Browse entries in the PDBbind-CN Database
HEADER 1VJ6_COMPLEX COMPND 1VJ6_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 95 MET LYS PRO GLY ASP THR PHE GLU VAL GLU LEU ALA LYS SEQRES 2 A 95 THR ASP GLY SER LEU GLY ILE SER VAL THR GLY GLY VAL SEQRES 3 A 95 ASN THR SER VAL ARG HIS GLY GLY ILE TYR VAL LYS ALA SEQRES 4 A 95 ILE ILE PRO LYS GLY ALA ALA GLU SER ASP GLY ARG ILE SEQRES 5 A 95 HIS LYS GLY ASP ARG VAL LEU ALA VAL ASN GLY VAL SER SEQRES 6 A 95 LEU GLU GLY ALA THR HIS LYS GLN ALA VAL GLU THR LEU SEQRES 7 A 95 ARG ASN THR GLY GLN VAL VAL HIS LEU LEU LEU GLU LYS SEQRES 8 A 95 GLY GLN VAL PRO HET TYR A 96 100 ATOM 1 N MET A 8 -15.115 -10.263 -1.351 1.00 0.00 N ATOM 2 CA MET A 8 -14.934 -11.501 -0.659 1.00 0.00 C ATOM 3 C MET A 8 -14.590 -12.580 -1.627 1.00 0.00 C ATOM 4 O MET A 8 -15.304 -13.570 -1.779 1.00 0.00 O ATOM 5 CB MET A 8 -16.174 -11.831 0.189 1.00 0.00 C ATOM 6 CG MET A 8 -15.961 -12.906 1.257 1.00 0.00 C ATOM 7 SD MET A 8 -17.426 -13.198 2.293 1.00 0.00 S ATOM 8 CE MET A 8 -18.401 -14.071 1.034 1.00 0.00 C ATOM 9 HA MET A 8 -14.098 -11.414 0.035 1.00 0.00 H ATOM 10 HB2 MET A 8 -16.495 -10.917 0.688 1.00 0.00 H ATOM 11 HB3 MET A 8 -16.962 -12.173 -0.482 1.00 0.00 H ATOM 12 HG2 MET A 8 -15.139 -12.595 1.901 1.00 0.00 H ATOM 13 HG3 MET A 8 -15.698 -13.840 0.760 1.00 0.00 H ATOM 14 HE1 MET A 8 -18.556 -13.415 0.177 1.00 0.00 H ATOM 15 HE2 MET A 8 -17.865 -14.965 0.717 1.00 0.00 H ATOM 16 HE3 MET A 8 -19.366 -14.354 1.455 1.00 0.00 H ATOM 17 HN3 MET A 8 -15.886 -10.363 -2.042 1.00 0.00 H ATOM 18 HN2 MET A 8 -14.235 -10.012 -1.846 1.00 0.00 H ATOM 19 HN1 MET A 8 -15.355 -9.517 -0.667 1.00 0.00 H ATOM 20 N LYS A 9 -13.463 -12.433 -2.346 1.00 0.00 N ATOM 21 CA LYS A 9 -13.018 -13.377 -3.324 1.00 0.00 C ATOM 22 C LYS A 9 -11.539 -13.526 -3.213 1.00 0.00 C ATOM 23 O LYS A 9 -10.876 -12.543 -2.888 1.00 0.00 O ATOM 24 CB LYS A 9 -13.363 -12.916 -4.750 1.00 0.00 C ATOM 25 CG LYS A 9 -14.846 -13.084 -5.088 1.00 0.00 C ATOM 26 CD LYS A 9 -15.232 -12.638 -6.500 1.00 0.00 C ATOM 27 CE LYS A 9 -15.230 -11.117 -6.667 1.00 0.00 C ATOM 28 NZ LYS A 9 -15.814 -10.725 -7.968 1.00 0.00 N ATOM 29 HA LYS A 9 -13.522 -14.325 -3.138 1.00 0.00 H ATOM 30 HB2 LYS A 9 -13.101 -11.863 -4.848 1.00 0.00 H ATOM 31 HB3 LYS A 9 -12.776 -13.503 -5.457 1.00 0.00 H ATOM 32 HG2 LYS A 9 -15.102 -14.138 -4.982 1.00 0.00 H ATOM 33 HG3 LYS A 9 -15.426 -12.498 -4.375 1.00 0.00 H ATOM 34 HD2 LYS A 9 -14.521 -13.066 -7.207 1.00 0.00 H ATOM 35 HD3 LYS A 9 -16.232 -13.011 -6.721 1.00 0.00 H ATOM 36 HE2 LYS A 9 -14.204 -10.754 -6.613 1.00 0.00 H ATOM 37 HE3 LYS A 9 -15.815 -10.669 -5.864 1.00 0.00 H ATOM 38 HZ1 LYS A 9 -15.256 -11.146 -8.738 1.00 0.00 H ATOM 39 HZ2 LYS A 9 -16.795 -11.066 -8.023 1.00 0.00 H ATOM 40 HZ3 LYS A 9 -15.800 -9.689 -8.055 1.00 0.00 H ATOM 41 H LYS A 9 -12.883 -11.586 -2.182 1.00 0.00 H ATOM 42 N PRO A 10 -10.927 -14.647 -3.454 1.00 0.00 N ATOM 43 CA PRO A 10 -9.501 -14.727 -3.577 1.00 0.00 C ATOM 44 C PRO A 10 -9.030 -14.171 -4.877 1.00 0.00 C ATOM 45 O PRO A 10 -9.819 -13.976 -5.800 1.00 0.00 O ATOM 46 CB PRO A 10 -9.204 -16.220 -3.469 1.00 0.00 C ATOM 47 CG PRO A 10 -10.448 -16.897 -4.063 1.00 0.00 C ATOM 48 CD PRO A 10 -11.573 -15.937 -3.641 1.00 0.00 C ATOM 49 HA PRO A 10 -8.986 -14.142 -2.815 1.00 0.00 H ATOM 50 HD3 PRO A 10 -12.334 -15.874 -4.419 1.00 0.00 H ATOM 51 HD2 PRO A 10 -12.033 -16.272 -2.711 1.00 0.00 H ATOM 52 HG3 PRO A 10 -10.597 -17.891 -3.641 1.00 0.00 H ATOM 53 HG2 PRO A 10 -10.378 -16.971 -5.148 1.00 0.00 H ATOM 54 HB2 PRO A 10 -8.313 -16.479 -4.040 1.00 0.00 H ATOM 55 HB3 PRO A 10 -9.065 -16.512 -2.428 1.00 0.00 H ATOM 56 N GLY A 11 -7.722 -13.871 -4.977 1.00 0.00 N ATOM 57 CA GLY A 11 -7.106 -13.279 -6.124 1.00 0.00 C ATOM 58 C GLY A 11 -7.529 -11.883 -6.426 1.00 0.00 C ATOM 59 O GLY A 11 -7.562 -11.481 -7.588 1.00 0.00 O ATOM 60 HA3 GLY A 11 -7.342 -13.897 -6.990 1.00 0.00 H ATOM 61 HA2 GLY A 11 -6.028 -13.277 -5.964 1.00 0.00 H ATOM 62 H GLY A 11 -7.115 -14.085 -4.160 1.00 0.00 H ATOM 63 N ASP A 12 -7.888 -11.082 -5.406 1.00 0.00 N ATOM 64 CA ASP A 12 -8.408 -9.764 -5.596 1.00 0.00 C ATOM 65 C ASP A 12 -7.399 -8.737 -5.212 1.00 0.00 C ATOM 66 O ASP A 12 -6.765 -8.818 -4.161 1.00 0.00 O ATOM 67 CB ASP A 12 -9.730 -9.631 -4.822 1.00 0.00 C ATOM 68 CG ASP A 12 -10.646 -8.631 -5.513 1.00 0.00 C ATOM 69 OD1 ASP A 12 -10.373 -7.402 -5.449 1.00 0.00 O ATOM 70 OD2 ASP A 12 -11.648 -9.063 -6.142 1.00 0.00 O ATOM 71 HA ASP A 12 -8.622 -9.591 -6.651 1.00 0.00 H ATOM 72 HB2 ASP A 12 -10.223 -10.602 -4.781 1.00 0.00 H ATOM 73 HB3 ASP A 12 -9.521 -9.288 -3.809 1.00 0.00 H ATOM 74 H ASP A 12 -7.782 -11.438 -4.435 1.00 0.00 H ATOM 75 N THR A 13 -7.184 -7.744 -6.094 1.00 0.00 N ATOM 76 CA THR A 13 -6.279 -6.648 -5.928 1.00 0.00 C ATOM 77 C THR A 13 -7.002 -5.356 -6.094 1.00 0.00 C ATOM 78 O THR A 13 -7.755 -5.155 -7.045 1.00 0.00 O ATOM 79 CB THR A 13 -5.136 -6.623 -6.898 1.00 0.00 C ATOM 80 OG1 THR A 13 -5.497 -7.188 -8.150 1.00 0.00 O ATOM 81 CG2 THR A 13 -3.975 -7.461 -6.340 1.00 0.00 C ATOM 82 HA THR A 13 -5.872 -6.783 -4.926 1.00 0.00 H ATOM 83 HB THR A 13 -4.852 -5.580 -7.038 1.00 0.00 H ATOM 84 HG1 THR A 13 -4.720 -7.154 -8.762 1.00 0.00 H ATOM 85 HG23 THR A 13 -3.668 -7.057 -5.375 1.00 0.00 H ATOM 86 HG21 THR A 13 -4.301 -8.494 -6.216 1.00 0.00 H ATOM 87 HG22 THR A 13 -3.136 -7.424 -7.034 1.00 0.00 H ATOM 88 H THR A 13 -7.727 -7.776 -6.980 1.00 0.00 H ATOM 89 N PHE A 14 -6.761 -4.402 -5.178 1.00 0.00 N ATOM 90 CA PHE A 14 -7.270 -3.067 -5.232 1.00 0.00 C ATOM 91 C PHE A 14 -6.134 -2.119 -5.414 1.00 0.00 C ATOM 92 O PHE A 14 -5.247 -2.022 -4.568 1.00 0.00 O ATOM 93 CB PHE A 14 -8.193 -2.582 -4.101 1.00 0.00 C ATOM 94 CG PHE A 14 -7.938 -2.970 -2.686 1.00 0.00 C ATOM 95 CD1 PHE A 14 -7.724 -4.271 -2.294 1.00 0.00 C ATOM 96 CD2 PHE A 14 -8.065 -2.020 -1.699 1.00 0.00 C ATOM 97 CE1 PHE A 14 -7.519 -4.601 -0.974 1.00 0.00 C ATOM 98 CE2 PHE A 14 -7.837 -2.325 -0.378 1.00 0.00 C ATOM 99 CZ PHE A 14 -7.553 -3.620 -0.013 1.00 0.00 C ATOM 100 HA PHE A 14 -7.949 -3.090 -6.085 1.00 0.00 H ATOM 101 HB2 PHE A 14 -8.176 -1.493 -4.132 1.00 0.00 H ATOM 102 HB3 PHE A 14 -9.195 -2.936 -4.344 1.00 0.00 H ATOM 103 HD2 PHE A 14 -8.352 -1.004 -1.970 1.00 0.00 H ATOM 104 HE2 PHE A 14 -7.881 -1.542 0.379 1.00 0.00 H ATOM 105 HZ PHE A 14 -7.356 -3.866 1.030 1.00 0.00 H ATOM 106 HE1 PHE A 14 -7.330 -5.637 -0.692 1.00 0.00 H ATOM 107 HD1 PHE A 14 -7.717 -5.059 -3.047 1.00 0.00 H ATOM 108 H PHE A 14 -6.159 -4.654 -4.369 1.00 0.00 H ATOM 109 N GLU A 15 -6.115 -1.370 -6.531 1.00 0.00 N ATOM 110 CA GLU A 15 -5.189 -0.298 -6.730 1.00 0.00 C ATOM 111 C GLU A 15 -5.804 0.993 -6.313 1.00 0.00 C ATOM 112 O GLU A 15 -6.523 1.664 -7.053 1.00 0.00 O ATOM 113 CB GLU A 15 -4.616 -0.223 -8.155 1.00 0.00 C ATOM 114 CG GLU A 15 -4.601 -1.543 -8.929 1.00 0.00 C ATOM 115 CD GLU A 15 -5.806 -1.645 -9.852 1.00 0.00 C ATOM 116 OE1 GLU A 15 -6.943 -1.908 -9.377 1.00 0.00 O ATOM 117 OE2 GLU A 15 -5.615 -1.418 -11.076 1.00 0.00 O ATOM 118 HA GLU A 15 -4.328 -0.506 -6.094 1.00 0.00 H ATOM 119 HB2 GLU A 15 -5.214 0.492 -8.721 1.00 0.00 H ATOM 120 HB3 GLU A 15 -3.590 0.138 -8.086 1.00 0.00 H ATOM 121 HG2 GLU A 15 -3.690 -1.598 -9.524 1.00 0.00 H ATOM 122 HG3 GLU A 15 -4.622 -2.372 -8.222 1.00 0.00 H ATOM 123 H GLU A 15 -6.803 -1.579 -7.282 1.00 0.00 H ATOM 124 N VAL A 16 -5.584 1.363 -5.038 1.00 0.00 N ATOM 125 CA VAL A 16 -6.104 2.527 -4.393 1.00 0.00 C ATOM 126 C VAL A 16 -5.210 3.710 -4.546 1.00 0.00 C ATOM 127 O VAL A 16 -4.036 3.627 -4.186 1.00 0.00 O ATOM 128 CB VAL A 16 -6.178 2.240 -2.922 1.00 0.00 C ATOM 129 CG1 VAL A 16 -6.861 3.407 -2.191 1.00 0.00 C ATOM 130 CG2 VAL A 16 -6.949 0.926 -2.707 1.00 0.00 C ATOM 131 HA VAL A 16 -7.071 2.752 -4.844 1.00 0.00 H ATOM 132 HB VAL A 16 -5.174 2.132 -2.513 1.00 0.00 H ATOM 133 HG11 VAL A 16 -6.287 4.320 -2.350 1.00 0.00 H ATOM 134 HG12 VAL A 16 -7.870 3.538 -2.582 1.00 0.00 H ATOM 135 HG13 VAL A 16 -6.909 3.188 -1.124 1.00 0.00 H ATOM 136 HG21 VAL A 16 -7.955 1.026 -3.114 1.00 0.00 H ATOM 137 HG22 VAL A 16 -6.429 0.114 -3.215 1.00 0.00 H ATOM 138 HG23 VAL A 16 -7.007 0.711 -1.640 1.00 0.00 H ATOM 139 H VAL A 16 -4.977 0.741 -4.467 1.00 0.00 H ATOM 140 N GLU A 17 -5.670 4.888 -5.005 1.00 0.00 N ATOM 141 CA GLU A 17 -4.851 6.058 -5.058 1.00 0.00 C ATOM 142 C GLU A 17 -5.280 7.035 -4.018 1.00 0.00 C ATOM 143 O GLU A 17 -6.434 7.444 -3.903 1.00 0.00 O ATOM 144 CB GLU A 17 -4.654 6.627 -6.474 1.00 0.00 C ATOM 145 CG GLU A 17 -4.678 8.142 -6.689 1.00 0.00 C ATOM 146 CD GLU A 17 -6.028 8.678 -7.145 1.00 0.00 C ATOM 147 OE1 GLU A 17 -7.095 8.065 -6.872 1.00 0.00 O ATOM 148 OE2 GLU A 17 -6.031 9.727 -7.842 1.00 0.00 O ATOM 149 HA GLU A 17 -3.832 5.770 -4.800 1.00 0.00 H ATOM 150 HB2 GLU A 17 -3.685 6.272 -6.826 1.00 0.00 H ATOM 151 HB3 GLU A 17 -5.443 6.206 -7.097 1.00 0.00 H ATOM 152 HG2 GLU A 17 -4.416 8.627 -5.749 1.00 0.00 H ATOM 153 HG3 GLU A 17 -3.935 8.394 -7.446 1.00 0.00 H ATOM 154 H GLU A 17 -6.655 4.949 -5.332 1.00 0.00 H ATOM 155 N LEU A 18 -4.316 7.390 -3.150 1.00 0.00 N ATOM 156 CA LEU A 18 -4.525 8.207 -1.995 1.00 0.00 C ATOM 157 C LEU A 18 -3.579 9.358 -2.037 1.00 0.00 C ATOM 158 O LEU A 18 -2.513 9.291 -2.646 1.00 0.00 O ATOM 159 CB LEU A 18 -4.193 7.421 -0.715 1.00 0.00 C ATOM 160 CG LEU A 18 -4.968 6.100 -0.577 1.00 0.00 C ATOM 161 CD1 LEU A 18 -4.369 5.283 0.579 1.00 0.00 C ATOM 162 CD2 LEU A 18 -6.486 6.321 -0.466 1.00 0.00 C ATOM 163 HA LEU A 18 -5.566 8.531 -1.991 1.00 0.00 H ATOM 164 HB2 LEU A 18 -3.127 7.195 -0.717 1.00 0.00 H ATOM 165 HB3 LEU A 18 -4.428 8.049 0.144 1.00 0.00 H ATOM 166 HG LEU A 18 -4.852 5.515 -1.489 1.00 0.00 H ATOM 167 HD21 LEU A 18 -6.700 6.931 0.412 1.00 0.00 H ATOM 168 HD22 LEU A 18 -6.844 6.831 -1.361 1.00 0.00 H ATOM 169 HD23 LEU A 18 -6.986 5.357 -0.371 1.00 0.00 H ATOM 170 HD11 LEU A 18 -3.320 5.073 0.369 1.00 0.00 H ATOM 171 HD12 LEU A 18 -4.448 5.853 1.504 1.00 0.00 H ATOM 172 HD13 LEU A 18 -4.915 4.345 0.681 1.00 0.00 H ATOM 173 H LEU A 18 -3.351 7.046 -3.331 1.00 0.00 H ATOM 174 N ALA A 19 -3.925 10.443 -1.322 1.00 0.00 N ATOM 175 CA ALA A 19 -2.994 11.475 -0.988 1.00 0.00 C ATOM 176 C ALA A 19 -2.855 11.494 0.496 1.00 0.00 C ATOM 177 O ALA A 19 -3.789 11.802 1.235 1.00 0.00 O ATOM 178 CB ALA A 19 -3.432 12.833 -1.561 1.00 0.00 C ATOM 179 HA ALA A 19 -2.021 11.274 -1.437 1.00 0.00 H ATOM 180 HB1 ALA A 19 -3.498 12.764 -2.647 1.00 0.00 H ATOM 181 HB2 ALA A 19 -4.407 13.101 -1.153 1.00 0.00 H ATOM 182 HB3 ALA A 19 -2.701 13.594 -1.288 1.00 0.00 H ATOM 183 H ALA A 19 -4.909 10.535 -0.999 1.00 0.00 H ATOM 184 N LYS A 20 -1.663 11.134 1.004 1.00 0.00 N ATOM 185 CA LYS A 20 -1.317 11.153 2.392 1.00 0.00 C ATOM 186 C LYS A 20 -1.492 12.483 3.041 1.00 0.00 C ATOM 187 O LYS A 20 -1.067 13.521 2.536 1.00 0.00 O ATOM 188 CB LYS A 20 0.152 10.727 2.566 1.00 0.00 C ATOM 189 CG LYS A 20 1.052 11.313 1.475 1.00 0.00 C ATOM 190 CD LYS A 20 2.471 11.648 1.939 1.00 0.00 C ATOM 191 CE LYS A 20 3.348 10.418 2.181 1.00 0.00 C ATOM 192 NZ LYS A 20 4.591 10.828 2.872 1.00 0.00 N ATOM 193 HA LYS A 20 -2.003 10.459 2.878 1.00 0.00 H ATOM 194 HB2 LYS A 20 0.506 11.072 3.538 1.00 0.00 H ATOM 195 HB3 LYS A 20 0.211 9.639 2.524 1.00 0.00 H ATOM 196 HG2 LYS A 20 1.120 10.589 0.663 1.00 0.00 H ATOM 197 HG3 LYS A 20 0.589 12.228 1.106 1.00 0.00 H ATOM 198 HD2 LYS A 20 2.946 12.264 1.176 1.00 0.00 H ATOM 199 HD3 LYS A 20 2.405 12.212 2.870 1.00 0.00 H ATOM 200 HE2 LYS A 20 3.598 9.956 1.226 1.00 0.00 H ATOM 201 HE3 LYS A 20 2.807 9.702 2.799 1.00 0.00 H ATOM 202 HZ1 LYS A 20 5.106 11.511 2.281 1.00 0.00 H ATOM 203 HZ2 LYS A 20 4.351 11.268 3.783 1.00 0.00 H ATOM 204 HZ3 LYS A 20 5.187 9.992 3.036 1.00 0.00 H ATOM 205 H LYS A 20 -0.934 10.816 0.334 1.00 0.00 H ATOM 206 N THR A 21 -2.139 12.510 4.219 1.00 0.00 N ATOM 207 CA THR A 21 -2.447 13.724 4.911 1.00 0.00 C ATOM 208 C THR A 21 -1.415 13.965 5.957 1.00 0.00 C ATOM 209 O THR A 21 -1.292 13.225 6.932 1.00 0.00 O ATOM 210 CB THR A 21 -3.865 13.781 5.399 1.00 0.00 C ATOM 211 OG1 THR A 21 -4.173 15.032 5.995 1.00 0.00 O ATOM 212 CG2 THR A 21 -4.226 12.668 6.397 1.00 0.00 C ATOM 213 HA THR A 21 -2.400 14.558 4.211 1.00 0.00 H ATOM 214 HB THR A 21 -4.462 13.636 4.499 1.00 0.00 H ATOM 215 HG1 THR A 21 -5.114 15.027 6.302 1.00 0.00 H ATOM 216 HG23 THR A 21 -3.996 11.698 5.956 1.00 0.00 H ATOM 217 HG21 THR A 21 -3.647 12.800 7.311 1.00 0.00 H ATOM 218 HG22 THR A 21 -5.290 12.720 6.628 1.00 0.00 H ATOM 219 H THR A 21 -2.429 11.608 4.647 1.00 0.00 H ATOM 220 N ASP A 22 -0.574 14.993 5.744 1.00 0.00 N ATOM 221 CA ASP A 22 0.574 15.362 6.512 1.00 0.00 C ATOM 222 C ASP A 22 1.486 14.243 6.878 1.00 0.00 C ATOM 223 O ASP A 22 1.802 14.009 8.043 1.00 0.00 O ATOM 224 CB ASP A 22 0.212 16.209 7.744 1.00 0.00 C ATOM 225 CG ASP A 22 -0.351 17.583 7.413 1.00 0.00 C ATOM 226 OD1 ASP A 22 -0.477 17.964 6.218 1.00 0.00 O ATOM 227 OD2 ASP A 22 -0.633 18.329 8.388 1.00 0.00 O ATOM 228 HA ASP A 22 1.149 15.982 5.824 1.00 0.00 H ATOM 229 HB2 ASP A 22 -0.532 15.666 8.326 1.00 0.00 H ATOM 230 HB3 ASP A 22 1.113 16.344 8.343 1.00 0.00 H ATOM 231 H ASP A 22 -0.785 15.592 4.920 1.00 0.00 H ATOM 232 N GLY A 23 1.965 13.489 5.871 1.00 0.00 N ATOM 233 CA GLY A 23 2.887 12.415 6.068 1.00 0.00 C ATOM 234 C GLY A 23 2.312 11.210 6.732 1.00 0.00 C ATOM 235 O GLY A 23 2.878 10.699 7.697 1.00 0.00 O ATOM 236 HA3 GLY A 23 3.709 12.782 6.683 1.00 0.00 H ATOM 237 HA2 GLY A 23 3.271 12.114 5.093 1.00 0.00 H ATOM 238 H GLY A 23 1.649 13.698 4.903 1.00 0.00 H ATOM 239 N SER A 24 1.180 10.701 6.216 1.00 0.00 N ATOM 240 CA SER A 24 0.463 9.600 6.777 1.00 0.00 C ATOM 241 C SER A 24 -0.703 9.317 5.892 1.00 0.00 C ATOM 242 O SER A 24 -1.644 10.100 5.773 1.00 0.00 O ATOM 243 CB SER A 24 0.017 9.722 8.244 1.00 0.00 C ATOM 244 OG SER A 24 -0.587 10.967 8.562 1.00 0.00 O ATOM 245 HA SER A 24 1.175 8.776 6.818 1.00 0.00 H ATOM 246 HB2 SER A 24 0.892 9.593 8.881 1.00 0.00 H ATOM 247 HB3 SER A 24 -0.702 8.929 8.451 1.00 0.00 H ATOM 248 HG SER A 24 -1.392 11.095 8.000 1.00 0.00 H ATOM 249 H SER A 24 0.801 11.137 5.351 1.00 0.00 H ATOM 250 N LEU A 25 -0.655 8.158 5.213 1.00 0.00 N ATOM 251 CA LEU A 25 -1.725 7.515 4.515 1.00 0.00 C ATOM 252 C LEU A 25 -2.736 7.076 5.518 1.00 0.00 C ATOM 253 O LEU A 25 -3.924 7.388 5.470 1.00 0.00 O ATOM 254 CB LEU A 25 -1.169 6.239 3.860 1.00 0.00 C ATOM 255 CG LEU A 25 -0.017 6.464 2.866 1.00 0.00 C ATOM 256 CD1 LEU A 25 0.694 5.126 2.599 1.00 0.00 C ATOM 257 CD2 LEU A 25 -0.515 7.161 1.589 1.00 0.00 C ATOM 258 HA LEU A 25 -2.157 8.191 3.778 1.00 0.00 H ATOM 259 HB2 LEU A 25 -0.809 5.582 4.652 1.00 0.00 H ATOM 260 HB3 LEU A 25 -1.984 5.750 3.327 1.00 0.00 H ATOM 261 HG LEU A 25 0.719 7.142 3.297 1.00 0.00 H ATOM 262 HD21 LEU A 25 -1.273 6.541 1.110 1.00 0.00 H ATOM 263 HD22 LEU A 25 -0.946 8.128 1.849 1.00 0.00 H ATOM 264 HD23 LEU A 25 0.322 7.306 0.906 1.00 0.00 H ATOM 265 HD11 LEU A 25 1.091 4.734 3.535 1.00 0.00 H ATOM 266 HD12 LEU A 25 -0.018 4.415 2.179 1.00 0.00 H ATOM 267 HD13 LEU A 25 1.511 5.284 1.895 1.00 0.00 H ATOM 268 H LEU A 25 0.265 7.674 5.193 1.00 0.00 H ATOM 269 N GLY A 26 -2.236 6.322 6.513 1.00 0.00 N ATOM 270 CA GLY A 26 -3.007 5.892 7.638 1.00 0.00 C ATOM 271 C GLY A 26 -2.799 4.446 7.935 1.00 0.00 C ATOM 272 O GLY A 26 -3.689 3.824 8.511 1.00 0.00 O ATOM 273 HA3 GLY A 26 -4.063 6.060 7.427 1.00 0.00 H ATOM 274 HA2 GLY A 26 -2.715 6.477 8.510 1.00 0.00 H ATOM 275 H GLY A 26 -1.237 6.037 6.462 1.00 0.00 H ATOM 276 N ILE A 27 -1.630 3.891 7.571 1.00 0.00 N ATOM 277 CA ILE A 27 -1.351 2.536 7.933 1.00 0.00 C ATOM 278 C ILE A 27 -0.050 2.428 8.653 1.00 0.00 C ATOM 279 O ILE A 27 0.942 3.071 8.317 1.00 0.00 O ATOM 280 CB ILE A 27 -1.487 1.560 6.803 1.00 0.00 C ATOM 281 CG1 ILE A 27 -0.494 1.852 5.666 1.00 0.00 C ATOM 282 CG2 ILE A 27 -2.945 1.587 6.315 1.00 0.00 C ATOM 283 CD1 ILE A 27 -0.670 1.053 4.375 1.00 0.00 C ATOM 284 HA ILE A 27 -2.133 2.237 8.631 1.00 0.00 H ATOM 285 HB ILE A 27 -1.240 0.559 7.157 1.00 0.00 H ATOM 286 HG12 ILE A 27 -0.582 2.909 5.415 1.00 0.00 H ATOM 287 HG13 ILE A 27 0.509 1.652 6.044 1.00 0.00 H ATOM 288 HD11 ILE A 27 -0.568 -0.011 4.591 1.00 0.00 H ATOM 289 HD12 ILE A 27 -1.659 1.248 3.961 1.00 0.00 H ATOM 290 HD13 ILE A 27 0.092 1.354 3.656 1.00 0.00 H ATOM 291 HG21 ILE A 27 -3.606 1.306 7.134 1.00 0.00 H ATOM 292 HG22 ILE A 27 -3.194 2.592 5.974 1.00 0.00 H ATOM 293 HG23 ILE A 27 -3.064 0.883 5.492 1.00 0.00 H ATOM 294 H ILE A 27 -0.934 4.443 7.030 1.00 0.00 H ATOM 295 N SER A 28 -0.064 1.607 9.719 1.00 0.00 N ATOM 296 CA SER A 28 1.084 1.086 10.393 1.00 0.00 C ATOM 297 C SER A 28 1.563 -0.178 9.766 1.00 0.00 C ATOM 298 O SER A 28 0.852 -1.181 9.727 1.00 0.00 O ATOM 299 CB SER A 28 0.889 0.707 11.871 1.00 0.00 C ATOM 300 OG SER A 28 0.702 1.885 12.642 1.00 0.00 O ATOM 301 HA SER A 28 1.780 1.921 10.315 1.00 0.00 H ATOM 302 HB2 SER A 28 1.770 0.174 12.229 1.00 0.00 H ATOM 303 HB3 SER A 28 0.013 0.065 11.969 1.00 0.00 H ATOM 304 HG SER A 28 0.577 1.639 13.593 1.00 0.00 H ATOM 305 H SER A 28 -0.995 1.326 10.086 1.00 0.00 H ATOM 306 N VAL A 29 2.818 -0.169 9.284 1.00 0.00 N ATOM 307 CA VAL A 29 3.363 -1.276 8.563 1.00 0.00 C ATOM 308 C VAL A 29 3.951 -2.380 9.372 1.00 0.00 C ATOM 309 O VAL A 29 4.623 -2.175 10.381 1.00 0.00 O ATOM 310 CB VAL A 29 4.351 -0.794 7.544 1.00 0.00 C ATOM 311 CG1 VAL A 29 3.574 0.000 6.480 1.00 0.00 C ATOM 312 CG2 VAL A 29 5.459 0.038 8.211 1.00 0.00 C ATOM 313 HA VAL A 29 2.495 -1.734 8.088 1.00 0.00 H ATOM 314 HB VAL A 29 4.856 -1.632 7.064 1.00 0.00 H ATOM 315 HG11 VAL A 29 2.833 -0.649 6.013 1.00 0.00 H ATOM 316 HG12 VAL A 29 3.073 0.845 6.953 1.00 0.00 H ATOM 317 HG13 VAL A 29 4.268 0.365 5.722 1.00 0.00 H ATOM 318 HG21 VAL A 29 5.015 0.901 8.707 1.00 0.00 H ATOM 319 HG22 VAL A 29 5.981 -0.576 8.945 1.00 0.00 H ATOM 320 HG23 VAL A 29 6.164 0.377 7.452 1.00 0.00 H ATOM 321 H VAL A 29 3.411 0.671 9.441 1.00 0.00 H ATOM 322 N THR A 30 3.727 -3.637 8.948 1.00 0.00 N ATOM 323 CA THR A 30 4.300 -4.831 9.488 1.00 0.00 C ATOM 324 C THR A 30 4.647 -5.758 8.374 1.00 0.00 C ATOM 325 O THR A 30 4.420 -5.472 7.199 1.00 0.00 O ATOM 326 CB THR A 30 3.419 -5.500 10.502 1.00 0.00 C ATOM 327 OG1 THR A 30 4.049 -6.570 11.191 1.00 0.00 O ATOM 328 CG2 THR A 30 2.129 -6.041 9.865 1.00 0.00 C ATOM 329 HA THR A 30 5.205 -4.552 10.027 1.00 0.00 H ATOM 330 HB THR A 30 3.191 -4.714 11.222 1.00 0.00 H ATOM 331 HG1 THR A 30 3.413 -6.963 11.840 1.00 0.00 H ATOM 332 HG23 THR A 30 1.625 -5.237 9.329 1.00 0.00 H ATOM 333 HG21 THR A 30 2.377 -6.843 9.170 1.00 0.00 H ATOM 334 HG22 THR A 30 1.473 -6.425 10.646 1.00 0.00 H ATOM 335 H THR A 30 3.072 -3.752 8.148 1.00 0.00 H ATOM 336 N GLY A 31 5.234 -6.926 8.690 1.00 0.00 N ATOM 337 CA GLY A 31 5.629 -7.932 7.753 1.00 0.00 C ATOM 338 C GLY A 31 6.982 -7.694 7.175 1.00 0.00 C ATOM 339 O GLY A 31 7.985 -7.696 7.886 1.00 0.00 O ATOM 340 HA3 GLY A 31 4.903 -7.954 6.940 1.00 0.00 H ATOM 341 HA2 GLY A 31 5.633 -8.897 8.260 1.00 0.00 H ATOM 342 H GLY A 31 5.415 -7.113 9.697 1.00 0.00 H ATOM 343 N GLY A 32 7.065 -7.507 5.845 1.00 0.00 N ATOM 344 CA GLY A 32 8.278 -7.196 5.157 1.00 0.00 C ATOM 345 C GLY A 32 9.058 -8.414 4.797 1.00 0.00 C ATOM 346 O GLY A 32 8.874 -9.478 5.383 1.00 0.00 O ATOM 347 HA3 GLY A 32 8.892 -6.564 5.799 1.00 0.00 H ATOM 348 HA2 GLY A 32 8.033 -6.655 4.243 1.00 0.00 H ATOM 349 H GLY A 32 6.194 -7.594 5.284 1.00 0.00 H ATOM 350 N VAL A 33 10.008 -8.299 3.850 1.00 0.00 N ATOM 351 CA VAL A 33 10.828 -9.374 3.385 1.00 0.00 C ATOM 352 C VAL A 33 11.693 -9.990 4.430 1.00 0.00 C ATOM 353 O VAL A 33 12.140 -11.131 4.333 1.00 0.00 O ATOM 354 CB VAL A 33 11.642 -8.940 2.202 1.00 0.00 C ATOM 355 CG1 VAL A 33 12.862 -8.094 2.606 1.00 0.00 C ATOM 356 CG2 VAL A 33 12.077 -10.154 1.364 1.00 0.00 C ATOM 357 HA VAL A 33 10.137 -10.163 3.086 1.00 0.00 H ATOM 358 HB VAL A 33 11.000 -8.304 1.593 1.00 0.00 H ATOM 359 HG11 VAL A 33 12.525 -7.199 3.129 1.00 0.00 H ATOM 360 HG12 VAL A 33 13.507 -8.679 3.262 1.00 0.00 H ATOM 361 HG13 VAL A 33 13.416 -7.807 1.712 1.00 0.00 H ATOM 362 HG21 VAL A 33 12.679 -10.822 1.980 1.00 0.00 H ATOM 363 HG22 VAL A 33 11.193 -10.684 1.008 1.00 0.00 H ATOM 364 HG23 VAL A 33 12.666 -9.814 0.512 1.00 0.00 H ATOM 365 H VAL A 33 10.156 -7.361 3.426 1.00 0.00 H ATOM 366 N ASN A 34 11.937 -9.252 5.529 1.00 0.00 N ATOM 367 CA ASN A 34 12.721 -9.668 6.651 1.00 0.00 C ATOM 368 C ASN A 34 12.022 -10.688 7.484 1.00 0.00 C ATOM 369 O ASN A 34 12.649 -11.474 8.193 1.00 0.00 O ATOM 370 CB ASN A 34 13.039 -8.407 7.471 1.00 0.00 C ATOM 371 CG ASN A 34 14.266 -8.552 8.361 1.00 0.00 C ATOM 372 OD1 ASN A 34 14.190 -8.890 9.541 1.00 0.00 O ATOM 373 ND2 ASN A 34 15.453 -8.234 7.780 1.00 0.00 N ATOM 374 HA ASN A 34 13.635 -10.150 6.304 1.00 0.00 H ATOM 375 HB2 ASN A 34 13.209 -7.581 6.781 1.00 0.00 H ATOM 376 HB3 ASN A 34 12.180 -8.180 8.102 1.00 0.00 H ATOM 377 HD22 ASN A 34 15.483 -7.952 6.779 1.00 0.00 H ATOM 378 HD21 ASN A 34 16.331 -8.273 8.336 1.00 0.00 H ATOM 379 H ASN A 34 11.521 -8.300 5.565 1.00 0.00 H ATOM 380 N THR A 35 10.682 -10.723 7.381 1.00 0.00 N ATOM 381 CA THR A 35 9.793 -11.671 7.976 1.00 0.00 C ATOM 382 C THR A 35 9.446 -12.643 6.902 1.00 0.00 C ATOM 383 O THR A 35 9.590 -12.353 5.715 1.00 0.00 O ATOM 384 CB THR A 35 8.560 -10.996 8.501 1.00 0.00 C ATOM 385 OG1 THR A 35 8.915 -9.927 9.365 1.00 0.00 O ATOM 386 CG2 THR A 35 7.668 -11.931 9.334 1.00 0.00 C ATOM 387 HA THR A 35 10.260 -12.168 8.826 1.00 0.00 H ATOM 388 HB THR A 35 8.017 -10.659 7.618 1.00 0.00 H ATOM 389 HG1 THR A 35 9.458 -9.267 8.866 1.00 0.00 H ATOM 390 HG23 THR A 35 7.360 -12.778 8.721 1.00 0.00 H ATOM 391 HG21 THR A 35 8.227 -12.290 10.198 1.00 0.00 H ATOM 392 HG22 THR A 35 6.787 -11.385 9.671 1.00 0.00 H ATOM 393 H THR A 35 10.243 -9.977 6.804 1.00 0.00 H ATOM 394 N SER A 36 8.997 -13.872 7.217 1.00 0.00 N ATOM 395 CA SER A 36 8.695 -14.885 6.255 1.00 0.00 C ATOM 396 C SER A 36 7.386 -14.723 5.561 1.00 0.00 C ATOM 397 O SER A 36 6.452 -15.513 5.693 1.00 0.00 O ATOM 398 CB SER A 36 8.840 -16.305 6.826 1.00 0.00 C ATOM 399 OG SER A 36 8.164 -16.495 8.061 1.00 0.00 O ATOM 400 HA SER A 36 9.455 -14.744 5.487 1.00 0.00 H ATOM 401 HB2 SER A 36 9.900 -16.508 6.979 1.00 0.00 H ATOM 402 HB3 SER A 36 8.437 -17.011 6.100 1.00 0.00 H ATOM 403 HG SER A 36 7.197 -16.324 7.936 1.00 0.00 H ATOM 404 H SER A 36 8.861 -14.099 8.223 1.00 0.00 H ATOM 405 N VAL A 37 7.292 -13.665 4.736 1.00 0.00 N ATOM 406 CA VAL A 37 6.196 -13.336 3.878 1.00 0.00 C ATOM 407 C VAL A 37 6.374 -13.971 2.541 1.00 0.00 C ATOM 408 O VAL A 37 7.145 -14.914 2.367 1.00 0.00 O ATOM 409 CB VAL A 37 6.044 -11.847 3.782 1.00 0.00 C ATOM 410 CG1 VAL A 37 5.779 -11.264 5.180 1.00 0.00 C ATOM 411 CG2 VAL A 37 7.275 -11.161 3.165 1.00 0.00 C ATOM 412 HA VAL A 37 5.274 -13.732 4.303 1.00 0.00 H ATOM 413 HB VAL A 37 5.200 -11.653 3.120 1.00 0.00 H ATOM 414 HG11 VAL A 37 4.864 -11.697 5.585 1.00 0.00 H ATOM 415 HG12 VAL A 37 6.616 -11.502 5.836 1.00 0.00 H ATOM 416 HG13 VAL A 37 5.669 -10.182 5.106 1.00 0.00 H ATOM 417 HG21 VAL A 37 8.151 -11.368 3.780 1.00 0.00 H ATOM 418 HG22 VAL A 37 7.437 -11.546 2.158 1.00 0.00 H ATOM 419 HG23 VAL A 37 7.106 -10.085 3.122 1.00 0.00 H ATOM 420 H VAL A 37 8.104 -13.016 4.720 1.00 0.00 H ATOM 421 N ARG A 38 5.687 -13.483 1.494 1.00 0.00 N ATOM 422 CA ARG A 38 5.793 -13.960 0.149 1.00 0.00 C ATOM 423 C ARG A 38 6.970 -13.417 -0.585 1.00 0.00 C ATOM 424 O ARG A 38 6.858 -13.007 -1.739 1.00 0.00 O ATOM 425 CB ARG A 38 4.538 -13.544 -0.636 1.00 0.00 C ATOM 426 CG ARG A 38 3.208 -14.101 -0.126 1.00 0.00 C ATOM 427 CD ARG A 38 2.951 -15.562 -0.500 1.00 0.00 C ATOM 428 NE ARG A 38 1.575 -15.851 -0.006 1.00 0.00 N ATOM 429 CZ ARG A 38 0.903 -17.024 -0.192 1.00 0.00 C ATOM 430 NH1 ARG A 38 1.433 -18.089 -0.862 1.00 0.00 N ATOM 431 NH2 ARG A 38 -0.355 -17.107 0.330 1.00 0.00 N ATOM 432 HA ARG A 38 5.905 -15.042 0.220 1.00 0.00 H ATOM 433 HB2 ARG A 38 4.475 -12.456 -0.611 1.00 0.00 H ATOM 434 HB3 ARG A 38 4.665 -13.876 -1.667 1.00 0.00 H ATOM 435 HG2 ARG A 38 3.198 -14.020 0.961 1.00 0.00 H ATOM 436 HG3 ARG A 38 2.402 -13.495 -0.541 1.00 0.00 H ATOM 437 HD2 ARG A 38 3.677 -16.215 -0.016 1.00 0.00 H ATOM 438 HD3 ARG A 38 3.007 -15.697 -1.580 1.00 0.00 H ATOM 439 HE ARG A 38 1.088 -15.099 0.522 1.00 0.00 H ATOM 440 HH12 ARG A 38 0.877 -18.961 -0.976 1.00 0.00 H ATOM 441 HH11 ARG A 38 2.392 -18.029 -1.259 1.00 0.00 H ATOM 442 HH22 ARG A 38 -0.909 -17.980 0.215 1.00 0.00 H ATOM 443 HH21 ARG A 38 -0.760 -16.298 0.842 1.00 0.00 H ATOM 444 H ARG A 38 5.028 -12.699 1.675 1.00 0.00 H ATOM 445 N HIS A 39 8.161 -13.363 0.038 1.00 0.00 N ATOM 446 CA HIS A 39 9.367 -12.822 -0.508 1.00 0.00 C ATOM 447 C HIS A 39 9.286 -11.430 -1.032 1.00 0.00 C ATOM 448 O HIS A 39 9.972 -11.036 -1.974 1.00 0.00 O ATOM 449 CB HIS A 39 10.030 -13.765 -1.527 1.00 0.00 C ATOM 450 CG HIS A 39 10.745 -14.918 -0.888 1.00 0.00 C ATOM 451 ND1 HIS A 39 11.995 -15.251 -1.368 1.00 0.00 N ATOM 452 CD2 HIS A 39 10.411 -15.725 0.156 1.00 0.00 C ATOM 453 CE1 HIS A 39 12.406 -16.251 -0.611 1.00 0.00 C ATOM 454 NE2 HIS A 39 11.481 -16.578 0.333 1.00 0.00 N ATOM 455 HA HIS A 39 10.013 -12.744 0.367 1.00 0.00 H ATOM 456 HB2 HIS A 39 9.258 -14.159 -2.188 1.00 0.00 H ATOM 457 HB3 HIS A 39 10.750 -13.192 -2.112 1.00 0.00 H ATOM 458 HD2 HIS A 39 9.487 -15.702 0.734 1.00 0.00 H ATOM 459 HE1 HIS A 39 13.367 -16.753 -0.727 1.00 0.00 H ATOM 460 H HIS A 39 8.209 -13.749 1.003 1.00 0.00 H ATOM 461 N GLY A 40 8.449 -10.580 -0.411 1.00 0.00 N ATOM 462 CA GLY A 40 8.329 -9.204 -0.781 1.00 0.00 C ATOM 463 C GLY A 40 6.915 -8.747 -0.680 1.00 0.00 C ATOM 464 O GLY A 40 6.018 -9.223 -1.374 1.00 0.00 O ATOM 465 HA3 GLY A 40 8.672 -9.079 -1.808 1.00 0.00 H ATOM 466 HA2 GLY A 40 8.948 -8.600 -0.117 1.00 0.00 H ATOM 467 H GLY A 40 7.865 -10.938 0.371 1.00 0.00 H ATOM 468 N GLY A 41 6.684 -7.790 0.237 1.00 0.00 N ATOM 469 CA GLY A 41 5.396 -7.236 0.518 1.00 0.00 C ATOM 470 C GLY A 41 5.427 -6.679 1.900 1.00 0.00 C ATOM 471 O GLY A 41 6.014 -7.277 2.800 1.00 0.00 O ATOM 472 HA3 GLY A 41 4.635 -8.014 0.449 1.00 0.00 H ATOM 473 HA2 GLY A 41 5.170 -6.444 -0.196 1.00 0.00 H ATOM 474 H GLY A 41 7.496 -7.429 0.777 1.00 0.00 H ATOM 475 N ILE A 42 4.786 -5.516 2.113 1.00 0.00 N ATOM 476 CA ILE A 42 4.577 -4.970 3.418 1.00 0.00 C ATOM 477 C ILE A 42 3.125 -5.161 3.694 1.00 0.00 C ATOM 478 O ILE A 42 2.341 -5.372 2.770 1.00 0.00 O ATOM 479 CB ILE A 42 5.089 -3.570 3.589 1.00 0.00 C ATOM 480 CG1 ILE A 42 5.442 -3.257 5.053 1.00 0.00 C ATOM 481 CG2 ILE A 42 4.136 -2.463 3.105 1.00 0.00 C ATOM 482 CD1 ILE A 42 6.683 -3.981 5.574 1.00 0.00 C ATOM 483 HA ILE A 42 5.173 -5.488 4.169 1.00 0.00 H ATOM 484 HB ILE A 42 5.975 -3.558 2.955 1.00 0.00 H ATOM 485 HG12 ILE A 42 5.612 -2.184 5.141 1.00 0.00 H ATOM 486 HG13 ILE A 42 4.594 -3.542 5.676 1.00 0.00 H ATOM 487 HD11 ILE A 42 6.528 -5.058 5.508 1.00 0.00 H ATOM 488 HD12 ILE A 42 7.546 -3.699 4.972 1.00 0.00 H ATOM 489 HD13 ILE A 42 6.856 -3.701 6.613 1.00 0.00 H ATOM 490 HG21 ILE A 42 3.938 -2.595 2.041 1.00 0.00 H ATOM 491 HG22 ILE A 42 3.200 -2.523 3.660 1.00 0.00 H ATOM 492 HG23 ILE A 42 4.597 -1.490 3.272 1.00 0.00 H ATOM 493 H ILE A 42 4.426 -4.990 1.291 1.00 0.00 H ATOM 494 N TYR A 43 2.689 -5.203 4.965 1.00 0.00 N ATOM 495 CA TYR A 43 1.345 -5.572 5.288 1.00 0.00 C ATOM 496 C TYR A 43 0.878 -4.602 6.318 1.00 0.00 C ATOM 497 O TYR A 43 1.684 -3.987 7.015 1.00 0.00 O ATOM 498 CB TYR A 43 1.299 -6.977 5.911 1.00 0.00 C ATOM 499 CG TYR A 43 1.668 -8.075 4.973 1.00 0.00 C ATOM 500 CD1 TYR A 43 2.969 -8.300 4.586 1.00 0.00 C ATOM 501 CD2 TYR A 43 0.693 -8.939 4.535 1.00 0.00 C ATOM 502 CE1 TYR A 43 3.276 -9.325 3.723 1.00 0.00 C ATOM 503 CE2 TYR A 43 1.001 -10.010 3.730 1.00 0.00 C ATOM 504 CZ TYR A 43 2.298 -10.201 3.315 1.00 0.00 C ATOM 505 OH TYR A 43 2.638 -11.309 2.510 1.00 0.00 O ATOM 506 HA TYR A 43 0.729 -5.567 4.389 1.00 0.00 H ATOM 507 HB3 TYR A 43 0.286 -7.159 6.269 1.00 0.00 H ATOM 508 HB2 TYR A 43 1.990 -7.000 6.753 1.00 0.00 H ATOM 509 HD2 TYR A 43 -0.343 -8.772 4.831 1.00 0.00 H ATOM 510 HE2 TYR A 43 0.220 -10.705 3.422 1.00 0.00 H ATOM 511 HE1 TYR A 43 4.297 -9.444 3.361 1.00 0.00 H ATOM 512 HD1 TYR A 43 3.764 -7.659 4.967 1.00 0.00 H ATOM 513 HH TYR A 43 3.607 -11.285 2.310 1.00 0.00 H ATOM 514 H TYR A 43 3.346 -4.961 5.734 1.00 0.00 H ATOM 515 N VAL A 44 -0.442 -4.406 6.480 1.00 0.00 N ATOM 516 CA VAL A 44 -0.969 -3.520 7.471 1.00 0.00 C ATOM 517 C VAL A 44 -1.157 -4.202 8.783 1.00 0.00 C ATOM 518 O VAL A 44 -1.745 -5.280 8.852 1.00 0.00 O ATOM 519 CB VAL A 44 -2.305 -2.991 7.041 1.00 0.00 C ATOM 520 CG1 VAL A 44 -2.677 -1.818 7.963 1.00 0.00 C ATOM 521 CG2 VAL A 44 -2.270 -2.558 5.565 1.00 0.00 C ATOM 522 HA VAL A 44 -0.246 -2.712 7.582 1.00 0.00 H ATOM 523 HB VAL A 44 -3.062 -3.771 7.123 1.00 0.00 H ATOM 524 HG11 VAL A 44 -2.727 -2.169 8.994 1.00 0.00 H ATOM 525 HG12 VAL A 44 -1.920 -1.038 7.880 1.00 0.00 H ATOM 526 HG13 VAL A 44 -3.647 -1.418 7.667 1.00 0.00 H ATOM 527 HG21 VAL A 44 -1.522 -1.775 5.435 1.00 0.00 H ATOM 528 HG22 VAL A 44 -2.013 -3.415 4.942 1.00 0.00 H ATOM 529 HG23 VAL A 44 -3.250 -2.178 5.276 1.00 0.00 H ATOM 530 H VAL A 44 -1.104 -4.917 5.862 1.00 0.00 H ATOM 531 N LYS A 45 -0.686 -3.612 9.896 1.00 0.00 N ATOM 532 CA LYS A 45 -0.959 -4.089 11.216 1.00 0.00 C ATOM 533 C LYS A 45 -2.122 -3.370 11.809 1.00 0.00 C ATOM 534 O LYS A 45 -2.967 -3.954 12.485 1.00 0.00 O ATOM 535 CB LYS A 45 0.256 -3.917 12.142 1.00 0.00 C ATOM 536 CG LYS A 45 0.551 -5.060 13.114 1.00 0.00 C ATOM 537 CD LYS A 45 -0.463 -5.332 14.227 1.00 0.00 C ATOM 538 CE LYS A 45 -1.301 -6.593 13.998 1.00 0.00 C ATOM 539 NZ LYS A 45 -2.279 -6.813 15.086 1.00 0.00 N ATOM 540 HA LYS A 45 -1.189 -5.151 11.128 1.00 0.00 H ATOM 541 HB2 LYS A 45 1.135 -3.785 11.511 1.00 0.00 H ATOM 542 HB3 LYS A 45 0.095 -3.015 12.733 1.00 0.00 H ATOM 543 HG2 LYS A 45 0.640 -5.973 12.525 1.00 0.00 H ATOM 544 HG3 LYS A 45 1.507 -4.843 13.591 1.00 0.00 H ATOM 545 HD2 LYS A 45 0.078 -5.443 15.167 1.00 0.00 H ATOM 546 HD3 LYS A 45 -1.137 -4.478 14.296 1.00 0.00 H ATOM 547 HE2 LYS A 45 -0.635 -7.454 13.944 1.00 0.00 H ATOM 548 HE3 LYS A 45 -1.839 -6.492 13.056 1.00 0.00 H ATOM 549 HZ1 LYS A 45 -1.774 -6.918 15.989 1.00 0.00 H ATOM 550 HZ2 LYS A 45 -2.924 -5.999 15.141 1.00 0.00 H ATOM 551 HZ3 LYS A 45 -2.825 -7.677 14.891 1.00 0.00 H ATOM 552 H LYS A 45 -0.092 -2.765 9.791 1.00 0.00 H ATOM 553 N ALA A 46 -2.195 -2.043 11.603 1.00 0.00 N ATOM 554 CA ALA A 46 -3.195 -1.213 12.197 1.00 0.00 C ATOM 555 C ALA A 46 -3.608 -0.123 11.269 1.00 0.00 C ATOM 556 O ALA A 46 -2.780 0.510 10.616 1.00 0.00 O ATOM 557 CB ALA A 46 -2.690 -0.631 13.529 1.00 0.00 C ATOM 558 HA ALA A 46 -4.071 -1.830 12.399 1.00 0.00 H ATOM 559 HB1 ALA A 46 -2.453 -1.446 14.213 1.00 0.00 H ATOM 560 HB2 ALA A 46 -1.796 -0.035 13.348 1.00 0.00 H ATOM 561 HB3 ALA A 46 -3.465 -0.002 13.966 1.00 0.00 H ATOM 562 H ALA A 46 -1.489 -1.599 10.981 1.00 0.00 H ATOM 563 N ILE A 47 -4.931 0.104 11.187 1.00 0.00 N ATOM 564 CA ILE A 47 -5.585 1.118 10.418 1.00 0.00 C ATOM 565 C ILE A 47 -5.881 2.274 11.310 1.00 0.00 C ATOM 566 O ILE A 47 -6.325 2.105 12.445 1.00 0.00 O ATOM 567 CB ILE A 47 -6.868 0.612 9.828 1.00 0.00 C ATOM 568 CG1 ILE A 47 -6.665 -0.662 8.991 1.00 0.00 C ATOM 569 CG2 ILE A 47 -7.587 1.686 8.995 1.00 0.00 C ATOM 570 CD1 ILE A 47 -5.813 -0.436 7.743 1.00 0.00 C ATOM 571 HA ILE A 47 -4.928 1.415 9.601 1.00 0.00 H ATOM 572 HB ILE A 47 -7.504 0.358 10.676 1.00 0.00 H ATOM 573 HG12 ILE A 47 -6.175 -1.411 9.614 1.00 0.00 H ATOM 574 HG13 ILE A 47 -7.642 -1.032 8.681 1.00 0.00 H ATOM 575 HD11 ILE A 47 -6.296 0.304 7.104 1.00 0.00 H ATOM 576 HD12 ILE A 47 -4.827 -0.076 8.038 1.00 0.00 H ATOM 577 HD13 ILE A 47 -5.710 -1.375 7.200 1.00 0.00 H ATOM 578 HG21 ILE A 47 -7.819 2.541 9.630 1.00 0.00 H ATOM 579 HG22 ILE A 47 -6.940 2.004 8.178 1.00 0.00 H ATOM 580 HG23 ILE A 47 -8.510 1.272 8.589 1.00 0.00 H ATOM 581 H ILE A 47 -5.545 -0.525 11.742 1.00 0.00 H ATOM 582 N ILE A 48 -5.657 3.515 10.842 1.00 0.00 N ATOM 583 CA ILE A 48 -6.072 4.692 11.540 1.00 0.00 C ATOM 584 C ILE A 48 -7.535 4.907 11.359 1.00 0.00 C ATOM 585 O ILE A 48 -7.971 4.908 10.209 1.00 0.00 O ATOM 586 CB ILE A 48 -5.332 5.892 11.025 1.00 0.00 C ATOM 587 CG1 ILE A 48 -3.844 5.741 11.385 1.00 0.00 C ATOM 588 CG2 ILE A 48 -5.895 7.210 11.581 1.00 0.00 C ATOM 589 CD1 ILE A 48 -3.034 6.961 10.949 1.00 0.00 C ATOM 590 HA ILE A 48 -5.851 4.558 12.599 1.00 0.00 H ATOM 591 HB ILE A 48 -5.456 5.938 9.943 1.00 0.00 H ATOM 592 HG12 ILE A 48 -3.751 5.622 12.464 1.00 0.00 H ATOM 593 HG13 ILE A 48 -3.447 4.856 10.887 1.00 0.00 H ATOM 594 HD11 ILE A 48 -3.117 7.084 9.869 1.00 0.00 H ATOM 595 HD12 ILE A 48 -3.421 7.850 11.448 1.00 0.00 H ATOM 596 HD13 ILE A 48 -1.988 6.817 11.220 1.00 0.00 H ATOM 597 HG21 ILE A 48 -6.941 7.308 11.290 1.00 0.00 H ATOM 598 HG22 ILE A 48 -5.818 7.207 12.668 1.00 0.00 H ATOM 599 HG23 ILE A 48 -5.324 8.046 11.177 1.00 0.00 H ATOM 600 H ILE A 48 -5.161 3.623 9.934 1.00 0.00 H ATOM 601 N PRO A 49 -8.347 5.179 12.338 1.00 0.00 N ATOM 602 CA PRO A 49 -9.707 5.583 12.134 1.00 0.00 C ATOM 603 C PRO A 49 -9.806 6.942 11.531 1.00 0.00 C ATOM 604 O PRO A 49 -9.780 7.950 12.237 1.00 0.00 O ATOM 605 CB PRO A 49 -10.358 5.497 13.512 1.00 0.00 C ATOM 606 CG PRO A 49 -9.193 5.709 14.491 1.00 0.00 C ATOM 607 CD PRO A 49 -8.006 5.076 13.749 1.00 0.00 C ATOM 608 HA PRO A 49 -10.218 4.940 11.417 1.00 0.00 H ATOM 609 HD3 PRO A 49 -7.086 5.620 13.962 1.00 0.00 H ATOM 610 HD2 PRO A 49 -7.885 4.032 14.039 1.00 0.00 H ATOM 611 HG3 PRO A 49 -9.379 5.203 15.439 1.00 0.00 H ATOM 612 HG2 PRO A 49 -9.022 6.770 14.674 1.00 0.00 H ATOM 613 HB2 PRO A 49 -11.112 6.275 13.633 1.00 0.00 H ATOM 614 HB3 PRO A 49 -10.818 4.520 13.663 1.00 0.00 H ATOM 615 N LYS A 50 -9.906 6.978 10.189 1.00 0.00 N ATOM 616 CA LYS A 50 -10.125 8.118 9.354 1.00 0.00 C ATOM 617 C LYS A 50 -8.885 8.887 9.052 1.00 0.00 C ATOM 618 O LYS A 50 -8.829 10.109 9.180 1.00 0.00 O ATOM 619 CB LYS A 50 -11.282 9.038 9.782 1.00 0.00 C ATOM 620 CG LYS A 50 -12.622 8.343 10.033 1.00 0.00 C ATOM 621 CD LYS A 50 -13.356 7.943 8.751 1.00 0.00 C ATOM 622 CE LYS A 50 -14.632 7.131 8.984 1.00 0.00 C ATOM 623 NZ LYS A 50 -15.564 7.847 9.884 1.00 0.00 N ATOM 624 HA LYS A 50 -10.456 7.668 8.418 1.00 0.00 H ATOM 625 HB2 LYS A 50 -10.987 9.541 10.703 1.00 0.00 H ATOM 626 HB3 LYS A 50 -11.430 9.779 8.996 1.00 0.00 H ATOM 627 HG2 LYS A 50 -12.439 7.443 10.620 1.00 0.00 H ATOM 628 HG3 LYS A 50 -13.261 9.021 10.599 1.00 0.00 H ATOM 629 HD2 LYS A 50 -13.623 8.852 8.212 1.00 0.00 H ATOM 630 HD3 LYS A 50 -12.678 7.346 8.141 1.00 0.00 H ATOM 631 HE2 LYS A 50 -14.368 6.174 9.433 1.00 0.00 H ATOM 632 HE3 LYS A 50 -15.124 6.958 8.027 1.00 0.00 H ATOM 633 HZ1 LYS A 50 -15.102 8.010 10.801 1.00 0.00 H ATOM 634 HZ2 LYS A 50 -15.823 8.759 9.458 1.00 0.00 H ATOM 635 HZ3 LYS A 50 -16.420 7.272 10.023 1.00 0.00 H ATOM 636 H LYS A 50 -9.813 6.065 9.700 1.00 0.00 H ATOM 637 N GLY A 51 -7.853 8.192 8.542 1.00 0.00 N ATOM 638 CA GLY A 51 -6.867 8.773 7.684 1.00 0.00 C ATOM 639 C GLY A 51 -7.273 8.373 6.307 1.00 0.00 C ATOM 640 O GLY A 51 -8.256 7.660 6.112 1.00 0.00 O ATOM 641 HA3 GLY A 51 -5.876 8.385 7.920 1.00 0.00 H ATOM 642 HA2 GLY A 51 -6.864 9.858 7.783 1.00 0.00 H ATOM 643 H GLY A 51 -7.768 7.184 8.783 1.00 0.00 H ATOM 644 N ALA A 52 -6.485 8.784 5.297 1.00 0.00 N ATOM 645 CA ALA A 52 -6.720 8.565 3.903 1.00 0.00 C ATOM 646 C ALA A 52 -6.916 7.143 3.505 1.00 0.00 C ATOM 647 O ALA A 52 -7.790 6.804 2.708 1.00 0.00 O ATOM 648 CB ALA A 52 -5.490 9.150 3.189 1.00 0.00 C ATOM 649 HA ALA A 52 -7.661 9.041 3.628 1.00 0.00 H ATOM 650 HB1 ALA A 52 -5.409 10.212 3.420 1.00 0.00 H ATOM 651 HB2 ALA A 52 -4.593 8.633 3.530 1.00 0.00 H ATOM 652 HB3 ALA A 52 -5.599 9.018 2.113 1.00 0.00 H ATOM 653 H ALA A 52 -5.625 9.310 5.554 1.00 0.00 H ATOM 654 N ALA A 53 -6.135 6.237 4.120 1.00 0.00 N ATOM 655 CA ALA A 53 -6.181 4.816 3.974 1.00 0.00 C ATOM 656 C ALA A 53 -7.476 4.183 4.353 1.00 0.00 C ATOM 657 O ALA A 53 -8.111 3.482 3.567 1.00 0.00 O ATOM 658 CB ALA A 53 -5.037 4.237 4.824 1.00 0.00 C ATOM 659 HA ALA A 53 -6.072 4.591 2.913 1.00 0.00 H ATOM 660 HB1 ALA A 53 -4.085 4.630 4.466 1.00 0.00 H ATOM 661 HB2 ALA A 53 -5.180 4.522 5.866 1.00 0.00 H ATOM 662 HB3 ALA A 53 -5.037 3.150 4.740 1.00 0.00 H ATOM 663 H ALA A 53 -5.419 6.612 4.774 1.00 0.00 H ATOM 664 N GLU A 54 -7.975 4.442 5.575 1.00 0.00 N ATOM 665 CA GLU A 54 -9.263 4.013 6.024 1.00 0.00 C ATOM 666 C GLU A 54 -10.369 4.622 5.233 1.00 0.00 C ATOM 667 O GLU A 54 -11.460 4.075 5.076 1.00 0.00 O ATOM 668 CB GLU A 54 -9.437 4.390 7.505 1.00 0.00 C ATOM 669 CG GLU A 54 -10.793 4.121 8.161 1.00 0.00 C ATOM 670 CD GLU A 54 -11.269 2.679 8.251 1.00 0.00 C ATOM 671 OE1 GLU A 54 -11.094 1.884 7.289 1.00 0.00 O ATOM 672 OE2 GLU A 54 -11.907 2.327 9.279 1.00 0.00 O ATOM 673 HA GLU A 54 -9.314 2.932 5.890 1.00 0.00 H ATOM 674 HB2 GLU A 54 -8.688 3.836 8.071 1.00 0.00 H ATOM 675 HB3 GLU A 54 -9.241 5.459 7.593 1.00 0.00 H ATOM 676 HG2 GLU A 54 -10.745 4.511 9.178 1.00 0.00 H ATOM 677 HG3 GLU A 54 -11.542 4.675 7.596 1.00 0.00 H ATOM 678 H GLU A 54 -7.387 4.989 6.235 1.00 0.00 H ATOM 679 N SER A 55 -10.125 5.815 4.660 1.00 0.00 N ATOM 680 CA SER A 55 -11.074 6.425 3.782 1.00 0.00 C ATOM 681 C SER A 55 -11.237 5.752 2.463 1.00 0.00 C ATOM 682 O SER A 55 -12.270 5.901 1.810 1.00 0.00 O ATOM 683 CB SER A 55 -10.811 7.929 3.598 1.00 0.00 C ATOM 684 OG SER A 55 -12.013 8.626 3.298 1.00 0.00 O ATOM 685 HA SER A 55 -12.027 6.294 4.295 1.00 0.00 H ATOM 686 HB2 SER A 55 -10.104 8.070 2.780 1.00 0.00 H ATOM 687 HB3 SER A 55 -10.386 8.331 4.517 1.00 0.00 H ATOM 688 HG SER A 55 -12.401 8.267 2.461 1.00 0.00 H ATOM 689 H SER A 55 -9.228 6.303 4.860 1.00 0.00 H ATOM 690 N ASP A 56 -10.293 4.909 2.008 1.00 0.00 N ATOM 691 CA ASP A 56 -10.555 3.897 1.033 1.00 0.00 C ATOM 692 C ASP A 56 -11.387 2.850 1.691 1.00 0.00 C ATOM 693 O ASP A 56 -12.588 2.718 1.455 1.00 0.00 O ATOM 694 CB ASP A 56 -9.254 3.309 0.464 1.00 0.00 C ATOM 695 CG ASP A 56 -9.502 2.063 -0.376 1.00 0.00 C ATOM 696 OD1 ASP A 56 -10.166 2.176 -1.441 1.00 0.00 O ATOM 697 OD2 ASP A 56 -9.081 0.969 0.084 1.00 0.00 O ATOM 698 HA ASP A 56 -11.087 4.323 0.182 1.00 0.00 H ATOM 699 HB2 ASP A 56 -8.772 4.062 -0.159 1.00 0.00 H ATOM 700 HB3 ASP A 56 -8.595 3.048 1.292 1.00 0.00 H ATOM 701 H ASP A 56 -9.327 4.998 2.383 1.00 0.00 H ATOM 702 N GLY A 57 -10.758 2.081 2.597 1.00 0.00 N ATOM 703 CA GLY A 57 -11.457 1.305 3.573 1.00 0.00 C ATOM 704 C GLY A 57 -11.720 -0.107 3.177 1.00 0.00 C ATOM 705 O GLY A 57 -12.390 -0.843 3.901 1.00 0.00 O ATOM 706 HA3 GLY A 57 -12.415 1.787 3.767 1.00 0.00 H ATOM 707 HA2 GLY A 57 -10.864 1.296 4.488 1.00 0.00 H ATOM 708 H GLY A 57 -9.719 2.049 2.587 1.00 0.00 H ATOM 709 N ARG A 58 -11.192 -0.554 2.023 1.00 0.00 N ATOM 710 CA ARG A 58 -11.308 -1.911 1.589 1.00 0.00 C ATOM 711 C ARG A 58 -10.292 -2.758 2.277 1.00 0.00 C ATOM 712 O ARG A 58 -10.450 -3.965 2.451 1.00 0.00 O ATOM 713 CB ARG A 58 -11.259 -1.926 0.051 1.00 0.00 C ATOM 714 CG ARG A 58 -12.573 -1.410 -0.540 1.00 0.00 C ATOM 715 CD ARG A 58 -12.483 -0.615 -1.844 1.00 0.00 C ATOM 716 NE ARG A 58 -11.972 -1.471 -2.951 1.00 0.00 N ATOM 717 CZ ARG A 58 -12.691 -2.434 -3.597 1.00 0.00 C ATOM 718 NH1 ARG A 58 -13.969 -2.768 -3.253 1.00 0.00 N ATOM 719 NH2 ARG A 58 -12.123 -3.073 -4.660 1.00 0.00 N ATOM 720 HA ARG A 58 -12.262 -2.357 1.870 1.00 0.00 H ATOM 721 HB2 ARG A 58 -10.441 -1.290 -0.287 1.00 0.00 H ATOM 722 HB3 ARG A 58 -11.089 -2.947 -0.291 1.00 0.00 H ATOM 723 HG2 ARG A 58 -13.212 -2.273 -0.724 1.00 0.00 H ATOM 724 HG3 ARG A 58 -13.039 -0.767 0.206 1.00 0.00 H ATOM 725 HD2 ARG A 58 -11.807 0.228 -1.703 1.00 0.00 H ATOM 726 HD3 ARG A 58 -13.474 -0.245 -2.106 1.00 0.00 H ATOM 727 HE ARG A 58 -10.989 -1.323 -3.256 1.00 0.00 H ATOM 728 HH12 ARG A 58 -14.472 -3.511 -3.779 1.00 0.00 H ATOM 729 HH11 ARG A 58 -14.440 -2.280 -2.464 1.00 0.00 H ATOM 730 HH22 ARG A 58 -12.653 -3.810 -5.167 1.00 0.00 H ATOM 731 HH21 ARG A 58 -11.160 -2.823 -4.963 1.00 0.00 H ATOM 732 H ARG A 58 -10.676 0.118 1.420 1.00 0.00 H ATOM 733 N ILE A 59 -9.245 -2.109 2.816 1.00 0.00 N ATOM 734 CA ILE A 59 -8.341 -2.627 3.795 1.00 0.00 C ATOM 735 C ILE A 59 -8.977 -2.960 5.099 1.00 0.00 C ATOM 736 O ILE A 59 -9.912 -2.309 5.562 1.00 0.00 O ATOM 737 CB ILE A 59 -7.203 -1.695 4.092 1.00 0.00 C ATOM 738 CG1 ILE A 59 -7.405 -0.293 3.493 1.00 0.00 C ATOM 739 CG2 ILE A 59 -5.894 -2.357 3.630 1.00 0.00 C ATOM 740 CD1 ILE A 59 -6.321 0.687 3.937 1.00 0.00 C ATOM 741 HA ILE A 59 -7.978 -3.542 3.326 1.00 0.00 H ATOM 742 HB ILE A 59 -7.156 -1.525 5.168 1.00 0.00 H ATOM 743 HG12 ILE A 59 -7.385 -0.369 2.406 1.00 0.00 H ATOM 744 HG13 ILE A 59 -8.375 0.089 3.812 1.00 0.00 H ATOM 745 HD11 ILE A 59 -6.337 0.777 5.023 1.00 0.00 H ATOM 746 HD12 ILE A 59 -5.347 0.319 3.616 1.00 0.00 H ATOM 747 HD13 ILE A 59 -6.508 1.662 3.487 1.00 0.00 H ATOM 748 HG21 ILE A 59 -5.755 -3.296 4.165 1.00 0.00 H ATOM 749 HG22 ILE A 59 -5.945 -2.552 2.559 1.00 0.00 H ATOM 750 HG23 ILE A 59 -5.057 -1.690 3.840 1.00 0.00 H ATOM 751 H ILE A 59 -9.076 -1.136 2.489 1.00 0.00 H ATOM 752 N HIS A 60 -8.420 -3.974 5.787 1.00 0.00 N ATOM 753 CA HIS A 60 -8.530 -4.183 7.197 1.00 0.00 C ATOM 754 C HIS A 60 -7.158 -4.435 7.720 1.00 0.00 C ATOM 755 O HIS A 60 -6.154 -4.076 7.107 1.00 0.00 O ATOM 756 CB HIS A 60 -9.507 -5.322 7.536 1.00 0.00 C ATOM 757 CG HIS A 60 -9.124 -6.660 6.979 1.00 0.00 C ATOM 758 ND1 HIS A 60 -8.693 -7.669 7.817 1.00 0.00 N ATOM 759 CD2 HIS A 60 -9.077 -7.067 5.682 1.00 0.00 C ATOM 760 CE1 HIS A 60 -8.368 -8.665 7.014 1.00 0.00 C ATOM 761 NE2 HIS A 60 -8.583 -8.355 5.707 1.00 0.00 N ATOM 762 HA HIS A 60 -8.950 -3.299 7.677 1.00 0.00 H ATOM 763 HB2 HIS A 60 -9.565 -5.409 8.621 1.00 0.00 H ATOM 764 HB3 HIS A 60 -10.488 -5.057 7.141 1.00 0.00 H ATOM 765 HD2 HIS A 60 -9.370 -6.493 4.803 1.00 0.00 H ATOM 766 HE1 HIS A 60 -7.974 -9.622 7.357 1.00 0.00 H ATOM 767 H HIS A 60 -7.862 -4.665 5.246 1.00 0.00 H ATOM 768 N LYS A 61 -7.012 -5.028 8.919 1.00 0.00 N ATOM 769 CA LYS A 61 -5.746 -5.238 9.549 1.00 0.00 C ATOM 770 C LYS A 61 -5.117 -6.528 9.151 1.00 0.00 C ATOM 771 O LYS A 61 -4.603 -7.285 9.973 1.00 0.00 O ATOM 772 CB LYS A 61 -5.933 -5.214 11.076 1.00 0.00 C ATOM 773 CG LYS A 61 -6.520 -3.908 11.614 1.00 0.00 C ATOM 774 CD LYS A 61 -6.673 -3.909 13.137 1.00 0.00 C ATOM 775 CE LYS A 61 -7.628 -4.984 13.657 1.00 0.00 C ATOM 776 NZ LYS A 61 -7.936 -4.798 15.092 1.00 0.00 N ATOM 777 HA LYS A 61 -5.081 -4.438 9.225 1.00 0.00 H ATOM 778 HB2 LYS A 61 -6.602 -6.029 11.352 1.00 0.00 H ATOM 779 HB3 LYS A 61 -4.960 -5.370 11.543 1.00 0.00 H ATOM 780 HG2 LYS A 61 -5.861 -3.087 11.330 1.00 0.00 H ATOM 781 HG3 LYS A 61 -7.502 -3.756 11.165 1.00 0.00 H ATOM 782 HD2 LYS A 61 -5.692 -4.075 13.582 1.00 0.00 H ATOM 783 HD3 LYS A 61 -7.050 -2.934 13.446 1.00 0.00 H ATOM 784 HE2 LYS A 61 -7.168 -5.962 13.519 1.00 0.00 H ATOM 785 HE3 LYS A 61 -8.556 -4.937 13.088 1.00 0.00 H ATOM 786 HZ1 LYS A 61 -7.056 -4.848 15.644 1.00 0.00 H ATOM 787 HZ2 LYS A 61 -8.382 -3.869 15.232 1.00 0.00 H ATOM 788 HZ3 LYS A 61 -8.586 -5.547 15.406 1.00 0.00 H ATOM 789 H LYS A 61 -7.867 -5.351 9.415 1.00 0.00 H ATOM 790 N GLY A 62 -5.125 -6.841 7.843 1.00 0.00 N ATOM 791 CA GLY A 62 -4.701 -8.109 7.336 1.00 0.00 C ATOM 792 C GLY A 62 -4.073 -8.064 5.986 1.00 0.00 C ATOM 793 O GLY A 62 -3.389 -9.006 5.590 1.00 0.00 O ATOM 794 HA3 GLY A 62 -5.572 -8.762 7.283 1.00 0.00 H ATOM 795 HA2 GLY A 62 -3.976 -8.528 8.034 1.00 0.00 H ATOM 796 H GLY A 62 -5.456 -6.124 7.166 1.00 0.00 H ATOM 797 N ASP A 63 -4.310 -7.001 5.197 1.00 0.00 N ATOM 798 CA ASP A 63 -3.993 -6.991 3.802 1.00 0.00 C ATOM 799 C ASP A 63 -2.560 -6.759 3.466 1.00 0.00 C ATOM 800 O ASP A 63 -1.753 -6.274 4.257 1.00 0.00 O ATOM 801 CB ASP A 63 -4.875 -5.949 3.091 1.00 0.00 C ATOM 802 CG ASP A 63 -6.331 -6.287 3.377 1.00 0.00 C ATOM 803 OD1 ASP A 63 -6.868 -7.291 2.838 1.00 0.00 O ATOM 804 OD2 ASP A 63 -6.934 -5.550 4.202 1.00 0.00 O ATOM 805 HA ASP A 63 -4.198 -8.002 3.450 1.00 0.00 H ATOM 806 HB2 ASP A 63 -4.646 -4.952 3.468 1.00 0.00 H ATOM 807 HB3 ASP A 63 -4.692 -5.981 2.017 1.00 0.00 H ATOM 808 H ASP A 63 -4.741 -6.153 5.618 1.00 0.00 H ATOM 809 N ARG A 64 -2.208 -7.141 2.226 1.00 0.00 N ATOM 810 CA ARG A 64 -0.878 -7.141 1.700 1.00 0.00 C ATOM 811 C ARG A 64 -0.686 -5.991 0.773 1.00 0.00 C ATOM 812 O ARG A 64 -1.396 -5.859 -0.223 1.00 0.00 O ATOM 813 CB ARG A 64 -0.665 -8.439 0.903 1.00 0.00 C ATOM 814 CG ARG A 64 0.697 -8.573 0.218 1.00 0.00 C ATOM 815 CD ARG A 64 0.756 -9.761 -0.744 1.00 0.00 C ATOM 816 NE ARG A 64 2.125 -9.744 -1.332 1.00 0.00 N ATOM 817 CZ ARG A 64 2.503 -10.565 -2.355 1.00 0.00 C ATOM 818 NH1 ARG A 64 1.610 -11.346 -3.031 1.00 0.00 N ATOM 819 NH2 ARG A 64 3.826 -10.626 -2.687 1.00 0.00 N ATOM 820 HA ARG A 64 -0.170 -7.064 2.525 1.00 0.00 H ATOM 821 HB2 ARG A 64 -0.781 -9.278 1.589 1.00 0.00 H ATOM 822 HB3 ARG A 64 -1.435 -8.492 0.134 1.00 0.00 H ATOM 823 HG2 ARG A 64 0.898 -7.660 -0.342 1.00 0.00 H ATOM 824 HG3 ARG A 64 1.462 -8.705 0.983 1.00 0.00 H ATOM 825 HD2 ARG A 64 0.006 -9.653 -1.527 1.00 0.00 H ATOM 826 HD3 ARG A 64 0.586 -10.694 -0.206 1.00 0.00 H ATOM 827 HE ARG A 64 2.823 -9.077 -0.946 1.00 0.00 H ATOM 828 HH12 ARG A 64 1.937 -11.959 -3.805 1.00 0.00 H ATOM 829 HH11 ARG A 64 0.603 -11.328 -2.772 1.00 0.00 H ATOM 830 HH22 ARG A 64 4.140 -11.244 -3.463 1.00 0.00 H ATOM 831 HH21 ARG A 64 4.520 -10.055 -2.164 1.00 0.00 H ATOM 832 H ARG A 64 -2.969 -7.464 1.595 1.00 0.00 H ATOM 833 N VAL A 65 0.324 -5.133 1.004 1.00 0.00 N ATOM 834 CA VAL A 65 0.779 -4.163 0.057 1.00 0.00 C ATOM 835 C VAL A 65 1.796 -4.830 -0.805 1.00 0.00 C ATOM 836 O VAL A 65 2.829 -5.279 -0.314 1.00 0.00 O ATOM 837 CB VAL A 65 1.401 -2.946 0.675 1.00 0.00 C ATOM 838 CG1 VAL A 65 1.333 -1.783 -0.328 1.00 0.00 C ATOM 839 CG2 VAL A 65 0.752 -2.558 2.014 1.00 0.00 C ATOM 840 HA VAL A 65 -0.091 -3.812 -0.497 1.00 0.00 H ATOM 841 HB VAL A 65 2.441 -3.179 0.904 1.00 0.00 H ATOM 842 HG11 VAL A 65 1.876 -2.054 -1.234 1.00 0.00 H ATOM 843 HG12 VAL A 65 0.291 -1.578 -0.575 1.00 0.00 H ATOM 844 HG13 VAL A 65 1.784 -0.895 0.116 1.00 0.00 H ATOM 845 HG21 VAL A 65 -0.306 -2.348 1.856 1.00 0.00 H ATOM 846 HG22 VAL A 65 0.859 -3.382 2.720 1.00 0.00 H ATOM 847 HG23 VAL A 65 1.245 -1.671 2.412 1.00 0.00 H ATOM 848 H VAL A 65 0.802 -5.178 1.926 1.00 0.00 H ATOM 849 N LEU A 66 1.568 -4.966 -2.123 1.00 0.00 N ATOM 850 CA LEU A 66 2.536 -5.515 -3.022 1.00 0.00 C ATOM 851 C LEU A 66 3.293 -4.468 -3.763 1.00 0.00 C ATOM 852 O LEU A 66 4.488 -4.627 -4.008 1.00 0.00 O ATOM 853 CB LEU A 66 1.966 -6.560 -3.996 1.00 0.00 C ATOM 854 CG LEU A 66 0.707 -6.184 -4.795 1.00 0.00 C ATOM 855 CD1 LEU A 66 0.709 -6.898 -6.157 1.00 0.00 C ATOM 856 CD2 LEU A 66 -0.559 -6.589 -4.021 1.00 0.00 C ATOM 857 HA LEU A 66 3.234 -6.042 -2.372 1.00 0.00 H ATOM 858 HB2 LEU A 66 2.750 -6.796 -4.716 1.00 0.00 H ATOM 859 HB3 LEU A 66 1.728 -7.451 -3.415 1.00 0.00 H ATOM 860 HG LEU A 66 0.710 -5.105 -4.947 1.00 0.00 H ATOM 861 HD21 LEU A 66 -0.552 -7.666 -3.854 1.00 0.00 H ATOM 862 HD22 LEU A 66 -0.578 -6.071 -3.062 1.00 0.00 H ATOM 863 HD23 LEU A 66 -1.441 -6.316 -4.601 1.00 0.00 H ATOM 864 HD11 LEU A 66 1.593 -6.599 -6.721 1.00 0.00 H ATOM 865 HD12 LEU A 66 0.724 -7.977 -6.000 1.00 0.00 H ATOM 866 HD13 LEU A 66 -0.188 -6.622 -6.712 1.00 0.00 H ATOM 867 H LEU A 66 0.650 -4.660 -2.505 1.00 0.00 H ATOM 868 N ALA A 67 2.655 -3.348 -4.144 1.00 0.00 N ATOM 869 CA ALA A 67 3.365 -2.343 -4.875 1.00 0.00 C ATOM 870 C ALA A 67 2.832 -0.982 -4.586 1.00 0.00 C ATOM 871 O ALA A 67 1.681 -0.820 -4.183 1.00 0.00 O ATOM 872 CB ALA A 67 3.324 -2.627 -6.385 1.00 0.00 C ATOM 873 HA ALA A 67 4.404 -2.374 -4.547 1.00 0.00 H ATOM 874 HB1 ALA A 67 3.784 -3.595 -6.584 1.00 0.00 H ATOM 875 HB2 ALA A 67 2.288 -2.639 -6.723 1.00 0.00 H ATOM 876 HB3 ALA A 67 3.871 -1.847 -6.915 1.00 0.00 H ATOM 877 H ALA A 67 1.651 -3.212 -3.909 1.00 0.00 H ATOM 878 N VAL A 68 3.666 0.062 -4.743 1.00 0.00 N ATOM 879 CA VAL A 68 3.303 1.409 -4.427 1.00 0.00 C ATOM 880 C VAL A 68 3.727 2.349 -5.502 1.00 0.00 C ATOM 881 O VAL A 68 4.915 2.409 -5.820 1.00 0.00 O ATOM 882 CB VAL A 68 3.898 1.860 -3.126 1.00 0.00 C ATOM 883 CG1 VAL A 68 3.473 3.306 -2.814 1.00 0.00 C ATOM 884 CG2 VAL A 68 3.433 0.912 -2.008 1.00 0.00 C ATOM 885 HA VAL A 68 2.217 1.421 -4.340 1.00 0.00 H ATOM 886 HB VAL A 68 4.985 1.835 -3.196 1.00 0.00 H ATOM 887 HG11 VAL A 68 3.819 3.965 -3.610 1.00 0.00 H ATOM 888 HG12 VAL A 68 2.386 3.357 -2.745 1.00 0.00 H ATOM 889 HG13 VAL A 68 3.914 3.617 -1.867 1.00 0.00 H ATOM 890 HG21 VAL A 68 2.345 0.935 -1.943 1.00 0.00 H ATOM 891 HG22 VAL A 68 3.764 -0.102 -2.232 1.00 0.00 H ATOM 892 HG23 VAL A 68 3.862 1.234 -1.059 1.00 0.00 H ATOM 893 H VAL A 68 4.621 -0.119 -5.112 1.00 0.00 H ATOM 894 N ASN A 69 2.811 3.105 -6.130 1.00 0.00 N ATOM 895 CA ASN A 69 3.096 4.008 -7.202 1.00 0.00 C ATOM 896 C ASN A 69 3.610 3.330 -8.426 1.00 0.00 C ATOM 897 O ASN A 69 4.266 3.920 -9.284 1.00 0.00 O ATOM 898 CB ASN A 69 3.998 5.147 -6.699 1.00 0.00 C ATOM 899 CG ASN A 69 3.836 6.448 -7.473 1.00 0.00 C ATOM 900 OD1 ASN A 69 2.910 6.638 -8.259 1.00 0.00 O ATOM 901 ND2 ASN A 69 4.773 7.400 -7.215 1.00 0.00 N ATOM 902 HA ASN A 69 2.156 4.451 -7.530 1.00 0.00 H ATOM 903 HB2 ASN A 69 3.760 5.338 -5.653 1.00 0.00 H ATOM 904 HB3 ASN A 69 5.036 4.825 -6.781 1.00 0.00 H ATOM 905 HD22 ASN A 69 5.543 7.204 -6.544 1.00 0.00 H ATOM 906 HD21 ASN A 69 4.720 8.324 -7.689 1.00 0.00 H ATOM 907 H ASN A 69 1.823 3.028 -5.814 1.00 0.00 H ATOM 908 N GLY A 70 3.334 2.020 -8.554 1.00 0.00 N ATOM 909 CA GLY A 70 3.891 1.160 -9.551 1.00 0.00 C ATOM 910 C GLY A 70 5.250 0.652 -9.206 1.00 0.00 C ATOM 911 O GLY A 70 6.008 0.237 -10.081 1.00 0.00 O ATOM 912 HA3 GLY A 70 3.957 1.714 -10.487 1.00 0.00 H ATOM 913 HA2 GLY A 70 3.226 0.306 -9.681 1.00 0.00 H ATOM 914 H GLY A 70 2.665 1.601 -7.877 1.00 0.00 H ATOM 915 N VAL A 71 5.626 0.674 -7.915 1.00 0.00 N ATOM 916 CA VAL A 71 6.920 0.289 -7.445 1.00 0.00 C ATOM 917 C VAL A 71 6.746 -0.847 -6.497 1.00 0.00 C ATOM 918 O VAL A 71 6.204 -0.710 -5.401 1.00 0.00 O ATOM 919 CB VAL A 71 7.720 1.370 -6.781 1.00 0.00 C ATOM 920 CG1 VAL A 71 9.154 0.879 -6.521 1.00 0.00 C ATOM 921 CG2 VAL A 71 7.758 2.612 -7.687 1.00 0.00 C ATOM 922 HA VAL A 71 7.496 0.021 -8.330 1.00 0.00 H ATOM 923 HB VAL A 71 7.253 1.626 -5.830 1.00 0.00 H ATOM 924 HG11 VAL A 71 9.125 0.004 -5.872 1.00 0.00 H ATOM 925 HG12 VAL A 71 9.624 0.615 -7.469 1.00 0.00 H ATOM 926 HG13 VAL A 71 9.726 1.672 -6.039 1.00 0.00 H ATOM 927 HG21 VAL A 71 8.220 2.351 -8.639 1.00 0.00 H ATOM 928 HG22 VAL A 71 6.741 2.966 -7.859 1.00 0.00 H ATOM 929 HG23 VAL A 71 8.340 3.396 -7.202 1.00 0.00 H ATOM 930 H VAL A 71 4.929 0.992 -7.212 1.00 0.00 H ATOM 931 N SER A 72 7.191 -2.047 -6.912 1.00 0.00 N ATOM 932 CA SER A 72 7.148 -3.270 -6.172 1.00 0.00 C ATOM 933 C SER A 72 7.856 -3.226 -4.863 1.00 0.00 C ATOM 934 O SER A 72 8.961 -2.697 -4.752 1.00 0.00 O ATOM 935 CB SER A 72 7.839 -4.413 -6.937 1.00 0.00 C ATOM 936 OG SER A 72 7.334 -4.560 -8.256 1.00 0.00 O ATOM 937 HA SER A 72 6.080 -3.429 -6.021 1.00 0.00 H ATOM 938 HB2 SER A 72 7.680 -5.345 -6.394 1.00 0.00 H ATOM 939 HB3 SER A 72 8.907 -4.203 -6.991 1.00 0.00 H ATOM 940 HG SER A 72 7.806 -5.304 -8.708 1.00 0.00 H ATOM 941 H SER A 72 7.607 -2.089 -7.864 1.00 0.00 H ATOM 942 N LEU A 73 7.299 -3.866 -3.819 1.00 0.00 N ATOM 943 CA LEU A 73 7.952 -4.078 -2.564 1.00 0.00 C ATOM 944 C LEU A 73 8.879 -5.244 -2.610 1.00 0.00 C ATOM 945 O LEU A 73 8.928 -6.102 -1.731 1.00 0.00 O ATOM 946 CB LEU A 73 6.879 -4.224 -1.472 1.00 0.00 C ATOM 947 CG LEU A 73 6.407 -2.871 -0.915 1.00 0.00 C ATOM 948 CD1 LEU A 73 4.935 -2.922 -0.474 1.00 0.00 C ATOM 949 CD2 LEU A 73 7.263 -2.437 0.288 1.00 0.00 C ATOM 950 HA LEU A 73 8.580 -3.218 -2.330 1.00 0.00 H ATOM 951 HB2 LEU A 73 6.020 -4.745 -1.895 1.00 0.00 H ATOM 952 HB3 LEU A 73 7.293 -4.813 -0.653 1.00 0.00 H ATOM 953 HG LEU A 73 6.515 -2.148 -1.724 1.00 0.00 H ATOM 954 HD21 LEU A 73 7.185 -3.185 1.077 1.00 0.00 H ATOM 955 HD22 LEU A 73 8.303 -2.342 -0.023 1.00 0.00 H ATOM 956 HD23 LEU A 73 6.905 -1.477 0.660 1.00 0.00 H ATOM 957 HD11 LEU A 73 4.310 -3.180 -1.329 1.00 0.00 H ATOM 958 HD12 LEU A 73 4.816 -3.675 0.305 1.00 0.00 H ATOM 959 HD13 LEU A 73 4.639 -1.947 -0.086 1.00 0.00 H ATOM 960 H LEU A 73 6.331 -4.230 -3.932 1.00 0.00 H ATOM 961 N GLU A 74 9.714 -5.294 -3.663 1.00 0.00 N ATOM 962 CA GLU A 74 10.654 -6.334 -3.947 1.00 0.00 C ATOM 963 C GLU A 74 11.892 -6.124 -3.147 1.00 0.00 C ATOM 964 O GLU A 74 12.563 -5.097 -3.251 1.00 0.00 O ATOM 965 CB GLU A 74 10.983 -6.361 -5.450 1.00 0.00 C ATOM 966 CG GLU A 74 11.871 -7.531 -5.876 1.00 0.00 C ATOM 967 CD GLU A 74 12.168 -7.543 -7.368 1.00 0.00 C ATOM 968 OE1 GLU A 74 11.783 -6.587 -8.092 1.00 0.00 O ATOM 969 OE2 GLU A 74 12.802 -8.532 -7.824 1.00 0.00 O ATOM 970 HA GLU A 74 10.216 -7.294 -3.675 1.00 0.00 H ATOM 971 HB2 GLU A 74 10.046 -6.423 -6.004 1.00 0.00 H ATOM 972 HB3 GLU A 74 11.494 -5.433 -5.705 1.00 0.00 H ATOM 973 HG2 GLU A 74 12.815 -7.465 -5.335 1.00 0.00 H ATOM 974 HG3 GLU A 74 11.368 -8.462 -5.615 1.00 0.00 H ATOM 975 H GLU A 74 9.672 -4.501 -4.335 1.00 0.00 H ATOM 976 N GLY A 75 12.209 -7.072 -2.247 1.00 0.00 N ATOM 977 CA GLY A 75 13.305 -6.955 -1.336 1.00 0.00 C ATOM 978 C GLY A 75 13.106 -5.959 -0.246 1.00 0.00 C ATOM 979 O GLY A 75 14.051 -5.612 0.462 1.00 0.00 O ATOM 980 HA3 GLY A 75 14.189 -6.665 -1.904 1.00 0.00 H ATOM 981 HA2 GLY A 75 13.472 -7.930 -0.879 1.00 0.00 H ATOM 982 H GLY A 75 11.628 -7.934 -2.212 1.00 0.00 H ATOM 983 N ALA A 76 11.874 -5.453 -0.061 1.00 0.00 N ATOM 984 CA ALA A 76 11.588 -4.428 0.895 1.00 0.00 C ATOM 985 C ALA A 76 11.172 -4.976 2.216 1.00 0.00 C ATOM 986 O ALA A 76 10.359 -5.890 2.347 1.00 0.00 O ATOM 987 CB ALA A 76 10.567 -3.414 0.349 1.00 0.00 C ATOM 988 HA ALA A 76 12.522 -3.893 1.066 1.00 0.00 H ATOM 989 HB1 ALA A 76 10.967 -2.945 -0.550 1.00 0.00 H ATOM 990 HB2 ALA A 76 9.638 -3.930 0.108 1.00 0.00 H ATOM 991 HB3 ALA A 76 10.375 -2.651 1.104 1.00 0.00 H ATOM 992 H ALA A 76 11.093 -5.824 -0.639 1.00 0.00 H ATOM 993 N THR A 77 11.784 -4.426 3.280 1.00 0.00 N ATOM 994 CA THR A 77 11.678 -4.811 4.653 1.00 0.00 C ATOM 995 C THR A 77 10.934 -3.707 5.320 1.00 0.00 C ATOM 996 O THR A 77 10.322 -2.884 4.641 1.00 0.00 O ATOM 997 CB THR A 77 13.031 -5.110 5.229 1.00 0.00 C ATOM 998 OG1 THR A 77 13.091 -5.217 6.643 1.00 0.00 O ATOM 999 CG2 THR A 77 14.097 -4.101 4.766 1.00 0.00 C ATOM 1000 HA THR A 77 11.131 -5.742 4.800 1.00 0.00 H ATOM 1001 HB THR A 77 13.243 -6.103 4.832 1.00 0.00 H ATOM 1002 HG1 THR A 77 14.021 -5.414 6.919 1.00 0.00 H ATOM 1003 HG23 THR A 77 14.062 -4.009 3.680 1.00 0.00 H ATOM 1004 HG21 THR A 77 13.898 -3.130 5.221 1.00 0.00 H ATOM 1005 HG22 THR A 77 15.083 -4.451 5.070 1.00 0.00 H ATOM 1006 H THR A 77 12.412 -3.621 3.079 1.00 0.00 H ATOM 1007 N HIS A 78 10.921 -3.602 6.661 1.00 0.00 N ATOM 1008 CA HIS A 78 10.225 -2.595 7.402 1.00 0.00 C ATOM 1009 C HIS A 78 10.646 -1.212 7.040 1.00 0.00 C ATOM 1010 O HIS A 78 9.813 -0.365 6.720 1.00 0.00 O ATOM 1011 CB HIS A 78 10.369 -2.814 8.918 1.00 0.00 C ATOM 1012 CG HIS A 78 10.065 -1.629 9.787 1.00 0.00 C ATOM 1013 ND1 HIS A 78 11.015 -1.026 10.568 1.00 0.00 N ATOM 1014 CD2 HIS A 78 8.941 -0.872 9.890 1.00 0.00 C ATOM 1015 CE1 HIS A 78 10.501 0.055 11.122 1.00 0.00 C ATOM 1016 NE2 HIS A 78 9.245 0.166 10.731 1.00 0.00 N ATOM 1017 HA HIS A 78 9.175 -2.695 7.128 1.00 0.00 H ATOM 1018 HB2 HIS A 78 9.693 -3.620 9.204 1.00 0.00 H ATOM 1019 HB3 HIS A 78 11.397 -3.117 9.115 1.00 0.00 H ATOM 1020 HD2 HIS A 78 7.985 -1.055 9.400 1.00 0.00 H ATOM 1021 HE1 HIS A 78 11.024 0.740 11.789 1.00 0.00 H ATOM 1022 H HIS A 78 11.459 -4.309 7.202 1.00 0.00 H ATOM 1023 N LYS A 79 11.961 -0.934 7.067 1.00 0.00 N ATOM 1024 CA LYS A 79 12.510 0.368 6.850 1.00 0.00 C ATOM 1025 C LYS A 79 12.385 0.813 5.433 1.00 0.00 C ATOM 1026 O LYS A 79 11.958 1.931 5.152 1.00 0.00 O ATOM 1027 CB LYS A 79 13.975 0.351 7.316 1.00 0.00 C ATOM 1028 CG LYS A 79 14.712 1.692 7.299 1.00 0.00 C ATOM 1029 CD LYS A 79 16.110 1.550 7.902 1.00 0.00 C ATOM 1030 CE LYS A 79 17.034 2.753 7.702 1.00 0.00 C ATOM 1031 NZ LYS A 79 16.408 3.991 8.220 1.00 0.00 N ATOM 1032 HA LYS A 79 11.943 1.097 7.430 1.00 0.00 H ATOM 1033 HB2 LYS A 79 13.993 -0.024 8.339 1.00 0.00 H ATOM 1034 HB3 LYS A 79 14.521 -0.336 6.669 1.00 0.00 H ATOM 1035 HG2 LYS A 79 14.800 2.039 6.269 1.00 0.00 H ATOM 1036 HG3 LYS A 79 14.144 2.420 7.879 1.00 0.00 H ATOM 1037 HD2 LYS A 79 16.000 1.384 8.974 1.00 0.00 H ATOM 1038 HD3 LYS A 79 16.586 0.681 7.448 1.00 0.00 H ATOM 1039 HE2 LYS A 79 17.238 2.874 6.638 1.00 0.00 H ATOM 1040 HE3 LYS A 79 17.970 2.577 8.232 1.00 0.00 H ATOM 1041 HZ1 LYS A 79 15.516 4.165 7.714 1.00 0.00 H ATOM 1042 HZ2 LYS A 79 16.215 3.882 9.236 1.00 0.00 H ATOM 1043 HZ3 LYS A 79 17.054 4.793 8.073 1.00 0.00 H ATOM 1044 H LYS A 79 12.620 -1.715 7.258 1.00 0.00 H ATOM 1045 N GLN A 80 12.698 -0.086 4.483 1.00 0.00 N ATOM 1046 CA GLN A 80 12.523 0.110 3.077 1.00 0.00 C ATOM 1047 C GLN A 80 11.101 0.272 2.665 1.00 0.00 C ATOM 1048 O GLN A 80 10.786 1.102 1.814 1.00 0.00 O ATOM 1049 CB GLN A 80 13.192 -1.031 2.292 1.00 0.00 C ATOM 1050 CG GLN A 80 14.088 -0.567 1.142 1.00 0.00 C ATOM 1051 CD GLN A 80 13.354 0.220 0.064 1.00 0.00 C ATOM 1052 OE1 GLN A 80 13.345 1.449 0.053 1.00 0.00 O ATOM 1053 NE2 GLN A 80 12.725 -0.512 -0.893 1.00 0.00 N ATOM 1054 HA GLN A 80 13.011 1.055 2.837 1.00 0.00 H ATOM 1055 HB2 GLN A 80 13.800 -1.611 2.986 1.00 0.00 H ATOM 1056 HB3 GLN A 80 12.408 -1.666 1.879 1.00 0.00 H ATOM 1057 HG2 GLN A 80 14.874 0.066 1.553 1.00 0.00 H ATOM 1058 HG3 GLN A 80 14.536 -1.447 0.680 1.00 0.00 H ATOM 1059 HE22 GLN A 80 12.752 -1.551 -0.854 1.00 0.00 H ATOM 1060 HE21 GLN A 80 12.217 -0.033 -1.664 1.00 0.00 H ATOM 1061 H GLN A 80 13.098 -0.994 4.795 1.00 0.00 H ATOM 1062 N ALA A 81 10.144 -0.471 3.251 1.00 0.00 N ATOM 1063 CA ALA A 81 8.754 -0.285 2.971 1.00 0.00 C ATOM 1064 C ALA A 81 8.225 1.054 3.354 1.00 0.00 C ATOM 1065 O ALA A 81 7.459 1.646 2.594 1.00 0.00 O ATOM 1066 CB ALA A 81 7.901 -1.342 3.692 1.00 0.00 C ATOM 1067 HA ALA A 81 8.681 -0.381 1.888 1.00 0.00 H ATOM 1068 HB1 ALA A 81 8.196 -2.336 3.356 1.00 0.00 H ATOM 1069 HB2 ALA A 81 8.056 -1.260 4.768 1.00 0.00 H ATOM 1070 HB3 ALA A 81 6.849 -1.177 3.461 1.00 0.00 H ATOM 1071 H ALA A 81 10.425 -1.206 3.931 1.00 0.00 H ATOM 1072 N VAL A 82 8.643 1.593 4.513 1.00 0.00 N ATOM 1073 CA VAL A 82 8.333 2.936 4.896 1.00 0.00 C ATOM 1074 C VAL A 82 8.841 3.894 3.874 1.00 0.00 C ATOM 1075 O VAL A 82 8.056 4.665 3.322 1.00 0.00 O ATOM 1076 CB VAL A 82 8.848 3.353 6.241 1.00 0.00 C ATOM 1077 CG1 VAL A 82 8.582 4.841 6.525 1.00 0.00 C ATOM 1078 CG2 VAL A 82 8.167 2.501 7.326 1.00 0.00 C ATOM 1079 HA VAL A 82 7.245 2.957 4.964 1.00 0.00 H ATOM 1080 HB VAL A 82 9.927 3.200 6.249 1.00 0.00 H ATOM 1081 HG11 VAL A 82 9.077 5.448 5.767 1.00 0.00 H ATOM 1082 HG12 VAL A 82 7.509 5.028 6.498 1.00 0.00 H ATOM 1083 HG13 VAL A 82 8.972 5.097 7.510 1.00 0.00 H ATOM 1084 HG21 VAL A 82 7.089 2.653 7.282 1.00 0.00 H ATOM 1085 HG22 VAL A 82 8.394 1.449 7.156 1.00 0.00 H ATOM 1086 HG23 VAL A 82 8.538 2.800 8.307 1.00 0.00 H ATOM 1087 H VAL A 82 9.215 1.010 5.157 1.00 0.00 H ATOM 1088 N GLU A 83 10.138 3.861 3.519 1.00 0.00 N ATOM 1089 CA GLU A 83 10.756 4.666 2.513 1.00 0.00 C ATOM 1090 C GLU A 83 10.070 4.672 1.190 1.00 0.00 C ATOM 1091 O GLU A 83 9.946 5.700 0.526 1.00 0.00 O ATOM 1092 CB GLU A 83 12.211 4.177 2.416 1.00 0.00 C ATOM 1093 CG GLU A 83 13.214 5.263 2.025 1.00 0.00 C ATOM 1094 CD GLU A 83 14.643 4.857 2.360 1.00 0.00 C ATOM 1095 OE1 GLU A 83 14.959 4.733 3.574 1.00 0.00 O ATOM 1096 OE2 GLU A 83 15.476 4.681 1.433 1.00 0.00 O ATOM 1097 HA GLU A 83 10.692 5.713 2.808 1.00 0.00 H ATOM 1098 HB2 GLU A 83 12.502 3.776 3.387 1.00 0.00 H ATOM 1099 HB3 GLU A 83 12.256 3.385 1.669 1.00 0.00 H ATOM 1100 HG2 GLU A 83 13.140 5.443 0.953 1.00 0.00 H ATOM 1101 HG3 GLU A 83 12.971 6.179 2.564 1.00 0.00 H ATOM 1102 H GLU A 83 10.748 3.187 4.024 1.00 0.00 H ATOM 1103 N THR A 84 9.523 3.512 0.786 1.00 0.00 N ATOM 1104 CA THR A 84 8.783 3.265 -0.413 1.00 0.00 C ATOM 1105 C THR A 84 7.418 3.863 -0.414 1.00 0.00 C ATOM 1106 O THR A 84 6.942 4.287 -1.467 1.00 0.00 O ATOM 1107 CB THR A 84 8.785 1.800 -0.732 1.00 0.00 C ATOM 1108 OG1 THR A 84 10.124 1.338 -0.841 1.00 0.00 O ATOM 1109 CG2 THR A 84 8.149 1.416 -2.079 1.00 0.00 C ATOM 1110 HA THR A 84 9.297 3.786 -1.221 1.00 0.00 H ATOM 1111 HB THR A 84 8.206 1.359 0.079 1.00 0.00 H ATOM 1112 HG1 THR A 84 10.595 1.489 0.017 1.00 0.00 H ATOM 1113 HG23 THR A 84 7.106 1.734 -2.091 1.00 0.00 H ATOM 1114 HG21 THR A 84 8.689 1.908 -2.888 1.00 0.00 H ATOM 1115 HG22 THR A 84 8.202 0.335 -2.209 1.00 0.00 H ATOM 1116 H THR A 84 9.653 2.698 1.420 1.00 0.00 H ATOM 1117 N LEU A 85 6.728 3.992 0.733 1.00 0.00 N ATOM 1118 CA LEU A 85 5.472 4.657 0.894 1.00 0.00 C ATOM 1119 C LEU A 85 5.588 6.111 1.200 1.00 0.00 C ATOM 1120 O LEU A 85 4.792 6.941 0.765 1.00 0.00 O ATOM 1121 CB LEU A 85 4.756 4.075 2.125 1.00 0.00 C ATOM 1122 CG LEU A 85 4.334 2.599 2.028 1.00 0.00 C ATOM 1123 CD1 LEU A 85 4.245 1.946 3.417 1.00 0.00 C ATOM 1124 CD2 LEU A 85 2.989 2.438 1.298 1.00 0.00 C ATOM 1125 HA LEU A 85 4.952 4.517 -0.053 1.00 0.00 H ATOM 1126 HB2 LEU A 85 5.427 4.174 2.979 1.00 0.00 H ATOM 1127 HB3 LEU A 85 3.858 4.668 2.299 1.00 0.00 H ATOM 1128 HG LEU A 85 5.107 2.093 1.449 1.00 0.00 H ATOM 1129 HD21 LEU A 85 2.215 2.982 1.840 1.00 0.00 H ATOM 1130 HD22 LEU A 85 3.075 2.838 0.288 1.00 0.00 H ATOM 1131 HD23 LEU A 85 2.727 1.381 1.251 1.00 0.00 H ATOM 1132 HD11 LEU A 85 5.219 1.996 3.904 1.00 0.00 H ATOM 1133 HD12 LEU A 85 3.509 2.477 4.020 1.00 0.00 H ATOM 1134 HD13 LEU A 85 3.944 0.904 3.309 1.00 0.00 H ATOM 1135 H LEU A 85 7.148 3.568 1.585 1.00 0.00 H ATOM 1136 N ARG A 86 6.592 6.475 2.017 1.00 0.00 N ATOM 1137 CA ARG A 86 6.754 7.744 2.657 1.00 0.00 C ATOM 1138 C ARG A 86 7.386 8.771 1.782 1.00 0.00 C ATOM 1139 O ARG A 86 6.905 9.902 1.732 1.00 0.00 O ATOM 1140 CB ARG A 86 7.551 7.500 3.950 1.00 0.00 C ATOM 1141 CG ARG A 86 7.692 8.711 4.874 1.00 0.00 C ATOM 1142 CD ARG A 86 9.073 9.345 4.701 1.00 0.00 C ATOM 1143 NE ARG A 86 9.021 10.674 5.372 1.00 0.00 N ATOM 1144 CZ ARG A 86 10.104 11.379 5.813 1.00 0.00 C ATOM 1145 NH1 ARG A 86 11.364 10.859 5.871 1.00 0.00 N ATOM 1146 NH2 ARG A 86 9.946 12.669 6.231 1.00 0.00 N ATOM 1147 HA ARG A 86 5.775 8.165 2.886 1.00 0.00 H ATOM 1148 HB2 ARG A 86 7.052 6.708 4.508 1.00 0.00 H ATOM 1149 HB3 ARG A 86 8.552 7.171 3.671 1.00 0.00 H ATOM 1150 HG2 ARG A 86 6.925 9.445 4.627 1.00 0.00 H ATOM 1151 HG3 ARG A 86 7.568 8.392 5.909 1.00 0.00 H ATOM 1152 HD2 ARG A 86 9.301 9.467 3.642 1.00 0.00 H ATOM 1153 HD3 ARG A 86 9.835 8.719 5.165 1.00 0.00 H ATOM 1154 HE ARG A 86 8.083 11.100 5.516 1.00 0.00 H ATOM 1155 HH12 ARG A 86 12.152 11.443 6.216 1.00 0.00 H ATOM 1156 HH11 ARG A 86 11.536 9.878 5.570 1.00 0.00 H ATOM 1157 HH22 ARG A 86 10.767 13.211 6.568 1.00 0.00 H ATOM 1158 HH21 ARG A 86 9.004 13.110 6.213 1.00 0.00 H ATOM 1159 H ARG A 86 7.325 5.761 2.202 1.00 0.00 H ATOM 1160 N ASN A 87 8.471 8.455 1.051 1.00 0.00 N ATOM 1161 CA ASN A 87 9.232 9.408 0.304 1.00 0.00 C ATOM 1162 C ASN A 87 8.748 9.556 -1.098 1.00 0.00 C ATOM 1163 O ASN A 87 9.504 9.718 -2.055 1.00 0.00 O ATOM 1164 CB ASN A 87 10.711 8.988 0.350 1.00 0.00 C ATOM 1165 CG ASN A 87 11.660 10.131 0.023 1.00 0.00 C ATOM 1166 OD1 ASN A 87 11.659 11.169 0.684 1.00 0.00 O ATOM 1167 ND2 ASN A 87 12.524 9.951 -1.012 1.00 0.00 N ATOM 1168 HA ASN A 87 9.109 10.391 0.758 1.00 0.00 H ATOM 1169 HB2 ASN A 87 10.938 8.622 1.351 1.00 0.00 H ATOM 1170 HB3 ASN A 87 10.868 8.187 -0.372 1.00 0.00 H ATOM 1171 HD22 ASN A 87 12.506 9.065 -1.556 1.00 0.00 H ATOM 1172 HD21 ASN A 87 13.203 10.699 -1.259 1.00 0.00 H ATOM 1173 H ASN A 87 8.774 7.460 1.028 1.00 0.00 H ATOM 1174 N THR A 88 7.417 9.494 -1.284 1.00 0.00 N ATOM 1175 CA THR A 88 6.725 9.443 -2.535 1.00 0.00 C ATOM 1176 C THR A 88 6.369 10.780 -3.087 1.00 0.00 C ATOM 1177 O THR A 88 6.539 11.816 -2.446 1.00 0.00 O ATOM 1178 CB THR A 88 5.477 8.634 -2.335 1.00 0.00 C ATOM 1179 OG1 THR A 88 4.764 9.076 -1.188 1.00 0.00 O ATOM 1180 CG2 THR A 88 5.936 7.197 -2.037 1.00 0.00 C ATOM 1181 HA THR A 88 7.397 8.992 -3.265 1.00 0.00 H ATOM 1182 HB THR A 88 4.840 8.720 -3.215 1.00 0.00 H ATOM 1183 HG1 THR A 88 5.338 8.980 -0.387 1.00 0.00 H ATOM 1184 HG23 THR A 88 6.491 6.810 -2.891 1.00 0.00 H ATOM 1185 HG21 THR A 88 6.577 7.197 -1.155 1.00 0.00 H ATOM 1186 HG22 THR A 88 5.064 6.569 -1.854 1.00 0.00 H ATOM 1187 H THR A 88 6.828 9.482 -0.427 1.00 0.00 H ATOM 1188 N GLY A 89 5.836 10.840 -4.320 1.00 0.00 N ATOM 1189 CA GLY A 89 5.407 12.049 -4.952 1.00 0.00 C ATOM 1190 C GLY A 89 4.013 12.450 -4.609 1.00 0.00 C ATOM 1191 O GLY A 89 3.201 12.725 -5.491 1.00 0.00 O ATOM 1192 HA3 GLY A 89 5.469 11.913 -6.032 1.00 0.00 H ATOM 1193 HA2 GLY A 89 6.079 12.852 -4.649 1.00 0.00 H ATOM 1194 H GLY A 89 5.729 9.950 -4.848 1.00 0.00 H ATOM 1195 N GLN A 90 3.705 12.504 -3.301 1.00 0.00 N ATOM 1196 CA GLN A 90 2.458 12.823 -2.676 1.00 0.00 C ATOM 1197 C GLN A 90 1.367 11.827 -2.867 1.00 0.00 C ATOM 1198 O GLN A 90 0.750 11.364 -1.910 1.00 0.00 O ATOM 1199 CB GLN A 90 1.993 14.247 -3.022 1.00 0.00 C ATOM 1200 CG GLN A 90 0.983 14.851 -2.044 1.00 0.00 C ATOM 1201 CD GLN A 90 1.639 15.257 -0.732 1.00 0.00 C ATOM 1202 OE1 GLN A 90 2.860 15.357 -0.611 1.00 0.00 O ATOM 1203 NE2 GLN A 90 0.800 15.537 0.301 1.00 0.00 N ATOM 1204 HA GLN A 90 2.679 12.776 -1.610 1.00 0.00 H ATOM 1205 HB2 GLN A 90 2.870 14.894 -3.045 1.00 0.00 H ATOM 1206 HB3 GLN A 90 1.535 14.223 -4.011 1.00 0.00 H ATOM 1207 HG2 GLN A 90 0.533 15.732 -2.501 1.00 0.00 H ATOM 1208 HG3 GLN A 90 0.207 14.114 -1.837 1.00 0.00 H ATOM 1209 HE22 GLN A 90 -0.228 15.445 0.175 1.00 0.00 H ATOM 1210 HE21 GLN A 90 1.187 15.843 1.217 1.00 0.00 H ATOM 1211 H GLN A 90 4.485 12.282 -2.650 1.00 0.00 H ATOM 1212 N VAL A 91 1.098 11.446 -4.128 1.00 0.00 N ATOM 1213 CA VAL A 91 0.164 10.423 -4.486 1.00 0.00 C ATOM 1214 C VAL A 91 0.762 9.082 -4.235 1.00 0.00 C ATOM 1215 O VAL A 91 1.865 8.746 -4.665 1.00 0.00 O ATOM 1216 CB VAL A 91 -0.333 10.502 -5.899 1.00 0.00 C ATOM 1217 CG1 VAL A 91 -1.045 9.219 -6.361 1.00 0.00 C ATOM 1218 CG2 VAL A 91 -1.284 11.710 -5.953 1.00 0.00 C ATOM 1219 HA VAL A 91 -0.709 10.583 -3.854 1.00 0.00 H ATOM 1220 HB VAL A 91 0.510 10.616 -6.581 1.00 0.00 H ATOM 1221 HG11 VAL A 91 -0.353 8.379 -6.300 1.00 0.00 H ATOM 1222 HG12 VAL A 91 -1.905 9.030 -5.718 1.00 0.00 H ATOM 1223 HG13 VAL A 91 -1.380 9.342 -7.391 1.00 0.00 H ATOM 1224 HG21 VAL A 91 -2.107 11.554 -5.256 1.00 0.00 H ATOM 1225 HG22 VAL A 91 -0.739 12.613 -5.678 1.00 0.00 H ATOM 1226 HG23 VAL A 91 -1.678 11.816 -6.964 1.00 0.00 H ATOM 1227 H VAL A 91 1.604 11.929 -4.897 1.00 0.00 H ATOM 1228 N VAL A 92 -0.004 8.258 -3.499 1.00 0.00 N ATOM 1229 CA VAL A 92 0.354 6.913 -3.174 1.00 0.00 C ATOM 1230 C VAL A 92 -0.707 6.032 -3.740 1.00 0.00 C ATOM 1231 O VAL A 92 -1.802 5.885 -3.199 1.00 0.00 O ATOM 1232 CB VAL A 92 0.536 6.791 -1.691 1.00 0.00 C ATOM 1233 CG1 VAL A 92 0.744 5.325 -1.271 1.00 0.00 C ATOM 1234 CG2 VAL A 92 1.773 7.614 -1.293 1.00 0.00 C ATOM 1235 HA VAL A 92 1.307 6.609 -3.607 1.00 0.00 H ATOM 1236 HB VAL A 92 -0.359 7.159 -1.190 1.00 0.00 H ATOM 1237 HG11 VAL A 92 -0.126 4.738 -1.563 1.00 0.00 H ATOM 1238 HG12 VAL A 92 1.633 4.930 -1.763 1.00 0.00 H ATOM 1239 HG13 VAL A 92 0.873 5.273 -0.190 1.00 0.00 H ATOM 1240 HG21 VAL A 92 2.649 7.226 -1.813 1.00 0.00 H ATOM 1241 HG22 VAL A 92 1.618 8.657 -1.569 1.00 0.00 H ATOM 1242 HG23 VAL A 92 1.926 7.540 -0.216 1.00 0.00 H ATOM 1243 H VAL A 92 -0.912 8.621 -3.145 1.00 0.00 H ATOM 1244 N HIS A 93 -0.411 5.429 -4.905 1.00 0.00 N ATOM 1245 CA HIS A 93 -1.180 4.402 -5.536 1.00 0.00 C ATOM 1246 C HIS A 93 -0.818 3.102 -4.904 1.00 0.00 C ATOM 1247 O HIS A 93 0.232 2.537 -5.207 1.00 0.00 O ATOM 1248 CB HIS A 93 -0.912 4.405 -7.051 1.00 0.00 C ATOM 1249 CG HIS A 93 -1.957 3.852 -7.973 1.00 0.00 C ATOM 1250 ND1 HIS A 93 -1.944 2.527 -8.356 1.00 0.00 N ATOM 1251 CD2 HIS A 93 -2.882 4.542 -8.693 1.00 0.00 C ATOM 1252 CE1 HIS A 93 -2.875 2.429 -9.286 1.00 0.00 C ATOM 1253 NE2 HIS A 93 -3.475 3.625 -9.537 1.00 0.00 N ATOM 1254 HA HIS A 93 -2.248 4.572 -5.403 1.00 0.00 H ATOM 1255 HB2 HIS A 93 -0.742 5.441 -7.344 1.00 0.00 H ATOM 1256 HB3 HIS A 93 -0.002 3.828 -7.216 1.00 0.00 H ATOM 1257 HD2 HIS A 93 -3.109 5.605 -8.618 1.00 0.00 H ATOM 1258 HE1 HIS A 93 -3.133 1.500 -9.794 1.00 0.00 H ATOM 1259 H HIS A 93 0.455 5.737 -5.391 1.00 0.00 H ATOM 1260 N LEU A 94 -1.624 2.611 -3.946 1.00 0.00 N ATOM 1261 CA LEU A 94 -1.386 1.417 -3.198 1.00 0.00 C ATOM 1262 C LEU A 94 -1.943 0.243 -3.927 1.00 0.00 C ATOM 1263 O LEU A 94 -3.158 0.081 -4.035 1.00 0.00 O ATOM 1264 CB LEU A 94 -2.038 1.417 -1.805 1.00 0.00 C ATOM 1265 CG LEU A 94 -1.316 2.175 -0.678 1.00 0.00 C ATOM 1266 CD1 LEU A 94 -1.674 1.542 0.678 1.00 0.00 C ATOM 1267 CD2 LEU A 94 0.218 2.115 -0.771 1.00 0.00 C ATOM 1268 HA LEU A 94 -0.304 1.364 -3.078 1.00 0.00 H ATOM 1269 HB2 LEU A 94 -3.030 1.856 -1.910 1.00 0.00 H ATOM 1270 HB3 LEU A 94 -2.133 0.378 -1.490 1.00 0.00 H ATOM 1271 HG LEU A 94 -1.640 3.211 -0.775 1.00 0.00 H ATOM 1272 HD21 LEU A 94 0.543 1.076 -0.722 1.00 0.00 H ATOM 1273 HD22 LEU A 94 0.541 2.554 -1.715 1.00 0.00 H ATOM 1274 HD23 LEU A 94 0.653 2.673 0.058 1.00 0.00 H ATOM 1275 HD11 LEU A 94 -2.751 1.601 0.832 1.00 0.00 H ATOM 1276 HD12 LEU A 94 -1.362 0.498 0.684 1.00 0.00 H ATOM 1277 HD13 LEU A 94 -1.162 2.080 1.475 1.00 0.00 H ATOM 1278 H LEU A 94 -2.491 3.144 -3.732 1.00 0.00 H ATOM 1279 N LEU A 95 -1.069 -0.658 -4.411 1.00 0.00 N ATOM 1280 CA LEU A 95 -1.462 -1.932 -4.927 1.00 0.00 C ATOM 1281 C LEU A 95 -1.548 -2.897 -3.796 1.00 0.00 C ATOM 1282 O LEU A 95 -0.537 -3.394 -3.302 1.00 0.00 O ATOM 1283 CB LEU A 95 -0.442 -2.403 -5.978 1.00 0.00 C ATOM 1284 CG LEU A 95 -1.086 -3.054 -7.213 1.00 0.00 C ATOM 1285 CD1 LEU A 95 0.030 -3.621 -8.106 1.00 0.00 C ATOM 1286 CD2 LEU A 95 -2.121 -4.139 -6.871 1.00 0.00 C ATOM 1287 HA LEU A 95 -2.436 -1.862 -5.411 1.00 0.00 H ATOM 1288 HB2 LEU A 95 0.138 -1.541 -6.306 1.00 0.00 H ATOM 1289 HB3 LEU A 95 0.222 -3.130 -5.512 1.00 0.00 H ATOM 1290 HG LEU A 95 -1.646 -2.282 -7.741 1.00 0.00 H ATOM 1291 HD21 LEU A 95 -1.639 -4.932 -6.300 1.00 0.00 H ATOM 1292 HD22 LEU A 95 -2.924 -3.700 -6.279 1.00 0.00 H ATOM 1293 HD23 LEU A 95 -2.531 -4.551 -7.793 1.00 0.00 H ATOM 1294 HD11 LEU A 95 0.693 -2.812 -8.415 1.00 0.00 H ATOM 1295 HD12 LEU A 95 0.598 -4.365 -7.547 1.00 0.00 H ATOM 1296 HD13 LEU A 95 -0.412 -4.086 -8.987 1.00 0.00 H ATOM 1297 H LEU A 95 -0.058 -0.416 -4.410 1.00 0.00 H ATOM 1298 N LEU A 96 -2.789 -3.142 -3.339 1.00 0.00 N ATOM 1299 CA LEU A 96 -3.135 -3.962 -2.219 1.00 0.00 C ATOM 1300 C LEU A 96 -3.718 -5.257 -2.669 1.00 0.00 C ATOM 1301 O LEU A 96 -4.548 -5.302 -3.575 1.00 0.00 O ATOM 1302 CB LEU A 96 -4.155 -3.244 -1.321 1.00 0.00 C ATOM 1303 CG LEU A 96 -3.561 -2.087 -0.499 1.00 0.00 C ATOM 1304 CD1 LEU A 96 -4.614 -1.007 -0.200 1.00 0.00 C ATOM 1305 CD2 LEU A 96 -2.948 -2.597 0.815 1.00 0.00 C ATOM 1306 HA LEU A 96 -2.221 -4.154 -1.656 1.00 0.00 H ATOM 1307 HB2 LEU A 96 -4.947 -2.844 -1.954 1.00 0.00 H ATOM 1308 HB3 LEU A 96 -4.577 -3.974 -0.630 1.00 0.00 H ATOM 1309 HG LEU A 96 -2.772 -1.639 -1.104 1.00 0.00 H ATOM 1310 HD21 LEU A 96 -3.720 -3.086 1.409 1.00 0.00 H ATOM 1311 HD22 LEU A 96 -2.154 -3.309 0.592 1.00 0.00 H ATOM 1312 HD23 LEU A 96 -2.537 -1.756 1.373 1.00 0.00 H ATOM 1313 HD11 LEU A 96 -4.995 -0.604 -1.138 1.00 0.00 H ATOM 1314 HD12 LEU A 96 -5.434 -1.448 0.367 1.00 0.00 H ATOM 1315 HD13 LEU A 96 -4.157 -0.207 0.382 1.00 0.00 H ATOM 1316 H LEU A 96 -3.574 -2.691 -3.850 1.00 0.00 H ATOM 1317 N GLU A 97 -3.307 -6.368 -2.032 1.00 0.00 N ATOM 1318 CA GLU A 97 -3.859 -7.678 -2.181 1.00 0.00 C ATOM 1319 C GLU A 97 -4.618 -8.037 -0.951 1.00 0.00 C ATOM 1320 O GLU A 97 -4.353 -7.548 0.146 1.00 0.00 O ATOM 1321 CB GLU A 97 -2.804 -8.782 -2.371 1.00 0.00 C ATOM 1322 CG GLU A 97 -2.926 -9.514 -3.709 1.00 0.00 C ATOM 1323 CD GLU A 97 -2.308 -10.904 -3.692 1.00 0.00 C ATOM 1324 OE1 GLU A 97 -1.145 -11.082 -3.241 1.00 0.00 O ATOM 1325 OE2 GLU A 97 -2.997 -11.850 -4.158 1.00 0.00 O ATOM 1326 HA GLU A 97 -4.482 -7.631 -3.074 1.00 0.00 H ATOM 1327 HB2 GLU A 97 -1.814 -8.329 -2.314 1.00 0.00 H ATOM 1328 HB3 GLU A 97 -2.916 -9.510 -1.567 1.00 0.00 H ATOM 1329 HG2 GLU A 97 -3.983 -9.608 -3.957 1.00 0.00 H ATOM 1330 HG3 GLU A 97 -2.425 -8.922 -4.475 1.00 0.00 H ATOM 1331 H GLU A 97 -2.513 -6.264 -1.369 1.00 0.00 H ATOM 1332 N LYS A 98 -5.545 -9.000 -1.110 1.00 0.00 N ATOM 1333 CA LYS A 98 -6.304 -9.623 -0.071 1.00 0.00 C ATOM 1334 C LYS A 98 -5.553 -10.189 1.086 1.00 0.00 C ATOM 1335 O LYS A 98 -4.584 -10.934 0.953 1.00 0.00 O ATOM 1336 CB LYS A 98 -7.260 -10.649 -0.703 1.00 0.00 C ATOM 1337 CG LYS A 98 -6.722 -12.053 -0.985 1.00 0.00 C ATOM 1338 CD LYS A 98 -5.418 -12.159 -1.779 1.00 0.00 C ATOM 1339 CE LYS A 98 -4.730 -13.505 -1.542 1.00 0.00 C ATOM 1340 NZ LYS A 98 -3.326 -13.517 -2.009 1.00 0.00 N ATOM 1341 HA LYS A 98 -6.852 -8.812 0.409 1.00 0.00 H ATOM 1342 HB2 LYS A 98 -8.111 -10.757 -0.031 1.00 0.00 H ATOM 1343 HB3 LYS A 98 -7.599 -10.235 -1.652 1.00 0.00 H ATOM 1344 HG2 LYS A 98 -6.561 -12.541 -0.024 1.00 0.00 H ATOM 1345 HG3 LYS A 98 -7.489 -12.592 -1.541 1.00 0.00 H ATOM 1346 HD2 LYS A 98 -5.639 -12.055 -2.841 1.00 0.00 H ATOM 1347 HD3 LYS A 98 -4.747 -11.358 -1.469 1.00 0.00 H ATOM 1348 HE2 LYS A 98 -5.282 -14.278 -2.076 1.00 0.00 H ATOM 1349 HE3 LYS A 98 -4.745 -13.722 -0.474 1.00 0.00 H ATOM 1350 HZ1 LYS A 98 -3.300 -13.320 -3.030 1.00 0.00 H ATOM 1351 HZ2 LYS A 98 -2.786 -12.788 -1.500 1.00 0.00 H ATOM 1352 HZ3 LYS A 98 -2.908 -14.451 -1.824 1.00 0.00 H ATOM 1353 H LYS A 98 -5.726 -9.322 -2.082 1.00 0.00 H ATOM 1354 N GLY A 99 -5.987 -9.876 2.321 1.00 0.00 N ATOM 1355 CA GLY A 99 -5.515 -10.504 3.515 1.00 0.00 C ATOM 1356 C GLY A 99 -6.324 -11.682 3.940 1.00 0.00 C ATOM 1357 O GLY A 99 -6.223 -12.163 5.067 1.00 0.00 O ATOM 1358 HA3 GLY A 99 -5.531 -9.768 4.319 1.00 0.00 H ATOM 1359 HA2 GLY A 99 -4.490 -10.834 3.347 1.00 0.00 H ATOM 1360 H GLY A 99 -6.709 -9.133 2.412 1.00 0.00 H ATOM 1361 N GLN A 100 -7.176 -12.178 3.026 1.00 0.00 N ATOM 1362 CA GLN A 100 -8.100 -13.252 3.222 1.00 0.00 C ATOM 1363 C GLN A 100 -7.684 -14.435 2.418 1.00 0.00 C ATOM 1364 O GLN A 100 -7.553 -14.357 1.197 1.00 0.00 O ATOM 1365 CB GLN A 100 -9.501 -12.765 2.817 1.00 0.00 C ATOM 1366 CG GLN A 100 -10.652 -13.699 3.192 1.00 0.00 C ATOM 1367 CD GLN A 100 -11.965 -13.018 2.830 1.00 0.00 C ATOM 1368 OE1 GLN A 100 -12.477 -13.159 1.720 1.00 0.00 O ATOM 1369 NE2 GLN A 100 -12.502 -12.196 3.772 1.00 0.00 N ATOM 1370 HA GLN A 100 -8.116 -13.556 4.269 1.00 0.00 H ATOM 1371 HB2 GLN A 100 -9.676 -11.804 3.300 1.00 0.00 H ATOM 1372 HB3 GLN A 100 -9.512 -12.634 1.735 1.00 0.00 H ATOM 1373 HG2 GLN A 100 -10.560 -14.636 2.642 1.00 0.00 H ATOM 1374 HG3 GLN A 100 -10.626 -13.903 4.262 1.00 0.00 H ATOM 1375 HE22 GLN A 100 -12.044 -12.100 4.701 1.00 0.00 H ATOM 1376 HE21 GLN A 100 -13.371 -11.664 3.563 1.00 0.00 H ATOM 1377 H GLN A 100 -7.162 -11.738 2.084 1.00 0.00 H ATOM 1378 N VAL A 101 -7.443 -15.595 3.054 1.00 0.00 N ATOM 1379 CA VAL A 101 -6.889 -16.745 2.409 1.00 0.00 C ATOM 1380 C VAL A 101 -7.860 -17.463 1.536 1.00 0.00 C ATOM 1381 O VAL A 101 -9.061 -17.333 1.762 1.00 0.00 O ATOM 1382 CB VAL A 101 -6.290 -17.701 3.397 1.00 0.00 C ATOM 1383 CG1 VAL A 101 -5.057 -17.047 4.043 1.00 0.00 C ATOM 1384 CG2 VAL A 101 -7.302 -18.146 4.464 1.00 0.00 C ATOM 1385 HA VAL A 101 -6.101 -16.357 1.764 1.00 0.00 H ATOM 1386 HB VAL A 101 -5.991 -18.604 2.865 1.00 0.00 H ATOM 1387 HG11 VAL A 101 -4.326 -16.810 3.270 1.00 0.00 H ATOM 1388 HG12 VAL A 101 -5.358 -16.132 4.553 1.00 0.00 H ATOM 1389 HG13 VAL A 101 -4.616 -17.737 4.763 1.00 0.00 H ATOM 1390 HG21 VAL A 101 -7.659 -17.273 5.011 1.00 0.00 H ATOM 1391 HG22 VAL A 101 -8.143 -18.642 3.980 1.00 0.00 H ATOM 1392 HG23 VAL A 101 -6.819 -18.837 5.155 1.00 0.00 H ATOM 1393 H VAL A 101 -7.671 -15.659 4.067 1.00 0.00 H ATOM 1394 N PRO A 102 -7.487 -18.199 0.531 1.00 0.00 N ATOM 1395 CA PRO A 102 -8.394 -19.057 -0.176 1.00 0.00 C ATOM 1396 C PRO A 102 -8.848 -20.227 0.627 1.00 0.00 C ATOM 1397 O PRO A 102 -8.088 -20.707 1.511 1.00 0.00 O ATOM 1398 CB PRO A 102 -7.620 -19.531 -1.405 1.00 0.00 C ATOM 1399 CG PRO A 102 -6.572 -18.429 -1.633 1.00 0.00 C ATOM 1400 CD PRO A 102 -6.233 -18.030 -0.187 1.00 0.00 C ATOM 1401 HA PRO A 102 -9.305 -18.513 -0.424 1.00 0.00 H ATOM 1402 HD3 PRO A 102 -5.461 -18.681 0.223 1.00 0.00 H ATOM 1403 HD2 PRO A 102 -5.896 -16.994 -0.140 1.00 0.00 H ATOM 1404 HG3 PRO A 102 -6.989 -17.591 -2.191 1.00 0.00 H ATOM 1405 HG2 PRO A 102 -5.697 -18.813 -2.157 1.00 0.00 H ATOM 1406 HB2 PRO A 102 -7.139 -20.490 -1.214 1.00 0.00 H ATOM 1407 HB3 PRO A 102 -8.280 -19.623 -2.267 1.00 0.00 H ATOM 1408 OXT PRO A 102 -9.971 -20.740 0.379 1.00 0.00 O TER 1409 PRO A 102 HETATM 1410 N TYR A 1 11.942 -2.383 14.953 1.00 0.24 N HETATM 1411 CA TYR A 1 11.082 -1.343 15.428 1.00 0.07 C HETATM 1412 C TYR A 1 9.659 -1.713 15.192 1.00 0.23 C HETATM 1413 O TYR A 1 8.838 -1.716 16.109 1.00 -0.39 O HETATM 1414 N TYR A 1 9.328 -2.024 13.926 1.00 -0.26 N HETATM 1415 CA TYR A 1 8.019 -2.245 13.395 1.00 0.13 C HETATM 1416 C TYR A 1 7.101 -1.075 13.487 1.00 0.20 C HETATM 1417 O TYR A 1 7.467 -0.007 13.976 1.00 -0.39 O HETATM 1418 N TYR A 1 5.863 -1.250 12.992 1.00 -0.26 N HETATM 1419 CA TYR A 1 4.713 -0.403 13.074 1.00 0.13 C HETATM 1420 C TYR A 1 4.961 1.067 13.085 1.00 0.20 C HETATM 1421 O TYR A 1 5.143 1.728 14.106 1.00 -0.39 O HETATM 1422 N TYR A 1 4.988 1.610 11.855 1.00 -0.26 N HETATM 1423 CA TYR A 1 5.373 2.956 11.570 1.00 0.16 C HETATM 1424 C TYR A 1 4.188 3.464 10.822 1.00 0.21 C HETATM 1425 O TYR A 1 3.812 2.872 9.813 1.00 -0.39 O HETATM 1426 N TYR A 1 3.568 4.541 11.336 1.00 -0.26 N HETATM 1427 CA TYR A 1 2.543 5.284 10.668 1.00 0.15 C HETATM 1428 C TYR A 1 3.136 6.064 9.545 1.00 0.21 C HETATM 1429 O TYR A 1 4.056 6.861 9.727 1.00 -0.39 O HETATM 1430 N TYR A 1 2.655 5.813 8.315 1.00 -0.27 N HETATM 1431 CA TYR A 1 3.145 6.426 7.119 1.00 0.10 C HETATM 1432 C TYR A 1 1.920 6.465 6.218 1.00 0.06 C HETATM 1433 O TYR A 1 0.873 5.828 6.511 1.00 -0.57 O HETATM 1434 OXT TYR A 1 1.975 7.271 5.251 1.00 -0.57 O HETATM 1435 CB TYR A 1 4.396 5.806 6.572 1.00 -0.01 C HETATM 1436 CG1 TYR A 1 4.698 4.403 7.125 1.00 -0.06 C HETATM 1437 H47 TYR A 1 5.627 4.024 6.675 1.00 0.02 H HETATM 1438 H48 TYR A 1 3.868 3.725 6.879 1.00 0.02 H HETATM 1439 H49 TYR A 1 4.816 4.457 8.217 1.00 0.02 H HETATM 1440 CG2 TYR A 1 4.484 5.793 5.036 1.00 -0.06 C HETATM 1441 H50 TYR A 1 4.267 6.799 4.648 1.00 0.02 H HETATM 1442 H51 TYR A 1 3.751 5.079 4.633 1.00 0.02 H HETATM 1443 H52 TYR A 1 5.497 5.492 4.729 1.00 0.02 H HETATM 1444 H46 TYR A 1 5.215 6.454 6.918 1.00 0.03 H HETATM 1445 H45 TYR A 1 3.415 7.466 7.353 1.00 0.07 H HETATM 1446 H44 TYR A 1 1.906 5.155 8.231 1.00 0.19 H HETATM 1447 CB TYR A 1 1.763 6.210 11.615 1.00 0.08 C HETATM 1448 OG TYR A 1 2.584 7.171 12.263 1.00 -0.39 O HETATM 1449 H43 TYR A 1 3.005 7.718 11.610 1.00 0.21 H HETATM 1450 H41 TYR A 1 1.275 5.593 12.384 1.00 0.06 H HETATM 1451 H42 TYR A 1 0.997 6.742 11.031 1.00 0.06 H HETATM 1452 H40 TYR A 1 1.828 4.563 10.245 1.00 0.08 H HETATM 1453 H39 TYR A 1 3.842 4.844 12.249 1.00 0.19 H HETATM 1454 CB TYR A 1 6.568 3.070 10.670 1.00 0.09 C HETATM 1455 OG1 TYR A 1 7.680 2.376 11.214 1.00 -0.39 O HETATM 1456 H35 TYR A 1 7.460 1.457 11.315 1.00 0.21 H HETATM 1457 CG2 TYR A 1 7.000 4.534 10.479 1.00 -0.03 C HETATM 1458 H36 TYR A 1 7.876 4.574 9.815 1.00 0.03 H HETATM 1459 H37 TYR A 1 7.259 4.970 11.455 1.00 0.03 H HETATM 1460 H38 TYR A 1 6.173 5.105 10.030 1.00 0.03 H HETATM 1461 H34 TYR A 1 6.310 2.638 9.692 1.00 0.06 H HETATM 1462 H33 TYR A 1 5.551 3.518 12.498 1.00 0.08 H HETATM 1463 H32 TYR A 1 4.720 1.031 11.085 1.00 0.19 H HETATM 1464 CB TYR A 1 3.641 -0.857 14.021 1.00 -0.01 C HETATM 1465 CG1 TYR A 1 2.996 -2.115 13.417 1.00 -0.06 C HETATM 1466 H26 TYR A 1 2.202 -2.478 14.087 1.00 0.02 H HETATM 1467 H27 TYR A 1 3.760 -2.897 13.297 1.00 0.02 H HETATM 1468 H28 TYR A 1 2.564 -1.870 12.435 1.00 0.02 H HETATM 1469 CG2 TYR A 1 4.198 -1.122 15.430 1.00 -0.06 C HETATM 1470 H29 TYR A 1 4.649 -0.200 15.825 1.00 0.02 H HETATM 1471 H30 TYR A 1 4.962 -1.912 15.380 1.00 0.02 H HETATM 1472 H31 TYR A 1 3.381 -1.444 16.093 1.00 0.02 H HETATM 1473 H25 TYR A 1 2.878 -0.068 14.100 1.00 0.03 H HETATM 1474 H24 TYR A 1 4.244 -0.555 12.091 1.00 0.08 H HETATM 1475 H23 TYR A 1 5.725 -2.103 12.489 1.00 0.19 H HETATM 1476 CB TYR A 1 7.370 -3.517 13.965 1.00 -0.01 C HETATM 1477 CG TYR A 1 6.451 -4.335 13.043 1.00 -0.04 C HETATM 1478 CD1 TYR A 1 7.247 -4.973 11.892 1.00 -0.06 C HETATM 1479 H17 TYR A 1 6.565 -5.551 11.251 1.00 0.02 H HETATM 1480 H18 TYR A 1 8.016 -5.642 12.305 1.00 0.02 H HETATM 1481 H19 TYR A 1 7.729 -4.183 11.297 1.00 0.02 H HETATM 1482 CD2 TYR A 1 5.815 -5.438 13.906 1.00 -0.06 C HETATM 1483 H20 TYR A 1 5.247 -4.978 14.728 1.00 0.02 H HETATM 1484 H21 TYR A 1 6.606 -6.080 14.321 1.00 0.02 H HETATM 1485 H22 TYR A 1 5.138 -6.044 13.286 1.00 0.02 H HETATM 1486 H16 TYR A 1 5.668 -3.684 12.626 1.00 0.03 H HETATM 1487 H14 TYR A 1 6.773 -3.216 14.838 1.00 0.03 H HETATM 1488 H15 TYR A 1 8.184 -4.182 14.289 1.00 0.03 H HETATM 1489 H13 TYR A 1 8.163 -2.428 12.320 1.00 0.08 H HETATM 1490 H12 TYR A 1 10.087 -2.111 13.280 1.00 0.19 H HETATM 1491 CB TYR A 1 11.440 -0.025 14.720 1.00 0.04 C HETATM 1492 CG TYR A 1 11.317 1.154 15.624 1.00 -0.05 C HETATM 1493 CD1 TYR A 1 10.135 1.846 15.738 1.00 -0.07 C HETATM 1494 CE1 TYR A 1 10.058 2.968 16.530 1.00 -0.04 C HETATM 1495 CZ TYR A 1 11.171 3.408 17.205 1.00 0.08 C HETATM 1496 CE2 TYR A 1 12.352 2.710 17.111 1.00 -0.04 C HETATM 1497 CD2 TYR A 1 12.420 1.586 16.322 1.00 -0.07 C HETATM 1498 H8 TYR A 1 13.351 1.036 16.250 1.00 0.05 H HETATM 1499 H10 TYR A 1 13.226 3.045 17.657 1.00 0.05 H HETATM 1500 OH TYR A 1 11.117 4.583 17.984 1.00 -0.34 O HETATM 1501 H11 TYR A 1 10.240 4.945 17.948 1.00 0.25 H HETATM 1502 H9 TYR A 1 9.120 3.504 16.622 1.00 0.05 H HETATM 1503 H7 TYR A 1 9.258 1.505 15.200 1.00 0.05 H HETATM 1504 H5 TYR A 1 10.762 0.113 13.865 1.00 0.05 H HETATM 1505 H6 TYR A 1 12.477 -0.087 14.359 1.00 0.05 H HETATM 1506 H4 TYR A 1 11.237 -1.216 16.510 1.00 0.11 H HETATM 1507 H1 TYR A 1 12.903 -2.125 15.116 1.00 0.20 H HETATM 1508 H2 TYR A 1 11.793 -2.517 13.965 1.00 0.20 H HETATM 1509 H3 TYR A 1 11.736 -3.239 15.443 1.00 0.20 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 1410 1411 1507 1508 1509 CONECT 1411 1410 1412 1491 1506 CONECT 1412 1411 1413 1414 CONECT 1413 1412 CONECT 1414 1412 1415 1490 CONECT 1415 1414 1416 1476 1489 CONECT 1416 1415 1417 1418 CONECT 1417 1416 CONECT 1418 1416 1419 1475 CONECT 1419 1418 1420 1464 1474 CONECT 1420 1419 1421 1422 CONECT 1421 1420 CONECT 1422 1420 1423 1463 CONECT 1423 1422 1424 1454 1462 CONECT 1424 1423 1425 1426 CONECT 1425 1424 CONECT 1426 1424 1427 1453 CONECT 1427 1426 1428 1447 1452 CONECT 1428 1427 1429 1430 CONECT 1429 1428 CONECT 1430 1428 1431 1446 CONECT 1431 1430 1432 1435 1445 CONECT 1432 1431 1433 1434 CONECT 1433 1432 CONECT 1434 1432 CONECT 1435 1431 1436 1440 1444 CONECT 1436 1435 1437 1438 1439 CONECT 1437 1436 CONECT 1438 1436 CONECT 1439 1436 CONECT 1440 1435 1441 1442 1443 CONECT 1441 1440 CONECT 1442 1440 CONECT 1443 1440 CONECT 1444 1435 CONECT 1445 1431 CONECT 1446 1430 CONECT 1447 1427 1448 1450 1451 CONECT 1448 1447 1449 CONECT 1449 1448 CONECT 1450 1447 CONECT 1451 1447 CONECT 1452 1427 CONECT 1453 1426 CONECT 1454 1423 1455 1457 1461 CONECT 1455 1454 1456 CONECT 1456 1455 CONECT 1457 1454 1458 1459 1460 CONECT 1458 1457 CONECT 1459 1457 CONECT 1460 1457 CONECT 1461 1454 CONECT 1462 1423 CONECT 1463 1422 CONECT 1464 1419 1465 1469 1473 CONECT 1465 1464 1466 1467 1468 CONECT 1466 1465 CONECT 1467 1465 CONECT 1468 1465 CONECT 1469 1464 1470 1471 1472 CONECT 1470 1469 CONECT 1471 1469 CONECT 1472 1469 CONECT 1473 1464 CONECT 1474 1419 CONECT 1475 1418 CONECT 1476 1415 1477 1487 1488 CONECT 1477 1476 1478 1482 1486 CONECT 1478 1477 1479 1480 1481 CONECT 1479 1478 CONECT 1480 1478 CONECT 1481 1478 CONECT 1482 1477 1483 1484 1485 CONECT 1483 1482 CONECT 1484 1482 CONECT 1485 1482 CONECT 1486 1477 CONECT 1487 1476 CONECT 1488 1476 CONECT 1489 1415 CONECT 1490 1414 CONECT 1491 1411 1492 1504 1505 CONECT 1492 1491 1493 1497 CONECT 1493 1492 1494 1503 CONECT 1494 1493 1495 1502 CONECT 1495 1494 1496 1500 CONECT 1496 1495 1497 1499 CONECT 1497 1492 1496 1498 CONECT 1498 1497 CONECT 1499 1496 CONECT 1500 1495 1501 CONECT 1501 1500 CONECT 1502 1494 CONECT 1503 1493 CONECT 1504 1491 CONECT 1505 1491 CONECT 1506 1411 CONECT 1507 1410 CONECT 1508 1410 CONECT 1509 1410 MASTER 0 0 0 0 0 0 0 0 1508 1 104 8 END
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PDBbind
10-mer
2wp1
RCSB PDB
PDBbind
10-mer
2z5o
RCSB PDB
PDBbind
10-mer
3al3
RCSB PDB
PDBbind
10-mer
3bh8
RCSB PDB
PDBbind
10-mer
3bh9
RCSB PDB
PDBbind
10-mer
3bhb
RCSB PDB
PDBbind
10-mer
3c94
RCSB PDB
PDBbind
10-mer
3d1e
RCSB PDB
PDBbind
10-mer
3diw
RCSB PDB
PDBbind
10-mer
3dnj
RCSB PDB
PDBbind
10-mer
3dpc
RCSB PDB
PDBbind
10-mer
3dvp
RCSB PDB
PDBbind
10-mer
3ebb
RCSB PDB
PDBbind
10-mer
3er5
RCSB PDB
PDBbind
10-mer
3f9w
RCSB PDB
PDBbind
10-mer
3f9y
RCSB PDB
PDBbind
10-mer
3fe7
RCSB PDB
PDBbind
10-mer
3fea
RCSB PDB
PDBbind
10-mer
3gbq
RCSB PDB
PDBbind
10-mer
3gds
RCSB PDB
PDBbind
10-mer
3hg1
RCSB PDB
PDBbind
10-mer
3iqj
RCSB PDB
PDBbind
10-mer
3ivv
RCSB PDB
PDBbind
10-mer
3nkx
RCSB PDB
PDBbind
10-mer
3oq5
RCSB PDB
PDBbind
10-mer
3puj
RCSB PDB
PDBbind
10-mer
3puk
RCSB PDB
PDBbind
10-mer
3pxe
RCSB PDB
PDBbind
10-mer
3q8d
RCSB PDB
PDBbind
10-mer
3qzt
RCSB PDB
PDBbind
10-mer
3rwi
RCSB PDB
PDBbind
10-mer
3shv
RCSB PDB
PDBbind
10-mer
3szm
RCSB PDB
PDBbind
10-mer
3tkz
RCSB PDB
PDBbind
10-mer
3tl0
RCSB PDB
PDBbind
10-mer
3uii
RCSB PDB
PDBbind
10-mer
3uik
RCSB PDB
PDBbind
10-mer
3uvm
RCSB PDB
PDBbind
10-mer
3zmp
RCSB PDB
PDBbind
10-mer
3zmq
RCSB PDB
PDBbind
10-mer
4bg6
RCSB PDB
PDBbind
10-mer
4e34
RCSB PDB
PDBbind
10-mer
4e35
RCSB PDB
PDBbind
10-mer
4e3b
RCSB PDB
PDBbind
10-mer
4e81
RCSB PDB
PDBbind
10-mer
4e9d
RCSB PDB
PDBbind
10-mer
4er4
RCSB PDB
PDBbind
10-mer
4h39
RCSB PDB
PDBbind
10-mer
4h3b
RCSB PDB
PDBbind
10-mer
4hcz
RCSB PDB
PDBbind
10-mer
4i2w
RCSB PDB
PDBbind
10-mer
4i2z
RCSB PDB
PDBbind
10-mer
4jfd
RCSB PDB
PDBbind
10-mer
4jfe
RCSB PDB
PDBbind
10-mer
4jff
RCSB PDB
PDBbind
10-mer
4jjq
RCSB PDB
PDBbind
10-mer
4joe
RCSB PDB
PDBbind
10-mer
4jof
RCSB PDB
PDBbind
10-mer
4jog
RCSB PDB
PDBbind
10-mer
4joh
RCSB PDB
PDBbind
10-mer
4joj
RCSB PDB
PDBbind
10-mer
4jok
RCSB PDB
PDBbind
10-mer
4k6y
RCSB PDB
PDBbind
10-mer
4k72
RCSB PDB
PDBbind
10-mer
4k75
RCSB PDB
PDBbind
10-mer
4k76
RCSB PDB
PDBbind
10-mer
4k78
RCSB PDB
PDBbind
10-mer
4lnp
RCSB PDB
PDBbind
10-mer
4mdr
RCSB PDB
PDBbind
10-mer
4n84
RCSB PDB
PDBbind
10-mer
4nmo
RCSB PDB
PDBbind
10-mer
4nmp
RCSB PDB
PDBbind
10-mer
4nmq
RCSB PDB
PDBbind
10-mer
4nmr
RCSB PDB
PDBbind
10-mer
4nms
RCSB PDB
PDBbind
10-mer
4nmt
RCSB PDB
PDBbind
10-mer
4nmv
RCSB PDB
PDBbind
10-mer
4o2c
RCSB PDB
PDBbind
10-mer
4oz1
RCSB PDB
PDBbind
10-mer
4p0a
RCSB PDB
PDBbind
10-mer
4p0b
RCSB PDB
PDBbind
10-mer
4qok
RCSB PDB
PDBbind
10-mer
4rqz
RCSB PDB
PDBbind
10-mer
4u90
RCSB PDB
PDBbind
10-mer
4v11
RCSB PDB
PDBbind
10-mer
4wj5
RCSB PDB
PDBbind
10-mer
4x1n
RCSB PDB
PDBbind
10-mer
4x1p
RCSB PDB
PDBbind
10-mer
4x1q
RCSB PDB
PDBbind
10-mer
4x1r
RCSB PDB
PDBbind
10-mer
4x1s
RCSB PDB
PDBbind
10-mer
4x34
RCSB PDB
PDBbind
10-mer
4x3s
RCSB PDB
PDBbind
10-mer
4x8n
RCSB PDB
PDBbind
10-mer
4xhv
RCSB PDB
PDBbind
10-mer
4z0u
RCSB PDB
PDBbind
10-mer
4z7i
RCSB PDB
PDBbind
10-mer
4zhl
RCSB PDB
PDBbind
10-mer
4zhm
RCSB PDB
PDBbind
10-mer
5ab0
RCSB PDB
PDBbind
10-mer
5aei
RCSB PDB
PDBbind
10-mer
5azg
RCSB PDB
PDBbind
10-mer
5c0m
RCSB PDB
PDBbind
10-mer
5c11
RCSB PDB
PDBbind
10-mer
5c13
RCSB PDB
PDBbind
10-mer
5d6y
RCSB PDB
PDBbind
10-mer
5gp7
RCSB PDB
PDBbind
10-mer
5gs4
RCSB PDB
PDBbind
10-mer
5gtr
RCSB PDB
PDBbind
10-mer
5iaw
RCSB PDB
PDBbind
10-mer
5j31
RCSB PDB
PDBbind
10-mer
5jzi
RCSB PDB
PDBbind
10-mer
5myo
RCSB PDB
PDBbind
10-mer
5n1y
RCSB PDB
PDBbind
10-mer
5nx2
RCSB PDB
PDBbind
10-mer
5t6z
RCSB PDB
PDBbind
10-mer
5t70
RCSB PDB
PDBbind
10-mer
5t8r
RCSB PDB
PDBbind
10-mer
5vnb
RCSB PDB
PDBbind
10-mer
5w7i
RCSB PDB
PDBbind
10-mer
5w7j
RCSB PDB
PDBbind
10-mer
5wkf
RCSB PDB
PDBbind
10-mer
5wkh
RCSB PDB
PDBbind
10-mer
6ar2
RCSB PDB
PDBbind
10-mer
6buu
RCSB PDB
PDBbind
10-mer
6fkp
RCSB PDB
PDBbind
10-mer
6mim
RCSB PDB
PDBbind
10-mer
6qtx
RCSB PDB
PDBbind
10-mer
6pek
RCSB PDB
PDBbind
10-mer
6iiw
RCSB PDB
PDBbind
10-mer
6hzx
RCSB PDB
PDBbind
10-mer
6hoi
RCSB PDB
PDBbind
10-mer
6dkp
RCSB PDB
PDBbind
10-mer
6a8n
RCSB PDB
PDBbind
10-mer
5zys
RCSB PDB
PDBbind
10-mer
Entry Information
PDB ID
1vj6
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
protein-tyrosine-phosphatase
Ligand Name
10-mer
EC.Number
E.C.3.1.3.48
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=8uM
Release Year
2005
Protein/NA Sequence
Check fasta file
Primary Reference
(2006) Structure Vol. 14: pp. 1801-1809
Ligand Properties
Formula
C
3
2
H
5
3
N
6
O
1
0
Molecular Weight
681.797
Exact Mass
681.382
No. of atoms
101
No. of bonds
101
Polar Surface Area
271.13
LOGP Value
-0.57 (
Computed with XLOGP3
)
-0.26 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 9
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 26
No. of Nitrogen and Oxygen Atoms: 16
No. of Rings: 1
Canonical SMILES
OC[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)[NH3+])CC(C)C
InChI String
InChI=1S/C32H52N6O10/c1-15(2)12-22(34-27(42)21(33)13-19-8-10-20(41)11-9-19)28(43)36-24(16(3)4)30(45)38-26(18(7)40)31(46)35-23(14-39)29(44)37-25(17(5)6)32(47)48/h8-11,15-18,21-26,39-41H,12-14,33H2,1-7H3,(H,34,42)(H,35,46)(H,36,43)(H,37,44)(H,38,45)(H,47,48)/p+1/t18-,21+,22+,23+,24+,25+,26+/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q61315
Q64512
Entrez Gene ID
NCBI Entrez Gene ID:
19249
ASD
Information of known allosteric effects of PDB entries
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