Browse entries in the PDBbind-CN Database
HEADER 4GVD_COMPLEX COMPND 4GVD_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 14 GLY ALA MET GLY LYS VAL THR HIS SER ILE HIS ILE GLU SEQRES 2 A 14 LYS SEQRES 1 A 13 ALA ASP THR TYR GLY PHE SER LEU SER SER VAL GLU GLU SEQRES 1 A 60 ILE ARG ARG LEU TYR VAL ASN SER VAL LYS GLU THR GLY SEQRES 2 A 60 LEU ALA SER LYS LYS GLY LEU LYS ALA GLY ASP GLU ILE SEQRES 3 A 60 LEU GLU ILE ASN ASN ARG ALA ALA ASP ALA LEU ASN SER SEQRES 4 A 60 SER MET LEU LYS ASP PHE LEU SER GLN PRO SER LEU GLY SEQRES 5 A 60 LEU LEU VAL ARG THR TYR PRO GLU HET NA A 1 1 HET THR A 127 120 ATOM 1 N GLY A 837 -22.155 -12.223 -26.682 1.00 30.51 N ATOM 2 CA GLY A 837 -20.962 -13.093 -26.391 1.00 26.90 C ATOM 3 C GLY A 837 -21.507 -14.487 -26.076 1.00 25.92 C ATOM 4 O GLY A 837 -22.740 -14.703 -26.086 1.00 26.50 O ATOM 5 HN3 GLY A 837 -22.777 -12.200 -25.849 1.00 0.00 H ATOM 6 HN2 GLY A 837 -22.676 -12.611 -27.494 1.00 0.00 H ATOM 7 HN1 GLY A 837 -21.834 -11.259 -26.903 1.00 0.00 H ATOM 8 N ALA A 838 -20.626 -15.453 -25.818 1.00 22.58 N ATOM 9 CA ALA A 838 -21.099 -16.837 -25.680 1.00 22.83 C ATOM 10 C ALA A 838 -20.315 -17.443 -24.550 1.00 22.80 C ATOM 11 O ALA A 838 -19.958 -16.725 -23.596 1.00 23.74 O ATOM 12 CB ALA A 838 -20.940 -17.627 -26.993 1.00 22.49 C ATOM 13 H ALA A 838 -19.615 -15.230 -25.716 1.00 0.00 H ATOM 14 N MET A 839 -20.101 -18.749 -24.604 1.00 20.78 N ATOM 15 CA MET A 839 -19.528 -19.430 -23.488 1.00 22.61 C ATOM 16 C MET A 839 -18.031 -19.749 -23.665 1.00 18.96 C ATOM 17 O MET A 839 -17.450 -20.463 -22.851 1.00 21.91 O ATOM 18 CB MET A 839 -20.315 -20.719 -23.201 1.00 28.63 C ATOM 19 CG MET A 839 -21.642 -20.366 -22.521 1.00 33.07 C ATOM 20 SD MET A 839 -22.746 -21.741 -22.646 1.00 39.77 S ATOM 21 CE MET A 839 -21.980 -22.850 -21.482 1.00 37.86 C ATOM 22 H MET A 839 -20.351 -19.280 -25.462 1.00 0.00 H ATOM 23 N GLY A 840 -17.387 -19.201 -24.676 1.00 17.13 N ATOM 24 CA GLY A 840 -15.957 -19.470 -24.790 1.00 14.63 C ATOM 25 C GLY A 840 -15.195 -18.741 -23.680 1.00 17.24 C ATOM 26 O GLY A 840 -15.549 -17.624 -23.235 1.00 18.58 O ATOM 27 H GLY A 840 -17.879 -18.599 -25.367 1.00 0.00 H ATOM 28 N LYS A 841 -14.056 -19.295 -23.314 1.00 16.87 N ATOM 29 CA LYS A 841 -13.216 -18.778 -22.184 1.00 17.14 C ATOM 30 C LYS A 841 -12.289 -17.685 -22.741 1.00 18.21 C ATOM 31 O LYS A 841 -11.561 -17.912 -23.704 1.00 18.36 O ATOM 32 CB LYS A 841 -12.385 -19.944 -21.585 1.00 21.43 C ATOM 33 CG LYS A 841 -11.312 -19.478 -20.563 1.00 22.52 C ATOM 34 CD LYS A 841 -10.666 -20.624 -19.789 1.00 27.56 C ATOM 35 CE LYS A 841 -10.010 -21.679 -20.689 1.00 36.69 C ATOM 36 NZ LYS A 841 -8.897 -21.190 -21.570 1.00 42.53 N ATOM 37 HZ1 LYS A 841 -9.259 -20.451 -22.206 1.00 0.00 H ATOM 38 HZ2 LYS A 841 -8.136 -20.799 -20.980 1.00 0.00 H ATOM 39 HZ3 LYS A 841 -8.528 -21.983 -22.133 1.00 0.00 H ATOM 40 H LYS A 841 -13.724 -20.132 -23.834 1.00 0.00 H ATOM 41 N VAL A 842 -12.287 -16.535 -22.112 1.00 14.33 N ATOM 42 CA VAL A 842 -11.399 -15.455 -22.551 1.00 14.34 C ATOM 43 C VAL A 842 -10.494 -15.191 -21.330 1.00 14.27 C ATOM 44 O VAL A 842 -11.024 -15.069 -20.181 1.00 14.33 O ATOM 45 CB VAL A 842 -12.254 -14.199 -22.936 1.00 16.56 C ATOM 46 CG1 VAL A 842 -11.334 -12.952 -23.074 1.00 17.50 C ATOM 47 CG2 VAL A 842 -12.976 -14.440 -24.258 1.00 16.37 C ATOM 48 H VAL A 842 -12.918 -16.388 -21.298 1.00 0.00 H ATOM 49 N THR A 843 -9.164 -15.079 -21.519 1.00 14.85 N ATOM 50 CA THR A 843 -8.296 -14.766 -20.369 1.00 14.14 C ATOM 51 C THR A 843 -7.527 -13.417 -20.624 1.00 15.02 C ATOM 52 O THR A 843 -7.441 -12.948 -21.739 1.00 15.01 O ATOM 53 CB THR A 843 -7.314 -15.869 -20.012 1.00 18.10 C ATOM 54 OG1 THR A 843 -6.523 -16.139 -21.146 1.00 20.68 O ATOM 55 CG2 THR A 843 -8.101 -17.219 -19.699 1.00 15.75 C ATOM 56 HG1 THR A 843 -5.876 -16.857 -20.932 1.00 0.00 H ATOM 57 H THR A 843 -8.755 -15.212 -22.466 1.00 0.00 H ATOM 58 N HIS A 844 -7.039 -12.823 -19.555 1.00 14.96 N ATOM 59 CA HIS A 844 -6.519 -11.444 -19.587 1.00 16.37 C ATOM 60 C HIS A 844 -5.258 -11.456 -18.736 1.00 17.18 C ATOM 61 O HIS A 844 -5.318 -11.876 -17.553 1.00 18.34 O ATOM 62 CB HIS A 844 -7.614 -10.562 -19.031 1.00 18.26 C ATOM 63 CG HIS A 844 -7.306 -9.091 -19.053 1.00 20.98 C ATOM 64 ND1 HIS A 844 -8.011 -8.222 -18.304 1.00 23.84 N ATOM 65 CD2 HIS A 844 -6.361 -8.354 -19.748 1.00 23.00 C ATOM 66 CE1 HIS A 844 -7.562 -6.959 -18.531 1.00 22.39 C ATOM 67 NE2 HIS A 844 -6.563 -7.028 -19.430 1.00 26.53 N ATOM 68 H HIS A 844 -7.020 -13.345 -18.656 1.00 0.00 H ATOM 69 N SER A 845 -4.135 -11.116 -19.383 1.00 17.35 N ATOM 70 CA SER A 845 -2.816 -11.052 -18.739 1.00 18.85 C ATOM 71 C SER A 845 -2.597 -9.636 -18.199 1.00 20.10 C ATOM 72 O SER A 845 -2.668 -8.694 -18.959 1.00 19.95 O ATOM 73 CB SER A 845 -1.760 -11.465 -19.751 1.00 23.24 C ATOM 74 OG SER A 845 -0.545 -11.574 -19.042 1.00 30.92 O ATOM 75 HG SER A 845 0.176 -11.843 -19.665 1.00 0.00 H ATOM 76 H SER A 845 -4.201 -10.885 -20.395 1.00 0.00 H ATOM 77 N ILE A 846 -2.364 -9.494 -16.886 1.00 21.50 N ATOM 78 CA ILE A 846 -2.274 -8.169 -16.248 1.00 21.74 C ATOM 79 C ILE A 846 -0.901 -8.056 -15.531 1.00 24.54 C ATOM 80 O ILE A 846 -0.482 -9.016 -14.874 1.00 24.10 O ATOM 81 CB ILE A 846 -3.454 -7.981 -15.265 1.00 23.16 C ATOM 82 CG1 ILE A 846 -4.819 -7.947 -16.011 1.00 23.56 C ATOM 83 CG2 ILE A 846 -3.294 -6.705 -14.476 1.00 26.59 C ATOM 84 CD1 ILE A 846 -6.106 -7.677 -15.203 1.00 28.43 C ATOM 85 H ILE A 846 -2.243 -10.345 -16.300 1.00 0.00 H ATOM 86 N HIS A 847 -0.219 -6.909 -15.650 1.00 24.70 N ATOM 87 CA HIS A 847 0.955 -6.614 -14.804 1.00 26.29 C ATOM 88 C HIS A 847 0.744 -5.336 -14.039 1.00 29.81 C ATOM 89 O HIS A 847 0.470 -4.284 -14.652 1.00 32.12 O ATOM 90 CB HIS A 847 2.225 -6.523 -15.650 1.00 35.64 C ATOM 91 CG HIS A 847 3.488 -6.524 -14.822 1.00 37.83 C ATOM 92 ND1 HIS A 847 4.049 -5.391 -14.354 1.00 43.37 N ATOM 93 CD2 HIS A 847 4.268 -7.583 -14.340 1.00 50.06 C ATOM 94 CE1 HIS A 847 5.135 -5.694 -13.627 1.00 44.39 C ATOM 95 NE2 HIS A 847 5.268 -7.042 -13.609 1.00 49.00 N ATOM 96 H HIS A 847 -0.524 -6.209 -16.356 1.00 0.00 H ATOM 97 N ILE A 848 0.819 -5.400 -12.696 1.00 25.04 N ATOM 98 CA ILE A 848 0.637 -4.224 -11.863 1.00 27.05 C ATOM 99 C ILE A 848 1.889 -3.987 -11.029 1.00 29.44 C ATOM 100 O ILE A 848 2.539 -4.939 -10.522 1.00 24.15 O ATOM 101 CB ILE A 848 -0.551 -4.325 -10.885 1.00 27.64 C ATOM 102 CG1 ILE A 848 -1.645 -5.274 -11.389 1.00 29.55 C ATOM 103 CG2 ILE A 848 -1.090 -2.926 -10.528 1.00 32.13 C ATOM 104 CD1 ILE A 848 -2.872 -5.393 -10.470 1.00 32.25 C ATOM 105 H ILE A 848 1.012 -6.316 -12.243 1.00 0.00 H ATOM 106 N GLU A 849 2.197 -2.707 -10.855 1.00 30.66 N ATOM 107 CA GLU A 849 3.369 -2.296 -10.052 1.00 36.22 C ATOM 108 C GLU A 849 2.984 -1.200 -9.060 1.00 35.39 C ATOM 109 O GLU A 849 2.075 -0.438 -9.338 1.00 37.21 O ATOM 110 CB GLU A 849 4.433 -1.718 -10.982 1.00 41.88 C ATOM 111 CG GLU A 849 5.041 -2.687 -11.961 1.00 44.25 C ATOM 112 CD GLU A 849 6.481 -2.340 -12.185 1.00 54.00 C ATOM 113 OE1 GLU A 849 6.804 -1.133 -12.143 1.00 60.86 O ATOM 114 OE2 GLU A 849 7.294 -3.262 -12.377 1.00 65.04 O ATOM 115 H GLU A 849 1.600 -1.977 -11.294 1.00 0.00 H ATOM 116 N LYS A 850 3.654 -1.107 -7.913 1.00 42.50 N ATOM 117 CA LYS A 850 3.493 0.111 -7.062 1.00 45.80 C ATOM 118 C LYS A 850 4.594 1.145 -7.272 1.00 53.72 C ATOM 119 O LYS A 850 4.929 1.502 -8.420 1.00 60.02 O ATOM 120 CB LYS A 850 3.400 -0.233 -5.593 1.00 50.63 C ATOM 121 CG LYS A 850 2.279 -1.203 -5.285 1.00 48.95 C ATOM 122 CD LYS A 850 2.784 -2.224 -4.289 1.00 44.45 C ATOM 123 CE LYS A 850 1.655 -2.762 -3.439 1.00 45.01 C ATOM 124 NZ LYS A 850 2.256 -3.516 -2.307 1.00 40.36 N ATOM 125 HZ1 LYS A 850 2.832 -4.298 -2.680 1.00 0.00 H ATOM 126 HZ2 LYS A 850 2.857 -2.878 -1.747 1.00 0.00 H ATOM 127 HZ3 LYS A 850 1.498 -3.898 -1.705 1.00 0.00 H ATOM 128 H LYS A 850 4.285 -1.877 -7.611 1.00 0.00 H TER 129 LYS A 850 ATOM 130 N ALA A 855 3.894 1.590 0.902 1.00 53.88 N ATOM 131 CA ALA A 855 2.683 2.221 1.469 1.00 56.51 C ATOM 132 C ALA A 855 1.390 1.945 0.653 1.00 52.46 C ATOM 133 O ALA A 855 0.262 1.924 1.181 1.00 54.49 O ATOM 134 CB ALA A 855 2.916 3.726 1.628 1.00 50.85 C ATOM 135 HN3 ALA A 855 4.053 1.951 -0.060 1.00 0.00 H ATOM 136 HN2 ALA A 855 3.763 0.559 0.870 1.00 0.00 H ATOM 137 HN1 ALA A 855 4.714 1.818 1.499 1.00 0.00 H ATOM 138 N ASP A 856 1.580 1.764 -0.648 1.00 51.59 N ATOM 139 CA ASP A 856 0.496 1.637 -1.605 1.00 46.36 C ATOM 140 C ASP A 856 -0.081 0.211 -1.587 1.00 41.70 C ATOM 141 O ASP A 856 0.606 -0.728 -1.183 1.00 33.14 O ATOM 142 CB ASP A 856 0.981 2.031 -3.020 1.00 53.67 C ATOM 143 H ASP A 856 2.557 1.710 -1.000 1.00 0.00 H ATOM 144 N THR A 857 -1.351 0.081 -1.976 1.00 36.69 N ATOM 145 CA THR A 857 -1.978 -1.223 -2.173 1.00 33.11 C ATOM 146 C THR A 857 -2.248 -1.396 -3.688 1.00 29.25 C ATOM 147 O THR A 857 -2.123 -0.445 -4.487 1.00 29.95 O ATOM 148 CB THR A 857 -3.262 -1.343 -1.340 1.00 35.83 C ATOM 149 OG1 THR A 857 -4.171 -0.285 -1.702 1.00 35.88 O ATOM 150 CG2 THR A 857 -2.963 -1.349 0.227 1.00 39.47 C ATOM 151 HG1 THR A 857 -4.998 -0.364 -1.164 1.00 0.00 H ATOM 152 H THR A 857 -1.914 0.939 -2.145 1.00 0.00 H ATOM 153 N TYR A 858 -2.557 -2.615 -4.109 1.00 28.20 N ATOM 154 CA TYR A 858 -2.984 -2.816 -5.492 1.00 27.19 C ATOM 155 C TYR A 858 -4.437 -2.496 -5.705 1.00 25.97 C ATOM 156 O TYR A 858 -4.829 -2.256 -6.844 1.00 29.03 O ATOM 157 CB TYR A 858 -2.780 -4.239 -5.905 1.00 26.39 C ATOM 158 CG TYR A 858 -1.339 -4.585 -6.056 1.00 28.16 C ATOM 159 CD1 TYR A 858 -0.582 -3.997 -7.047 1.00 28.70 C ATOM 160 CD2 TYR A 858 -0.742 -5.507 -5.200 1.00 26.48 C ATOM 161 CE1 TYR A 858 0.750 -4.336 -7.209 1.00 29.14 C ATOM 162 CE2 TYR A 858 0.615 -5.871 -5.354 1.00 29.39 C ATOM 163 CZ TYR A 858 1.335 -5.267 -6.364 1.00 30.33 C ATOM 164 OH TYR A 858 2.653 -5.587 -6.545 1.00 30.18 O ATOM 165 HH TYR A 858 3.160 -5.369 -5.723 1.00 0.00 H ATOM 166 H TYR A 858 -2.496 -3.424 -3.458 1.00 0.00 H ATOM 167 N GLY A 859 -5.232 -2.488 -4.636 1.00 24.75 N ATOM 168 CA GLY A 859 -6.661 -2.073 -4.715 1.00 25.52 C ATOM 169 C GLY A 859 -7.629 -3.082 -5.318 1.00 23.62 C ATOM 170 O GLY A 859 -8.411 -2.752 -6.202 1.00 24.06 O ATOM 171 H GLY A 859 -4.843 -2.781 -3.717 1.00 0.00 H ATOM 172 N PHE A 860 -7.605 -4.321 -4.818 1.00 22.73 N ATOM 173 CA PHE A 860 -8.607 -5.342 -5.137 1.00 24.36 C ATOM 174 C PHE A 860 -8.639 -6.343 -3.977 1.00 22.55 C ATOM 175 O PHE A 860 -7.662 -6.460 -3.209 1.00 26.53 O ATOM 176 CB PHE A 860 -8.320 -6.070 -6.489 1.00 23.14 C ATOM 177 CG PHE A 860 -7.045 -6.901 -6.517 1.00 23.70 C ATOM 178 CD1 PHE A 860 -5.809 -6.305 -6.742 1.00 26.40 C ATOM 179 CD2 PHE A 860 -7.089 -8.305 -6.366 1.00 26.66 C ATOM 180 CE1 PHE A 860 -4.647 -7.053 -6.830 1.00 27.80 C ATOM 181 CE2 PHE A 860 -5.912 -9.068 -6.437 1.00 27.43 C ATOM 182 CZ PHE A 860 -4.692 -8.446 -6.673 1.00 27.90 C ATOM 183 H PHE A 860 -6.834 -4.574 -4.168 1.00 0.00 H ATOM 184 N SER A 861 -9.770 -6.968 -3.791 1.00 26.85 N ATOM 185 CA SER A 861 -9.839 -8.082 -2.835 1.00 27.38 C ATOM 186 C SER A 861 -10.090 -9.397 -3.569 1.00 29.48 C ATOM 187 O SER A 861 -10.704 -9.414 -4.635 1.00 28.24 O ATOM 188 CB SER A 861 -10.919 -7.851 -1.804 1.00 29.29 C ATOM 189 OG SER A 861 -12.208 -7.937 -2.375 1.00 35.67 O ATOM 190 HG SER A 861 -12.300 -7.252 -3.084 1.00 0.00 H ATOM 191 H SER A 861 -10.619 -6.679 -4.317 1.00 0.00 H ATOM 192 N LEU A 862 -9.641 -10.487 -2.967 1.00 24.31 N ATOM 193 CA LEU A 862 -9.621 -11.769 -3.597 1.00 26.04 C ATOM 194 C LEU A 862 -10.065 -12.851 -2.617 1.00 30.03 C ATOM 195 O LEU A 862 -9.547 -12.936 -1.505 1.00 28.34 O ATOM 196 CB LEU A 862 -8.176 -11.989 -4.012 1.00 27.51 C ATOM 197 CG LEU A 862 -7.750 -13.345 -4.478 1.00 33.27 C ATOM 198 CD1 LEU A 862 -8.335 -13.588 -5.870 1.00 36.08 C ATOM 199 CD2 LEU A 862 -6.240 -13.371 -4.408 1.00 31.90 C ATOM 200 H LEU A 862 -9.287 -10.407 -1.992 1.00 0.00 H ATOM 201 N SER A 863 -10.993 -13.695 -3.035 1.00 27.44 N ATOM 202 CA SER A 863 -11.510 -14.717 -2.172 1.00 30.26 C ATOM 203 C SER A 863 -10.886 -16.077 -2.529 1.00 29.67 C ATOM 204 O SER A 863 -10.789 -16.437 -3.691 1.00 26.99 O ATOM 205 CB SER A 863 -13.024 -14.733 -2.354 1.00 32.14 C ATOM 206 OG SER A 863 -13.597 -15.877 -1.739 1.00 51.54 O ATOM 207 HG SER A 863 -14.578 -15.864 -1.871 1.00 0.00 H ATOM 208 H SER A 863 -11.354 -13.616 -4.007 1.00 0.00 H ATOM 209 N SER A 864 -10.470 -16.840 -1.538 1.00 27.80 N ATOM 210 CA SER A 864 -10.116 -18.222 -1.758 1.00 27.98 C ATOM 211 C SER A 864 -11.320 -19.187 -1.408 1.00 27.38 C ATOM 212 O SER A 864 -11.904 -19.106 -0.313 1.00 29.47 O ATOM 213 CB SER A 864 -8.852 -18.523 -0.947 1.00 30.48 C ATOM 214 OG SER A 864 -8.457 -19.844 -1.207 1.00 36.14 O ATOM 215 HG SER A 864 -7.640 -20.051 -0.688 1.00 0.00 H ATOM 216 H SER A 864 -10.396 -16.439 -0.581 1.00 0.00 H ATOM 217 N VAL A 865 -11.709 -20.057 -2.334 1.00 25.24 N ATOM 218 CA VAL A 865 -12.940 -20.886 -2.219 1.00 33.56 C ATOM 219 C VAL A 865 -12.700 -22.310 -2.693 1.00 38.76 C ATOM 220 O VAL A 865 -11.887 -22.523 -3.568 1.00 33.40 O ATOM 221 CB VAL A 865 -14.081 -20.324 -3.109 1.00 36.51 C ATOM 222 CG1 VAL A 865 -15.166 -21.374 -3.351 1.00 45.36 C ATOM 223 CG2 VAL A 865 -14.670 -19.035 -2.536 1.00 35.87 C ATOM 224 H VAL A 865 -11.121 -20.165 -3.185 1.00 0.00 H ATOM 225 N GLU A 866 -13.407 -23.287 -2.118 1.00 48.44 N ATOM 226 CA GLU A 866 -13.508 -24.636 -2.718 1.00 56.73 C ATOM 227 C GLU A 866 -14.965 -25.073 -2.980 1.00 62.88 C ATOM 228 O GLU A 866 -15.920 -24.377 -2.563 1.00 63.00 O ATOM 229 CB GLU A 866 -12.709 -25.695 -1.950 1.00 49.08 C ATOM 230 H GLU A 866 -13.900 -23.094 -1.223 1.00 0.00 H ATOM 231 N GLU A 867 -15.102 -26.217 -3.683 1.00 68.87 N ATOM 232 CA GLU A 867 -16.390 -26.816 -4.122 1.00 65.12 C ATOM 233 C GLU A 867 -16.303 -28.338 -4.271 1.00 65.26 C ATOM 234 O GLU A 867 -15.555 -28.856 -5.114 1.00 64.41 O ATOM 235 CB GLU A 867 -16.821 -26.234 -5.465 1.00 64.44 C ATOM 236 CG GLU A 867 -17.543 -24.902 -5.375 1.00 71.86 C ATOM 237 CD GLU A 867 -17.326 -24.024 -6.601 1.00 73.24 C ATOM 238 OE1 GLU A 867 -16.158 -23.648 -6.902 1.00 72.63 O ATOM 239 OE2 GLU A 867 -18.334 -23.692 -7.255 1.00 66.37 O ATOM 240 H GLU A 867 -14.231 -26.724 -3.940 1.00 0.00 H TER 241 GLU A 867 ATOM 242 N ILE A 870 -11.623 -28.761 -5.528 1.00 56.04 N ATOM 243 CA ILE A 870 -11.566 -27.656 -6.488 1.00 48.76 C ATOM 244 C ILE A 870 -11.497 -26.287 -5.771 1.00 45.65 C ATOM 245 O ILE A 870 -12.510 -25.595 -5.533 1.00 43.40 O ATOM 246 CB ILE A 870 -12.726 -27.712 -7.516 1.00 46.22 C ATOM 247 HN3 ILE A 870 -12.469 -28.657 -4.932 1.00 0.00 H ATOM 248 HN2 ILE A 870 -10.772 -28.744 -4.930 1.00 0.00 H ATOM 249 HN1 ILE A 870 -11.668 -29.664 -6.043 1.00 0.00 H ATOM 250 N ARG A 871 -10.268 -25.933 -5.419 1.00 41.00 N ATOM 251 CA ARG A 871 -9.903 -24.648 -4.841 1.00 43.54 C ATOM 252 C ARG A 871 -9.920 -23.543 -5.960 1.00 40.52 C ATOM 253 O ARG A 871 -9.503 -23.815 -7.068 1.00 42.06 O ATOM 254 CB ARG A 871 -8.483 -24.847 -4.313 1.00 48.32 C ATOM 255 CG ARG A 871 -7.773 -23.651 -3.755 1.00 52.67 C ATOM 256 CD ARG A 871 -6.347 -23.699 -4.257 1.00 57.57 C ATOM 257 NE ARG A 871 -5.514 -22.754 -3.527 1.00 71.94 N ATOM 258 CZ ARG A 871 -5.826 -21.472 -3.330 1.00 78.76 C ATOM 259 NH1 ARG A 871 -6.966 -20.984 -3.808 1.00 84.42 N ATOM 260 NH2 ARG A 871 -5.008 -20.673 -2.648 1.00 77.71 N ATOM 261 HE ARG A 871 -4.616 -23.101 -3.133 1.00 0.00 H ATOM 262 HH12 ARG A 871 -7.209 -19.985 -3.654 1.00 0.00 H ATOM 263 HH11 ARG A 871 -7.615 -21.602 -4.336 1.00 0.00 H ATOM 264 HH22 ARG A 871 -5.260 -19.675 -2.500 1.00 0.00 H ATOM 265 HH21 ARG A 871 -4.117 -21.047 -2.264 1.00 0.00 H ATOM 266 H ARG A 871 -9.507 -26.626 -5.567 1.00 0.00 H ATOM 267 N ARG A 872 -10.387 -22.319 -5.697 1.00 38.44 N ATOM 268 CA ARG A 872 -10.344 -21.249 -6.721 1.00 32.46 C ATOM 269 C ARG A 872 -10.201 -19.903 -6.099 1.00 26.22 C ATOM 270 O ARG A 872 -10.518 -19.695 -4.930 1.00 27.56 O ATOM 271 CB ARG A 872 -11.603 -21.221 -7.602 1.00 35.13 C ATOM 272 CG ARG A 872 -11.860 -22.442 -8.465 1.00 44.25 C ATOM 273 CD ARG A 872 -13.335 -22.751 -8.436 1.00 45.12 C ATOM 274 NE ARG A 872 -13.638 -23.791 -9.404 1.00 57.21 N ATOM 275 CZ ARG A 872 -13.754 -23.581 -10.708 1.00 53.52 C ATOM 276 NH1 ARG A 872 -13.607 -22.362 -11.208 1.00 47.00 N ATOM 277 NH2 ARG A 872 -14.022 -24.601 -11.508 1.00 58.21 N ATOM 278 HE ARG A 872 -13.772 -24.760 -9.052 1.00 0.00 H ATOM 279 HH12 ARG A 872 -13.699 -22.205 -12.232 1.00 0.00 H ATOM 280 HH11 ARG A 872 -13.399 -21.562 -10.576 1.00 0.00 H ATOM 281 HH22 ARG A 872 -14.115 -24.448 -12.532 1.00 0.00 H ATOM 282 HH21 ARG A 872 -14.139 -25.556 -11.112 1.00 0.00 H ATOM 283 H ARG A 872 -10.787 -22.114 -4.759 1.00 0.00 H ATOM 284 N LEU A 873 -9.737 -18.972 -6.917 1.00 23.89 N ATOM 285 CA LEU A 873 -9.316 -17.683 -6.479 1.00 22.41 C ATOM 286 C LEU A 873 -10.123 -16.714 -7.293 1.00 22.22 C ATOM 287 O LEU A 873 -9.973 -16.706 -8.506 1.00 24.02 O ATOM 288 CB LEU A 873 -7.789 -17.468 -6.751 1.00 23.09 C ATOM 289 CG LEU A 873 -6.831 -18.034 -5.727 1.00 26.62 C ATOM 290 CD1 LEU A 873 -5.359 -17.656 -5.969 1.00 25.70 C ATOM 291 CD2 LEU A 873 -7.251 -17.568 -4.330 1.00 30.67 C ATOM 292 H LEU A 873 -9.676 -19.192 -7.932 1.00 0.00 H ATOM 293 N TYR A 874 -11.023 -15.954 -6.672 1.00 22.74 N ATOM 294 CA TYR A 874 -11.849 -15.016 -7.422 1.00 23.67 C ATOM 295 C TYR A 874 -11.700 -13.621 -6.958 1.00 27.30 C ATOM 296 O TYR A 874 -11.671 -13.334 -5.751 1.00 32.24 O ATOM 297 CB TYR A 874 -13.327 -15.255 -7.233 1.00 27.56 C ATOM 298 CG TYR A 874 -13.865 -16.532 -7.773 1.00 33.72 C ATOM 299 CD1 TYR A 874 -14.377 -16.617 -9.098 1.00 39.21 C ATOM 300 CD2 TYR A 874 -13.940 -17.634 -6.966 1.00 36.44 C ATOM 301 CE1 TYR A 874 -14.926 -17.802 -9.581 1.00 36.01 C ATOM 302 CE2 TYR A 874 -14.485 -18.812 -7.437 1.00 41.90 C ATOM 303 CZ TYR A 874 -14.965 -18.896 -8.727 1.00 39.75 C ATOM 304 OH TYR A 874 -15.489 -20.125 -9.096 1.00 46.36 O ATOM 305 HH TYR A 874 -15.804 -20.080 -10.034 1.00 0.00 H ATOM 306 H TYR A 874 -11.138 -16.030 -5.641 1.00 0.00 H ATOM 307 N VAL A 875 -11.695 -12.702 -7.908 1.00 24.14 N ATOM 308 CA VAL A 875 -11.705 -11.314 -7.523 1.00 26.10 C ATOM 309 C VAL A 875 -13.105 -10.878 -7.011 1.00 28.71 C ATOM 310 O VAL A 875 -14.074 -10.859 -7.795 1.00 32.14 O ATOM 311 CB VAL A 875 -11.230 -10.459 -8.708 1.00 24.14 C ATOM 312 CG1 VAL A 875 -11.362 -8.975 -8.369 1.00 27.13 C ATOM 313 CG2 VAL A 875 -9.802 -10.868 -9.082 1.00 26.67 C ATOM 314 H VAL A 875 -11.684 -12.975 -8.911 1.00 0.00 H ATOM 315 N ASN A 876 -13.229 -10.541 -5.710 1.00 33.64 N ATOM 316 CA ASN A 876 -14.504 -9.968 -5.146 1.00 36.77 C ATOM 317 C ASN A 876 -14.772 -8.534 -5.538 1.00 37.29 C ATOM 318 O ASN A 876 -15.922 -8.153 -5.857 1.00 37.02 O ATOM 319 CB ASN A 876 -14.549 -10.000 -3.617 1.00 40.75 C ATOM 320 CG ASN A 876 -14.162 -11.332 -3.078 1.00 45.22 C ATOM 321 OD1 ASN A 876 -12.982 -11.669 -3.037 1.00 50.68 O ATOM 322 ND2 ASN A 876 -15.151 -12.131 -2.713 1.00 50.94 N ATOM 323 HD22 ASN A 876 -16.135 -11.798 -2.766 1.00 0.00 H ATOM 324 HD21 ASN A 876 -14.945 -13.092 -2.373 1.00 0.00 H ATOM 325 H ASN A 876 -12.417 -10.681 -5.075 1.00 0.00 H ATOM 326 N SER A 877 -13.751 -7.696 -5.476 1.00 32.52 N ATOM 327 CA SER A 877 -14.029 -6.311 -5.798 1.00 32.67 C ATOM 328 C SER A 877 -12.737 -5.640 -6.160 1.00 32.55 C ATOM 329 O SER A 877 -11.679 -6.174 -5.891 1.00 28.27 O ATOM 330 CB SER A 877 -14.673 -5.558 -4.629 1.00 35.46 C ATOM 331 OG SER A 877 -13.706 -5.402 -3.620 1.00 37.89 O ATOM 332 HG SER A 877 -13.396 -6.293 -3.321 1.00 0.00 H ATOM 333 H SER A 877 -12.797 -8.015 -5.210 1.00 0.00 H ATOM 334 N VAL A 878 -12.865 -4.470 -6.778 1.00 33.00 N ATOM 335 CA VAL A 878 -11.755 -3.706 -7.329 1.00 30.94 C ATOM 336 C VAL A 878 -12.034 -2.282 -6.952 1.00 30.56 C ATOM 337 O VAL A 878 -13.126 -1.774 -7.198 1.00 31.93 O ATOM 338 CB VAL A 878 -11.718 -3.862 -8.856 1.00 31.59 C ATOM 339 CG1 VAL A 878 -10.684 -2.940 -9.480 1.00 31.91 C ATOM 340 CG2 VAL A 878 -11.492 -5.336 -9.225 1.00 29.78 C ATOM 341 H VAL A 878 -13.822 -4.074 -6.874 1.00 0.00 H ATOM 342 N LYS A 879 -11.076 -1.654 -6.305 1.00 29.35 N ATOM 343 CA LYS A 879 -11.291 -0.281 -5.893 1.00 35.50 C ATOM 344 C LYS A 879 -11.334 0.662 -7.106 1.00 39.20 C ATOM 345 O LYS A 879 -10.356 0.771 -7.877 1.00 39.06 O ATOM 346 CB LYS A 879 -10.249 0.159 -4.852 1.00 36.55 C ATOM 347 H LYS A 879 -10.179 -2.135 -6.093 1.00 0.00 H ATOM 348 N GLU A 880 -12.463 1.368 -7.257 1.00 40.01 N ATOM 349 CA GLU A 880 -12.547 2.403 -8.318 1.00 43.31 C ATOM 350 C GLU A 880 -11.359 3.343 -8.117 1.00 40.55 C ATOM 351 O GLU A 880 -11.068 3.733 -6.988 1.00 50.13 O ATOM 352 CB GLU A 880 -13.909 3.157 -8.302 1.00 39.09 C ATOM 353 H GLU A 880 -13.277 1.192 -6.634 1.00 0.00 H ATOM 354 N THR A 881 -10.644 3.628 -9.200 1.00 39.49 N ATOM 355 CA THR A 881 -9.498 4.579 -9.232 1.00 44.47 C ATOM 356 C THR A 881 -8.139 3.949 -8.753 1.00 42.86 C ATOM 357 O THR A 881 -7.039 4.526 -8.950 1.00 40.87 O ATOM 358 CB THR A 881 -9.832 6.027 -8.653 1.00 44.15 C ATOM 359 OG1 THR A 881 -9.449 6.127 -7.282 1.00 47.60 O ATOM 360 CG2 THR A 881 -11.323 6.377 -8.755 1.00 40.17 C ATOM 361 HG1 THR A 881 -9.941 5.450 -6.753 1.00 0.00 H ATOM 362 H THR A 881 -10.903 3.153 -10.088 1.00 0.00 H ATOM 363 N GLY A 882 -8.235 2.728 -8.198 1.00 38.94 N ATOM 364 CA GLY A 882 -7.066 1.970 -7.760 1.00 32.33 C ATOM 365 C GLY A 882 -6.214 1.366 -8.875 1.00 31.56 C ATOM 366 O GLY A 882 -6.600 1.379 -10.035 1.00 32.49 O ATOM 367 H GLY A 882 -9.178 2.307 -8.076 1.00 0.00 H ATOM 368 N LEU A 883 -5.075 0.787 -8.512 1.00 29.07 N ATOM 369 CA LEU A 883 -4.068 0.432 -9.492 1.00 30.13 C ATOM 370 C LEU A 883 -4.585 -0.749 -10.338 1.00 27.53 C ATOM 371 O LEU A 883 -4.451 -0.769 -11.561 1.00 30.49 O ATOM 372 CB LEU A 883 -2.721 0.148 -8.835 1.00 29.21 C ATOM 373 CG LEU A 883 -1.755 1.326 -8.522 1.00 34.85 C ATOM 374 CD1 LEU A 883 -0.596 0.790 -7.716 1.00 32.16 C ATOM 375 CD2 LEU A 883 -1.186 1.994 -9.765 1.00 31.29 C ATOM 376 H LEU A 883 -4.903 0.585 -7.507 1.00 0.00 H ATOM 377 N ALA A 884 -5.240 -1.684 -9.694 1.00 24.11 N ATOM 378 CA ALA A 884 -5.810 -2.848 -10.401 1.00 25.07 C ATOM 379 C ALA A 884 -6.906 -2.404 -11.355 1.00 26.42 C ATOM 380 O ALA A 884 -6.970 -2.921 -12.445 1.00 26.80 O ATOM 381 CB ALA A 884 -6.367 -3.849 -9.432 1.00 23.79 C ATOM 382 H ALA A 884 -5.361 -1.604 -8.664 1.00 0.00 H ATOM 383 N SER A 885 -7.720 -1.411 -10.962 1.00 25.38 N ATOM 384 CA SER A 885 -8.773 -0.878 -11.852 1.00 28.43 C ATOM 385 C SER A 885 -8.200 -0.222 -13.161 1.00 30.46 C ATOM 386 O SER A 885 -8.558 -0.603 -14.272 1.00 25.97 O ATOM 387 CB SER A 885 -9.687 0.086 -11.111 1.00 26.69 C ATOM 388 OG SER A 885 -10.733 0.376 -11.998 1.00 34.00 O ATOM 389 HG SER A 885 -11.207 -0.461 -12.233 1.00 0.00 H ATOM 390 H SER A 885 -7.607 -1.008 -10.010 1.00 0.00 H ATOM 391 N LYS A 886 -7.256 0.712 -13.031 1.00 27.92 N ATOM 392 CA LYS A 886 -6.534 1.235 -14.228 1.00 30.51 C ATOM 393 C LYS A 886 -5.937 0.128 -15.120 1.00 33.08 C ATOM 394 O LYS A 886 -5.687 0.371 -16.315 1.00 28.70 O ATOM 395 CB LYS A 886 -5.388 2.171 -13.836 1.00 33.45 C ATOM 396 CG LYS A 886 -5.762 3.295 -12.873 1.00 32.10 C ATOM 397 CD LYS A 886 -4.481 4.080 -12.590 1.00 36.03 C ATOM 398 CE LYS A 886 -4.636 5.103 -11.489 1.00 42.69 C ATOM 399 NZ LYS A 886 -5.911 5.860 -11.719 1.00 41.03 N ATOM 400 HZ1 LYS A 886 -5.869 6.336 -12.643 1.00 0.00 H ATOM 401 HZ2 LYS A 886 -6.713 5.198 -11.705 1.00 0.00 H ATOM 402 HZ3 LYS A 886 -6.032 6.569 -10.968 1.00 0.00 H ATOM 403 H LYS A 886 -7.021 1.079 -12.087 1.00 0.00 H ATOM 404 N LYS A 887 -5.657 -1.060 -14.563 1.00 30.83 N ATOM 405 CA LYS A 887 -5.217 -2.183 -15.412 1.00 33.59 C ATOM 406 C LYS A 887 -6.373 -3.036 -15.995 1.00 32.51 C ATOM 407 O LYS A 887 -6.156 -3.976 -16.764 1.00 34.11 O ATOM 408 CB LYS A 887 -4.118 -3.042 -14.732 1.00 33.89 C ATOM 409 CG LYS A 887 -2.743 -2.386 -14.658 1.00 35.65 C ATOM 410 CD LYS A 887 -2.291 -1.911 -16.029 1.00 40.40 C ATOM 411 CE LYS A 887 -0.821 -1.606 -16.106 1.00 42.30 C ATOM 412 NZ LYS A 887 -0.483 -0.473 -15.220 1.00 45.75 N ATOM 413 HZ1 LYS A 887 -1.020 0.368 -15.514 1.00 0.00 H ATOM 414 HZ2 LYS A 887 -0.728 -0.716 -14.239 1.00 0.00 H ATOM 415 HZ3 LYS A 887 0.536 -0.276 -15.285 1.00 0.00 H ATOM 416 H LYS A 887 -5.750 -1.189 -13.535 1.00 0.00 H ATOM 417 N GLY A 888 -7.605 -2.710 -15.653 1.00 31.10 N ATOM 418 CA GLY A 888 -8.735 -3.423 -16.226 1.00 32.21 C ATOM 419 C GLY A 888 -9.046 -4.741 -15.533 1.00 28.93 C ATOM 420 O GLY A 888 -9.706 -5.573 -16.109 1.00 31.41 O ATOM 421 H GLY A 888 -7.768 -1.941 -14.972 1.00 0.00 H ATOM 422 N LEU A 889 -8.625 -4.896 -14.276 1.00 25.99 N ATOM 423 CA LEU A 889 -9.171 -5.934 -13.416 1.00 25.98 C ATOM 424 C LEU A 889 -10.655 -5.688 -13.041 1.00 27.49 C ATOM 425 O LEU A 889 -11.047 -4.570 -12.740 1.00 27.13 O ATOM 426 CB LEU A 889 -8.309 -6.141 -12.196 1.00 23.56 C ATOM 427 CG LEU A 889 -8.524 -7.525 -11.539 1.00 24.18 C ATOM 428 CD1 LEU A 889 -8.091 -8.726 -12.396 1.00 22.59 C ATOM 429 CD2 LEU A 889 -7.720 -7.501 -10.280 1.00 24.38 C ATOM 430 H LEU A 889 -7.891 -4.261 -13.903 1.00 0.00 H ATOM 431 N LYS A 890 -11.478 -6.723 -13.122 1.00 25.68 N ATOM 432 CA LYS A 890 -12.911 -6.552 -12.903 1.00 29.04 C ATOM 433 C LYS A 890 -13.350 -7.472 -11.811 1.00 29.14 C ATOM 434 O LYS A 890 -12.856 -8.580 -11.709 1.00 26.90 O ATOM 435 CB LYS A 890 -13.734 -6.879 -14.160 1.00 33.15 C ATOM 436 CG LYS A 890 -13.406 -6.085 -15.439 1.00 38.77 C ATOM 437 CD LYS A 890 -13.542 -4.580 -15.238 1.00 39.15 C ATOM 438 CE LYS A 890 -14.879 -4.072 -15.745 1.00 41.80 C ATOM 439 NZ LYS A 890 -15.159 -2.712 -15.183 1.00 46.64 N ATOM 440 HZ1 LYS A 890 -15.185 -2.766 -14.145 1.00 0.00 H ATOM 441 HZ2 LYS A 890 -14.409 -2.055 -15.479 1.00 0.00 H ATOM 442 HZ3 LYS A 890 -16.077 -2.374 -15.537 1.00 0.00 H ATOM 443 H LYS A 890 -11.100 -7.666 -13.344 1.00 0.00 H ATOM 444 N ALA A 891 -14.274 -7.035 -10.969 1.00 29.10 N ATOM 445 CA ALA A 891 -14.877 -8.001 -10.011 1.00 25.73 C ATOM 446 C ALA A 891 -15.502 -9.203 -10.738 1.00 27.71 C ATOM 447 O ALA A 891 -16.051 -9.059 -11.864 1.00 32.18 O ATOM 448 CB ALA A 891 -15.903 -7.298 -9.109 1.00 30.39 C ATOM 449 H ALA A 891 -14.572 -6.039 -10.977 1.00 0.00 H ATOM 450 N GLY A 892 -15.424 -10.381 -10.111 1.00 27.68 N ATOM 451 CA GLY A 892 -15.835 -11.653 -10.705 1.00 28.00 C ATOM 452 C GLY A 892 -14.824 -12.344 -11.640 1.00 28.33 C ATOM 453 O GLY A 892 -15.102 -13.463 -12.119 1.00 26.54 O ATOM 454 H GLY A 892 -15.048 -10.394 -9.141 1.00 0.00 H ATOM 455 N ASP A 893 -13.672 -11.694 -11.953 1.00 26.32 N ATOM 456 CA ASP A 893 -12.604 -12.355 -12.714 1.00 24.86 C ATOM 457 C ASP A 893 -12.116 -13.518 -11.854 1.00 22.74 C ATOM 458 O ASP A 893 -12.070 -13.393 -10.626 1.00 25.56 O ATOM 459 CB ASP A 893 -11.419 -11.394 -12.929 1.00 25.58 C ATOM 460 CG ASP A 893 -11.654 -10.363 -14.079 1.00 29.42 C ATOM 461 OD1 ASP A 893 -12.689 -10.435 -14.764 1.00 35.84 O ATOM 462 OD2 ASP A 893 -10.798 -9.457 -14.308 1.00 31.14 O ATOM 463 H ASP A 893 -13.544 -10.708 -11.647 1.00 0.00 H ATOM 464 N GLU A 894 -11.740 -14.637 -12.461 1.00 20.85 N ATOM 465 CA GLU A 894 -11.135 -15.732 -11.662 1.00 23.24 C ATOM 466 C GLU A 894 -9.631 -15.709 -11.874 1.00 22.84 C ATOM 467 O GLU A 894 -9.205 -15.710 -13.004 1.00 22.69 O ATOM 468 CB GLU A 894 -11.709 -17.072 -12.061 1.00 26.12 C ATOM 469 CG GLU A 894 -10.833 -18.239 -11.664 1.00 27.41 C ATOM 470 CD GLU A 894 -11.426 -19.587 -12.010 1.00 32.23 C ATOM 471 OE1 GLU A 894 -12.333 -19.615 -12.892 1.00 38.19 O ATOM 472 OE2 GLU A 894 -11.004 -20.612 -11.398 1.00 30.98 O ATOM 473 H GLU A 894 -11.868 -14.746 -13.487 1.00 0.00 H ATOM 474 N ILE A 895 -8.836 -15.715 -10.806 1.00 23.52 N ATOM 475 CA ILE A 895 -7.365 -15.735 -10.949 1.00 24.18 C ATOM 476 C ILE A 895 -6.855 -17.147 -11.272 1.00 24.07 C ATOM 477 O ILE A 895 -7.053 -18.061 -10.517 1.00 25.83 O ATOM 478 CB ILE A 895 -6.663 -15.125 -9.734 1.00 23.53 C ATOM 479 CG1 ILE A 895 -6.956 -13.612 -9.642 1.00 23.98 C ATOM 480 CG2 ILE A 895 -5.137 -15.267 -9.933 1.00 25.67 C ATOM 481 CD1 ILE A 895 -6.655 -13.023 -8.297 1.00 27.23 C ATOM 482 H ILE A 895 -9.257 -15.705 -9.855 1.00 0.00 H ATOM 483 N LEU A 896 -6.212 -17.303 -12.433 1.00 22.81 N ATOM 484 CA LEU A 896 -5.698 -18.583 -12.902 1.00 25.08 C ATOM 485 C LEU A 896 -4.222 -18.752 -12.611 1.00 27.29 C ATOM 486 O LEU A 896 -3.759 -19.851 -12.364 1.00 34.84 O ATOM 487 CB LEU A 896 -5.961 -18.754 -14.414 1.00 24.00 C ATOM 488 CG LEU A 896 -7.450 -18.526 -14.893 1.00 25.52 C ATOM 489 CD1 LEU A 896 -7.474 -18.570 -16.392 1.00 23.88 C ATOM 490 CD2 LEU A 896 -8.516 -19.482 -14.318 1.00 30.55 C ATOM 491 H LEU A 896 -6.071 -16.466 -13.034 1.00 0.00 H ATOM 492 N GLU A 897 -3.459 -17.685 -12.657 1.00 24.51 N ATOM 493 CA GLU A 897 -2.030 -17.803 -12.432 1.00 23.71 C ATOM 494 C GLU A 897 -1.574 -16.517 -11.839 1.00 26.70 C ATOM 495 O GLU A 897 -2.087 -15.446 -12.178 1.00 24.39 O ATOM 496 CB GLU A 897 -1.270 -18.074 -13.711 1.00 24.13 C ATOM 497 H GLU A 897 -3.879 -16.754 -12.855 1.00 0.00 H ATOM 498 N ILE A 898 -0.610 -16.620 -10.941 1.00 24.51 N ATOM 499 CA ILE A 898 0.004 -15.426 -10.365 1.00 25.40 C ATOM 500 C ILE A 898 1.510 -15.601 -10.502 1.00 28.08 C ATOM 501 O ILE A 898 2.033 -16.629 -10.049 1.00 25.45 O ATOM 502 CB ILE A 898 -0.350 -15.283 -8.870 1.00 26.83 C ATOM 503 CG1 ILE A 898 -1.855 -15.052 -8.654 1.00 24.45 C ATOM 504 CG2 ILE A 898 0.449 -14.124 -8.224 1.00 28.14 C ATOM 505 CD1 ILE A 898 -2.223 -14.991 -7.183 1.00 25.11 C ATOM 506 H ILE A 898 -0.285 -17.561 -10.641 1.00 0.00 H ATOM 507 N ASN A 899 2.199 -14.614 -11.082 1.00 24.89 N ATOM 508 CA ASN A 899 3.665 -14.696 -11.324 1.00 29.52 C ATOM 509 C ASN A 899 4.105 -16.039 -11.917 1.00 32.05 C ATOM 510 O ASN A 899 4.989 -16.725 -11.354 1.00 31.19 O ATOM 511 CB ASN A 899 4.473 -14.461 -10.061 1.00 28.95 C ATOM 512 CG ASN A 899 4.185 -13.144 -9.424 1.00 26.08 C ATOM 513 OD1 ASN A 899 3.940 -12.154 -10.085 1.00 25.79 O ATOM 514 ND2 ASN A 899 4.248 -13.125 -8.107 1.00 32.95 N ATOM 515 HD22 ASN A 899 4.461 -13.998 -7.584 1.00 0.00 H ATOM 516 HD21 ASN A 899 4.085 -12.237 -7.591 1.00 0.00 H ATOM 517 H ASN A 899 1.691 -13.755 -11.376 1.00 0.00 H ATOM 518 N ASN A 900 3.441 -16.425 -12.999 1.00 34.77 N ATOM 519 CA ASN A 900 3.783 -17.614 -13.728 1.00 36.04 C ATOM 520 C ASN A 900 3.650 -18.873 -12.901 1.00 34.46 C ATOM 521 O ASN A 900 4.298 -19.834 -13.234 1.00 44.37 O ATOM 522 CB ASN A 900 5.235 -17.505 -14.221 1.00 42.95 C ATOM 523 CG ASN A 900 5.416 -16.470 -15.291 1.00 41.30 C ATOM 524 OD1 ASN A 900 4.974 -16.665 -16.422 1.00 54.50 O ATOM 525 ND2 ASN A 900 6.105 -15.372 -14.958 1.00 48.33 N ATOM 526 HD22 ASN A 900 6.458 -15.254 -13.987 1.00 0.00 H ATOM 527 HD21 ASN A 900 6.288 -14.637 -15.670 1.00 0.00 H ATOM 528 H ASN A 900 2.644 -15.845 -13.331 1.00 0.00 H ATOM 529 N ARG A 901 2.832 -18.882 -11.851 1.00 29.77 N ATOM 530 CA ARG A 901 2.494 -20.110 -11.123 1.00 36.62 C ATOM 531 C ARG A 901 0.990 -20.366 -11.075 1.00 37.36 C ATOM 532 O ARG A 901 0.201 -19.441 -10.832 1.00 38.68 O ATOM 533 CB ARG A 901 3.032 -20.047 -9.688 1.00 37.83 C ATOM 534 CG ARG A 901 4.522 -20.357 -9.621 1.00 42.25 C ATOM 535 CD ARG A 901 5.303 -19.409 -8.730 1.00 48.62 C ATOM 536 NE ARG A 901 6.760 -19.601 -8.813 1.00 50.11 N ATOM 537 CZ ARG A 901 7.436 -20.619 -8.266 1.00 53.96 C ATOM 538 NH1 ARG A 901 6.798 -21.583 -7.594 1.00 49.49 N ATOM 539 NH2 ARG A 901 8.767 -20.680 -8.388 1.00 51.61 N ATOM 540 HE ARG A 901 7.308 -18.890 -9.338 1.00 0.00 H ATOM 541 HH12 ARG A 901 7.336 -22.368 -7.174 1.00 0.00 H ATOM 542 HH11 ARG A 901 5.764 -21.548 -7.491 1.00 0.00 H ATOM 543 HH22 ARG A 901 9.292 -21.471 -7.963 1.00 0.00 H ATOM 544 HH21 ARG A 901 9.276 -19.937 -8.908 1.00 0.00 H ATOM 545 H ARG A 901 2.416 -17.983 -11.534 1.00 0.00 H ATOM 546 N ALA A 902 0.596 -21.627 -11.265 1.00 31.40 N ATOM 547 CA ALA A 902 -0.787 -21.991 -11.303 1.00 29.49 C ATOM 548 C ALA A 902 -1.457 -21.723 -9.970 1.00 31.49 C ATOM 549 O ALA A 902 -0.845 -21.912 -8.928 1.00 30.49 O ATOM 550 CB ALA A 902 -0.924 -23.460 -11.718 1.00 32.27 C ATOM 551 H ALA A 902 1.316 -22.367 -11.389 1.00 0.00 H ATOM 552 N ALA A 903 -2.714 -21.289 -10.018 1.00 30.37 N ATOM 553 CA ALA A 903 -3.532 -20.955 -8.860 1.00 36.78 C ATOM 554 C ALA A 903 -3.619 -22.086 -7.844 1.00 43.82 C ATOM 555 O ALA A 903 -3.370 -21.896 -6.653 1.00 44.85 O ATOM 556 CB ALA A 903 -4.942 -20.585 -9.319 1.00 39.95 C ATOM 557 H ALA A 903 -3.147 -21.180 -10.957 1.00 0.00 H ATOM 558 N ASP A 904 -4.015 -23.259 -8.320 1.00 51.25 N ATOM 559 CA ASP A 904 -4.023 -24.449 -7.479 1.00 58.87 C ATOM 560 C ASP A 904 -2.750 -24.614 -6.663 1.00 53.85 C ATOM 561 O ASP A 904 -2.822 -24.789 -5.449 1.00 68.04 O ATOM 562 CB ASP A 904 -4.292 -25.713 -8.310 1.00 64.13 C ATOM 563 CG ASP A 904 -5.731 -26.154 -8.214 1.00 67.92 C ATOM 564 OD1 ASP A 904 -6.617 -25.261 -8.269 1.00 70.50 O ATOM 565 OD2 ASP A 904 -5.970 -27.375 -8.058 1.00 67.12 O ATOM 566 H ASP A 904 -4.325 -23.331 -9.310 1.00 0.00 H ATOM 567 N ALA A 905 -1.599 -24.538 -7.322 1.00 49.44 N ATOM 568 CA ALA A 905 -0.337 -24.768 -6.649 1.00 47.99 C ATOM 569 C ALA A 905 0.116 -23.652 -5.717 1.00 44.23 C ATOM 570 O ALA A 905 1.242 -23.712 -5.224 1.00 44.56 O ATOM 571 CB ALA A 905 0.758 -25.075 -7.662 1.00 52.32 C ATOM 572 H ALA A 905 -1.604 -24.310 -8.337 1.00 0.00 H ATOM 573 N LEU A 906 -0.724 -22.647 -5.453 1.00 38.29 N ATOM 574 CA LEU A 906 -0.344 -21.554 -4.517 1.00 41.00 C ATOM 575 C LEU A 906 -0.749 -21.760 -3.025 1.00 44.70 C ATOM 576 O LEU A 906 -1.951 -21.877 -2.728 1.00 45.36 O ATOM 577 CB LEU A 906 -0.897 -20.200 -5.000 1.00 37.92 C ATOM 578 CG LEU A 906 -0.457 -19.584 -6.326 1.00 34.55 C ATOM 579 CD1 LEU A 906 -1.323 -18.351 -6.609 1.00 32.51 C ATOM 580 CD2 LEU A 906 1.030 -19.251 -6.374 1.00 35.57 C ATOM 581 H LEU A 906 -1.659 -22.628 -5.909 1.00 0.00 H ATOM 582 N ASN A 907 0.242 -21.786 -2.105 1.00 46.05 N ATOM 583 CA ASN A 907 0.021 -21.746 -0.632 1.00 44.74 C ATOM 584 C ASN A 907 -0.625 -20.418 -0.209 1.00 44.68 C ATOM 585 O ASN A 907 -0.429 -19.382 -0.867 1.00 40.05 O ATOM 586 CB ASN A 907 1.369 -21.817 0.113 1.00 49.15 C ATOM 587 CG ASN A 907 2.164 -23.066 -0.214 1.00 53.25 C ATOM 588 OD1 ASN A 907 3.289 -22.980 -0.707 1.00 48.69 O ATOM 589 ND2 ASN A 907 1.578 -24.250 0.052 1.00 60.79 N ATOM 590 HD22 ASN A 907 0.626 -24.277 0.469 1.00 0.00 H ATOM 591 HD21 ASN A 907 2.078 -25.137 -0.160 1.00 0.00 H ATOM 592 H ASN A 907 1.222 -21.837 -2.448 1.00 0.00 H ATOM 593 N SER A 908 -1.336 -20.425 0.918 1.00 42.22 N ATOM 594 CA SER A 908 -1.626 -19.164 1.632 1.00 45.47 C ATOM 595 C SER A 908 -0.307 -18.384 1.884 1.00 41.13 C ATOM 596 O SER A 908 -0.292 -17.171 1.945 1.00 34.40 O ATOM 597 CB SER A 908 -2.403 -19.422 2.947 1.00 48.92 C ATOM 598 OG SER A 908 -3.133 -18.276 3.368 1.00 50.83 O ATOM 599 HG SER A 908 -3.613 -18.483 4.209 1.00 0.00 H ATOM 600 H SER A 908 -1.690 -21.326 1.298 1.00 0.00 H ATOM 601 N SER A 909 0.789 -19.114 1.975 1.00 41.27 N ATOM 602 CA SER A 909 2.096 -18.569 2.220 1.00 40.48 C ATOM 603 C SER A 909 2.714 -17.886 0.971 1.00 39.46 C ATOM 604 O SER A 909 3.179 -16.735 1.061 1.00 32.87 O ATOM 605 CB SER A 909 2.974 -19.709 2.766 1.00 49.99 C ATOM 606 OG SER A 909 4.343 -19.354 2.868 1.00 48.75 O ATOM 607 HG SER A 909 4.856 -20.122 3.223 1.00 0.00 H ATOM 608 H SER A 909 0.702 -20.144 1.863 1.00 0.00 H ATOM 609 N MET A 910 2.737 -18.575 -0.176 1.00 34.88 N ATOM 610 CA MET A 910 3.190 -17.942 -1.426 1.00 38.79 C ATOM 611 C MET A 910 2.252 -16.785 -1.762 1.00 31.90 C ATOM 612 O MET A 910 2.674 -15.757 -2.210 1.00 26.93 O ATOM 613 CB MET A 910 3.147 -18.908 -2.612 1.00 44.63 C ATOM 614 CG MET A 910 3.711 -20.293 -2.380 1.00 51.93 C ATOM 615 SD MET A 910 3.645 -21.281 -3.905 1.00 62.73 S ATOM 616 CE MET A 910 5.011 -20.647 -4.882 1.00 55.72 C ATOM 617 H MET A 910 2.431 -19.569 -0.185 1.00 0.00 H ATOM 618 N LEU A 911 0.957 -17.008 -1.552 1.00 33.88 N ATOM 619 CA LEU A 911 -0.068 -16.026 -1.781 1.00 33.22 C ATOM 620 C LEU A 911 0.133 -14.793 -0.912 1.00 30.59 C ATOM 621 O LEU A 911 0.235 -13.718 -1.414 1.00 29.02 O ATOM 622 CB LEU A 911 -1.396 -16.701 -1.530 1.00 34.96 C ATOM 623 CG LEU A 911 -2.724 -16.236 -2.077 1.00 38.09 C ATOM 624 CD1 LEU A 911 -2.572 -15.763 -3.526 1.00 40.10 C ATOM 625 CD2 LEU A 911 -3.688 -17.415 -1.977 1.00 31.82 C ATOM 626 H LEU A 911 0.670 -17.945 -1.203 1.00 0.00 H ATOM 627 N LYS A 912 0.291 -14.946 0.396 1.00 29.44 N ATOM 628 CA LYS A 912 0.619 -13.766 1.213 1.00 33.86 C ATOM 629 C LYS A 912 1.869 -13.015 0.739 1.00 31.82 C ATOM 630 O LYS A 912 1.912 -11.782 0.711 1.00 34.15 O ATOM 631 CB LYS A 912 0.703 -14.131 2.703 1.00 35.51 C ATOM 632 CG LYS A 912 -0.608 -14.684 3.244 1.00 36.71 C ATOM 633 CD LYS A 912 -0.454 -15.150 4.686 1.00 38.91 C ATOM 634 CE LYS A 912 -1.733 -15.868 5.103 1.00 47.06 C ATOM 635 NZ LYS A 912 -1.939 -15.969 6.582 1.00 44.94 N ATOM 636 HZ1 LYS A 912 -1.147 -16.493 7.006 1.00 0.00 H ATOM 637 HZ2 LYS A 912 -1.983 -15.014 6.991 1.00 0.00 H ATOM 638 HZ3 LYS A 912 -2.830 -16.470 6.773 1.00 0.00 H ATOM 639 H LYS A 912 0.185 -15.882 0.836 1.00 0.00 H ATOM 640 N ASP A 913 2.885 -13.772 0.373 1.00 32.00 N ATOM 641 CA ASP A 913 4.137 -13.208 -0.053 1.00 33.60 C ATOM 642 C ASP A 913 3.983 -12.529 -1.362 1.00 29.60 C ATOM 643 O ASP A 913 4.535 -11.454 -1.546 1.00 30.28 O ATOM 644 CB ASP A 913 5.138 -14.328 -0.209 1.00 36.91 C ATOM 645 CG ASP A 913 6.491 -13.854 -0.699 1.00 47.58 C ATOM 646 OD1 ASP A 913 6.615 -13.441 -1.879 1.00 53.86 O ATOM 647 OD2 ASP A 913 7.448 -13.927 0.099 1.00 53.71 O ATOM 648 H ASP A 913 2.778 -14.806 0.393 1.00 0.00 H ATOM 649 N PHE A 914 3.308 -13.183 -2.318 1.00 27.61 N ATOM 650 CA PHE A 914 3.101 -12.523 -3.650 1.00 27.50 C ATOM 651 C PHE A 914 2.318 -11.202 -3.569 1.00 27.94 C ATOM 652 O PHE A 914 2.689 -10.226 -4.255 1.00 24.71 O ATOM 653 CB PHE A 914 2.383 -13.429 -4.663 1.00 28.16 C ATOM 654 CG PHE A 914 3.225 -14.598 -5.178 1.00 31.83 C ATOM 655 CD1 PHE A 914 4.607 -14.613 -5.051 1.00 33.74 C ATOM 656 CD2 PHE A 914 2.613 -15.658 -5.866 1.00 35.77 C ATOM 657 CE1 PHE A 914 5.338 -15.707 -5.535 1.00 36.73 C ATOM 658 CE2 PHE A 914 3.328 -16.738 -6.377 1.00 32.53 C ATOM 659 CZ PHE A 914 4.694 -16.765 -6.197 1.00 37.40 C ATOM 660 H PHE A 914 2.932 -14.136 -2.139 1.00 0.00 H ATOM 661 N LEU A 915 1.246 -11.166 -2.748 1.00 27.62 N ATOM 662 CA LEU A 915 0.406 -9.937 -2.687 1.00 27.11 C ATOM 663 C LEU A 915 1.120 -8.815 -1.955 1.00 32.97 C ATOM 664 O LEU A 915 0.768 -7.630 -2.083 1.00 36.42 O ATOM 665 CB LEU A 915 -1.017 -10.213 -2.137 1.00 26.81 C ATOM 666 CG LEU A 915 -1.753 -11.399 -2.820 1.00 24.47 C ATOM 667 CD1 LEU A 915 -2.986 -11.780 -1.995 1.00 24.66 C ATOM 668 CD2 LEU A 915 -2.198 -11.033 -4.214 1.00 26.29 C ATOM 669 H LEU A 915 1.008 -11.991 -2.162 1.00 0.00 H ATOM 670 N SER A 916 2.144 -9.162 -1.182 1.00 35.52 N ATOM 671 CA SER A 916 2.902 -8.151 -0.466 1.00 33.98 C ATOM 672 C SER A 916 4.070 -7.526 -1.272 1.00 34.59 C ATOM 673 O SER A 916 4.593 -6.493 -0.871 1.00 35.89 O ATOM 674 CB SER A 916 3.455 -8.752 0.784 1.00 36.80 C ATOM 675 OG SER A 916 4.593 -9.485 0.413 1.00 36.14 O ATOM 676 HG SER A 916 4.334 -10.190 -0.232 1.00 0.00 H ATOM 677 H SER A 916 2.404 -10.165 -1.089 1.00 0.00 H ATOM 678 N GLN A 917 4.469 -8.148 -2.377 1.00 32.59 N ATOM 679 CA GLN A 917 5.615 -7.719 -3.200 1.00 30.53 C ATOM 680 C GLN A 917 5.204 -6.539 -4.011 1.00 32.22 C ATOM 681 O GLN A 917 4.003 -6.391 -4.259 1.00 29.76 O ATOM 682 CB GLN A 917 6.004 -8.852 -4.149 1.00 34.37 C ATOM 683 CG GLN A 917 6.744 -9.970 -3.460 1.00 40.02 C ATOM 684 CD GLN A 917 7.932 -9.402 -2.712 1.00 45.74 C ATOM 685 OE1 GLN A 917 8.689 -8.619 -3.278 1.00 51.21 O ATOM 686 NE2 GLN A 917 8.095 -9.770 -1.442 1.00 44.71 N ATOM 687 HE22 GLN A 917 7.428 -10.437 -1.004 1.00 0.00 H ATOM 688 HE21 GLN A 917 8.890 -9.391 -0.889 1.00 0.00 H ATOM 689 H GLN A 917 3.940 -8.990 -2.680 1.00 0.00 H ATOM 690 N PRO A 918 6.174 -5.719 -4.486 1.00 36.30 N ATOM 691 CA PRO A 918 5.896 -4.419 -5.185 1.00 38.55 C ATOM 692 C PRO A 918 5.403 -4.521 -6.661 1.00 35.92 C ATOM 693 O PRO A 918 5.010 -3.515 -7.299 1.00 37.50 O ATOM 694 CB PRO A 918 7.268 -3.722 -5.139 1.00 37.17 C ATOM 695 CG PRO A 918 8.245 -4.852 -5.129 1.00 40.55 C ATOM 696 CD PRO A 918 7.627 -5.888 -4.237 1.00 39.62 C ATOM 697 N SER A 919 5.426 -5.743 -7.173 1.00 34.53 N ATOM 698 CA SER A 919 5.157 -6.079 -8.548 1.00 32.95 C ATOM 699 C SER A 919 4.371 -7.404 -8.582 1.00 29.92 C ATOM 700 O SER A 919 4.732 -8.339 -7.873 1.00 30.00 O ATOM 701 CB SER A 919 6.499 -6.290 -9.222 1.00 36.31 C ATOM 702 OG SER A 919 6.292 -6.502 -10.571 1.00 48.76 O ATOM 703 HG SER A 919 7.164 -6.641 -11.020 1.00 0.00 H ATOM 704 H SER A 919 5.658 -6.525 -6.528 1.00 0.00 H ATOM 705 N LEU A 920 3.358 -7.491 -9.463 1.00 26.01 N ATOM 706 CA LEU A 920 2.371 -8.567 -9.466 1.00 26.66 C ATOM 707 C LEU A 920 1.927 -8.873 -10.929 1.00 22.55 C ATOM 708 O LEU A 920 1.524 -7.955 -11.681 1.00 25.41 O ATOM 709 CB LEU A 920 1.157 -8.111 -8.598 1.00 24.86 C ATOM 710 CG LEU A 920 0.035 -9.114 -8.346 1.00 28.67 C ATOM 711 CD1 LEU A 920 0.669 -10.358 -7.754 1.00 26.68 C ATOM 712 CD2 LEU A 920 -1.033 -8.545 -7.411 1.00 24.97 C ATOM 713 H LEU A 920 3.273 -6.747 -10.185 1.00 0.00 H ATOM 714 N GLY A 921 2.066 -10.133 -11.324 1.00 20.22 N ATOM 715 CA GLY A 921 1.681 -10.619 -12.647 1.00 20.85 C ATOM 716 C GLY A 921 0.474 -11.541 -12.436 1.00 22.52 C ATOM 717 O GLY A 921 0.501 -12.427 -11.619 1.00 24.93 O ATOM 718 H GLY A 921 2.473 -10.814 -10.652 1.00 0.00 H ATOM 719 N LEU A 922 -0.620 -11.314 -13.146 1.00 22.33 N ATOM 720 CA LEU A 922 -1.826 -12.165 -12.960 1.00 21.43 C ATOM 721 C LEU A 922 -2.272 -12.652 -14.304 1.00 21.50 C ATOM 722 O LEU A 922 -2.114 -11.925 -15.283 1.00 21.99 O ATOM 723 CB LEU A 922 -2.996 -11.311 -12.452 1.00 22.80 C ATOM 724 CG LEU A 922 -2.851 -10.544 -11.167 1.00 23.41 C ATOM 725 CD1 LEU A 922 -4.188 -9.825 -10.924 1.00 26.41 C ATOM 726 CD2 LEU A 922 -2.558 -11.574 -10.085 1.00 24.42 C ATOM 727 H LEU A 922 -0.636 -10.537 -13.837 1.00 0.00 H ATOM 728 N LEU A 923 -2.830 -13.863 -14.396 1.00 19.41 N ATOM 729 CA LEU A 923 -3.563 -14.232 -15.600 1.00 18.00 C ATOM 730 C LEU A 923 -4.961 -14.525 -15.058 1.00 18.41 C ATOM 731 O LEU A 923 -5.116 -15.311 -14.080 1.00 19.15 O ATOM 732 CB LEU A 923 -3.005 -15.532 -16.287 1.00 18.21 C ATOM 733 CG LEU A 923 -3.871 -15.920 -17.531 1.00 20.45 C ATOM 734 CD1 LEU A 923 -3.666 -14.992 -18.746 1.00 18.26 C ATOM 735 CD2 LEU A 923 -3.590 -17.394 -17.905 1.00 21.72 C ATOM 736 H LEU A 923 -2.741 -14.539 -13.611 1.00 0.00 H ATOM 737 N VAL A 924 -5.971 -13.871 -15.617 1.00 17.39 N ATOM 738 CA VAL A 924 -7.304 -14.017 -15.044 1.00 17.62 C ATOM 739 C VAL A 924 -8.271 -14.526 -16.118 1.00 16.23 C ATOM 740 O VAL A 924 -8.160 -14.106 -17.256 1.00 16.72 O ATOM 741 CB VAL A 924 -7.863 -12.709 -14.304 1.00 18.71 C ATOM 742 CG1 VAL A 924 -6.955 -12.210 -13.152 1.00 19.49 C ATOM 743 CG2 VAL A 924 -8.201 -11.585 -15.258 1.00 21.18 C ATOM 744 H VAL A 924 -5.815 -13.266 -16.448 1.00 0.00 H ATOM 745 N ARG A 925 -9.325 -15.218 -15.711 1.00 16.94 N ATOM 746 CA ARG A 925 -10.427 -15.504 -16.665 1.00 17.47 C ATOM 747 C ARG A 925 -11.397 -14.369 -16.558 1.00 17.41 C ATOM 748 O ARG A 925 -11.793 -13.989 -15.428 1.00 22.39 O ATOM 749 CB ARG A 925 -11.168 -16.790 -16.326 1.00 18.11 C ATOM 750 CG ARG A 925 -12.446 -16.895 -17.154 1.00 17.83 C ATOM 751 CD ARG A 925 -13.035 -18.300 -17.161 1.00 20.68 C ATOM 752 NE ARG A 925 -14.148 -18.278 -18.098 1.00 21.07 N ATOM 753 CZ ARG A 925 -14.925 -19.323 -18.318 1.00 23.22 C ATOM 754 NH1 ARG A 925 -14.712 -20.468 -17.628 1.00 18.32 N ATOM 755 NH2 ARG A 925 -15.884 -19.214 -19.213 1.00 21.23 N ATOM 756 HE ARG A 925 -14.341 -17.399 -18.619 1.00 0.00 H ATOM 757 HH12 ARG A 925 -15.319 -21.296 -17.795 1.00 0.00 H ATOM 758 HH11 ARG A 925 -13.942 -20.520 -16.931 1.00 0.00 H ATOM 759 HH22 ARG A 925 -16.510 -20.022 -19.405 1.00 0.00 H ATOM 760 HH21 ARG A 925 -16.016 -18.320 -19.728 1.00 0.00 H ATOM 761 H ARG A 925 -9.380 -15.559 -14.730 1.00 0.00 H ATOM 762 N THR A 926 -11.768 -13.782 -17.678 1.00 18.29 N ATOM 763 CA THR A 926 -12.634 -12.609 -17.610 1.00 18.80 C ATOM 764 C THR A 926 -13.939 -12.859 -18.356 1.00 20.59 C ATOM 765 O THR A 926 -13.930 -13.423 -19.432 1.00 21.40 O ATOM 766 CB THR A 926 -11.918 -11.293 -18.019 1.00 22.25 C ATOM 767 OG1 THR A 926 -12.825 -10.221 -17.714 1.00 28.13 O ATOM 768 CG2 THR A 926 -11.496 -11.243 -19.513 1.00 20.72 C ATOM 769 HG1 THR A 926 -13.027 -10.227 -16.745 1.00 0.00 H ATOM 770 H THR A 926 -11.448 -14.149 -18.597 1.00 0.00 H ATOM 771 N TYR A 927 -15.076 -12.487 -17.774 1.00 23.21 N ATOM 772 CA TYR A 927 -16.363 -12.784 -18.434 1.00 25.54 C ATOM 773 C TYR A 927 -16.911 -11.628 -19.238 1.00 25.70 C ATOM 774 O TYR A 927 -16.743 -10.479 -18.832 1.00 26.24 O ATOM 775 CB TYR A 927 -17.382 -13.220 -17.447 1.00 25.08 C ATOM 776 CG TYR A 927 -17.042 -14.520 -16.918 1.00 26.82 C ATOM 777 CD1 TYR A 927 -17.446 -15.669 -17.586 1.00 30.26 C ATOM 778 CD2 TYR A 927 -16.263 -14.635 -15.768 1.00 28.74 C ATOM 779 CE1 TYR A 927 -17.112 -16.921 -17.072 1.00 33.01 C ATOM 780 CE2 TYR A 927 -15.933 -15.870 -15.244 1.00 30.64 C ATOM 781 CZ TYR A 927 -16.344 -17.006 -15.916 1.00 28.48 C ATOM 782 OH TYR A 927 -15.988 -18.220 -15.372 1.00 29.61 O ATOM 783 HH TYR A 927 -16.369 -18.297 -14.462 1.00 0.00 H ATOM 784 H TYR A 927 -15.058 -11.990 -16.860 1.00 0.00 H ATOM 785 N PRO A 928 -17.618 -11.924 -20.335 1.00 27.01 N ATOM 786 CA PRO A 928 -18.272 -10.781 -20.946 1.00 26.69 C ATOM 787 C PRO A 928 -19.260 -10.182 -19.981 1.00 30.96 C ATOM 788 O PRO A 928 -19.782 -10.880 -19.090 1.00 31.60 O ATOM 789 CB PRO A 928 -18.965 -11.358 -22.195 1.00 31.50 C ATOM 790 CG PRO A 928 -18.833 -12.851 -22.104 1.00 31.00 C ATOM 791 CD PRO A 928 -17.683 -13.133 -21.191 1.00 28.84 C ATOM 792 N GLU A 929 -19.513 -8.903 -20.213 1.00 31.12 N ATOM 793 CA GLU A 929 -20.038 -7.967 -19.245 1.00 38.77 C ATOM 794 C GLU A 929 -21.562 -7.781 -19.254 1.00 42.43 C ATOM 795 O GLU A 929 -22.315 -8.708 -19.602 1.00 45.04 O ATOM 796 CB GLU A 929 -19.317 -6.625 -19.501 1.00 39.30 C ATOM 797 H GLU A 929 -19.318 -8.543 -21.169 1.00 0.00 H TER 798 GLU A 929 HETATM 799 NA NA A 1 -22.777 -18.389 -19.906 1.00 45.82 NA HETATM 800 O HOH 2 -2.259 2.938 -2.653 1.00 41.84 O HETATM 801 O HOH 3 -1.936 0.521 -12.383 1.00 45.94 O HETATM 802 O HOH 4 -10.669 -5.085 -19.081 1.00 37.63 O HETATM 803 O HOH 5 -15.005 -11.050 -15.028 1.00 27.71 O HETATM 804 O HOH 6 -11.253 -2.062 -13.872 1.00 43.98 O HETATM 805 O HOH 7 -6.293 -4.495 -19.791 1.00 35.67 O HETATM 806 O HOH 8 -23.066 -10.448 -22.018 1.00 39.26 O HETATM 807 O HOH 9 -4.879 -22.274 -22.946 1.00 31.65 O HETATM 808 O HOH 10 -23.590 -12.315 -23.886 1.00 30.49 O HETATM 809 O HOH 11 0.874 -15.747 -14.513 1.00 51.71 O HETATM 810 O HOH 12 -10.127 -8.422 -16.706 1.00 31.43 O HETATM 811 O HOH 13 -14.162 -15.961 -19.990 1.00 19.48 O HETATM 812 O HOH 14 -8.298 -0.937 -8.085 1.00 27.64 O HETATM 813 O HOH 15 -1.194 -4.726 -17.389 1.00 38.02 O HETATM 814 O HOH 16 -3.626 -6.427 -20.080 1.00 24.67 O HETATM 815 O HOH 17 -16.748 -16.923 -20.974 1.00 24.76 O HETATM 816 O HOH 18 -8.979 -19.961 -9.716 1.00 24.58 O HETATM 817 O HOH 19 4.098 -10.641 -6.530 1.00 26.67 O HETATM 818 O HOH 20 -24.715 -16.006 -25.065 1.00 25.57 O HETATM 819 O HOH 21 -5.009 -18.327 -21.323 1.00 25.77 O HETATM 820 O HOH 22 7.784 -21.807 -11.263 1.00 38.08 O HETATM 821 O HOH 23 -18.400 -20.631 -20.291 1.00 23.21 O HETATM 822 O HOH 24 -16.670 -22.373 -17.593 1.00 25.56 O HETATM 823 O HOH 25 -19.397 -16.368 -20.880 1.00 29.33 O HETATM 824 O HOH 26 -16.106 -12.658 -7.332 1.00 40.51 O HETATM 825 O HOH 27 -15.049 -4.226 -11.159 1.00 33.30 O HETATM 826 O HOH 28 1.152 -0.583 -12.290 1.00 40.95 O HETATM 827 O HOH 29 -18.852 -23.300 -19.417 1.00 28.10 O HETATM 828 O HOH 30 2.548 -23.417 -11.470 1.00 40.69 O HETATM 829 O HOH 31 -14.735 -18.290 -12.798 1.00 38.38 O HETATM 830 O HOH 32 -5.985 -19.644 -23.249 1.00 32.80 O HETATM 831 O HOH 33 -17.268 -5.997 -12.612 1.00 45.35 O HETATM 832 O HOH 34 -4.301 0.904 -5.483 1.00 33.31 O HETATM 833 O HOH 35 -2.228 -18.013 -21.491 1.00 21.61 O HETATM 834 O HOH 36 -1.410 -19.461 -23.820 1.00 35.92 O HETATM 835 O HOH 37 1.510 -18.677 -24.623 1.00 45.94 O HETATM 836 O HOH 38 -6.610 1.562 -4.340 1.00 43.30 O HETATM 837 O HOH 39 -13.047 -20.138 6.731 1.00 44.83 O HETATM 838 N THR A 40 -18.158 -22.287 -0.129 1.00 0.24 N HETATM 839 CA THR A 40 -17.371 -22.215 1.123 1.00 0.09 C HETATM 840 C THR A 40 -16.159 -21.258 0.987 1.00 0.23 C HETATM 841 O THR A 40 -15.225 -21.515 0.234 1.00 -0.39 O HETATM 842 N THR A 40 -16.188 -20.131 1.674 1.00 -0.26 N HETATM 843 CA THR A 40 -15.109 -19.158 1.539 1.00 0.13 C HETATM 844 C THR A 40 -14.022 -19.429 2.575 1.00 0.20 C HETATM 845 O THR A 40 -14.275 -19.369 3.753 1.00 -0.39 O HETATM 846 N THR A 40 -12.806 -19.717 2.157 1.00 -0.26 N HETATM 847 CA THR A 40 -11.730 -19.978 3.121 1.00 0.13 C HETATM 848 C THR A 40 -11.013 -18.691 3.677 1.00 0.20 C HETATM 849 O THR A 40 -10.691 -18.603 4.864 1.00 -0.39 O HETATM 850 N THR A 40 -10.787 -17.682 2.846 1.00 -0.26 N HETATM 851 CA THR A 40 -9.892 -16.563 3.242 1.00 0.13 C HETATM 852 C THR A 40 -10.245 -15.442 2.315 1.00 0.20 C HETATM 853 O THR A 40 -10.757 -15.739 1.252 1.00 -0.39 O HETATM 854 N THR A 40 -10.071 -14.183 2.716 1.00 -0.26 N HETATM 855 CA THR A 40 -10.226 -13.050 1.766 1.00 0.13 C HETATM 856 C THR A 40 -8.944 -12.279 1.962 1.00 0.20 C HETATM 857 O THR A 40 -8.500 -12.102 3.098 1.00 -0.39 O HETATM 858 N THR A 40 -8.308 -11.892 0.863 1.00 -0.26 N HETATM 859 CA THR A 40 -7.102 -11.093 0.879 1.00 0.14 C HETATM 860 C THR A 40 -7.440 -9.708 0.331 1.00 0.21 C HETATM 861 O THR A 40 -8.179 -9.574 -0.688 1.00 -0.39 O HETATM 862 N THR A 40 -6.956 -8.659 1.018 1.00 -0.26 N HETATM 863 CA THR A 40 -7.160 -7.251 0.638 1.00 0.14 C HETATM 864 C THR A 40 -5.807 -6.695 0.155 1.00 0.21 C HETATM 865 O THR A 40 -4.962 -6.318 0.962 1.00 -0.39 O HETATM 866 N THR A 40 -5.608 -6.754 -1.163 1.00 -0.27 N HETATM 867 CA THR A 40 -4.318 -6.589 -1.796 1.00 0.09 C HETATM 868 C THR A 40 -4.099 -5.162 -2.349 1.00 0.06 C HETATM 869 O THR A 40 -5.079 -4.381 -2.530 1.00 -0.57 O HETATM 870 OXT THR A 40 -2.918 -4.781 -2.578 1.00 -0.57 O HETATM 871 CB THR A 40 -4.154 -7.636 -2.892 1.00 -0.03 C HETATM 872 H58 THR A 40 -3.173 -7.511 -3.374 1.00 0.03 H HETATM 873 H59 THR A 40 -4.949 -7.510 -3.641 1.00 0.03 H HETATM 874 H60 THR A 40 -4.221 -8.642 -2.451 1.00 0.03 H HETATM 875 H57 THR A 40 -3.545 -6.769 -1.034 1.00 0.07 H HETATM 876 H56 THR A 40 -6.400 -6.923 -1.750 1.00 0.19 H HETATM 877 CB THR A 40 -7.787 -6.454 1.805 1.00 0.02 C HETATM 878 CG THR A 40 -9.124 -6.997 2.194 1.00 -0.05 C HETATM 879 CD1 THR A 40 -10.264 -6.603 1.531 1.00 -0.07 C HETATM 880 CE1 THR A 40 -11.501 -7.104 1.858 1.00 -0.04 C HETATM 881 CZ THR A 40 -11.597 -8.089 2.826 1.00 0.08 C HETATM 882 CE2 THR A 40 -10.469 -8.553 3.474 1.00 -0.04 C HETATM 883 CD2 THR A 40 -9.233 -8.005 3.144 1.00 -0.07 C HETATM 884 H52 THR A 40 -8.340 -8.371 3.637 1.00 0.05 H HETATM 885 H54 THR A 40 -10.545 -9.330 4.226 1.00 0.05 H HETATM 886 OH THR A 40 -12.811 -8.612 3.130 1.00 -0.34 O HETATM 887 H55 THR A 40 -13.478 -8.189 2.602 1.00 0.25 H HETATM 888 H53 THR A 40 -12.391 -6.732 1.364 1.00 0.05 H HETATM 889 H51 THR A 40 -10.184 -5.878 0.729 1.00 0.05 H HETATM 890 H49 THR A 40 -7.905 -5.405 1.496 1.00 0.05 H HETATM 891 H50 THR A 40 -7.115 -6.507 2.674 1.00 0.05 H HETATM 892 H48 THR A 40 -7.865 -7.212 -0.205 1.00 0.08 H HETATM 893 H47 THR A 40 -6.422 -8.847 1.842 1.00 0.19 H HETATM 894 CB THR A 40 -5.960 -11.752 0.103 1.00 0.02 C HETATM 895 CG THR A 40 -5.543 -13.095 0.644 1.00 -0.04 C HETATM 896 CD1 THR A 40 -6.232 -14.263 0.260 1.00 -0.06 C HETATM 897 CE1 THR A 40 -5.839 -15.528 0.723 1.00 -0.07 C HETATM 898 CZ THR A 40 -4.750 -15.630 1.575 1.00 -0.07 C HETATM 899 CE2 THR A 40 -4.029 -14.477 1.946 1.00 -0.07 C HETATM 900 CD2 THR A 40 -4.430 -13.222 1.476 1.00 -0.06 C HETATM 901 H43 THR A 40 -3.870 -12.339 1.761 1.00 0.06 H HETATM 902 H45 THR A 40 -3.165 -14.563 2.595 1.00 0.06 H HETATM 903 H46 THR A 40 -4.452 -16.600 1.957 1.00 0.06 H HETATM 904 H44 THR A 40 -6.381 -16.416 0.418 1.00 0.06 H HETATM 905 H42 THR A 40 -7.083 -14.182 -0.407 1.00 0.06 H HETATM 906 H40 THR A 40 -5.089 -11.081 0.135 1.00 0.05 H HETATM 907 H41 THR A 40 -6.283 -11.885 -0.940 1.00 0.05 H HETATM 908 H39 THR A 40 -6.774 -10.982 1.923 1.00 0.08 H HETATM 909 H38 THR A 40 -8.682 -12.167 -0.023 1.00 0.19 H HETATM 910 CB THR A 40 -11.506 -12.180 2.033 1.00 -0.02 C HETATM 911 H35 THR A 40 -11.555 -11.365 1.296 1.00 0.03 H HETATM 912 H36 THR A 40 -11.456 -11.755 3.047 1.00 0.03 H HETATM 913 H37 THR A 40 -12.403 -12.810 1.943 1.00 0.03 H HETATM 914 H34 THR A 40 -10.284 -13.430 0.736 1.00 0.08 H HETATM 915 H33 THR A 40 -9.833 -13.998 3.669 1.00 0.19 H HETATM 916 CB THR A 40 -8.409 -16.963 2.998 1.00 -0.02 C HETATM 917 H30 THR A 40 -7.752 -16.132 3.293 1.00 0.03 H HETATM 918 H31 THR A 40 -8.261 -17.188 1.931 1.00 0.03 H HETATM 919 H32 THR A 40 -8.166 -17.853 3.597 1.00 0.03 H HETATM 920 H29 THR A 40 -10.047 -16.281 4.294 1.00 0.08 H HETATM 921 H28 THR A 40 -11.222 -17.674 1.946 1.00 0.19 H HETATM 922 CB THR A 40 -10.730 -21.004 2.546 1.00 -0.02 C HETATM 923 H25 THR A 40 -9.931 -21.188 3.280 1.00 0.03 H HETATM 924 H26 THR A 40 -10.291 -20.608 1.618 1.00 0.03 H HETATM 925 H27 THR A 40 -11.255 -21.947 2.331 1.00 0.03 H HETATM 926 H24 THR A 40 -12.206 -20.455 3.990 1.00 0.08 H HETATM 927 H23 THR A 40 -12.615 -19.758 1.176 1.00 0.19 H HETATM 928 CB THR A 40 -15.691 -17.764 1.707 1.00 -0.01 C HETATM 929 CG THR A 40 -14.807 -16.587 1.329 1.00 -0.04 C HETATM 930 CD THR A 40 -15.702 -15.680 0.540 1.00 -0.01 C HETATM 931 CE THR A 40 -15.397 -14.209 0.646 1.00 -0.04 C HETATM 932 NZ THR A 40 -16.435 -13.612 -0.249 1.00 0.22 N HETATM 933 H20 THR A 40 -16.332 -12.609 -0.261 1.00 0.20 H HETATM 934 H21 THR A 40 -17.352 -13.851 0.094 1.00 0.20 H HETATM 935 H22 THR A 40 -16.321 -13.973 -1.183 1.00 0.20 H HETATM 936 H18 THR A 40 -14.382 -13.984 0.286 1.00 0.08 H HETATM 937 H19 THR A 40 -15.507 -13.851 1.680 1.00 0.08 H HETATM 938 H16 THR A 40 -16.734 -15.837 0.887 1.00 0.03 H HETATM 939 H17 THR A 40 -15.624 -15.966 -0.519 1.00 0.03 H HETATM 940 H14 THR A 40 -13.956 -16.921 0.717 1.00 0.03 H HETATM 941 H15 THR A 40 -14.434 -16.077 2.229 1.00 0.03 H HETATM 942 H12 THR A 40 -15.963 -17.645 2.766 1.00 0.03 H HETATM 943 H13 THR A 40 -16.598 -17.708 1.087 1.00 0.03 H HETATM 944 H11 THR A 40 -14.668 -19.244 0.535 1.00 0.08 H HETATM 945 H10 THR A 40 -16.953 -19.943 2.290 1.00 0.19 H HETATM 946 CB THR A 40 -16.960 -23.645 1.509 1.00 0.11 C HETATM 947 OG1 THR A 40 -16.959 -23.762 2.935 1.00 -0.38 O HETATM 948 H6 THR A 40 -16.706 -24.645 3.179 1.00 0.21 H HETATM 949 CG2 THR A 40 -15.599 -24.084 0.846 1.00 -0.03 C HETATM 950 H7 THR A 40 -15.355 -25.111 1.155 1.00 0.03 H HETATM 951 H8 THR A 40 -14.797 -23.403 1.169 1.00 0.03 H HETATM 952 H9 THR A 40 -15.695 -24.044 -0.249 1.00 0.03 H HETATM 953 H5 THR A 40 -17.733 -24.327 1.124 1.00 0.07 H HETATM 954 H4 THR A 40 -18.019 -21.817 1.918 1.00 0.11 H HETATM 955 H1 THR A 40 -18.439 -21.359 -0.403 1.00 0.20 H HETATM 956 H2 THR A 40 -18.977 -22.856 0.021 1.00 0.20 H HETATM 957 H3 THR A 40 -17.594 -22.695 -0.858 1.00 0.20 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 130 131 135 136 137 CONECT 135 130 CONECT 136 130 CONECT 137 130 CONECT 242 243 247 248 249 CONECT 247 242 CONECT 248 242 CONECT 249 242 CONECT 838 839 955 956 957 CONECT 839 838 840 946 954 CONECT 840 839 841 842 CONECT 841 840 CONECT 842 840 843 945 CONECT 843 842 844 928 944 CONECT 844 843 845 846 CONECT 845 844 CONECT 846 844 847 927 CONECT 847 846 848 922 926 CONECT 848 847 849 850 CONECT 849 848 CONECT 850 848 851 921 CONECT 851 850 852 916 920 CONECT 852 851 853 854 CONECT 853 852 CONECT 854 852 855 915 CONECT 855 854 856 910 914 CONECT 856 855 857 858 CONECT 857 856 CONECT 858 856 859 909 CONECT 859 858 860 894 908 CONECT 860 859 861 862 CONECT 861 860 CONECT 862 860 863 893 CONECT 863 862 864 877 892 CONECT 864 863 865 866 CONECT 865 864 CONECT 866 864 867 876 CONECT 867 866 868 871 875 CONECT 868 867 869 870 CONECT 869 868 CONECT 870 868 CONECT 871 867 872 873 874 CONECT 872 871 CONECT 873 871 CONECT 874 871 CONECT 875 867 CONECT 876 866 CONECT 877 863 878 890 891 CONECT 878 877 879 883 CONECT 879 878 880 889 CONECT 880 879 881 888 CONECT 881 880 882 886 CONECT 882 881 883 885 CONECT 883 878 882 884 CONECT 884 883 CONECT 885 882 CONECT 886 881 887 CONECT 887 886 CONECT 888 880 CONECT 889 879 CONECT 890 877 CONECT 891 877 CONECT 892 863 CONECT 893 862 CONECT 894 859 895 906 907 CONECT 895 894 896 900 CONECT 896 895 897 905 CONECT 897 896 898 904 CONECT 898 897 899 903 CONECT 899 898 900 902 CONECT 900 895 899 901 CONECT 901 900 CONECT 902 899 CONECT 903 898 CONECT 904 897 CONECT 905 896 CONECT 906 894 CONECT 907 894 CONECT 908 859 CONECT 909 858 CONECT 910 855 911 912 913 CONECT 911 910 CONECT 912 910 CONECT 913 910 CONECT 914 855 CONECT 915 854 CONECT 916 851 917 918 919 CONECT 917 916 CONECT 918 916 CONECT 919 916 CONECT 920 851 CONECT 921 850 CONECT 922 847 923 924 925 CONECT 923 922 CONECT 924 922 CONECT 925 922 CONECT 926 847 CONECT 927 846 CONECT 928 843 929 942 943 CONECT 929 928 930 940 941 CONECT 930 929 931 938 939 CONECT 931 930 932 936 937 CONECT 932 931 933 934 935 CONECT 933 932 CONECT 934 932 CONECT 935 932 CONECT 936 931 CONECT 937 931 CONECT 938 930 CONECT 939 930 CONECT 940 929 CONECT 941 929 CONECT 942 928 CONECT 943 928 CONECT 944 843 CONECT 945 842 CONECT 946 839 947 949 953 CONECT 947 946 948 CONECT 948 947 CONECT 949 946 950 951 952 CONECT 950 949 CONECT 951 949 CONECT 952 949 CONECT 953 946 CONECT 954 839 CONECT 955 838 CONECT 956 838 CONECT 957 838 MASTER 0 0 0 0 0 0 0 0 954 3 132 8 END
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Related entries of code: 4gvd
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3kze
RCSB PDB
PDBbind
94aa, >3KZE_1|Chains... *
4gvc
RCSB PDB
PDBbind
94aa, >4GVC_1|Chain... at 100%
4nxq
RCSB PDB
PDBbind
94aa, >4NXQ_1|Chains... at 95%
4nxr
RCSB PDB
PDBbind
94aa, >4NXR_1|Chain... at 95%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1fo0
RCSB PDB
PDBbind
8-mer
1fzj
RCSB PDB
PDBbind
8-mer
1fzm
RCSB PDB
PDBbind
8-mer
1g6r
RCSB PDB
PDBbind
8-mer
1g7q
RCSB PDB
PDBbind
8-mer
1leg
RCSB PDB
PDBbind
8-mer
1lek
RCSB PDB
PDBbind
8-mer
1nlp
RCSB PDB
PDBbind
8-mer
1nzl
RCSB PDB
PDBbind
8-mer
1nzv
RCSB PDB
PDBbind
8-mer
1obx
RCSB PDB
PDBbind
8-mer
1okx
RCSB PDB
PDBbind
8-mer
1p2g
RCSB PDB
PDBbind
8-mer
1pig
RCSB PDB
PDBbind
8-mer
1pz5
RCSB PDB
PDBbind
8-mer
1qja
RCSB PDB
PDBbind
8-mer
1qjb
RCSB PDB
PDBbind
8-mer
1qr3
RCSB PDB
PDBbind
8-mer
1sle
RCSB PDB
PDBbind
8-mer
1tps
RCSB PDB
PDBbind
8-mer
2c1n
RCSB PDB
PDBbind
8-mer
2clv
RCSB PDB
PDBbind
8-mer
2er0
RCSB PDB
PDBbind
8-mer
2er9
RCSB PDB
PDBbind
8-mer
2fo4
RCSB PDB
PDBbind
8-mer
2h6k
RCSB PDB
PDBbind
8-mer
2kbs
RCSB PDB
PDBbind
8-mer
2qbw
RCSB PDB
PDBbind
8-mer
2r03
RCSB PDB
PDBbind
8-mer
2r9b
RCSB PDB
PDBbind
8-mer
2rly
RCSB PDB
PDBbind
8-mer
2rt5
RCSB PDB
PDBbind
8-mer
2v88
RCSB PDB
PDBbind
8-mer
2w16
RCSB PDB
PDBbind
8-mer
2w3o
RCSB PDB
PDBbind
8-mer
2ynn
RCSB PDB
PDBbind
8-mer
2zpk
RCSB PDB
PDBbind
8-mer
3agm
RCSB PDB
PDBbind
8-mer
3av9
RCSB PDB
PDBbind
8-mer
3ava
RCSB PDB
PDBbind
8-mer
3avb
RCSB PDB
PDBbind
8-mer
3avf
RCSB PDB
PDBbind
8-mer
3avg
RCSB PDB
PDBbind
8-mer
3avh
RCSB PDB
PDBbind
8-mer
3avi
RCSB PDB
PDBbind
8-mer
3avj
RCSB PDB
PDBbind
8-mer
3avk
RCSB PDB
PDBbind
8-mer
3avl
RCSB PDB
PDBbind
8-mer
3avm
RCSB PDB
PDBbind
8-mer
3avn
RCSB PDB
PDBbind
8-mer
3drf
RCSB PDB
PDBbind
8-mer
3ds9
RCSB PDB
PDBbind
8-mer
3eyu
RCSB PDB
PDBbind
8-mer
3h85
RCSB PDB
PDBbind
8-mer
3i91
RCSB PDB
PDBbind
8-mer
3jvk
RCSB PDB
PDBbind
8-mer
3kze
RCSB PDB
PDBbind
8-mer
3muk
RCSB PDB
PDBbind
8-mer
3n5e
RCSB PDB
PDBbind
8-mer
3nf3
RCSB PDB
PDBbind
8-mer
3omc
RCSB PDB
PDBbind
8-mer
3omg
RCSB PDB
PDBbind
8-mer
3p9l
RCSB PDB
PDBbind
8-mer
3p9m
RCSB PDB
PDBbind
8-mer
3pab
RCSB PDB
PDBbind
8-mer
3qg6
RCSB PDB
PDBbind
8-mer
3rdv
RCSB PDB
PDBbind
8-mer
3rwh
RCSB PDB
PDBbind
8-mer
3rwj
RCSB PDB
PDBbind
8-mer
3unn
RCSB PDB
PDBbind
8-mer
3uqp
RCSB PDB
PDBbind
8-mer
3uri
RCSB PDB
PDBbind
8-mer
3uyr
RCSB PDB
PDBbind
8-mer
3zev
RCSB PDB
PDBbind
8-mer
3zvy
RCSB PDB
PDBbind
8-mer
3zyr
RCSB PDB
PDBbind
8-mer
4aa1
RCSB PDB
PDBbind
8-mer
4aph
RCSB PDB
PDBbind
8-mer
4apr
RCSB PDB
PDBbind
8-mer
4dv9
RCSB PDB
PDBbind
8-mer
4e67
RCSB PDB
PDBbind
8-mer
4eoy
RCSB PDB
PDBbind
8-mer
4ep2
RCSB PDB
PDBbind
8-mer
4eqj
RCSB PDB
PDBbind
8-mer
4ezr
RCSB PDB
PDBbind
8-mer
4fmo
RCSB PDB
PDBbind
8-mer
4fn5
RCSB PDB
PDBbind
8-mer
4gpk
RCSB PDB
PDBbind
8-mer
4gvc
RCSB PDB
PDBbind
8-mer
4gvu
RCSB PDB
PDBbind
8-mer
4h36
RCSB PDB
PDBbind
8-mer
4h75
RCSB PDB
PDBbind
8-mer
4ii9
RCSB PDB
PDBbind
8-mer
4jiz
RCSB PDB
PDBbind
8-mer
4lkl
RCSB PDB
PDBbind
8-mer
4lkm
RCSB PDB
PDBbind
8-mer
4mji
RCSB PDB
PDBbind
8-mer
4nxq
RCSB PDB
PDBbind
8-mer
4nxr
RCSB PDB
PDBbind
8-mer
4o2f
RCSB PDB
PDBbind
8-mer
4rxh
RCSB PDB
PDBbind
8-mer
4y7r
RCSB PDB
PDBbind
8-mer
4ysi
RCSB PDB
PDBbind
8-mer
5d7e
RCSB PDB
PDBbind
8-mer
5e2q
RCSB PDB
PDBbind
8-mer
5elq
RCSB PDB
PDBbind
8-mer
5em9
RCSB PDB
PDBbind
8-mer
5ema
RCSB PDB
PDBbind
8-mer
5emb
RCSB PDB
PDBbind
8-mer
5fjx
RCSB PDB
PDBbind
8-mer
5fpi
RCSB PDB
PDBbind
8-mer
5gmv
RCSB PDB
PDBbind
8-mer
5hjb
RCSB PDB
PDBbind
8-mer
5i25
RCSB PDB
PDBbind
8-mer
5iok
RCSB PDB
PDBbind
8-mer
5iql
RCSB PDB
PDBbind
8-mer
5jjm
RCSB PDB
PDBbind
8-mer
5mgx
RCSB PDB
PDBbind
8-mer
5n70
RCSB PDB
PDBbind
8-mer
5svi
RCSB PDB
PDBbind
8-mer
5sxm
RCSB PDB
PDBbind
8-mer
5t6p
RCSB PDB
PDBbind
8-mer
5t78
RCSB PDB
PDBbind
8-mer
5teg
RCSB PDB
PDBbind
8-mer
5tkj
RCSB PDB
PDBbind
8-mer
5tkk
RCSB PDB
PDBbind
8-mer
5vwi
RCSB PDB
PDBbind
8-mer
5vwk
RCSB PDB
PDBbind
8-mer
5wou
RCSB PDB
PDBbind
8-mer
5wtt
RCSB PDB
PDBbind
8-mer
5xjm
RCSB PDB
PDBbind
8-mer
5xn3
RCSB PDB
PDBbind
8-mer
5yba
RCSB PDB
PDBbind
8-mer
6cdm
RCSB PDB
PDBbind
8-mer
6cdo
RCSB PDB
PDBbind
8-mer
6cdp
RCSB PDB
PDBbind
8-mer
6e86
RCSB PDB
PDBbind
8-mer
6eww
RCSB PDB
PDBbind
8-mer
6fau
RCSB PDB
PDBbind
8-mer
6fav
RCSB PDB
PDBbind
8-mer
6faw
RCSB PDB
PDBbind
8-mer
6fbw
RCSB PDB
PDBbind
8-mer
6fby
RCSB PDB
PDBbind
8-mer
6fel
RCSB PDB
PDBbind
8-mer
6fi4
RCSB PDB
PDBbind
8-mer
6fi5
RCSB PDB
PDBbind
8-mer
6fmp
RCSB PDB
PDBbind
8-mer
6fx1
RCSB PDB
PDBbind
8-mer
6hpg
RCSB PDB
PDBbind
8-mer
6min
RCSB PDB
PDBbind
8-mer
6miq
RCSB PDB
PDBbind
8-mer
6q3q
RCSB PDB
PDBbind
8-mer
6r0x
RCSB PDB
PDBbind
8-mer
6qk8
RCSB PDB
PDBbind
8-mer
6q4q
RCSB PDB
PDBbind
8-mer
6mtv
RCSB PDB
PDBbind
8-mer
6mtu
RCSB PDB
PDBbind
8-mer
6ms1
RCSB PDB
PDBbind
8-mer
6mqe
RCSB PDB
PDBbind
8-mer
6mqc
RCSB PDB
PDBbind
8-mer
6jax
RCSB PDB
PDBbind
8-mer
6hmt
RCSB PDB
PDBbind
8-mer
6hhp
RCSB PDB
PDBbind
8-mer
6dtn
RCSB PDB
PDBbind
8-mer
6dql
RCSB PDB
PDBbind
8-mer
6do1
RCSB PDB
PDBbind
8-mer
Entry Information
PDB ID
4gvd
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
T-cell Lymphoma Invasion and Metastasis-1 PDZ
Ligand Name
8-mer
EC.Number
E.C.-.-.-.-
Resolution
1.85(Å)
Affinity (Kd/Ki/IC50)
Kd=26.9uM
Release Year
2013
Protein/NA Sequence
Check fasta file
Primary Reference
(2013) Structure Vol. 21: pp. 342-354
Ligand Properties
Formula
C
4
0
H
6
1
N
9
O
1
1
Molecular Weight
843.966
Exact Mass
843.449
No. of atoms
121
No. of bonds
122
Polar Surface Area
336.74
LOGP Value
-1.92 (
Computed with XLOGP3
)
-1.13 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 11
No. of Hydrogen Bond Acceptors: 11
No. of Rotatable Bonds: 32
No. of Nitrogen and Oxygen Atoms: 20
No. of Rings: 2
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)Cc1ccc(cc1)O)Cc1ccccc1)C)C)C)NC(=O)[C@H]([C@H](O)C)[NH3+]
InChI String
InChI=1S/C40H59N9O11/c1-21(43-34(53)22(2)45-36(55)29(13-9-10-18-41)47-39(58)32(42)25(5)50)33(52)44-23(3)35(54)48-31(19-26-11-7-6-8-12-26)38(57)49-30(37(56)46-24(4)40(59)60)20-27-14-16-28(51)17-15-27/h6-8,11-12,14-17,21-25,29-32,50-51H,9-10,13,18-20,41-42H2,1-5H3,(H,43,53)(H,44,52)(H,45,55)(H,46,56)(H,47,58)(H,48,54)(H,49,57)(H,59,60)/p+2/t21-,22-,23-,24-,25+,29-,30-,31-,32-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P18827
Q13009
Entrez Gene ID
NCBI Entrez Gene ID:
6382
7074
ASD
Information of known allosteric effects of PDB entries
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