.946 -1.849 -8.632 1.00 13.40 C ATOM 334 CG2 VAL A 53 12.439 -0.196 -9.704 1.00 14.29 C ATOM 335 H VAL A 53 11.263 -1.726 -11.828 1.00 0.00 H ATOM 336 N TYR A 54 9.300 1.789 -10.864 1.00 11.64 N ATOM 337 CA TYR A 54 9.134 3.096 -11.439 1.00 11.04 C ATOM 338 C TYR A 54 9.437 4.125 -10.404 1.00 10.42 C ATOM 339 O TYR A 54 8.801 4.162 -9.345 1.00 10.03 O ATOM 340 CB TYR A 54 7.646 3.290 -11.853 1.00 11.85 C ATOM 341 CG TYR A 54 7.153 2.411 -12.971 1.00 14.78 C ATOM 342 CD1 TYR A 54 6.936 2.941 -14.241 1.00 15.75 C ATOM 343 CD2 TYR A 54 6.910 1.054 -12.770 1.00 16.51 C ATOM 344 CE1 TYR A 54 6.497 2.142 -15.286 1.00 19.33 C ATOM 345 CE2 TYR A 54 6.449 0.259 -13.806 1.00 19.52 C ATOM 346 CZ TYR A 54 6.259 0.816 -15.060 1.00 19.91 C ATOM 347 OH TYR A 54 5.785 0.049 -16.120 1.00 24.74 O ATOM 348 HH TYR A 54 5.715 0.615 -16.929 1.00 0.00 H ATOM 349 H TYR A 54 8.715 1.555 -10.037 1.00 0.00 H ATOM 350 N VAL A 55 10.433 4.958 -10.675 1.00 10.27 N ATOM 351 CA VAL A 55 10.804 6.000 -9.716 1.00 10.28 C ATOM 352 C VAL A 55 10.973 7.390 -10.356 1.00 11.05 C ATOM 353 O VAL A 55 11.259 7.514 -11.540 1.00 11.79 O ATOM 354 CB VAL A 55 12.113 5.679 -8.934 1.00 10.21 C ATOM 355 CG1 VAL A 55 12.062 4.315 -8.226 1.00 9.64 C ATOM 356 CG2 VAL A 55 13.332 5.769 -9.828 1.00 10.13 C ATOM 357 H VAL A 55 10.952 4.871 -11.572 1.00 0.00 H ATOM 358 N HIS A 56 10.910 8.404 -9.505 1.00 10.34 N ATOM 359 CA HIS A 56 11.457 9.703 -9.827 1.00 11.33 C ATOM 360 C HIS A 56 12.678 9.917 -8.938 1.00 10.33 C ATOM 361 O HIS A 56 12.690 9.436 -7.804 1.00 10.48 O ATOM 362 CB HIS A 56 10.448 10.831 -9.643 1.00 11.57 C ATOM 363 CG HIS A 56 9.742 11.208 -10.904 1.00 12.51 C ATOM 364 ND1 HIS A 56 10.405 11.383 -12.091 1.00 12.71 N ATOM 365 CD2 HIS A 56 8.432 11.440 -11.164 1.00 12.74 C ATOM 366 CE1 HIS A 56 9.541 11.709 -13.041 1.00 14.28 C ATOM 367 NE2 HIS A 56 8.339 11.738 -12.500 1.00 13.85 N ATOM 368 H HIS A 56 10.455 8.261 -8.581 1.00 0.00 H ATOM 369 N TYR A 57 13.730 10.534 -9.488 1.00 10.31 N ATOM 370 CA TYR A 57 14.889 10.882 -8.677 1.00 10.18 C ATOM 371 C TYR A 57 15.524 12.193 -9.090 1.00 10.16 C ATOM 372 O TYR A 57 15.379 12.659 -10.241 1.00 10.14 O ATOM 373 CB TYR A 57 15.954 9.791 -8.768 1.00 9.58 C ATOM 374 CG TYR A 57 16.611 9.680 -10.108 1.00 9.59 C ATOM 375 CD1 TYR A 57 17.803 10.311 -10.363 1.00 10.75 C ATOM 376 CD2 TYR A 57 16.027 8.998 -11.157 1.00 9.69 C ATOM 377 CE1 TYR A 57 18.411 10.248 -11.612 1.00 10.59 C ATOM 378 CE2 TYR A 57 16.634 8.895 -12.394 1.00 10.10 C ATOM 379 CZ TYR A 57 17.851 9.512 -12.631 1.00 10.43 C ATOM 380 OH TYR A 57 18.400 9.422 -13.865 1.00 11.43 O ATOM 381 HH TYR A 57 19.262 9.909 -13.878 1.00 0.00 H ATOM 382 H TYR A 57 13.720 10.767 -10.502 1.00 0.00 H ATOM 383 N LYS A 58 16.285 12.758 -8.161 1.00 10.75 N ATOM 384 CA LYS A 58 17.213 13.845 -8.434 1.00 12.63 C ATOM 385 C LYS A 58 18.526 13.480 -7.736 1.00 11.58 C ATOM 386 O LYS A 58 18.525 13.103 -6.593 1.00 13.07 O ATOM 387 CB LYS A 58 16.678 15.166 -7.922 1.00 14.88 C ATOM 388 CG LYS A 58 17.572 16.392 -8.060 1.00 18.48 C ATOM 389 CD LYS A 58 16.862 17.608 -7.479 1.00 22.48 C ATOM 390 CE LYS A 58 17.426 18.920 -7.961 1.00 25.06 C ATOM 391 NZ LYS A 58 16.663 20.020 -7.296 1.00 27.20 N ATOM 392 HZ1 LYS A 58 15.657 19.945 -7.550 1.00 0.00 H ATOM 393 HZ2 LYS A 58 16.769 19.939 -6.265 1.00 0.00 H ATOM 394 HZ3 LYS A 58 17.034 20.938 -7.613 1.00 0.00 H ATOM 395 H LYS A 58 16.214 12.405 -7.185 1.00 0.00 H ATOM 396 N GLY A 59 19.613 13.573 -8.488 1.00 10.57 N ATOM 397 CA GLY A 59 20.937 13.255 -7.974 1.00 10.60 C ATOM 398 C GLY A 59 21.820 14.500 -7.931 1.00 11.35 C ATOM 399 O GLY A 59 21.827 15.280 -8.882 1.00 11.55 O ATOM 400 H GLY A 59 19.517 13.883 -9.476 1.00 0.00 H ATOM 401 N LYS A 60 22.556 14.654 -6.832 1.00 11.58 N ATOM 402 CA LYS A 60 23.457 15.773 -6.614 1.00 12.95 C ATOM 403 C LYS A 60 24.793 15.269 -6.144 1.00 12.07 C ATOM 404 O LYS A 60 24.907 14.218 -5.517 1.00 11.40 O ATOM 405 CB LYS A 60 22.889 16.772 -5.578 1.00 15.30 C ATOM 406 CG LYS A 60 21.589 17.431 -6.002 1.00 19.33 C ATOM 407 CD LYS A 60 21.117 18.400 -4.918 1.00 22.09 C ATOM 408 CE LYS A 60 19.797 19.045 -5.323 1.00 23.33 C ATOM 409 NZ LYS A 60 19.177 19.785 -4.190 1.00 26.45 N ATOM 410 HZ1 LYS A 60 18.994 19.126 -3.406 1.00 0.00 H ATOM 411 HZ2 LYS A 60 19.824 20.534 -3.871 1.00 0.00 H ATOM 412 HZ3 LYS A 60 18.281 20.210 -4.504 1.00 0.00 H ATOM 413 H LYS A 60 22.482 13.932 -6.087 1.00 0.00 H ATOM 414 N LEU A 61 25.799 16.058 -6.466 1.00 11.49 N ATOM 415 CA LEU A 61 27.173 15.830 -5.975 1.00 11.45 C ATOM 416 C LEU A 61 27.362 16.541 -4.625 1.00 12.52 C ATOM 417 O LEU A 61 26.519 17.291 -4.178 1.00 12.09 O ATOM 418 CB LEU A 61 28.208 16.347 -7.000 1.00 12.44 C ATOM 419 CG LEU A 61 28.098 15.732 -8.404 1.00 12.89 C ATOM 420 CD1 LEU A 61 29.170 16.304 -9.305 1.00 14.34 C ATOM 421 CD2 LEU A 61 28.216 14.220 -8.378 1.00 13.84 C ATOM 422 H LEU A 61 25.618 16.871 -7.089 1.00 0.00 H ATOM 423 N SER A 62 28.503 16.296 -3.980 1.00 12.45 N ATOM 424 CA SER A 62 28.784 16.902 -2.690 1.00 14.20 C ATOM 425 C SER A 62 28.959 18.405 -2.745 1.00 15.00 C ATOM 426 O SER A 62 28.820 19.049 -1.714 1.00 15.04 O ATOM 427 CB SER A 62 30.004 16.282 -2.022 1.00 14.92 C ATOM 428 OG SER A 62 31.133 16.581 -2.778 1.00 16.44 O ATOM 429 HG SER A 62 31.026 16.211 -3.690 1.00 0.00 H ATOM 430 H SER A 62 29.205 15.659 -4.408 1.00 0.00 H ATOM 431 N ASN A 63 29.190 18.959 -3.945 1.00 14.84 N ATOM 432 CA ASN A 63 29.224 20.409 -4.144 1.00 16.33 C ATOM 433 C ASN A 63 27.832 21.000 -4.381 1.00 17.37 C ATOM 434 O ASN A 63 27.687 22.223 -4.646 1.00 17.82 O ATOM 435 CB ASN A 63 30.195 20.756 -5.278 1.00 17.10 C ATOM 436 CG ASN A 63 29.764 20.204 -6.621 1.00 18.51 C ATOM 437 OD1 ASN A 63 28.622 19.815 -6.797 1.00 20.06 O ATOM 438 ND2 ASN A 63 30.699 20.177 -7.584 1.00 20.72 N ATOM 439 HD22 ASN A 63 31.660 20.520 -7.385 1.00 0.00 H ATOM 440 HD21 ASN A 63 30.462 19.813 -8.529 1.00 0.00 H ATOM 441 H ASN A 63 29.351 18.336 -4.762 1.00 0.00 H ATOM 442 N GLY A 64 26.796 20.157 -4.250 1.00 16.88 N ATOM 443 CA GLY A 64 25.415 20.573 -4.467 1.00 18.85 C ATOM 444 C GLY A 64 24.906 20.615 -5.897 1.00 18.82 C ATOM 445 O GLY A 64 23.722 20.827 -6.090 1.00 20.70 O ATOM 446 H GLY A 64 26.985 19.170 -3.984 1.00 0.00 H ATOM 447 N LYS A 65 25.779 20.394 -6.886 1.00 18.84 N ATOM 448 CA LYS A 65 25.408 20.423 -8.292 1.00 18.20 C ATOM 449 C LYS A 65 24.500 19.229 -8.595 1.00 16.57 C ATOM 450 O LYS A 65 24.853 18.073 -8.299 1.00 16.43 O ATOM 451 CB LYS A 65 26.650 20.327 -9.187 1.00 18.66 C ATOM 452 H LYS A 65 26.769 20.192 -6.638 1.00 0.00 H ATOM 453 N LYS A 66 23.339 19.503 -9.183 1.00 15.85 N ATOM 454 CA LYS A 66 22.500 18.451 -9.769 1.00 15.27 C ATOM 455 C LYS A 66 23.238 17.828 -10.961 1.00 15.65 C ATOM 456 O LYS A 66 23.626 18.543 -11.872 1.00 18.18 O ATOM 457 CB LYS A 66 21.176 19.050 -10.233 1.00 16.98 C ATOM 458 CG LYS A 66 20.255 18.052 -10.937 1.00 18.58 C ATOM 459 CD LYS A 66 19.041 18.720 -11.593 1.00 21.24 C ATOM 460 CE LYS A 66 19.458 19.544 -12.794 1.00 24.50 C ATOM 461 NZ LYS A 66 18.330 20.304 -13.406 1.00 26.23 N ATOM 462 HZ1 LYS A 66 17.596 19.638 -13.721 1.00 0.00 H ATOM 463 HZ2 LYS A 66 17.930 20.956 -12.701 1.00 0.00 H ATOM 464 HZ3 LYS A 66 18.681 20.846 -14.221 1.00 0.00 H ATOM 465 H LYS A 66 23.017 20.491 -9.229 1.00 0.00 H ATOM 466 N PHE A 67 23.458 16.509 -10.952 1.00 13.80 N ATOM 467 CA PHE A 67 24.046 15.847 -12.112 1.00 14.09 C ATOM 468 C PHE A 67 22.975 15.202 -13.024 1.00 13.29 C ATOM 469 O PHE A 67 23.247 14.951 -14.190 1.00 15.30 O ATOM 470 CB PHE A 67 25.136 14.823 -11.752 1.00 13.65 C ATOM 471 CG PHE A 67 24.687 13.719 -10.827 1.00 12.95 C ATOM 472 CD1 PHE A 67 24.105 12.563 -11.327 1.00 12.34 C ATOM 473 CD2 PHE A 67 24.895 13.813 -9.461 1.00 12.94 C ATOM 474 CE1 PHE A 67 23.735 11.560 -10.487 1.00 12.24 C ATOM 475 CE2 PHE A 67 24.485 12.807 -8.607 1.00 12.55 C ATOM 476 CZ PHE A 67 23.905 11.672 -9.131 1.00 12.55 C ATOM 477 H PHE A 67 23.208 15.950 -10.111 1.00 0.00 H ATOM 478 N ASP A 68 21.812 14.857 -12.476 1.00 13.13 N ATOM 479 CA ASP A 68 20.750 14.228 -13.271 1.00 13.14 C ATOM 480 C ASP A 68 19.446 14.211 -12.504 1.00 13.18 C ATOM 481 O ASP A 68 19.441 14.223 -11.292 1.00 12.14 O ATOM 482 CB ASP A 68 21.103 12.793 -13.615 1.00 14.20 C ATOM 483 CG ASP A 68 20.327 12.243 -14.784 1.00 15.82 C ATOM 484 OD1 ASP A 68 19.988 13.047 -15.684 1.00 19.36 O ATOM 485 OD2 ASP A 68 20.203 11.007 -14.846 1.00 16.95 O ATOM 486 H ASP A 68 21.652 15.037 -11.464 1.00 0.00 H ATOM 487 N SER A 69 18.328 14.195 -13.232 1.00 13.02 N ATOM 488 CA SER A 69 17.032 14.123 -12.597 1.00 13.18 C ATOM 489 C SER A 69 16.047 13.587 -13.615 1.00 13.15 C ATOM 490 O SER A 69 15.940 14.140 -14.732 1.00 14.26 O ATOM 491 CB SER A 69 16.545 15.488 -12.163 1.00 14.07 C ATOM 492 OG SER A 69 15.219 15.350 -11.645 1.00 15.91 O ATOM 493 HG SER A 69 14.885 16.236 -11.356 1.00 0.00 H ATOM 494 H SER A 69 18.390 14.235 -14.269 1.00 0.00 H ATOM 495 N SER A 70 15.315 12.547 -13.226 1.00 11.32 N ATOM 496 CA SER A 70 14.195 12.097 -14.056 1.00 12.19 C ATOM 497 C SER A 70 13.113 13.166 -14.189 1.00 13.47 C ATOM 498 O SER A 70 12.424 13.200 -15.215 1.00 12.69 O ATOM 499 CB SER A 70 13.658 10.807 -13.502 1.00 12.41 C ATOM 500 OG SER A 70 13.070 11.010 -12.254 1.00 13.34 O ATOM 501 HG SER A 70 12.324 11.655 -12.343 1.00 0.00 H ATOM 502 H SER A 70 15.537 12.056 -12.337 1.00 0.00 H ATOM 503 N HIS A 71 12.936 14.011 -13.172 1.00 13.61 N ATOM 504 CA HIS A 71 11.903 15.075 -13.219 1.00 15.57 C ATOM 505 C HIS A 71 12.129 15.981 -14.394 1.00 16.70 C ATOM 506 O HIS A 71 11.178 16.526 -14.958 1.00 15.91 O ATOM 507 CB HIS A 71 11.885 15.943 -11.985 1.00 15.50 C ATOM 508 CG HIS A 71 11.685 15.202 -10.698 1.00 15.98 C ATOM 509 ND1 HIS A 71 10.445 14.803 -10.233 1.00 15.65 N ATOM 510 CD2 HIS A 71 12.580 14.793 -9.777 1.00 17.72 C ATOM 511 CE1 HIS A 71 10.583 14.222 -9.064 1.00 16.47 C ATOM 512 NE2 HIS A 71 11.873 14.194 -8.766 1.00 18.06 N ATOM 513 H HIS A 71 13.536 13.922 -12.327 1.00 0.00 H ATOM 514 N ASP A 72 13.387 16.156 -14.763 1.00 16.84 N ATOM 515 CA ASP A 72 13.782 17.002 -15.884 1.00 19.53 C ATOM 516 C ASP A 72 13.405 16.405 -17.248 1.00 17.90 C ATOM 517 O ASP A 72 13.451 17.124 -18.254 1.00 20.62 O ATOM 518 CB ASP A 72 15.306 17.232 -15.867 1.00 21.28 C ATOM 519 CG ASP A 72 15.768 18.151 -14.735 1.00 23.64 C ATOM 520 OD1 ASP A 72 14.967 18.885 -14.106 1.00 23.21 O ATOM 521 OD2 ASP A 72 16.982 18.128 -14.493 1.00 25.64 O ATOM 522 H ASP A 72 14.132 15.666 -14.227 1.00 0.00 H ATOM 523 N ARG A 73 13.095 15.102 -17.293 1.00 16.43 N ATOM 524 CA ARG A 73 12.665 14.403 -18.516 1.00 15.95 C ATOM 525 C ARG A 73 11.143 14.213 -18.515 1.00 14.13 C ATOM 526 O ARG A 73 10.599 13.759 -19.520 1.00 13.98 O ATOM 527 CB ARG A 73 13.362 13.054 -18.658 1.00 18.39 C ATOM 528 CG ARG A 73 14.865 13.200 -18.872 1.00 19.25 C ATOM 529 CD ARG A 73 15.568 11.890 -19.057 1.00 21.13 C ATOM 530 NE ARG A 73 15.623 11.117 -17.812 1.00 21.56 N ATOM 531 CZ ARG A 73 16.646 11.072 -16.963 1.00 23.52 C ATOM 532 NH1 ARG A 73 17.702 11.815 -17.163 1.00 24.29 N ATOM 533 NH2 ARG A 73 16.569 10.293 -15.896 1.00 24.75 N ATOM 534 HE ARG A 73 14.784 10.551 -17.570 1.00 0.00 H ATOM 535 HH12 ARG A 73 18.499 11.776 -16.496 1.00 0.00 H ATOM 536 HH11 ARG A 73 17.745 12.445 -17.989 1.00 0.00 H ATOM 537 HH22 ARG A 73 17.363 10.250 -15.225 1.00 0.00 H ATOM 538 HH21 ARG A 73 15.715 9.724 -15.728 1.00 0.00 H ATOM 539 H ARG A 73 13.162 14.552 -16.413 1.00 0.00 H ATOM 540 N ASN A 74 10.492 14.516 -17.398 1.00 13.32 N ATOM 541 CA ASN A 74 9.024 14.415 -17.306 1.00 14.48 C ATOM 542 C ASN A 74 8.489 13.001 -17.555 1.00 14.77 C ATOM 543 O ASN A 74 7.383 12.817 -18.072 1.00 14.85 O ATOM 544 CB ASN A 74 8.399 15.446 -18.248 1.00 14.94 C ATOM 545 CG ASN A 74 8.831 16.861 -17.913 1.00 15.40 C ATOM 546 OD1 ASN A 74 9.466 17.562 -18.715 1.00 18.17 O ATOM 547 ND2 ASN A 74 8.558 17.248 -16.708 1.00 14.99 N ATOM 548 HD22 ASN A 74 8.022 16.625 -16.071 1.00 0.00 H ATOM 549 HD21 ASN A 74 8.875 18.182 -16.377 1.00 0.00 H ATOM 550 H ASN A 74 11.031 14.833 -16.567 1.00 0.00 H ATOM 551 N GLU A 75 9.298 12.020 -17.220 1.00 15.64 N ATOM 552 CA GLU A 75 8.881 10.620 -17.216 1.00 15.79 C ATOM 553 C GLU A 75 9.740 9.826 -16.219 1.00 15.36 C ATOM 554 O GLU A 75 10.910 10.207 -15.895 1.00 14.26 O ATOM 555 CB GLU A 75 8.946 10.019 -18.614 1.00 18.05 C ATOM 556 CG GLU A 75 10.261 10.182 -19.324 1.00 18.88 C ATOM 557 CD GLU A 75 10.287 9.570 -20.731 1.00 21.33 C ATOM 558 OE1 GLU A 75 11.124 8.681 -20.985 1.00 23.71 O ATOM 559 OE2 GLU A 75 9.531 9.985 -21.618 1.00 22.09 O ATOM 560 H GLU A 75 10.275 12.250 -16.947 1.00 0.00 H ATOM 561 N PRO A 76 9.174 8.757 -15.689 1.00 14.31 N ATOM 562 CA PRO A 76 9.873 8.018 -14.637 1.00 13.90 C ATOM 563 C PRO A 76 11.048 7.246 -15.190 1.00 13.12 C ATOM 564 O PRO A 76 11.132 6.953 -16.388 1.00 13.86 O ATOM 565 CB PRO A 76 8.809 7.037 -14.108 1.00 15.09 C ATOM 566 CG PRO A 76 7.895 6.851 -15.269 1.00 15.37 C ATOM 567 CD PRO A 76 7.832 8.209 -15.945 1.00 14.30 C ATOM 568 N PHE A 77 11.950 6.918 -14.279 1.00 11.51 N ATOM 569 CA PHE A 77 12.973 5.968 -14.562 1.00 11.70 C ATOM 570 C PHE A 77 12.510 4.584 -14.147 1.00 11.50 C ATOM 571 O PHE A 77 11.991 4.399 -13.039 1.00 10.83 O ATOM 572 CB PHE A 77 14.230 6.376 -13.801 1.00 11.64 C ATOM 573 CG PHE A 77 15.386 5.423 -13.949 1.00 12.57 C ATOM 574 CD1 PHE A 77 16.105 5.376 -15.127 1.00 13.87 C ATOM 575 CD2 PHE A 77 15.756 4.594 -12.920 1.00 12.87 C ATOM 576 CE1 PHE A 77 17.176 4.513 -15.250 1.00 14.16 C ATOM 577 CE2 PHE A 77 16.789 3.683 -13.074 1.00 13.23 C ATOM 578 CZ PHE A 77 17.504 3.660 -14.234 1.00 12.94 C ATOM 579 H PHE A 77 11.911 7.362 -13.339 1.00 0.00 H ATOM 580 N VAL A 78 12.752 3.629 -15.029 1.00 12.24 N ATOM 581 CA VAL A 78 12.208 2.307 -14.884 1.00 13.31 C ATOM 582 C VAL A 78 13.356 1.301 -14.948 1.00 12.38 C ATOM 583 O VAL A 78 14.211 1.345 -15.883 1.00 12.98 O ATOM 584 CB VAL A 78 11.163 1.997 -15.982 1.00 14.85 C ATOM 585 CG1 VAL A 78 10.544 0.617 -15.778 1.00 16.62 C ATOM 586 CG2 VAL A 78 10.096 3.080 -16.019 1.00 16.42 C ATOM 587 H VAL A 78 13.353 3.841 -15.851 1.00 0.00 H ATOM 588 N PHE A 79 13.382 0.378 -14.011 1.00 12.39 N ATOM 589 CA PHE A 79 14.408 -0.675 -14.026 1.00 12.36 C ATOM 590 C PHE A 79 13.943 -1.921 -13.313 1.00 13.71 C ATOM 591 O PHE A 79 12.964 -1.871 -12.554 1.00 14.34 O ATOM 592 CB PHE A 79 15.738 -0.160 -13.434 1.00 12.59 C ATOM 593 CG PHE A 79 15.758 -0.035 -11.920 1.00 11.93 C ATOM 594 CD1 PHE A 79 16.366 -0.996 -11.099 1.00 12.13 C ATOM 595 CD2 PHE A 79 15.213 1.069 -11.308 1.00 12.84 C ATOM 596 CE1 PHE A 79 16.411 -0.867 -9.725 1.00 12.47 C ATOM 597 CE2 PHE A 79 15.246 1.195 -9.943 1.00 13.57 C ATOM 598 CZ PHE A 79 15.874 0.245 -9.146 1.00 12.42 C ATOM 599 H PHE A 79 12.670 0.393 -13.253 1.00 0.00 H ATOM 600 N SER A 80 14.592 -3.061 -13.582 1.00 13.74 N ATOM 601 CA SER A 80 14.262 -4.294 -12.845 1.00 14.27 C ATOM 602 C SER A 80 15.085 -4.419 -11.580 1.00 13.93 C ATOM 603 O SER A 80 16.316 -4.470 -11.628 1.00 13.30 O ATOM 604 CB SER A 80 14.415 -5.566 -13.702 1.00 16.10 C ATOM 605 OG SER A 80 13.629 -5.462 -14.868 1.00 20.26 O ATOM 606 HG SER A 80 12.678 -5.352 -14.615 1.00 0.00 H ATOM 607 H SER A 80 15.331 -3.076 -14.313 1.00 0.00 H ATOM 608 N LEU A 81 14.417 -4.512 -10.434 1.00 13.26 N ATOM 609 CA LEU A 81 15.113 -4.505 -9.152 1.00 12.86 C ATOM 610 C LEU A 81 15.983 -5.718 -8.921 1.00 13.68 C ATOM 611 O LEU A 81 15.552 -6.839 -9.160 1.00 14.26 O ATOM 612 CB LEU A 81 14.099 -4.408 -8.011 1.00 13.01 C ATOM 613 CG LEU A 81 14.653 -4.350 -6.603 1.00 13.24 C ATOM 614 CD1 LEU A 81 15.550 -3.125 -6.429 1.00 12.81 C ATOM 615 CD2 LEU A 81 13.489 -4.395 -5.614 1.00 13.79 C ATOM 616 H LEU A 81 13.380 -4.591 -10.452 1.00 0.00 H ATOM 617 N GLY A 82 17.211 -5.486 -8.459 1.00 13.71 N ATOM 618 CA GLY A 82 18.039 -6.577 -7.971 1.00 15.15 C ATOM 619 C GLY A 82 18.706 -7.340 -9.097 1.00 15.87 C ATOM 620 O GLY A 82 19.086 -8.485 -8.933 1.00 20.62 O ATOM 621 H GLY A 82 17.581 -4.514 -8.447 1.00 0.00 H ATOM 622 N LYS A 83 18.827 -6.712 -10.253 1.00 15.63 N ATOM 623 CA LYS A 83 19.381 -7.360 -11.439 1.00 15.38 C ATOM 624 C LYS A 83 20.665 -6.698 -11.923 1.00 15.40 C ATOM 625 O LYS A 83 21.165 -7.029 -13.001 1.00 16.20 O ATOM 626 CB LYS A 83 18.363 -7.361 -12.560 1.00 16.02 C ATOM 627 CG LYS A 83 17.087 -8.110 -12.219 1.00 17.69 C ATOM 628 CD LYS A 83 17.376 -9.575 -11.958 1.00 19.83 C ATOM 629 CE LYS A 83 16.119 -10.341 -11.613 1.00 21.91 C ATOM 630 NZ LYS A 83 16.494 -11.773 -11.501 1.00 22.23 N ATOM 631 HZ1 LYS A 83 16.885 -12.100 -12.408 1.00 0.00 H ATOM 632 HZ2 LYS A 83 17.208 -11.886 -10.754 1.00 0.00 H ATOM 633 HZ3 LYS A 83 15.651 -12.333 -11.264 1.00 0.00 H ATOM 634 H LYS A 83 18.517 -5.722 -10.321 1.00 0.00 H ATOM 635 N GLY A 84 21.216 -5.769 -11.141 1.00 14.30 N ATOM 636 CA GLY A 84 22.472 -5.110 -11.520 1.00 13.73 C ATOM 637 C GLY A 84 22.363 -4.186 -12.713 1.00 13.08 C ATOM 638 O GLY A 84 23.303 -3.960 -13.472 1.00 13.41 O ATOM 639 H GLY A 84 20.749 -5.507 -10.249 1.00 0.00 H ATOM 640 N GLN A 85 21.167 -3.650 -12.886 1.00 11.93 N ATOM 641 CA GLN A 85 20.887 -2.656 -13.921 1.00 11.26 C ATOM 642 C GLN A 85 21.247 -1.244 -13.482 1.00 11.02 C ATOM 643 O GLN A 85 21.238 -0.321 -14.307 1.00 11.01 O ATOM 644 CB GLN A 85 19.409 -2.715 -14.347 1.00 12.13 C ATOM 645 CG GLN A 85 19.069 -3.986 -15.123 1.00 13.20 C ATOM 646 CD GLN A 85 17.618 -4.063 -15.535 1.00 14.74 C ATOM 647 OE1 GLN A 85 16.834 -3.155 -15.313 1.00 14.62 O ATOM 648 NE2 GLN A 85 17.264 -5.186 -16.165 1.00 16.34 N ATOM 649 HE22 GLN A 85 17.968 -5.933 -16.332 1.00 0.00 H ATOM 650 HE21 GLN A 85 16.284 -5.314 -16.489 1.00 0.00 H ATOM 651 H GLN A 85 20.392 -3.948 -12.259 1.00 0.00 H ATOM 652 N VAL A 86 21.562 -1.100 -12.184 1.00 10.80 N ATOM 653 CA VAL A 86 21.847 0.188 -11.594 1.00 10.36 C ATOM 654 C VAL A 86 22.958 0.000 -10.591 1.00 9.64 C ATOM 655 O VAL A 86 23.307 -1.129 -10.231 1.00 10.23 O ATOM 656 CB VAL A 86 20.594 0.778 -10.892 1.00 10.76 C ATOM 657 CG1 VAL A 86 19.505 1.222 -11.890 1.00 11.97 C ATOM 658 CG2 VAL A 86 20.047 -0.186 -9.849 1.00 10.75 C ATOM 659 H VAL A 86 21.602 -1.947 -11.582 1.00 0.00 H ATOM 660 N ILE A 87 23.517 1.115 -10.154 1.00 9.24 N ATOM 661 CA ILE A 87 24.545 1.044 -9.123 1.00 9.51 C ATOM 662 C ILE A 87 24.084 0.298 -7.888 1.00 9.76 C ATOM 663 O ILE A 87 22.911 0.202 -7.558 1.00 9.25 O ATOM 664 CB ILE A 87 25.037 2.467 -8.718 1.00 9.34 C ATOM 665 CG1 ILE A 87 23.878 3.327 -8.148 1.00 9.32 C ATOM 666 CG2 ILE A 87 25.761 3.093 -9.878 1.00 10.60 C ATOM 667 CD1 ILE A 87 24.313 4.653 -7.574 1.00 9.87 C ATOM 668 H ILE A 87 23.226 2.035 -10.542 1.00 0.00 H ATOM 669 N LYS A 88 25.011 -0.260 -7.134 1.00 10.04 N ATOM 670 CA LYS A 88 24.669 -1.076 -6.011 1.00 11.76 C ATOM 671 C LYS A 88 23.803 -0.350 -5.007 1.00 10.28 C ATOM 672 O LYS A 88 22.869 -0.948 -4.466 1.00 10.44 O ATOM 673 CB LYS A 88 25.933 -1.661 -5.346 1.00 14.56 C ATOM 674 CG LYS A 88 25.642 -2.851 -4.428 1.00 18.77 C ATOM 675 CD LYS A 88 24.991 -4.074 -5.082 1.00 24.41 C ATOM 676 CE LYS A 88 25.307 -5.342 -4.278 1.00 28.17 C ATOM 677 NZ LYS A 88 24.580 -6.521 -4.827 1.00 31.41 N ATOM 678 HZ1 LYS A 88 23.556 -6.346 -4.784 1.00 0.00 H ATOM 679 HZ2 LYS A 88 24.866 -6.673 -5.815 1.00 0.00 H ATOM 680 HZ3 LYS A 88 24.813 -7.364 -4.264 1.00 0.00 H ATOM 681 H LYS A 88 26.014 -0.103 -7.361 1.00 0.00 H ATOM 682 N ALA A 89 24.103 0.936 -4.758 1.00 10.95 N ATOM 683 CA ALA A 89 23.337 1.681 -3.747 1.00 10.67 C ATOM 684 C ALA A 89 21.834 1.706 -4.047 1.00 9.82 C ATOM 685 O ALA A 89 21.010 1.740 -3.128 1.00 10.80 O ATOM 686 CB ALA A 89 23.825 3.101 -3.581 1.00 10.70 C ATOM 687 H ALA A 89 24.873 1.403 -5.278 1.00 0.00 H ATOM 688 N TRP A 90 21.488 1.748 -5.332 1.00 10.21 N ATOM 689 CA TRP A 90 20.092 1.703 -5.775 1.00 9.41 C ATOM 690 C TRP A 90 19.435 0.344 -5.626 1.00 10.57 C ATOM 691 O TRP A 90 18.307 0.291 -5.164 1.00 9.84 O ATOM 692 CB TRP A 90 19.970 2.175 -7.216 1.00 9.52 C ATOM 693 CG TRP A 90 19.787 3.663 -7.375 1.00 9.08 C ATOM 694 CD1 TRP A 90 20.590 4.679 -6.903 1.00 8.23 C ATOM 695 CD2 TRP A 90 18.752 4.298 -8.108 1.00 8.81 C ATOM 696 NE1 TRP A 90 20.077 5.895 -7.277 1.00 8.74 N ATOM 697 CE2 TRP A 90 18.956 5.674 -8.032 1.00 8.44 C ATOM 698 CE3 TRP A 90 17.659 3.822 -8.834 1.00 9.02 C ATOM 699 CZ2 TRP A 90 18.100 6.588 -8.645 1.00 8.96 C ATOM 700 CZ3 TRP A 90 16.827 4.714 -9.446 1.00 9.10 C ATOM 701 CH2 TRP A 90 17.047 6.072 -9.358 1.00 9.06 C ATOM 702 HE1 TRP A 90 20.472 6.825 -7.030 1.00 0.00 H ATOM 703 H TRP A 90 22.238 1.815 -6.049 1.00 0.00 H ATOM 704 N ASP A 91 20.075 -0.745 -6.024 1.00 10.75 N ATOM 705 CA ASP A 91 19.513 -2.073 -5.794 1.00 11.73 C ATOM 706 C ASP A 91 19.285 -2.288 -4.283 1.00 12.23 C ATOM 707 O ASP A 91 18.262 -2.846 -3.874 1.00 14.21 O ATOM 708 CB ASP A 91 20.406 -3.168 -6.394 1.00 12.52 C ATOM 709 CG ASP A 91 20.005 -3.541 -7.833 1.00 12.57 C ATOM 710 OD1 ASP A 91 18.900 -3.177 -8.328 1.00 10.55 O ATOM 711 OD2 ASP A 91 20.813 -4.199 -8.515 1.00 12.13 O ATOM 712 H ASP A 91 20.991 -0.653 -6.507 1.00 0.00 H ATOM 713 N ILE A 92 20.207 -1.802 -3.440 1.00 11.24 N ATOM 714 CA ILE A 92 19.992 -1.850 -1.987 1.00 12.45 C ATOM 715 C ILE A 92 18.883 -0.930 -1.509 1.00 11.62 C ATOM 716 O ILE A 92 18.004 -1.361 -0.733 1.00 11.47 O ATOM 717 CB ILE A 92 21.296 -1.499 -1.233 1.00 14.34 C ATOM 718 CG1 ILE A 92 22.347 -2.583 -1.507 1.00 15.69 C ATOM 719 CG2 ILE A 92 21.036 -1.354 0.278 1.00 15.39 C ATOM 720 CD1 ILE A 92 23.775 -2.128 -1.267 1.00 16.20 C ATOM 721 H ILE A 92 21.083 -1.387 -3.818 1.00 0.00 H ATOM 722 N GLY A 93 18.915 0.330 -1.942 1.00 11.27 N ATOM 723 CA GLY A 93 18.045 1.379 -1.386 1.00 11.34 C ATOM 724 C GLY A 93 16.608 1.255 -1.828 1.00 10.67 C ATOM 725 O GLY A 93 15.673 1.291 -1.000 1.00 10.97 O ATOM 726 H GLY A 93 19.580 0.582 -2.701 1.00 0.00 H ATOM 727 N VAL A 94 16.410 1.014 -3.110 1.00 10.54 N ATOM 728 CA VAL A 94 15.050 0.927 -3.631 1.00 10.73 C ATOM 729 C VAL A 94 14.325 -0.285 -3.068 1.00 10.68 C ATOM 730 O VAL A 94 13.082 -0.241 -2.824 1.00 10.94 O ATOM 731 CB VAL A 94 14.992 1.029 -5.160 1.00 10.82 C ATOM 732 CG1 VAL A 94 13.556 0.820 -5.665 1.00 11.35 C ATOM 733 CG2 VAL A 94 15.582 2.364 -5.594 1.00 11.46 C ATOM 734 H VAL A 94 17.222 0.886 -3.748 1.00 0.00 H ATOM 735 N ALA A 95 15.089 -1.337 -2.762 1.00 11.77 N ATOM 736 CA ALA A 95 14.503 -2.541 -2.191 1.00 11.73 C ATOM 737 C ALA A 95 13.925 -2.323 -0.819 1.00 11.73 C ATOM 738 O ALA A 95 13.169 -3.177 -0.353 1.00 13.38 O ATOM 739 CB ALA A 95 15.523 -3.653 -2.122 1.00 12.33 C ATOM 740 H ALA A 95 16.114 -1.295 -2.934 1.00 0.00 H ATOM 741 N THR A 96 14.292 -1.224 -0.161 1.00 11.34 N ATOM 742 CA THR A 96 13.753 -0.903 1.190 1.00 11.56 C ATOM 743 C THR A 96 12.509 -0.020 1.170 1.00 11.72 C ATOM 744 O THR A 96 11.898 0.229 2.232 1.00 10.97 O ATOM 745 CB THR A 96 14.798 -0.165 2.071 1.00 11.34 C ATOM 746 OG1 THR A 96 15.013 1.162 1.580 1.00 12.45 O ATOM 747 CG2 THR A 96 16.104 -0.886 2.169 1.00 12.23 C ATOM 748 HG1 THR A 96 15.347 1.118 0.649 1.00 0.00 H ATOM 749 H THR A 96 14.973 -0.573 -0.602 1.00 0.00 H ATOM 750 N MET A 97 12.135 0.472 -0.015 1.00 11.63 N ATOM 751 CA MET A 97 11.103 1.492 -0.155 1.00 11.77 C ATOM 752 C MET A 97 9.722 0.887 -0.335 1.00 11.82 C ATOM 753 O MET A 97 9.576 -0.209 -0.855 1.00 10.72 O ATOM 754 CB MET A 97 11.427 2.433 -1.336 1.00 11.29 C ATOM 755 CG MET A 97 12.750 3.155 -1.137 1.00 11.57 C ATOM 756 SD MET A 97 12.973 4.329 -2.484 1.00 11.72 S ATOM 757 CE MET A 97 11.825 5.661 -2.042 1.00 11.69 C ATOM 758 H MET A 97 12.600 0.112 -0.873 1.00 0.00 H TER 759 MET A 97 ATOM 760 N LYS A 99 5.628 1.893 -1.855 1.00 13.43 N ATOM 761 CA LYS A 99 4.956 2.794 -2.805 1.00 13.57 C ATOM 762 C LYS A 99 4.521 4.092 -2.125 1.00 13.15 C ATOM 763 O LYS A 99 3.870 4.063 -1.053 1.00 12.91 O ATOM 764 CB LYS A 99 3.750 2.117 -3.436 1.00 14.84 C ATOM 765 CG LYS A 99 3.121 2.871 -4.595 1.00 16.64 C ATOM 766 CD LYS A 99 2.058 1.997 -5.278 1.00 19.63 C ATOM 767 CE LYS A 99 1.316 2.804 -6.328 1.00 22.23 C ATOM 768 NZ LYS A 99 0.055 2.151 -6.807 1.00 25.35 N ATOM 769 HZ1 LYS A 99 0.283 1.228 -7.228 1.00 0.00 H ATOM 770 HZ2 LYS A 99 -0.592 2.017 -6.003 1.00 0.00 H ATOM 771 HZ3 LYS A 99 -0.398 2.757 -7.521 1.00 0.00 H ATOM 772 HN3 LYS A 99 4.975 1.659 -1.080 1.00 0.00 H ATOM 773 HN2 LYS A 99 6.471 2.364 -1.469 1.00 0.00 H ATOM 774 HN1 LYS A 99 5.911 1.021 -2.347 1.00 0.00 H ATOM 775 N GLY A 100 4.868 5.218 -2.768 1.00 12.55 N ATOM 776 CA GLY A 100 4.637 6.551 -2.234 1.00 13.08 C ATOM 777 C GLY A 100 5.727 7.160 -1.387 1.00 12.70 C ATOM 778 O GLY A 100 5.699 8.349 -1.059 1.00 14.25 O ATOM 779 H GLY A 100 5.326 5.133 -3.698 1.00 0.00 H ATOM 780 N GLU A 101 6.699 6.349 -1.022 1.00 11.56 N ATOM 781 CA GLU A 101 7.787 6.821 -0.200 1.00 11.35 C ATOM 782 C GLU A 101 8.738 7.736 -0.961 1.00 11.35 C ATOM 783 O GLU A 101 9.045 7.497 -2.138 1.00 11.51 O ATOM 784 CB GLU A 101 8.562 5.624 0.328 1.00 11.44 C ATOM 785 CG GLU A 101 9.751 5.934 1.230 1.00 12.19 C ATOM 786 CD GLU A 101 10.432 4.693 1.729 1.00 13.32 C ATOM 787 OE1 GLU A 101 9.723 3.705 2.065 1.00 14.55 O ATOM 788 OE2 GLU A 101 11.689 4.712 1.844 1.00 14.30 O ATOM 789 H GLU A 101 6.682 5.356 -1.330 1.00 0.00 H ATOM 790 N ILE A 102 9.207 8.768 -0.258 1.00 11.40 N ATOM 791 CA ILE A 102 10.358 9.540 -0.723 1.00 11.76 C ATOM 792 C ILE A 102 11.458 9.416 0.306 1.00 12.45 C ATOM 793 O ILE A 102 11.250 9.580 1.500 1.00 11.70 O ATOM 794 CB ILE A 102 10.047 11.035 -0.931 1.00 12.04 C ATOM 795 CG1 ILE A 102 8.858 11.207 -1.901 1.00 12.34 C ATOM 796 CG2 ILE A 102 11.320 11.769 -1.359 1.00 12.82 C ATOM 797 CD1 ILE A 102 8.335 12.609 -2.017 1.00 13.10 C ATOM 798 H ILE A 102 8.746 9.028 0.637 1.00 0.00 H ATOM 799 N CYS A 103 12.656 9.136 -0.185 1.00 11.35 N ATOM 800 CA CYS A 103 13.803 9.062 0.690 1.00 12.80 C ATOM 801 C CYS A 103 14.985 9.784 0.096 1.00 12.97 C ATOM 802 O CYS A 103 15.038 10.104 -1.111 1.00 12.98 O ATOM 803 CB CYS A 103 14.149 7.606 1.013 1.00 13.18 C ATOM 804 SG CYS A 103 15.106 6.730 -0.255 1.00 14.07 S ATOM 805 H CYS A 103 12.771 8.969 -1.205 1.00 0.00 H ATOM 806 N HIS A 104 15.948 10.058 0.984 1.00 15.08 N ATOM 807 CA HIS A 104 17.265 10.525 0.585 1.00 16.08 C ATOM 808 C HIS A 104 18.235 9.398 0.782 1.00 15.08 C ATOM 809 O HIS A 104 18.217 8.758 1.819 1.00 14.03 O ATOM 810 CB HIS A 104 17.667 11.731 1.399 1.00 17.72 C ATOM 811 CG HIS A 104 16.896 12.969 1.024 1.00 22.57 C ATOM 812 ND1 HIS A 104 17.013 14.165 1.700 1.00 26.30 N ATOM 813 CD2 HIS A 104 16.017 13.195 0.021 1.00 25.98 C ATOM 814 CE1 HIS A 104 16.224 15.067 1.143 1.00 27.22 C ATOM 815 NE2 HIS A 104 15.610 14.503 0.119 1.00 27.25 N ATOM 816 H HIS A 104 15.746 9.932 1.996 1.00 0.00 H ATOM 817 N LEU A 105 19.080 9.159 -0.223 1.00 14.77 N ATOM 818 CA LEU A 105 20.115 8.127 -0.138 1.00 15.55 C ATOM 819 C LEU A 105 21.458 8.780 -0.333 1.00 16.13 C ATOM 820 O LEU A 105 21.682 9.428 -1.371 1.00 16.37 O ATOM 821 CB LEU A 105 19.980 7.112 -1.248 1.00 17.33 C ATOM 822 CG LEU A 105 19.048 5.936 -1.238 1.00 19.15 C ATOM 823 CD1 LEU A 105 19.487 4.984 -2.368 1.00 19.04 C ATOM 824 CD2 LEU A 105 19.041 5.245 0.132 1.00 18.97 C ATOM 825 H LEU A 105 19.001 9.723 -1.093 1.00 0.00 H ATOM 826 N LEU A 106 22.348 8.581 0.632 1.00 14.73 N ATOM 827 CA LEU A 106 23.748 8.971 0.522 1.00 14.39 C ATOM 828 C LEU A 106 24.494 7.706 0.135 1.00 13.99 C ATOM 829 O LEU A 106 24.401 6.693 0.849 1.00 14.43 O ATOM 830 CB LEU A 106 24.249 9.494 1.854 1.00 15.77 C ATOM 831 CG LEU A 106 25.721 9.928 1.956 1.00 17.93 C ATOM 832 CD1 LEU A 106 25.874 10.856 3.147 1.00 18.52 C ATOM 833 CD2 LEU A 106 26.682 8.755 2.066 1.00 18.79 C ATOM 834 H LEU A 106 22.030 8.124 1.510 1.00 0.00 H ATOM 835 N CYS A 107 25.216 7.781 -0.981 1.00 12.16 N ATOM 836 CA CYS A 107 25.784 6.615 -1.646 1.00 12.39 C ATOM 837 C CYS A 107 27.253 6.859 -1.771 1.00 11.99 C ATOM 838 O CYS A 107 27.666 7.645 -2.614 1.00 12.85 O ATOM 839 CB CYS A 107 25.188 6.443 -3.039 1.00 12.96 C ATOM 840 SG CYS A 107 23.393 6.385 -3.105 1.00 14.00 S ATOM 841 H CYS A 107 25.383 8.718 -1.399 1.00 0.00 H ATOM 842 N LYS A 108 28.049 6.196 -0.936 1.00 12.11 N ATOM 843 CA LYS A 108 29.501 6.322 -1.026 1.00 12.72 C ATOM 844 C LYS A 108 29.991 5.707 -2.346 1.00 11.14 C ATOM 845 O LYS A 108 29.336 4.871 -2.944 1.00 10.32 O ATOM 846 CB LYS A 108 30.181 5.608 0.135 1.00 14.36 C ATOM 847 CG LYS A 108 29.836 6.120 1.525 1.00 18.30 C ATOM 848 CD LYS A 108 30.376 7.494 1.810 1.00 22.35 C ATOM 849 CE LYS A 108 30.365 7.822 3.306 1.00 27.33 C ATOM 850 NZ LYS A 108 29.321 7.158 4.163 1.00 29.52 N ATOM 851 HZ1 LYS A 108 28.375 7.420 3.820 1.00 0.00 H ATOM 852 HZ2 LYS A 108 29.437 6.126 4.111 1.00 0.00 H ATOM 853 HZ3 LYS A 108 29.432 7.471 5.148 1.00 0.00 H ATOM 854 H LYS A 108 27.631 5.580 -0.210 1.00 0.00 H ATOM 855 N PRO A 109 31.202 6.070 -2.783 1.00 10.42 N ATOM 856 CA PRO A 109 31.679 5.621 -4.096 1.00 10.46 C ATOM 857 C PRO A 109 31.755 4.116 -4.301 1.00 10.39 C ATOM 858 O PRO A 109 31.609 3.645 -5.452 1.00 11.08 O ATOM 859 CB PRO A 109 33.064 6.240 -4.213 1.00 10.92 C ATOM 860 CG PRO A 109 33.165 7.277 -3.205 1.00 11.48 C ATOM 861 CD PRO A 109 32.024 7.163 -2.248 1.00 11.60 C ATOM 862 N GLU A 110 32.116 3.388 -3.247 1.00 11.24 N ATOM 863 CA GLU A 110 32.128 1.924 -3.285 1.00 13.01 C ATOM 864 C GLU A 110 30.773 1.304 -3.658 1.00 12.01 C ATOM 865 O GLU A 110 30.726 0.122 -4.057 1.00 12.57 O ATOM 866 CB GLU A 110 32.545 1.340 -1.924 1.00 15.03 C ATOM 867 CG GLU A 110 33.922 1.788 -1.425 1.00 17.44 C ATOM 868 CD GLU A 110 34.043 3.278 -1.057 1.00 19.54 C ATOM 869 OE1 GLU A 110 33.072 3.903 -0.563 1.00 16.83 O ATOM 870 OE2 GLU A 110 35.163 3.820 -1.275 1.00 22.39 O ATOM 871 H GLU A 110 32.398 3.873 -2.371 1.00 0.00 H ATOM 872 N TYR A 111 29.680 2.057 -3.480 1.00 10.92 N ATOM 873 CA TYR A 111 28.346 1.625 -3.849 1.00 11.21 C ATOM 874 C TYR A 111 27.805 2.401 -5.071 1.00 10.89 C ATOM 875 O TYR A 111 26.606 2.320 -5.383 1.00 10.14 O ATOM 876 CB TYR A 111 27.392 1.722 -2.626 1.00 10.51 C ATOM 877 CG TYR A 111 27.694 0.694 -1.553 1.00 11.32 C ATOM 878 CD1 TYR A 111 27.065 -0.531 -1.542 1.00 11.77 C ATOM 879 CD2 TYR A 111 28.656 0.938 -0.603 1.00 12.09 C ATOM 880 CE1 TYR A 111 27.392 -1.497 -0.572 1.00 12.91 C ATOM 881 CE2 TYR A 111 28.990 -0.005 0.341 1.00 12.50 C ATOM 882 CZ TYR A 111 28.344 -1.209 0.361 1.00 13.20 C ATOM 883 OH TYR A 111 28.714 -2.144 1.318 1.00 14.14 O ATOM 884 HH TYR A 111 28.571 -1.765 2.221 1.00 0.00 H ATOM 885 H TYR A 111 29.794 3.000 -3.056 1.00 0.00 H ATOM 886 N ALA A 112 28.668 3.119 -5.808 1.00 10.30 N ATOM 887 CA ALA A 112 28.308 3.962 -6.918 1.00 10.08 C ATOM 888 C ALA A 112 29.396 3.736 -7.991 1.00 10.14 C ATOM 889 O ALA A 112 29.604 2.607 -8.402 1.00 10.86 O ATOM 890 CB ALA A 112 28.175 5.380 -6.488 1.00 9.80 C ATOM 891 H ALA A 112 29.676 3.061 -5.557 1.00 0.00 H ATOM 892 N TYR A 113 30.137 4.775 -8.389 1.00 9.83 N ATOM 893 CA TYR A 113 31.022 4.729 -9.568 1.00 9.82 C ATOM 894 C TYR A 113 32.517 4.667 -9.204 1.00 9.92 C ATOM 895 O TYR A 113 33.401 4.756 -10.097 1.00 10.45 O ATOM 896 CB TYR A 113 30.749 5.902 -10.542 1.00 9.74 C ATOM 897 CG TYR A 113 29.392 5.742 -11.210 1.00 9.86 C ATOM 898 CD1 TYR A 113 29.252 4.978 -12.352 1.00 10.36 C ATOM 899 CD2 TYR A 113 28.252 6.249 -10.607 1.00 9.95 C ATOM 900 CE1 TYR A 113 28.007 4.785 -12.938 1.00 10.51 C ATOM 901 CE2 TYR A 113 27.001 6.033 -11.177 1.00 10.25 C ATOM 902 CZ TYR A 113 26.903 5.282 -12.319 1.00 11.15 C ATOM 903 OH TYR A 113 25.630 5.059 -12.856 1.00 11.85 O ATOM 904 HH TYR A 113 25.710 4.506 -13.673 1.00 0.00 H ATOM 905 H TYR A 113 30.087 5.658 -7.841 1.00 0.00 H ATOM 906 N GLY A 114 32.776 4.527 -7.917 1.00 10.57 N ATOM 907 CA GLY A 114 34.122 4.172 -7.420 1.00 10.83 C ATOM 908 C GLY A 114 35.192 5.232 -7.735 1.00 12.26 C ATOM 909 O GLY A 114 34.907 6.437 -7.825 1.00 11.69 O ATOM 910 H GLY A 114 32.008 4.671 -7.231 1.00 0.00 H ATOM 911 N SER A 115 36.441 4.784 -7.854 1.00 12.86 N ATOM 912 CA SER A 115 37.537 5.695 -8.067 1.00 14.12 C ATOM 913 C SER A 115 37.520 6.271 -9.489 1.00 13.79 C ATOM 914 O SER A 115 37.950 7.403 -9.678 1.00 14.96 O ATOM 915 CB SER A 115 38.880 5.017 -7.765 1.00 15.79 C ATOM 916 OG SER A 115 39.015 3.841 -8.500 1.00 19.75 O ATOM 917 HG SER A 115 38.282 3.219 -8.263 1.00 0.00 H ATOM 918 H SER A 115 36.628 3.763 -7.792 1.00 0.00 H ATOM 919 N ALA A 116 37.003 5.522 -10.457 1.00 13.14 N ATOM 920 CA ALA A 116 36.949 5.971 -11.846 1.00 13.16 C ATOM 921 C ALA A 116 35.943 7.115 -12.085 1.00 13.08 C ATOM 922 O ALA A 116 36.151 7.997 -12.948 1.00 14.15 O ATOM 923 CB ALA A 116 36.598 4.797 -12.765 1.00 14.26 C ATOM 924 H ALA A 116 36.624 4.584 -10.218 1.00 0.00 H ATOM 925 N GLY A 117 34.840 7.083 -11.343 1.00 12.71 N ATOM 926 CA GLY A 117 33.689 7.894 -11.671 1.00 12.78 C ATOM 927 C GLY A 117 33.068 7.507 -13.013 1.00 12.77 C ATOM 928 O GLY A 117 33.251 6.402 -13.507 1.00 12.53 O ATOM 929 H GLY A 117 34.805 6.462 -10.510 1.00 0.00 H ATOM 930 N SER A 118 32.376 8.461 -13.620 1.00 12.72 N ATOM 931 CA SER A 118 31.812 8.284 -14.947 1.00 13.47 C ATOM 932 C SER A 118 31.681 9.652 -15.607 1.00 14.85 C ATOM 933 O SER A 118 30.662 10.319 -15.504 1.00 13.98 O ATOM 934 CB SER A 118 30.455 7.597 -14.905 1.00 13.55 C ATOM 935 OG SER A 118 30.078 7.231 -16.218 1.00 13.00 O ATOM 936 HG SER A 118 30.753 6.612 -16.593 1.00 0.00 H ATOM 937 H SER A 118 32.232 9.367 -13.130 1.00 0.00 H ATOM 938 N LEU A 119 32.792 10.094 -16.176 1.00 17.14 N ATOM 939 CA LEU A 119 32.877 11.428 -16.763 1.00 20.20 C ATOM 940 C LEU A 119 31.948 11.474 -17.970 1.00 19.56 C ATOM 941 O LEU A 119 31.756 10.473 -18.644 1.00 19.60 O ATOM 942 CB LEU A 119 34.312 11.710 -17.202 1.00 24.09 C ATOM 943 CG LEU A 119 35.285 12.512 -16.339 1.00 28.63 C ATOM 944 CD1 LEU A 119 35.163 12.314 -14.846 1.00 29.09 C ATOM 945 CD2 LEU A 119 36.698 12.162 -16.804 1.00 30.82 C ATOM 946 H LEU A 119 33.627 9.474 -16.206 1.00 0.00 H ATOM 947 N PRO A 120 31.382 12.652 -18.265 1.00 19.82 N ATOM 948 CA PRO A 120 31.647 13.913 -17.647 1.00 17.07 C ATOM 949 C PRO A 120 30.853 14.211 -16.368 1.00 17.31 C ATOM 950 O PRO A 120 31.223 15.107 -15.623 1.00 18.13 O ATOM 951 CB PRO A 120 31.224 14.920 -18.725 1.00 19.13 C ATOM 952 CG PRO A 120 30.179 14.227 -19.489 1.00 19.22 C ATOM 953 CD PRO A 120 30.563 12.786 -19.484 1.00 20.72 C ATOM 954 N LYS A 121 29.772 13.485 -16.117 1.00 15.87 N ATOM 955 CA LYS A 121 28.793 13.945 -15.088 1.00 16.35 C ATOM 956 C LYS A 121 29.165 13.531 -13.656 1.00 15.60 C ATOM 957 O LYS A 121 28.793 14.211 -12.710 1.00 15.32 O ATOM 958 CB LYS A 121 27.365 13.457 -15.376 1.00 20.38 C ATOM 959 CG LYS A 121 26.698 14.009 -16.629 1.00 23.50 C ATOM 960 CD LYS A 121 26.392 15.484 -16.546 1.00 27.02 C ATOM 961 CE LYS A 121 25.166 15.857 -17.368 1.00 33.24 C ATOM 962 NZ LYS A 121 25.329 15.607 -18.818 1.00 36.11 N ATOM 963 HZ1 LYS A 121 26.128 16.167 -19.177 1.00 0.00 H ATOM 964 HZ2 LYS A 121 25.514 14.596 -18.976 1.00 0.00 H ATOM 965 HZ3 LYS A 121 24.459 15.883 -19.316 1.00 0.00 H ATOM 966 H LYS A 121 29.607 12.598 -16.635 1.00 0.00 H ATOM 967 N ILE A 122 29.846 12.405 -13.513 1.00 13.82 N ATOM 968 CA ILE A 122 30.241 11.884 -12.191 1.00 13.82 C ATOM 969 C ILE A 122 31.761 11.868 -11.979 1.00 13.28 C ATOM 970 O ILE A 122 32.477 11.106 -12.639 1.00 12.93 O ATOM 971 CB ILE A 122 29.794 10.419 -12.005 1.00 14.45 C ATOM 972 CG1 ILE A 122 28.325 10.177 -12.401 1.00 15.54 C ATOM 973 CG2 ILE A 122 30.101 9.953 -10.593 1.00 14.61 C ATOM 974 CD1 ILE A 122 27.269 10.847 -11.553 1.00 15.92 C ATOM 975 H ILE A 122 30.112 11.868 -14.363 1.00 0.00 H ATOM 976 N PRO A 123 32.254 12.707 -11.069 1.00 13.58 N ATOM 977 CA PRO A 123 33.677 12.721 -10.783 1.00 14.00 C ATOM 978 C PRO A 123 34.213 11.461 -10.095 1.00 14.22 C ATOM 979 O PRO A 123 33.446 10.612 -9.601 1.00 12.32 O ATOM 980 CB PRO A 123 33.839 13.941 -9.846 1.00 14.49 C ATOM 981 CG PRO A 123 32.612 14.728 -10.021 1.00 14.60 C ATOM 982 CD PRO A 123 31.542 13.769 -10.353 1.00 13.82 C ATOM 983 N SER A 124 35.536 11.327 -10.119 1.00 14.87 N ATOM 984 CA SER A 124 36.230 10.314 -9.359 1.00 15.69 C ATOM 985 C SER A 124 35.891 10.416 -7.866 1.00 14.86 C ATOM 986 O SER A 124 35.781 11.511 -7.329 1.00 13.13 O ATOM 987 CB SER A 124 37.752 10.470 -9.555 1.00 17.14 C ATOM 988 OG SER A 124 38.472 9.613 -8.685 1.00 20.41 O ATOM 989 HG SER A 124 38.224 8.673 -8.870 1.00 0.00 H ATOM 990 H SER A 124 36.093 11.978 -10.709 1.00 0.00 H ATOM 991 N ASN A 125 35.754 9.268 -7.214 1.00 14.28 N ATOM 992 CA ASN A 125 35.558 9.190 -5.752 1.00 14.93 C ATOM 993 C ASN A 125 34.385 9.992 -5.245 1.00 14.37 C ATOM 994 O ASN A 125 34.486 10.589 -4.184 1.00 13.94 O ATOM 995 CB ASN A 125 36.823 9.603 -4.981 1.00 17.00 C ATOM 996 CG ASN A 125 38.034 8.831 -5.440 1.00 21.07 C ATOM 997 OD1 ASN A 125 38.050 7.593 -5.351 1.00 23.12 O ATOM 998 ND2 ASN A 125 39.065 9.550 -5.931 1.00 23.66 N ATOM 999 HD22 ASN A 125 38.998 10.587 -5.983 1.00 0.00 H ATOM 1000 HD21 ASN A 125 39.927 9.068 -6.258 1.00 0.00 H ATOM 1001 H ASN A 125 35.786 8.382 -7.758 1.00 0.00 H ATOM 1002 N ALA A 126 33.277 9.953 -5.992 1.00 13.35 N ATOM 1003 CA ALA A 126 32.125 10.812 -5.713 1.00 12.78 C ATOM 1004 C ALA A 126 31.082 10.115 -4.851 1.00 12.34 C ATOM 1005 O ALA A 126 30.536 9.050 -5.214 1.00 12.01 O ATOM 1006 CB ALA A 126 31.460 11.303 -7.001 1.00 13.03 C ATOM 1007 H ALA A 126 33.232 9.293 -6.795 1.00 0.00 H ATOM 1008 N THR A 127 30.777 10.735 -3.724 1.00 12.45 N ATOM 1009 CA THR A 127 29.588 10.359 -2.956 1.00 11.82 C ATOM 1010 C THR A 127 28.394 10.957 -3.709 1.00 11.45 C ATOM 1011 O THR A 127 28.421 12.112 -4.123 1.00 12.57 O ATOM 1012 CB THR A 127 29.721 10.868 -1.512 1.00 12.63 C ATOM 1013 OG1 THR A 127 30.795 10.168 -0.889 1.00 14.35 O ATOM 1014 CG2 THR A 127 28.479 10.584 -0.704 1.00 13.14 C ATOM 1015 HG1 THR A 127 31.632 10.339 -1.389 1.00 0.00 H ATOM 1016 H THR A 127 31.390 11.501 -3.378 1.00 0.00 H ATOM 1017 N LEU A 128 27.386 10.143 -3.949 1.00 11.45 N ATOM 1018 CA LEU A 128 26.177 10.632 -4.622 1.00 10.34 C ATOM 1019 C LEU A 128 25.020 10.788 -3.641 1.00 11.16 C ATOM 1020 O LEU A 128 24.837 9.969 -2.768 1.00 11.98 O ATOM 1021 CB LEU A 128 25.744 9.690 -5.741 1.00 10.35 C ATOM 1022 CG LEU A 128 26.844 9.324 -6.746 1.00 10.70 C ATOM 1023 CD1 LEU A 128 26.313 8.375 -7.813 1.00 10.79 C ATOM 1024 CD2 LEU A 128 27.485 10.553 -7.377 1.00 11.87 C ATOM 1025 H LEU A 128 27.448 9.146 -3.659 1.00 0.00 H ATOM 1026 N PHE A 129 24.260 11.849 -3.868 1.00 10.74 N ATOM 1027 CA PHE A 129 23.120 12.177 -2.992 1.00 11.33 C ATOM 1028 C PHE A 129 21.852 12.159 -3.828 1.00 11.81 C ATOM 1029 O PHE A 129 21.683 13.010 -4.712 1.00 13.72 O ATOM 1030 CB PHE A 129 23.338 13.553 -2.383 1.00 12.16 C ATOM 1031 CG PHE A 129 24.636 13.655 -1.595 1.00 14.07 C ATOM 1032 CD1 PHE A 129 24.648 13.407 -0.223 1.00 15.58 C ATOM 1033 CD2 PHE A 129 25.833 13.942 -2.243 1.00 14.84 C ATOM 1034 CE1 PHE A 129 25.829 13.467 0.504 1.00 15.97 C ATOM 1035 CE2 PHE A 129 27.018 14.034 -1.502 1.00 16.20 C ATOM 1036 CZ PHE A 129 27.016 13.785 -0.145 1.00 16.08 C ATOM 1037 H PHE A 129 24.472 12.463 -4.680 1.00 0.00 H ATOM 1038 N PHE A 130 21.006 11.151 -3.592 1.00 11.24 N ATOM 1039 CA PHE A 130 19.757 11.003 -4.340 1.00 10.59 C ATOM 1040 C PHE A 130 18.536 11.314 -3.484 1.00 11.38 C ATOM 1041 O PHE A 130 18.485 10.942 -2.313 1.00 12.34 O ATOM 1042 CB PHE A 130 19.607 9.587 -4.860 1.00 10.54 C ATOM 1043 CG PHE A 130 20.571 9.245 -5.956 1.00 9.77 C ATOM 1044 CD1 PHE A 130 20.305 9.559 -7.272 1.00 9.98 C ATOM 1045 CD2 PHE A 130 21.739 8.562 -5.671 1.00 9.89 C ATOM 1046 CE1 PHE A 130 21.182 9.209 -8.294 1.00 10.16 C ATOM 1047 CE2 PHE A 130 22.614 8.205 -6.677 1.00 9.84 C ATOM 1048 CZ PHE A 130 22.359 8.511 -7.956 1.00 9.98 C ATOM 1049 H PHE A 130 21.242 10.454 -2.857 1.00 0.00 H ATOM 1050 N GLU A 131 17.544 11.963 -4.117 1.00 11.83 N ATOM 1051 CA GLU A 131 16.193 12.002 -3.563 1.00 13.00 C ATOM 1052 C GLU A 131 15.423 11.094 -4.519 1.00 11.55 C ATOM 1053 O GLU A 131 15.468 11.296 -5.742 1.00 12.89 O ATOM 1054 CB GLU A 131 15.607 13.427 -3.540 1.00 15.04 C ATOM 1055 CG GLU A 131 14.212 13.484 -2.909 1.00 18.49 C ATOM 1056 CD GLU A 131 13.687 14.894 -2.566 1.00 23.59 C ATOM 1057 OE1 GLU A 131 14.471 15.823 -2.259 1.00 30.86 O ATOM 1058 OE2 GLU A 131 12.445 15.073 -2.583 1.00 29.67 O ATOM 1059 H GLU A 131 17.742 12.446 -5.017 1.00 0.00 H ATOM 1060 N ILE A 132 14.813 10.043 -3.965 1.00 10.93 N ATOM 1061 CA ILE A 132 14.097 9.022 -4.738 1.00 10.38 C ATOM 1062 C ILE A 132 12.660 8.871 -4.253 1.00 10.78 C ATOM 1063 O ILE A 132 12.404 8.800 -3.063 1.00 10.73 O ATOM 1064 CB ILE A 132 14.788 7.631 -4.672 1.00 10.33 C ATOM 1065 CG1 ILE A 132 16.278 7.708 -5.073 1.00 10.43 C ATOM 1066 CG2 ILE A 132 14.043 6.648 -5.570 1.00 11.22 C ATOM 1067 CD1 ILE A 132 16.985 6.379 -4.918 1.00 10.66 C ATOM 1068 H ILE A 132 14.847 9.943 -2.930 1.00 0.00 H ATOM 1069 N GLU A 133 11.735 8.944 -5.213 1.00 10.76 N ATOM 1070 CA GLU A 133 10.317 8.645 -4.981 1.00 11.37 C ATOM 1071 C GLU A 133 9.943 7.333 -5.665 1.00 10.22 C ATOM 1072 O GLU A 133 10.109 7.193 -6.866 1.00 10.20 O ATOM 1073 CB GLU A 133 9.438 9.755 -5.509 1.00 12.18 C ATOM 1074 CG GLU A 133 7.960 9.526 -5.227 1.00 13.92 C ATOM 1075 CD GLU A 133 7.067 10.680 -5.619 1.00 16.47 C ATOM 1076 OE1 GLU A 133 7.544 11.784 -5.929 1.00 17.92 O ATOM 1077 OE2 GLU A 133 5.850 10.435 -5.575 1.00 17.73 O ATOM 1078 H GLU A 133 12.033 9.226 -6.169 1.00 0.00 H ATOM 1079 N LEU A 134 9.455 6.380 -4.873 1.00 10.02 N ATOM 1080 CA LEU A 134 8.959 5.116 -5.429 1.00 10.18 C ATOM 1081 C LEU A 134 7.517 5.315 -5.915 1.00 10.50 C ATOM 1082 O LEU A 134 6.583 5.400 -5.108 1.00 10.97 O ATOM 1083 CB LEU A 134 9.075 3.920 -4.455 1.00 10.59 C ATOM 1084 CG LEU A 134 8.585 2.569 -5.010 1.00 11.10 C ATOM 1085 CD1 LEU A 134 9.309 2.233 -6.297 1.00 11.30 C ATOM 1086 CD2 LEU A 134 8.761 1.497 -3.948 1.00 12.49 C ATOM 1087 H LEU A 134 9.425 6.534 -3.845 1.00 0.00 H ATOM 1088 N LEU A 135 7.343 5.361 -7.209 1.00 10.85 N ATOM 1089 CA LEU A 135 6.003 5.631 -7.812 1.00 11.61 C ATOM 1090 C LEU A 135 5.141 4.374 -7.896 1.00 13.01 C ATOM 1091 O LEU A 135 3.941 4.411 -7.543 1.00 13.73 O ATOM 1092 CB LEU A 135 6.164 6.236 -9.192 1.00 11.93 C ATOM 1093 CG LEU A 135 7.045 7.471 -9.247 1.00 12.21 C ATOM 1094 CD1 LEU A 135 7.504 7.716 -10.674 1.00 12.59 C ATOM 1095 CD2 LEU A 135 6.315 8.692 -8.718 1.00 13.13 C ATOM 1096 H LEU A 135 8.158 5.206 -7.836 1.00 0.00 H ATOM 1097 N ASP A 136 5.719 3.265 -8.340 1.00 13.38 N ATOM 1098 CA ASP A 136 4.993 2.042 -8.585 1.00 13.59 C ATOM 1099 C ASP A 136 5.964 0.913 -8.796 1.00 14.48 C ATOM 1100 O ASP A 136 7.166 1.145 -8.982 1.00 13.09 O ATOM 1101 CB ASP A 136 4.144 2.232 -9.850 1.00 15.02 C ATOM 1102 CG ASP A 136 2.959 1.240 -9.983 1.00 16.81 C ATOM 1103 OD1 ASP A 136 2.565 0.481 -9.032 1.00 16.59 O ATOM 1104 OD2 ASP A 136 2.468 1.199 -11.133 1.00 18.23 O ATOM 1105 H ASP A 136 6.743 3.278 -8.520 1.00 0.00 H ATOM 1106 N PHE A 137 5.464 -0.324 -8.741 1.00 14.43 N ATOM 1107 CA PHE A 137 6.212 -1.488 -9.159 1.00 15.75 C ATOM 1108 C PHE A 137 5.245 -2.610 -9.534 1.00 16.98 C ATOM 1109 O PHE A 137 4.104 -2.673 -9.034 1.00 17.98 O ATOM 1110 CB PHE A 137 7.209 -1.955 -8.084 1.00 16.05 C ATOM 1111 CG PHE A 137 6.568 -2.255 -6.758 1.00 16.37 C ATOM 1112 CD1 PHE A 137 6.102 -3.536 -6.485 1.00 16.97 C ATOM 1113 CD2 PHE A 137 6.461 -1.284 -5.779 1.00 16.77 C ATOM 1114 CE1 PHE A 137 5.501 -3.816 -5.287 1.00 18.03 C ATOM 1115 CE2 PHE A 137 5.870 -1.572 -4.564 1.00 18.12 C ATOM 1116 CZ PHE A 137 5.404 -2.847 -4.312 1.00 18.73 C ATOM 1117 H PHE A 137 4.497 -0.455 -8.383 1.00 0.00 H ATOM 1118 N LYS A 138 5.703 -3.464 -10.436 1.00 18.36 N ATOM 1119 CA LYS A 138 4.872 -4.496 -11.044 1.00 21.48 C ATOM 1120 C LYS A 138 5.714 -5.758 -11.122 1.00 23.58 C ATOM 1121 O LYS A 138 6.881 -5.714 -11.496 1.00 23.70 O ATOM 1122 CB LYS A 138 4.419 -4.101 -12.450 1.00 22.43 C ATOM 1123 CG LYS A 138 3.969 -2.669 -12.648 1.00 23.00 C ATOM 1124 CD LYS A 138 3.611 -2.421 -14.117 1.00 24.93 C ATOM 1125 CE LYS A 138 2.833 -1.123 -14.289 1.00 25.98 C ATOM 1126 NZ LYS A 138 2.741 -0.664 -15.703 1.00 27.69 N ATOM 1127 HZ1 LYS A 138 3.698 -0.504 -16.077 1.00 0.00 H ATOM 1128 HZ2 LYS A 138 2.262 -1.391 -16.272 1.00 0.00 H ATOM 1129 HZ3 LYS A 138 2.199 0.223 -15.744 1.00 0.00 H ATOM 1130 H LYS A 138 6.700 -3.396 -10.724 1.00 0.00 H ATOM 1131 N GLY A 139 5.097 -6.880 -10.753 1.00 29.02 N ATOM 1132 CA GLY A 139 5.752 -8.170 -10.766 1.00 30.91 C ATOM 1133 C GLY A 139 5.874 -8.657 -12.192 1.00 36.94 C ATOM 1134 O GLY A 139 5.219 -9.623 -12.568 1.00 42.72 O ATOM 1135 H GLY A 139 4.106 -6.826 -10.443 1.00 0.00 H TER 1136 GLY A 139 HETATM 1137 O HOH 1 19.426 -10.613 -7.663 1.00 23.02 O HETATM 1138 O HOH 2 11.482 -6.652 -14.384 1.00 38.98 O HETATM 1139 O HOH 3 10.685 2.132 3.815 1.00 21.08 O HETATM 1140 O HOH 4 21.713 -2.694 7.313 1.00 32.01 O HETATM 1141 O HOH 5 13.515 8.791 -19.908 1.00 26.61 O HETATM 1142 O HOH 6 4.260 -0.548 -1.334 1.00 13.95 O HETATM 1143 O HOH 7 36.293 6.183 -1.530 1.00 24.87 O HETATM 1144 O HOH 8 4.246 8.428 -4.913 1.00 20.23 O HETATM 1145 O HOH 9 18.739 -2.983 3.512 1.00 24.02 O HETATM 1146 O HOH 10 33.962 5.688 1.210 1.00 27.62 O HETATM 1147 O HOH 11 14.889 17.733 -10.466 1.00 28.99 O HETATM 1148 O HOH 12 5.267 -1.445 5.324 1.00 28.56 O HETATM 1149 O HOH 13 16.346 16.831 -3.917 1.00 38.98 O HETATM 1150 O HOH 14 19.174 -0.854 8.661 1.00 39.65 O HETATM 1151 O HOH 15 40.133 1.832 -7.073 1.00 23.35 O HETATM 1152 O HOH 16 21.599 -6.586 -7.482 1.00 28.54 O HETATM 1153 O HOH 17 30.136 14.135 -4.759 1.00 13.11 O HETATM 1154 O HOH 18 24.089 -4.207 1.304 1.00 25.90 O HETATM 1155 O HOH 19 13.456 10.537 8.553 1.00 29.30 O HETATM 1156 O HOH 20 18.562 -12.041 -9.726 1.00 25.91 O HETATM 1157 O HOH 21 18.059 -3.638 0.794 1.00 15.84 O HETATM 1158 O HOH 22 5.928 -6.845 -3.338 1.00 20.73 O HETATM 1159 O HOH 23 12.089 -1.400 4.462 1.00 26.97 O HETATM 1160 O HOH 24 26.603 1.382 10.648 1.00 31.61 O HETATM 1161 O HOH 25 24.557 17.250 -2.212 1.00 32.13 O HETATM 1162 O HOH 26 31.560 17.545 -5.355 1.00 26.05 O HETATM 1163 O HOH 27 13.304 19.886 -17.914 1.00 25.54 O HETATM 1164 O HOH 28 6.547 -9.750 -7.620 1.00 34.70 O HETATM 1165 O HOH 29 12.435 19.525 -13.108 1.00 42.60 O HETATM 1166 O HOH 30 7.322 13.503 -8.156 1.00 26.73 O HETATM 1167 O HOH 31 3.063 -6.055 -3.285 1.00 28.52 O HETATM 1168 O HOH 32 7.770 7.738 -21.708 1.00 24.14 O HETATM 1169 O HOH 33 8.367 -7.653 -0.785 1.00 23.19 O HETATM 1170 O HOH 34 -1.836 6.972 0.035 1.00 26.79 O HETATM 1171 O HOH 35 4.291 11.373 -7.808 1.00 23.80 O HETATM 1172 O HOH 36 8.288 16.092 -14.080 1.00 20.79 O HETATM 1173 O HOH 37 32.590 0.055 1.812 1.00 28.66 O HETATM 1174 O HOH 38 37.143 13.395 -11.385 1.00 27.75 O HETATM 1175 O HOH 39 7.882 15.222 -11.554 1.00 29.54 O HETATM 1176 O HOH 40 20.727 13.005 14.645 1.00 40.56 O HETATM 1177 O HOH 41 32.791 -3.269 3.670 1.00 25.96 O HETATM 1178 O HOH 42 5.497 13.571 -4.812 1.00 21.68 O HETATM 1179 O HOH 43 12.226 -10.930 -3.877 1.00 29.88 O HETATM 1180 O HOH 44 32.031 13.264 -2.816 1.00 15.83 O HETATM 1181 O HOH 45 12.883 -5.256 1.747 1.00 33.14 O HETATM 1182 O HOH 46 22.024 -8.755 -9.527 1.00 31.08 O HETATM 1183 O HOH 47 10.704 20.212 -18.006 1.00 19.34 O HETATM 1184 O HOH 48 27.034 15.209 9.495 1.00 23.89 O HETATM 1185 O HOH 49 16.048 19.528 -4.355 1.00 30.39 O HETATM 1186 O HOH 50 2.108 -3.865 -1.239 1.00 29.55 O HETATM 1187 O HOH 51 -1.827 9.773 4.102 1.00 26.86 O HETATM 1188 O HOH 52 21.986 22.256 -9.239 1.00 26.22 O HETATM 1189 O HOH 53 27.224 -6.717 0.567 1.00 32.08 O HETATM 1190 O HOH 54 4.347 -2.177 -17.921 1.00 28.83 O HETATM 1191 O HOH 55 30.962 11.201 2.066 1.00 36.37 O HETATM 1192 O HOH 56 -2.686 6.727 6.427 1.00 23.38 O HETATM 1193 O HOH 57 -1.817 4.567 -5.651 1.00 34.65 O HETATM 1194 O HOH 58 27.002 14.402 -21.377 1.00 16.62 O HETATM 1195 O HOH 59 29.786 8.500 -20.513 1.00 24.81 O HETATM 1196 O HOH 60 13.608 15.736 -5.692 1.00 33.98 O HETATM 1197 O HOH 61 15.414 -4.591 1.875 1.00 33.09 O HETATM 1198 O HOH 62 28.820 17.609 -15.915 1.00 24.36 O HETATM 1199 O HOH 63 34.540 13.984 -3.383 1.00 24.66 O HETATM 1200 O HOH 64 2.413 5.941 -10.289 1.00 29.67 O HETATM 1201 O HOH 65 3.322 -10.637 -3.719 1.00 43.36 O HETATM 1202 O HOH 66 19.891 -7.059 -5.338 1.00 28.81 O HETATM 1203 O HOH 67 28.488 -8.931 1.864 1.00 28.96 O HETATM 1204 O HOH 68 16.793 -2.046 5.486 1.00 30.97 O HETATM 1205 O HOH 69 34.650 12.451 -0.010 1.00 31.73 O HETATM 1206 O HOH 70 25.303 16.970 0.555 1.00 28.78 O HETATM 1207 O HOH 71 26.178 -6.166 11.463 1.00 33.94 O HETATM 1208 O HOH 72 30.352 7.543 -7.540 1.00 11.54 O HETATM 1209 O HOH 73 18.893 -3.673 -11.078 1.00 12.53 O HETATM 1210 O HOH 74 32.863 8.230 -8.403 1.00 9.76 O HETATM 1211 O HOH 75 31.564 2.541 1.248 1.00 19.14 O HETATM 1212 O HOH 76 27.871 0.294 -7.830 1.00 12.18 O HETATM 1213 O HOH 77 28.227 16.810 -12.971 1.00 17.77 O HETATM 1214 O HOH 78 7.678 4.306 3.685 1.00 16.54 O HETATM 1215 O HOH 79 31.925 14.771 -6.788 1.00 17.43 O HETATM 1216 O HOH 80 32.757 3.476 -12.597 1.00 15.98 O HETATM 1217 O HOH 81 37.008 1.726 -7.839 1.00 21.65 O HETATM 1218 O HOH 82 33.441 10.441 -1.527 1.00 14.63 O HETATM 1219 O HOH 83 19.282 1.055 -15.833 1.00 21.62 O HETATM 1220 O HOH 84 28.640 -1.844 -9.686 1.00 15.30 O HETATM 1221 O HOH 85 8.835 4.546 6.371 1.00 23.21 O HETATM 1222 O HOH 86 31.687 5.253 -16.987 1.00 13.11 O HETATM 1223 O HOH 87 9.563 6.437 -18.447 1.00 30.34 O HETATM 1224 O HOH 88 34.518 13.633 -6.234 1.00 17.17 O HETATM 1225 O HOH 89 28.349 11.268 -17.427 1.00 19.95 O HETATM 1226 O HOH 90 27.024 -4.165 2.080 1.00 17.11 O HETATM 1227 O HOH 91 13.663 2.647 5.641 1.00 26.01 O HETATM 1228 O HOH 92 14.630 7.539 8.057 1.00 28.60 O HETATM 1229 O HOH 93 5.779 -7.379 -6.043 1.00 23.83 O HETATM 1230 O HOH 94 31.169 -2.305 -2.719 1.00 23.92 O HETATM 1231 O HOH 95 36.089 3.543 -4.261 1.00 35.61 O HETATM 1232 O HOH 96 13.788 4.322 -17.665 1.00 20.88 O HETATM 1233 O HOH 97 18.675 16.162 -15.623 1.00 24.77 O HETATM 1234 O HOH 98 16.712 0.689 -16.741 1.00 27.16 O HETATM 1235 O HOH 99 21.948 -1.318 -16.797 1.00 19.72 O HETATM 1236 O HOH 100 13.462 9.457 -16.759 1.00 23.13 O HETATM 1237 O HOH 101 31.920 18.671 -9.983 1.00 28.45 O HETATM 1238 O HOH 102 20.924 9.919 3.841 1.00 23.96 O HETATM 1239 O HOH 103 23.347 -3.208 -8.526 1.00 21.95 O HETATM 1240 O HOH 104 12.665 12.798 -6.409 1.00 24.68 O HETATM 1241 O HOH 105 17.729 -5.571 -4.804 1.00 22.07 O HETATM 1242 O HOH 106 22.156 14.847 -16.762 1.00 20.08 O HETATM 1243 O HOH 107 19.560 -7.099 -16.716 1.00 24.96 O HETATM 1244 O HOH 108 19.171 15.265 -4.600 1.00 29.86 O HETATM 1245 O HOH 109 15.490 4.826 6.735 1.00 27.41 O HETATM 1246 O HOH 110 35.227 8.285 -16.364 1.00 26.86 O HETATM 1247 O HOH 111 30.834 17.713 -12.361 1.00 33.79 O HETATM 1248 O HOH 112 22.590 -4.101 -17.016 1.00 20.77 O HETATM 1249 O HOH 113 21.468 2.580 -18.417 1.00 29.30 O HETATM 1250 O HOH 114 36.667 6.005 -4.885 1.00 24.06 O HETATM 1251 O HOH 115 34.292 5.690 -15.913 1.00 18.89 O HETATM 1252 O HOH 116 21.949 2.838 11.122 1.00 22.29 O HETATM 1253 O HOH 117 12.875 -5.836 -1.983 1.00 26.71 O HETATM 1254 O HOH 118 21.945 5.236 -18.536 1.00 29.40 O HETATM 1255 O HOH 119 25.152 -5.656 -14.084 1.00 17.09 O HETATM 1256 O HOH 120 21.791 -6.323 -15.645 1.00 19.76 O HETATM 1257 O HOH 121 28.460 8.406 -18.039 1.00 20.49 O HETATM 1258 O HOH 122 32.927 7.909 -18.491 1.00 22.03 O HETATM 1259 O HOH 123 21.110 -9.746 -13.533 1.00 23.08 O HETATM 1260 O HOH 124 32.331 0.900 -9.208 1.00 27.47 O HETATM 1261 O HOH 125 23.678 -10.045 -14.604 1.00 20.99 O HETATM 1262 O HOH 126 20.208 13.122 -0.460 1.00 39.21 O HETATM 1263 O HOH 127 14.763 -5.539 -17.524 1.00 32.76 O HETATM 1264 O HOH 128 29.850 -3.886 -0.852 1.00 30.31 O HETATM 1265 O HOH 129 29.510 -1.086 -6.015 1.00 24.29 O HETATM 1266 O HOH 130 19.598 3.408 -17.038 1.00 31.82 O HETATM 1267 O HOH 131 24.473 7.797 10.275 1.00 35.46 O HETATM 1268 O HOH 132 26.017 18.576 -13.265 1.00 35.02 O HETATM 1269 O HOH 133 25.733 11.183 -18.934 1.00 28.09 O HETATM 1270 O HOH 134 17.677 7.025 -17.796 1.00 42.95 O HETATM 1271 O HOH 135 28.043 -5.141 -1.983 1.00 34.40 O HETATM 1272 O HOH 136 9.909 13.131 -5.776 1.00 31.64 O HETATM 1273 O HOH 137 33.868 -2.452 -2.112 1.00 33.30 O HETATM 1274 O HOH 138 29.902 -7.021 -3.133 1.00 33.55 O HETATM 1275 O HOH 139 9.882 5.855 8.393 1.00 27.91 O HETATM 1276 O HOH 140 14.184 7.103 -18.065 1.00 31.40 O HETATM 1277 O HOH 141 19.354 -2.104 -18.161 1.00 33.16 O HETATM 1278 O HOH 142 21.806 16.732 -1.528 1.00 35.13 O HETATM 1279 CAB UNN A 143 28.973 1.517 -11.424 1.00 0.06 C HETATM 1280 OAY UNN A 143 28.166 0.327 -11.560 1.00 -0.33 O HETATM 1281 CBF UNN A 143 27.037 0.423 -12.349 1.00 0.11 C HETATM 1282 CAM UNN A 143 26.607 1.568 -12.980 1.00 -0.01 C HETATM 1283 CBD UNN A 143 25.498 1.545 -13.795 1.00 0.07 C HETATM 1284 CAJ UNN A 143 24.787 0.366 -13.907 1.00 -0.05 C HETATM 1285 CAK UNN A 143 25.200 -0.787 -13.261 1.00 -0.05 C HETATM 1286 CBE UNN A 143 26.320 -0.738 -12.454 1.00 0.11 C HETATM 1287 OAX UNN A 143 26.783 -1.839 -11.785 1.00 -0.33 O HETATM 1288 CAA UNN A 143 26.102 -3.102 -11.900 1.00 0.05 C HETATM 1289 H UNN A 143 26.624 -3.856 -11.293 1.00 0.06 H HETATM 1290 H UNN A 143 26.095 -3.420 -12.953 1.00 0.06 H HETATM 1291 H UNN A 143 25.067 -2.995 -11.542 1.00 0.06 H HETATM 1292 H UNN A 143 24.653 -1.714 -13.387 1.00 0.05 H HETATM 1293 H UNN A 143 23.888 0.343 -14.512 1.00 0.04 H HETATM 1294 OAZ UNN A 143 25.228 2.739 -14.426 1.00 -0.33 O HETATM 1295 CAR UNN A 143 24.152 2.893 -15.391 1.00 0.09 C HETATM 1296 CAV UNN A 143 22.794 2.950 -14.700 1.00 0.06 C HETATM 1297 NBL UNN A 143 22.577 4.229 -14.000 1.00 -0.27 N HETATM 1298 C UNN A 143 22.570 4.234 -12.624 1.00 0.20 C HETATM 1299 O UNN A 143 22.847 3.178 -12.016 1.00 -0.39 O HETATM 1300 CA UNN A 143 22.359 5.398 -11.837 1.00 0.13 C HETATM 1301 CB UNN A 143 21.172 5.127 -10.888 1.00 -0.02 C HETATM 1302 CAQ UNN A 143 19.844 5.117 -11.706 1.00 -0.05 C HETATM 1303 CAT UNN A 143 19.678 6.466 -12.389 1.00 -0.03 C HETATM 1304 CBK UNN A 143 20.881 6.817 -13.312 1.00 0.05 C HETATM 1305 CBJ UNN A 143 20.863 5.985 -14.596 1.00 0.03 C HETATM 1306 CAU UNN A 143 22.280 5.421 -14.848 1.00 0.04 C HETATM 1307 H UNN A 143 22.362 5.131 -15.906 1.00 0.05 H HETATM 1308 H UNN A 143 23.017 6.206 -14.625 1.00 0.05 H HETATM 1309 CBH UNN A 143 20.392 6.887 -15.786 1.00 0.08 C HETATM 1310 OAG UNN A 143 19.997 6.043 -16.850 1.00 -0.39 O HETATM 1311 H UNN A 143 20.734 5.507 -17.118 1.00 0.21 H HETATM 1312 CAP UNN A 143 21.447 7.878 -16.208 1.00 0.07 C HETATM 1313 OAF UNN A 143 20.756 9.087 -16.768 1.00 -0.39 O HETATM 1314 H UNN A 143 20.197 9.468 -16.101 1.00 0.21 H HETATM 1315 H UNN A 143 22.094 7.429 -16.976 1.00 0.06 H HETATM 1316 H UNN A 143 22.056 8.166 -15.339 1.00 0.06 H HETATM 1317 H UNN A 143 19.513 7.461 -15.456 1.00 0.06 H HETATM 1318 H UNN A 143 20.159 5.148 -14.480 1.00 0.04 H HETATM 1319 N UNN A 143 22.196 6.673 -12.598 1.00 -0.21 N HETATM 1320 SBN UNN A 143 22.805 8.047 -12.005 1.00 0.07 S HETATM 1321 OAD UNN A 143 23.782 7.633 -10.917 1.00 -0.15 O HETATM 1322 OAE UNN A 143 21.774 9.070 -11.706 1.00 -0.15 O HETATM 1323 CBG UNN A 143 23.775 8.669 -13.346 1.00 0.11 C HETATM 1324 CAN UNN A 143 24.916 8.025 -13.741 1.00 -0.02 C HETATM 1325 CBB UNN A 143 25.639 8.483 -14.794 1.00 0.04 C HETATM 1326 CLA UNN A 143 27.029 7.627 -15.255 1.00 -0.07 CL HETATM 1327 CAL UNN A 143 25.309 9.622 -15.465 1.00 -0.03 C HETATM 1328 CBC UNN A 143 24.165 10.274 -15.064 1.00 0.04 C HETATM 1329 CLB UNN A 143 23.686 11.704 -15.875 1.00 -0.07 CL HETATM 1330 CAO UNN A 143 23.396 9.820 -14.009 1.00 -0.02 C HETATM 1331 H UNN A 143 22.507 10.360 -13.706 1.00 0.06 H HETATM 1332 H UNN A 143 25.920 9.998 -16.278 1.00 0.06 H HETATM 1333 H UNN A 143 25.245 7.141 -13.208 1.00 0.06 H HETATM 1334 H UNN A 143 20.776 7.873 -13.600 1.00 0.05 H HETATM 1335 H UNN A 143 18.761 6.444 -12.997 1.00 0.03 H HETATM 1336 H UNN A 143 19.587 7.244 -11.617 1.00 0.03 H HETATM 1337 H UNN A 143 19.883 4.321 -12.464 1.00 0.03 H HETATM 1338 H UNN A 143 18.995 4.938 -11.030 1.00 0.03 H HETATM 1339 H UNN A 143 21.309 4.151 -10.399 1.00 0.03 H HETATM 1340 H UNN A 143 21.126 5.917 -10.124 1.00 0.03 H HETATM 1341 H UNN A 143 23.257 5.529 -11.215 1.00 0.08 H HETATM 1342 H UNN A 143 22.735 2.131 -13.968 1.00 0.05 H HETATM 1343 H UNN A 143 22.006 2.823 -15.457 1.00 0.05 H HETATM 1344 H UNN A 143 24.166 2.038 -16.084 1.00 0.06 H HETATM 1345 H UNN A 143 24.307 3.825 -15.955 1.00 0.06 H HETATM 1346 H UNN A 143 27.147 2.497 -12.834 1.00 0.04 H HETATM 1347 H UNN A 143 29.834 1.304 -10.774 1.00 0.06 H HETATM 1348 H UNN A 143 28.369 2.321 -10.979 1.00 0.06 H HETATM 1349 H UNN A 143 29.331 1.833 -12.415 1.00 0.06 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 760 761 772 773 774 CONECT 772 760 CONECT 773 760 CONECT 774 760 CONECT 1279 1280 1347 1348 1349 CONECT 1280 1279 1281 CONECT 1281 1280 1282 1286 CONECT 1282 1281 1283 1346 CONECT 1283 1282 1284 1294 CONECT 1284 1283 1285 1293 CONECT 1285 1284 1286 1292 CONECT 1286 1281 1285 1287 CONECT 1287 1286 1288 CONECT 1288 1287 1289 1290 1291 CONECT 1289 1288 CONECT 1290 1288 CONECT 1291 1288 CONECT 1292 1285 CONECT 1293 1284 CONECT 1294 1283 1295 CONECT 1295 1294 1296 1344 1345 CONECT 1296 1295 1297 1342 1343 CONECT 1297 1296 1298 1306 CONECT 1298 1297 1299 1300 CONECT 1299 1298 CONECT 1300 1298 1301 1319 1341 CONECT 1301 1300 1302 1339 1340 CONECT 1302 1301 1303 1337 1338 CONECT 1303 1302 1304 1335 1336 CONECT 1304 1303 1305 1319 1334 CONECT 1305 1304 1306 1309 1318 CONECT 1306 1297 1305 1307 1308 CONECT 1307 1306 CONECT 1308 1306 CONECT 1309 1305 1310 1312 1317 CONECT 1310 1309 1311 CONECT 1311 1310 CONECT 1312 1309 1313 1315 1316 CONECT 1313 1312 1314 CONECT 1314 1313 CONECT 1315 1312 CONECT 1316 1312 CONECT 1317 1309 CONECT 1318 1305 CONECT 1319 1300 1304 1320 CONECT 1320 1319 1321 1322 1323 CONECT 1321 1320 CONECT 1322 1320 CONECT 1323 1320 1324 1330 CONECT 1324 1323 1325 1333 CONECT 1325 1324 1326 1327 CONECT 1326 1325 CONECT 1327 1325 1328 1332 CONECT 1328 1327 1329 1330 CONECT 1329 1328 CONECT 1330 1323 1328 1331 CONECT 1331 1330 CONECT 1332 1327 CONECT 1333 1324 CONECT 1334 1304 CONECT 1335 1303 CONECT 1336 1303 CONECT 1337 1302 CONECT 1338 1302 CONECT 1339 1301 CONECT 1340 1301 CONECT 1341 1300 CONECT 1342 1296 CONECT 1343 1296 CONECT 1344 1295 CONECT 1345 1295 CONECT 1346 1282 CONECT 1347 1279 CONECT 1348 1279 CONECT 1349 1279 MASTER 0 0 0 0 0 0 0 0 1347 2 79 11 END
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4w9o
RCSB PDB
PDBbind
128aa, >4W9O_1|Chains... at 96%
4w9q
RCSB PDB
PDBbind
128aa, >4W9Q_1|Chain... at 96%
5dit
RCSB PDB
PDBbind
128aa, >5DIT_1|Chain... at 96%
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4w9p
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Peptidyl-prolyl cis-trans isomerase FKBP51
Ligand Name
3JR
EC.Number
E.C.5.2.1.8
Resolution
1.5(Å)
Affinity (Kd/Ki/IC50)
Ki=16nM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Angew.Chem.Int.Ed.Engl. Vol. 54: pp. 345-348
Ligand Properties
Formula
C
2
6
H
3
2
Cl
2
N
2
O
8
S
Molecular Weight
603.512
Exact Mass
602.126
No. of atoms
71
No. of bonds
74
Polar Surface Area
134.22
LOGP Value
3.14 (
Computed with XLOGP3
)
3.77 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 4
Canonical SMILES
OC[C@H]([C@H]1CN(CCOc2ccc(c(c2)OC)OC)C(=O)[C@H]2N([C@@H]1CCC2)S(=O)(=O)c1cc(Cl)cc(c1)Cl)O
InChI String
InChI=1S/C26H32Cl2N2O8S/c1-36-24-7-6-18(13-25(24)37-2)38-9-8-29-14-20(23(32)15-31)21-4-3-5-22(26(29)33)30(21)39(34,35)19-11-16(27)10-17(28)12-19/h6-7,10-13,20-23,31-32H,3-5,8-9,14-15H2,1-2H3/t20-,21+,22-,23+/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):
Q13451
Entrez Gene ID
NCBI Entrez Gene ID:
2289
ASD
Information of known allosteric effects of PDB entries
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