Browse entries in the PDBbind-CN Database
HEADER 4NXQ_COMPLEX COMPND 4NXQ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 91 MET GLY LYS VAL THR HIS SER ILE HIS ILE GLU LYS SER SEQRES 2 A 91 ASP THR ALA ALA ASP THR TYR GLY PHE SER LEU SER SER SEQRES 3 A 91 VAL GLU GLU ASP GLY ILE ARG ARG LEU TYR VAL ASN SER SEQRES 4 A 91 VAL LYS GLU THR GLY LEU ALA SER LYS LYS GLY LEU LYS SEQRES 5 A 91 ALA GLY ASP GLU ILE LEU GLU ILE ASN ASN ARG ALA ALA SEQRES 6 A 91 ASP ALA LEU ASN SER SER MET MET GLU ASP PHE PHE SER SEQRES 7 A 91 GLN PRO SER VAL GLY LEU LEU VAL ARG THR TYR PRO GLU HET ASN A 153 132 ATOM 1 N MET A 839 58.320 13.233 36.738 1.00 57.34 N ATOM 2 CA MET A 839 59.616 12.571 36.864 1.00 54.34 C ATOM 3 C MET A 839 59.479 11.223 37.574 1.00 47.11 C ATOM 4 O MET A 839 58.369 10.729 37.790 1.00 49.56 O ATOM 5 CB MET A 839 60.614 13.467 37.610 1.00 47.54 C ATOM 6 HN3 MET A 839 57.921 13.394 37.685 1.00 0.00 H ATOM 7 HN2 MET A 839 57.676 12.630 36.187 1.00 0.00 H ATOM 8 HN1 MET A 839 58.443 14.145 36.253 1.00 0.00 H ATOM 9 N GLY A 840 60.618 10.639 37.935 1.00 42.78 N ATOM 10 CA GLY A 840 60.648 9.360 38.618 1.00 39.58 C ATOM 11 C GLY A 840 61.212 8.329 37.660 1.00 41.78 C ATOM 12 O GLY A 840 61.900 7.394 38.065 1.00 38.17 O ATOM 13 H GLY A 840 61.517 11.115 37.720 1.00 0.00 H ATOM 14 N LYS A 841 60.885 8.499 36.382 1.00 38.02 N ATOM 15 CA LYS A 841 61.336 7.614 35.311 1.00 35.79 C ATOM 16 C LYS A 841 62.800 7.802 34.912 1.00 34.86 C ATOM 17 O LYS A 841 63.280 8.933 34.795 1.00 35.15 O ATOM 18 CB LYS A 841 60.464 7.811 34.074 1.00 32.95 C ATOM 19 CG LYS A 841 59.083 7.219 34.182 1.00 28.93 C ATOM 20 CD LYS A 841 58.337 7.443 32.883 1.00 37.36 C ATOM 21 CE LYS A 841 56.874 7.053 32.984 1.00 35.87 C ATOM 22 NZ LYS A 841 56.155 7.452 31.738 1.00 36.18 N ATOM 23 HZ1 LYS A 841 56.228 8.482 31.612 1.00 0.00 H ATOM 24 HZ2 LYS A 841 56.584 6.970 30.922 1.00 0.00 H ATOM 25 HZ3 LYS A 841 55.154 7.181 31.815 1.00 0.00 H ATOM 26 H LYS A 841 60.276 9.304 36.132 1.00 0.00 H ATOM 27 N VAL A 842 63.483 6.699 34.620 1.00 30.72 N ATOM 28 CA VAL A 842 64.821 6.796 34.063 1.00 31.08 C ATOM 29 C VAL A 842 64.930 6.088 32.718 1.00 29.27 C ATOM 30 O VAL A 842 64.212 5.134 32.428 1.00 28.22 O ATOM 31 CB VAL A 842 65.881 6.215 35.019 1.00 31.68 C ATOM 32 CG1 VAL A 842 65.977 7.056 36.270 1.00 37.26 C ATOM 33 CG2 VAL A 842 65.566 4.772 35.365 1.00 32.44 C ATOM 34 H VAL A 842 63.058 5.765 34.791 1.00 0.00 H ATOM 35 N THR A 843 65.853 6.579 31.904 1.00 27.71 N ATOM 36 CA THR A 843 66.102 6.048 30.575 1.00 29.77 C ATOM 37 C THR A 843 67.472 5.399 30.498 1.00 32.81 C ATOM 38 O THR A 843 68.459 6.003 30.902 1.00 38.18 O ATOM 39 CB THR A 843 66.000 7.165 29.522 1.00 24.95 C ATOM 40 OG1 THR A 843 64.658 7.656 29.492 1.00 27.28 O ATOM 41 CG2 THR A 843 66.360 6.656 28.159 1.00 26.45 C ATOM 42 HG1 THR A 843 64.419 8.014 30.383 1.00 0.00 H ATOM 43 H THR A 843 66.426 7.382 32.232 1.00 0.00 H ATOM 44 N HIS A 844 67.550 4.170 30.004 1.00 27.60 N ATOM 45 CA HIS A 844 68.866 3.580 29.807 1.00 33.65 C ATOM 46 C HIS A 844 68.930 2.651 28.582 1.00 32.57 C ATOM 47 O HIS A 844 67.906 2.216 28.050 1.00 25.66 O ATOM 48 CB HIS A 844 69.325 2.856 31.076 1.00 35.57 C ATOM 49 CG HIS A 844 68.482 1.684 31.459 1.00 35.72 C ATOM 50 ND1 HIS A 844 67.105 1.700 31.403 1.00 40.23 N ATOM 51 CD2 HIS A 844 68.821 0.464 31.938 1.00 39.96 C ATOM 52 CE1 HIS A 844 66.633 0.536 31.810 1.00 40.35 C ATOM 53 NE2 HIS A 844 67.655 -0.236 32.138 1.00 45.00 N ATOM 54 H HIS A 844 66.689 3.639 29.763 1.00 0.00 H ATOM 55 N SER A 845 70.151 2.351 28.151 1.00 29.25 N ATOM 56 CA SER A 845 70.362 1.501 26.995 1.00 30.12 C ATOM 57 C SER A 845 70.647 0.087 27.430 1.00 31.54 C ATOM 58 O SER A 845 71.346 -0.149 28.414 1.00 32.98 O ATOM 59 CB SER A 845 71.523 2.017 26.156 1.00 29.61 C ATOM 60 OG SER A 845 71.325 3.372 25.809 1.00 38.38 O ATOM 61 HG SER A 845 71.259 3.916 26.633 1.00 0.00 H ATOM 62 H SER A 845 70.975 2.735 28.655 1.00 0.00 H ATOM 63 N ILE A 846 70.108 -0.852 26.671 1.00 22.65 N ATOM 64 CA ILE A 846 70.292 -2.260 26.940 1.00 26.11 C ATOM 65 C ILE A 846 70.768 -2.940 25.666 1.00 27.66 C ATOM 66 O ILE A 846 70.247 -2.673 24.583 1.00 25.55 O ATOM 67 CB ILE A 846 68.980 -2.916 27.433 1.00 27.03 C ATOM 68 CG1 ILE A 846 68.592 -2.374 28.810 1.00 35.27 C ATOM 69 CG2 ILE A 846 69.120 -4.420 27.492 1.00 29.59 C ATOM 70 CD1 ILE A 846 67.271 -2.906 29.309 1.00 36.04 C ATOM 71 H ILE A 846 69.532 -0.568 25.853 1.00 0.00 H ATOM 72 N HIS A 847 71.780 -3.787 25.782 1.00 24.54 N ATOM 73 CA HIS A 847 72.181 -4.603 24.660 1.00 26.64 C ATOM 74 C HIS A 847 71.983 -6.043 25.111 1.00 27.16 C ATOM 75 O HIS A 847 72.414 -6.400 26.200 1.00 29.01 O ATOM 76 CB HIS A 847 73.629 -4.297 24.263 1.00 30.17 C ATOM 77 CG HIS A 847 74.025 -4.838 22.926 1.00 31.20 C ATOM 78 ND1 HIS A 847 74.812 -5.961 22.774 1.00 39.09 N ATOM 79 CD2 HIS A 847 73.745 -4.402 21.673 1.00 29.39 C ATOM 80 CE1 HIS A 847 75.002 -6.191 21.486 1.00 36.07 C ATOM 81 NE2 HIS A 847 74.365 -5.260 20.797 1.00 36.72 N ATOM 82 H HIS A 847 72.288 -3.865 26.686 1.00 0.00 H ATOM 83 N ILE A 848 71.292 -6.856 24.315 1.00 26.95 N ATOM 84 CA ILE A 848 71.084 -8.260 24.661 1.00 27.72 C ATOM 85 C ILE A 848 71.617 -9.132 23.537 1.00 27.50 C ATOM 86 O ILE A 848 71.494 -8.789 22.369 1.00 24.12 O ATOM 87 CB ILE A 848 69.601 -8.639 24.869 1.00 26.04 C ATOM 88 CG1 ILE A 848 68.766 -7.457 25.347 1.00 31.61 C ATOM 89 CG2 ILE A 848 69.509 -9.806 25.831 1.00 30.55 C ATOM 90 CD1 ILE A 848 67.278 -7.715 25.233 1.00 32.99 C ATOM 91 H ILE A 848 70.892 -6.484 23.430 1.00 0.00 H ATOM 92 N GLU A 849 72.205 -10.265 23.898 1.00 30.89 N ATOM 93 CA GLU A 849 72.838 -11.159 22.930 1.00 34.00 C ATOM 94 C GLU A 849 72.362 -12.597 23.132 1.00 35.16 C ATOM 95 O GLU A 849 72.226 -13.058 24.253 1.00 35.56 O ATOM 96 CB GLU A 849 74.354 -11.059 23.058 1.00 33.08 C ATOM 97 CG GLU A 849 74.874 -9.638 22.853 1.00 40.57 C ATOM 98 CD GLU A 849 76.347 -9.577 22.473 1.00 49.56 C ATOM 99 OE1 GLU A 849 77.158 -10.287 23.111 1.00 56.91 O ATOM 100 OE2 GLU A 849 76.689 -8.828 21.527 1.00 43.48 O ATOM 101 H GLU A 849 72.216 -10.526 24.905 1.00 0.00 H ATOM 102 N LYS A 850 72.048 -13.279 22.039 1.00 38.24 N ATOM 103 CA LYS A 850 71.540 -14.650 22.089 1.00 40.95 C ATOM 104 C LYS A 850 72.598 -15.685 22.467 1.00 48.32 C ATOM 105 O LYS A 850 72.269 -16.765 22.958 1.00 54.63 O ATOM 106 CB LYS A 850 70.917 -15.015 20.747 1.00 36.82 C ATOM 107 CG LYS A 850 69.510 -14.505 20.600 1.00 25.88 C ATOM 108 CD LYS A 850 68.949 -14.895 19.261 1.00 34.51 C ATOM 109 CE LYS A 850 67.597 -14.257 19.040 1.00 28.96 C ATOM 110 NZ LYS A 850 66.981 -14.818 17.810 1.00 38.37 N ATOM 111 HZ1 LYS A 850 67.596 -14.621 16.995 1.00 0.00 H ATOM 112 HZ2 LYS A 850 66.867 -15.846 17.919 1.00 0.00 H ATOM 113 HZ3 LYS A 850 66.051 -14.379 17.658 1.00 0.00 H ATOM 114 H LYS A 850 72.167 -12.822 21.112 1.00 0.00 H ATOM 115 N SER A 851 73.865 -15.346 22.243 1.00 45.33 N ATOM 116 CA SER A 851 74.981 -16.264 22.492 1.00 56.70 C ATOM 117 C SER A 851 75.151 -16.662 23.960 1.00 59.57 C ATOM 118 O SER A 851 75.947 -17.545 24.280 1.00 65.28 O ATOM 119 CB SER A 851 76.291 -15.657 21.970 1.00 52.93 C ATOM 120 OG SER A 851 76.717 -14.566 22.769 1.00 56.14 O ATOM 121 HG SER A 851 77.562 -14.201 22.404 1.00 0.00 H ATOM 122 H SER A 851 74.072 -14.394 21.878 1.00 0.00 H ATOM 123 N ASP A 852 74.408 -16.012 24.848 1.00 60.43 N ATOM 124 CA ASP A 852 74.497 -16.338 26.263 1.00 71.14 C ATOM 125 C ASP A 852 73.645 -17.554 26.664 1.00 74.78 C ATOM 126 O ASP A 852 74.011 -18.319 27.567 1.00 73.86 O ATOM 127 CB ASP A 852 74.008 -15.141 27.082 1.00 62.82 C ATOM 128 CG ASP A 852 74.884 -13.917 26.927 1.00 61.66 C ATOM 129 OD1 ASP A 852 76.037 -14.042 26.453 1.00 62.69 O ATOM 130 OD2 ASP A 852 74.402 -12.816 27.281 1.00 60.65 O ATOM 131 H ASP A 852 73.758 -15.265 24.530 1.00 0.00 H ATOM 132 N THR A 853 72.529 -17.741 25.962 1.00 73.11 N ATOM 133 CA THR A 853 71.567 -18.788 26.299 1.00 73.76 C ATOM 134 C THR A 853 71.493 -19.932 25.284 1.00 73.65 C ATOM 135 O THR A 853 71.880 -19.788 24.116 1.00 68.69 O ATOM 136 CB THR A 853 70.151 -18.187 26.508 1.00 73.90 C ATOM 137 OG1 THR A 853 70.270 -16.892 27.109 1.00 72.60 O ATOM 138 CG2 THR A 853 69.303 -19.074 27.428 1.00 70.91 C ATOM 139 HG1 THR A 853 69.368 -16.507 27.243 1.00 0.00 H ATOM 140 H THR A 853 72.336 -17.123 25.148 1.00 0.00 H ATOM 141 N ALA A 854 70.971 -21.059 25.759 1.00 75.16 N ATOM 142 CA ALA A 854 70.630 -22.196 24.924 1.00 76.49 C ATOM 143 C ALA A 854 69.354 -21.827 24.175 1.00 75.59 C ATOM 144 O ALA A 854 69.017 -22.431 23.155 1.00 77.04 O ATOM 145 CB ALA A 854 70.434 -23.453 25.761 1.00 73.73 C ATOM 146 H ALA A 854 70.798 -21.129 26.782 1.00 0.00 H ATOM 147 N ALA A 855 68.642 -20.829 24.698 1.00 69.80 N ATOM 148 CA ALA A 855 67.379 -20.392 24.113 1.00 65.04 C ATOM 149 C ALA A 855 67.640 -19.463 22.933 1.00 59.21 C ATOM 150 O ALA A 855 68.635 -18.732 22.902 1.00 59.95 O ATOM 151 CB ALA A 855 66.514 -19.702 25.152 1.00 57.88 C ATOM 152 H ALA A 855 68.997 -20.347 25.549 1.00 0.00 H ATOM 153 N ASP A 856 66.738 -19.515 21.959 1.00 51.83 N ATOM 154 CA ASP A 856 66.794 -18.651 20.792 1.00 46.87 C ATOM 155 C ASP A 856 65.881 -17.429 20.887 1.00 39.63 C ATOM 156 O ASP A 856 65.757 -16.678 19.929 1.00 45.24 O ATOM 157 CB ASP A 856 66.482 -19.463 19.535 1.00 54.76 C ATOM 158 CG ASP A 856 67.497 -20.571 19.302 1.00 64.33 C ATOM 159 OD1 ASP A 856 68.703 -20.317 19.519 1.00 69.09 O ATOM 160 OD2 ASP A 856 67.094 -21.692 18.921 1.00 67.69 O ATOM 161 H ASP A 856 65.961 -20.202 22.035 1.00 0.00 H ATOM 162 N THR A 857 65.196 -17.278 22.017 1.00 41.06 N ATOM 163 CA THR A 857 64.318 -16.133 22.273 1.00 34.73 C ATOM 164 C THR A 857 64.747 -15.384 23.529 1.00 35.06 C ATOM 165 O THR A 857 65.470 -15.924 24.365 1.00 33.69 O ATOM 166 CB THR A 857 62.859 -16.557 22.452 1.00 34.94 C ATOM 167 OG1 THR A 857 62.759 -17.391 23.607 1.00 38.84 O ATOM 168 CG2 THR A 857 62.353 -17.312 21.229 1.00 37.46 C ATOM 169 HG1 THR A 857 63.062 -16.887 24.404 1.00 0.00 H ATOM 170 H THR A 857 65.288 -18.007 22.753 1.00 0.00 H ATOM 171 N TYR A 858 64.325 -14.129 23.652 1.00 31.93 N ATOM 172 CA TYR A 858 64.692 -13.304 24.810 1.00 28.40 C ATOM 173 C TYR A 858 63.748 -13.436 26.010 1.00 26.69 C ATOM 174 O TYR A 858 64.096 -13.066 27.129 1.00 25.79 O ATOM 175 CB TYR A 858 64.782 -11.844 24.380 1.00 29.39 C ATOM 176 CG TYR A 858 65.941 -11.554 23.445 1.00 22.11 C ATOM 177 CD1 TYR A 858 67.262 -11.676 23.873 1.00 25.56 C ATOM 178 CD2 TYR A 858 65.716 -11.206 22.128 1.00 21.92 C ATOM 179 CE1 TYR A 858 68.330 -11.414 23.001 1.00 28.59 C ATOM 180 CE2 TYR A 858 66.775 -10.939 21.255 1.00 23.76 C ATOM 181 CZ TYR A 858 68.077 -11.046 21.696 1.00 23.37 C ATOM 182 OH TYR A 858 69.118 -10.786 20.817 1.00 23.05 O ATOM 183 HH TYR A 858 69.066 -11.412 20.052 1.00 0.00 H ATOM 184 H TYR A 858 63.720 -13.722 22.910 1.00 0.00 H ATOM 185 N GLY A 859 62.543 -13.931 25.780 1.00 24.69 N ATOM 186 CA GLY A 859 61.645 -14.142 26.886 1.00 25.51 C ATOM 187 C GLY A 859 60.973 -12.874 27.363 1.00 28.18 C ATOM 188 O GLY A 859 61.058 -12.541 28.550 1.00 26.63 O ATOM 189 H GLY A 859 62.247 -14.165 24.811 1.00 0.00 H ATOM 190 N PHE A 860 60.355 -12.132 26.444 1.00 26.68 N ATOM 191 CA PHE A 860 59.469 -11.041 26.859 1.00 23.38 C ATOM 192 C PHE A 860 58.419 -10.788 25.788 1.00 20.45 C ATOM 193 O PHE A 860 58.551 -11.242 24.650 1.00 20.40 O ATOM 194 CB PHE A 860 60.267 -9.760 27.203 1.00 21.86 C ATOM 195 CG PHE A 860 60.873 -9.064 26.018 1.00 21.66 C ATOM 196 CD1 PHE A 860 62.082 -9.481 25.491 1.00 21.78 C ATOM 197 CD2 PHE A 860 60.241 -7.965 25.450 1.00 20.50 C ATOM 198 CE1 PHE A 860 62.655 -8.832 24.400 1.00 21.80 C ATOM 199 CE2 PHE A 860 60.796 -7.311 24.354 1.00 20.37 C ATOM 200 CZ PHE A 860 62.007 -7.742 23.830 1.00 20.61 C ATOM 201 H PHE A 860 60.502 -12.327 25.433 1.00 0.00 H ATOM 202 N SER A 861 57.344 -10.110 26.168 1.00 19.27 N ATOM 203 CA SER A 861 56.340 -9.722 25.202 1.00 20.41 C ATOM 204 C SER A 861 56.113 -8.222 25.267 1.00 19.81 C ATOM 205 O SER A 861 56.363 -7.597 26.298 1.00 16.93 O ATOM 206 CB SER A 861 55.030 -10.477 25.423 1.00 22.50 C ATOM 207 OG SER A 861 54.462 -10.164 26.678 1.00 30.53 O ATOM 208 HG SER A 861 55.095 -10.414 27.397 1.00 0.00 H ATOM 209 H SER A 861 57.222 -9.855 27.169 1.00 0.00 H ATOM 210 N LEU A 862 55.673 -7.658 24.143 1.00 15.82 N ATOM 211 CA LEU A 862 55.385 -6.225 24.030 1.00 18.18 C ATOM 212 C LEU A 862 53.957 -6.001 23.610 1.00 20.61 C ATOM 213 O LEU A 862 53.450 -6.717 22.753 1.00 20.70 O ATOM 214 CB LEU A 862 56.287 -5.550 22.989 1.00 15.87 C ATOM 215 CG LEU A 862 57.792 -5.531 23.122 1.00 18.56 C ATOM 216 CD1 LEU A 862 58.375 -4.838 21.883 1.00 19.52 C ATOM 217 CD2 LEU A 862 58.207 -4.793 24.384 1.00 15.79 C ATOM 218 H LEU A 862 55.527 -8.261 23.308 1.00 0.00 H ATOM 219 N SER A 863 53.325 -4.965 24.144 1.00 16.86 N ATOM 220 CA SER A 863 52.047 -4.549 23.585 1.00 20.96 C ATOM 221 C SER A 863 52.289 -3.270 22.789 1.00 21.70 C ATOM 222 O SER A 863 53.138 -2.444 23.162 1.00 19.75 O ATOM 223 CB SER A 863 51.003 -4.324 24.680 1.00 25.25 C ATOM 224 OG SER A 863 51.471 -3.377 25.622 1.00 27.75 O ATOM 225 HG SER A 863 51.648 -2.518 25.164 1.00 0.00 H ATOM 226 H SER A 863 53.737 -4.456 24.952 1.00 0.00 H ATOM 227 N SER A 864 51.623 -3.163 21.645 1.00 23.14 N ATOM 228 CA SER A 864 51.704 -1.979 20.791 1.00 26.18 C ATOM 229 C SER A 864 50.381 -1.200 20.759 1.00 27.55 C ATOM 230 O SER A 864 49.333 -1.790 20.542 1.00 27.19 O ATOM 231 CB SER A 864 52.101 -2.395 19.375 1.00 26.85 C ATOM 232 OG SER A 864 52.263 -1.269 18.532 1.00 28.48 O ATOM 233 HG SER A 864 52.519 -1.572 17.625 1.00 0.00 H ATOM 234 H SER A 864 51.019 -3.954 21.344 1.00 0.00 H ATOM 235 N VAL A 865 50.429 0.116 20.926 1.00 19.73 N ATOM 236 CA VAL A 865 49.208 0.908 20.879 1.00 23.31 C ATOM 237 C VAL A 865 49.460 2.302 20.290 1.00 23.72 C ATOM 238 O VAL A 865 50.484 2.948 20.559 1.00 19.46 O ATOM 239 CB VAL A 865 48.570 1.034 22.301 1.00 25.00 C ATOM 240 CG1 VAL A 865 49.484 1.780 23.241 1.00 26.04 C ATOM 241 CG2 VAL A 865 47.206 1.686 22.229 1.00 27.84 C ATOM 242 H VAL A 865 51.343 0.584 21.091 1.00 0.00 H ATOM 243 N GLU A 866 48.506 2.770 19.490 1.00 24.74 N ATOM 244 CA GLU A 866 48.625 4.085 18.884 1.00 27.18 C ATOM 245 C GLU A 866 47.809 5.124 19.621 1.00 28.70 C ATOM 246 O GLU A 866 46.586 5.013 19.762 1.00 28.37 O ATOM 247 CB GLU A 866 48.220 4.046 17.412 1.00 26.90 C ATOM 248 CG GLU A 866 49.386 3.685 16.515 1.00 34.15 C ATOM 249 CD GLU A 866 49.044 3.759 15.049 1.00 40.15 C ATOM 250 OE1 GLU A 866 49.885 3.314 14.239 1.00 48.22 O ATOM 251 OE2 GLU A 866 48.002 4.363 14.700 1.00 42.20 O ATOM 252 H GLU A 866 47.666 2.188 19.296 1.00 0.00 H ATOM 253 N GLU A 867 48.523 6.129 20.102 1.00 26.93 N ATOM 254 CA GLU A 867 47.930 7.232 20.832 1.00 33.68 C ATOM 255 C GLU A 867 48.205 8.525 20.074 1.00 30.19 C ATOM 256 O GLU A 867 49.363 8.856 19.796 1.00 28.36 O ATOM 257 CB GLU A 867 48.490 7.302 22.260 1.00 27.51 C ATOM 258 H GLU A 867 49.552 6.127 19.950 1.00 0.00 H ATOM 259 N ASP A 868 47.140 9.236 19.721 1.00 31.79 N ATOM 260 CA ASP A 868 47.253 10.487 18.979 1.00 34.19 C ATOM 261 C ASP A 868 48.184 10.360 17.748 1.00 31.45 C ATOM 262 O ASP A 868 49.037 11.215 17.484 1.00 29.07 O ATOM 263 CB ASP A 868 47.758 11.565 19.957 1.00 33.25 C ATOM 264 CG ASP A 868 47.314 12.984 19.590 1.00 49.60 C ATOM 265 OD1 ASP A 868 46.358 13.138 18.796 1.00 51.86 O ATOM 266 OD2 ASP A 868 47.912 13.952 20.131 1.00 45.79 O ATOM 267 H ASP A 868 46.195 8.890 19.982 1.00 0.00 H ATOM 268 N GLY A 869 47.963 9.307 16.966 1.00 26.88 N ATOM 269 CA GLY A 869 48.712 9.071 15.739 1.00 27.61 C ATOM 270 C GLY A 869 50.104 8.475 15.904 1.00 23.75 C ATOM 271 O GLY A 869 50.739 8.134 14.915 1.00 24.35 O ATOM 272 H GLY A 869 47.227 8.626 17.241 1.00 0.00 H ATOM 273 N ILE A 870 50.577 8.378 17.147 1.00 22.34 N ATOM 274 CA ILE A 870 51.912 7.865 17.461 1.00 20.24 C ATOM 275 C ILE A 870 51.889 6.515 18.181 1.00 25.80 C ATOM 276 O ILE A 870 51.222 6.365 19.210 1.00 18.64 O ATOM 277 CB ILE A 870 52.671 8.879 18.311 1.00 23.48 C ATOM 278 CG1 ILE A 870 52.742 10.215 17.552 1.00 19.80 C ATOM 279 CG2 ILE A 870 54.073 8.362 18.681 1.00 19.68 C ATOM 280 CD1 ILE A 870 53.713 11.201 18.174 1.00 27.95 C ATOM 281 H ILE A 870 49.967 8.682 17.933 1.00 0.00 H ATOM 282 N ARG A 871 52.626 5.540 17.643 1.00 21.31 N ATOM 283 CA ARG A 871 52.656 4.207 18.236 1.00 20.81 C ATOM 284 C ARG A 871 53.672 4.145 19.379 1.00 19.15 C ATOM 285 O ARG A 871 54.812 4.591 19.228 1.00 17.63 O ATOM 286 CB ARG A 871 52.961 3.150 17.171 1.00 21.45 C ATOM 287 CG ARG A 871 52.936 1.703 17.659 1.00 21.40 C ATOM 288 CD ARG A 871 54.294 1.190 18.145 1.00 22.27 C ATOM 289 NE ARG A 871 55.209 0.881 17.043 1.00 21.61 N ATOM 290 CZ ARG A 871 55.184 -0.253 16.345 1.00 28.11 C ATOM 291 NH1 ARG A 871 56.048 -0.436 15.358 1.00 28.41 N ATOM 292 NH2 ARG A 871 54.287 -1.199 16.623 1.00 27.62 N ATOM 293 HE ARG A 871 55.924 1.593 16.790 1.00 0.00 H ATOM 294 HH12 ARG A 871 56.032 -1.320 14.810 1.00 0.00 H ATOM 295 HH11 ARG A 871 56.742 0.304 15.131 1.00 0.00 H ATOM 296 HH22 ARG A 871 54.275 -2.082 16.073 1.00 0.00 H ATOM 297 HH21 ARG A 871 53.600 -1.055 17.390 1.00 0.00 H ATOM 298 H ARG A 871 53.187 5.734 16.789 1.00 0.00 H ATOM 299 N ARG A 872 53.259 3.556 20.496 1.00 18.01 N ATOM 300 CA ARG A 872 54.129 3.333 21.656 1.00 20.03 C ATOM 301 C ARG A 872 54.237 1.820 21.936 1.00 19.65 C ATOM 302 O ARG A 872 53.334 1.060 21.612 1.00 16.70 O ATOM 303 CB ARG A 872 53.594 4.077 22.890 1.00 19.50 C ATOM 304 CG ARG A 872 53.628 5.612 22.745 1.00 24.35 C ATOM 305 CD ARG A 872 53.000 6.313 23.951 1.00 28.33 C ATOM 306 NE ARG A 872 53.913 6.445 25.082 1.00 31.16 N ATOM 307 CZ ARG A 872 53.598 7.053 26.231 1.00 40.95 C ATOM 308 NH1 ARG A 872 52.380 7.557 26.414 1.00 35.72 N ATOM 309 NH2 ARG A 872 54.487 7.129 27.218 1.00 37.32 N ATOM 310 HE ARG A 872 54.867 6.042 24.989 1.00 0.00 H ATOM 311 HH12 ARG A 872 52.142 8.029 27.310 1.00 0.00 H ATOM 312 HH11 ARG A 872 51.667 7.479 25.661 1.00 0.00 H ATOM 313 HH22 ARG A 872 54.236 7.603 28.109 1.00 0.00 H ATOM 314 HH21 ARG A 872 55.433 6.714 27.099 1.00 0.00 H ATOM 315 H ARG A 872 52.271 3.237 20.551 1.00 0.00 H ATOM 316 N LEU A 873 55.375 1.390 22.477 1.00 14.13 N ATOM 317 CA LEU A 873 55.607 -0.017 22.784 1.00 14.65 C ATOM 318 C LEU A 873 55.848 -0.166 24.272 1.00 16.49 C ATOM 319 O LEU A 873 56.685 0.554 24.827 1.00 15.92 O ATOM 320 CB LEU A 873 56.814 -0.549 22.017 1.00 16.05 C ATOM 321 CG LEU A 873 56.736 -0.604 20.492 1.00 18.69 C ATOM 322 CD1 LEU A 873 58.123 -0.877 19.968 1.00 15.73 C ATOM 323 CD2 LEU A 873 55.759 -1.661 20.033 1.00 18.45 C ATOM 324 H LEU A 873 56.124 2.080 22.688 1.00 0.00 H ATOM 325 N TYR A 874 55.103 -1.059 24.914 1.00 13.50 N ATOM 326 CA TYR A 874 55.273 -1.313 26.340 1.00 16.04 C ATOM 327 C TYR A 874 55.580 -2.768 26.591 1.00 17.72 C ATOM 328 O TYR A 874 55.041 -3.629 25.909 1.00 17.30 O ATOM 329 CB TYR A 874 54.014 -0.947 27.105 1.00 18.28 C ATOM 330 CG TYR A 874 53.659 0.511 27.057 1.00 16.33 C ATOM 331 CD1 TYR A 874 54.294 1.432 27.883 1.00 17.55 C ATOM 332 CD2 TYR A 874 52.684 0.966 26.190 1.00 17.32 C ATOM 333 CE1 TYR A 874 53.949 2.775 27.844 1.00 19.65 C ATOM 334 CE2 TYR A 874 52.336 2.300 26.138 1.00 19.33 C ATOM 335 CZ TYR A 874 52.967 3.193 26.966 1.00 23.35 C ATOM 336 OH TYR A 874 52.601 4.504 26.914 1.00 26.54 O ATOM 337 HH TYR A 874 53.140 5.022 27.564 1.00 0.00 H ATOM 338 H TYR A 874 54.381 -1.590 24.387 1.00 0.00 H ATOM 339 N VAL A 875 56.400 -3.036 27.599 1.00 15.98 N ATOM 340 CA VAL A 875 56.680 -4.394 27.996 1.00 16.01 C ATOM 341 C VAL A 875 55.480 -4.954 28.770 1.00 18.97 C ATOM 342 O VAL A 875 55.136 -4.478 29.851 1.00 14.55 O ATOM 343 CB VAL A 875 57.937 -4.480 28.870 1.00 19.30 C ATOM 344 CG1 VAL A 875 58.234 -5.933 29.208 1.00 17.77 C ATOM 345 CG2 VAL A 875 59.133 -3.860 28.151 1.00 20.68 C ATOM 346 H VAL A 875 56.850 -2.252 28.113 1.00 0.00 H ATOM 347 N ASN A 876 54.877 -5.985 28.191 1.00 17.64 N ATOM 348 CA ASN A 876 53.670 -6.637 28.674 1.00 18.53 C ATOM 349 C ASN A 876 54.009 -7.697 29.725 1.00 25.85 C ATOM 350 O ASN A 876 53.355 -7.807 30.771 1.00 26.79 O ATOM 351 CB ASN A 876 52.952 -7.250 27.464 1.00 26.03 C ATOM 352 CG ASN A 876 51.580 -7.774 27.779 1.00 36.53 C ATOM 353 OD1 ASN A 876 51.344 -8.389 28.815 1.00 40.32 O ATOM 354 ND2 ASN A 876 50.649 -7.534 26.864 1.00 45.58 N ATOM 355 HD22 ASN A 876 50.892 -7.009 26.000 1.00 0.00 H ATOM 356 HD21 ASN A 876 49.676 -7.871 27.011 1.00 0.00 H ATOM 357 H ASN A 876 55.303 -6.358 27.319 1.00 0.00 H ATOM 358 N SER A 877 55.034 -8.487 29.437 1.00 22.44 N ATOM 359 CA SER A 877 55.450 -9.540 30.342 1.00 25.52 C ATOM 360 C SER A 877 56.930 -9.843 30.134 1.00 25.01 C ATOM 361 O SER A 877 57.453 -9.668 29.039 1.00 24.62 O ATOM 362 CB SER A 877 54.597 -10.797 30.137 1.00 27.07 C ATOM 363 OG SER A 877 54.996 -11.531 28.979 1.00 31.62 O ATOM 364 HG SER A 877 54.422 -12.332 28.883 1.00 0.00 H ATOM 365 H SER A 877 55.550 -8.348 28.544 1.00 0.00 H ATOM 366 N VAL A 878 57.589 -10.304 31.192 1.00 23.71 N ATOM 367 CA VAL A 878 58.983 -10.719 31.140 1.00 26.90 C ATOM 368 C VAL A 878 59.130 -12.085 31.802 1.00 28.84 C ATOM 369 O VAL A 878 58.776 -12.245 32.963 1.00 30.55 O ATOM 370 CB VAL A 878 59.897 -9.715 31.871 1.00 26.36 C ATOM 371 CG1 VAL A 878 61.347 -10.140 31.773 1.00 25.60 C ATOM 372 CG2 VAL A 878 59.716 -8.318 31.305 1.00 27.53 C ATOM 373 H VAL A 878 57.085 -10.371 32.099 1.00 0.00 H ATOM 374 N LYS A 879 59.677 -13.056 31.080 1.00 31.72 N ATOM 375 CA LYS A 879 59.931 -14.370 31.660 1.00 34.52 C ATOM 376 C LYS A 879 60.992 -14.239 32.748 1.00 38.10 C ATOM 377 O LYS A 879 62.087 -13.724 32.502 1.00 35.33 O ATOM 378 CB LYS A 879 60.356 -15.365 30.581 1.00 29.96 C ATOM 379 H LYS A 879 59.928 -12.877 30.087 1.00 0.00 H ATOM 380 N GLU A 880 60.648 -14.675 33.958 1.00 35.99 N ATOM 381 CA GLU A 880 61.523 -14.518 35.122 1.00 38.04 C ATOM 382 C GLU A 880 62.913 -15.134 34.924 1.00 40.75 C ATOM 383 O GLU A 880 63.908 -14.639 35.471 1.00 43.17 O ATOM 384 CB GLU A 880 60.863 -15.124 36.364 1.00 39.39 C ATOM 385 H GLU A 880 59.727 -15.143 34.081 1.00 0.00 H ATOM 386 N THR A 881 62.974 -16.211 34.148 1.00 37.31 N ATOM 387 CA THR A 881 64.225 -16.938 33.925 1.00 42.50 C ATOM 388 C THR A 881 64.915 -16.598 32.603 1.00 40.10 C ATOM 389 O THR A 881 65.937 -17.187 32.270 1.00 37.66 O ATOM 390 CB THR A 881 63.994 -18.468 33.972 1.00 46.93 C ATOM 391 OG1 THR A 881 62.973 -18.831 33.029 1.00 48.26 O ATOM 392 CG2 THR A 881 63.556 -18.902 35.369 1.00 42.63 C ATOM 393 HG1 THR A 881 62.828 -19.810 33.062 1.00 0.00 H ATOM 394 H THR A 881 62.106 -16.548 33.685 1.00 0.00 H ATOM 395 N GLY A 882 64.331 -15.681 31.839 1.00 37.17 N ATOM 396 CA GLY A 882 64.838 -15.340 30.518 1.00 35.04 C ATOM 397 C GLY A 882 65.947 -14.302 30.475 1.00 33.04 C ATOM 398 O GLY A 882 66.245 -13.648 31.478 1.00 34.35 O ATOM 399 H GLY A 882 63.486 -15.192 32.196 1.00 0.00 H ATOM 400 N LEU A 883 66.542 -14.134 29.295 1.00 35.39 N ATOM 401 CA LEU A 883 67.661 -13.202 29.098 1.00 31.76 C ATOM 402 C LEU A 883 67.274 -11.727 29.312 1.00 35.04 C ATOM 403 O LEU A 883 68.045 -10.954 29.894 1.00 35.66 O ATOM 404 CB LEU A 883 68.234 -13.386 27.692 1.00 31.99 C ATOM 405 H LEU A 883 66.201 -14.684 28.481 1.00 0.00 H ATOM 406 N ALA A 884 66.088 -11.340 28.842 1.00 30.74 N ATOM 407 CA ALA A 884 65.596 -9.968 29.014 1.00 30.80 C ATOM 408 C ALA A 884 65.484 -9.590 30.489 1.00 32.77 C ATOM 409 O ALA A 884 65.792 -8.453 30.886 1.00 30.54 O ATOM 410 CB ALA A 884 64.249 -9.791 28.324 1.00 29.83 C ATOM 411 H ALA A 884 65.494 -12.030 28.339 1.00 0.00 H ATOM 412 N SER A 885 65.017 -10.540 31.293 1.00 30.40 N ATOM 413 CA SER A 885 64.911 -10.337 32.733 1.00 33.09 C ATOM 414 C SER A 885 66.309 -10.150 33.311 1.00 32.66 C ATOM 415 O SER A 885 66.538 -9.264 34.134 1.00 32.65 O ATOM 416 CB SER A 885 64.203 -11.516 33.404 1.00 33.70 C ATOM 417 OG SER A 885 64.108 -11.314 34.801 1.00 38.71 O ATOM 418 HG SER A 885 63.648 -12.087 35.214 1.00 0.00 H ATOM 419 H SER A 885 64.720 -11.450 30.885 1.00 0.00 H ATOM 420 N LYS A 886 67.243 -10.982 32.848 1.00 36.83 N ATOM 421 CA LYS A 886 68.638 -10.910 33.281 1.00 32.00 C ATOM 422 C LYS A 886 69.220 -9.519 33.029 1.00 33.27 C ATOM 423 O LYS A 886 69.986 -9.009 33.850 1.00 33.17 O ATOM 424 CB LYS A 886 69.462 -11.981 32.565 1.00 39.19 C ATOM 425 CG LYS A 886 70.915 -12.085 33.006 1.00 42.65 C ATOM 426 CD LYS A 886 71.604 -13.230 32.280 1.00 44.65 C ATOM 427 CE LYS A 886 73.051 -13.408 32.718 1.00 52.47 C ATOM 428 NZ LYS A 886 73.700 -14.545 31.985 1.00 50.20 N ATOM 429 HZ1 LYS A 886 73.181 -15.424 32.182 1.00 0.00 H ATOM 430 HZ2 LYS A 886 73.682 -14.352 30.963 1.00 0.00 H ATOM 431 HZ3 LYS A 886 74.685 -14.644 32.303 1.00 0.00 H ATOM 432 H LYS A 886 66.970 -11.707 32.155 1.00 0.00 H ATOM 433 N LYS A 887 68.808 -8.881 31.931 1.00 31.19 N ATOM 434 CA LYS A 887 69.314 -7.552 31.583 1.00 31.76 C ATOM 435 C LYS A 887 68.535 -6.415 32.245 1.00 29.80 C ATOM 436 O LYS A 887 68.858 -5.237 32.050 1.00 31.04 O ATOM 437 CB LYS A 887 69.301 -7.342 30.062 1.00 31.00 C ATOM 438 CG LYS A 887 70.090 -8.343 29.257 1.00 34.76 C ATOM 439 CD LYS A 887 71.534 -8.429 29.723 1.00 33.41 C ATOM 440 CE LYS A 887 72.299 -7.177 29.324 1.00 36.88 C ATOM 441 NZ LYS A 887 73.765 -7.408 29.166 1.00 41.05 N ATOM 442 HZ1 LYS A 887 74.161 -7.745 30.067 1.00 0.00 H ATOM 443 HZ2 LYS A 887 73.924 -8.123 28.427 1.00 0.00 H ATOM 444 HZ3 LYS A 887 74.228 -6.517 28.894 1.00 0.00 H ATOM 445 H LYS A 887 68.112 -9.339 31.309 1.00 0.00 H ATOM 446 N GLY A 888 67.514 -6.752 33.028 1.00 31.92 N ATOM 447 CA GLY A 888 66.831 -5.742 33.822 1.00 32.39 C ATOM 448 C GLY A 888 65.545 -5.163 33.259 1.00 28.37 C ATOM 449 O GLY A 888 65.050 -4.152 33.755 1.00 26.49 O ATOM 450 H GLY A 888 67.202 -7.743 33.073 1.00 0.00 H ATOM 451 N LEU A 889 64.999 -5.813 32.237 1.00 27.17 N ATOM 452 CA LEU A 889 63.722 -5.416 31.651 1.00 27.89 C ATOM 453 C LEU A 889 62.552 -5.816 32.559 1.00 26.68 C ATOM 454 O LEU A 889 62.535 -6.922 33.099 1.00 22.80 O ATOM 455 CB LEU A 889 63.555 -6.053 30.269 1.00 26.17 C ATOM 456 CG LEU A 889 62.610 -5.367 29.277 1.00 27.54 C ATOM 457 CD1 LEU A 889 63.132 -3.996 28.885 1.00 25.94 C ATOM 458 CD2 LEU A 889 62.402 -6.225 28.037 1.00 25.23 C ATOM 459 H LEU A 889 65.499 -6.634 31.840 1.00 0.00 H ATOM 460 N LYS A 890 61.582 -4.920 32.726 1.00 22.33 N ATOM 461 CA LYS A 890 60.449 -5.197 33.603 1.00 25.35 C ATOM 462 C LYS A 890 59.111 -4.903 32.947 1.00 23.42 C ATOM 463 O LYS A 890 59.003 -4.020 32.103 1.00 18.18 O ATOM 464 CB LYS A 890 60.544 -4.388 34.902 1.00 21.84 C ATOM 465 CG LYS A 890 61.877 -4.479 35.616 1.00 26.65 C ATOM 466 CD LYS A 890 61.798 -3.796 36.980 1.00 35.13 C ATOM 467 CE LYS A 890 60.772 -4.512 37.881 1.00 36.95 C ATOM 468 NZ LYS A 890 60.662 -3.939 39.259 1.00 47.12 N ATOM 469 HZ1 LYS A 890 61.585 -4.003 39.735 1.00 0.00 H ATOM 470 HZ2 LYS A 890 60.372 -2.942 39.197 1.00 0.00 H ATOM 471 HZ3 LYS A 890 59.954 -4.474 39.800 1.00 0.00 H ATOM 472 H LYS A 890 61.632 -4.010 32.225 1.00 0.00 H ATOM 473 N ALA A 891 58.089 -5.650 33.351 1.00 21.66 N ATOM 474 CA ALA A 891 56.725 -5.344 32.944 1.00 19.51 C ATOM 475 C ALA A 891 56.436 -3.874 33.246 1.00 17.07 C ATOM 476 O ALA A 891 56.822 -3.357 34.300 1.00 17.87 O ATOM 477 CB ALA A 891 55.733 -6.255 33.659 1.00 18.30 C ATOM 478 H ALA A 891 58.267 -6.468 33.969 1.00 0.00 H ATOM 479 N GLY A 892 55.826 -3.182 32.293 1.00 13.45 N ATOM 480 CA GLY A 892 55.501 -1.782 32.479 1.00 19.94 C ATOM 481 C GLY A 892 56.555 -0.832 31.919 1.00 17.89 C ATOM 482 O GLY A 892 56.280 0.350 31.760 1.00 16.10 O ATOM 483 H GLY A 892 55.577 -3.651 31.399 1.00 0.00 H ATOM 484 N ASP A 893 57.753 -1.335 31.632 1.00 16.90 N ATOM 485 CA ASP A 893 58.763 -0.524 30.922 1.00 20.02 C ATOM 486 C ASP A 893 58.245 -0.119 29.559 1.00 19.39 C ATOM 487 O ASP A 893 57.401 -0.819 28.975 1.00 17.49 O ATOM 488 CB ASP A 893 60.073 -1.279 30.719 1.00 20.89 C ATOM 489 CG ASP A 893 60.868 -1.454 32.014 1.00 29.48 C ATOM 490 OD1 ASP A 893 60.428 -0.941 33.080 1.00 26.47 O ATOM 491 OD2 ASP A 893 61.936 -2.110 31.948 1.00 23.53 O ATOM 492 H ASP A 893 57.981 -2.311 31.911 1.00 0.00 H ATOM 493 N GLU A 894 58.758 0.996 29.054 1.00 17.53 N ATOM 494 CA GLU A 894 58.446 1.436 27.702 1.00 19.32 C ATOM 495 C GLU A 894 59.682 1.356 26.821 1.00 18.67 C ATOM 496 O GLU A 894 60.770 1.818 27.194 1.00 18.00 O ATOM 497 CB GLU A 894 57.891 2.865 27.674 1.00 19.31 C ATOM 498 CG GLU A 894 57.479 3.281 26.255 1.00 18.50 C ATOM 499 CD GLU A 894 56.951 4.698 26.136 1.00 25.03 C ATOM 500 OE1 GLU A 894 56.895 5.432 27.152 1.00 22.48 O ATOM 501 OE2 GLU A 894 56.583 5.077 24.999 1.00 25.79 O ATOM 502 H GLU A 894 59.399 1.570 29.639 1.00 0.00 H ATOM 503 N ILE A 895 59.508 0.773 25.648 1.00 15.15 N ATOM 504 CA ILE A 895 60.581 0.763 24.667 1.00 14.08 C ATOM 505 C ILE A 895 60.551 2.044 23.861 1.00 14.24 C ATOM 506 O ILE A 895 59.620 2.268 23.090 1.00 16.97 O ATOM 507 CB ILE A 895 60.471 -0.409 23.721 1.00 15.21 C ATOM 508 CG1 ILE A 895 60.263 -1.688 24.521 1.00 11.10 C ATOM 509 CG2 ILE A 895 61.727 -0.485 22.837 1.00 14.88 C ATOM 510 CD1 ILE A 895 61.409 -1.980 25.475 1.00 13.98 C ATOM 511 H ILE A 895 58.599 0.319 25.425 1.00 0.00 H ATOM 512 N LEU A 896 61.569 2.884 24.029 1.00 14.02 N ATOM 513 CA LEU A 896 61.638 4.142 23.280 1.00 14.37 C ATOM 514 C LEU A 896 62.264 3.918 21.905 1.00 16.14 C ATOM 515 O LEU A 896 61.855 4.538 20.914 1.00 13.72 O ATOM 516 CB LEU A 896 62.446 5.182 24.055 1.00 13.82 C ATOM 517 CG LEU A 896 61.905 5.558 25.444 1.00 17.63 C ATOM 518 CD1 LEU A 896 62.742 6.679 26.085 1.00 17.01 C ATOM 519 CD2 LEU A 896 60.454 5.972 25.340 1.00 18.93 C ATOM 520 H LEU A 896 62.326 2.645 24.701 1.00 0.00 H ATOM 521 N GLU A 897 63.294 3.072 21.854 1.00 13.68 N ATOM 522 CA GLU A 897 63.997 2.797 20.590 1.00 13.53 C ATOM 523 C GLU A 897 64.455 1.353 20.472 1.00 15.72 C ATOM 524 O GLU A 897 64.753 0.702 21.476 1.00 15.65 O ATOM 525 CB GLU A 897 65.232 3.711 20.416 1.00 14.83 C ATOM 526 CG GLU A 897 64.939 5.187 20.351 1.00 16.24 C ATOM 527 CD GLU A 897 66.185 6.027 20.062 1.00 22.62 C ATOM 528 OE1 GLU A 897 67.295 5.462 20.012 1.00 24.13 O ATOM 529 OE2 GLU A 897 66.054 7.251 19.868 1.00 25.80 O ATOM 530 H GLU A 897 63.607 2.597 22.725 1.00 0.00 H ATOM 531 N ILE A 898 64.521 0.852 19.240 1.00 15.43 N ATOM 532 CA ILE A 898 65.184 -0.420 18.968 1.00 12.67 C ATOM 533 C ILE A 898 66.226 -0.220 17.859 1.00 15.70 C ATOM 534 O ILE A 898 65.901 0.280 16.781 1.00 14.22 O ATOM 535 CB ILE A 898 64.192 -1.513 18.554 1.00 13.19 C ATOM 536 CG1 ILE A 898 63.163 -1.762 19.667 1.00 13.85 C ATOM 537 CG2 ILE A 898 64.938 -2.803 18.256 1.00 13.64 C ATOM 538 CD1 ILE A 898 62.080 -2.743 19.264 1.00 13.12 C ATOM 539 H ILE A 898 64.090 1.379 18.454 1.00 0.00 H ATOM 540 N ASN A 899 67.465 -0.613 18.128 1.00 17.34 N ATOM 541 CA ASN A 899 68.564 -0.391 17.188 1.00 19.79 C ATOM 542 C ASN A 899 68.592 1.060 16.711 1.00 18.35 C ATOM 543 O ASN A 899 68.693 1.324 15.506 1.00 14.27 O ATOM 544 CB ASN A 899 68.475 -1.338 15.987 1.00 13.83 C ATOM 545 CG ASN A 899 68.914 -2.757 16.325 1.00 17.20 C ATOM 546 OD1 ASN A 899 69.570 -2.985 17.336 1.00 12.67 O ATOM 547 ND2 ASN A 899 68.604 -3.704 15.442 1.00 15.76 N ATOM 548 HD22 ASN A 899 68.045 -3.465 14.598 1.00 0.00 H ATOM 549 HD21 ASN A 899 68.921 -4.683 15.596 1.00 0.00 H ATOM 550 H ASN A 899 67.660 -1.091 19.031 1.00 0.00 H ATOM 551 N ASN A 900 68.429 1.976 17.668 1.00 17.78 N ATOM 552 CA ASN A 900 68.545 3.411 17.442 1.00 16.89 C ATOM 553 C ASN A 900 67.389 3.967 16.604 1.00 17.59 C ATOM 554 O ASN A 900 67.459 5.077 16.098 1.00 16.89 O ATOM 555 CB ASN A 900 69.880 3.720 16.762 1.00 22.38 C ATOM 556 CG ASN A 900 71.070 3.104 17.502 1.00 25.62 C ATOM 557 OD1 ASN A 900 71.142 3.148 18.727 1.00 26.74 O ATOM 558 ND2 ASN A 900 71.982 2.480 16.749 1.00 23.30 N ATOM 559 HD22 ASN A 900 71.881 2.468 15.714 1.00 0.00 H ATOM 560 HD21 ASN A 900 72.792 2.007 17.198 1.00 0.00 H ATOM 561 H ASN A 900 68.207 1.647 18.629 1.00 0.00 H ATOM 562 N ARG A 901 66.334 3.180 16.433 1.00 15.59 N ATOM 563 CA ARG A 901 65.157 3.650 15.717 1.00 15.20 C ATOM 564 C ARG A 901 63.978 3.867 16.673 1.00 18.14 C ATOM 565 O ARG A 901 63.692 3.014 17.512 1.00 14.61 O ATOM 566 CB ARG A 901 64.782 2.660 14.628 1.00 14.79 C ATOM 567 CG ARG A 901 65.876 2.461 13.587 1.00 14.70 C ATOM 568 CD ARG A 901 65.548 1.262 12.729 1.00 18.14 C ATOM 569 NE ARG A 901 66.572 0.966 11.722 1.00 15.48 N ATOM 570 CZ ARG A 901 66.435 1.253 10.432 1.00 18.61 C ATOM 571 NH1 ARG A 901 65.343 1.886 10.008 1.00 15.40 N ATOM 572 NH2 ARG A 901 67.393 0.936 9.569 1.00 16.18 N ATOM 573 HE ARG A 901 67.452 0.507 12.034 1.00 0.00 H ATOM 574 HH12 ARG A 901 65.232 2.112 8.999 1.00 0.00 H ATOM 575 HH11 ARG A 901 64.601 2.154 10.686 1.00 0.00 H ATOM 576 HH22 ARG A 901 67.280 1.163 8.560 1.00 0.00 H ATOM 577 HH21 ARG A 901 68.256 0.461 9.902 1.00 0.00 H ATOM 578 H ARG A 901 66.348 2.213 16.816 1.00 0.00 H ATOM 579 N ALA A 902 63.307 5.010 16.547 1.00 17.05 N ATOM 580 CA ALA A 902 62.184 5.338 17.414 1.00 16.18 C ATOM 581 C ALA A 902 61.065 4.320 17.218 1.00 14.90 C ATOM 582 O ALA A 902 60.829 3.853 16.100 1.00 14.39 O ATOM 583 CB ALA A 902 61.686 6.762 17.137 1.00 18.86 C ATOM 584 H ALA A 902 63.592 5.686 15.810 1.00 0.00 H ATOM 585 N ALA A 903 60.368 4.002 18.302 1.00 13.19 N ATOM 586 CA ALA A 903 59.306 3.002 18.298 1.00 16.40 C ATOM 587 C ALA A 903 58.244 3.262 17.238 1.00 14.62 C ATOM 588 O ALA A 903 57.771 2.347 16.587 1.00 16.34 O ATOM 589 CB ALA A 903 58.628 2.938 19.712 1.00 15.03 C ATOM 590 H ALA A 903 60.589 4.488 19.195 1.00 0.00 H ATOM 591 N ASP A 904 57.892 4.518 17.036 1.00 15.38 N ATOM 592 CA ASP A 904 56.859 4.830 16.060 1.00 15.39 C ATOM 593 C ASP A 904 57.362 4.631 14.614 1.00 22.52 C ATOM 594 O ASP A 904 56.556 4.554 13.675 1.00 21.34 O ATOM 595 CB ASP A 904 56.357 6.261 16.262 1.00 19.64 C ATOM 596 CG ASP A 904 55.288 6.639 15.269 1.00 23.09 C ATOM 597 OD1 ASP A 904 54.307 5.867 15.151 1.00 20.62 O ATOM 598 OD2 ASP A 904 55.423 7.700 14.616 1.00 24.20 O ATOM 599 H ASP A 904 58.351 5.282 17.572 1.00 0.00 H ATOM 600 N ALA A 905 58.688 4.566 14.440 1.00 19.93 N ATOM 601 CA ALA A 905 59.305 4.379 13.121 1.00 17.65 C ATOM 602 C ALA A 905 59.691 2.912 12.834 1.00 19.23 C ATOM 603 O ALA A 905 60.326 2.626 11.824 1.00 16.42 O ATOM 604 CB ALA A 905 60.529 5.278 12.982 1.00 16.81 C ATOM 605 H ALA A 905 59.306 4.651 15.272 1.00 0.00 H ATOM 606 N LEU A 906 59.305 1.994 13.716 1.00 17.74 N ATOM 607 CA LEU A 906 59.570 0.564 13.529 1.00 17.05 C ATOM 608 C LEU A 906 58.343 -0.048 12.882 1.00 19.69 C ATOM 609 O LEU A 906 57.262 0.511 12.982 1.00 17.73 O ATOM 610 CB LEU A 906 59.843 -0.137 14.863 1.00 16.17 C ATOM 611 CG LEU A 906 61.054 0.317 15.673 1.00 17.22 C ATOM 612 CD1 LEU A 906 60.943 -0.194 17.077 1.00 17.97 C ATOM 613 CD2 LEU A 906 62.336 -0.218 15.027 1.00 15.65 C ATOM 614 H LEU A 906 58.797 2.302 14.569 1.00 0.00 H ATOM 615 N ASN A 907 58.500 -1.179 12.204 1.00 19.25 N ATOM 616 CA ASN A 907 57.343 -1.958 11.794 1.00 22.51 C ATOM 617 C ASN A 907 57.577 -3.423 12.139 1.00 21.59 C ATOM 618 O ASN A 907 58.664 -3.777 12.593 1.00 21.80 O ATOM 619 CB ASN A 907 57.042 -1.746 10.307 1.00 22.15 C ATOM 620 CG ASN A 907 58.196 -2.121 9.405 1.00 23.03 C ATOM 621 OD1 ASN A 907 58.787 -3.191 9.527 1.00 21.65 O ATOM 622 ND2 ASN A 907 58.563 -1.200 8.520 1.00 28.85 N ATOM 623 HD22 ASN A 907 58.035 -0.307 8.449 1.00 0.00 H ATOM 624 HD21 ASN A 907 59.379 -1.372 7.898 1.00 0.00 H ATOM 625 H ASN A 907 59.457 -1.510 11.965 1.00 0.00 H ATOM 626 N SER A 908 56.572 -4.269 11.932 1.00 20.06 N ATOM 627 CA SER A 908 56.662 -5.641 12.421 1.00 25.59 C ATOM 628 C SER A 908 57.729 -6.495 11.748 1.00 18.57 C ATOM 629 O SER A 908 58.436 -7.218 12.435 1.00 18.87 O ATOM 630 CB SER A 908 55.302 -6.337 12.276 1.00 23.70 C ATOM 631 OG SER A 908 54.317 -5.589 12.956 1.00 30.93 O ATOM 632 HG SER A 908 54.556 -5.526 13.915 1.00 0.00 H ATOM 633 H SER A 908 55.723 -3.953 11.422 1.00 0.00 H ATOM 634 N SER A 909 57.899 -6.372 10.431 1.00 21.49 N ATOM 635 CA SER A 909 58.905 -7.181 9.751 1.00 22.09 C ATOM 636 C SER A 909 60.290 -6.702 10.178 1.00 19.15 C ATOM 637 O SER A 909 61.200 -7.494 10.350 1.00 19.98 O ATOM 638 CB SER A 909 58.739 -7.153 8.224 1.00 26.63 C ATOM 639 OG SER A 909 58.831 -5.850 7.700 1.00 29.92 O ATOM 640 HG SER A 909 58.718 -5.882 6.717 1.00 0.00 H ATOM 641 H SER A 909 57.316 -5.701 9.890 1.00 0.00 H ATOM 642 N MET A 910 60.446 -5.396 10.344 1.00 19.94 N ATOM 643 CA MET A 910 61.702 -4.855 10.843 1.00 19.41 C ATOM 644 C MET A 910 62.015 -5.421 12.234 1.00 19.69 C ATOM 645 O MET A 910 63.141 -5.844 12.519 1.00 19.41 O ATOM 646 CB MET A 910 61.619 -3.324 10.869 1.00 24.32 C ATOM 647 CG MET A 910 62.881 -2.594 11.251 1.00 24.25 C ATOM 648 SD MET A 910 62.655 -0.793 11.366 1.00 24.85 S ATOM 649 CE MET A 910 61.855 -0.372 9.816 1.00 17.45 C ATOM 650 H MET A 910 59.663 -4.751 10.115 1.00 0.00 H ATOM 651 N MET A 911 61.006 -5.459 13.095 1.00 14.57 N ATOM 652 CA MET A 911 61.201 -5.963 14.443 1.00 18.17 C ATOM 653 C MET A 911 61.476 -7.462 14.512 1.00 18.22 C ATOM 654 O MET A 911 62.342 -7.888 15.271 1.00 18.20 O ATOM 655 CB MET A 911 59.993 -5.596 15.322 1.00 23.08 C ATOM 656 CG MET A 911 60.085 -4.170 15.879 1.00 17.90 C ATOM 657 SD MET A 911 58.879 -3.778 17.156 1.00 33.42 S ATOM 658 CE MET A 911 57.366 -3.718 16.211 1.00 24.04 C ATOM 659 H MET A 911 60.066 -5.124 12.802 1.00 0.00 H ATOM 660 N GLU A 912 60.735 -8.264 13.749 1.00 18.31 N ATOM 661 CA GLU A 912 60.978 -9.711 13.745 1.00 20.26 C ATOM 662 C GLU A 912 62.403 -9.991 13.280 1.00 18.29 C ATOM 663 O GLU A 912 63.073 -10.866 13.818 1.00 19.79 O ATOM 664 CB GLU A 912 59.954 -10.459 12.875 1.00 20.48 C ATOM 665 CG GLU A 912 58.503 -10.419 13.433 1.00 28.24 C ATOM 666 CD GLU A 912 58.292 -11.261 14.723 1.00 33.31 C ATOM 667 OE1 GLU A 912 59.142 -12.123 15.060 1.00 33.50 O ATOM 668 OE2 GLU A 912 57.249 -11.076 15.395 1.00 34.21 O ATOM 669 H GLU A 912 59.982 -7.863 13.154 1.00 0.00 H ATOM 670 N ASP A 913 62.866 -9.216 12.298 1.00 20.02 N ATOM 671 CA ASP A 913 64.236 -9.300 11.786 1.00 16.38 C ATOM 672 C ASP A 913 65.241 -9.016 12.898 1.00 18.31 C ATOM 673 O ASP A 913 66.105 -9.847 13.208 1.00 17.03 O ATOM 674 CB ASP A 913 64.417 -8.311 10.627 1.00 21.17 C ATOM 675 CG ASP A 913 65.794 -8.408 9.947 1.00 25.60 C ATOM 676 OD1 ASP A 913 66.555 -9.377 10.208 1.00 25.17 O ATOM 677 OD2 ASP A 913 66.112 -7.497 9.137 1.00 25.34 O ATOM 678 H ASP A 913 62.222 -8.517 11.875 1.00 0.00 H ATOM 679 N PHE A 914 65.111 -7.849 13.524 1.00 17.22 N ATOM 680 CA PHE A 914 66.053 -7.455 14.570 1.00 17.11 C ATOM 681 C PHE A 914 66.146 -8.463 15.717 1.00 16.05 C ATOM 682 O PHE A 914 67.243 -8.706 16.209 1.00 16.29 O ATOM 683 CB PHE A 914 65.696 -6.075 15.142 1.00 17.14 C ATOM 684 CG PHE A 914 65.920 -4.947 14.180 1.00 17.52 C ATOM 685 CD1 PHE A 914 66.707 -5.130 13.052 1.00 15.97 C ATOM 686 CD2 PHE A 914 65.348 -3.703 14.404 1.00 17.43 C ATOM 687 CE1 PHE A 914 66.918 -4.080 12.160 1.00 17.95 C ATOM 688 CE2 PHE A 914 65.566 -2.646 13.519 1.00 16.99 C ATOM 689 CZ PHE A 914 66.330 -2.840 12.394 1.00 16.90 C ATOM 690 H PHE A 914 64.331 -7.211 13.266 1.00 0.00 H ATOM 691 N PHE A 915 65.018 -9.039 16.141 1.00 16.28 N ATOM 692 CA PHE A 915 65.009 -9.966 17.284 1.00 16.99 C ATOM 693 C PHE A 915 65.350 -11.418 16.935 1.00 20.80 C ATOM 694 O PHE A 915 65.396 -12.281 17.819 1.00 19.34 O ATOM 695 CB PHE A 915 63.653 -9.911 17.993 1.00 19.76 C ATOM 696 CG PHE A 915 63.464 -8.667 18.805 1.00 19.01 C ATOM 697 CD1 PHE A 915 64.189 -8.476 19.972 1.00 19.30 C ATOM 698 CD2 PHE A 915 62.601 -7.676 18.388 1.00 19.81 C ATOM 699 CE1 PHE A 915 64.044 -7.315 20.719 1.00 21.19 C ATOM 700 CE2 PHE A 915 62.442 -6.504 19.133 1.00 22.14 C ATOM 701 CZ PHE A 915 63.164 -6.329 20.301 1.00 18.69 C ATOM 702 H PHE A 915 64.125 -8.827 15.652 1.00 0.00 H ATOM 703 N SER A 916 65.576 -11.684 15.650 1.00 18.89 N ATOM 704 CA SER A 916 66.073 -12.982 15.200 1.00 19.86 C ATOM 705 C SER A 916 67.578 -12.932 14.936 1.00 21.66 C ATOM 706 O SER A 916 68.221 -13.967 14.741 1.00 19.08 O ATOM 707 CB SER A 916 65.331 -13.430 13.946 1.00 22.79 C ATOM 708 OG SER A 916 65.634 -12.555 12.880 1.00 24.17 O ATOM 709 HG SER A 916 65.353 -11.636 13.119 1.00 0.00 H ATOM 710 H SER A 916 65.393 -10.943 14.943 1.00 0.00 H ATOM 711 N GLN A 917 68.140 -11.724 14.939 1.00 19.43 N ATOM 712 CA GLN A 917 69.581 -11.533 14.789 1.00 14.75 C ATOM 713 C GLN A 917 70.304 -11.958 16.075 1.00 19.55 C ATOM 714 O GLN A 917 69.663 -12.162 17.097 1.00 20.63 O ATOM 715 CB GLN A 917 69.878 -10.060 14.438 1.00 17.25 C ATOM 716 CG GLN A 917 69.502 -9.703 12.993 1.00 16.38 C ATOM 717 CD GLN A 917 69.829 -8.265 12.625 1.00 16.82 C ATOM 718 OE1 GLN A 917 70.627 -7.606 13.283 1.00 14.71 O ATOM 719 NE2 GLN A 917 69.233 -7.789 11.547 1.00 14.60 N ATOM 720 HE22 GLN A 917 68.563 -8.383 11.018 1.00 0.00 H ATOM 721 HE21 GLN A 917 69.434 -6.820 11.227 1.00 0.00 H ATOM 722 H GLN A 917 67.532 -10.888 15.052 1.00 0.00 H ATOM 723 N PRO A 918 71.639 -12.125 16.021 1.00 20.46 N ATOM 724 CA PRO A 918 72.403 -12.557 17.201 1.00 21.16 C ATOM 725 C PRO A 918 72.347 -11.588 18.401 1.00 24.71 C ATOM 726 O PRO A 918 72.610 -11.988 19.530 1.00 21.18 O ATOM 727 CB PRO A 918 73.831 -12.671 16.667 1.00 23.31 C ATOM 728 CG PRO A 918 73.665 -12.934 15.211 1.00 21.02 C ATOM 729 CD PRO A 918 72.455 -12.155 14.793 1.00 17.35 C ATOM 730 N SER A 919 72.030 -10.323 18.154 1.00 22.05 N ATOM 731 CA SER A 919 71.967 -9.331 19.227 1.00 23.33 C ATOM 732 C SER A 919 71.085 -8.158 18.813 1.00 19.87 C ATOM 733 O SER A 919 70.801 -7.987 17.634 1.00 17.70 O ATOM 734 CB SER A 919 73.367 -8.836 19.588 1.00 27.53 C ATOM 735 OG SER A 919 73.947 -8.115 18.512 1.00 30.70 O ATOM 736 HG SER A 919 74.013 -8.704 17.719 1.00 0.00 H ATOM 737 H SER A 919 71.822 -10.031 17.178 1.00 0.00 H ATOM 738 N VAL A 920 70.642 -7.373 19.788 1.00 16.48 N ATOM 739 CA VAL A 920 69.785 -6.218 19.526 1.00 18.04 C ATOM 740 C VAL A 920 69.999 -5.192 20.638 1.00 21.30 C ATOM 741 O VAL A 920 70.267 -5.576 21.790 1.00 19.96 O ATOM 742 CB VAL A 920 68.287 -6.624 19.445 1.00 19.23 C ATOM 743 CG1 VAL A 920 67.786 -7.120 20.813 1.00 20.80 C ATOM 744 CG2 VAL A 920 67.431 -5.462 18.926 1.00 15.76 C ATOM 745 H VAL A 920 70.913 -7.587 20.769 1.00 0.00 H ATOM 746 N GLY A 921 69.899 -3.900 20.308 1.00 19.77 N ATOM 747 CA GLY A 921 70.038 -2.831 21.299 1.00 17.50 C ATOM 748 C GLY A 921 68.702 -2.143 21.550 1.00 19.36 C ATOM 749 O GLY A 921 67.878 -2.045 20.642 1.00 18.25 O ATOM 750 H GLY A 921 69.717 -3.646 19.316 1.00 0.00 H ATOM 751 N LEU A 922 68.467 -1.695 22.778 1.00 17.37 N ATOM 752 CA LEU A 922 67.189 -1.077 23.146 1.00 17.85 C ATOM 753 C LEU A 922 67.373 0.193 23.947 1.00 20.33 C ATOM 754 O LEU A 922 68.310 0.299 24.749 1.00 20.86 O ATOM 755 CB LEU A 922 66.332 -2.057 23.964 1.00 17.30 C ATOM 756 CG LEU A 922 66.161 -3.456 23.357 1.00 23.30 C ATOM 757 CD1 LEU A 922 65.820 -4.470 24.396 1.00 27.93 C ATOM 758 CD2 LEU A 922 65.065 -3.415 22.326 1.00 21.92 C ATOM 759 H LEU A 922 69.211 -1.785 23.499 1.00 0.00 H ATOM 760 N LEU A 923 66.510 1.174 23.717 1.00 17.55 N ATOM 761 CA LEU A 923 66.424 2.301 24.638 1.00 17.75 C ATOM 762 C LEU A 923 65.122 2.172 25.408 1.00 17.69 C ATOM 763 O LEU A 923 64.035 2.159 24.821 1.00 15.19 O ATOM 764 CB LEU A 923 66.488 3.650 23.927 1.00 15.19 C ATOM 765 CG LEU A 923 66.690 4.827 24.890 1.00 19.15 C ATOM 766 CD1 LEU A 923 68.093 4.742 25.504 1.00 20.04 C ATOM 767 CD2 LEU A 923 66.446 6.194 24.243 1.00 19.74 C ATOM 768 H LEU A 923 65.895 1.139 22.879 1.00 0.00 H ATOM 769 N VAL A 924 65.238 2.087 26.723 1.00 17.43 N ATOM 770 CA VAL A 924 64.118 1.741 27.587 1.00 18.76 C ATOM 771 C VAL A 924 63.910 2.840 28.615 1.00 23.48 C ATOM 772 O VAL A 924 64.876 3.357 29.193 1.00 22.56 O ATOM 773 CB VAL A 924 64.348 0.395 28.331 1.00 21.86 C ATOM 774 CG1 VAL A 924 63.153 0.042 29.187 1.00 23.66 C ATOM 775 CG2 VAL A 924 64.644 -0.732 27.351 1.00 22.68 C ATOM 776 H VAL A 924 66.165 2.274 27.156 1.00 0.00 H ATOM 777 N ARG A 925 62.649 3.208 28.822 1.00 19.39 N ATOM 778 CA ARG A 925 62.296 4.128 29.889 1.00 19.81 C ATOM 779 C ARG A 925 61.607 3.361 30.999 1.00 22.66 C ATOM 780 O ARG A 925 60.628 2.645 30.752 1.00 19.70 O ATOM 781 CB ARG A 925 61.389 5.255 29.377 1.00 23.03 C ATOM 782 CG ARG A 925 61.198 6.389 30.392 1.00 26.10 C ATOM 783 CD ARG A 925 60.745 7.682 29.728 1.00 25.21 C ATOM 784 NE ARG A 925 59.525 7.510 28.944 1.00 28.17 N ATOM 785 CZ ARG A 925 59.128 8.360 27.996 1.00 37.60 C ATOM 786 NH1 ARG A 925 58.001 8.139 27.325 1.00 28.65 N ATOM 787 NH2 ARG A 925 59.871 9.431 27.706 1.00 39.21 N ATOM 788 HE ARG A 925 58.932 6.677 29.136 1.00 0.00 H ATOM 789 HH12 ARG A 925 57.696 8.805 26.587 1.00 0.00 H ATOM 790 HH11 ARG A 925 57.425 7.300 27.539 1.00 0.00 H ATOM 791 HH22 ARG A 925 59.562 10.094 26.967 1.00 0.00 H ATOM 792 HH21 ARG A 925 60.759 9.602 28.219 1.00 0.00 H ATOM 793 H ARG A 925 61.900 2.829 28.207 1.00 0.00 H ATOM 794 N THR A 926 62.114 3.506 32.219 1.00 20.89 N ATOM 795 CA THR A 926 61.637 2.686 33.338 1.00 28.86 C ATOM 796 C THR A 926 61.616 3.416 34.675 1.00 28.44 C ATOM 797 O THR A 926 62.168 4.505 34.814 1.00 26.00 O ATOM 798 CB THR A 926 62.488 1.421 33.510 1.00 27.63 C ATOM 799 OG1 THR A 926 61.909 0.605 34.542 1.00 34.05 O ATOM 800 CG2 THR A 926 63.903 1.789 33.919 1.00 30.80 C ATOM 801 HG1 THR A 926 60.986 0.355 34.285 1.00 0.00 H ATOM 802 H THR A 926 62.860 4.212 32.383 1.00 0.00 H ATOM 803 N TYR A 927 60.948 2.820 35.653 1.00 30.44 N ATOM 804 CA TYR A 927 61.085 3.282 37.027 1.00 30.46 C ATOM 805 C TYR A 927 62.180 2.482 37.711 1.00 32.04 C ATOM 806 O TYR A 927 62.227 1.254 37.596 1.00 33.01 O ATOM 807 CB TYR A 927 59.779 3.148 37.810 1.00 26.52 C ATOM 808 CG TYR A 927 58.678 4.041 37.325 1.00 26.91 C ATOM 809 CD1 TYR A 927 58.602 5.363 37.739 1.00 31.01 C ATOM 810 CD2 TYR A 927 57.695 3.562 36.472 1.00 31.11 C ATOM 811 CE1 TYR A 927 57.594 6.187 37.304 1.00 31.60 C ATOM 812 CE2 TYR A 927 56.679 4.378 36.032 1.00 28.88 C ATOM 813 CZ TYR A 927 56.631 5.685 36.448 1.00 31.37 C ATOM 814 OH TYR A 927 55.613 6.505 36.015 1.00 37.35 O ATOM 815 HH TYR A 927 55.728 7.407 36.406 1.00 0.00 H ATOM 816 H TYR A 927 60.322 2.018 35.437 1.00 0.00 H ATOM 817 N PRO A 928 63.054 3.179 38.446 1.00 32.03 N ATOM 818 CA PRO A 928 64.071 2.552 39.299 1.00 38.57 C ATOM 819 C PRO A 928 63.467 1.554 40.303 1.00 37.87 C ATOM 820 O PRO A 928 62.275 1.653 40.614 1.00 35.69 O ATOM 821 CB PRO A 928 64.696 3.746 40.038 1.00 35.80 C ATOM 822 CG PRO A 928 64.349 4.940 39.216 1.00 35.88 C ATOM 823 CD PRO A 928 63.029 4.642 38.588 1.00 29.00 C ATOM 824 N GLU A 929 64.305 0.624 40.766 1.00 38.24 N ATOM 825 CA GLU A 929 63.991 -0.477 41.698 1.00 45.37 C ATOM 826 C GLU A 929 63.517 -1.713 40.938 1.00 45.11 C ATOM 827 O GLU A 929 64.043 -2.812 41.135 1.00 51.11 O ATOM 828 CB GLU A 929 62.945 -0.083 42.751 1.00 43.55 C ATOM 829 CG GLU A 929 63.455 0.877 43.805 1.00 47.92 C ATOM 830 CD GLU A 929 62.454 1.101 44.930 1.00 53.42 C ATOM 831 OE1 GLU A 929 62.135 0.125 45.645 1.00 53.41 O ATOM 832 OE2 GLU A 929 61.978 2.246 45.092 1.00 51.76 O ATOM 833 H GLU A 929 65.289 0.681 40.433 1.00 0.00 H TER 834 GLU A 929 HETATM 835 O HOH 1 68.315 1.629 20.540 1.00 16.98 O HETATM 836 O HOH 2 57.356 3.631 22.742 1.00 13.80 O HETATM 837 O HOH 3 74.514 1.059 17.673 1.00 17.03 O HETATM 838 O HOH 4 69.058 0.578 12.945 1.00 13.27 O HETATM 839 O HOH 5 63.145 3.278 11.309 1.00 18.13 O HETATM 840 O HOH 6 60.710 6.951 20.578 1.00 21.07 O HETATM 841 O HOH 7 63.963 7.031 14.590 1.00 26.79 O HETATM 842 O HOH 8 70.936 3.770 23.099 1.00 29.78 O HETATM 843 O HOH 9 72.123 2.612 13.943 1.00 24.26 O HETATM 844 O HOH 10 72.678 -6.904 14.823 1.00 22.17 O HETATM 845 O HOH 11 69.495 -6.551 15.579 1.00 20.24 O HETATM 846 O HOH 12 57.624 5.676 30.017 1.00 27.77 O HETATM 847 O HOH 13 57.122 -13.065 28.677 1.00 28.87 O HETATM 848 O HOH 14 63.473 -12.552 30.308 1.00 28.56 O HETATM 849 O HOH 15 57.537 -3.628 36.907 1.00 18.28 O HETATM 850 O HOH 16 56.017 -10.284 33.688 1.00 28.39 O HETATM 851 O HOH 17 73.861 -8.978 16.052 1.00 25.61 O HETATM 852 O HOH 18 68.387 -10.308 18.541 1.00 20.50 O HETATM 853 O HOH 19 69.526 9.235 31.002 1.00 39.91 O HETATM 854 O HOH 20 79.969 -11.774 23.761 1.00 53.16 O HETATM 855 O HOH 21 74.778 -13.360 20.348 1.00 37.48 O HETATM 856 O HOH 22 70.013 3.244 12.962 1.00 28.23 O HETATM 857 O HOH 23 63.656 9.604 31.653 1.00 29.97 O HETATM 858 O HOH 24 65.817 -15.945 27.249 1.00 36.89 O HETATM 859 O HOH 25 63.532 -16.951 28.100 1.00 34.38 O HETATM 860 O HOH 26 52.287 1.158 14.064 1.00 41.05 O HETATM 861 O HOH 27 44.172 8.574 20.329 1.00 33.70 O HETATM 862 O HOH 28 56.761 5.944 20.812 1.00 22.89 O HETATM 863 O HOH 29 67.152 -14.584 34.314 1.00 39.57 O HETATM 864 O HOH 30 70.332 -11.475 28.611 1.00 36.12 O HETATM 865 O HOH 31 58.333 -1.165 34.906 1.00 20.46 O HETATM 866 O HOH 32 58.360 6.587 18.891 1.00 22.35 O HETATM 867 O HOH 33 55.890 5.785 11.245 1.00 28.52 O HETATM 868 O HOH 34 68.941 7.314 18.430 1.00 36.61 O HETATM 869 O HOH 35 70.877 0.639 20.349 1.00 27.70 O HETATM 870 O HOH 36 57.136 7.916 24.582 1.00 31.19 O HETATM 871 O HOH 37 67.786 -10.869 8.281 1.00 28.98 O HETATM 872 O HOH 38 52.966 -13.638 29.019 1.00 31.81 O HETATM 873 O HOH 39 58.374 1.343 9.691 1.00 28.02 O HETATM 874 O HOH 40 56.875 9.788 15.082 1.00 31.61 O HETATM 875 O HOH 41 69.230 3.926 21.110 1.00 27.82 O HETATM 876 O HOH 42 75.745 -15.212 33.554 1.00 41.27 O HETATM 877 O HOH 43 58.357 -13.198 17.002 1.00 32.99 O HETATM 878 O HOH 44 54.105 3.697 13.374 1.00 32.81 O HETATM 879 O HOH 45 70.264 8.970 17.545 1.00 40.56 O HETATM 880 O HOH 46 61.855 -12.320 15.722 1.00 25.38 O HETATM 881 O HOH 47 49.727 4.996 25.080 1.00 39.83 O HETATM 882 O HOH 48 45.687 7.705 17.437 1.00 36.99 O HETATM 883 O HOH 49 71.790 5.562 27.870 1.00 38.30 O HETATM 884 O HOH 50 53.343 9.138 28.920 1.00 50.85 O HETATM 885 O HOH 51 71.946 -1.412 18.575 1.00 31.32 O HETATM 886 O HOH 52 43.982 10.847 21.799 1.00 30.87 O HETATM 887 O HOH 53 67.535 8.912 32.930 1.00 33.64 O HETATM 888 O HOH 54 73.743 -9.686 26.852 1.00 38.81 O HETATM 889 O HOH 55 68.749 -7.009 8.073 1.00 24.82 O HETATM 890 O HOH 56 52.068 4.955 13.285 1.00 35.72 O HETATM 891 O HOH 57 50.289 0.833 15.023 1.00 36.37 O HETATM 892 O HOH 58 64.201 -1.612 33.076 1.00 35.84 O HETATM 893 O HOH 59 57.326 7.767 12.673 1.00 30.17 O HETATM 894 O HOH 60 63.716 -13.269 19.777 1.00 27.86 O HETATM 895 O HOH 61 55.605 -12.031 17.803 1.00 31.85 O HETATM 896 N ASN A 62 44.707 0.312 16.957 1.00 0.24 N HETATM 897 CA ASN A 62 45.598 -0.619 16.273 1.00 0.08 C HETATM 898 C ASN A 62 46.520 -1.329 17.268 1.00 0.23 C HETATM 899 O ASN A 62 47.746 -1.289 17.143 1.00 -0.39 O HETATM 900 N ASN A 62 45.896 -1.978 18.249 1.00 -0.26 N HETATM 901 CA ASN A 62 46.574 -2.695 19.329 1.00 0.13 C HETATM 902 C ASN A 62 47.097 -4.085 18.941 1.00 0.20 C HETATM 903 O ASN A 62 46.328 -5.032 18.836 1.00 -0.39 O HETATM 904 N ASN A 62 48.399 -4.180 18.688 1.00 -0.26 N HETATM 905 CA ASN A 62 49.058 -5.436 18.330 1.00 0.13 C HETATM 906 C ASN A 62 49.881 -5.969 19.514 1.00 0.20 C HETATM 907 O ASN A 62 50.134 -5.226 20.466 1.00 -0.39 O HETATM 908 N ASN A 62 50.275 -7.240 19.504 1.00 -0.26 N HETATM 909 CA ASN A 62 51.221 -7.700 20.526 1.00 0.13 C HETATM 910 C ASN A 62 52.315 -8.578 19.891 1.00 0.20 C HETATM 911 O ASN A 62 52.084 -9.236 18.888 1.00 -0.39 O HETATM 912 N ASN A 62 53.527 -8.502 20.430 1.00 -0.26 N HETATM 913 CA ASN A 62 54.689 -9.208 19.893 1.00 0.14 C HETATM 914 C ASN A 62 55.337 -10.105 20.943 1.00 0.21 C HETATM 915 O ASN A 62 55.315 -9.783 22.129 1.00 -0.39 O HETATM 916 N ASN A 62 55.874 -11.245 20.522 1.00 -0.26 N HETATM 917 CA ASN A 62 56.617 -12.117 21.444 1.00 0.14 C HETATM 918 C ASN A 62 58.054 -12.276 20.925 1.00 0.21 C HETATM 919 O ASN A 62 58.258 -12.638 19.766 1.00 -0.39 O HETATM 920 N ASN A 62 59.050 -11.998 21.766 1.00 -0.27 N HETATM 921 CA ASN A 62 60.445 -12.023 21.304 1.00 0.10 C HETATM 922 C ASN A 62 61.352 -12.850 22.224 1.00 0.06 C HETATM 923 O ASN A 62 62.523 -13.127 21.907 1.00 -0.57 O HETATM 924 OXT ASN A 62 60.925 -13.263 23.300 1.00 -0.57 O HETATM 925 CB ASN A 62 60.998 -10.587 21.161 1.00 0.02 C HETATM 926 CG ASN A 62 60.315 -9.778 20.083 1.00 -0.04 C HETATM 927 CD1 ASN A 62 60.083 -10.324 18.823 1.00 -0.06 C HETATM 928 CE1 ASN A 62 59.447 -9.586 17.845 1.00 -0.07 C HETATM 929 CZ ASN A 62 59.024 -8.282 18.119 1.00 -0.07 C HETATM 930 CE2 ASN A 62 59.248 -7.740 19.367 1.00 -0.07 C HETATM 931 CD2 ASN A 62 59.884 -8.489 20.340 1.00 -0.06 C HETATM 932 H59 ASN A 62 60.048 -8.059 21.321 1.00 0.06 H HETATM 933 H61 ASN A 62 58.926 -6.728 19.585 1.00 0.06 H HETATM 934 H62 ASN A 62 58.523 -7.700 17.354 1.00 0.06 H HETATM 935 H60 ASN A 62 59.276 -10.017 16.865 1.00 0.06 H HETATM 936 H58 ASN A 62 60.404 -11.337 18.608 1.00 0.06 H HETATM 937 H56 ASN A 62 62.070 -10.650 20.922 1.00 0.05 H HETATM 938 H57 ASN A 62 60.867 -10.067 22.121 1.00 0.05 H HETATM 939 H55 ASN A 62 60.458 -12.494 20.310 1.00 0.07 H HETATM 940 H54 ASN A 62 58.847 -11.771 22.718 1.00 0.19 H HETATM 941 CB ASN A 62 55.895 -13.466 21.589 1.00 0.02 C HETATM 942 CG ASN A 62 54.468 -13.319 22.064 1.00 -0.04 C HETATM 943 CD1 ASN A 62 54.167 -13.267 23.422 1.00 -0.06 C HETATM 944 CE1 ASN A 62 52.857 -13.094 23.863 1.00 -0.07 C HETATM 945 CZ ASN A 62 51.832 -12.953 22.938 1.00 -0.07 C HETATM 946 CE2 ASN A 62 52.122 -12.981 21.580 1.00 -0.07 C HETATM 947 CD2 ASN A 62 53.439 -13.160 21.151 1.00 -0.06 C HETATM 948 H50 ASN A 62 53.659 -13.175 20.090 1.00 0.06 H HETATM 949 H52 ASN A 62 51.326 -12.864 20.853 1.00 0.06 H HETATM 950 H53 ASN A 62 50.810 -12.822 23.274 1.00 0.06 H HETATM 951 H51 ASN A 62 52.639 -13.070 24.925 1.00 0.06 H HETATM 952 H49 ASN A 62 54.966 -13.363 24.149 1.00 0.06 H HETATM 953 H47 ASN A 62 56.445 -14.083 22.315 1.00 0.05 H HETATM 954 H48 ASN A 62 55.889 -13.969 20.610 1.00 0.05 H HETATM 955 H46 ASN A 62 56.655 -11.639 22.434 1.00 0.08 H HETATM 956 H45 ASN A 62 55.771 -11.514 19.564 1.00 0.19 H HETATM 957 CB ASN A 62 55.736 -8.223 19.377 1.00 0.02 C HETATM 958 CG ASN A 62 55.271 -7.266 18.302 1.00 -0.05 C HETATM 959 CD1 ASN A 62 54.605 -6.089 18.623 1.00 -0.07 C HETATM 960 CE1 ASN A 62 54.211 -5.198 17.636 1.00 -0.04 C HETATM 961 CZ ASN A 62 54.485 -5.479 16.317 1.00 0.08 C HETATM 962 CE2 ASN A 62 55.149 -6.637 15.977 1.00 -0.04 C HETATM 963 CD2 ASN A 62 55.544 -7.518 16.965 1.00 -0.07 C HETATM 964 H41 ASN A 62 56.076 -8.422 16.691 1.00 0.05 H HETATM 965 H43 ASN A 62 55.361 -6.856 14.937 1.00 0.05 H HETATM 966 OH ASN A 62 54.097 -4.607 15.327 1.00 -0.34 O HETATM 967 H44 ASN A 62 53.506 -5.050 14.730 1.00 0.25 H HETATM 968 H42 ASN A 62 53.690 -4.285 17.902 1.00 0.05 H HETATM 969 H40 ASN A 62 54.390 -5.864 19.661 1.00 0.05 H HETATM 970 H38 ASN A 62 56.575 -8.806 18.969 1.00 0.05 H HETATM 971 H39 ASN A 62 56.086 -7.625 20.232 1.00 0.05 H HETATM 972 H37 ASN A 62 54.352 -9.836 19.055 1.00 0.08 H HETATM 973 H36 ASN A 62 53.651 -7.934 21.243 1.00 0.19 H HETATM 974 CB ASN A 62 50.516 -8.412 21.694 1.00 -0.00 C HETATM 975 CG ASN A 62 51.490 -9.186 22.608 1.00 0.00 C HETATM 976 CD ASN A 62 50.871 -9.737 23.896 1.00 0.04 C HETATM 977 OE1 ASN A 62 49.727 -10.264 23.886 1.00 -0.57 O HETATM 978 OE2 ASN A 62 51.565 -9.644 24.935 1.00 -0.57 O HETATM 979 H34 ASN A 62 52.309 -8.507 22.887 1.00 0.04 H HETATM 980 H35 ASN A 62 51.895 -10.033 22.035 1.00 0.04 H HETATM 981 H32 ASN A 62 49.785 -9.122 21.281 1.00 0.03 H HETATM 982 H33 ASN A 62 49.993 -7.657 22.299 1.00 0.03 H HETATM 983 H31 ASN A 62 51.714 -6.809 20.942 1.00 0.08 H HETATM 984 H30 ASN A 62 49.931 -7.872 18.810 1.00 0.19 H HETATM 985 CB ASN A 62 49.958 -5.188 17.112 1.00 -0.01 C HETATM 986 CG ASN A 62 50.121 -6.355 16.142 1.00 -0.04 C HETATM 987 CD ASN A 62 50.985 -5.929 14.960 1.00 -0.01 C HETATM 988 CE ASN A 62 51.283 -7.087 14.020 1.00 -0.04 C HETATM 989 NZ ASN A 62 52.004 -8.203 14.709 1.00 0.22 N HETATM 990 H27 ASN A 62 52.180 -8.946 14.051 1.00 0.20 H HETATM 991 H28 ASN A 62 51.438 -8.552 15.466 1.00 0.20 H HETATM 992 H29 ASN A 62 52.880 -7.863 15.074 1.00 0.20 H HETATM 993 H25 ASN A 62 51.907 -6.720 13.192 1.00 0.08 H HETATM 994 H26 ASN A 62 50.333 -7.472 13.620 1.00 0.08 H HETATM 995 H23 ASN A 62 51.936 -5.529 15.342 1.00 0.03 H HETATM 996 H24 ASN A 62 50.456 -5.144 14.399 1.00 0.03 H HETATM 997 H21 ASN A 62 49.131 -6.667 15.777 1.00 0.03 H HETATM 998 H22 ASN A 62 50.602 -7.197 16.661 1.00 0.03 H HETATM 999 H19 ASN A 62 50.958 -4.919 17.483 1.00 0.03 H HETATM 1000 H20 ASN A 62 49.536 -4.342 16.550 1.00 0.03 H HETATM 1001 H18 ASN A 62 48.294 -6.182 18.067 1.00 0.08 H HETATM 1002 H17 ASN A 62 48.956 -3.351 18.745 1.00 0.19 H HETATM 1003 CB ASN A 62 45.622 -2.823 20.524 1.00 0.00 C HETATM 1004 CG ASN A 62 46.028 -2.048 21.762 1.00 0.04 C HETATM 1005 CD ASN A 62 47.232 -2.673 22.461 1.00 0.17 C HETATM 1006 OE1 ASN A 62 48.179 -1.984 22.831 1.00 -0.40 O HETATM 1007 NE2 ASN A 62 47.205 -3.988 22.625 1.00 -0.30 N HETATM 1008 H15 ASN A 62 47.967 -4.451 23.077 1.00 0.18 H HETATM 1009 H16 ASN A 62 46.422 -4.517 22.297 1.00 0.18 H HETATM 1010 H13 ASN A 62 45.181 -2.030 22.463 1.00 0.05 H HETATM 1011 H14 ASN A 62 46.283 -1.019 21.469 1.00 0.05 H HETATM 1012 H11 ASN A 62 45.558 -3.887 20.795 1.00 0.03 H HETATM 1013 H12 ASN A 62 44.631 -2.465 20.209 1.00 0.03 H HETATM 1014 H10 ASN A 62 47.440 -2.090 19.635 1.00 0.08 H HETATM 1015 H9 ASN A 62 44.896 -1.975 18.247 1.00 0.19 H HETATM 1016 CB ASN A 62 46.416 0.116 15.208 1.00 0.10 C HETATM 1017 CG ASN A 62 46.779 -0.768 14.033 1.00 0.18 C HETATM 1018 OD1 ASN A 62 46.107 -1.766 13.752 1.00 -0.40 O HETATM 1019 ND2 ASN A 62 47.853 -0.405 13.334 1.00 -0.30 N HETATM 1020 H7 ASN A 62 48.144 -0.948 12.546 1.00 0.18 H HETATM 1021 H8 ASN A 62 48.368 0.411 13.597 1.00 0.18 H HETATM 1022 H5 ASN A 62 47.344 0.485 15.670 1.00 0.06 H HETATM 1023 H6 ASN A 62 45.827 0.968 14.838 1.00 0.06 H HETATM 1024 H4 ASN A 62 44.982 -1.381 15.772 1.00 0.11 H HETATM 1025 H1 ASN A 62 44.112 0.765 16.281 1.00 0.20 H HETATM 1026 H2 ASN A 62 45.254 1.006 17.442 1.00 0.20 H HETATM 1027 H3 ASN A 62 44.139 -0.192 17.620 1.00 0.20 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 896 897 1025 1026 1027 CONECT 897 896 898 1016 1024 CONECT 898 897 899 900 CONECT 899 898 CONECT 900 898 901 1015 CONECT 901 900 902 1003 1014 CONECT 902 901 903 904 CONECT 903 902 CONECT 904 902 905 1002 CONECT 905 904 906 985 1001 CONECT 906 905 907 908 CONECT 907 906 CONECT 908 906 909 984 CONECT 909 908 910 974 983 CONECT 910 909 911 912 CONECT 911 910 CONECT 912 910 913 973 CONECT 913 912 914 957 972 CONECT 914 913 915 916 CONECT 915 914 CONECT 916 914 917 956 CONECT 917 916 918 941 955 CONECT 918 917 919 920 CONECT 919 918 CONECT 920 918 921 940 CONECT 921 920 922 925 939 CONECT 922 921 923 924 CONECT 923 922 CONECT 924 922 CONECT 925 921 926 937 938 CONECT 926 925 927 931 CONECT 927 926 928 936 CONECT 928 927 929 935 CONECT 929 928 930 934 CONECT 930 929 931 933 CONECT 931 926 930 932 CONECT 932 931 CONECT 933 930 CONECT 934 929 CONECT 935 928 CONECT 936 927 CONECT 937 925 CONECT 938 925 CONECT 939 921 CONECT 940 920 CONECT 941 917 942 953 954 CONECT 942 941 943 947 CONECT 943 942 944 952 CONECT 944 943 945 951 CONECT 945 944 946 950 CONECT 946 945 947 949 CONECT 947 942 946 948 CONECT 948 947 CONECT 949 946 CONECT 950 945 CONECT 951 944 CONECT 952 943 CONECT 953 941 CONECT 954 941 CONECT 955 917 CONECT 956 916 CONECT 957 913 958 970 971 CONECT 958 957 959 963 CONECT 959 958 960 969 CONECT 960 959 961 968 CONECT 961 960 962 966 CONECT 962 961 963 965 CONECT 963 958 962 964 CONECT 964 963 CONECT 965 962 CONECT 966 961 967 CONECT 967 966 CONECT 968 960 CONECT 969 959 CONECT 970 957 CONECT 971 957 CONECT 972 913 CONECT 973 912 CONECT 974 909 975 981 982 CONECT 975 974 976 979 980 CONECT 976 975 977 978 CONECT 977 976 CONECT 978 976 CONECT 979 975 CONECT 980 975 CONECT 981 974 CONECT 982 974 CONECT 983 909 CONECT 984 908 CONECT 985 905 986 999 1000 CONECT 986 985 987 997 998 CONECT 987 986 988 995 996 CONECT 988 987 989 993 994 CONECT 989 988 990 991 992 CONECT 990 989 CONECT 991 989 CONECT 992 989 CONECT 993 988 CONECT 994 988 CONECT 995 987 CONECT 996 987 CONECT 997 986 CONECT 998 986 CONECT 999 985 CONECT 1000 985 CONECT 1001 905 CONECT 1002 904 CONECT 1003 901 1004 1012 1013 CONECT 1004 1003 1005 1010 1011 CONECT 1005 1004 1006 1007 CONECT 1006 1005 CONECT 1007 1005 1008 1009 CONECT 1008 1007 CONECT 1009 1007 CONECT 1010 1004 CONECT 1011 1004 CONECT 1012 1003 CONECT 1013 1003 CONECT 1014 901 CONECT 1015 900 CONECT 1016 897 1017 1022 1023 CONECT 1017 1016 1018 1019 CONECT 1018 1017 CONECT 1019 1017 1020 1021 CONECT 1020 1019 CONECT 1021 1019 CONECT 1022 1016 CONECT 1023 1016 CONECT 1024 897 CONECT 1025 896 CONECT 1026 896 CONECT 1027 896 MASTER 0 0 0 0 0 0 0 0 1026 1 136 7 END
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Related entries of code: 4nxq
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%
4gvd
RCSB PDB
PDBbind
94aa, >4GVD_1|Chains... at 100%
4nxr
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PDBbind
94aa, >4NXR_1|Chain... at 95%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1fo0
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PDBbind
8-mer
1fzj
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1fzm
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8-mer
1lek
RCSB PDB
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1nlp
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1nzl
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1nzv
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1obx
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1okx
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PDBbind
8-mer
1p2g
RCSB PDB
PDBbind
8-mer
1pig
RCSB PDB
PDBbind
8-mer
1pz5
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PDBbind
8-mer
1qja
RCSB PDB
PDBbind
8-mer
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1qr3
RCSB PDB
PDBbind
8-mer
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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
4gvd
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
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
4nxq
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
T-lymphoma invasion and metastasis-inducing protein 1
Ligand Name
8-mer
EC.Number
E.C.-.-.-.-
Resolution
2.1(Å)
Affinity (Kd/Ki/IC50)
Kd=18uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Structure Vol. 24: pp. 2053-2066
Ligand Properties
Formula
C
4
7
H
6
4
N
1
0
O
1
3
Molecular Weight
977.070
Exact Mass
976.465
No. of atoms
134
No. of bonds
136
Polar Surface Area
410.89
LOGP Value
-3.49 (
Computed with XLOGP3
)
0.19 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 11
No. of Hydrogen Bond Acceptors: 13
No. of Rotatable Bonds: 36
No. of Nitrogen and Oxygen Atoms: 23
No. of Rings: 3
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)O)Cc1ccccc1)Cc1ccccc1)Cc1ccc(cc1)O)CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N)[NH3+])CCC(=O)N
InChI String
InChI=1S/C47H62N10O13/c48-22-8-7-13-32(53-43(65)33(18-20-38(50)59)52-41(63)31(49)26-39(51)60)42(64)54-34(19-21-40(61)62)44(66)55-36(24-29-14-16-30(58)17-15-29)45(67)56-35(23-27-9-3-1-4-10-27)46(68)57-37(47(69)70)25-28-11-5-2-6-12-28/h1-6,9-12,14-17,31-37,58H,7-8,13,18-26,48-49H2,(H2,50,59)(H2,51,60)(H,52,63)(H,53,65)(H,54,64)(H,55,66)(H,56,67)(H,57,68)(H,61,62)(H,69,70)/p+2/t31-,32-,33-,34-,35-,36-,37-/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):
Q9C0A0
Q13009
Entrez Gene ID
NCBI Entrez Gene ID:
85445
7074
ASD
Information of known allosteric effects of PDB entries
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