Browse entries in the PDBbind-CN Database
HEADER 5E7N_COMPLEX COMPND 5E7N_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 123 GLY SER HIS MET VAL GLY GLN LEU SER ARG GLY ALA ILE SEQRES 2 A 123 ALA ALA ILE MET GLN LYS GLY ASP THR ASN ILE LYS PRO SEQRES 3 A 123 ILE LEU GLN VAL ILE ASN ILE ARG PRO ILE THR THR GLY SEQRES 4 A 123 ASN SER PRO PRO ARG TYR ARG LEU LEU MET SER ASP GLY SEQRES 5 A 123 LEU ASN THR LEU SER SER PHE MET LEU ALA THR GLN LEU SEQRES 6 A 123 ASN PRO LEU VAL GLU GLU GLU GLN LEU SER SER ASN CYS SEQRES 7 A 123 VAL CYS GLN ILE HIS ARG PHE ILE VAL ASN THR LEU LYS SEQRES 8 A 123 ASP GLY ARG ARG VAL VAL ILE LEU MET GLU LEU GLU VAL SEQRES 9 A 123 LEU LYS SER ALA GLU ALA VAL GLY VAL LYS ILE GLY ASN SEQRES 10 A 123 PRO VAL PRO TYR ASN GLU HET UNN A 194 46 ATOM 1 N GLY A -2 -2.260 -3.168 -9.694 1.00 44.63 N ATOM 2 CA GLY A -2 -0.969 -3.784 -9.937 1.00 41.56 C ATOM 3 C GLY A -2 0.152 -3.049 -9.231 1.00 37.29 C ATOM 4 O GLY A -2 0.525 -3.402 -8.112 1.00 35.54 O ATOM 5 HN3 GLY A -2 -2.245 -2.187 -10.040 1.00 0.00 H ATOM 6 HN2 GLY A -2 -2.459 -3.174 -8.673 1.00 0.00 H ATOM 7 HN1 GLY A -2 -2.998 -3.703 -10.195 1.00 0.00 H ATOM 8 N SER A -1 0.687 -2.023 -9.887 1.00 29.49 N ATOM 9 CA SER A -1 1.768 -1.221 -9.320 1.00 24.28 C ATOM 10 C SER A -1 1.271 -0.482 -8.085 1.00 20.08 C ATOM 11 O SER A -1 0.063 -0.441 -7.842 1.00 25.87 O ATOM 12 CB SER A -1 2.269 -0.208 -10.349 1.00 31.01 C ATOM 13 OG SER A -1 1.248 0.716 -10.687 1.00 39.33 O ATOM 14 HG SER A -1 1.595 1.361 -11.353 1.00 0.00 H ATOM 15 H SER A -1 0.325 -1.785 -10.832 1.00 0.00 H ATOM 16 N HIS A 0 2.191 0.109 -7.319 1.00 20.90 N ATOM 17 CA HIS A 0 1.801 0.997 -6.221 1.00 23.66 C ATOM 18 C HIS A 0 1.029 0.120 -5.209 1.00 18.20 C ATOM 19 O HIS A 0 -0.108 0.382 -4.850 1.00 16.51 O ATOM 20 CB HIS A 0 1.078 2.204 -6.893 1.00 29.03 C ATOM 21 CG HIS A 0 0.151 3.022 -6.041 1.00 32.04 C ATOM 22 ND1 HIS A 0 0.538 3.674 -4.887 1.00 33.59 N ATOM 23 CD2 HIS A 0 -1.129 3.404 -6.270 1.00 36.32 C ATOM 24 CE1 HIS A 0 -0.486 4.367 -4.414 1.00 32.78 C ATOM 25 NE2 HIS A 0 -1.505 4.240 -5.248 1.00 17.85 N ATOM 26 H HIS A 0 3.200 -0.064 -7.505 1.00 0.00 H ATOM 27 N MET A 1 1.686 -0.959 -4.765 1.00 16.27 N ATOM 28 CA MET A 1 1.013 -2.006 -3.989 1.00 14.29 C ATOM 29 C MET A 1 0.420 -1.502 -2.686 1.00 11.66 C ATOM 30 O MET A 1 -0.628 -1.966 -2.282 1.00 11.84 O ATOM 31 CB MET A 1 1.942 -3.200 -3.707 1.00 14.89 C ATOM 32 CG MET A 1 2.217 -4.066 -4.948 1.00 19.86 C ATOM 33 SD MET A 1 2.932 -5.691 -4.606 1.00 19.73 S ATOM 34 CE MET A 1 4.543 -5.187 -4.035 1.00 20.69 C ATOM 35 H MET A 1 2.700 -1.057 -4.976 1.00 0.00 H ATOM 36 N VAL A 2 1.091 -0.567 -2.029 1.00 11.63 N ATOM 37 CA VAL A 2 0.577 -0.064 -0.766 1.00 11.60 C ATOM 38 C VAL A 2 -0.730 0.699 -0.998 1.00 10.61 C ATOM 39 O VAL A 2 -1.522 0.860 -0.074 1.00 10.75 O ATOM 40 CB VAL A 2 1.613 0.810 -0.016 1.00 15.63 C ATOM 41 CG1 VAL A 2 1.735 2.186 -0.641 1.00 15.90 C ATOM 42 CG2 VAL A 2 1.253 0.913 1.456 1.00 17.72 C ATOM 43 H VAL A 2 1.982 -0.195 -2.416 1.00 0.00 H ATOM 44 N GLY A 3 -0.958 1.143 -2.234 1.00 10.98 N ATOM 45 CA GLY A 3 -2.217 1.772 -2.577 1.00 11.08 C ATOM 46 C GLY A 3 -3.402 0.830 -2.542 1.00 10.17 C ATOM 47 O GLY A 3 -4.538 1.289 -2.666 1.00 11.24 O ATOM 48 H GLY A 3 -0.222 1.036 -2.961 1.00 0.00 H ATOM 49 N GLN A 4 -3.158 -0.470 -2.364 1.00 9.87 N ATOM 50 CA GLN A 4 -4.234 -1.440 -2.216 1.00 10.87 C ATOM 51 C GLN A 4 -4.815 -1.457 -0.808 1.00 9.48 C ATOM 52 O GLN A 4 -5.881 -2.037 -0.586 1.00 10.77 O ATOM 53 CB GLN A 4 -3.722 -2.845 -2.535 1.00 13.32 C ATOM 54 CG GLN A 4 -3.223 -3.027 -3.958 1.00 19.05 C ATOM 55 CD GLN A 4 -2.627 -4.404 -4.191 1.00 30.14 C ATOM 56 OE1 GLN A 4 -2.857 -5.333 -3.414 1.00 36.46 O ATOM 57 NE2 GLN A 4 -1.853 -4.542 -5.262 1.00 35.71 N ATOM 58 HE22 GLN A 4 -1.686 -3.731 -5.891 1.00 0.00 H ATOM 59 HE21 GLN A 4 -1.414 -5.461 -5.471 1.00 0.00 H ATOM 60 H GLN A 4 -2.172 -0.799 -2.330 1.00 0.00 H ATOM 61 N LEU A 5 -4.107 -0.864 0.150 1.00 8.81 N ATOM 62 CA LEU A 5 -4.486 -0.956 1.553 1.00 8.21 C ATOM 63 C LEU A 5 -4.974 0.387 2.069 1.00 8.77 C ATOM 64 O LEU A 5 -4.558 1.441 1.573 1.00 9.30 O ATOM 65 CB LEU A 5 -3.302 -1.438 2.390 1.00 9.00 C ATOM 66 CG LEU A 5 -2.651 -2.747 1.948 1.00 9.22 C ATOM 67 CD1 LEU A 5 -1.529 -3.138 2.908 1.00 10.26 C ATOM 68 CD2 LEU A 5 -3.663 -3.876 1.840 1.00 10.00 C ATOM 69 H LEU A 5 -3.260 -0.320 -0.110 1.00 0.00 H ATOM 70 N SER A 6 -5.860 0.341 3.057 1.00 8.74 N ATOM 71 CA SER A 6 -6.447 1.544 3.632 1.00 9.90 C ATOM 72 C SER A 6 -5.497 2.241 4.596 1.00 9.28 C ATOM 73 O SER A 6 -5.688 2.203 5.817 1.00 8.85 O ATOM 74 CB SER A 6 -7.745 1.189 4.350 1.00 9.92 C ATOM 75 OG SER A 6 -8.753 0.840 3.410 1.00 10.11 O ATOM 76 HG SER A 6 -9.587 0.613 3.892 1.00 0.00 H ATOM 77 H SER A 6 -6.145 -0.586 3.433 1.00 0.00 H ATOM 78 N ARG A 7 -4.475 2.879 4.041 1.00 9.32 N ATOM 79 CA ARG A 7 -3.471 3.563 4.847 1.00 9.68 C ATOM 80 C ARG A 7 -4.159 4.547 5.763 1.00 10.05 C ATOM 81 O ARG A 7 -4.919 5.392 5.303 1.00 11.17 O ATOM 82 CB ARG A 7 -2.467 4.280 3.950 1.00 10.68 C ATOM 83 CG ARG A 7 -1.531 3.341 3.244 1.00 10.62 C ATOM 84 CD ARG A 7 -0.576 4.077 2.350 1.00 12.98 C ATOM 85 NE ARG A 7 -1.232 4.577 1.148 1.00 14.88 N ATOM 86 CZ ARG A 7 -0.643 5.362 0.256 1.00 20.39 C ATOM 87 NH1 ARG A 7 0.610 5.760 0.438 1.00 21.63 N ATOM 88 NH2 ARG A 7 -1.312 5.764 -0.815 1.00 23.33 N ATOM 89 HE ARG A 7 -2.221 4.302 0.980 1.00 0.00 H ATOM 90 HH12 ARG A 7 1.067 6.376 -0.265 1.00 0.00 H ATOM 91 HH11 ARG A 7 1.135 5.456 1.283 1.00 0.00 H ATOM 92 HH22 ARG A 7 -0.851 6.380 -1.515 1.00 0.00 H ATOM 93 HH21 ARG A 7 -2.298 5.464 -0.955 1.00 0.00 H ATOM 94 H ARG A 7 -4.388 2.892 3.005 1.00 0.00 H ATOM 95 N GLY A 8 -3.894 4.432 7.062 1.00 11.06 N ATOM 96 CA GLY A 8 -4.486 5.297 8.067 1.00 11.83 C ATOM 97 C GLY A 8 -5.665 4.683 8.805 1.00 11.71 C ATOM 98 O GLY A 8 -6.134 5.255 9.779 1.00 12.33 O ATOM 99 H GLY A 8 -3.234 3.690 7.371 1.00 0.00 H ATOM 100 N ALA A 9 -6.165 3.540 8.352 1.00 10.74 N ATOM 101 CA ALA A 9 -7.329 2.932 8.988 1.00 10.23 C ATOM 102 C ALA A 9 -7.043 2.453 10.403 1.00 11.28 C ATOM 103 O ALA A 9 -7.909 2.551 11.267 1.00 11.94 O ATOM 104 CB ALA A 9 -7.861 1.794 8.145 1.00 10.62 C ATOM 105 H ALA A 9 -5.722 3.073 7.535 1.00 0.00 H ATOM 106 N ILE A 10 -5.854 1.926 10.646 1.00 10.39 N ATOM 107 CA ILE A 10 -5.541 1.455 11.989 1.00 11.69 C ATOM 108 C ILE A 10 -5.561 2.631 12.969 1.00 12.64 C ATOM 109 O ILE A 10 -6.187 2.536 14.025 1.00 13.23 O ATOM 110 CB ILE A 10 -4.229 0.663 12.019 1.00 11.89 C ATOM 111 CG1 ILE A 10 -4.489 -0.718 11.420 1.00 12.83 C ATOM 112 CG2 ILE A 10 -3.689 0.526 13.453 1.00 12.87 C ATOM 113 CD1 ILE A 10 -3.253 -1.505 11.119 1.00 13.98 C ATOM 114 H ILE A 10 -5.149 1.849 9.885 1.00 0.00 H ATOM 115 N ALA A 11 -4.931 3.750 12.616 1.00 12.43 N ATOM 116 CA ALA A 11 -4.954 4.928 13.474 1.00 13.80 C ATOM 117 C ALA A 11 -6.385 5.415 13.671 1.00 15.64 C ATOM 118 O ALA A 11 -6.757 5.835 14.766 1.00 16.70 O ATOM 119 CB ALA A 11 -4.107 6.019 12.879 1.00 15.95 C ATOM 120 H ALA A 11 -4.415 3.784 11.714 1.00 0.00 H ATOM 121 N ALA A 12 -7.188 5.365 12.614 1.00 14.53 N ATOM 122 CA ALA A 12 -8.573 5.796 12.703 1.00 15.60 C ATOM 123 C ALA A 12 -9.343 4.919 13.683 1.00 15.18 C ATOM 124 O ALA A 12 -10.099 5.425 14.512 1.00 18.24 O ATOM 125 CB ALA A 12 -9.226 5.763 11.340 1.00 16.45 C ATOM 126 H ALA A 12 -6.819 5.012 11.708 1.00 0.00 H ATOM 127 N ILE A 13 -9.159 3.608 13.589 1.00 14.22 N ATOM 128 CA ILE A 13 -9.838 2.692 14.495 1.00 15.11 C ATOM 129 C ILE A 13 -9.417 2.937 15.939 1.00 15.90 C ATOM 130 O ILE A 13 -10.263 3.011 16.836 1.00 18.13 O ATOM 131 CB ILE A 13 -9.571 1.223 14.108 1.00 15.42 C ATOM 132 CG1 ILE A 13 -10.245 0.914 12.767 1.00 15.48 C ATOM 133 CG2 ILE A 13 -10.085 0.267 15.193 1.00 16.99 C ATOM 134 CD1 ILE A 13 -9.904 -0.437 12.188 1.00 16.70 C ATOM 135 H ILE A 13 -8.522 3.230 12.859 1.00 0.00 H ATOM 136 N MET A 14 -8.117 3.092 16.160 1.00 15.07 N ATOM 137 CA MET A 14 -7.623 3.168 17.523 1.00 15.55 C ATOM 138 C MET A 14 -7.727 4.578 18.115 1.00 15.45 C ATOM 139 O MET A 14 -7.919 4.712 19.325 1.00 18.36 O ATOM 140 CB MET A 14 -6.197 2.612 17.605 1.00 17.39 C ATOM 141 CG MET A 14 -6.068 1.186 17.052 1.00 17.32 C ATOM 142 SD MET A 14 -7.215 -0.014 17.771 1.00 18.26 S ATOM 143 CE MET A 14 -6.538 -0.212 19.416 1.00 26.12 C ATOM 144 H MET A 14 -7.456 3.159 15.360 1.00 0.00 H ATOM 145 N GLN A 15 -7.630 5.616 17.292 1.00 15.32 N ATOM 146 CA GLN A 15 -7.712 6.992 17.796 1.00 17.79 C ATOM 147 C GLN A 15 -9.137 7.533 17.826 1.00 19.17 C ATOM 148 O GLN A 15 -9.516 8.228 18.770 1.00 22.56 O ATOM 149 CB GLN A 15 -6.823 7.935 16.980 1.00 19.36 C ATOM 150 CG GLN A 15 -5.352 7.606 17.088 1.00 21.41 C ATOM 151 CD GLN A 15 -4.498 8.286 16.027 1.00 24.51 C ATOM 152 OE1 GLN A 15 -4.941 9.214 15.349 1.00 30.32 O ATOM 153 NE2 GLN A 15 -3.266 7.815 15.876 1.00 24.61 N ATOM 154 HE22 GLN A 15 -2.933 7.029 16.471 1.00 0.00 H ATOM 155 HE21 GLN A 15 -2.634 8.232 15.163 1.00 0.00 H ATOM 156 H GLN A 15 -7.494 5.451 16.274 1.00 0.00 H ATOM 157 N LYS A 16 -9.921 7.221 16.800 1.00 20.49 N ATOM 158 CA LYS A 16 -11.282 7.746 16.689 1.00 22.42 C ATOM 159 C LYS A 16 -12.350 6.728 17.086 1.00 26.74 C ATOM 160 O LYS A 16 -13.449 7.103 17.486 1.00 31.55 O ATOM 161 CB LYS A 16 -11.561 8.231 15.262 1.00 26.94 C ATOM 162 CG LYS A 16 -10.698 9.396 14.804 1.00 38.60 C ATOM 163 CD LYS A 16 -11.383 10.181 13.689 1.00 47.79 C ATOM 164 CE LYS A 16 -11.546 9.362 12.414 1.00 52.56 C ATOM 165 NZ LYS A 16 -10.262 9.192 11.678 1.00 54.02 N ATOM 166 HZ1 LYS A 16 -9.889 10.126 11.414 1.00 0.00 H ATOM 167 HZ2 LYS A 16 -9.576 8.703 12.288 1.00 0.00 H ATOM 168 HZ3 LYS A 16 -10.428 8.628 10.820 1.00 0.00 H ATOM 169 H LYS A 16 -9.559 6.589 16.058 1.00 0.00 H ATOM 170 N GLY A 17 -12.039 5.443 16.971 1.00 26.27 N ATOM 171 CA GLY A 17 -13.020 4.410 17.252 1.00 25.96 C ATOM 172 C GLY A 17 -14.066 4.337 16.155 1.00 29.06 C ATOM 173 O GLY A 17 -15.180 3.861 16.371 1.00 32.07 O ATOM 174 H GLY A 17 -11.079 5.172 16.676 1.00 0.00 H ATOM 175 N ASP A 18 -13.694 4.815 14.971 1.00 24.31 N ATOM 176 CA ASP A 18 -14.557 4.795 13.796 1.00 25.11 C ATOM 177 C ASP A 18 -14.925 3.359 13.426 1.00 25.70 C ATOM 178 O ASP A 18 -14.039 2.565 13.121 1.00 27.81 O ATOM 179 CB ASP A 18 -13.804 5.451 12.633 1.00 33.58 C ATOM 180 CG ASP A 18 -14.698 5.781 11.454 1.00 42.73 C ATOM 181 OD1 ASP A 18 -15.752 5.132 11.287 1.00 47.17 O ATOM 182 OD2 ASP A 18 -14.335 6.694 10.682 1.00 43.15 O ATOM 183 H ASP A 18 -12.742 5.223 14.879 1.00 0.00 H ATOM 184 N THR A 19 -16.219 3.027 13.455 1.00 22.12 N ATOM 185 CA THR A 19 -16.674 1.681 13.071 1.00 23.39 C ATOM 186 C THR A 19 -17.484 1.663 11.774 1.00 21.08 C ATOM 187 O THR A 19 -17.944 0.607 11.336 1.00 21.27 O ATOM 188 CB THR A 19 -17.507 1.000 14.182 1.00 26.16 C ATOM 189 OG1 THR A 19 -18.598 1.845 14.570 1.00 25.05 O ATOM 190 CG2 THR A 19 -16.634 0.696 15.391 1.00 28.92 C ATOM 191 HG1 THR A 19 -19.123 1.399 15.281 1.00 0.00 H ATOM 192 H THR A 19 -16.919 3.735 13.755 1.00 0.00 H ATOM 193 N ASN A 20 -17.647 2.823 11.153 1.00 21.25 N ATOM 194 CA ASN A 20 -18.394 2.913 9.903 1.00 22.21 C ATOM 195 C ASN A 20 -17.527 2.584 8.687 1.00 21.83 C ATOM 196 O ASN A 20 -18.035 2.167 7.645 1.00 23.13 O ATOM 197 CB ASN A 20 -19.011 4.305 9.764 1.00 25.91 C ATOM 198 CG ASN A 20 -20.076 4.573 10.808 1.00 34.32 C ATOM 199 OD1 ASN A 20 -20.859 3.687 11.150 1.00 39.66 O ATOM 200 ND2 ASN A 20 -20.107 5.798 11.325 1.00 37.67 N ATOM 201 HD22 ASN A 20 -19.425 6.515 11.005 1.00 0.00 H ATOM 202 HD21 ASN A 20 -20.813 6.039 12.049 1.00 0.00 H ATOM 203 H ASN A 20 -17.235 3.685 11.564 1.00 0.00 H ATOM 204 N ILE A 21 -16.218 2.764 8.823 1.00 16.52 N ATOM 205 CA ILE A 21 -15.287 2.456 7.742 1.00 14.42 C ATOM 206 C ILE A 21 -15.275 0.962 7.427 1.00 12.21 C ATOM 207 O ILE A 21 -15.600 0.133 8.282 1.00 13.58 O ATOM 208 CB ILE A 21 -13.857 2.940 8.069 1.00 14.89 C ATOM 209 CG1 ILE A 21 -13.377 2.374 9.405 1.00 16.09 C ATOM 210 CG2 ILE A 21 -13.810 4.461 8.113 1.00 17.44 C ATOM 211 CD1 ILE A 21 -11.889 2.566 9.639 1.00 18.93 C ATOM 212 H ILE A 21 -15.847 3.133 9.722 1.00 0.00 H ATOM 213 N LYS A 22 -14.928 0.640 6.186 1.00 11.86 N ATOM 214 CA LYS A 22 -14.791 -0.742 5.736 1.00 11.27 C ATOM 215 C LYS A 22 -13.393 -0.924 5.165 1.00 10.07 C ATOM 216 O LYS A 22 -13.216 -1.100 3.965 1.00 11.22 O ATOM 217 CB LYS A 22 -15.859 -1.078 4.693 1.00 13.46 C ATOM 218 CG LYS A 22 -17.287 -0.993 5.225 1.00 16.44 C ATOM 219 CD LYS A 22 -18.311 -1.424 4.187 1.00 24.75 C ATOM 220 CE LYS A 22 -19.734 -1.256 4.708 1.00 32.55 C ATOM 221 NZ LYS A 22 -20.058 -2.229 5.789 1.00 37.84 N ATOM 222 HZ1 LYS A 22 -19.960 -3.197 5.423 1.00 0.00 H ATOM 223 HZ2 LYS A 22 -19.404 -2.091 6.586 1.00 0.00 H ATOM 224 HZ3 LYS A 22 -21.035 -2.076 6.110 1.00 0.00 H ATOM 225 H LYS A 22 -14.746 1.405 5.506 1.00 0.00 H ATOM 226 N PRO A 23 -12.389 -0.867 6.035 1.00 9.62 N ATOM 227 CA PRO A 23 -11.015 -0.751 5.555 1.00 10.04 C ATOM 228 C PRO A 23 -10.499 -2.029 4.937 1.00 9.57 C ATOM 229 O PRO A 23 -10.930 -3.137 5.287 1.00 9.89 O ATOM 230 CB PRO A 23 -10.234 -0.428 6.825 1.00 11.73 C ATOM 231 CG PRO A 23 -11.035 -1.049 7.918 1.00 11.37 C ATOM 232 CD PRO A 23 -12.465 -0.892 7.504 1.00 11.33 C ATOM 233 N ILE A 24 -9.544 -1.854 4.035 1.00 8.80 N ATOM 234 CA ILE A 24 -8.855 -2.954 3.392 1.00 8.70 C ATOM 235 C ILE A 24 -7.484 -3.103 4.038 1.00 8.28 C ATOM 236 O ILE A 24 -6.683 -2.160 4.078 1.00 8.86 O ATOM 237 CB ILE A 24 -8.754 -2.728 1.877 1.00 9.56 C ATOM 238 CG1 ILE A 24 -10.166 -2.661 1.278 1.00 10.86 C ATOM 239 CG2 ILE A 24 -7.936 -3.845 1.210 1.00 9.41 C ATOM 240 CD1 ILE A 24 -10.194 -2.228 -0.172 1.00 13.11 C ATOM 241 H ILE A 24 -9.277 -0.883 3.777 1.00 0.00 H ATOM 242 N LEU A 25 -7.246 -4.290 4.589 1.00 8.07 N ATOM 243 CA LEU A 25 -6.053 -4.593 5.374 1.00 8.50 C ATOM 244 C LEU A 25 -5.406 -5.863 4.868 1.00 8.61 C ATOM 245 O LEU A 25 -6.075 -6.709 4.275 1.00 10.28 O ATOM 246 CB LEU A 25 -6.434 -4.803 6.841 1.00 9.65 C ATOM 247 CG LEU A 25 -7.206 -3.674 7.524 1.00 11.43 C ATOM 248 CD1 LEU A 25 -7.653 -4.107 8.917 1.00 14.05 C ATOM 249 CD2 LEU A 25 -6.355 -2.431 7.598 1.00 12.46 C ATOM 250 H LEU A 25 -7.949 -5.044 4.453 1.00 0.00 H ATOM 251 N GLN A 26 -4.112 -6.011 5.123 1.00 8.14 N ATOM 252 CA GLN A 26 -3.408 -7.229 4.777 1.00 8.08 C ATOM 253 C GLN A 26 -3.180 -8.038 6.042 1.00 8.16 C ATOM 254 O GLN A 26 -2.800 -7.495 7.077 1.00 8.29 O ATOM 255 CB GLN A 26 -2.074 -6.918 4.098 1.00 7.79 C ATOM 256 CG GLN A 26 -1.350 -8.180 3.667 1.00 8.33 C ATOM 257 CD GLN A 26 -0.044 -7.935 2.933 1.00 8.33 C ATOM 258 OE1 GLN A 26 0.701 -7.000 3.239 1.00 9.02 O ATOM 259 NE2 GLN A 26 0.250 -8.792 1.957 1.00 8.97 N ATOM 260 HE22 GLN A 26 -0.406 -9.567 1.730 1.00 0.00 H ATOM 261 HE21 GLN A 26 1.135 -8.686 1.421 1.00 0.00 H ATOM 262 H GLN A 26 -3.592 -5.236 5.581 1.00 0.00 H ATOM 263 N VAL A 27 -3.400 -9.344 5.954 1.00 8.13 N ATOM 264 CA VAL A 27 -3.041 -10.253 7.031 1.00 8.57 C ATOM 265 C VAL A 27 -1.536 -10.497 6.978 1.00 8.66 C ATOM 266 O VAL A 27 -0.993 -10.924 5.952 1.00 10.33 O ATOM 267 CB VAL A 27 -3.784 -11.598 6.889 1.00 9.29 C ATOM 268 CG1 VAL A 27 -3.374 -12.573 7.993 1.00 9.92 C ATOM 269 CG2 VAL A 27 -5.287 -11.388 6.891 1.00 10.73 C ATOM 270 H VAL A 27 -3.840 -9.727 5.093 1.00 0.00 H ATOM 271 N ILE A 28 -0.854 -10.205 8.077 1.00 8.50 N ATOM 272 CA ILE A 28 0.567 -10.502 8.169 1.00 9.31 C ATOM 273 C ILE A 28 0.782 -11.859 8.823 1.00 9.89 C ATOM 274 O ILE A 28 1.609 -12.639 8.361 1.00 12.02 O ATOM 275 CB ILE A 28 1.338 -9.413 8.945 1.00 9.83 C ATOM 276 CG1 ILE A 28 1.094 -8.030 8.319 1.00 10.60 C ATOM 277 CG2 ILE A 28 2.828 -9.732 8.970 1.00 11.93 C ATOM 278 CD1 ILE A 28 1.443 -7.927 6.845 1.00 12.43 C ATOM 279 H ILE A 28 -1.340 -9.759 8.881 1.00 0.00 H ATOM 280 N ASN A 29 0.031 -12.137 9.883 1.00 9.93 N ATOM 281 CA ASN A 29 0.131 -13.415 10.572 1.00 11.46 C ATOM 282 C ASN A 29 -1.183 -13.757 11.242 1.00 10.35 C ATOM 283 O ASN A 29 -1.985 -12.873 11.547 1.00 10.12 O ATOM 284 CB ASN A 29 1.268 -13.388 11.605 1.00 17.12 C ATOM 285 CG ASN A 29 1.568 -14.755 12.167 1.00 26.78 C ATOM 286 OD1 ASN A 29 1.574 -15.746 11.438 1.00 25.16 O ATOM 287 ND2 ASN A 29 1.804 -14.821 13.473 1.00 36.72 N ATOM 288 HD22 ASN A 29 1.788 -13.955 14.049 1.00 0.00 H ATOM 289 HD21 ASN A 29 2.005 -15.739 13.919 1.00 0.00 H ATOM 290 H ASN A 29 -0.644 -11.425 10.228 1.00 0.00 H ATOM 291 N ILE A 30 -1.406 -15.055 11.434 1.00 10.93 N ATOM 292 CA ILE A 30 -2.560 -15.574 12.161 1.00 11.51 C ATOM 293 C ILE A 30 -2.052 -16.637 13.118 1.00 11.73 C ATOM 294 O ILE A 30 -1.222 -17.471 12.744 1.00 13.13 O ATOM 295 CB ILE A 30 -3.587 -16.237 11.227 1.00 14.37 C ATOM 296 CG1 ILE A 30 -3.970 -15.291 10.093 1.00 16.23 C ATOM 297 CG2 ILE A 30 -4.830 -16.665 12.015 1.00 14.59 C ATOM 298 CD1 ILE A 30 -4.905 -15.913 9.072 1.00 18.74 C ATOM 299 H ILE A 30 -0.722 -15.735 11.045 1.00 0.00 H ATOM 300 N ARG A 31 -2.553 -16.619 14.345 1.00 11.15 N ATOM 301 CA ARG A 31 -2.103 -17.540 15.379 1.00 13.50 C ATOM 302 C ARG A 31 -3.297 -17.957 16.232 1.00 12.75 C ATOM 303 O ARG A 31 -4.145 -17.124 16.543 1.00 12.57 O ATOM 304 CB ARG A 31 -1.071 -16.812 16.247 1.00 20.89 C ATOM 305 CG ARG A 31 -0.345 -17.624 17.293 1.00 33.01 C ATOM 306 CD ARG A 31 0.529 -16.678 18.111 1.00 38.61 C ATOM 307 NE ARG A 31 1.255 -17.327 19.202 1.00 47.29 N ATOM 308 CZ ARG A 31 2.473 -17.851 19.096 1.00 52.54 C ATOM 309 NH1 ARG A 31 3.123 -17.832 17.936 1.00 53.62 N ATOM 310 NH2 ARG A 31 3.043 -18.405 20.157 1.00 54.02 N ATOM 311 HE ARG A 31 0.785 -17.383 20.128 1.00 0.00 H ATOM 312 HH12 ARG A 31 4.075 -18.245 17.866 1.00 0.00 H ATOM 313 HH11 ARG A 31 2.679 -17.404 17.098 1.00 0.00 H ATOM 314 HH22 ARG A 31 3.995 -18.816 20.080 1.00 0.00 H ATOM 315 HH21 ARG A 31 2.538 -18.428 21.066 1.00 0.00 H ATOM 316 H ARG A 31 -3.292 -15.924 14.577 1.00 0.00 H ATOM 317 N PRO A 32 -3.386 -19.242 16.607 1.00 12.23 N ATOM 318 CA PRO A 32 -4.417 -19.596 17.585 1.00 12.95 C ATOM 319 C PRO A 32 -4.086 -19.014 18.951 1.00 15.56 C ATOM 320 O PRO A 32 -2.908 -18.855 19.286 1.00 17.91 O ATOM 321 CB PRO A 32 -4.344 -21.131 17.649 1.00 13.93 C ATOM 322 CG PRO A 32 -3.476 -21.556 16.518 1.00 14.69 C ATOM 323 CD PRO A 32 -2.573 -20.407 16.225 1.00 13.75 C ATOM 324 N ILE A 33 -5.118 -18.693 19.721 1.00 14.91 N ATOM 325 CA ILE A 33 -4.955 -18.289 21.114 1.00 20.84 C ATOM 326 C ILE A 33 -5.179 -19.523 21.959 1.00 20.44 C ATOM 327 O ILE A 33 -5.932 -20.412 21.567 1.00 22.86 O ATOM 328 CB ILE A 33 -5.990 -17.212 21.522 1.00 38.53 C ATOM 329 CG1 ILE A 33 -5.817 -15.951 20.677 1.00 41.46 C ATOM 330 CG2 ILE A 33 -5.877 -16.859 23.004 1.00 44.62 C ATOM 331 CD1 ILE A 33 -6.579 -15.992 19.383 1.00 44.15 C ATOM 332 H ILE A 33 -6.076 -18.731 19.318 1.00 0.00 H ATOM 333 N THR A 34 -4.532 -19.587 23.116 1.00 19.67 N ATOM 334 CA THR A 34 -4.749 -20.693 24.038 1.00 21.51 C ATOM 335 C THR A 34 -6.174 -20.635 24.584 1.00 26.59 C ATOM 336 O THR A 34 -6.575 -19.635 25.181 1.00 28.65 O ATOM 337 CB THR A 34 -3.741 -20.659 25.209 1.00 26.01 C ATOM 338 OG1 THR A 34 -2.406 -20.703 24.689 1.00 28.96 O ATOM 339 CG2 THR A 34 -3.950 -21.841 26.149 1.00 27.14 C ATOM 340 HG1 THR A 34 -2.256 -19.921 24.100 1.00 0.00 H ATOM 341 H THR A 34 -3.859 -18.835 23.368 1.00 0.00 H ATOM 342 N THR A 35 -6.933 -21.707 24.363 1.00 37.61 N ATOM 343 CA THR A 35 -8.307 -21.804 24.847 1.00 52.17 C ATOM 344 C THR A 35 -8.529 -23.128 25.570 1.00 60.94 C ATOM 345 O THR A 35 -7.741 -24.063 25.429 1.00 62.82 O ATOM 346 CB THR A 35 -9.326 -21.711 23.693 1.00 56.45 C ATOM 347 OG1 THR A 35 -9.117 -22.793 22.776 1.00 58.64 O ATOM 348 CG2 THR A 35 -9.194 -20.387 22.957 1.00 55.10 C ATOM 349 HG1 THR A 35 -9.773 -22.729 22.037 1.00 0.00 H ATOM 350 H THR A 35 -6.533 -22.503 23.827 1.00 0.00 H ATOM 351 N GLY A 36 -9.611 -23.199 26.339 1.00 66.46 N ATOM 352 CA GLY A 36 -9.969 -24.414 27.050 1.00 72.20 C ATOM 353 C GLY A 36 -10.705 -25.391 26.154 1.00 76.76 C ATOM 354 O GLY A 36 -10.273 -25.667 25.035 1.00 76.97 O ATOM 355 H GLY A 36 -10.219 -22.360 26.434 1.00 0.00 H ATOM 356 N ASN A 37 -11.824 -25.914 26.648 1.00 80.57 N ATOM 357 CA ASN A 37 -12.651 -26.836 25.876 1.00 84.32 C ATOM 358 C ASN A 37 -13.539 -26.102 24.873 1.00 80.67 C ATOM 359 O ASN A 37 -14.354 -26.718 24.185 1.00 83.76 O ATOM 360 CB ASN A 37 -13.518 -27.677 26.814 1.00 91.18 C ATOM 361 CG ASN A 37 -12.697 -28.510 27.777 1.00 97.19 C ATOM 362 OD1 ASN A 37 -12.438 -29.688 27.532 1.00 99.81 O ATOM 363 ND2 ASN A 37 -12.281 -27.900 28.882 1.00 98.90 N ATOM 364 HD22 ASN A 37 -12.524 -26.902 29.048 1.00 0.00 H ATOM 365 HD21 ASN A 37 -11.713 -28.420 29.581 1.00 0.00 H ATOM 366 H ASN A 37 -12.118 -25.658 27.612 1.00 0.00 H ATOM 367 N SER A 38 -13.374 -24.785 24.797 1.00 72.08 N ATOM 368 CA SER A 38 -14.173 -23.948 23.912 1.00 62.55 C ATOM 369 C SER A 38 -13.583 -23.941 22.502 1.00 50.64 C ATOM 370 O SER A 38 -12.458 -24.399 22.300 1.00 49.38 O ATOM 371 CB SER A 38 -14.226 -22.525 24.471 1.00 61.99 C ATOM 372 OG SER A 38 -12.939 -21.934 24.464 1.00 61.86 O ATOM 373 HG SER A 38 -12.997 -21.016 24.829 1.00 0.00 H ATOM 374 H SER A 38 -12.648 -24.336 25.391 1.00 0.00 H ATOM 375 N PRO A 39 -14.343 -23.427 21.519 1.00 40.74 N ATOM 376 CA PRO A 39 -13.842 -23.372 20.140 1.00 32.11 C ATOM 377 C PRO A 39 -12.533 -22.598 20.027 1.00 24.93 C ATOM 378 O PRO A 39 -12.325 -21.650 20.791 1.00 24.30 O ATOM 379 CB PRO A 39 -14.951 -22.625 19.394 1.00 35.29 C ATOM 380 CG PRO A 39 -16.176 -22.866 20.189 1.00 36.13 C ATOM 381 CD PRO A 39 -15.728 -22.933 21.617 1.00 39.52 C ATOM 382 N PRO A 40 -11.663 -22.985 19.078 1.00 22.32 N ATOM 383 CA PRO A 40 -10.413 -22.246 18.911 1.00 20.69 C ATOM 384 C PRO A 40 -10.701 -20.795 18.589 1.00 16.06 C ATOM 385 O PRO A 40 -11.731 -20.493 17.988 1.00 17.29 O ATOM 386 CB PRO A 40 -9.754 -22.929 17.706 1.00 26.39 C ATOM 387 CG PRO A 40 -10.384 -24.272 17.628 1.00 32.83 C ATOM 388 CD PRO A 40 -11.783 -24.087 18.108 1.00 28.74 C ATOM 389 N ARG A 41 -9.807 -19.906 18.997 1.00 15.35 N ATOM 390 CA ARG A 41 -9.894 -18.508 18.618 1.00 14.20 C ATOM 391 C ARG A 41 -8.605 -18.117 17.915 1.00 13.86 C ATOM 392 O ARG A 41 -7.525 -18.621 18.258 1.00 15.02 O ATOM 393 CB ARG A 41 -10.117 -17.617 19.839 1.00 16.89 C ATOM 394 CG ARG A 41 -11.383 -17.918 20.640 1.00 21.21 C ATOM 395 CD ARG A 41 -12.647 -17.896 19.795 1.00 20.57 C ATOM 396 NE ARG A 41 -12.886 -16.618 19.123 1.00 19.70 N ATOM 397 CZ ARG A 41 -13.596 -15.610 19.628 1.00 21.03 C ATOM 398 NH1 ARG A 41 -14.139 -15.701 20.834 1.00 22.29 N ATOM 399 NH2 ARG A 41 -13.758 -14.500 18.921 1.00 20.91 N ATOM 400 HE ARG A 41 -12.470 -16.487 18.179 1.00 0.00 H ATOM 401 HH12 ARG A 41 -14.691 -14.907 21.217 1.00 0.00 H ATOM 402 HH11 ARG A 41 -14.013 -16.566 21.397 1.00 0.00 H ATOM 403 HH22 ARG A 41 -14.311 -13.711 19.312 1.00 0.00 H ATOM 404 HH21 ARG A 41 -13.332 -14.419 17.976 1.00 0.00 H ATOM 405 H ARG A 41 -9.023 -20.218 19.605 1.00 0.00 H ATOM 406 N TYR A 42 -8.722 -17.233 16.929 1.00 11.37 N ATOM 407 CA TYR A 42 -7.577 -16.807 16.126 1.00 10.81 C ATOM 408 C TYR A 42 -7.313 -15.320 16.292 1.00 10.42 C ATOM 409 O TYR A 42 -8.225 -14.499 16.204 1.00 11.90 O ATOM 410 CB TYR A 42 -7.795 -17.133 14.643 1.00 11.07 C ATOM 411 CG TYR A 42 -7.921 -18.610 14.399 1.00 11.50 C ATOM 412 CD1 TYR A 42 -6.801 -19.422 14.378 1.00 12.46 C ATOM 413 CD2 TYR A 42 -9.165 -19.207 14.214 1.00 13.47 C ATOM 414 CE1 TYR A 42 -6.909 -20.785 14.169 1.00 12.72 C ATOM 415 CE2 TYR A 42 -9.285 -20.569 14.005 1.00 14.67 C ATOM 416 CZ TYR A 42 -8.154 -21.357 13.988 1.00 14.53 C ATOM 417 OH TYR A 42 -8.265 -22.713 13.779 1.00 17.90 O ATOM 418 HH TYR A 42 -8.686 -22.877 12.898 1.00 0.00 H ATOM 419 H TYR A 42 -9.659 -16.831 16.722 1.00 0.00 H ATOM 420 N ARG A 43 -6.051 -14.996 16.553 1.00 9.80 N ATOM 421 CA ARG A 43 -5.567 -13.619 16.654 1.00 9.88 C ATOM 422 C ARG A 43 -4.807 -13.301 15.375 1.00 9.50 C ATOM 423 O ARG A 43 -4.091 -14.164 14.842 1.00 10.82 O ATOM 424 CB ARG A 43 -4.647 -13.484 17.874 1.00 12.60 C ATOM 425 CG ARG A 43 -3.959 -12.143 18.046 1.00 15.74 C ATOM 426 CD ARG A 43 -3.110 -12.143 19.323 1.00 20.12 C ATOM 427 NE ARG A 43 -2.475 -10.848 19.564 1.00 26.45 N ATOM 428 CZ ARG A 43 -1.879 -10.503 20.698 1.00 32.55 C ATOM 429 NH1 ARG A 43 -1.847 -11.347 21.722 1.00 30.96 N ATOM 430 NH2 ARG A 43 -1.325 -9.303 20.816 1.00 31.77 N ATOM 431 HE ARG A 43 -2.492 -10.150 18.794 1.00 0.00 H ATOM 432 HH12 ARG A 43 -1.378 -11.071 22.609 1.00 0.00 H ATOM 433 HH11 ARG A 43 -2.290 -12.284 21.638 1.00 0.00 H ATOM 434 HH22 ARG A 43 -0.857 -9.031 21.704 1.00 0.00 H ATOM 435 HH21 ARG A 43 -1.358 -8.634 20.020 1.00 0.00 H ATOM 436 H ARG A 43 -5.367 -15.767 16.694 1.00 0.00 H ATOM 437 N LEU A 44 -4.958 -12.068 14.888 1.00 9.09 N ATOM 438 CA LEU A 44 -4.321 -11.661 13.639 1.00 9.27 C ATOM 439 C LEU A 44 -3.458 -10.432 13.838 1.00 9.65 C ATOM 440 O LEU A 44 -3.834 -9.493 14.550 1.00 11.09 O ATOM 441 CB LEU A 44 -5.357 -11.358 12.557 1.00 9.49 C ATOM 442 CG LEU A 44 -6.291 -12.491 12.145 1.00 12.15 C ATOM 443 CD1 LEU A 44 -7.487 -12.571 13.085 1.00 21.79 C ATOM 444 CD2 LEU A 44 -6.762 -12.309 10.716 1.00 12.05 C ATOM 445 H LEU A 44 -5.542 -11.383 15.409 1.00 0.00 H ATOM 446 N LEU A 45 -2.306 -10.455 13.180 1.00 8.60 N ATOM 447 CA LEU A 45 -1.472 -9.279 12.987 1.00 8.86 C ATOM 448 C LEU A 45 -1.842 -8.751 11.615 1.00 8.07 C ATOM 449 O LEU A 45 -1.638 -9.445 10.623 1.00 8.30 O ATOM 450 CB LEU A 45 0.002 -9.671 13.037 1.00 10.16 C ATOM 451 CG LEU A 45 1.035 -8.571 12.786 1.00 10.56 C ATOM 452 CD1 LEU A 45 0.997 -7.511 13.863 1.00 11.67 C ATOM 453 CD2 LEU A 45 2.415 -9.186 12.691 1.00 11.81 C ATOM 454 H LEU A 45 -1.983 -11.360 12.782 1.00 0.00 H ATOM 455 N MET A 46 -2.429 -7.553 11.578 1.00 8.39 N ATOM 456 CA MET A 46 -2.910 -6.933 10.341 1.00 8.42 C ATOM 457 C MET A 46 -2.084 -5.693 10.009 1.00 7.59 C ATOM 458 O MET A 46 -1.470 -5.104 10.890 1.00 7.81 O ATOM 459 CB MET A 46 -4.376 -6.504 10.480 1.00 9.45 C ATOM 460 CG MET A 46 -5.332 -7.598 10.938 1.00 9.63 C ATOM 461 SD MET A 46 -5.537 -8.923 9.738 1.00 8.79 S ATOM 462 CE MET A 46 -6.320 -8.046 8.387 1.00 12.82 C ATOM 463 H MET A 46 -2.551 -7.034 12.471 1.00 0.00 H ATOM 464 N SER A 47 -2.113 -5.294 8.737 1.00 7.62 N ATOM 465 CA SER A 47 -1.426 -4.105 8.254 1.00 7.54 C ATOM 466 C SER A 47 -2.348 -3.263 7.397 1.00 8.11 C ATOM 467 O SER A 47 -3.104 -3.793 6.578 1.00 8.23 O ATOM 468 CB SER A 47 -0.253 -4.531 7.394 1.00 9.02 C ATOM 469 OG SER A 47 0.249 -3.423 6.672 1.00 10.07 O ATOM 470 HG SER A 47 1.014 -3.713 6.115 1.00 0.00 H ATOM 471 H SER A 47 -2.655 -5.862 8.054 1.00 0.00 H ATOM 472 N ASP A 48 -2.267 -1.949 7.570 1.00 8.63 N ATOM 473 CA ASP A 48 -2.985 -1.037 6.681 1.00 10.19 C ATOM 474 C ASP A 48 -2.024 -0.354 5.709 1.00 11.27 C ATOM 475 O ASP A 48 -2.404 0.605 5.036 1.00 13.18 O ATOM 476 CB ASP A 48 -3.807 -0.001 7.468 1.00 10.86 C ATOM 477 CG ASP A 48 -2.956 1.038 8.165 1.00 11.50 C ATOM 478 OD1 ASP A 48 -1.715 0.947 8.118 1.00 11.53 O ATOM 479 OD2 ASP A 48 -3.547 1.961 8.776 1.00 12.25 O ATOM 480 H ASP A 48 -1.688 -1.565 8.344 1.00 0.00 H ATOM 481 N GLY A 49 -0.782 -0.831 5.646 1.00 10.98 N ATOM 482 CA GLY A 49 0.244 -0.245 4.797 1.00 13.94 C ATOM 483 C GLY A 49 1.197 0.664 5.557 1.00 16.29 C ATOM 484 O GLY A 49 2.387 0.729 5.233 1.00 18.27 O ATOM 485 H GLY A 49 -0.535 -1.657 6.228 1.00 0.00 H ATOM 486 N LEU A 50 0.681 1.368 6.560 1.00 14.57 N ATOM 487 CA LEU A 50 1.493 2.277 7.373 1.00 14.66 C ATOM 488 C LEU A 50 1.846 1.648 8.701 1.00 12.38 C ATOM 489 O LEU A 50 2.979 1.755 9.176 1.00 13.56 O ATOM 490 CB LEU A 50 0.741 3.572 7.668 1.00 17.71 C ATOM 491 CG LEU A 50 0.450 4.533 6.521 1.00 19.80 C ATOM 492 CD1 LEU A 50 -0.272 5.760 7.065 1.00 19.05 C ATOM 493 CD2 LEU A 50 1.728 4.927 5.807 1.00 20.30 C ATOM 494 H LEU A 50 -0.332 1.270 6.774 1.00 0.00 H ATOM 495 N ASN A 51 0.834 1.021 9.304 1.00 12.22 N ATOM 496 CA ASN A 51 0.961 0.383 10.603 1.00 11.48 C ATOM 497 C ASN A 51 0.582 -1.083 10.564 1.00 9.55 C ATOM 498 O ASN A 51 -0.212 -1.518 9.729 1.00 9.26 O ATOM 499 CB ASN A 51 0.039 1.040 11.631 1.00 12.39 C ATOM 500 CG ASN A 51 0.514 2.405 12.079 1.00 13.68 C ATOM 501 OD1 ASN A 51 -0.191 3.391 11.907 1.00 14.87 O ATOM 502 ND2 ASN A 51 1.692 2.461 12.686 1.00 13.17 N ATOM 503 HD22 ASN A 51 2.255 1.595 12.809 1.00 0.00 H ATOM 504 HD21 ASN A 51 2.052 3.370 13.039 1.00 0.00 H ATOM 505 H ASN A 51 -0.087 0.988 8.822 1.00 0.00 H ATOM 506 N THR A 52 1.153 -1.829 11.500 1.00 10.73 N ATOM 507 CA THR A 52 0.584 -3.111 11.888 1.00 11.19 C ATOM 508 C THR A 52 -0.054 -2.976 13.266 1.00 11.14 C ATOM 509 O THR A 52 0.303 -2.090 14.056 1.00 12.29 O ATOM 510 CB THR A 52 1.613 -4.251 11.921 1.00 12.19 C ATOM 511 OG1 THR A 52 2.625 -3.959 12.891 1.00 13.13 O ATOM 512 CG2 THR A 52 2.250 -4.456 10.557 1.00 14.18 C ATOM 513 HG1 THR A 52 3.286 -4.696 12.909 1.00 0.00 H ATOM 514 H THR A 52 2.021 -1.493 11.964 1.00 0.00 H ATOM 515 N LEU A 53 -1.007 -3.860 13.539 1.00 11.06 N ATOM 516 CA LEU A 53 -1.655 -3.943 14.841 1.00 11.89 C ATOM 517 C LEU A 53 -1.900 -5.421 15.123 1.00 10.47 C ATOM 518 O LEU A 53 -2.361 -6.151 14.255 1.00 9.07 O ATOM 519 CB LEU A 53 -2.962 -3.151 14.832 1.00 13.14 C ATOM 520 CG LEU A 53 -3.669 -2.999 16.181 1.00 16.55 C ATOM 521 CD1 LEU A 53 -2.978 -1.968 17.051 1.00 19.71 C ATOM 522 CD2 LEU A 53 -5.126 -2.621 15.971 1.00 19.51 C ATOM 523 H LEU A 53 -1.303 -4.520 12.792 1.00 0.00 H ATOM 524 N SER A 54 -1.586 -5.853 16.338 1.00 11.01 N ATOM 525 CA SER A 54 -1.616 -7.267 16.691 1.00 11.90 C ATOM 526 C SER A 54 -2.879 -7.691 17.432 1.00 11.36 C ATOM 527 O SER A 54 -3.047 -8.869 17.731 1.00 12.70 O ATOM 528 CB SER A 54 -0.410 -7.606 17.570 1.00 15.27 C ATOM 529 OG SER A 54 -0.595 -7.104 18.877 1.00 16.84 O ATOM 530 HG SER A 54 -0.700 -6.120 18.840 1.00 0.00 H ATOM 531 H SER A 54 -1.309 -5.160 17.062 1.00 0.00 H ATOM 532 N SER A 55 -3.754 -6.743 17.742 1.00 11.02 N ATOM 533 CA SER A 55 -4.893 -7.019 18.616 1.00 13.43 C ATOM 534 C SER A 55 -6.207 -7.274 17.875 1.00 13.29 C ATOM 535 O SER A 55 -7.282 -6.949 18.362 1.00 15.68 O ATOM 536 CB SER A 55 -5.058 -5.880 19.620 1.00 18.35 C ATOM 537 OG SER A 55 -5.006 -4.634 18.958 1.00 23.35 O ATOM 538 HG SER A 55 -5.114 -3.905 19.619 1.00 0.00 H ATOM 539 H SER A 55 -3.627 -5.786 17.356 1.00 0.00 H ATOM 540 N PHE A 56 -6.124 -7.897 16.711 1.00 11.22 N ATOM 541 CA PHE A 56 -7.312 -8.341 16.005 1.00 10.38 C ATOM 542 C PHE A 56 -7.651 -9.764 16.402 1.00 10.65 C ATOM 543 O PHE A 56 -6.762 -10.607 16.544 1.00 10.78 O ATOM 544 CB PHE A 56 -7.084 -8.306 14.500 1.00 10.18 C ATOM 545 CG PHE A 56 -6.991 -6.927 13.928 1.00 10.91 C ATOM 546 CD1 PHE A 56 -8.127 -6.245 13.537 1.00 11.00 C ATOM 547 CD2 PHE A 56 -5.760 -6.313 13.761 1.00 14.31 C ATOM 548 CE1 PHE A 56 -8.038 -4.980 12.983 1.00 11.25 C ATOM 549 CE2 PHE A 56 -5.675 -5.048 13.216 1.00 15.36 C ATOM 550 CZ PHE A 56 -6.809 -4.382 12.833 1.00 13.67 C ATOM 551 H PHE A 56 -5.188 -8.072 16.293 1.00 0.00 H ATOM 552 N MET A 57 -8.946 -10.014 16.585 1.00 11.07 N ATOM 553 CA MET A 57 -9.456 -11.361 16.830 1.00 12.23 C ATOM 554 C MET A 57 -10.575 -11.668 15.856 1.00 11.84 C ATOM 555 O MET A 57 -11.434 -10.829 15.594 1.00 12.32 O ATOM 556 CB MET A 57 -9.974 -11.539 18.255 1.00 14.19 C ATOM 557 CG MET A 57 -10.307 -13.002 18.572 1.00 17.41 C ATOM 558 SD MET A 57 -10.830 -13.313 20.267 1.00 23.52 S ATOM 559 CE MET A 57 -9.368 -12.805 21.169 1.00 78.64 C ATOM 560 H MET A 57 -9.619 -9.222 16.552 1.00 0.00 H ATOM 561 N LEU A 58 -10.563 -12.880 15.332 1.00 11.62 N ATOM 562 CA LEU A 58 -11.611 -13.319 14.444 1.00 12.16 C ATOM 563 C LEU A 58 -12.827 -13.732 15.259 1.00 11.61 C ATOM 564 O LEU A 58 -12.701 -14.461 16.229 1.00 12.06 O ATOM 565 CB LEU A 58 -11.085 -14.503 13.647 1.00 15.18 C ATOM 566 CG LEU A 58 -11.709 -14.839 12.308 1.00 18.40 C ATOM 567 CD1 LEU A 58 -11.661 -13.669 11.334 1.00 19.73 C ATOM 568 CD2 LEU A 58 -10.974 -16.030 11.743 1.00 17.21 C ATOM 569 H LEU A 58 -9.784 -13.529 15.564 1.00 0.00 H ATOM 570 N ALA A 59 -14.012 -13.267 14.875 1.00 12.09 N ATOM 571 CA ALA A 59 -15.232 -13.804 15.462 1.00 13.32 C ATOM 572 C ALA A 59 -15.269 -15.298 15.153 1.00 12.36 C ATOM 573 O ALA A 59 -14.821 -15.722 14.098 1.00 12.14 O ATOM 574 CB ALA A 59 -16.459 -13.102 14.899 1.00 13.72 C ATOM 575 H ALA A 59 -14.068 -12.519 14.155 1.00 0.00 H ATOM 576 N THR A 60 -15.785 -16.092 16.084 1.00 12.76 N ATOM 577 CA THR A 60 -15.773 -17.542 15.920 1.00 13.69 C ATOM 578 C THR A 60 -16.492 -17.970 14.649 1.00 13.75 C ATOM 579 O THR A 60 -16.113 -18.963 14.031 1.00 14.39 O ATOM 580 CB THR A 60 -16.401 -18.269 17.129 1.00 18.50 C ATOM 581 OG1 THR A 60 -17.779 -17.900 17.265 1.00 25.90 O ATOM 582 CG2 THR A 60 -15.653 -17.918 18.392 1.00 18.20 C ATOM 583 HG1 THR A 60 -17.845 -16.922 17.403 1.00 0.00 H ATOM 584 H THR A 60 -16.203 -15.675 16.940 1.00 0.00 H ATOM 585 N GLN A 61 -17.518 -17.221 14.250 1.00 14.18 N ATOM 586 CA GLN A 61 -18.262 -17.536 13.034 1.00 16.61 C ATOM 587 C GLN A 61 -17.385 -17.503 11.782 1.00 16.03 C ATOM 588 O GLN A 61 -17.754 -18.081 10.760 1.00 17.82 O ATOM 589 CB GLN A 61 -19.446 -16.574 12.869 1.00 18.87 C ATOM 590 CG GLN A 61 -19.050 -15.109 12.728 1.00 22.63 C ATOM 591 CD GLN A 61 -20.242 -14.169 12.746 1.00 27.68 C ATOM 592 OE1 GLN A 61 -21.364 -14.572 13.060 1.00 31.66 O ATOM 593 NE2 GLN A 61 -20.002 -12.906 12.407 1.00 24.29 N ATOM 594 HE22 GLN A 61 -19.039 -12.611 12.149 1.00 0.00 H ATOM 595 HE21 GLN A 61 -20.778 -12.213 12.400 1.00 0.00 H ATOM 596 H GLN A 61 -17.795 -16.394 14.817 1.00 0.00 H ATOM 597 N LEU A 62 -16.242 -16.828 11.856 1.00 13.76 N ATOM 598 CA LEU A 62 -15.328 -16.744 10.719 1.00 13.83 C ATOM 599 C LEU A 62 -14.200 -17.786 10.752 1.00 13.46 C ATOM 600 O LEU A 62 -13.401 -17.866 9.816 1.00 12.07 O ATOM 601 CB LEU A 62 -14.729 -15.341 10.630 1.00 14.99 C ATOM 602 CG LEU A 62 -15.686 -14.159 10.447 1.00 17.71 C ATOM 603 CD1 LEU A 62 -14.889 -12.864 10.314 1.00 19.92 C ATOM 604 CD2 LEU A 62 -16.588 -14.358 9.248 1.00 20.85 C ATOM 605 H LEU A 62 -15.992 -16.348 12.744 1.00 0.00 H ATOM 606 N ASN A 63 -14.144 -18.601 11.803 1.00 12.80 N ATOM 607 CA ASN A 63 -13.109 -19.635 11.894 1.00 12.41 C ATOM 608 C ASN A 63 -12.939 -20.495 10.634 1.00 11.88 C ATOM 609 O ASN A 63 -11.808 -20.834 10.270 1.00 11.88 O ATOM 610 CB ASN A 63 -13.349 -20.542 13.096 1.00 12.58 C ATOM 611 CG ASN A 63 -12.931 -19.903 14.401 1.00 12.43 C ATOM 612 OD1 ASN A 63 -12.508 -18.750 14.446 1.00 12.48 O ATOM 613 ND2 ASN A 63 -13.053 -20.660 15.479 1.00 13.49 N ATOM 614 HD22 ASN A 63 -13.416 -21.631 15.394 1.00 0.00 H ATOM 615 HD21 ASN A 63 -12.786 -20.284 16.411 1.00 0.00 H ATOM 616 H ASN A 63 -14.842 -18.503 12.568 1.00 0.00 H ATOM 617 N PRO A 64 -14.048 -20.850 9.949 1.00 12.56 N ATOM 618 CA PRO A 64 -13.901 -21.658 8.731 1.00 13.40 C ATOM 619 C PRO A 64 -12.978 -21.046 7.681 1.00 12.24 C ATOM 620 O PRO A 64 -12.342 -21.796 6.944 1.00 13.32 O ATOM 621 CB PRO A 64 -15.340 -21.781 8.215 1.00 15.99 C ATOM 622 CG PRO A 64 -16.161 -21.720 9.456 1.00 18.09 C ATOM 623 CD PRO A 64 -15.468 -20.692 10.313 1.00 13.94 C ATOM 624 N LEU A 65 -12.896 -19.726 7.613 1.00 11.97 N ATOM 625 CA LEU A 65 -12.018 -19.065 6.649 1.00 12.09 C ATOM 626 C LEU A 65 -10.562 -19.428 6.884 1.00 12.08 C ATOM 627 O LEU A 65 -9.786 -19.564 5.943 1.00 12.38 O ATOM 628 CB LEU A 65 -12.154 -17.544 6.729 1.00 12.30 C ATOM 629 CG LEU A 65 -13.544 -16.934 6.553 1.00 13.41 C ATOM 630 CD1 LEU A 65 -13.457 -15.414 6.581 1.00 14.77 C ATOM 631 CD2 LEU A 65 -14.182 -17.411 5.260 1.00 16.35 C ATOM 632 H LEU A 65 -13.469 -19.147 8.260 1.00 0.00 H ATOM 633 N VAL A 66 -10.190 -19.559 8.152 1.00 12.26 N ATOM 634 CA VAL A 66 -8.826 -19.934 8.513 1.00 11.83 C ATOM 635 C VAL A 66 -8.615 -21.423 8.304 1.00 13.85 C ATOM 636 O VAL A 66 -7.620 -21.843 7.721 1.00 14.32 O ATOM 637 CB VAL A 66 -8.510 -19.561 9.987 1.00 14.21 C ATOM 638 CG1 VAL A 66 -7.162 -20.125 10.426 1.00 15.23 C ATOM 639 CG2 VAL A 66 -8.532 -18.050 10.167 1.00 15.29 C ATOM 640 H VAL A 66 -10.887 -19.391 8.906 1.00 0.00 H ATOM 641 N GLU A 67 -9.582 -22.209 8.741 1.00 13.60 N ATOM 642 CA GLU A 67 -9.435 -23.653 8.757 1.00 16.18 C ATOM 643 C GLU A 67 -9.510 -24.291 7.365 1.00 15.71 C ATOM 644 O GLU A 67 -9.071 -25.427 7.173 1.00 17.52 O ATOM 645 CB GLU A 67 -10.466 -24.227 9.724 1.00 18.46 C ATOM 646 CG GLU A 67 -10.161 -23.775 11.153 1.00 17.62 C ATOM 647 CD GLU A 67 -11.283 -24.014 12.139 1.00 23.56 C ATOM 648 OE1 GLU A 67 -12.381 -24.436 11.723 1.00 27.20 O ATOM 649 OE2 GLU A 67 -11.056 -23.761 13.344 1.00 22.90 O ATOM 650 H GLU A 67 -10.468 -21.784 9.081 1.00 0.00 H ATOM 651 N GLU A 68 -10.061 -23.547 6.407 1.00 14.72 N ATOM 652 CA GLU A 68 -10.091 -23.960 5.000 1.00 16.03 C ATOM 653 C GLU A 68 -9.114 -23.143 4.128 1.00 17.63 C ATOM 654 O GLU A 68 -9.056 -23.317 2.904 1.00 17.46 O ATOM 655 CB GLU A 68 -11.531 -23.913 4.482 1.00 16.91 C ATOM 656 CG GLU A 68 -12.476 -24.776 5.333 1.00 17.22 C ATOM 657 CD GLU A 68 -13.835 -25.038 4.700 1.00 21.47 C ATOM 658 OE1 GLU A 68 -14.825 -25.171 5.454 1.00 22.40 O ATOM 659 OE2 GLU A 68 -13.910 -25.144 3.457 1.00 25.98 O ATOM 660 H GLU A 68 -10.488 -22.635 6.668 1.00 0.00 H ATOM 661 N GLU A 69 -8.344 -22.274 4.788 1.00 18.21 N ATOM 662 CA GLU A 69 -7.164 -21.595 4.225 1.00 19.26 C ATOM 663 C GLU A 69 -7.405 -20.397 3.296 1.00 22.78 C ATOM 664 O GLU A 69 -6.447 -19.856 2.740 1.00 29.84 O ATOM 665 CB GLU A 69 -6.218 -22.593 3.544 1.00 21.21 C ATOM 666 CG GLU A 69 -5.715 -23.692 4.468 1.00 25.25 C ATOM 667 CD GLU A 69 -4.605 -24.519 3.847 1.00 32.94 C ATOM 668 OE1 GLU A 69 -4.818 -25.728 3.622 1.00 37.16 O ATOM 669 OE2 GLU A 69 -3.517 -23.960 3.590 1.00 37.63 O ATOM 670 H GLU A 69 -8.597 -22.060 5.774 1.00 0.00 H ATOM 671 N GLN A 70 -8.651 -19.959 3.132 1.00 18.63 N ATOM 672 CA GLN A 70 -8.907 -18.759 2.337 1.00 19.39 C ATOM 673 C GLN A 70 -8.323 -17.536 3.027 1.00 16.22 C ATOM 674 O GLN A 70 -7.892 -16.586 2.371 1.00 18.98 O ATOM 675 CB GLN A 70 -10.401 -18.531 2.105 1.00 22.99 C ATOM 676 CG GLN A 70 -11.050 -19.510 1.150 1.00 24.59 C ATOM 677 CD GLN A 70 -11.686 -20.682 1.854 1.00 24.93 C ATOM 678 OE1 GLN A 70 -11.491 -20.886 3.054 1.00 24.73 O ATOM 679 NE2 GLN A 70 -12.462 -21.464 1.110 1.00 32.86 N ATOM 680 HE22 GLN A 70 -12.598 -21.253 0.101 1.00 0.00 H ATOM 681 HE21 GLN A 70 -12.933 -22.287 1.537 1.00 0.00 H ATOM 682 H GLN A 70 -9.443 -20.471 3.570 1.00 0.00 H ATOM 683 N LEU A 71 -8.320 -17.562 4.356 1.00 15.80 N ATOM 684 CA LEU A 71 -7.731 -16.497 5.152 1.00 16.46 C ATOM 685 C LEU A 71 -6.389 -16.979 5.692 1.00 16.42 C ATOM 686 O LEU A 71 -6.337 -17.841 6.570 1.00 16.23 O ATOM 687 CB LEU A 71 -8.666 -16.129 6.301 1.00 18.51 C ATOM 688 CG LEU A 71 -8.334 -14.861 7.084 1.00 20.33 C ATOM 689 CD1 LEU A 71 -8.473 -13.627 6.213 1.00 19.72 C ATOM 690 CD2 LEU A 71 -9.238 -14.755 8.302 1.00 24.29 C ATOM 691 H LEU A 71 -8.754 -18.372 4.843 1.00 0.00 H ATOM 692 N SER A 72 -5.303 -16.430 5.151 1.00 15.81 N ATOM 693 CA SER A 72 -3.957 -16.787 5.590 1.00 15.59 C ATOM 694 C SER A 72 -2.983 -15.637 5.348 1.00 12.36 C ATOM 695 O SER A 72 -3.304 -14.659 4.678 1.00 11.85 O ATOM 696 CB SER A 72 -3.465 -18.038 4.871 1.00 21.50 C ATOM 697 OG SER A 72 -3.247 -17.785 3.498 1.00 23.01 O ATOM 698 HG SER A 72 -4.095 -17.492 3.079 1.00 0.00 H ATOM 699 H SER A 72 -5.417 -15.726 4.394 1.00 0.00 H ATOM 700 N SER A 73 -1.785 -15.775 5.898 1.00 12.63 N ATOM 701 CA SER A 73 -0.767 -14.739 5.803 1.00 12.48 C ATOM 702 C SER A 73 -0.527 -14.284 4.367 1.00 11.39 C ATOM 703 O SER A 73 -0.346 -15.103 3.478 1.00 12.45 O ATOM 704 CB SER A 73 0.535 -15.243 6.420 1.00 17.57 C ATOM 705 OG SER A 73 0.337 -15.566 7.785 1.00 24.07 O ATOM 706 HG SER A 73 -0.352 -16.273 7.859 1.00 0.00 H ATOM 707 H SER A 73 -1.565 -16.651 6.414 1.00 0.00 H ATOM 708 N ASN A 74 -0.533 -12.967 4.199 1.00 9.65 N ATOM 709 CA ASN A 74 -0.350 -12.217 2.951 1.00 10.82 C ATOM 710 C ASN A 74 -1.642 -11.862 2.245 1.00 9.47 C ATOM 711 O ASN A 74 -1.640 -10.994 1.376 1.00 10.26 O ATOM 712 CB ASN A 74 0.607 -12.871 1.952 1.00 12.59 C ATOM 713 CG ASN A 74 2.026 -12.920 2.453 1.00 15.27 C ATOM 714 OD1 ASN A 74 2.458 -12.036 3.188 1.00 16.62 O ATOM 715 ND2 ASN A 74 2.763 -13.947 2.052 1.00 15.91 N ATOM 716 HD22 ASN A 74 2.351 -14.671 1.429 1.00 0.00 H ATOM 717 HD21 ASN A 74 3.753 -14.029 2.361 1.00 0.00 H ATOM 718 H ASN A 74 -0.686 -12.398 5.056 1.00 0.00 H ATOM 719 N CYS A 75 -2.752 -12.497 2.598 1.00 8.83 N ATOM 720 CA CYS A 75 -3.979 -12.172 1.889 1.00 9.55 C ATOM 721 C CYS A 75 -4.437 -10.748 2.217 1.00 8.88 C ATOM 722 O CYS A 75 -4.088 -10.191 3.257 1.00 9.26 O ATOM 723 CB CYS A 75 -5.076 -13.190 2.172 1.00 10.38 C ATOM 724 SG CYS A 75 -5.983 -13.004 3.679 1.00 12.86 S ATOM 725 H CYS A 75 -2.745 -13.206 3.359 1.00 0.00 H ATOM 726 N VAL A 76 -5.209 -10.169 1.304 1.00 9.03 N ATOM 727 CA VAL A 76 -5.741 -8.823 1.456 1.00 9.39 C ATOM 728 C VAL A 76 -7.246 -8.939 1.607 1.00 9.09 C ATOM 729 O VAL A 76 -7.914 -9.585 0.798 1.00 9.79 O ATOM 730 CB VAL A 76 -5.343 -7.926 0.270 1.00 10.26 C ATOM 731 CG1 VAL A 76 -6.086 -6.598 0.323 1.00 11.60 C ATOM 732 CG2 VAL A 76 -3.837 -7.707 0.273 1.00 10.50 C ATOM 733 H VAL A 76 -5.444 -10.701 0.442 1.00 0.00 H ATOM 734 N CYS A 77 -7.769 -8.302 2.650 1.00 8.80 N ATOM 735 CA CYS A 77 -9.186 -8.430 2.928 1.00 9.37 C ATOM 736 C CYS A 77 -9.839 -7.105 3.267 1.00 9.52 C ATOM 737 O CYS A 77 -9.197 -6.158 3.728 1.00 10.34 O ATOM 738 CB CYS A 77 -9.417 -9.448 4.045 1.00 9.18 C ATOM 739 SG CYS A 77 -8.574 -9.057 5.581 1.00 11.05 S ATOM 740 H CYS A 77 -7.166 -7.716 3.262 1.00 0.00 H ATOM 741 N GLN A 78 -11.135 -7.050 2.993 1.00 9.88 N ATOM 742 CA GLN A 78 -11.935 -5.897 3.353 1.00 9.87 C ATOM 743 C GLN A 78 -12.749 -6.246 4.590 1.00 9.72 C ATOM 744 O GLN A 78 -13.438 -7.269 4.630 1.00 9.99 O ATOM 745 CB GLN A 78 -12.865 -5.471 2.221 1.00 11.23 C ATOM 746 CG GLN A 78 -13.619 -4.201 2.574 1.00 11.91 C ATOM 747 CD GLN A 78 -14.175 -3.493 1.378 1.00 15.12 C ATOM 748 OE1 GLN A 78 -14.485 -4.108 0.355 1.00 18.18 O ATOM 749 NE2 GLN A 78 -14.314 -2.183 1.492 1.00 14.77 N ATOM 750 HE22 GLN A 78 -14.039 -1.706 2.374 1.00 0.00 H ATOM 751 HE21 GLN A 78 -14.698 -1.630 0.699 1.00 0.00 H ATOM 752 H GLN A 78 -11.587 -7.852 2.509 1.00 0.00 H ATOM 753 N ILE A 79 -12.675 -5.400 5.603 1.00 8.94 N ATOM 754 CA ILE A 79 -13.415 -5.617 6.827 1.00 9.34 C ATOM 755 C ILE A 79 -14.772 -4.947 6.680 1.00 10.79 C ATOM 756 O ILE A 79 -14.882 -3.721 6.637 1.00 12.38 O ATOM 757 CB ILE A 79 -12.680 -5.023 8.021 1.00 9.97 C ATOM 758 CG1 ILE A 79 -11.239 -5.539 8.088 1.00 11.36 C ATOM 759 CG2 ILE A 79 -13.415 -5.361 9.306 1.00 11.10 C ATOM 760 CD1 ILE A 79 -11.103 -7.042 7.915 1.00 13.73 C ATOM 761 H ILE A 79 -12.070 -4.558 5.518 1.00 0.00 H ATOM 762 N HIS A 80 -15.820 -5.752 6.594 1.00 10.71 N ATOM 763 CA HIS A 80 -17.168 -5.238 6.395 1.00 11.04 C ATOM 764 C HIS A 80 -17.876 -4.915 7.702 1.00 11.98 C ATOM 765 O HIS A 80 -18.770 -4.077 7.707 1.00 13.49 O ATOM 766 CB HIS A 80 -17.985 -6.228 5.569 1.00 10.74 C ATOM 767 CG HIS A 80 -17.575 -6.272 4.133 1.00 12.87 C ATOM 768 ND1 HIS A 80 -17.901 -5.274 3.241 1.00 15.11 N ATOM 769 CD2 HIS A 80 -16.840 -7.173 3.439 1.00 13.66 C ATOM 770 CE1 HIS A 80 -17.399 -5.565 2.056 1.00 14.58 C ATOM 771 NE2 HIS A 80 -16.747 -6.712 2.149 1.00 13.56 N ATOM 772 H HIS A 80 -15.676 -6.779 6.671 1.00 0.00 H ATOM 773 N ARG A 81 -17.494 -5.568 8.796 1.00 10.63 N ATOM 774 CA ARG A 81 -18.084 -5.305 10.098 1.00 10.51 C ATOM 775 C ARG A 81 -17.094 -5.683 11.179 1.00 10.07 C ATOM 776 O ARG A 81 -16.515 -6.763 11.147 1.00 10.27 O ATOM 777 CB ARG A 81 -19.381 -6.091 10.292 1.00 12.35 C ATOM 778 CG ARG A 81 -20.139 -5.696 11.565 1.00 16.83 C ATOM 779 CD ARG A 81 -21.610 -6.105 11.529 1.00 20.44 C ATOM 780 NE ARG A 81 -21.782 -7.553 11.458 1.00 26.69 N ATOM 781 CZ ARG A 81 -21.888 -8.358 12.512 1.00 32.77 C ATOM 782 NH1 ARG A 81 -21.837 -7.872 13.746 1.00 34.81 N ATOM 783 NH2 ARG A 81 -22.043 -9.664 12.331 1.00 35.82 N ATOM 784 HE ARG A 81 -21.825 -7.987 10.514 1.00 0.00 H ATOM 785 HH12 ARG A 81 -21.921 -8.513 14.561 1.00 0.00 H ATOM 786 HH11 ARG A 81 -21.713 -6.851 13.898 1.00 0.00 H ATOM 787 HH22 ARG A 81 -22.126 -10.297 13.152 1.00 0.00 H ATOM 788 HH21 ARG A 81 -22.081 -10.055 11.368 1.00 0.00 H ATOM 789 H ARG A 81 -16.749 -6.290 8.717 1.00 0.00 H ATOM 790 N PHE A 82 -16.894 -4.780 12.135 1.00 10.44 N ATOM 791 CA PHE A 82 -16.019 -5.051 13.266 1.00 11.03 C ATOM 792 C PHE A 82 -16.512 -4.267 14.458 1.00 12.37 C ATOM 793 O PHE A 82 -17.256 -3.301 14.318 1.00 12.82 O ATOM 794 CB PHE A 82 -14.562 -4.681 12.966 1.00 11.23 C ATOM 795 CG PHE A 82 -14.327 -3.208 12.786 1.00 12.46 C ATOM 796 CD1 PHE A 82 -14.528 -2.608 11.560 1.00 13.77 C ATOM 797 CD2 PHE A 82 -13.892 -2.429 13.839 1.00 14.11 C ATOM 798 CE1 PHE A 82 -14.306 -1.248 11.387 1.00 15.22 C ATOM 799 CE2 PHE A 82 -13.673 -1.073 13.673 1.00 15.86 C ATOM 800 CZ PHE A 82 -13.875 -0.489 12.442 1.00 15.26 C ATOM 801 H PHE A 82 -17.374 -3.859 12.073 1.00 0.00 H ATOM 802 N ILE A 83 -16.097 -4.705 15.636 1.00 12.50 N ATOM 803 CA ILE A 83 -16.343 -3.947 16.849 1.00 14.19 C ATOM 804 C ILE A 83 -15.059 -3.910 17.656 1.00 13.26 C ATOM 805 O ILE A 83 -14.148 -4.706 17.428 1.00 15.26 O ATOM 806 CB ILE A 83 -17.494 -4.542 17.668 1.00 20.23 C ATOM 807 CG1 ILE A 83 -17.155 -5.954 18.125 1.00 21.82 C ATOM 808 CG2 ILE A 83 -18.783 -4.551 16.856 1.00 23.06 C ATOM 809 CD1 ILE A 83 -16.753 -6.042 19.563 1.00 33.97 C ATOM 810 H ILE A 83 -15.585 -5.609 15.693 1.00 0.00 H ATOM 811 N VAL A 84 -14.980 -2.961 18.576 1.00 13.04 N ATOM 812 CA VAL A 84 -13.832 -2.838 19.455 1.00 13.40 C ATOM 813 C VAL A 84 -14.293 -3.133 20.872 1.00 13.35 C ATOM 814 O VAL A 84 -15.307 -2.605 21.318 1.00 15.20 O ATOM 815 CB VAL A 84 -13.215 -1.435 19.367 1.00 16.57 C ATOM 816 CG1 VAL A 84 -12.041 -1.302 20.328 1.00 20.74 C ATOM 817 CG2 VAL A 84 -12.764 -1.154 17.943 1.00 16.48 C ATOM 818 H VAL A 84 -15.764 -2.284 18.671 1.00 0.00 H ATOM 819 N ASN A 85 -13.563 -3.995 21.567 1.00 11.57 N ATOM 820 CA ASN A 85 -13.861 -4.310 22.944 1.00 12.11 C ATOM 821 C ASN A 85 -12.677 -3.971 23.817 1.00 12.01 C ATOM 822 O ASN A 85 -11.532 -4.190 23.435 1.00 14.60 O ATOM 823 CB ASN A 85 -14.179 -5.792 23.083 1.00 14.26 C ATOM 824 CG ASN A 85 -14.750 -6.114 24.425 1.00 18.93 C ATOM 825 OD1 ASN A 85 -15.677 -5.444 24.879 1.00 20.75 O ATOM 826 ND2 ASN A 85 -14.186 -7.108 25.096 1.00 19.08 N ATOM 827 HD22 ASN A 85 -13.405 -7.646 24.670 1.00 0.00 H ATOM 828 HD21 ASN A 85 -14.525 -7.350 26.049 1.00 0.00 H ATOM 829 H ASN A 85 -12.753 -4.457 21.107 1.00 0.00 H ATOM 830 N THR A 86 -12.952 -3.445 24.996 1.00 12.14 N ATOM 831 CA THR A 86 -11.908 -3.030 25.919 1.00 12.61 C ATOM 832 C THR A 86 -11.864 -3.990 27.094 1.00 13.28 C ATOM 833 O THR A 86 -12.878 -4.260 27.741 1.00 13.93 O ATOM 834 CB THR A 86 -12.163 -1.603 26.398 1.00 13.32 C ATOM 835 OG1 THR A 86 -12.236 -0.746 25.254 1.00 12.81 O ATOM 836 CG2 THR A 86 -11.053 -1.114 27.311 1.00 13.95 C ATOM 837 HG1 THR A 86 -12.401 0.184 25.550 1.00 0.00 H ATOM 838 H THR A 86 -13.947 -3.324 25.274 1.00 0.00 H ATOM 839 N LEU A 87 -10.673 -4.516 27.359 1.00 13.23 N ATOM 840 CA LEU A 87 -10.461 -5.455 28.447 1.00 14.32 C ATOM 841 C LEU A 87 -10.293 -4.715 29.758 1.00 15.99 C ATOM 842 O LEU A 87 -10.079 -3.497 29.789 1.00 15.51 O ATOM 843 CB LEU A 87 -9.215 -6.287 28.160 1.00 16.27 C ATOM 844 CG LEU A 87 -9.193 -7.037 26.830 1.00 18.96 C ATOM 845 CD1 LEU A 87 -7.943 -7.895 26.773 1.00 22.64 C ATOM 846 CD2 LEU A 87 -10.444 -7.886 26.636 1.00 21.49 C ATOM 847 H LEU A 87 -9.863 -4.246 26.766 1.00 0.00 H ATOM 848 N LYS A 88 -10.374 -5.474 30.842 1.00 16.59 N ATOM 849 CA LYS A 88 -10.210 -4.937 32.187 1.00 19.45 C ATOM 850 C LYS A 88 -8.928 -4.138 32.346 1.00 17.98 C ATOM 851 O LYS A 88 -8.896 -3.158 33.092 1.00 18.70 O ATOM 852 CB LYS A 88 -10.162 -6.072 33.214 1.00 22.40 C ATOM 853 CG LYS A 88 -11.490 -6.702 33.573 1.00 33.28 C ATOM 854 CD LYS A 88 -11.315 -7.697 34.723 1.00 39.66 C ATOM 855 CE LYS A 88 -10.442 -8.884 34.325 1.00 48.21 C ATOM 856 NZ LYS A 88 -10.253 -9.859 35.438 1.00 54.15 N ATOM 857 HZ1 LYS A 88 -9.796 -9.382 36.241 1.00 0.00 H ATOM 858 HZ2 LYS A 88 -11.179 -10.229 35.734 1.00 0.00 H ATOM 859 HZ3 LYS A 88 -9.653 -10.643 35.112 1.00 0.00 H ATOM 860 H LYS A 88 -10.562 -6.491 30.728 1.00 0.00 H ATOM 861 N ASP A 89 -7.867 -4.570 31.668 1.00 18.39 N ATOM 862 CA ASP A 89 -6.556 -3.956 31.858 1.00 19.27 C ATOM 863 C ASP A 89 -6.339 -2.719 30.989 1.00 17.17 C ATOM 864 O ASP A 89 -5.315 -2.045 31.115 1.00 19.32 O ATOM 865 CB ASP A 89 -5.425 -4.979 31.648 1.00 22.52 C ATOM 866 CG ASP A 89 -5.414 -5.591 30.256 1.00 26.00 C ATOM 867 OD1 ASP A 89 -6.026 -5.034 29.325 1.00 23.00 O ATOM 868 OD2 ASP A 89 -4.765 -6.647 30.092 1.00 30.65 O ATOM 869 H ASP A 89 -7.973 -5.355 30.994 1.00 0.00 H ATOM 870 N GLY A 90 -7.305 -2.419 30.123 1.00 15.81 N ATOM 871 CA GLY A 90 -7.264 -1.236 29.279 1.00 15.55 C ATOM 872 C GLY A 90 -6.934 -1.514 27.827 1.00 15.70 C ATOM 873 O GLY A 90 -7.102 -0.653 26.966 1.00 15.78 O ATOM 874 H GLY A 90 -8.123 -3.057 30.047 1.00 0.00 H ATOM 875 N ARG A 91 -6.458 -2.722 27.540 1.00 16.24 N ATOM 876 CA ARG A 91 -6.119 -3.092 26.177 1.00 16.89 C ATOM 877 C ARG A 91 -7.384 -3.195 25.353 1.00 15.54 C ATOM 878 O ARG A 91 -8.430 -3.619 25.843 1.00 16.17 O ATOM 879 CB ARG A 91 -5.363 -4.423 26.135 1.00 21.50 C ATOM 880 CG ARG A 91 -3.951 -4.360 26.690 1.00 31.69 C ATOM 881 CD ARG A 91 -3.271 -5.720 26.602 1.00 41.46 C ATOM 882 NE ARG A 91 -3.863 -6.687 27.524 1.00 49.30 N ATOM 883 CZ ARG A 91 -3.563 -7.982 27.551 1.00 54.55 C ATOM 884 NH1 ARG A 91 -4.156 -8.780 28.429 1.00 56.04 N ATOM 885 NH2 ARG A 91 -2.676 -8.484 26.702 1.00 56.16 N ATOM 886 HE ARG A 91 -4.567 -6.338 28.206 1.00 0.00 H ATOM 887 HH12 ARG A 91 -3.922 -9.793 28.451 1.00 0.00 H ATOM 888 HH11 ARG A 91 -4.854 -8.393 29.095 1.00 0.00 H ATOM 889 HH22 ARG A 91 -2.446 -9.498 26.729 1.00 0.00 H ATOM 890 HH21 ARG A 91 -2.210 -7.864 26.009 1.00 0.00 H ATOM 891 H ARG A 91 -6.326 -3.414 28.305 1.00 0.00 H ATOM 892 N ARG A 92 -7.289 -2.801 24.098 1.00 14.89 N ATOM 893 CA ARG A 92 -8.418 -2.937 23.213 1.00 15.32 C ATOM 894 C ARG A 92 -8.168 -4.000 22.173 1.00 14.82 C ATOM 895 O ARG A 92 -7.043 -4.196 21.705 1.00 17.34 O ATOM 896 CB ARG A 92 -8.756 -1.604 22.588 1.00 16.48 C ATOM 897 CG ARG A 92 -9.484 -0.756 23.593 1.00 19.19 C ATOM 898 CD ARG A 92 -9.653 0.652 23.151 1.00 17.43 C ATOM 899 NE ARG A 92 -10.611 1.351 24.000 1.00 14.69 N ATOM 900 CZ ARG A 92 -10.881 2.644 23.893 1.00 14.67 C ATOM 901 NH1 ARG A 92 -10.252 3.371 22.973 1.00 16.76 N ATOM 902 NH2 ARG A 92 -11.768 3.210 24.687 1.00 14.91 N ATOM 903 HE ARG A 92 -11.110 0.804 24.730 1.00 0.00 H ATOM 904 HH12 ARG A 92 -10.458 4.386 22.882 1.00 0.00 H ATOM 905 HH11 ARG A 92 -9.554 2.924 22.345 1.00 0.00 H ATOM 906 HH22 ARG A 92 -11.974 4.225 24.596 1.00 0.00 H ATOM 907 HH21 ARG A 92 -12.262 2.641 25.404 1.00 0.00 H ATOM 908 H ARG A 92 -6.399 -2.392 23.747 1.00 0.00 H ATOM 909 N VAL A 93 -9.231 -4.718 21.852 1.00 12.86 N ATOM 910 CA VAL A 93 -9.183 -5.759 20.853 1.00 13.05 C ATOM 911 C VAL A 93 -10.225 -5.447 19.792 1.00 11.76 C ATOM 912 O VAL A 93 -11.341 -5.008 20.083 1.00 12.81 O ATOM 913 CB VAL A 93 -9.405 -7.140 21.486 1.00 19.67 C ATOM 914 CG1 VAL A 93 -8.329 -7.415 22.524 1.00 29.06 C ATOM 915 CG2 VAL A 93 -10.769 -7.232 22.123 1.00 21.71 C ATOM 916 H VAL A 93 -10.132 -4.526 22.335 1.00 0.00 H ATOM 917 N VAL A 94 -9.835 -5.642 18.542 1.00 10.42 N ATOM 918 CA VAL A 94 -10.725 -5.421 17.423 1.00 10.14 C ATOM 919 C VAL A 94 -11.249 -6.772 16.969 1.00 10.52 C ATOM 920 O VAL A 94 -10.478 -7.623 16.501 1.00 12.08 O ATOM 921 CB VAL A 94 -9.993 -4.724 16.268 1.00 11.55 C ATOM 922 CG1 VAL A 94 -10.960 -4.397 15.150 1.00 12.12 C ATOM 923 CG2 VAL A 94 -9.292 -3.460 16.768 1.00 14.74 C ATOM 924 H VAL A 94 -8.863 -5.963 18.360 1.00 0.00 H ATOM 925 N ILE A 95 -12.552 -6.981 17.125 1.00 10.68 N ATOM 926 CA ILE A 95 -13.170 -8.238 16.728 1.00 11.27 C ATOM 927 C ILE A 95 -13.708 -8.118 15.308 1.00 10.13 C ATOM 928 O ILE A 95 -14.581 -7.290 15.027 1.00 10.58 O ATOM 929 CB ILE A 95 -14.317 -8.642 17.673 1.00 13.22 C ATOM 930 CG1 ILE A 95 -13.948 -8.372 19.140 1.00 15.88 C ATOM 931 CG2 ILE A 95 -14.677 -10.111 17.447 1.00 13.10 C ATOM 932 CD1 ILE A 95 -12.780 -9.191 19.653 1.00 19.03 C ATOM 933 H ILE A 95 -13.142 -6.231 17.539 1.00 0.00 H ATOM 934 N LEU A 96 -13.174 -8.944 14.416 1.00 9.36 N ATOM 935 CA LEU A 96 -13.588 -8.948 13.025 1.00 9.89 C ATOM 936 C LEU A 96 -14.814 -9.830 12.884 1.00 10.31 C ATOM 937 O LEU A 96 -14.752 -11.034 13.145 1.00 11.87 O ATOM 938 CB LEU A 96 -12.445 -9.466 12.163 1.00 10.72 C ATOM 939 CG LEU A 96 -11.143 -8.683 12.303 1.00 11.15 C ATOM 940 CD1 LEU A 96 -10.049 -9.343 11.486 1.00 13.89 C ATOM 941 CD2 LEU A 96 -11.330 -7.238 11.875 1.00 13.37 C ATOM 942 H LEU A 96 -12.436 -9.609 14.724 1.00 0.00 H ATOM 943 N MET A 97 -15.924 -9.233 12.468 1.00 10.33 N ATOM 944 CA MET A 97 -17.203 -9.934 12.424 1.00 11.36 C ATOM 945 C MET A 97 -17.579 -10.392 11.016 1.00 11.38 C ATOM 946 O MET A 97 -18.151 -11.475 10.833 1.00 12.60 O ATOM 947 CB MET A 97 -18.308 -9.026 12.956 1.00 12.31 C ATOM 948 CG MET A 97 -18.067 -8.506 14.365 1.00 11.92 C ATOM 949 SD MET A 97 -17.954 -9.797 15.607 1.00 20.84 S ATOM 950 CE MET A 97 -19.553 -10.585 15.446 1.00 39.90 C ATOM 951 H MET A 97 -15.881 -8.239 12.165 1.00 0.00 H ATOM 952 N GLU A 98 -17.281 -9.556 10.032 1.00 10.25 N ATOM 953 CA GLU A 98 -17.524 -9.876 8.629 1.00 10.70 C ATOM 954 C GLU A 98 -16.321 -9.417 7.858 1.00 10.27 C ATOM 955 O GLU A 98 -15.876 -8.272 8.022 1.00 10.67 O ATOM 956 CB GLU A 98 -18.745 -9.144 8.082 1.00 12.41 C ATOM 957 CG GLU A 98 -20.065 -9.630 8.615 1.00 16.59 C ATOM 958 CD GLU A 98 -21.237 -8.879 8.013 1.00 21.58 C ATOM 959 OE1 GLU A 98 -21.004 -7.915 7.248 1.00 22.49 O ATOM 960 OE2 GLU A 98 -22.390 -9.255 8.303 1.00 32.64 O ATOM 961 H GLU A 98 -16.858 -8.636 10.269 1.00 0.00 H ATOM 962 N LEU A 99 -15.775 -10.292 7.025 1.00 10.77 N ATOM 963 CA LEU A 99 -14.654 -9.905 6.179 1.00 14.61 C ATOM 964 C LEU A 99 -14.695 -10.648 4.861 1.00 13.40 C ATOM 965 O LEU A 99 -15.200 -11.775 4.764 1.00 15.16 O ATOM 966 CB LEU A 99 -13.306 -10.067 6.885 1.00 25.27 C ATOM 967 CG LEU A 99 -12.672 -11.443 7.089 1.00 22.83 C ATOM 968 CD1 LEU A 99 -12.066 -12.048 5.817 1.00 18.51 C ATOM 969 CD2 LEU A 99 -11.588 -11.331 8.150 1.00 20.45 C ATOM 970 H LEU A 99 -16.149 -11.261 6.975 1.00 0.00 H ATOM 971 N GLU A 100 -14.181 -9.971 3.847 1.00 10.98 N ATOM 972 CA GLU A 100 -14.100 -10.488 2.503 1.00 10.51 C ATOM 973 C GLU A 100 -12.641 -10.598 2.113 1.00 10.62 C ATOM 974 O GLU A 100 -11.873 -9.656 2.286 1.00 12.14 O ATOM 975 CB GLU A 100 -14.799 -9.524 1.551 1.00 11.97 C ATOM 976 CG GLU A 100 -14.579 -9.829 0.082 1.00 14.73 C ATOM 977 CD GLU A 100 -15.286 -8.842 -0.825 1.00 16.23 C ATOM 978 OE1 GLU A 100 -15.312 -9.073 -2.051 1.00 16.75 O ATOM 979 OE2 GLU A 100 -15.816 -7.830 -0.316 1.00 17.34 O ATOM 980 H GLU A 100 -13.816 -9.014 4.029 1.00 0.00 H ATOM 981 N VAL A 101 -12.246 -11.741 1.573 1.00 10.24 N ATOM 982 CA VAL A 101 -10.887 -11.890 1.057 1.00 11.16 C ATOM 983 C VAL A 101 -10.880 -11.379 -0.374 1.00 11.79 C ATOM 984 O VAL A 101 -11.466 -11.998 -1.253 1.00 14.56 O ATOM 985 CB VAL A 101 -10.385 -13.349 1.140 1.00 12.94 C ATOM 986 CG1 VAL A 101 -8.951 -13.451 0.622 1.00 15.55 C ATOM 987 CG2 VAL A 101 -10.477 -13.866 2.558 1.00 15.02 C ATOM 988 H VAL A 101 -12.909 -12.540 1.516 1.00 0.00 H ATOM 989 N LEU A 102 -10.239 -10.239 -0.603 1.00 11.43 N ATOM 990 CA LEU A 102 -10.179 -9.634 -1.927 1.00 11.88 C ATOM 991 C LEU A 102 -9.115 -10.257 -2.819 1.00 12.16 C ATOM 992 O LEU A 102 -9.313 -10.391 -4.023 1.00 13.43 O ATOM 993 CB LEU A 102 -9.898 -8.137 -1.807 1.00 11.66 C ATOM 994 CG LEU A 102 -10.971 -7.295 -1.126 1.00 12.57 C ATOM 995 CD1 LEU A 102 -10.516 -5.848 -1.070 1.00 14.71 C ATOM 996 CD2 LEU A 102 -12.303 -7.410 -1.858 1.00 15.28 C ATOM 997 H LEU A 102 -9.764 -9.762 0.189 1.00 0.00 H ATOM 998 N LYS A 103 -7.974 -10.586 -2.227 1.00 11.80 N ATOM 999 CA LYS A 103 -6.891 -11.254 -2.935 1.00 12.36 C ATOM 1000 C LYS A 103 -6.321 -12.324 -2.037 1.00 12.51 C ATOM 1001 O LYS A 103 -6.044 -12.081 -0.861 1.00 11.81 O ATOM 1002 CB LYS A 103 -5.786 -10.272 -3.302 1.00 13.68 C ATOM 1003 CG LYS A 103 -6.207 -9.193 -4.263 1.00 14.65 C ATOM 1004 CD LYS A 103 -5.048 -8.264 -4.576 1.00 20.72 C ATOM 1005 CE LYS A 103 -4.097 -8.874 -5.591 1.00 25.39 C ATOM 1006 NZ LYS A 103 -4.698 -8.913 -6.952 1.00 26.72 N ATOM 1007 HZ1 LYS A 103 -5.566 -9.485 -6.930 1.00 0.00 H ATOM 1008 HZ2 LYS A 103 -4.927 -7.945 -7.256 1.00 0.00 H ATOM 1009 HZ3 LYS A 103 -4.020 -9.336 -7.617 1.00 0.00 H ATOM 1010 H LYS A 103 -7.849 -10.358 -1.220 1.00 0.00 H ATOM 1011 N SER A 104 -6.150 -13.514 -2.589 1.00 13.28 N ATOM 1012 CA SER A 104 -5.607 -14.621 -1.829 1.00 12.67 C ATOM 1013 C SER A 104 -4.150 -14.391 -1.480 1.00 11.89 C ATOM 1014 O SER A 104 -3.451 -13.618 -2.133 1.00 11.76 O ATOM 1015 CB SER A 104 -5.699 -15.896 -2.650 1.00 14.22 C ATOM 1016 OG SER A 104 -4.774 -15.844 -3.725 1.00 15.39 O ATOM 1017 HG SER A 104 -4.839 -16.677 -4.256 1.00 0.00 H ATOM 1018 H SER A 104 -6.410 -13.657 -3.586 1.00 0.00 H ATOM 1019 N ALA A 105 -3.689 -15.099 -0.459 1.00 11.82 N ATOM 1020 CA ALA A 105 -2.287 -15.055 -0.076 1.00 11.87 C ATOM 1021 C ALA A 105 -1.395 -15.370 -1.270 1.00 12.85 C ATOM 1022 O ALA A 105 -0.361 -14.730 -1.464 1.00 12.90 O ATOM 1023 CB ALA A 105 -2.019 -16.040 1.043 1.00 13.30 C ATOM 1024 H ALA A 105 -4.345 -15.700 0.080 1.00 0.00 H ATOM 1025 N GLU A 106 -1.794 -16.349 -2.069 1.00 12.23 N ATOM 1026 CA GLU A 106 -0.965 -16.799 -3.175 1.00 12.47 C ATOM 1027 C GLU A 106 -0.881 -15.735 -4.264 1.00 12.36 C ATOM 1028 O GLU A 106 0.128 -15.644 -4.963 1.00 14.15 O ATOM 1029 CB GLU A 106 -1.502 -18.110 -3.743 1.00 15.44 C ATOM 1030 CG GLU A 106 -1.431 -19.309 -2.783 1.00 19.63 C ATOM 1031 CD GLU A 106 -2.405 -19.197 -1.619 1.00 23.46 C ATOM 1032 OE1 GLU A 106 -3.486 -18.600 -1.800 1.00 20.37 O ATOM 1033 OE2 GLU A 106 -2.081 -19.689 -0.515 1.00 28.08 O ATOM 1034 H GLU A 106 -2.715 -16.803 -1.902 1.00 0.00 H ATOM 1035 N ALA A 107 -1.924 -14.926 -4.400 1.00 12.24 N ATOM 1036 CA ALA A 107 -1.982 -13.893 -5.430 1.00 14.52 C ATOM 1037 C ALA A 107 -1.234 -12.629 -5.020 1.00 14.24 C ATOM 1038 O ALA A 107 -0.841 -11.836 -5.868 1.00 18.29 O ATOM 1039 CB ALA A 107 -3.427 -13.562 -5.759 1.00 16.91 C ATOM 1040 H ALA A 107 -2.729 -15.032 -3.750 1.00 0.00 H ATOM 1041 N VAL A 108 -1.025 -12.450 -3.721 1.00 11.17 N ATOM 1042 CA VAL A 108 -0.308 -11.284 -3.196 1.00 11.24 C ATOM 1043 C VAL A 108 1.161 -11.652 -2.985 1.00 11.85 C ATOM 1044 O VAL A 108 2.054 -11.045 -3.583 1.00 15.15 O ATOM 1045 CB VAL A 108 -0.946 -10.765 -1.884 1.00 11.35 C ATOM 1046 CG1 VAL A 108 -0.211 -9.525 -1.390 1.00 12.00 C ATOM 1047 CG2 VAL A 108 -2.405 -10.435 -2.107 1.00 12.41 C ATOM 1048 H VAL A 108 -1.383 -13.162 -3.053 1.00 0.00 H ATOM 1049 N GLY A 109 1.409 -12.645 -2.136 1.00 12.06 N ATOM 1050 CA GLY A 109 2.707 -13.297 -2.068 1.00 12.47 C ATOM 1051 C GLY A 109 3.774 -12.662 -1.197 1.00 12.20 C ATOM 1052 O GLY A 109 4.820 -13.276 -0.976 1.00 12.20 O ATOM 1053 H GLY A 109 0.651 -12.965 -1.501 1.00 0.00 H ATOM 1054 N VAL A 110 3.525 -11.452 -0.705 1.00 12.04 N ATOM 1055 CA VAL A 110 4.523 -10.698 0.043 1.00 13.03 C ATOM 1056 C VAL A 110 3.826 -9.733 0.981 1.00 11.48 C ATOM 1057 O VAL A 110 2.699 -9.328 0.713 1.00 10.83 O ATOM 1058 CB VAL A 110 5.425 -9.840 -0.893 1.00 16.09 C ATOM 1059 CG1 VAL A 110 6.230 -10.721 -1.831 1.00 17.76 C ATOM 1060 CG2 VAL A 110 4.598 -8.835 -1.694 1.00 18.30 C ATOM 1061 H VAL A 110 2.587 -11.030 -0.859 1.00 0.00 H ATOM 1062 N LYS A 111 4.496 -9.363 2.072 1.00 11.76 N ATOM 1063 CA LYS A 111 4.064 -8.238 2.888 1.00 11.53 C ATOM 1064 C LYS A 111 4.202 -6.950 2.081 1.00 11.62 C ATOM 1065 O LYS A 111 5.275 -6.640 1.571 1.00 14.52 O ATOM 1066 CB LYS A 111 4.902 -8.143 4.170 1.00 14.14 C ATOM 1067 CG LYS A 111 4.606 -6.882 4.988 1.00 15.70 C ATOM 1068 CD LYS A 111 5.155 -6.952 6.408 1.00 21.25 C ATOM 1069 CE LYS A 111 6.663 -6.827 6.457 1.00 27.54 C ATOM 1070 NZ LYS A 111 7.146 -6.794 7.869 1.00 31.45 N ATOM 1071 HZ1 LYS A 111 6.725 -5.979 8.359 1.00 0.00 H ATOM 1072 HZ2 LYS A 111 6.866 -7.672 8.351 1.00 0.00 H ATOM 1073 HZ3 LYS A 111 8.182 -6.708 7.878 1.00 0.00 H ATOM 1074 H LYS A 111 5.349 -9.891 2.347 1.00 0.00 H ATOM 1075 N ILE A 112 3.113 -6.207 1.973 1.00 10.51 N ATOM 1076 CA ILE A 112 3.051 -4.969 1.200 1.00 10.94 C ATOM 1077 C ILE A 112 3.625 -3.804 1.992 1.00 12.10 C ATOM 1078 O ILE A 112 3.286 -3.593 3.159 1.00 12.12 O ATOM 1079 CB ILE A 112 1.588 -4.667 0.825 1.00 11.13 C ATOM 1080 CG1 ILE A 112 1.078 -5.715 -0.169 1.00 12.79 C ATOM 1081 CG2 ILE A 112 1.436 -3.262 0.247 1.00 13.09 C ATOM 1082 CD1 ILE A 112 -0.416 -5.705 -0.335 1.00 14.16 C ATOM 1083 H ILE A 112 2.253 -6.522 2.466 1.00 0.00 H ATOM 1084 N GLY A 113 4.504 -3.035 1.359 1.00 13.17 N ATOM 1085 CA GLY A 113 5.054 -1.856 2.001 1.00 14.40 C ATOM 1086 C GLY A 113 5.947 -2.198 3.174 1.00 15.39 C ATOM 1087 O GLY A 113 6.475 -3.305 3.269 1.00 17.48 O ATOM 1088 H GLY A 113 4.801 -3.281 0.393 1.00 0.00 H ATOM 1089 N ASN A 114 6.111 -1.235 4.076 1.00 15.16 N ATOM 1090 CA ASN A 114 6.955 -1.404 5.254 1.00 15.69 C ATOM 1091 C ASN A 114 6.257 -0.839 6.486 1.00 15.97 C ATOM 1092 O ASN A 114 6.726 0.129 7.095 1.00 16.71 O ATOM 1093 CB ASN A 114 8.309 -0.725 5.052 1.00 20.42 C ATOM 1094 CG ASN A 114 9.287 -1.023 6.181 1.00 28.95 C ATOM 1095 OD1 ASN A 114 9.115 -1.983 6.935 1.00 33.13 O ATOM 1096 ND2 ASN A 114 10.319 -0.197 6.301 1.00 36.62 N ATOM 1097 HD22 ASN A 114 10.426 0.601 5.643 1.00 0.00 H ATOM 1098 HD21 ASN A 114 11.021 -0.348 7.053 1.00 0.00 H ATOM 1099 H ASN A 114 5.620 -0.329 3.937 1.00 0.00 H ATOM 1100 N PRO A 115 5.128 -1.447 6.863 1.00 14.23 N ATOM 1101 CA PRO A 115 4.357 -0.977 8.019 1.00 13.59 C ATOM 1102 C PRO A 115 5.118 -1.137 9.328 1.00 15.02 C ATOM 1103 O PRO A 115 5.922 -2.062 9.468 1.00 17.09 O ATOM 1104 CB PRO A 115 3.130 -1.886 8.003 1.00 12.17 C ATOM 1105 CG PRO A 115 3.606 -3.137 7.335 1.00 12.44 C ATOM 1106 CD PRO A 115 4.534 -2.657 6.261 1.00 12.67 C ATOM 1107 N VAL A 116 4.876 -0.230 10.273 1.00 14.30 N ATOM 1108 CA VAL A 116 5.499 -0.296 11.594 1.00 15.29 C ATOM 1109 C VAL A 116 4.448 -0.496 12.678 1.00 13.96 C ATOM 1110 O VAL A 116 3.305 -0.097 12.514 1.00 13.69 O ATOM 1111 CB VAL A 116 6.311 0.972 11.907 1.00 18.33 C ATOM 1112 CG1 VAL A 116 7.491 1.084 10.960 1.00 22.60 C ATOM 1113 CG2 VAL A 116 5.431 2.213 11.832 1.00 20.36 C ATOM 1114 H VAL A 116 4.222 0.551 10.064 1.00 0.00 H ATOM 1115 N PRO A 117 4.839 -1.114 13.800 1.00 15.74 N ATOM 1116 CA PRO A 117 3.856 -1.380 14.853 1.00 15.38 C ATOM 1117 C PRO A 117 3.181 -0.129 15.391 1.00 15.31 C ATOM 1118 O PRO A 117 3.853 0.847 15.714 1.00 17.39 O ATOM 1119 CB PRO A 117 4.696 -2.037 15.949 1.00 18.81 C ATOM 1120 CG PRO A 117 5.798 -2.695 15.215 1.00 21.42 C ATOM 1121 CD PRO A 117 6.128 -1.773 14.078 1.00 19.18 C ATOM 1122 N TYR A 118 1.859 -0.162 15.468 1.00 14.70 N ATOM 1123 CA TYR A 118 1.106 0.899 16.104 1.00 15.77 C ATOM 1124 C TYR A 118 1.314 0.794 17.607 1.00 19.21 C ATOM 1125 O TYR A 118 1.284 -0.295 18.169 1.00 21.89 O ATOM 1126 CB TYR A 118 -0.378 0.778 15.774 1.00 15.46 C ATOM 1127 CG TYR A 118 -1.176 1.976 16.210 1.00 16.11 C ATOM 1128 CD1 TYR A 118 -1.227 3.118 15.424 1.00 16.60 C ATOM 1129 CD2 TYR A 118 -1.860 1.980 17.420 1.00 19.73 C ATOM 1130 CE1 TYR A 118 -1.942 4.226 15.820 1.00 18.95 C ATOM 1131 CE2 TYR A 118 -2.583 3.086 17.826 1.00 19.46 C ATOM 1132 CZ TYR A 118 -2.617 4.206 17.021 1.00 19.86 C ATOM 1133 OH TYR A 118 -3.326 5.314 17.413 1.00 23.52 O ATOM 1134 HH TYR A 118 -2.965 5.648 18.272 1.00 0.00 H ATOM 1135 H TYR A 118 1.348 -0.971 15.061 1.00 0.00 H ATOM 1136 N ASN A 119 1.544 1.930 18.254 1.00 21.62 N ATOM 1137 CA ASN A 119 1.765 1.952 19.694 1.00 35.94 C ATOM 1138 C ASN A 119 0.455 2.099 20.452 1.00 45.73 C ATOM 1139 O ASN A 119 -0.087 3.199 20.565 1.00 43.85 O ATOM 1140 CB ASN A 119 2.713 3.090 20.080 1.00 44.49 C ATOM 1141 CG ASN A 119 4.104 2.912 19.504 1.00 52.32 C ATOM 1142 OD1 ASN A 119 4.571 1.788 19.308 1.00 53.75 O ATOM 1143 ND2 ASN A 119 4.779 4.024 19.234 1.00 55.02 N ATOM 1144 HD22 ASN A 119 4.346 4.952 19.415 1.00 0.00 H ATOM 1145 HD21 ASN A 119 5.740 3.966 18.841 1.00 0.00 H ATOM 1146 H ASN A 119 1.567 2.823 17.722 1.00 0.00 H ATOM 1147 N GLU A 120 -0.050 0.982 20.964 1.00 54.64 N ATOM 1148 CA GLU A 120 -1.265 0.987 21.766 1.00 65.71 C ATOM 1149 C GLU A 120 -1.029 1.717 23.085 1.00 72.13 C ATOM 1150 O GLU A 120 -1.897 2.436 23.581 1.00 73.55 O ATOM 1151 CB GLU A 120 -1.721 -0.446 22.038 1.00 68.42 C ATOM 1152 CG GLU A 120 -2.184 -1.189 20.788 1.00 69.42 C ATOM 1153 CD GLU A 120 -1.618 -2.595 20.668 1.00 70.06 C ATOM 1154 OE1 GLU A 120 -0.520 -2.862 21.201 1.00 71.89 O ATOM 1155 OE2 GLU A 120 -2.274 -3.440 20.023 1.00 68.46 O ATOM 1156 OXT GLU A 120 0.041 1.609 23.685 1.00 74.46 O ATOM 1157 H GLU A 120 0.436 0.080 20.787 1.00 0.00 H TER 1158 GLU A 120 HETATM 1159 O HOH 1 -6.941 -15.028 26.175 1.00 37.49 O HETATM 1160 O HOH 2 -0.625 -4.217 18.506 1.00 20.32 O HETATM 1161 O HOH 3 0.053 -17.074 9.741 1.00 29.99 O HETATM 1162 O HOH 4 7.304 -4.970 1.606 1.00 19.56 O HETATM 1163 O HOH 5 -16.040 -5.277 -1.219 1.00 28.03 O HETATM 1164 O HOH 6 -13.835 -23.750 1.348 1.00 24.99 O HETATM 1165 O HOH 7 -4.381 5.283 19.764 1.00 27.37 O HETATM 1166 O HOH 8 -17.139 -14.730 18.355 1.00 20.76 O HETATM 1167 O HOH 9 -2.488 0.308 -5.967 1.00 20.72 O HETATM 1168 O HOH 10 1.425 -4.721 4.702 1.00 11.12 O HETATM 1169 O HOH 11 -7.252 -21.907 19.827 1.00 25.21 O HETATM 1170 O HOH 12 -16.270 -2.382 8.790 1.00 21.70 O HETATM 1171 O HOH 13 -1.179 -17.507 20.786 1.00 26.74 O HETATM 1172 O HOH 14 -2.662 3.730 10.588 1.00 13.74 O HETATM 1173 O HOH 15 -5.283 -20.279 7.045 1.00 23.10 O HETATM 1174 O HOH 16 -5.347 -16.572 1.465 1.00 17.90 O HETATM 1175 O HOH 17 1.424 -2.919 17.535 1.00 20.31 O HETATM 1176 O HOH 18 1.897 -4.597 15.417 1.00 17.12 O HETATM 1177 O HOH 19 4.936 -5.335 12.545 1.00 23.44 O HETATM 1178 O HOH 20 -4.722 -17.697 -5.705 1.00 28.07 O HETATM 1179 O HOH 21 7.260 -3.854 7.931 1.00 24.05 O HETATM 1180 O HOH 22 -4.655 -19.178 0.587 1.00 35.10 O HETATM 1181 O HOH 23 -13.882 -11.147 -3.124 1.00 24.71 O HETATM 1182 O HOH 24 -17.908 -2.132 11.236 1.00 19.15 O HETATM 1183 O HOH 25 4.550 1.242 3.628 1.00 31.44 O HETATM 1184 O HOH 26 -11.562 -16.956 16.312 1.00 12.11 O HETATM 1185 O HOH 27 1.236 -18.590 13.237 1.00 24.57 O HETATM 1186 O HOH 28 -0.004 -17.831 3.586 1.00 21.34 O HETATM 1187 O HOH 29 -8.342 2.556 20.985 1.00 19.08 O HETATM 1188 O HOH 30 -5.910 0.693 24.877 1.00 26.81 O HETATM 1189 O HOH 31 -19.873 -2.375 14.360 1.00 23.19 O HETATM 1190 O HOH 32 1.586 -15.965 0.088 1.00 18.01 O HETATM 1191 O HOH 33 -1.723 -18.218 23.599 1.00 30.65 O HETATM 1192 O HOH 34 -0.215 6.003 12.933 1.00 23.15 O HETATM 1193 O HOH 35 -10.671 2.196 19.502 1.00 22.16 O HETATM 1194 O HOH 36 -20.341 -3.858 3.308 1.00 28.15 O HETATM 1195 O HOH 37 -12.752 5.815 24.081 1.00 29.18 O HETATM 1196 O HOH 38 -5.493 5.928 2.557 1.00 16.05 O HETATM 1197 O HOH 39 -8.550 -22.129 0.344 1.00 33.03 O HETATM 1198 O HOH 40 -8.372 -16.812 -0.456 1.00 33.84 O HETATM 1199 O HOH 41 -15.633 -3.533 27.303 1.00 14.52 O HETATM 1200 O HOH 42 5.560 2.583 8.061 1.00 28.03 O HETATM 1201 O HOH 43 -11.235 -8.199 30.449 1.00 28.94 O HETATM 1202 O HOH 44 -18.625 -8.086 -0.954 1.00 24.50 O HETATM 1203 O HOH 45 4.841 -0.793 -8.053 1.00 27.23 O HETATM 1204 O HOH 46 -1.632 -18.058 7.679 1.00 23.41 O HETATM 1205 O HOH 47 3.269 -12.176 5.982 1.00 24.63 O HETATM 1206 O HOH 48 -2.444 0.788 -8.732 1.00 25.73 O HETATM 1207 O HOH 49 -7.135 -13.765 -5.342 1.00 17.24 O HETATM 1208 O HOH 50 7.307 -10.227 1.833 1.00 35.54 O HETATM 1209 O HOH 51 -18.905 -15.399 16.172 1.00 21.65 O HETATM 1210 O HOH 52 3.818 0.496 -2.466 1.00 20.17 O HETATM 1211 O HOH 53 -1.264 -10.920 16.553 1.00 21.14 O HETATM 1212 O HOH 54 -4.779 -1.495 23.219 1.00 29.70 O HETATM 1213 O HOH 55 -14.898 1.631 18.308 1.00 26.91 O HETATM 1214 O HOH 56 -17.677 -12.551 6.650 1.00 15.35 O HETATM 1215 O HOH 57 -7.482 -7.520 31.362 1.00 23.11 O HETATM 1216 O HOH 58 -19.672 -13.158 8.844 1.00 27.17 O HETATM 1217 O HOH 59 -1.222 -13.170 15.126 1.00 14.40 O HETATM 1218 O HOH 60 -15.667 -23.421 12.782 1.00 30.28 O HETATM 1219 O HOH 61 5.073 -7.128 10.374 1.00 24.76 O HETATM 1220 O HOH 62 3.230 4.780 15.087 1.00 25.03 O HETATM 1221 O HOH 63 -3.509 0.442 26.859 1.00 33.01 O HETATM 1222 O HOH 64 -1.483 -2.954 32.067 1.00 37.10 O HETATM 1223 O HOH 65 -13.141 2.137 20.375 1.00 25.88 O HETATM 1224 O HOH 66 -13.342 -7.985 37.482 1.00 29.66 O HETATM 1225 O HOH 67 -18.712 -4.756 -2.101 1.00 23.83 O HETATM 1226 O HOH 68 3.387 -6.497 16.640 1.00 27.12 O HETATM 1227 O HOH 69 -12.623 8.132 6.649 1.00 30.34 O HETATM 1228 O HOH 70 -14.388 -15.308 26.406 1.00 40.99 O HETATM 1229 C10 UNN A 71 -12.537 -11.969 23.571 1.00 0.05 C HETATM 1230 C04 UNN A 71 -13.506 -10.839 23.221 1.00 0.23 C HETATM 1231 N05 UNN A 71 -14.678 -11.199 22.432 1.00 -0.23 N HETATM 1232 C07 UNN A 71 -15.750 -10.305 22.019 1.00 0.08 C HETATM 1233 C03 UNN A 71 -16.539 -10.662 20.937 1.00 0.03 C HETATM 1234 C22 UNN A 71 -17.585 -9.846 20.537 1.00 -0.06 C HETATM 1235 C29 UNN A 71 -17.851 -8.678 21.233 1.00 -0.07 C HETATM 1236 C30 UNN A 71 -17.073 -8.326 22.323 1.00 -0.07 C HETATM 1237 C27 UNN A 71 -16.028 -9.142 22.724 1.00 -0.04 C HETATM 1238 H14 UNN A 71 -15.429 -8.873 23.586 1.00 0.05 H HETATM 1239 H16 UNN A 71 -17.282 -7.410 22.864 1.00 0.06 H HETATM 1240 H15 UNN A 71 -18.670 -8.039 20.924 1.00 0.05 H HETATM 1241 H2 UNN A 71 -18.193 -10.120 19.683 1.00 0.06 H HETATM 1242 C09 UNN A 71 -16.252 -11.951 20.169 1.00 0.05 C HETATM 1243 O15 UNN A 71 -15.276 -12.680 20.493 1.00 -0.57 O HETATM 1244 O19 UNN A 71 -16.996 -12.283 19.209 1.00 -0.57 O HETATM 1245 H8 UNN A 71 -14.753 -12.154 22.146 1.00 0.23 H HETATM 1246 O14 UNN A 71 -13.300 -9.732 23.599 1.00 -0.38 O HETATM 1247 C08 UNN A 71 -11.551 -11.777 24.522 1.00 -0.02 C HETATM 1248 C02 UNN A 71 -10.692 -12.817 24.843 1.00 0.12 C HETATM 1249 C13 UNN A 71 -10.820 -14.048 24.223 1.00 -0.01 C HETATM 1250 C17 UNN A 71 -11.813 -14.241 23.277 1.00 -0.05 C HETATM 1251 C16 UNN A 71 -12.674 -13.203 22.957 1.00 -0.05 C HETATM 1252 H11 UNN A 71 -13.457 -13.357 22.224 1.00 0.07 H HETATM 1253 H1 UNN A 71 -11.917 -15.203 22.788 1.00 0.06 H HETATM 1254 C28 UNN A 71 -9.870 -15.190 24.575 1.00 -0.03 C HETATM 1255 H5 UNN A 71 -10.130 -16.079 23.982 1.00 0.04 H HETATM 1256 H6 UNN A 71 -9.960 -15.425 25.646 1.00 0.04 H HETATM 1257 H7 UNN A 71 -8.836 -14.889 24.351 1.00 0.04 H HETATM 1258 S01 UNN A 71 -9.398 -12.546 26.084 1.00 0.09 S HETATM 1259 N06 UNN A 71 -7.870 -13.045 25.495 1.00 -0.19 N HETATM 1260 C18 UNN A 71 -7.365 -12.453 24.274 1.00 0.07 C HETATM 1261 C24 UNN A 71 -6.413 -13.115 23.518 1.00 -0.04 C HETATM 1262 C25 UNN A 71 -5.941 -12.540 22.350 1.00 -0.07 C HETATM 1263 C20 UNN A 71 -6.427 -11.304 21.951 1.00 -0.01 C HETATM 1264 C26 UNN A 71 -7.379 -10.650 22.708 1.00 -0.07 C HETATM 1265 C23 UNN A 71 -7.851 -11.221 23.874 1.00 -0.04 C HETATM 1266 H12 UNN A 71 -8.596 -10.708 24.471 1.00 0.05 H HETATM 1267 H4 UNN A 71 -7.757 -9.686 22.387 1.00 0.06 H HETATM 1268 BR1 UNN A 71 -5.791 -10.473 20.321 1.00 -0.07 BR HETATM 1269 H13 UNN A 71 -5.197 -13.053 21.752 1.00 0.06 H HETATM 1270 H3 UNN A 71 -6.038 -14.080 23.839 1.00 0.05 H HETATM 1271 H9 UNN A 71 -7.336 -13.733 25.986 1.00 0.22 H HETATM 1272 O11 UNN A 71 -9.721 -13.228 27.338 1.00 -0.15 O HETATM 1273 O12 UNN A 71 -9.381 -11.146 26.517 1.00 -0.15 O HETATM 1274 H10 UNN A 71 -11.450 -10.817 25.015 1.00 0.07 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 1229 1230 1247 1251 CONECT 1230 1229 1231 1246 CONECT 1231 1230 1232 1245 CONECT 1232 1231 1233 1237 CONECT 1233 1232 1234 1242 CONECT 1234 1233 1235 1241 CONECT 1235 1234 1236 1240 CONECT 1236 1235 1237 1239 CONECT 1237 1232 1236 1238 CONECT 1238 1237 CONECT 1239 1236 CONECT 1240 1235 CONECT 1241 1234 CONECT 1242 1233 1243 1244 CONECT 1243 1242 CONECT 1244 1242 CONECT 1245 1231 CONECT 1246 1230 CONECT 1247 1229 1248 1274 CONECT 1248 1247 1249 1258 CONECT 1249 1248 1250 1254 CONECT 1250 1249 1251 1253 CONECT 1251 1229 1250 1252 CONECT 1252 1251 CONECT 1253 1250 CONECT 1254 1249 1255 1256 1257 CONECT 1255 1254 CONECT 1256 1254 CONECT 1257 1254 CONECT 1258 1248 1259 1272 1273 CONECT 1259 1258 1260 1271 CONECT 1260 1259 1261 1265 CONECT 1261 1260 1262 1270 CONECT 1262 1261 1263 1269 CONECT 1263 1262 1264 1268 CONECT 1264 1263 1265 1267 CONECT 1265 1260 1264 1266 CONECT 1266 1265 CONECT 1267 1264 CONECT 1268 1263 CONECT 1269 1262 CONECT 1270 1261 CONECT 1271 1259 CONECT 1272 1258 CONECT 1273 1258 CONECT 1274 1247 MASTER 0 0 0 0 0 0 0 0 1273 1 50 10 END
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Structure:
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Related entries of code: 5e7n
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4ijh
RCSB PDB
PDBbind
123aa, >4IJH_1|Chain... *
4ijl
RCSB PDB
PDBbind
123aa, >4IJL_1|Chain... at 100%
4luo
RCSB PDB
PDBbind
123aa, >4LUO_1|Chain... at 100%
4luv
RCSB PDB
PDBbind
123aa, >4LUV_1|Chain... at 100%
4luz
RCSB PDB
PDBbind
123aa, >4LUZ_1|Chain... at 100%
4lw1
RCSB PDB
PDBbind
123aa, >4LW1_1|Chain... at 100%
4lwc
RCSB PDB
PDBbind
123aa, >4LWC_1|Chain... at 100%
4o0a
RCSB PDB
PDBbind
123aa, >4O0A_1|Chain... at 100%
4r4c
RCSB PDB
PDBbind
123aa, >4R4C_1|Chain... at 100%
4r4i
RCSB PDB
PDBbind
123aa, >4R4I_1|Chain... at 100%
4r4o
RCSB PDB
PDBbind
123aa, >4R4O_1|Chain... at 100%
4r4q
RCSB PDB
PDBbind
123aa, >4R4Q_1|Chain... at 100%
4r4t
RCSB PDB
PDBbind
123aa, >4R4T_1|Chain... at 100%
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
5e7n
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
N-terminal domain of the 70 kDa subunit of Replication protein A (RPA70N)
Ligand Name
5KR
EC.Number
E.C.-.-.-.-
Resolution
1.21(Å)
Affinity (Kd/Ki/IC50)
Kd=0.81uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Chemmedchem Vol. 11: pp. 893-899
Ligand Properties
Formula
C
2
1
H
1
7
BrN
2
O
5
S
Molecular Weight
489.339
Exact Mass
488.004
No. of atoms
47
No. of bonds
49
Polar Surface Area
120.95
LOGP Value
5.50 (
Computed with XLOGP3
)
5.74 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 3
Canonical SMILES
Brc1ccc(cc1)NS(=O)(=O)c1cc(ccc1C)C(=O)Nc1ccccc1C(=O)O
InChI String
InChI=1S/C21H17BrN2O5S/c1-13-6-7-14(20(25)23-18-5-3-2-4-17(18)21(26)27)12-19(13)30(28,29)24-16-10-8-15(22)9-11-16/h2-12,24H,1H3,(H,23,25)(H,26,27)
Links to External Databases
RCSB PDB
The mother database
PDBsum
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Pubchem
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UniProtKB AC
UniProt accession number (AC):
P27694
Entrez Gene ID
NCBI Entrez Gene ID:
6117
ASD
Information of known allosteric effects of PDB entries
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