Browse entries in the PDBbind-CN Database
HEADER 4R4Q_COMPLEX COMPND 4R4Q_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 121 HIS MET VAL GLY GLN LEU SER ARG GLY ALA ILE ALA ALA SEQRES 2 A 121 ILE MET GLN LYS GLY ASP THR ASN ILE LYS PRO ILE LEU SEQRES 3 A 121 GLN VAL ILE ASN ILE ARG PRO ILE THR THR GLY ASN SER SEQRES 4 A 121 PRO PRO ARG TYR ARG LEU LEU MET SER ASP GLY LEU ASN SEQRES 5 A 121 THR LEU SER SER PHE MET LEU ALA THR GLN LEU ASN PRO SEQRES 6 A 121 LEU VAL GLU GLU GLU GLN LEU SER SER ASN CYS VAL CYS SEQRES 7 A 121 GLN ILE HIS ARG PHE ILE VAL ASN THR LEU LYS ASP GLY SEQRES 8 A 121 ARG ARG VAL VAL ILE LEU MET GLU LEU GLU VAL LEU LYS SEQRES 9 A 121 SER ALA GLU ALA VAL GLY VAL LYS ILE GLY ASN PRO VAL SEQRES 10 A 121 PRO TYR ASN GLU HET UNN A 249 63 ATOM 1 N HIS A 0 -2.359 -0.189 -7.253 1.00 33.19 N ATOM 2 CA HIS A 0 -2.226 -0.948 -6.021 1.00 30.23 C ATOM 3 C HIS A 0 -1.446 -0.117 -4.972 1.00 21.71 C ATOM 4 O HIS A 0 -0.346 -0.428 -4.689 1.00 21.45 O ATOM 5 CB HIS A 0 -1.462 -2.202 -6.423 1.00 35.17 C ATOM 6 CG HIS A 0 -1.030 -3.100 -5.302 1.00 38.64 C ATOM 7 ND1 HIS A 0 0.260 -3.579 -5.194 1.00 39.84 N ATOM 8 CD2 HIS A 0 -1.719 -3.661 -4.283 1.00 38.78 C ATOM 9 CE1 HIS A 0 0.348 -4.368 -4.143 1.00 39.45 C ATOM 10 NE2 HIS A 0 -0.841 -4.443 -3.577 1.00 39.32 N ATOM 11 HN3 HIS A 0 -1.414 0.034 -7.625 1.00 0.00 H ATOM 12 HN2 HIS A 0 -2.875 0.694 -7.061 1.00 0.00 H ATOM 13 HN1 HIS A 0 -2.883 -0.753 -7.952 1.00 0.00 H ATOM 14 N MET A 1 -2.012 0.954 -4.450 1.00 20.10 N ATOM 15 CA MET A 1 -1.211 1.950 -3.763 1.00 19.02 C ATOM 16 C MET A 1 -0.527 1.457 -2.498 1.00 15.68 C ATOM 17 O MET A 1 0.517 1.884 -2.182 1.00 14.98 O ATOM 18 CB MET A 1 -2.017 3.187 -3.433 1.00 17.99 C ATOM 19 CG MET A 1 -2.349 4.060 -4.622 1.00 21.85 C ATOM 20 SD MET A 1 -2.922 5.722 -4.262 1.00 25.47 S ATOM 21 CE MET A 1 -4.540 5.351 -3.786 1.00 24.14 C ATOM 22 H MET A 1 -3.040 1.086 -4.531 1.00 0.00 H ATOM 23 N VAL A 2 -1.135 0.532 -1.801 1.00 15.32 N ATOM 24 CA VAL A 2 -0.572 0.003 -0.583 1.00 15.22 C ATOM 25 C VAL A 2 0.723 -0.795 -0.864 1.00 13.49 C ATOM 26 O VAL A 2 1.555 -0.911 -0.033 1.00 14.58 O ATOM 27 CB VAL A 2 -1.599 -0.802 0.190 1.00 18.35 C ATOM 28 CG1 VAL A 2 -1.795 -2.152 -0.407 1.00 18.79 C ATOM 29 CG2 VAL A 2 -1.229 -0.843 1.618 1.00 23.76 C ATOM 30 H VAL A 2 -2.050 0.168 -2.135 1.00 0.00 H ATOM 31 N GLY A 3 0.874 -1.219 -2.091 1.00 13.65 N ATOM 32 CA GLY A 3 2.110 -1.788 -2.538 1.00 15.24 C ATOM 33 C GLY A 3 3.313 -0.868 -2.547 1.00 14.57 C ATOM 34 O GLY A 3 4.385 -1.300 -2.703 1.00 14.95 O ATOM 35 H GLY A 3 0.079 -1.142 -2.757 1.00 0.00 H ATOM 36 N GLN A 4 3.079 0.406 -2.360 1.00 13.44 N ATOM 37 CA GLN A 4 4.156 1.354 -2.266 1.00 14.08 C ATOM 38 C GLN A 4 4.737 1.424 -0.886 1.00 11.65 C ATOM 39 O GLN A 4 5.780 2.054 -0.716 1.00 12.80 O ATOM 40 CB GLN A 4 3.640 2.773 -2.634 1.00 17.05 C ATOM 41 CG GLN A 4 3.169 2.943 -4.063 1.00 24.42 C ATOM 42 CD GLN A 4 2.517 4.297 -4.288 1.00 33.57 C ATOM 43 OE1 GLN A 4 2.702 5.226 -3.503 1.00 36.74 O ATOM 44 NE2 GLN A 4 1.759 4.416 -5.376 1.00 40.65 N ATOM 45 HE22 GLN A 4 1.631 3.603 -6.012 1.00 0.00 H ATOM 46 HE21 GLN A 4 1.295 5.322 -5.590 1.00 0.00 H ATOM 47 H GLN A 4 2.097 0.738 -2.278 1.00 0.00 H ATOM 48 N LEU A 5 4.073 0.834 0.115 1.00 11.11 N ATOM 49 CA LEU A 5 4.499 0.980 1.492 1.00 10.99 C ATOM 50 C LEU A 5 5.008 -0.327 2.058 1.00 10.70 C ATOM 51 O LEU A 5 4.587 -1.434 1.596 1.00 12.30 O ATOM 52 CB LEU A 5 3.340 1.474 2.370 1.00 11.08 C ATOM 53 CG LEU A 5 2.682 2.753 1.926 1.00 11.30 C ATOM 54 CD1 LEU A 5 1.560 3.161 2.896 1.00 12.23 C ATOM 55 CD2 LEU A 5 3.695 3.895 1.732 1.00 13.01 C ATOM 56 H LEU A 5 3.234 0.259 -0.100 1.00 0.00 H ATOM 57 N SER A 6 5.890 -0.281 3.018 1.00 10.64 N ATOM 58 CA SER A 6 6.495 -1.457 3.632 1.00 11.01 C ATOM 59 C SER A 6 5.556 -2.155 4.603 1.00 12.04 C ATOM 60 O SER A 6 5.790 -2.108 5.822 1.00 11.55 O ATOM 61 CB SER A 6 7.780 -1.067 4.340 1.00 10.54 C ATOM 62 OG SER A 6 8.796 -0.757 3.377 1.00 11.26 O ATOM 63 HG SER A 6 9.629 -0.504 3.848 1.00 0.00 H ATOM 64 H SER A 6 6.180 0.654 3.368 1.00 0.00 H ATOM 65 N ARG A 7 4.543 -2.823 4.060 1.00 11.91 N ATOM 66 CA ARG A 7 3.561 -3.516 4.900 1.00 12.94 C ATOM 67 C ARG A 7 4.242 -4.470 5.818 1.00 13.99 C ATOM 68 O ARG A 7 5.029 -5.301 5.373 1.00 14.76 O ATOM 69 CB ARG A 7 2.506 -4.203 4.052 1.00 13.43 C ATOM 70 CG ARG A 7 1.563 -3.229 3.338 1.00 14.31 C ATOM 71 CD ARG A 7 0.529 -3.959 2.525 1.00 16.32 C ATOM 72 NE ARG A 7 1.081 -4.450 1.291 1.00 19.08 N ATOM 73 CZ ARG A 7 0.365 -5.138 0.404 1.00 24.01 C ATOM 74 NH1 ARG A 7 -0.914 -5.427 0.639 1.00 25.65 N ATOM 75 NH2 ARG A 7 0.937 -5.514 -0.710 1.00 28.22 N ATOM 76 HE ARG A 7 2.082 -4.260 1.083 1.00 0.00 H ATOM 77 HH12 ARG A 7 -1.463 -5.965 -0.062 1.00 0.00 H ATOM 78 HH11 ARG A 7 -1.364 -5.115 1.523 1.00 0.00 H ATOM 79 HH22 ARG A 7 0.396 -6.052 -1.416 1.00 0.00 H ATOM 80 HH21 ARG A 7 1.933 -5.275 -0.890 1.00 0.00 H ATOM 81 H ARG A 7 4.446 -2.855 3.025 1.00 0.00 H ATOM 82 N GLY A 8 3.987 -4.344 7.093 1.00 13.90 N ATOM 83 CA GLY A 8 4.574 -5.203 8.100 1.00 14.11 C ATOM 84 C GLY A 8 5.788 -4.613 8.808 1.00 12.70 C ATOM 85 O GLY A 8 6.291 -5.153 9.788 1.00 15.48 O ATOM 86 H GLY A 8 3.334 -3.594 7.398 1.00 0.00 H ATOM 87 N ALA A 9 6.265 -3.456 8.341 1.00 12.96 N ATOM 88 CA ALA A 9 7.409 -2.839 8.986 1.00 13.23 C ATOM 89 C ALA A 9 7.138 -2.321 10.385 1.00 13.39 C ATOM 90 O ALA A 9 8.020 -2.410 11.248 1.00 14.63 O ATOM 91 CB ALA A 9 7.957 -1.687 8.133 1.00 13.29 C ATOM 92 H ALA A 9 5.819 -3.000 7.520 1.00 0.00 H ATOM 93 N ILE A 10 5.933 -1.843 10.616 1.00 12.73 N ATOM 94 CA ILE A 10 5.651 -1.384 11.992 1.00 13.19 C ATOM 95 C ILE A 10 5.685 -2.559 12.963 1.00 14.36 C ATOM 96 O ILE A 10 6.328 -2.444 13.987 1.00 15.25 O ATOM 97 CB ILE A 10 4.337 -0.604 12.055 1.00 13.73 C ATOM 98 CG1 ILE A 10 4.562 0.771 11.415 1.00 14.43 C ATOM 99 CG2 ILE A 10 3.786 -0.521 13.456 1.00 14.78 C ATOM 100 CD1 ILE A 10 3.376 1.578 11.179 1.00 15.84 C ATOM 101 H ILE A 10 5.214 -1.791 9.866 1.00 0.00 H ATOM 102 N ALA A 11 5.076 -3.692 12.605 1.00 15.19 N ATOM 103 CA ALA A 11 5.159 -4.875 13.485 1.00 17.18 C ATOM 104 C ALA A 11 6.602 -5.296 13.633 1.00 18.83 C ATOM 105 O ALA A 11 6.992 -5.757 14.724 1.00 20.21 O ATOM 106 CB ALA A 11 4.344 -5.963 12.937 1.00 19.26 C ATOM 107 H ALA A 11 4.546 -3.741 11.711 1.00 0.00 H ATOM 108 N ALA A 12 7.380 -5.247 12.590 1.00 17.65 N ATOM 109 CA ALA A 12 8.763 -5.626 12.692 1.00 19.40 C ATOM 110 C ALA A 12 9.522 -4.788 13.678 1.00 20.56 C ATOM 111 O ALA A 12 10.246 -5.283 14.459 1.00 24.12 O ATOM 112 CB ALA A 12 9.437 -5.573 11.351 1.00 19.59 C ATOM 113 H ALA A 12 6.998 -4.931 11.676 1.00 0.00 H ATOM 114 N ILE A 13 9.320 -3.479 13.598 1.00 17.61 N ATOM 115 CA ILE A 13 10.002 -2.546 14.477 1.00 18.94 C ATOM 116 C ILE A 13 9.565 -2.743 15.922 1.00 21.80 C ATOM 117 O ILE A 13 10.380 -2.638 16.839 1.00 24.61 O ATOM 118 CB ILE A 13 9.724 -1.088 14.069 1.00 19.16 C ATOM 119 CG1 ILE A 13 10.269 -0.817 12.666 1.00 19.06 C ATOM 120 CG2 ILE A 13 10.345 -0.129 15.073 1.00 21.81 C ATOM 121 CD1 ILE A 13 9.910 0.551 12.128 1.00 20.38 C ATOM 122 H ILE A 13 8.656 -3.112 12.887 1.00 0.00 H ATOM 123 N MET A 14 8.280 -3.017 16.132 1.00 19.05 N ATOM 124 CA MET A 14 7.768 -3.112 17.484 1.00 21.27 C ATOM 125 C MET A 14 7.834 -4.537 18.098 1.00 23.35 C ATOM 126 O MET A 14 7.979 -4.651 19.276 1.00 29.39 O ATOM 127 CB MET A 14 6.372 -2.527 17.571 1.00 24.01 C ATOM 128 CG MET A 14 6.247 -1.100 17.107 1.00 26.77 C ATOM 129 SD MET A 14 7.022 0.199 18.095 1.00 33.53 S ATOM 130 CE MET A 14 5.873 0.148 19.411 1.00 36.74 C ATOM 131 H MET A 14 7.642 -3.163 15.324 1.00 0.00 H ATOM 132 N GLN A 15 7.701 -5.584 17.307 1.00 24.05 N ATOM 133 CA GLN A 15 7.703 -6.949 17.809 1.00 25.83 C ATOM 134 C GLN A 15 9.107 -7.541 17.815 1.00 28.79 C ATOM 135 O GLN A 15 9.490 -8.233 18.757 1.00 31.89 O ATOM 136 CB GLN A 15 6.777 -7.824 16.964 1.00 30.81 C ATOM 137 CG GLN A 15 5.300 -7.641 17.274 1.00 34.62 C ATOM 138 CD GLN A 15 4.402 -8.238 16.209 1.00 38.63 C ATOM 139 OE1 GLN A 15 4.804 -9.142 15.476 1.00 41.63 O ATOM 140 NE2 GLN A 15 3.176 -7.735 16.117 1.00 39.63 N ATOM 141 HE22 GLN A 15 2.878 -6.971 16.757 1.00 0.00 H ATOM 142 HE21 GLN A 15 2.514 -8.105 15.405 1.00 0.00 H ATOM 143 H GLN A 15 7.590 -5.427 16.285 1.00 0.00 H ATOM 144 N LYS A 16 9.869 -7.277 16.758 1.00 29.36 N ATOM 145 CA LYS A 16 11.193 -7.904 16.604 1.00 32.27 C ATOM 146 C LYS A 16 12.313 -6.968 17.003 1.00 32.51 C ATOM 147 O LYS A 16 13.434 -7.408 17.266 1.00 31.76 O ATOM 148 CB LYS A 16 11.444 -8.361 15.175 1.00 34.70 C ATOM 149 CG LYS A 16 10.444 -9.332 14.607 1.00 37.32 C ATOM 150 CD LYS A 16 11.040 -10.018 13.376 1.00 39.87 C ATOM 151 CE LYS A 16 11.466 -9.021 12.310 1.00 42.43 C ATOM 152 NZ LYS A 16 10.822 -9.332 11.002 1.00 41.66 N ATOM 153 HZ1 LYS A 16 11.101 -10.287 10.698 1.00 0.00 H ATOM 154 HZ2 LYS A 16 9.788 -9.288 11.107 1.00 0.00 H ATOM 155 HZ3 LYS A 16 11.129 -8.637 10.292 1.00 0.00 H ATOM 156 H LYS A 16 9.526 -6.619 16.030 1.00 0.00 H ATOM 157 N GLY A 17 12.022 -5.677 17.023 1.00 32.82 N ATOM 158 CA GLY A 17 13.035 -4.683 17.296 1.00 30.96 C ATOM 159 C GLY A 17 14.029 -4.636 16.153 1.00 29.79 C ATOM 160 O GLY A 17 15.215 -4.461 16.363 1.00 31.94 O ATOM 161 H GLY A 17 11.045 -5.372 16.839 1.00 0.00 H ATOM 162 N ASP A 18 13.536 -4.813 14.935 1.00 28.25 N ATOM 163 CA ASP A 18 14.378 -4.727 13.754 1.00 25.25 C ATOM 164 C ASP A 18 14.749 -3.275 13.472 1.00 26.09 C ATOM 165 O ASP A 18 13.878 -2.454 13.267 1.00 28.80 O ATOM 166 CB ASP A 18 13.640 -5.323 12.543 1.00 25.93 C ATOM 167 CG ASP A 18 14.545 -5.526 11.364 1.00 24.05 C ATOM 168 OD1 ASP A 18 15.467 -4.700 11.165 1.00 23.32 O ATOM 169 OD2 ASP A 18 14.346 -6.520 10.618 1.00 24.55 O ATOM 170 H ASP A 18 12.523 -5.018 14.822 1.00 0.00 H ATOM 171 N THR A 19 16.046 -2.986 13.499 1.00 25.17 N ATOM 172 CA THR A 19 16.562 -1.631 13.338 1.00 29.58 C ATOM 173 C THR A 19 17.353 -1.470 12.025 1.00 27.61 C ATOM 174 O THR A 19 17.844 -0.387 11.713 1.00 28.55 O ATOM 175 CB THR A 19 17.436 -1.283 14.562 1.00 36.04 C ATOM 176 OG1 THR A 19 17.582 0.138 14.697 1.00 42.69 O ATOM 177 CG2 THR A 19 18.777 -1.914 14.445 1.00 34.57 C ATOM 178 HG1 THR A 19 18.012 0.503 13.883 1.00 0.00 H ATOM 179 H THR A 19 16.724 -3.761 13.641 1.00 0.00 H ATOM 180 N ASN A 20 17.482 -2.540 11.241 1.00 25.54 N ATOM 181 CA ASN A 20 18.266 -2.478 10.017 1.00 24.20 C ATOM 182 C ASN A 20 17.439 -2.251 8.731 1.00 19.97 C ATOM 183 O ASN A 20 17.983 -1.878 7.684 1.00 19.82 O ATOM 184 CB ASN A 20 19.113 -3.742 9.894 1.00 29.89 C ATOM 185 CG ASN A 20 20.181 -3.817 10.963 1.00 33.32 C ATOM 186 OD1 ASN A 20 20.244 -4.774 11.732 1.00 34.25 O ATOM 187 ND2 ASN A 20 21.040 -2.826 10.993 1.00 33.31 N ATOM 188 HD22 ASN A 20 20.947 -2.037 10.322 1.00 0.00 H ATOM 189 HD21 ASN A 20 21.814 -2.830 11.688 1.00 0.00 H ATOM 190 H ASN A 20 17.016 -3.431 11.508 1.00 0.00 H ATOM 191 N ILE A 21 16.136 -2.467 8.825 1.00 17.67 N ATOM 192 CA ILE A 21 15.238 -2.252 7.702 1.00 15.41 C ATOM 193 C ILE A 21 15.237 -0.760 7.363 1.00 14.34 C ATOM 194 O ILE A 21 15.540 0.083 8.226 1.00 15.97 O ATOM 195 CB ILE A 21 13.819 -2.743 8.016 1.00 15.94 C ATOM 196 CG1 ILE A 21 13.249 -2.211 9.351 1.00 17.33 C ATOM 197 CG2 ILE A 21 13.772 -4.259 7.970 1.00 18.16 C ATOM 198 CD1 ILE A 21 11.739 -2.418 9.451 1.00 18.68 C ATOM 199 H ILE A 21 15.743 -2.800 9.729 1.00 0.00 H ATOM 200 N LYS A 22 14.909 -0.442 6.124 1.00 13.08 N ATOM 201 CA LYS A 22 14.802 0.920 5.646 1.00 12.83 C ATOM 202 C LYS A 22 13.409 1.084 5.068 1.00 11.03 C ATOM 203 O LYS A 22 13.212 1.259 3.873 1.00 12.03 O ATOM 204 CB LYS A 22 15.879 1.244 4.590 1.00 14.62 C ATOM 205 CG LYS A 22 17.309 1.189 5.195 1.00 16.97 C ATOM 206 CD LYS A 22 18.436 1.455 4.221 1.00 22.12 C ATOM 207 CE LYS A 22 19.756 1.448 4.968 1.00 27.58 C ATOM 208 NZ LYS A 22 20.925 1.609 4.057 1.00 26.67 N ATOM 209 HZ1 LYS A 22 20.939 0.827 3.371 1.00 0.00 H ATOM 210 HZ2 LYS A 22 20.846 2.514 3.551 1.00 0.00 H ATOM 211 HZ3 LYS A 22 21.802 1.598 4.615 1.00 0.00 H ATOM 212 H LYS A 22 14.717 -1.214 5.454 1.00 0.00 H ATOM 213 N PRO A 23 12.388 1.043 5.941 1.00 11.19 N ATOM 214 CA PRO A 23 11.022 0.926 5.465 1.00 10.89 C ATOM 215 C PRO A 23 10.510 2.175 4.826 1.00 9.47 C ATOM 216 O PRO A 23 10.896 3.292 5.181 1.00 11.03 O ATOM 217 CB PRO A 23 10.259 0.630 6.737 1.00 11.61 C ATOM 218 CG PRO A 23 11.038 1.286 7.819 1.00 11.55 C ATOM 219 CD PRO A 23 12.453 1.071 7.410 1.00 12.05 C ATOM 220 N ILE A 24 9.578 1.990 3.901 1.00 10.56 N ATOM 221 CA ILE A 24 8.829 3.050 3.270 1.00 9.89 C ATOM 222 C ILE A 24 7.484 3.219 3.943 1.00 9.58 C ATOM 223 O ILE A 24 6.701 2.234 4.039 1.00 10.67 O ATOM 224 CB ILE A 24 8.721 2.808 1.774 1.00 10.34 C ATOM 225 CG1 ILE A 24 10.137 2.725 1.186 1.00 13.15 C ATOM 226 CG2 ILE A 24 7.855 3.893 1.136 1.00 11.57 C ATOM 227 CD1 ILE A 24 10.170 2.406 -0.336 1.00 15.71 C ATOM 228 H ILE A 24 9.372 1.013 3.610 1.00 0.00 H ATOM 229 N LEU A 25 7.243 4.416 4.488 1.00 9.36 N ATOM 230 CA LEU A 25 6.068 4.700 5.304 1.00 10.05 C ATOM 231 C LEU A 25 5.396 5.951 4.802 1.00 9.22 C ATOM 232 O LEU A 25 6.035 6.799 4.131 1.00 11.85 O ATOM 233 CB LEU A 25 6.517 4.941 6.784 1.00 11.80 C ATOM 234 CG LEU A 25 7.314 3.822 7.443 1.00 12.33 C ATOM 235 CD1 LEU A 25 7.745 4.312 8.823 1.00 14.60 C ATOM 236 CD2 LEU A 25 6.520 2.571 7.544 1.00 13.83 C ATOM 237 H LEU A 25 7.927 5.182 4.322 1.00 0.00 H ATOM 238 N GLN A 26 4.105 6.060 5.083 1.00 9.50 N ATOM 239 CA GLN A 26 3.371 7.275 4.783 1.00 9.70 C ATOM 240 C GLN A 26 3.113 8.053 6.065 1.00 9.42 C ATOM 241 O GLN A 26 2.767 7.562 7.054 1.00 11.15 O ATOM 242 CB GLN A 26 2.063 6.980 4.076 1.00 10.21 C ATOM 243 CG GLN A 26 1.349 8.233 3.634 1.00 9.78 C ATOM 244 CD GLN A 26 0.033 7.979 2.951 1.00 10.88 C ATOM 245 OE1 GLN A 26 -0.716 7.053 3.281 1.00 12.04 O ATOM 246 NE2 GLN A 26 -0.287 8.824 1.981 1.00 11.83 N ATOM 247 HE22 GLN A 26 0.364 9.594 1.726 1.00 0.00 H ATOM 248 HE21 GLN A 26 -1.189 8.717 1.475 1.00 0.00 H ATOM 249 H GLN A 26 3.610 5.260 5.526 1.00 0.00 H ATOM 250 N VAL A 27 3.343 9.339 5.953 1.00 9.87 N ATOM 251 CA VAL A 27 2.999 10.281 7.006 1.00 9.58 C ATOM 252 C VAL A 27 1.499 10.540 6.984 1.00 10.60 C ATOM 253 O VAL A 27 0.969 10.924 5.981 1.00 12.13 O ATOM 254 CB VAL A 27 3.700 11.648 6.848 1.00 11.27 C ATOM 255 CG1 VAL A 27 3.320 12.589 7.971 1.00 12.66 C ATOM 256 CG2 VAL A 27 5.205 11.507 6.842 1.00 13.06 C ATOM 257 H VAL A 27 3.786 9.697 5.083 1.00 0.00 H ATOM 258 N ILE A 28 0.850 10.257 8.094 1.00 10.61 N ATOM 259 CA ILE A 28 -0.599 10.515 8.191 1.00 11.59 C ATOM 260 C ILE A 28 -0.805 11.839 8.863 1.00 12.70 C ATOM 261 O ILE A 28 -1.661 12.606 8.340 1.00 14.99 O ATOM 262 CB ILE A 28 -1.324 9.413 8.966 1.00 11.88 C ATOM 263 CG1 ILE A 28 -1.096 8.058 8.309 1.00 15.16 C ATOM 264 CG2 ILE A 28 -2.817 9.672 9.003 1.00 15.01 C ATOM 265 CD1 ILE A 28 -1.496 7.942 6.848 1.00 16.06 C ATOM 266 H ILE A 28 1.360 9.851 8.904 1.00 0.00 H ATOM 267 N ASN A 29 -0.071 12.170 9.924 1.00 12.44 N ATOM 268 CA ASN A 29 -0.204 13.452 10.563 1.00 12.69 C ATOM 269 C ASN A 29 1.090 13.818 11.208 1.00 11.64 C ATOM 270 O ASN A 29 1.909 12.957 11.567 1.00 12.64 O ATOM 271 CB ASN A 29 -1.370 13.431 11.581 1.00 17.48 C ATOM 272 CG ASN A 29 -1.651 14.796 12.141 1.00 24.96 C ATOM 273 OD1 ASN A 29 -1.792 15.743 11.375 1.00 26.13 O ATOM 274 ND2 ASN A 29 -1.591 14.919 13.462 1.00 27.10 N ATOM 275 HD22 ASN A 29 -1.470 14.075 14.058 1.00 0.00 H ATOM 276 HD21 ASN A 29 -1.665 15.859 13.901 1.00 0.00 H ATOM 277 H ASN A 29 0.615 11.485 10.300 1.00 0.00 H ATOM 278 N ILE A 30 1.276 15.121 11.382 1.00 13.07 N ATOM 279 CA ILE A 30 2.426 15.658 12.090 1.00 13.30 C ATOM 280 C ILE A 30 1.954 16.775 13.013 1.00 15.12 C ATOM 281 O ILE A 30 1.174 17.638 12.608 1.00 17.63 O ATOM 282 CB ILE A 30 3.480 16.216 11.117 1.00 16.40 C ATOM 283 CG1 ILE A 30 3.813 15.178 10.044 1.00 14.59 C ATOM 284 CG2 ILE A 30 4.736 16.619 11.873 1.00 18.22 C ATOM 285 CD1 ILE A 30 4.727 15.699 8.957 1.00 16.05 C ATOM 286 H ILE A 30 0.572 15.783 10.997 1.00 0.00 H ATOM 287 N ARG A 31 2.426 16.752 14.234 1.00 14.70 N ATOM 288 CA ARG A 31 2.054 17.732 15.246 1.00 18.26 C ATOM 289 C ARG A 31 3.255 18.089 16.075 1.00 16.09 C ATOM 290 O ARG A 31 4.028 17.270 16.416 1.00 16.09 O ATOM 291 CB ARG A 31 0.982 17.154 16.136 1.00 23.43 C ATOM 292 H ARG A 31 3.097 16.000 14.493 1.00 0.00 H ATOM 293 N PRO A 32 3.408 19.346 16.416 1.00 16.22 N ATOM 294 CA PRO A 32 4.415 19.726 17.370 1.00 15.52 C ATOM 295 C PRO A 32 4.081 19.279 18.766 1.00 18.44 C ATOM 296 O PRO A 32 2.940 19.129 19.047 1.00 19.74 O ATOM 297 CB PRO A 32 4.421 21.262 17.313 1.00 17.19 C ATOM 298 CG PRO A 32 3.344 21.627 16.469 1.00 18.73 C ATOM 299 CD PRO A 32 2.549 20.473 16.070 1.00 18.69 C ATOM 300 N ILE A 33 5.113 19.038 19.537 1.00 19.41 N ATOM 301 CA ILE A 33 4.952 18.714 20.964 1.00 24.33 C ATOM 302 C ILE A 33 5.250 19.960 21.750 1.00 28.91 C ATOM 303 O ILE A 33 5.992 20.830 21.270 1.00 33.20 O ATOM 304 CB ILE A 33 5.947 17.604 21.292 1.00 28.42 C ATOM 305 CG1 ILE A 33 5.339 16.332 20.749 1.00 31.35 C ATOM 306 CG2 ILE A 33 6.298 17.588 22.761 1.00 35.29 C ATOM 307 CD1 ILE A 33 5.951 15.225 21.267 1.00 34.48 C ATOM 308 H ILE A 33 6.070 19.077 19.131 1.00 0.00 H ATOM 309 N THR A 34 4.705 20.072 22.965 1.00 31.69 N ATOM 310 CA THR A 34 5.095 21.204 23.806 1.00 36.67 C ATOM 311 C THR A 34 6.543 21.054 24.306 1.00 41.45 C ATOM 312 O THR A 34 6.852 20.092 25.018 1.00 42.67 O ATOM 313 CB THR A 34 4.161 21.367 25.000 1.00 38.79 C ATOM 314 OG1 THR A 34 2.806 21.443 24.534 1.00 40.08 O ATOM 315 CG2 THR A 34 4.524 22.651 25.771 1.00 38.81 C ATOM 316 HG1 THR A 34 2.579 20.612 24.046 1.00 0.00 H ATOM 317 H THR A 34 4.018 19.369 23.306 1.00 0.00 H ATOM 318 N THR A 35 7.419 21.995 23.943 1.00 45.34 N ATOM 319 CA THR A 35 8.834 21.902 24.320 1.00 48.88 C ATOM 320 C THR A 35 9.251 23.031 25.236 1.00 51.82 C ATOM 321 O THR A 35 10.018 22.829 26.175 1.00 53.66 O ATOM 322 CB THR A 35 9.775 21.982 23.102 1.00 48.97 C ATOM 323 H THR A 35 7.092 22.808 23.383 1.00 0.00 H ATOM 324 N GLY A 36 8.774 24.228 24.925 1.00 52.28 N ATOM 325 CA GLY A 36 9.194 25.422 25.637 1.00 51.71 C ATOM 326 C GLY A 36 10.500 25.993 25.114 1.00 51.12 C ATOM 327 O GLY A 36 10.659 26.209 23.914 1.00 50.96 O ATOM 328 H GLY A 36 8.083 24.314 24.153 1.00 0.00 H ATOM 329 N ASN A 37 11.441 26.232 26.022 1.00 50.29 N ATOM 330 CA ASN A 37 12.661 26.965 25.695 1.00 50.13 C ATOM 331 C ASN A 37 13.762 26.083 25.107 1.00 48.79 C ATOM 332 O ASN A 37 14.875 26.016 25.631 1.00 47.81 O ATOM 333 CB ASN A 37 13.184 27.675 26.948 1.00 50.96 C ATOM 334 H ASN A 37 11.304 25.887 26.994 1.00 0.00 H ATOM 335 N SER A 38 13.439 25.424 24.004 1.00 48.28 N ATOM 336 CA SER A 38 14.338 24.493 23.339 1.00 45.69 C ATOM 337 C SER A 38 13.642 24.249 22.014 1.00 41.16 C ATOM 338 O SER A 38 12.474 24.619 21.883 1.00 40.48 O ATOM 339 CB SER A 38 14.465 23.211 24.161 1.00 47.23 C ATOM 340 OG SER A 38 15.634 22.480 23.840 1.00 48.06 O ATOM 341 HG SER A 38 15.673 21.661 24.395 1.00 0.00 H ATOM 342 H SER A 38 12.496 25.580 23.593 1.00 0.00 H ATOM 343 N PRO A 39 14.339 23.659 21.020 1.00 36.96 N ATOM 344 CA PRO A 39 13.776 23.580 19.660 1.00 32.05 C ATOM 345 C PRO A 39 12.451 22.824 19.602 1.00 26.07 C ATOM 346 O PRO A 39 12.251 21.915 20.393 1.00 26.92 O ATOM 347 CB PRO A 39 14.851 22.794 18.884 1.00 33.69 C ATOM 348 CG PRO A 39 16.102 23.006 19.649 1.00 35.67 C ATOM 349 CD PRO A 39 15.688 23.069 21.082 1.00 36.30 C ATOM 350 N PRO A 40 11.564 23.154 18.646 1.00 25.16 N ATOM 351 CA PRO A 40 10.369 22.325 18.569 1.00 23.62 C ATOM 352 C PRO A 40 10.710 20.872 18.297 1.00 19.80 C ATOM 353 O PRO A 40 11.791 20.533 17.759 1.00 20.25 O ATOM 354 CB PRO A 40 9.588 22.924 17.401 1.00 28.11 C ATOM 355 CG PRO A 40 10.597 23.571 16.566 1.00 31.03 C ATOM 356 CD PRO A 40 11.641 24.102 17.515 1.00 28.82 C ATOM 357 N ARG A 41 9.826 19.977 18.694 1.00 20.20 N ATOM 358 CA ARG A 41 9.931 18.583 18.337 1.00 19.32 C ATOM 359 C ARG A 41 8.619 18.200 17.699 1.00 17.67 C ATOM 360 O ARG A 41 7.549 18.725 18.087 1.00 21.52 O ATOM 361 CB ARG A 41 10.238 17.663 19.524 1.00 24.99 C ATOM 362 CG ARG A 41 10.678 16.311 18.967 1.00 33.52 C ATOM 363 CD ARG A 41 11.267 15.386 19.967 1.00 35.15 C ATOM 364 NE ARG A 41 12.568 15.813 20.449 1.00 33.81 N ATOM 365 CZ ARG A 41 13.750 15.540 19.896 1.00 29.51 C ATOM 366 NH1 ARG A 41 14.840 15.980 20.533 1.00 30.77 N ATOM 367 NH2 ARG A 41 13.884 14.863 18.743 1.00 26.92 N ATOM 368 HE ARG A 41 12.579 16.391 21.314 1.00 0.00 H ATOM 369 HH12 ARG A 41 15.784 15.791 20.140 1.00 0.00 H ATOM 370 HH11 ARG A 41 14.744 16.511 21.422 1.00 0.00 H ATOM 371 HH22 ARG A 41 14.831 14.677 18.356 1.00 0.00 H ATOM 372 HH21 ARG A 41 13.040 14.525 18.238 1.00 0.00 H ATOM 373 H ARG A 41 9.027 20.286 19.284 1.00 0.00 H ATOM 374 N TYR A 42 8.697 17.366 16.679 1.00 13.81 N ATOM 375 CA TYR A 42 7.530 16.907 15.946 1.00 13.72 C ATOM 376 C TYR A 42 7.294 15.447 16.177 1.00 13.58 C ATOM 377 O TYR A 42 8.232 14.646 16.134 1.00 15.48 O ATOM 378 CB TYR A 42 7.703 17.148 14.454 1.00 13.38 C ATOM 379 CG TYR A 42 7.829 18.633 14.167 1.00 13.48 C ATOM 380 CD1 TYR A 42 6.722 19.465 14.216 1.00 14.12 C ATOM 381 CD2 TYR A 42 9.060 19.184 13.906 1.00 14.58 C ATOM 382 CE1 TYR A 42 6.864 20.846 13.987 1.00 14.97 C ATOM 383 CE2 TYR A 42 9.220 20.568 13.727 1.00 16.19 C ATOM 384 CZ TYR A 42 8.123 21.350 13.738 1.00 15.97 C ATOM 385 OH TYR A 42 8.261 22.739 13.566 1.00 18.65 O ATOM 386 HH TYR A 42 8.683 22.921 12.689 1.00 0.00 H ATOM 387 H TYR A 42 9.634 17.023 16.388 1.00 0.00 H ATOM 388 N ARG A 43 6.027 15.143 16.445 1.00 12.47 N ATOM 389 CA ARG A 43 5.525 13.766 16.594 1.00 12.32 C ATOM 390 C ARG A 43 4.741 13.416 15.370 1.00 11.72 C ATOM 391 O ARG A 43 4.003 14.245 14.800 1.00 13.85 O ATOM 392 CB ARG A 43 4.607 13.671 17.789 1.00 14.95 C ATOM 393 CG ARG A 43 4.088 12.277 18.087 1.00 15.35 C ATOM 394 CD ARG A 43 3.345 12.256 19.408 1.00 19.22 C ATOM 395 NE ARG A 43 2.865 10.909 19.681 1.00 20.79 N ATOM 396 CZ ARG A 43 2.200 10.562 20.769 1.00 22.74 C ATOM 397 NH1 ARG A 43 1.826 9.299 20.920 1.00 24.93 N ATOM 398 NH2 ARG A 43 1.923 11.469 21.707 1.00 27.30 N ATOM 399 HE ARG A 43 3.058 10.172 18.974 1.00 0.00 H ATOM 400 HH12 ARG A 43 1.302 9.010 21.771 1.00 0.00 H ATOM 401 HH11 ARG A 43 2.057 8.597 20.188 1.00 0.00 H ATOM 402 HH22 ARG A 43 1.399 11.190 22.561 1.00 0.00 H ATOM 403 HH21 ARG A 43 2.231 12.455 21.584 1.00 0.00 H ATOM 404 H ARG A 43 5.350 15.925 16.556 1.00 0.00 H ATOM 405 N LEU A 44 4.911 12.189 14.877 1.00 12.05 N ATOM 406 CA LEU A 44 4.293 11.777 13.625 1.00 10.61 C ATOM 407 C LEU A 44 3.440 10.531 13.833 1.00 11.00 C ATOM 408 O LEU A 44 3.870 9.586 14.496 1.00 12.79 O ATOM 409 CB LEU A 44 5.321 11.470 12.556 1.00 11.50 C ATOM 410 CG LEU A 44 6.119 12.680 12.102 1.00 13.44 C ATOM 411 CD1 LEU A 44 7.308 12.933 13.004 1.00 18.08 C ATOM 412 CD2 LEU A 44 6.597 12.503 10.700 1.00 15.46 C ATOM 413 H LEU A 44 5.500 11.509 15.400 1.00 0.00 H ATOM 414 N LEU A 45 2.286 10.519 13.189 1.00 10.62 N ATOM 415 CA LEU A 45 1.472 9.324 12.998 1.00 11.14 C ATOM 416 C LEU A 45 1.846 8.815 11.622 1.00 9.92 C ATOM 417 O LEU A 45 1.626 9.529 10.629 1.00 10.93 O ATOM 418 CB LEU A 45 -0.012 9.717 13.065 1.00 13.28 C ATOM 419 CG LEU A 45 -0.993 8.572 12.816 1.00 13.78 C ATOM 420 CD1 LEU A 45 -0.954 7.542 13.870 1.00 15.82 C ATOM 421 CD2 LEU A 45 -2.445 9.091 12.682 1.00 15.82 C ATOM 422 H LEU A 45 1.937 11.416 12.795 1.00 0.00 H ATOM 423 N MET A 46 2.407 7.603 11.542 1.00 10.37 N ATOM 424 CA MET A 46 2.827 7.065 10.248 1.00 10.50 C ATOM 425 C MET A 46 2.203 5.748 9.971 1.00 9.69 C ATOM 426 O MET A 46 1.720 5.040 10.889 1.00 11.10 O ATOM 427 CB MET A 46 4.352 6.965 10.114 1.00 10.94 C ATOM 428 CG MET A 46 5.036 8.278 10.496 1.00 10.46 C ATOM 429 SD MET A 46 6.797 8.182 10.304 1.00 11.74 S ATOM 430 CE MET A 46 6.698 8.259 8.482 1.00 14.84 C ATOM 431 H MET A 46 2.545 7.040 12.405 1.00 0.00 H ATOM 432 N SER A 47 2.073 5.498 8.693 1.00 9.91 N ATOM 433 CA SER A 47 1.529 4.213 8.206 1.00 10.67 C ATOM 434 C SER A 47 2.459 3.384 7.381 1.00 10.17 C ATOM 435 O SER A 47 3.203 3.938 6.583 1.00 11.23 O ATOM 436 CB SER A 47 0.324 4.585 7.360 1.00 11.46 C ATOM 437 OG SER A 47 -0.173 3.444 6.672 1.00 11.93 O ATOM 438 HG SER A 47 -0.957 3.705 6.126 1.00 0.00 H ATOM 439 H SER A 47 2.360 6.221 8.003 1.00 0.00 H ATOM 440 N ASP A 48 2.377 2.051 7.566 1.00 11.26 N ATOM 441 CA ASP A 48 3.069 1.103 6.679 1.00 11.86 C ATOM 442 C ASP A 48 2.093 0.466 5.721 1.00 13.50 C ATOM 443 O ASP A 48 2.502 -0.537 5.077 1.00 15.24 O ATOM 444 CB ASP A 48 3.879 0.041 7.461 1.00 12.85 C ATOM 445 CG ASP A 48 3.044 -0.935 8.195 1.00 12.98 C ATOM 446 OD1 ASP A 48 1.809 -0.863 8.127 1.00 13.61 O ATOM 447 OD2 ASP A 48 3.695 -1.850 8.786 1.00 14.78 O ATOM 448 H ASP A 48 1.810 1.683 8.356 1.00 0.00 H ATOM 449 N GLY A 49 0.849 0.919 5.624 1.00 13.82 N ATOM 450 CA GLY A 49 -0.150 0.327 4.741 1.00 15.15 C ATOM 451 C GLY A 49 -1.016 -0.686 5.426 1.00 20.29 C ATOM 452 O GLY A 49 -2.160 -0.970 5.001 1.00 26.94 O ATOM 453 H GLY A 49 0.573 1.736 6.206 1.00 0.00 H ATOM 454 N LEU A 50 -0.510 -1.231 6.494 1.00 16.37 N ATOM 455 CA LEU A 50 -1.252 -2.211 7.305 1.00 18.56 C ATOM 456 C LEU A 50 -1.691 -1.652 8.651 1.00 15.74 C ATOM 457 O LEU A 50 -2.814 -1.769 9.110 1.00 17.79 O ATOM 458 CB LEU A 50 -0.335 -3.408 7.549 1.00 27.66 C ATOM 459 CG LEU A 50 -0.835 -4.830 7.349 1.00 29.84 C ATOM 460 CD1 LEU A 50 -1.683 -4.982 6.085 1.00 28.11 C ATOM 461 CD2 LEU A 50 0.407 -5.753 7.347 1.00 25.78 C ATOM 462 H LEU A 50 0.452 -0.965 6.785 1.00 0.00 H ATOM 463 N ASN A 51 -0.697 -1.039 9.304 1.00 14.75 N ATOM 464 CA ASN A 51 -0.861 -0.395 10.578 1.00 13.17 C ATOM 465 C ASN A 51 -0.496 1.062 10.542 1.00 12.10 C ATOM 466 O ASN A 51 0.290 1.509 9.694 1.00 12.26 O ATOM 467 CB ASN A 51 0.067 -1.036 11.650 1.00 14.20 C ATOM 468 CG ASN A 51 -0.366 -2.422 12.100 1.00 16.29 C ATOM 469 OD1 ASN A 51 0.343 -3.383 11.863 1.00 18.13 O ATOM 470 ND2 ASN A 51 -1.538 -2.511 12.677 1.00 16.32 N ATOM 471 HD22 ASN A 51 -2.098 -1.652 12.853 1.00 0.00 H ATOM 472 HD21 ASN A 51 -1.909 -3.441 12.959 1.00 0.00 H ATOM 473 H ASN A 51 0.246 -1.028 8.865 1.00 0.00 H ATOM 474 N THR A 52 -1.054 1.805 11.491 1.00 12.84 N ATOM 475 CA THR A 52 -0.512 3.119 11.878 1.00 12.74 C ATOM 476 C THR A 52 0.136 3.010 13.224 1.00 12.99 C ATOM 477 O THR A 52 -0.188 2.111 14.034 1.00 15.89 O ATOM 478 CB THR A 52 -1.561 4.229 11.883 1.00 15.11 C ATOM 479 OG1 THR A 52 -2.615 3.911 12.828 1.00 16.82 O ATOM 480 CG2 THR A 52 -2.189 4.456 10.502 1.00 15.67 C ATOM 481 HG1 THR A 52 -3.290 4.636 12.824 1.00 0.00 H ATOM 482 H THR A 52 -1.901 1.447 11.977 1.00 0.00 H ATOM 483 N LEU A 53 1.012 3.921 13.554 1.00 13.68 N ATOM 484 CA LEU A 53 1.699 4.001 14.843 1.00 14.17 C ATOM 485 C LEU A 53 1.944 5.490 15.090 1.00 12.44 C ATOM 486 O LEU A 53 2.434 6.204 14.223 1.00 11.79 O ATOM 487 CB LEU A 53 3.020 3.233 14.798 1.00 17.03 C ATOM 488 CG LEU A 53 3.785 3.069 16.123 1.00 20.03 C ATOM 489 CD1 LEU A 53 3.175 2.045 17.076 1.00 24.86 C ATOM 490 CD2 LEU A 53 5.225 2.696 15.836 1.00 19.87 C ATOM 491 H LEU A 53 1.239 4.647 12.844 1.00 0.00 H ATOM 492 N SER A 54 1.654 5.937 16.309 1.00 14.20 N ATOM 493 CA SER A 54 1.683 7.322 16.664 1.00 13.70 C ATOM 494 C SER A 54 2.937 7.737 17.392 1.00 13.47 C ATOM 495 O SER A 54 3.097 8.915 17.756 1.00 15.57 O ATOM 496 CB SER A 54 0.474 7.591 17.574 1.00 18.71 C ATOM 497 OG SER A 54 0.683 7.121 18.858 1.00 18.67 O ATOM 498 HG SER A 54 0.840 6.144 18.829 1.00 0.00 H ATOM 499 H SER A 54 1.393 5.245 17.040 1.00 0.00 H ATOM 500 N SER A 55 3.853 6.822 17.634 1.00 14.29 N ATOM 501 CA SER A 55 4.971 7.160 18.533 1.00 14.37 C ATOM 502 C SER A 55 6.273 7.413 17.824 1.00 13.89 C ATOM 503 O SER A 55 7.349 7.196 18.323 1.00 18.20 O ATOM 504 CB SER A 55 5.149 6.044 19.516 1.00 18.88 C ATOM 505 OG SER A 55 5.460 4.891 18.758 1.00 20.30 O ATOM 506 HG SER A 55 6.292 5.049 18.245 1.00 0.00 H ATOM 507 H SER A 55 3.789 5.879 17.199 1.00 0.00 H ATOM 508 N PHE A 56 6.191 7.989 16.653 1.00 12.83 N ATOM 509 CA PHE A 56 7.353 8.460 15.931 1.00 12.52 C ATOM 510 C PHE A 56 7.643 9.870 16.318 1.00 13.13 C ATOM 511 O PHE A 56 6.756 10.725 16.471 1.00 13.74 O ATOM 512 CB PHE A 56 7.140 8.441 14.420 1.00 12.74 C ATOM 513 CG PHE A 56 7.039 7.075 13.853 1.00 13.45 C ATOM 514 CD1 PHE A 56 5.822 6.462 13.720 1.00 16.38 C ATOM 515 CD2 PHE A 56 8.157 6.404 13.449 1.00 13.49 C ATOM 516 CE1 PHE A 56 5.731 5.207 13.176 1.00 18.29 C ATOM 517 CE2 PHE A 56 8.085 5.131 12.925 1.00 14.48 C ATOM 518 CZ PHE A 56 6.857 4.529 12.800 1.00 15.62 C ATOM 519 H PHE A 56 5.252 8.114 16.223 1.00 0.00 H ATOM 520 N MET A 57 8.939 10.144 16.435 1.00 13.36 N ATOM 521 CA MET A 57 9.439 11.491 16.673 1.00 15.09 C ATOM 522 C MET A 57 10.588 11.789 15.711 1.00 14.61 C ATOM 523 O MET A 57 11.405 10.917 15.416 1.00 16.30 O ATOM 524 CB MET A 57 9.916 11.635 18.118 1.00 21.80 C ATOM 525 CG MET A 57 8.902 11.173 19.153 1.00 31.51 C ATOM 526 SD MET A 57 8.050 12.545 19.954 1.00 42.54 S ATOM 527 CE MET A 57 9.194 12.928 21.278 1.00 34.51 C ATOM 528 H MET A 57 9.623 9.365 16.353 1.00 0.00 H ATOM 529 N LEU A 58 10.644 13.026 15.227 1.00 13.87 N ATOM 530 CA LEU A 58 11.671 13.453 14.312 1.00 14.66 C ATOM 531 C LEU A 58 12.881 13.947 15.043 1.00 15.16 C ATOM 532 O LEU A 58 12.757 14.689 15.955 1.00 15.68 O ATOM 533 CB LEU A 58 11.132 14.581 13.437 1.00 15.98 C ATOM 534 CG LEU A 58 11.819 14.875 12.139 1.00 19.09 C ATOM 535 CD1 LEU A 58 11.691 13.737 11.169 1.00 21.32 C ATOM 536 CD2 LEU A 58 11.123 16.103 11.579 1.00 20.54 C ATOM 537 H LEU A 58 9.919 13.711 15.520 1.00 0.00 H ATOM 538 N ALA A 59 14.049 13.552 14.568 1.00 16.12 N ATOM 539 CA ALA A 59 15.270 14.146 15.083 1.00 15.21 C ATOM 540 C ALA A 59 15.247 15.631 14.793 1.00 14.70 C ATOM 541 O ALA A 59 14.788 16.062 13.744 1.00 14.08 O ATOM 542 CB ALA A 59 16.472 13.513 14.463 1.00 16.92 C ATOM 543 H ALA A 59 14.094 12.820 13.830 1.00 0.00 H ATOM 544 N THR A 60 15.749 16.453 15.718 1.00 17.61 N ATOM 545 CA THR A 60 15.735 17.899 15.570 1.00 16.82 C ATOM 546 C THR A 60 16.395 18.367 14.296 1.00 17.21 C ATOM 547 O THR A 60 15.959 19.357 13.663 1.00 17.48 O ATOM 548 CB THR A 60 16.446 18.553 16.756 1.00 17.02 C ATOM 549 OG1 THR A 60 15.947 17.966 17.956 1.00 17.36 O ATOM 550 CG2 THR A 60 16.185 20.056 16.749 1.00 17.39 C ATOM 551 HG1 THR A 60 16.128 16.993 17.946 1.00 0.00 H ATOM 552 H THR A 60 16.166 16.043 16.578 1.00 0.00 H ATOM 553 N GLN A 61 17.448 17.656 13.905 1.00 16.36 N ATOM 554 CA GLN A 61 18.165 17.998 12.678 1.00 18.61 C ATOM 555 C GLN A 61 17.281 17.955 11.444 1.00 18.67 C ATOM 556 O GLN A 61 17.603 18.653 10.463 1.00 21.39 O ATOM 557 CB GLN A 61 19.379 17.086 12.462 1.00 20.32 C ATOM 558 CG GLN A 61 19.025 15.568 12.237 1.00 24.71 C ATOM 559 CD GLN A 61 20.132 14.546 12.543 1.00 28.41 C ATOM 560 OE1 GLN A 61 21.081 14.806 13.267 1.00 28.00 O ATOM 561 NE2 GLN A 61 19.967 13.357 12.013 1.00 31.96 N ATOM 562 HE22 GLN A 61 19.147 13.170 11.401 1.00 0.00 H ATOM 563 HE21 GLN A 61 20.656 12.602 12.205 1.00 0.00 H ATOM 564 H GLN A 61 17.765 16.848 14.478 1.00 0.00 H ATOM 565 N LEU A 62 16.158 17.221 11.483 1.00 15.50 N ATOM 566 CA LEU A 62 15.276 17.147 10.356 1.00 16.56 C ATOM 567 C LEU A 62 14.108 18.124 10.398 1.00 14.90 C ATOM 568 O LEU A 62 13.302 18.156 9.499 1.00 13.87 O ATOM 569 CB LEU A 62 14.753 15.742 10.246 1.00 18.24 C ATOM 570 CG LEU A 62 15.783 14.625 10.014 1.00 23.76 C ATOM 571 CD1 LEU A 62 15.051 13.292 9.803 1.00 26.14 C ATOM 572 CD2 LEU A 62 16.662 14.952 8.862 1.00 28.26 C ATOM 573 H LEU A 62 15.923 16.695 12.349 1.00 0.00 H ATOM 574 N ASN A 63 14.080 18.959 11.435 1.00 14.15 N ATOM 575 CA ASN A 63 12.998 19.928 11.558 1.00 13.84 C ATOM 576 C ASN A 63 12.750 20.801 10.296 1.00 13.55 C ATOM 577 O ASN A 63 11.623 21.078 9.943 1.00 13.15 O ATOM 578 CB ASN A 63 13.186 20.846 12.782 1.00 13.35 C ATOM 579 CG ASN A 63 12.797 20.186 14.072 1.00 14.71 C ATOM 580 OD1 ASN A 63 12.429 19.027 14.124 1.00 15.94 O ATOM 581 ND2 ASN A 63 12.930 20.925 15.161 1.00 16.61 N ATOM 582 HD22 ASN A 63 13.247 21.913 15.084 1.00 0.00 H ATOM 583 HD21 ASN A 63 12.718 20.518 16.094 1.00 0.00 H ATOM 584 H ASN A 63 14.829 18.920 12.156 1.00 0.00 H ATOM 585 N PRO A 64 13.819 21.198 9.598 1.00 13.01 N ATOM 586 CA PRO A 64 13.587 22.025 8.405 1.00 14.01 C ATOM 587 C PRO A 64 12.709 21.352 7.381 1.00 13.53 C ATOM 588 O PRO A 64 11.999 22.027 6.670 1.00 14.35 O ATOM 589 CB PRO A 64 14.992 22.227 7.851 1.00 15.30 C ATOM 590 CG PRO A 64 15.832 22.228 9.078 1.00 17.03 C ATOM 591 CD PRO A 64 15.245 21.088 9.909 1.00 14.71 C ATOM 592 N LEU A 65 12.708 20.017 7.318 1.00 12.81 N ATOM 593 CA LEU A 65 11.829 19.355 6.362 1.00 12.88 C ATOM 594 C LEU A 65 10.350 19.610 6.664 1.00 13.12 C ATOM 595 O LEU A 65 9.539 19.696 5.746 1.00 13.92 O ATOM 596 CB LEU A 65 12.124 17.860 6.281 1.00 12.78 C ATOM 597 CG LEU A 65 13.340 17.329 5.500 1.00 14.83 C ATOM 598 CD1 LEU A 65 14.647 17.967 5.881 1.00 15.94 C ATOM 599 CD2 LEU A 65 13.415 15.803 5.733 1.00 16.96 C ATOM 600 H LEU A 65 13.325 19.459 7.942 1.00 0.00 H ATOM 601 N VAL A 66 10.008 19.736 7.924 1.00 12.51 N ATOM 602 CA VAL A 66 8.646 20.039 8.308 1.00 12.69 C ATOM 603 C VAL A 66 8.423 21.529 8.114 1.00 13.08 C ATOM 604 O VAL A 66 7.404 21.917 7.552 1.00 15.05 O ATOM 605 CB VAL A 66 8.399 19.623 9.780 1.00 14.96 C ATOM 606 CG1 VAL A 66 7.042 20.064 10.239 1.00 12.69 C ATOM 607 CG2 VAL A 66 8.544 18.132 9.974 1.00 17.36 C ATOM 608 H VAL A 66 10.731 19.616 8.662 1.00 0.00 H ATOM 609 N GLU A 67 9.319 22.354 8.542 1.00 13.30 N ATOM 610 CA GLU A 67 9.129 23.785 8.504 1.00 15.57 C ATOM 611 C GLU A 67 9.086 24.343 7.089 1.00 15.06 C ATOM 612 O GLU A 67 8.377 25.269 6.825 1.00 19.00 O ATOM 613 CB GLU A 67 10.141 24.449 9.420 1.00 21.32 C ATOM 614 CG GLU A 67 9.847 24.017 10.862 1.00 23.94 C ATOM 615 CD GLU A 67 10.942 24.223 11.870 1.00 28.59 C ATOM 616 OE1 GLU A 67 12.018 24.638 11.469 1.00 34.59 O ATOM 617 OE2 GLU A 67 10.710 23.914 13.058 1.00 28.16 O ATOM 618 H GLU A 67 10.208 21.975 8.927 1.00 0.00 H ATOM 619 N GLU A 68 9.779 23.702 6.160 1.00 14.37 N ATOM 620 CA GLU A 68 9.725 24.147 4.760 1.00 15.43 C ATOM 621 C GLU A 68 8.735 23.347 3.915 1.00 15.94 C ATOM 622 O GLU A 68 8.720 23.453 2.704 1.00 17.18 O ATOM 623 CB GLU A 68 11.114 24.145 4.167 1.00 16.35 C ATOM 624 CG GLU A 68 12.047 24.992 5.000 1.00 18.74 C ATOM 625 CD GLU A 68 13.403 25.267 4.413 1.00 20.28 C ATOM 626 OE1 GLU A 68 14.377 25.446 5.212 1.00 22.07 O ATOM 627 OE2 GLU A 68 13.495 25.317 3.163 1.00 20.82 O ATOM 628 H GLU A 68 10.363 22.882 6.422 1.00 0.00 H ATOM 629 N GLU A 69 7.918 22.539 4.600 1.00 17.41 N ATOM 630 CA GLU A 69 6.751 21.821 4.052 1.00 18.59 C ATOM 631 C GLU A 69 7.048 20.713 3.091 1.00 21.07 C ATOM 632 O GLU A 69 6.187 20.359 2.297 1.00 27.01 O ATOM 633 CB GLU A 69 5.713 22.790 3.432 1.00 22.28 C ATOM 634 CG GLU A 69 5.448 23.972 4.309 1.00 26.98 C ATOM 635 CD GLU A 69 4.306 24.830 3.811 1.00 35.14 C ATOM 636 OE1 GLU A 69 3.551 24.392 2.924 1.00 40.27 O ATOM 637 OE2 GLU A 69 4.162 25.947 4.330 1.00 41.00 O ATOM 638 H GLU A 69 8.124 22.405 5.611 1.00 0.00 H ATOM 639 N GLN A 70 8.250 20.147 3.146 1.00 18.28 N ATOM 640 CA GLN A 70 8.548 18.997 2.295 1.00 17.59 C ATOM 641 C GLN A 70 8.094 17.704 2.908 1.00 19.33 C ATOM 642 O GLN A 70 7.800 16.725 2.201 1.00 22.29 O ATOM 643 CB GLN A 70 10.019 18.885 2.029 1.00 21.54 C ATOM 644 CG GLN A 70 10.542 19.886 1.071 1.00 25.68 C ATOM 645 CD GLN A 70 11.319 20.927 1.771 1.00 26.49 C ATOM 646 OE1 GLN A 70 11.172 21.102 2.987 1.00 23.98 O ATOM 647 NE2 GLN A 70 12.195 21.616 1.037 1.00 28.83 N ATOM 648 HE22 GLN A 70 12.279 21.430 0.017 1.00 0.00 H ATOM 649 HE21 GLN A 70 12.794 22.339 1.485 1.00 0.00 H ATOM 650 H GLN A 70 8.975 20.521 3.792 1.00 0.00 H ATOM 651 N LEU A 71 8.102 17.659 4.211 1.00 18.40 N ATOM 652 CA LEU A 71 7.625 16.505 4.941 1.00 17.86 C ATOM 653 C LEU A 71 6.286 16.960 5.517 1.00 16.96 C ATOM 654 O LEU A 71 6.264 17.782 6.407 1.00 17.31 O ATOM 655 CB LEU A 71 8.570 16.179 6.059 1.00 21.26 C ATOM 656 CG LEU A 71 8.321 14.917 6.890 1.00 23.99 C ATOM 657 CD1 LEU A 71 8.438 13.702 6.048 1.00 26.17 C ATOM 658 CD2 LEU A 71 9.324 14.869 8.045 1.00 23.30 C ATOM 659 H LEU A 71 8.462 18.478 4.742 1.00 0.00 H ATOM 660 N SER A 72 5.176 16.408 5.032 1.00 16.63 N ATOM 661 CA SER A 72 3.817 16.862 5.364 1.00 16.06 C ATOM 662 C SER A 72 2.870 15.668 5.295 1.00 13.80 C ATOM 663 O SER A 72 3.173 14.653 4.626 1.00 14.50 O ATOM 664 CB SER A 72 3.283 17.936 4.387 1.00 19.34 C ATOM 665 OG SER A 72 4.169 19.028 4.150 1.00 21.77 O ATOM 666 HG SER A 72 3.748 19.662 3.517 1.00 0.00 H ATOM 667 H SER A 72 5.276 15.606 4.378 1.00 0.00 H ATOM 668 N SER A 73 1.660 15.841 5.811 1.00 15.49 N ATOM 669 CA SER A 73 0.650 14.789 5.762 1.00 14.19 C ATOM 670 C SER A 73 0.380 14.300 4.332 1.00 13.03 C ATOM 671 O SER A 73 0.092 15.081 3.424 1.00 16.11 O ATOM 672 CB SER A 73 -0.659 15.244 6.418 1.00 18.19 C ATOM 673 OG SER A 73 -0.471 15.518 7.797 1.00 22.33 O ATOM 674 HG SER A 73 -1.330 15.809 8.195 1.00 0.00 H ATOM 675 H SER A 73 1.426 16.749 6.261 1.00 0.00 H ATOM 676 N ASN A 74 0.480 12.987 4.179 1.00 11.73 N ATOM 677 CA ASN A 74 0.264 12.251 2.951 1.00 12.25 C ATOM 678 C ASN A 74 1.543 11.917 2.245 1.00 10.00 C ATOM 679 O ASN A 74 1.535 11.058 1.364 1.00 12.19 O ATOM 680 CB ASN A 74 -0.698 12.868 1.953 1.00 13.15 C ATOM 681 CG ASN A 74 -2.066 12.931 2.463 1.00 19.03 C ATOM 682 OD1 ASN A 74 -2.507 12.071 3.222 1.00 21.97 O ATOM 683 ND2 ASN A 74 -2.760 14.001 2.076 1.00 20.39 N ATOM 684 HD22 ASN A 74 -2.330 14.694 1.431 1.00 0.00 H ATOM 685 HD21 ASN A 74 -3.731 14.143 2.419 1.00 0.00 H ATOM 686 H ASN A 74 0.738 12.433 5.021 1.00 0.00 H ATOM 687 N CYS A 75 2.664 12.527 2.576 1.00 11.03 N ATOM 688 CA CYS A 75 3.879 12.213 1.829 1.00 10.93 C ATOM 689 C CYS A 75 4.341 10.779 2.166 1.00 10.91 C ATOM 690 O CYS A 75 4.019 10.225 3.226 1.00 11.04 O ATOM 691 CB CYS A 75 4.972 13.238 2.070 1.00 13.45 C ATOM 692 SG CYS A 75 5.922 13.047 3.601 1.00 13.98 S ATOM 693 H CYS A 75 2.683 13.218 3.353 1.00 0.00 H ATOM 694 N VAL A 76 5.098 10.201 1.232 1.00 11.07 N ATOM 695 CA VAL A 76 5.672 8.878 1.393 1.00 9.79 C ATOM 696 C VAL A 76 7.180 9.013 1.523 1.00 11.18 C ATOM 697 O VAL A 76 7.837 9.691 0.700 1.00 12.48 O ATOM 698 CB VAL A 76 5.274 7.965 0.220 1.00 10.75 C ATOM 699 CG1 VAL A 76 6.019 6.697 0.248 1.00 12.04 C ATOM 700 CG2 VAL A 76 3.782 7.716 0.257 1.00 12.59 C ATOM 701 H VAL A 76 5.285 10.721 0.351 1.00 0.00 H ATOM 702 N CYS A 77 7.734 8.406 2.555 1.00 10.57 N ATOM 703 CA CYS A 77 9.166 8.513 2.779 1.00 10.73 C ATOM 704 C CYS A 77 9.828 7.214 3.121 1.00 11.23 C ATOM 705 O CYS A 77 9.203 6.266 3.581 1.00 12.89 O ATOM 706 CB CYS A 77 9.418 9.537 3.860 1.00 11.94 C ATOM 707 SG CYS A 77 8.582 9.208 5.406 1.00 14.18 S ATOM 708 H CYS A 77 7.146 7.851 3.209 1.00 0.00 H ATOM 709 N GLN A 78 11.091 7.176 2.798 1.00 11.65 N ATOM 710 CA GLN A 78 11.910 6.008 3.216 1.00 10.92 C ATOM 711 C GLN A 78 12.716 6.383 4.403 1.00 10.50 C ATOM 712 O GLN A 78 13.396 7.440 4.354 1.00 12.37 O ATOM 713 CB GLN A 78 12.823 5.561 2.048 1.00 11.98 C ATOM 714 CG GLN A 78 13.593 4.290 2.417 1.00 12.60 C ATOM 715 CD GLN A 78 14.119 3.582 1.241 1.00 14.73 C ATOM 716 OE1 GLN A 78 14.404 4.194 0.171 1.00 19.35 O ATOM 717 NE2 GLN A 78 14.312 2.290 1.401 1.00 17.46 N ATOM 718 HE22 GLN A 78 14.061 1.834 2.301 1.00 0.00 H ATOM 719 HE21 GLN A 78 14.716 1.725 0.627 1.00 0.00 H ATOM 720 H GLN A 78 11.520 7.953 2.255 1.00 0.00 H ATOM 721 N ILE A 79 12.664 5.569 5.445 1.00 9.60 N ATOM 722 CA ILE A 79 13.462 5.729 6.645 1.00 11.42 C ATOM 723 C ILE A 79 14.802 4.977 6.487 1.00 12.07 C ATOM 724 O ILE A 79 14.815 3.842 6.432 1.00 17.12 O ATOM 725 CB ILE A 79 12.715 5.188 7.880 1.00 12.03 C ATOM 726 CG1 ILE A 79 11.264 5.694 7.989 1.00 17.17 C ATOM 727 CG2 ILE A 79 13.479 5.529 9.134 1.00 17.49 C ATOM 728 CD1 ILE A 79 11.103 7.160 7.928 1.00 19.27 C ATOM 729 H ILE A 79 12.009 4.763 5.400 1.00 0.00 H ATOM 730 N HIS A 80 15.839 5.777 6.487 1.00 11.62 N ATOM 731 CA HIS A 80 17.187 5.290 6.320 1.00 12.64 C ATOM 732 C HIS A 80 17.953 4.928 7.570 1.00 16.66 C ATOM 733 O HIS A 80 18.797 4.166 7.595 1.00 19.47 O ATOM 734 CB HIS A 80 17.961 6.307 5.496 1.00 14.70 C ATOM 735 CG HIS A 80 17.642 6.214 4.061 1.00 16.48 C ATOM 736 ND1 HIS A 80 16.699 6.975 3.420 1.00 21.80 N ATOM 737 CD2 HIS A 80 18.092 5.345 3.163 1.00 19.51 C ATOM 738 CE1 HIS A 80 16.630 6.601 2.167 1.00 21.56 C ATOM 739 NE2 HIS A 80 17.451 5.609 1.997 1.00 24.29 N ATOM 740 H HIS A 80 15.686 6.798 6.612 1.00 0.00 H ATOM 741 N ARG A 81 17.591 5.579 8.590 1.00 13.55 N ATOM 742 CA ARG A 81 18.095 5.457 10.001 1.00 13.67 C ATOM 743 C ARG A 81 17.113 5.860 11.095 1.00 12.31 C ATOM 744 O ARG A 81 16.575 6.930 11.060 1.00 13.11 O ATOM 745 CB ARG A 81 19.382 6.266 10.224 1.00 15.55 C ATOM 746 CG ARG A 81 20.195 5.822 11.420 1.00 19.61 C ATOM 747 CD ARG A 81 21.638 6.283 11.413 1.00 25.19 C ATOM 748 NE ARG A 81 21.771 7.700 11.512 1.00 28.46 N ATOM 749 CZ ARG A 81 21.901 8.351 12.645 1.00 32.91 C ATOM 750 NH1 ARG A 81 21.897 7.698 13.778 1.00 35.78 N ATOM 751 NH2 ARG A 81 22.017 9.648 12.622 1.00 34.95 N ATOM 752 HE ARG A 81 21.765 8.252 10.631 1.00 0.00 H ATOM 753 HH12 ARG A 81 22.000 8.213 14.676 1.00 0.00 H ATOM 754 HH11 ARG A 81 21.791 6.663 13.782 1.00 0.00 H ATOM 755 HH22 ARG A 81 22.121 10.177 13.512 1.00 0.00 H ATOM 756 HH21 ARG A 81 22.006 10.155 11.714 1.00 0.00 H ATOM 757 H ARG A 81 16.849 6.291 8.434 1.00 0.00 H ATOM 758 N PHE A 82 16.903 4.984 12.068 1.00 13.33 N ATOM 759 CA PHE A 82 16.043 5.282 13.184 1.00 12.47 C ATOM 760 C PHE A 82 16.557 4.598 14.419 1.00 14.81 C ATOM 761 O PHE A 82 17.349 3.635 14.318 1.00 15.83 O ATOM 762 CB PHE A 82 14.592 4.909 12.887 1.00 13.40 C ATOM 763 CG PHE A 82 14.364 3.420 12.739 1.00 14.52 C ATOM 764 CD1 PHE A 82 14.522 2.844 11.484 1.00 14.47 C ATOM 765 CD2 PHE A 82 13.963 2.614 13.802 1.00 15.89 C ATOM 766 CE1 PHE A 82 14.324 1.498 11.287 1.00 16.76 C ATOM 767 CE2 PHE A 82 13.786 1.220 13.598 1.00 18.27 C ATOM 768 CZ PHE A 82 13.931 0.696 12.305 1.00 17.86 C ATOM 769 H PHE A 82 17.372 4.057 12.024 1.00 0.00 H ATOM 770 N ILE A 83 16.146 5.114 15.572 1.00 14.87 N ATOM 771 CA ILE A 83 16.519 4.565 16.890 1.00 16.43 C ATOM 772 C ILE A 83 15.232 4.308 17.644 1.00 16.52 C ATOM 773 O ILE A 83 14.279 5.028 17.473 1.00 20.24 O ATOM 774 CB ILE A 83 17.377 5.560 17.713 1.00 20.16 C ATOM 775 CG1 ILE A 83 18.721 5.783 16.999 1.00 24.23 C ATOM 776 CG2 ILE A 83 17.585 5.051 19.161 1.00 22.69 C ATOM 777 CD1 ILE A 83 19.596 6.852 17.613 1.00 26.97 C ATOM 778 H ILE A 83 15.528 5.950 15.544 1.00 0.00 H ATOM 779 N VAL A 84 15.200 3.317 18.501 1.00 16.96 N ATOM 780 CA VAL A 84 14.044 3.037 19.334 1.00 17.80 C ATOM 781 C VAL A 84 14.465 3.352 20.767 1.00 15.39 C ATOM 782 O VAL A 84 15.583 2.985 21.186 1.00 19.07 O ATOM 783 CB VAL A 84 13.572 1.591 19.237 1.00 19.42 C ATOM 784 CG1 VAL A 84 12.507 1.346 20.254 1.00 22.21 C ATOM 785 CG2 VAL A 84 13.017 1.301 17.839 1.00 22.44 C ATOM 786 H VAL A 84 16.037 2.706 18.588 1.00 0.00 H ATOM 787 N ASN A 85 13.634 4.083 21.486 1.00 15.22 N ATOM 788 CA ASN A 85 13.900 4.344 22.888 1.00 14.91 C ATOM 789 C ASN A 85 12.665 3.964 23.643 1.00 14.62 C ATOM 790 O ASN A 85 11.556 3.959 23.141 1.00 21.27 O ATOM 791 CB ASN A 85 14.275 5.796 23.166 1.00 19.29 C ATOM 792 CG ASN A 85 15.099 5.919 24.424 1.00 28.02 C ATOM 793 OD1 ASN A 85 16.192 5.344 24.510 1.00 31.25 O ATOM 794 ND2 ASN A 85 14.582 6.614 25.400 1.00 29.30 N ATOM 795 HD22 ASN A 85 13.660 7.078 25.276 1.00 0.00 H ATOM 796 HD21 ASN A 85 15.092 6.704 26.302 1.00 0.00 H ATOM 797 H ASN A 85 12.779 4.476 21.043 1.00 0.00 H ATOM 798 N THR A 86 12.815 3.552 24.878 1.00 12.78 N ATOM 799 CA THR A 86 11.716 3.094 25.711 1.00 11.86 C ATOM 800 C THR A 86 11.575 4.009 26.913 1.00 12.08 C ATOM 801 O THR A 86 12.557 4.266 27.626 1.00 14.01 O ATOM 802 CB THR A 86 11.987 1.649 26.135 1.00 12.91 C ATOM 803 OG1 THR A 86 12.119 0.802 24.969 1.00 12.85 O ATOM 804 CG2 THR A 86 10.858 1.128 26.963 1.00 14.62 C ATOM 805 HG1 THR A 86 12.294 -0.129 25.257 1.00 0.00 H ATOM 806 H THR A 86 13.773 3.553 25.284 1.00 0.00 H ATOM 807 N LEU A 87 10.367 4.479 27.120 1.00 13.57 N ATOM 808 CA LEU A 87 10.056 5.365 28.244 1.00 14.04 C ATOM 809 C LEU A 87 9.910 4.603 29.535 1.00 14.27 C ATOM 810 O LEU A 87 9.730 3.373 29.555 1.00 13.89 O ATOM 811 CB LEU A 87 8.750 6.102 27.982 1.00 17.52 C ATOM 812 CG LEU A 87 8.647 6.839 26.669 1.00 19.40 C ATOM 813 CD1 LEU A 87 7.356 7.606 26.612 1.00 21.20 C ATOM 814 CD2 LEU A 87 9.821 7.743 26.455 1.00 22.48 C ATOM 815 H LEU A 87 9.605 4.213 26.464 1.00 0.00 H ATOM 816 N LYS A 88 9.993 5.297 30.659 1.00 15.90 N ATOM 817 CA LYS A 88 9.872 4.671 31.961 1.00 17.68 C ATOM 818 C LYS A 88 8.549 3.904 32.072 1.00 18.08 C ATOM 819 O LYS A 88 8.446 2.882 32.733 1.00 19.01 O ATOM 820 CB LYS A 88 9.886 5.754 33.075 1.00 25.35 C ATOM 821 CG LYS A 88 11.188 6.356 33.367 1.00 31.53 C ATOM 822 CD LYS A 88 11.030 7.575 34.293 1.00 37.04 C ATOM 823 CE LYS A 88 12.224 8.518 34.076 1.00 43.66 C ATOM 824 NZ LYS A 88 12.477 9.538 35.159 1.00 46.03 N ATOM 825 HZ1 LYS A 88 11.643 10.151 35.258 1.00 0.00 H ATOM 826 HZ2 LYS A 88 12.658 9.049 36.059 1.00 0.00 H ATOM 827 HZ3 LYS A 88 13.304 10.115 34.904 1.00 0.00 H ATOM 828 H LYS A 88 10.150 6.324 30.606 1.00 0.00 H ATOM 829 N ASP A 89 7.508 4.355 31.383 1.00 18.41 N ATOM 830 CA ASP A 89 6.204 3.751 31.497 1.00 19.16 C ATOM 831 C ASP A 89 6.033 2.533 30.591 1.00 16.21 C ATOM 832 O ASP A 89 4.985 1.896 30.638 1.00 18.30 O ATOM 833 CB ASP A 89 5.069 4.789 31.261 1.00 21.87 C ATOM 834 CG ASP A 89 5.023 5.340 29.847 1.00 25.07 C ATOM 835 OD1 ASP A 89 5.502 4.789 28.884 1.00 25.28 O ATOM 836 OD2 ASP A 89 4.385 6.410 29.664 1.00 31.11 O ATOM 837 H ASP A 89 7.636 5.165 30.744 1.00 0.00 H ATOM 838 N GLY A 90 7.052 2.233 29.763 1.00 14.67 N ATOM 839 CA GLY A 90 7.039 1.088 28.869 1.00 15.04 C ATOM 840 C GLY A 90 6.740 1.365 27.418 1.00 15.64 C ATOM 841 O GLY A 90 6.969 0.490 26.628 1.00 16.81 O ATOM 842 H GLY A 90 7.889 2.851 29.764 1.00 0.00 H ATOM 843 N ARG A 91 6.282 2.564 27.079 1.00 16.26 N ATOM 844 CA ARG A 91 6.029 2.905 25.685 1.00 17.96 C ATOM 845 C ARG A 91 7.337 3.086 24.915 1.00 16.10 C ATOM 846 O ARG A 91 8.297 3.661 25.428 1.00 17.49 O ATOM 847 CB ARG A 91 5.193 4.183 25.595 1.00 23.59 C ATOM 848 CG ARG A 91 3.699 3.957 25.756 1.00 27.91 C ATOM 849 CD ARG A 91 2.922 5.257 25.623 1.00 30.48 C ATOM 850 NE ARG A 91 3.368 6.264 26.581 1.00 32.87 N ATOM 851 CZ ARG A 91 2.857 7.487 26.671 1.00 35.82 C ATOM 852 NH1 ARG A 91 3.324 8.339 27.574 1.00 35.35 N ATOM 853 NH2 ARG A 91 1.878 7.861 25.858 1.00 39.09 N ATOM 854 HE ARG A 91 4.135 6.008 27.235 1.00 0.00 H ATOM 855 HH12 ARG A 91 2.922 9.296 27.643 1.00 0.00 H ATOM 856 HH11 ARG A 91 4.092 8.050 28.213 1.00 0.00 H ATOM 857 HH22 ARG A 91 1.479 8.819 25.930 1.00 0.00 H ATOM 858 HH21 ARG A 91 1.509 7.196 25.148 1.00 0.00 H ATOM 859 H ARG A 91 6.101 3.271 27.820 1.00 0.00 H ATOM 860 N ARG A 92 7.362 2.597 23.678 1.00 18.94 N ATOM 861 CA ARG A 92 8.491 2.771 22.805 1.00 17.21 C ATOM 862 C ARG A 92 8.260 3.954 21.888 1.00 16.84 C ATOM 863 O ARG A 92 7.192 4.163 21.438 1.00 20.73 O ATOM 864 CB ARG A 92 8.748 1.518 21.992 1.00 21.87 C ATOM 865 CG ARG A 92 9.876 0.609 22.486 1.00 26.16 C ATOM 866 CD ARG A 92 9.448 -0.600 23.170 1.00 25.84 C ATOM 867 NE ARG A 92 10.502 -1.322 23.862 1.00 19.80 N ATOM 868 CZ ARG A 92 10.742 -2.590 23.668 1.00 18.71 C ATOM 869 NH1 ARG A 92 10.061 -3.265 22.808 1.00 20.09 N ATOM 870 NH2 ARG A 92 11.633 -3.203 24.364 1.00 16.79 N ATOM 871 HE ARG A 92 11.093 -0.804 24.544 1.00 0.00 H ATOM 872 HH12 ARG A 92 10.262 -4.275 22.663 1.00 0.00 H ATOM 873 HH11 ARG A 92 9.310 -2.800 22.259 1.00 0.00 H ATOM 874 HH22 ARG A 92 11.816 -4.214 24.201 1.00 0.00 H ATOM 875 HH21 ARG A 92 12.171 -2.688 25.090 1.00 0.00 H ATOM 876 H ARG A 92 6.536 2.070 23.330 1.00 0.00 H ATOM 877 N VAL A 93 9.328 4.717 21.692 1.00 14.57 N ATOM 878 CA VAL A 93 9.327 5.859 20.805 1.00 15.14 C ATOM 879 C VAL A 93 10.339 5.595 19.704 1.00 14.59 C ATOM 880 O VAL A 93 11.466 5.172 19.959 1.00 17.37 O ATOM 881 CB VAL A 93 9.706 7.154 21.545 1.00 20.66 C ATOM 882 CG1 VAL A 93 9.918 8.288 20.555 1.00 25.05 C ATOM 883 CG2 VAL A 93 8.634 7.517 22.561 1.00 22.51 C ATOM 884 H VAL A 93 10.205 4.483 22.199 1.00 0.00 H ATOM 885 N VAL A 94 9.917 5.849 18.476 1.00 13.30 N ATOM 886 CA VAL A 94 10.747 5.642 17.301 1.00 12.46 C ATOM 887 C VAL A 94 11.243 6.989 16.802 1.00 12.33 C ATOM 888 O VAL A 94 10.463 7.810 16.320 1.00 14.55 O ATOM 889 CB VAL A 94 9.967 4.941 16.174 1.00 13.32 C ATOM 890 CG1 VAL A 94 10.876 4.677 14.984 1.00 16.18 C ATOM 891 CG2 VAL A 94 9.350 3.647 16.681 1.00 17.05 C ATOM 892 H VAL A 94 8.951 6.212 18.346 1.00 0.00 H ATOM 893 N ILE A 95 12.528 7.207 16.923 1.00 12.55 N ATOM 894 CA ILE A 95 13.133 8.457 16.539 1.00 13.93 C ATOM 895 C ILE A 95 13.720 8.372 15.149 1.00 12.77 C ATOM 896 O ILE A 95 14.603 7.596 14.896 1.00 13.03 O ATOM 897 CB ILE A 95 14.195 8.932 17.546 1.00 15.24 C ATOM 898 CG1 ILE A 95 13.619 9.020 18.955 1.00 19.20 C ATOM 899 CG2 ILE A 95 14.703 10.305 17.161 1.00 18.58 C ATOM 900 CD1 ILE A 95 13.917 7.860 19.772 1.00 27.10 C ATOM 901 H ILE A 95 13.132 6.453 17.309 1.00 0.00 H ATOM 902 N LEU A 96 13.163 9.181 14.244 1.00 12.33 N ATOM 903 CA LEU A 96 13.598 9.169 12.846 1.00 12.76 C ATOM 904 C LEU A 96 14.810 10.064 12.685 1.00 12.87 C ATOM 905 O LEU A 96 14.716 11.274 12.884 1.00 15.10 O ATOM 906 CB LEU A 96 12.441 9.588 11.988 1.00 13.13 C ATOM 907 CG LEU A 96 11.144 8.822 12.136 1.00 13.09 C ATOM 908 CD1 LEU A 96 10.035 9.468 11.292 1.00 16.54 C ATOM 909 CD2 LEU A 96 11.329 7.361 11.767 1.00 14.63 C ATOM 910 H LEU A 96 12.406 9.831 14.538 1.00 0.00 H ATOM 911 N MET A 97 15.943 9.483 12.312 1.00 12.22 N ATOM 912 CA MET A 97 17.199 10.205 12.210 1.00 13.29 C ATOM 913 C MET A 97 17.558 10.556 10.801 1.00 14.38 C ATOM 914 O MET A 97 18.151 11.523 10.557 1.00 15.66 O ATOM 915 CB MET A 97 18.321 9.334 12.744 1.00 15.68 C ATOM 916 CG MET A 97 18.133 8.871 14.175 1.00 16.82 C ATOM 917 SD MET A 97 17.897 10.164 15.397 1.00 21.99 S ATOM 918 CE MET A 97 19.347 11.171 15.167 1.00 27.23 C ATOM 919 H MET A 97 15.931 8.469 12.083 1.00 0.00 H ATOM 920 N GLU A 98 17.244 9.784 9.833 1.00 12.91 N ATOM 921 CA GLU A 98 17.510 10.084 8.438 1.00 13.52 C ATOM 922 C GLU A 98 16.335 9.557 7.682 1.00 12.35 C ATOM 923 O GLU A 98 15.911 8.386 7.885 1.00 13.04 O ATOM 924 CB GLU A 98 18.794 9.407 7.922 1.00 16.35 C ATOM 925 CG GLU A 98 20.048 9.916 8.569 1.00 20.32 C ATOM 926 CD GLU A 98 21.303 9.554 7.807 1.00 25.75 C ATOM 927 OE1 GLU A 98 21.253 8.597 7.005 1.00 29.14 O ATOM 928 OE2 GLU A 98 22.327 10.233 8.007 1.00 29.15 O ATOM 929 H GLU A 98 16.769 8.886 10.058 1.00 0.00 H ATOM 930 N LEU A 99 15.798 10.361 6.813 1.00 16.25 N ATOM 931 CA LEU A 99 14.805 9.874 5.886 1.00 17.97 C ATOM 932 C LEU A 99 14.815 10.663 4.648 1.00 16.85 C ATOM 933 O LEU A 99 15.387 11.785 4.557 1.00 21.89 O ATOM 934 CB LEU A 99 13.465 9.968 6.484 1.00 18.61 C ATOM 935 CG LEU A 99 12.918 11.358 6.830 1.00 17.88 C ATOM 936 CD1 LEU A 99 12.336 12.131 5.625 1.00 19.48 C ATOM 937 CD2 LEU A 99 11.833 11.272 7.899 1.00 24.65 C ATOM 938 H LEU A 99 16.085 11.360 6.786 1.00 0.00 H ATOM 939 N GLU A 100 14.243 10.004 3.654 1.00 14.25 N ATOM 940 CA GLU A 100 13.960 10.556 2.359 1.00 13.24 C ATOM 941 C GLU A 100 12.475 10.717 2.119 1.00 10.42 C ATOM 942 O GLU A 100 11.688 9.860 2.518 1.00 12.57 O ATOM 943 CB GLU A 100 14.428 9.569 1.368 1.00 16.38 C ATOM 944 CG GLU A 100 14.494 10.085 -0.016 1.00 20.64 C ATOM 945 CD GLU A 100 15.172 9.082 -0.915 1.00 23.80 C ATOM 946 OE1 GLU A 100 15.109 9.293 -2.121 1.00 22.92 O ATOM 947 OE2 GLU A 100 15.765 8.087 -0.407 1.00 26.49 O ATOM 948 H GLU A 100 13.979 9.012 3.823 1.00 0.00 H ATOM 949 N VAL A 101 12.097 11.800 1.424 1.00 11.41 N ATOM 950 CA VAL A 101 10.776 11.889 0.890 1.00 12.52 C ATOM 951 C VAL A 101 10.808 11.354 -0.508 1.00 14.72 C ATOM 952 O VAL A 101 11.393 11.979 -1.343 1.00 18.54 O ATOM 953 CB VAL A 101 10.296 13.355 0.939 1.00 16.40 C ATOM 954 CG1 VAL A 101 8.879 13.477 0.400 1.00 19.50 C ATOM 955 CG2 VAL A 101 10.365 13.888 2.360 1.00 17.09 C ATOM 956 H VAL A 101 12.770 12.579 1.273 1.00 0.00 H ATOM 957 N LEU A 102 10.052 10.357 -0.822 1.00 12.91 N ATOM 958 CA LEU A 102 10.094 9.696 -2.084 1.00 13.29 C ATOM 959 C LEU A 102 8.990 10.305 -2.920 1.00 14.38 C ATOM 960 O LEU A 102 9.136 10.451 -4.143 1.00 17.70 O ATOM 961 CB LEU A 102 9.823 8.214 -1.942 1.00 13.66 C ATOM 962 CG LEU A 102 10.842 7.404 -1.188 1.00 13.71 C ATOM 963 CD1 LEU A 102 10.396 5.941 -1.232 1.00 15.36 C ATOM 964 CD2 LEU A 102 12.210 7.609 -1.813 1.00 15.64 C ATOM 965 H LEU A 102 9.372 10.016 -0.113 1.00 0.00 H ATOM 966 N LYS A 103 7.850 10.630 -2.317 1.00 12.69 N ATOM 967 CA LYS A 103 6.763 11.298 -3.038 1.00 13.31 C ATOM 968 C LYS A 103 6.198 12.363 -2.125 1.00 12.43 C ATOM 969 O LYS A 103 5.853 12.080 -0.975 1.00 13.55 O ATOM 970 CB LYS A 103 5.665 10.318 -3.414 1.00 17.14 C ATOM 971 CG LYS A 103 6.077 9.218 -4.362 1.00 23.24 C ATOM 972 CD LYS A 103 4.862 8.496 -4.995 1.00 28.53 C ATOM 973 CE LYS A 103 3.961 9.423 -5.827 1.00 33.71 C ATOM 974 NZ LYS A 103 4.631 9.949 -7.051 1.00 33.88 N ATOM 975 HZ1 LYS A 103 5.474 10.492 -6.777 1.00 0.00 H ATOM 976 HZ2 LYS A 103 4.912 9.154 -7.660 1.00 0.00 H ATOM 977 HZ3 LYS A 103 3.972 10.566 -7.567 1.00 0.00 H ATOM 978 H LYS A 103 7.727 10.405 -1.309 1.00 0.00 H ATOM 979 N SER A 104 6.045 13.572 -2.644 1.00 14.94 N ATOM 980 CA SER A 104 5.482 14.668 -1.858 1.00 14.69 C ATOM 981 C SER A 104 4.029 14.412 -1.499 1.00 14.40 C ATOM 982 O SER A 104 3.314 13.656 -2.149 1.00 13.61 O ATOM 983 CB SER A 104 5.564 15.974 -2.624 1.00 15.83 C ATOM 984 OG SER A 104 4.587 15.930 -3.634 1.00 19.27 O ATOM 985 HG SER A 104 4.614 16.772 -4.155 1.00 0.00 H ATOM 986 H SER A 104 6.331 13.745 -3.629 1.00 0.00 H ATOM 987 N ALA A 105 3.561 15.097 -0.465 1.00 14.62 N ATOM 988 CA ALA A 105 2.173 15.022 -0.099 1.00 14.48 C ATOM 989 C ALA A 105 1.274 15.321 -1.280 1.00 15.67 C ATOM 990 O ALA A 105 0.236 14.720 -1.456 1.00 16.43 O ATOM 991 CB ALA A 105 1.854 15.984 0.996 1.00 15.75 C ATOM 992 H ALA A 105 4.206 15.696 0.088 1.00 0.00 H ATOM 993 N GLU A 106 1.664 16.357 -2.007 1.00 15.84 N ATOM 994 CA GLU A 106 0.866 16.822 -3.143 1.00 17.09 C ATOM 995 C GLU A 106 0.792 15.791 -4.292 1.00 15.54 C ATOM 996 O GLU A 106 -0.175 15.747 -5.060 1.00 18.97 O ATOM 997 CB GLU A 106 1.377 18.192 -3.667 1.00 18.61 C ATOM 998 CG GLU A 106 1.307 19.401 -2.623 1.00 18.32 C ATOM 999 CD GLU A 106 2.323 19.309 -1.476 1.00 20.76 C ATOM 1000 OE1 GLU A 106 3.384 18.689 -1.691 1.00 22.41 O ATOM 1001 OE2 GLU A 106 2.040 19.841 -0.355 1.00 22.21 O ATOM 1002 H GLU A 106 2.549 16.847 -1.768 1.00 0.00 H ATOM 1003 N ALA A 107 1.812 14.957 -4.434 1.00 15.36 N ATOM 1004 CA ALA A 107 1.852 13.895 -5.442 1.00 15.57 C ATOM 1005 C ALA A 107 1.145 12.627 -5.063 1.00 17.80 C ATOM 1006 O ALA A 107 0.811 11.831 -5.918 1.00 22.86 O ATOM 1007 CB ALA A 107 3.318 13.571 -5.779 1.00 18.41 C ATOM 1008 H ALA A 107 2.627 15.062 -3.796 1.00 0.00 H ATOM 1009 N VAL A 108 0.889 12.435 -3.770 1.00 14.80 N ATOM 1010 CA VAL A 108 0.186 11.274 -3.261 1.00 14.07 C ATOM 1011 C VAL A 108 -1.278 11.619 -3.012 1.00 16.97 C ATOM 1012 O VAL A 108 -2.164 10.971 -3.553 1.00 20.46 O ATOM 1013 CB VAL A 108 0.822 10.760 -1.943 1.00 14.22 C ATOM 1014 CG1 VAL A 108 0.124 9.576 -1.482 1.00 15.34 C ATOM 1015 CG2 VAL A 108 2.291 10.410 -2.149 1.00 16.07 C ATOM 1016 H VAL A 108 1.210 13.155 -3.091 1.00 0.00 H ATOM 1017 N GLY A 109 -1.533 12.589 -2.159 1.00 16.32 N ATOM 1018 CA GLY A 109 -2.843 13.223 -2.104 1.00 18.37 C ATOM 1019 C GLY A 109 -3.864 12.672 -1.191 1.00 15.08 C ATOM 1020 O GLY A 109 -4.876 13.319 -0.894 1.00 14.56 O ATOM 1021 H GLY A 109 -0.784 12.909 -1.512 1.00 0.00 H ATOM 1022 N VAL A 110 -3.630 11.465 -0.701 1.00 13.81 N ATOM 1023 CA VAL A 110 -4.590 10.764 0.136 1.00 14.38 C ATOM 1024 C VAL A 110 -3.871 9.806 1.060 1.00 13.16 C ATOM 1025 O VAL A 110 -2.753 9.374 0.756 1.00 13.78 O ATOM 1026 CB VAL A 110 -5.561 9.906 -0.766 1.00 18.50 C ATOM 1027 CG1 VAL A 110 -6.359 10.767 -1.730 1.00 19.41 C ATOM 1028 CG2 VAL A 110 -4.826 8.864 -1.565 1.00 22.35 C ATOM 1029 H VAL A 110 -2.726 11.001 -0.923 1.00 0.00 H ATOM 1030 N LYS A 111 -4.488 9.448 2.179 1.00 14.72 N ATOM 1031 CA LYS A 111 -4.064 8.286 2.978 1.00 13.45 C ATOM 1032 C LYS A 111 -4.218 7.020 2.130 1.00 14.85 C ATOM 1033 O LYS A 111 -5.278 6.743 1.580 1.00 18.17 O ATOM 1034 CB LYS A 111 -4.931 8.184 4.229 1.00 16.16 C ATOM 1035 CG LYS A 111 -4.696 6.920 5.024 1.00 18.74 C ATOM 1036 CD LYS A 111 -5.279 6.913 6.487 1.00 24.47 C ATOM 1037 CE LYS A 111 -6.732 6.678 6.509 1.00 29.73 C ATOM 1038 NZ LYS A 111 -7.176 6.338 7.918 1.00 31.97 N ATOM 1039 HZ1 LYS A 111 -6.683 5.480 8.238 1.00 0.00 H ATOM 1040 HZ2 LYS A 111 -6.945 7.129 8.553 1.00 0.00 H ATOM 1041 HZ3 LYS A 111 -8.203 6.173 7.926 1.00 0.00 H ATOM 1042 H LYS A 111 -5.301 10.009 2.504 1.00 0.00 H ATOM 1043 N ILE A 112 -3.156 6.247 2.040 1.00 12.95 N ATOM 1044 CA ILE A 112 -3.109 5.003 1.281 1.00 12.83 C ATOM 1045 C ILE A 112 -3.707 3.879 2.101 1.00 15.30 C ATOM 1046 O ILE A 112 -3.319 3.618 3.243 1.00 14.68 O ATOM 1047 CB ILE A 112 -1.677 4.716 0.924 1.00 13.88 C ATOM 1048 CG1 ILE A 112 -1.125 5.711 -0.098 1.00 14.70 C ATOM 1049 CG2 ILE A 112 -1.520 3.278 0.376 1.00 14.99 C ATOM 1050 CD1 ILE A 112 0.390 5.679 -0.266 1.00 16.22 C ATOM 1051 H ILE A 112 -2.295 6.543 2.543 1.00 0.00 H ATOM 1052 N GLY A 113 -4.703 3.229 1.520 1.00 17.54 N ATOM 1053 CA GLY A 113 -5.202 2.029 2.125 1.00 17.85 C ATOM 1054 C GLY A 113 -6.046 2.333 3.323 1.00 17.17 C ATOM 1055 O GLY A 113 -6.570 3.414 3.529 1.00 20.44 O ATOM 1056 H GLY A 113 -5.118 3.585 0.635 1.00 0.00 H ATOM 1057 N ASN A 114 -6.176 1.335 4.197 1.00 17.87 N ATOM 1058 CA ASN A 114 -6.975 1.488 5.405 1.00 18.83 C ATOM 1059 C ASN A 114 -6.238 0.866 6.581 1.00 16.68 C ATOM 1060 O ASN A 114 -6.691 -0.121 7.235 1.00 18.33 O ATOM 1061 CB ASN A 114 -8.359 0.848 5.246 1.00 23.30 C ATOM 1062 CG ASN A 114 -9.258 1.080 6.458 1.00 27.52 C ATOM 1063 OD1 ASN A 114 -9.183 2.112 7.130 1.00 28.68 O ATOM 1064 ND2 ASN A 114 -10.119 0.107 6.741 1.00 28.57 N ATOM 1065 HD22 ASN A 114 -10.151 -0.748 6.149 1.00 0.00 H ATOM 1066 HD21 ASN A 114 -10.761 0.201 7.554 1.00 0.00 H ATOM 1067 H ASN A 114 -5.698 0.430 4.013 1.00 0.00 H ATOM 1068 N PRO A 115 -5.096 1.423 6.927 1.00 14.89 N ATOM 1069 CA PRO A 115 -4.286 0.929 8.049 1.00 15.87 C ATOM 1070 C PRO A 115 -4.994 1.073 9.385 1.00 17.50 C ATOM 1071 O PRO A 115 -5.760 2.015 9.606 1.00 18.05 O ATOM 1072 CB PRO A 115 -3.011 1.771 7.990 1.00 13.59 C ATOM 1073 CG PRO A 115 -3.521 3.095 7.379 1.00 15.09 C ATOM 1074 CD PRO A 115 -4.524 2.654 6.322 1.00 15.51 C ATOM 1075 N VAL A 116 -4.711 0.162 10.307 1.00 17.38 N ATOM 1076 CA VAL A 116 -5.376 0.142 11.617 1.00 19.36 C ATOM 1077 C VAL A 116 -4.332 0.428 12.672 1.00 17.00 C ATOM 1078 O VAL A 116 -3.177 0.050 12.513 1.00 15.72 O ATOM 1079 CB VAL A 116 -6.096 -1.206 11.918 1.00 24.63 C ATOM 1080 CG1 VAL A 116 -7.213 -1.402 10.935 1.00 27.75 C ATOM 1081 CG2 VAL A 116 -5.157 -2.360 11.880 1.00 26.39 C ATOM 1082 H VAL A 116 -3.995 -0.562 10.096 1.00 0.00 H ATOM 1083 N PRO A 117 -4.726 1.012 13.781 1.00 17.72 N ATOM 1084 CA PRO A 117 -3.748 1.296 14.813 1.00 18.53 C ATOM 1085 C PRO A 117 -3.050 0.064 15.348 1.00 17.72 C ATOM 1086 O PRO A 117 -3.695 -0.946 15.692 1.00 19.51 O ATOM 1087 CB PRO A 117 -4.570 2.021 15.888 1.00 21.06 C ATOM 1088 CG PRO A 117 -5.702 2.604 15.125 1.00 23.08 C ATOM 1089 CD PRO A 117 -6.037 1.609 14.093 1.00 20.00 C ATOM 1090 N TYR A 118 -1.740 0.123 15.447 1.00 17.45 N ATOM 1091 CA TYR A 118 -0.929 -0.876 16.097 1.00 18.24 C ATOM 1092 C TYR A 118 -1.151 -0.796 17.618 1.00 22.55 C ATOM 1093 O TYR A 118 -1.321 0.265 18.173 1.00 26.00 O ATOM 1094 CB TYR A 118 0.563 -0.704 15.762 1.00 19.77 C ATOM 1095 CG TYR A 118 1.364 -1.913 16.189 1.00 20.29 C ATOM 1096 CD1 TYR A 118 1.402 -3.051 15.393 1.00 21.25 C ATOM 1097 CD2 TYR A 118 2.067 -1.912 17.371 1.00 24.54 C ATOM 1098 CE1 TYR A 118 2.108 -4.143 15.746 1.00 24.18 C ATOM 1099 CE2 TYR A 118 2.780 -3.024 17.754 1.00 25.38 C ATOM 1100 CZ TYR A 118 2.787 -4.136 16.931 1.00 27.31 C ATOM 1101 OH TYR A 118 3.482 -5.281 17.267 1.00 32.51 O ATOM 1102 HH TYR A 118 3.135 -5.637 18.123 1.00 0.00 H ATOM 1103 H TYR A 118 -1.258 0.944 15.029 1.00 0.00 H ATOM 1104 N ASN A 119 -1.226 -1.946 18.255 1.00 26.09 N ATOM 1105 CA ASN A 119 -1.528 -2.025 19.666 1.00 32.45 C ATOM 1106 C ASN A 119 -0.263 -2.537 20.281 1.00 37.33 C ATOM 1107 O ASN A 119 -0.014 -3.741 20.210 1.00 40.39 O ATOM 1108 CB ASN A 119 -2.631 -3.082 19.942 1.00 36.49 C ATOM 1109 CG ASN A 119 -3.973 -2.738 19.314 1.00 42.75 C ATOM 1110 OD1 ASN A 119 -4.478 -1.618 19.428 1.00 46.34 O ATOM 1111 ND2 ASN A 119 -4.572 -3.726 18.666 1.00 45.36 N ATOM 1112 HD22 ASN A 119 -4.111 -4.655 18.594 1.00 0.00 H ATOM 1113 HD21 ASN A 119 -5.503 -3.572 18.230 1.00 0.00 H ATOM 1114 H ASN A 119 -1.063 -2.826 17.725 1.00 0.00 H ATOM 1115 N GLU A 120 0.564 -1.653 20.832 1.00 39.91 N ATOM 1116 CA GLU A 120 1.699 -2.118 21.638 1.00 43.74 C ATOM 1117 C GLU A 120 2.715 -2.907 20.813 1.00 47.63 C ATOM 1118 O GLU A 120 3.807 -3.259 21.279 1.00 51.37 O ATOM 1119 CB GLU A 120 1.183 -3.004 22.781 1.00 44.58 C ATOM 1120 CG GLU A 120 1.963 -2.889 24.053 1.00 44.40 C ATOM 1121 CD GLU A 120 1.420 -3.776 25.149 1.00 41.09 C ATOM 1122 OE1 GLU A 120 0.763 -4.805 24.837 1.00 35.92 O ATOM 1123 OE2 GLU A 120 1.652 -3.422 26.325 1.00 42.67 O ATOM 1124 H GLU A 120 0.407 -0.635 20.692 1.00 0.00 H TER 1125 GLU A 120 HETATM 1126 O HOH 1 -1.451 4.752 4.732 1.00 13.87 O HETATM 1127 O HOH 2 2.837 -3.644 10.641 1.00 15.87 O HETATM 1128 O HOH 3 3.710 -3.589 0.087 1.00 16.33 O HETATM 1129 O HOH 4 11.483 17.163 15.848 1.00 16.80 O HETATM 1130 O HOH 5 18.128 2.405 11.328 1.00 20.21 O HETATM 1131 O HOH 6 -1.895 4.626 15.377 1.00 20.70 O HETATM 1132 O HOH 7 13.461 5.913 29.645 1.00 18.43 O HETATM 1133 O HOH 8 6.969 13.883 -5.352 1.00 21.32 O HETATM 1134 O HOH 9 15.106 27.194 2.187 1.00 25.06 O HETATM 1135 O HOH 10 19.111 15.901 15.495 1.00 25.35 O HETATM 1136 O HOH 11 -7.191 3.739 7.996 1.00 25.39 O HETATM 1137 O HOH 12 -1.562 14.133 -6.526 1.00 21.60 O HETATM 1138 O HOH 13 5.215 16.602 1.426 1.00 20.62 O HETATM 1139 O HOH 14 1.468 18.112 7.620 1.00 26.54 O HETATM 1140 O HOH 15 -0.172 17.183 9.825 1.00 33.45 O HETATM 1141 O HOH 16 13.182 23.799 1.074 1.00 26.95 O HETATM 1142 O HOH 17 -0.115 17.762 3.457 1.00 25.62 O HETATM 1143 O HOH 18 5.116 20.210 6.983 1.00 23.95 O HETATM 1144 O HOH 19 1.395 -1.621 -8.579 1.00 27.83 O HETATM 1145 O HOH 20 1.151 13.175 15.156 1.00 25.15 O HETATM 1146 O HOH 21 7.180 7.427 30.947 1.00 26.66 O HETATM 1147 O HOH 22 10.965 7.994 30.363 1.00 30.76 O HETATM 1148 O HOH 23 8.109 -2.496 20.932 1.00 28.73 O HETATM 1149 O HOH 24 11.970 -7.204 9.226 1.00 35.94 O HETATM 1150 O HOH 25 15.566 0.451 -0.561 1.00 35.36 O HETATM 1151 O HOH 26 0.253 -6.053 12.880 1.00 29.46 O HETATM 1152 O HOH 27 -5.124 6.948 10.317 1.00 31.30 O HETATM 1153 O HOH 28 10.677 -2.202 19.496 1.00 30.37 O HETATM 1154 O HOH 29 2.351 -0.423 -5.853 1.00 29.68 O HETATM 1155 O HOH 30 -4.467 -1.036 3.891 1.00 35.97 O HETATM 1156 O HOH 31 -1.226 2.860 17.543 1.00 27.69 O HETATM 1157 O HOH 32 -1.080 18.969 13.117 1.00 33.17 O HETATM 1158 O HOH 33 -3.440 12.025 6.175 1.00 31.12 O HETATM 1159 O HOH 34 7.133 22.133 19.477 1.00 32.96 O HETATM 1160 O HOH 35 15.482 23.743 12.442 1.00 33.60 O HETATM 1161 O HOH 36 3.035 1.471 28.643 1.00 37.18 O HETATM 1162 O HOH 37 13.142 13.523 -2.668 1.00 34.44 O HETATM 1163 O HOH 38 12.485 -5.843 23.889 1.00 32.59 O HETATM 1164 O HOH 39 1.129 10.899 16.472 1.00 27.81 O HETATM 1165 O HOH 40 13.413 23.872 14.329 1.00 30.70 O HETATM 1166 O HOH 41 1.408 11.641 -8.673 1.00 39.31 O HETATM 1167 O HOH 42 2.975 7.662 31.419 1.00 45.96 O HETATM 1168 O HOH 43 -7.502 10.223 2.167 1.00 34.72 O HETATM 1169 O HOH 44 -6.155 -1.262 16.735 1.00 32.84 O HETATM 1170 O HOH 45 4.467 3.883 21.924 1.00 30.96 O HETATM 1171 O HOH 46 -0.070 19.316 1.250 1.00 40.97 O HETATM 1172 O HOH 47 16.961 21.730 12.852 1.00 36.45 O HETATM 1173 O HOH 48 6.031 8.069 33.661 1.00 37.66 O HETATM 1174 O HOH 49 21.877 4.786 14.401 1.00 35.14 O HETATM 1175 O HOH 50 1.939 14.627 21.805 1.00 39.61 O HETATM 1176 O HOH 51 -5.740 10.989 6.583 1.00 36.90 O HETATM 1177 O HOH 52 7.244 26.958 8.724 1.00 40.73 O HETATM 1178 O HOH 53 4.388 -5.322 19.716 1.00 41.19 O HETATM 1179 O HOH 54 5.767 -1.116 24.755 1.00 37.87 O HETATM 1180 O HOH 55 15.725 7.246 28.484 1.00 35.31 O HETATM 1181 O HOH 56 -8.357 9.816 4.622 1.00 55.22 O HETATM 1182 O HOH 57 -4.627 12.064 11.374 1.00 44.86 O HETATM 1183 O HOH 58 14.050 26.275 15.751 1.00 49.09 O HETATM 1184 O HOH 59 13.829 11.134 -3.079 1.00 33.89 O HETATM 1185 O HOH 60 -6.358 11.142 3.879 1.00 36.71 O HETATM 1186 O HOH 61 -5.398 -2.598 8.033 1.00 35.23 O HETATM 1187 O HOH 62 5.291 19.115 -0.109 1.00 42.40 O HETATM 1188 O HOH 63 10.623 -6.088 22.204 1.00 39.12 O HETATM 1189 O HOH 64 8.406 16.905 -0.534 1.00 31.64 O HETATM 1190 O HOH 65 -3.098 19.049 22.055 1.00 48.36 O HETATM 1191 O HOH 66 -3.360 14.900 9.182 1.00 43.63 O HETATM 1192 O HOH 67 -5.844 9.546 11.112 1.00 42.14 O HETATM 1193 O HOH 68 0.585 13.640 -8.754 1.00 34.50 O HETATM 1194 O HOH 69 3.073 19.986 8.903 1.00 45.05 O HETATM 1195 O HOH 70 20.235 3.212 14.148 1.00 40.15 O HETATM 1196 O HOH 71 -0.203 6.104 -7.145 1.00 52.04 O HETATM 1197 O HOH 72 1.416 2.476 20.275 1.00 40.32 O HETATM 1198 O HOH 73 -1.038 19.471 23.932 1.00 50.38 O HETATM 1199 O HOH 74 22.528 12.562 9.252 1.00 41.36 O HETATM 1200 O HOH 75 1.637 22.478 -0.276 1.00 46.07 O HETATM 1201 O HOH 76 -3.626 6.279 16.508 1.00 34.14 O HETATM 1202 O HOH 77 -2.439 16.993 8.739 1.00 55.70 O HETATM 1203 O HOH 78 20.405 3.866 3.436 1.00 45.54 O HETATM 1204 O HOH 79 11.748 9.607 -5.415 1.00 49.60 O HETATM 1205 O HOH 80 7.141 27.307 4.784 1.00 44.92 O HETATM 1206 O HOH 81 12.931 7.959 37.253 1.00 25.03 O HETATM 1207 O HOH 82 1.967 18.838 23.455 1.00 38.68 O HETATM 1208 O HOH 83 9.105 9.516 30.224 1.00 45.94 O HETATM 1209 O HOH 84 -6.719 9.957 8.723 1.00 54.92 O HETATM 1210 O HOH 85 15.174 9.054 37.312 1.00 42.23 O HETATM 1211 O HOH 86 17.890 -5.239 13.741 1.00 39.66 O HETATM 1212 O HOH 87 11.509 8.839 39.245 1.00 42.93 O HETATM 1213 O HOH 88 5.723 -3.793 24.476 1.00 43.56 O HETATM 1214 O HOH 89 -2.705 17.031 15.022 1.00 50.18 O HETATM 1215 O HOH 90 -4.839 5.448 12.632 1.00 29.96 O HETATM 1216 O HOH 91 16.319 -7.047 8.853 1.00 44.64 O HETATM 1217 O HOH 92 -0.626 -4.849 17.504 1.00 47.27 O HETATM 1218 O HOH 93 -7.992 -2.378 6.649 1.00 38.68 O HETATM 1219 O HOH 94 -5.284 -3.119 5.216 1.00 53.02 O HETATM 1220 O HOH 95 -5.149 6.827 14.875 1.00 46.03 O HETATM 1221 O HOH 96 -0.060 9.582 23.376 1.00 49.72 O HETATM 1222 O HOH 97 16.619 -0.329 -3.083 1.00 39.31 O HETATM 1223 O HOH 98 0.906 17.989 20.368 1.00 38.85 O HETATM 1224 O HOH 99 22.190 11.734 11.402 1.00 48.62 O HETATM 1225 O HOH 100 -7.468 5.749 2.547 1.00 38.27 O HETATM 1226 O HOH 101 1.260 -6.524 11.250 1.00 39.33 O HETATM 1227 O HOH 102 3.254 20.217 1.966 1.00 38.84 O HETATM 1228 O HOH 103 5.338 11.887 28.375 1.00 54.90 O HETATM 1229 O HOH 104 -5.006 13.292 9.625 1.00 49.75 O HETATM 1230 O HOH 105 18.327 17.080 19.887 1.00 57.23 O HETATM 1231 O HOH 106 9.920 28.133 6.247 1.00 61.47 O HETATM 1232 O HOH 107 13.135 -2.433 20.763 1.00 48.21 O HETATM 1233 O HOH 108 3.930 10.112 -9.528 1.00 56.46 O HETATM 1234 O HOH 109 6.300 -4.988 22.436 1.00 56.71 O HETATM 1235 O HOH 110 10.851 28.006 8.560 1.00 60.26 O HETATM 1236 O HOH 111 14.251 -1.090 -4.237 1.00 24.51 O HETATM 1237 O HOH 112 4.876 17.760 -5.649 1.00 32.03 O HETATM 1238 O HOH 113 18.233 19.151 19.954 1.00 57.53 O HETATM 1239 O HOH 114 21.271 13.175 17.752 1.00 51.73 O HETATM 1240 O HOH 115 -5.038 0.938 -7.813 1.00 31.87 O HETATM 1241 O HOH 116 -5.632 -0.995 -0.029 1.00 37.82 O HETATM 1242 O HOH 117 -0.228 2.584 -7.465 1.00 39.94 O HETATM 1243 O HOH 118 16.450 2.391 8.886 1.00 35.50 O HETATM 1244 O HOH 119 2.848 22.102 12.149 1.00 31.02 O HETATM 1245 O HOH 120 3.424 20.375 11.824 1.00 34.67 O HETATM 1246 O HOH 121 0.805 4.187 18.944 1.00 32.11 O HETATM 1247 O HOH 122 19.393 20.613 10.433 1.00 49.67 O HETATM 1248 O HOH 123 18.392 22.020 11.198 1.00 44.15 O HETATM 1249 O HOH 124 9.544 8.103 30.601 1.00 37.37 O HETATM 1250 O HOH 125 22.693 12.265 14.806 1.00 63.83 O HETATM 1251 O HOH 126 21.175 9.360 19.504 1.00 57.52 O HETATM 1252 O HOH 127 -5.313 4.053 11.704 1.00 39.39 O HETATM 1253 C10 UNN A 128 5.040 9.208 22.942 1.00 0.05 C HETATM 1254 C08 UNN A 128 5.652 10.105 22.182 1.00 0.05 C HETATM 1255 C07 UNN A 128 5.797 11.514 22.637 1.00 -0.01 C HETATM 1256 C06 UNN A 128 5.293 11.875 23.804 1.00 0.11 C HETATM 1257 C13 UNN A 128 4.612 10.894 24.658 1.00 -0.02 C HETATM 1258 C12 UNN A 128 4.508 9.635 24.249 1.00 -0.05 C HETATM 1259 H UNN A 128 4.022 8.907 24.889 1.00 0.06 H HETATM 1260 H UNN A 128 4.198 11.195 25.614 1.00 0.06 H HETATM 1261 N05 UNN A 128 5.358 13.217 24.214 1.00 -0.15 N HETATM 1262 N04 UNN A 128 4.322 13.994 24.156 1.00 -0.19 N HETATM 1263 C03 UNN A 128 4.642 15.195 24.546 1.00 0.07 C HETATM 1264 C02 UNN A 128 3.664 16.313 24.588 1.00 0.07 C HETATM 1265 O01 UNN A 128 3.978 17.399 24.987 1.00 -0.56 O HETATM 1266 O42 UNN A 128 2.552 16.083 24.179 1.00 -0.56 O HETATM 1267 C41 UNN A 128 6.023 15.207 24.863 1.00 -0.03 C HETATM 1268 C14 UNN A 128 6.433 13.932 24.607 1.00 0.11 C HETATM 1269 C15 UNN A 128 7.820 13.399 24.801 1.00 0.01 C HETATM 1270 C16 UNN A 128 8.866 14.156 24.450 1.00 -0.06 C HETATM 1271 C17 UNN A 128 10.245 13.649 24.622 1.00 -0.06 C HETATM 1272 C18 UNN A 128 10.449 12.400 25.127 1.00 -0.02 C HETATM 1273 C19 UNN A 128 11.885 11.907 25.335 1.00 0.07 C HETATM 1274 N20 UNN A 128 12.107 10.580 24.889 1.00 -0.25 N HETATM 1275 C21 UNN A 128 12.531 9.545 25.773 1.00 0.18 C HETATM 1276 C22 UNN A 128 12.701 9.834 27.258 1.00 0.03 C HETATM 1277 H UNN A 128 13.031 8.920 27.774 1.00 0.05 H HETATM 1278 H UNN A 128 11.741 10.166 27.679 1.00 0.05 H HETATM 1279 H UNN A 128 13.454 10.624 27.394 1.00 0.05 H HETATM 1280 O23 UNN A 128 12.734 8.450 25.310 1.00 -0.40 O HETATM 1281 C24 UNN A 128 11.952 10.332 23.537 1.00 0.07 C HETATM 1282 C25 UNN A 128 13.153 10.710 22.761 1.00 -0.02 C HETATM 1283 C26 UNN A 128 14.249 9.938 22.815 1.00 -0.06 C HETATM 1284 C27 UNN A 128 15.426 10.311 21.974 1.00 -0.06 C HETATM 1285 C28 UNN A 128 15.376 11.425 21.231 1.00 0.01 C HETATM 1286 C29 UNN A 128 16.484 11.841 20.364 1.00 0.12 C HETATM 1287 C30 UNN A 128 17.673 11.212 20.078 1.00 -0.05 C HETATM 1288 C31 UNN A 128 18.331 11.987 19.159 1.00 -0.05 C HETATM 1289 C32 UNN A 128 17.510 13.032 18.913 1.00 0.15 C HETATM 1290 C33 UNN A 128 17.717 14.167 17.991 1.00 0.09 C HETATM 1291 O34 UNN A 128 18.674 14.170 17.280 1.00 -0.56 O HETATM 1292 O35 UNN A 128 16.828 15.011 18.042 1.00 -0.56 O HETATM 1293 O36 UNN A 128 16.374 12.966 19.621 1.00 -0.25 O HETATM 1294 H UNN A 128 19.310 11.800 18.719 1.00 0.04 H HETATM 1295 H UNN A 128 18.026 10.273 20.503 1.00 0.04 H HETATM 1296 C37 UNN A 128 14.140 12.263 21.160 1.00 -0.06 C HETATM 1297 C38 UNN A 128 13.106 11.919 21.886 1.00 -0.06 C HETATM 1298 H UNN A 128 12.204 12.520 21.851 1.00 0.06 H HETATM 1299 H UNN A 128 14.101 13.137 20.521 1.00 0.06 H HETATM 1300 H UNN A 128 16.312 9.687 21.965 1.00 0.06 H HETATM 1301 H UNN A 128 14.280 9.063 23.454 1.00 0.06 H HETATM 1302 H UNN A 128 11.093 10.911 23.166 1.00 0.07 H HETATM 1303 H UNN A 128 11.760 9.258 23.393 1.00 0.07 H HETATM 1304 H UNN A 128 12.115 11.954 26.410 1.00 0.07 H HETATM 1305 H UNN A 128 12.564 12.575 24.785 1.00 0.07 H HETATM 1306 C39 UNN A 128 9.288 11.560 25.511 1.00 -0.06 C HETATM 1307 C40 UNN A 128 8.033 12.015 25.334 1.00 -0.06 C HETATM 1308 H UNN A 128 7.184 11.385 25.575 1.00 0.06 H HETATM 1309 H UNN A 128 9.451 10.576 25.936 1.00 0.06 H HETATM 1310 H UNN A 128 11.091 14.269 24.347 1.00 0.06 H HETATM 1311 H UNN A 128 8.702 15.145 24.038 1.00 0.06 H HETATM 1312 H UNN A 128 6.620 16.042 25.227 1.00 0.04 H HETATM 1313 H UNN A 128 6.312 12.239 22.016 1.00 0.06 H HETATM 1314 CL0 UNN A 128 6.344 9.645 20.659 1.00 -0.07 CL HETATM 1315 CL1 UNN A 128 4.862 7.547 22.498 1.00 -0.08 CL CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 1253 1254 1258 1315 CONECT 1254 1253 1255 1314 CONECT 1255 1254 1256 1313 CONECT 1256 1255 1257 1261 CONECT 1257 1256 1258 1260 CONECT 1258 1253 1257 1259 CONECT 1259 1258 CONECT 1260 1257 CONECT 1261 1256 1262 1268 CONECT 1262 1261 1263 CONECT 1263 1262 1264 1267 CONECT 1264 1263 1265 1266 CONECT 1265 1264 CONECT 1266 1264 CONECT 1267 1263 1268 1312 CONECT 1268 1261 1267 1269 CONECT 1269 1268 1270 1307 CONECT 1270 1269 1271 1311 CONECT 1271 1270 1272 1310 CONECT 1272 1271 1273 1306 CONECT 1273 1272 1274 1304 1305 CONECT 1274 1273 1275 1281 CONECT 1275 1274 1276 1280 CONECT 1276 1275 1277 1278 1279 CONECT 1277 1276 CONECT 1278 1276 CONECT 1279 1276 CONECT 1280 1275 CONECT 1281 1274 1282 1302 1303 CONECT 1282 1281 1283 1297 CONECT 1283 1282 1284 1301 CONECT 1284 1283 1285 1300 CONECT 1285 1284 1286 1296 CONECT 1286 1285 1287 1293 CONECT 1287 1286 1288 1295 CONECT 1288 1287 1289 1294 CONECT 1289 1288 1290 1293 CONECT 1290 1289 1291 1292 CONECT 1291 1290 CONECT 1292 1290 CONECT 1293 1286 1289 CONECT 1294 1288 CONECT 1295 1287 CONECT 1296 1285 1297 1299 CONECT 1297 1282 1296 1298 CONECT 1298 1297 CONECT 1299 1296 CONECT 1300 1284 CONECT 1301 1283 CONECT 1302 1281 CONECT 1303 1281 CONECT 1304 1273 CONECT 1305 1273 CONECT 1306 1272 1307 1309 CONECT 1307 1269 1306 1308 CONECT 1308 1307 CONECT 1309 1306 CONECT 1310 1271 CONECT 1311 1270 CONECT 1312 1267 CONECT 1313 1255 CONECT 1314 1254 CONECT 1315 1253 MASTER 0 0 0 0 0 0 0 0 1314 1 67 10 END
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Related entries of code: 4r4q
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%
4r4t
RCSB PDB
PDBbind
123aa, >4R4T_1|Chain... at 100%
5e7n
RCSB PDB
PDBbind
123aa, >5E7N_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
4r4q
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Replication protein A 70 kDa DNA-binding subunit RPA70N
Ligand Name
3HZ
EC.Number
E.C.-.-.-.-
Resolution
1.35(Å)
Affinity (Kd/Ki/IC50)
Kd=8.2uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) ACS Med.Chem.Lett.Vol.6: pp.140-145
Ligand Properties
Formula
C
3
1
H
2
3
Cl
2
N
3
O
6
Molecular Weight
604.437
Exact Mass
603.096
No. of atoms
65
No. of bonds
69
Polar Surface Area
125.87
LOGP Value
7.62 (
Computed with XLOGP3
)
7.05 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 5
Canonical SMILES
CC(=O)N(Cc1ccc(cc1)c1ccc(o1)C(=O)O)Cc1ccc(cc1)c1cc(nn1c1ccc(c(c1)Cl)Cl)C(=O)O
InChI String
InChI=1S/C31H23Cl2N3O6/c1-18(37)35(17-20-4-8-22(9-5-20)28-12-13-29(42-28)31(40)41)16-19-2-6-21(7-3-19)27-15-26(30(38)39)34-36(27)23-10-11-24(32)25(33)14-23/h2-15H,16-17H2,1H3,(H,38,39)(H,40,41)
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):
P27694
Entrez Gene ID
NCBI Entrez Gene ID:
6117
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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