Browse entries in the PDBbind-CN Database
HEADER 5ZYS_COMPLEX COMPND 5ZYS_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 90 ASP TYR GLN GLU GLN ASP ILE PHE LEU TRP ARG LYS GLU SEQRES 2 A 90 THR GLY PHE GLY PHE ARG ILE LEU GLY GLY ASN GLU PRO SEQRES 3 A 90 GLY GLU PRO ILE TYR ILE GLY HIS ILE VAL PRO LEU GLY SEQRES 4 A 90 ALA ALA ASP THR ASP GLY ARG LEU ARG SER GLY ASP GLU SEQRES 5 A 90 LEU ILE CYS VAL ASP GLY THR PRO VAL ILE GLY LYS SER SEQRES 6 A 90 HIS GLN LEU VAL VAL GLN LEU MET GLN GLN ALA ALA LYS SEQRES 7 A 90 GLN GLY HIS VAL ASN LEU THR VAL ARG ARG LYS VAL HET LEU A 179 173 ATOM 1 N ASP A 828 -29.959 18.863 -32.675 1.00 29.36 N ATOM 2 CA ASP A 828 -29.502 18.916 -31.291 1.00 31.08 C ATOM 3 C ASP A 828 -28.870 17.599 -30.854 1.00 28.46 C ATOM 4 O ASP A 828 -28.619 17.382 -29.669 1.00 33.26 O ATOM 5 CB ASP A 828 -30.666 19.267 -30.357 1.00 49.59 C ATOM 6 CG ASP A 828 -31.791 18.243 -30.410 1.00 71.86 C ATOM 7 OD1 ASP A 828 -31.769 17.372 -31.306 1.00 40.04 O ATOM 8 OD2 ASP A 828 -32.699 18.306 -29.551 1.00 58.04 O ATOM 9 HN3 ASP A 828 -30.669 18.110 -32.776 1.00 0.00 H ATOM 10 HN2 ASP A 828 -29.150 18.665 -33.298 1.00 0.00 H ATOM 11 HN1 ASP A 828 -30.382 19.777 -32.934 1.00 0.00 H ATOM 12 N TYR A 829 -28.602 16.724 -31.815 1.00 27.61 N ATOM 13 CA TYR A 829 -28.187 15.369 -31.483 1.00 20.24 C ATOM 14 C TYR A 829 -26.866 14.967 -32.115 1.00 18.64 C ATOM 15 O TYR A 829 -26.431 15.554 -33.102 1.00 23.00 O ATOM 16 CB TYR A 829 -29.262 14.373 -31.919 1.00 22.80 C ATOM 17 CG TYR A 829 -29.597 14.466 -33.390 1.00 22.18 C ATOM 18 CD1 TYR A 829 -28.832 13.798 -34.343 1.00 25.78 C ATOM 19 CD2 TYR A 829 -30.681 15.218 -33.829 1.00 25.38 C ATOM 20 CE1 TYR A 829 -29.133 13.881 -35.688 1.00 27.86 C ATOM 21 CE2 TYR A 829 -30.990 15.303 -35.176 1.00 35.17 C ATOM 22 CZ TYR A 829 -30.214 14.634 -36.099 1.00 34.87 C ATOM 23 OH TYR A 829 -30.510 14.715 -37.442 1.00 39.39 O ATOM 24 HH TYR A 829 -29.856 14.178 -37.956 1.00 0.00 H ATOM 25 H TYR A 829 -28.689 17.008 -32.812 1.00 0.00 H ATOM 26 N GLN A 830 -26.255 13.946 -31.529 1.00 20.53 N ATOM 27 CA GLN A 830 -25.173 13.205 -32.160 1.00 22.54 C ATOM 28 C GLN A 830 -25.730 11.866 -32.620 1.00 25.07 C ATOM 29 O GLN A 830 -26.507 11.247 -31.904 1.00 26.43 O ATOM 30 CB GLN A 830 -24.011 12.990 -31.188 1.00 23.58 C ATOM 31 H GLN A 830 -26.563 13.663 -30.577 1.00 0.00 H ATOM 32 N GLU A 831 -25.329 11.410 -33.801 1.00 14.67 N ATOM 33 CA GLU A 831 -25.790 10.117 -34.294 1.00 13.35 C ATOM 34 C GLU A 831 -24.679 9.068 -34.224 1.00 19.41 C ATOM 35 O GLU A 831 -23.517 9.374 -34.479 1.00 21.60 O ATOM 36 CB GLU A 831 -26.292 10.265 -35.725 1.00 25.04 C ATOM 37 CG GLU A 831 -27.191 9.157 -36.196 1.00 26.14 C ATOM 38 CD GLU A 831 -27.821 9.472 -37.535 1.00 16.93 C ATOM 39 OE1 GLU A 831 -27.453 8.805 -38.517 1.00 24.04 O ATOM 40 OE2 GLU A 831 -28.685 10.377 -37.599 1.00 22.21 O ATOM 41 H GLU A 831 -24.680 11.980 -34.380 1.00 0.00 H ATOM 42 N GLN A 832 -25.028 7.834 -33.871 1.00 16.12 N ATOM 43 CA GLN A 832 -24.041 6.763 -33.813 1.00 16.88 C ATOM 44 C GLN A 832 -24.579 5.505 -34.476 1.00 21.42 C ATOM 45 O GLN A 832 -25.758 5.187 -34.332 1.00 19.87 O ATOM 46 CB GLN A 832 -23.653 6.480 -32.359 1.00 25.15 C ATOM 47 CG GLN A 832 -22.242 5.970 -32.183 1.00 55.37 C ATOM 48 CD GLN A 832 -21.802 5.988 -30.734 1.00 26.90 C ATOM 49 OE1 GLN A 832 -22.541 6.437 -29.854 1.00 34.36 O ATOM 50 NE2 GLN A 832 -20.589 5.519 -30.480 1.00 35.71 N ATOM 51 HE22 GLN A 832 -20.001 5.150 -31.255 1.00 0.00 H ATOM 52 HE21 GLN A 832 -20.225 5.520 -29.506 1.00 0.00 H ATOM 53 H GLN A 832 -26.020 7.630 -33.633 1.00 0.00 H ATOM 54 N ASP A 833 -23.720 4.799 -35.213 1.00 17.09 N ATOM 55 CA ASP A 833 -24.082 3.510 -35.794 1.00 16.57 C ATOM 56 C ASP A 833 -23.347 2.424 -35.026 1.00 26.64 C ATOM 57 O ASP A 833 -22.121 2.359 -35.050 1.00 27.40 O ATOM 58 CB ASP A 833 -23.737 3.455 -37.291 1.00 21.86 C ATOM 59 CG ASP A 833 -24.256 2.188 -37.985 1.00 61.17 C ATOM 60 OD1 ASP A 833 -24.629 1.195 -37.314 1.00 39.23 O ATOM 61 OD2 ASP A 833 -24.290 2.191 -39.233 1.00 75.09 O ATOM 62 H ASP A 833 -22.766 5.178 -35.378 1.00 0.00 H ATOM 63 N ILE A 834 -24.110 1.572 -34.354 1.00 14.23 N ATOM 64 CA ILE A 834 -23.559 0.587 -33.436 1.00 12.24 C ATOM 65 C ILE A 834 -23.844 -0.823 -33.925 1.00 17.20 C ATOM 66 O ILE A 834 -24.977 -1.156 -34.265 1.00 21.70 O ATOM 67 CB ILE A 834 -24.148 0.766 -32.012 1.00 16.28 C ATOM 68 CG1 ILE A 834 -23.780 2.141 -31.461 1.00 19.18 C ATOM 69 CG2 ILE A 834 -23.664 -0.329 -31.076 1.00 17.42 C ATOM 70 CD1 ILE A 834 -24.591 2.554 -30.235 1.00 15.81 C ATOM 71 H ILE A 834 -25.141 1.610 -34.488 1.00 0.00 H ATOM 72 N PHE A 835 -22.805 -1.646 -33.979 1.00 15.87 N ATOM 73 CA PHE A 835 -22.963 -3.048 -34.336 1.00 21.11 C ATOM 74 C PHE A 835 -22.770 -3.891 -33.090 1.00 15.95 C ATOM 75 O PHE A 835 -21.817 -3.674 -32.348 1.00 15.73 O ATOM 76 CB PHE A 835 -21.953 -3.463 -35.415 1.00 16.37 C ATOM 77 CG PHE A 835 -21.964 -4.939 -35.718 1.00 16.92 C ATOM 78 CD1 PHE A 835 -22.811 -5.453 -36.689 1.00 17.88 C ATOM 79 CD2 PHE A 835 -21.143 -5.815 -35.016 1.00 15.85 C ATOM 80 CE1 PHE A 835 -22.831 -6.815 -36.968 1.00 18.37 C ATOM 81 CE2 PHE A 835 -21.164 -7.176 -35.279 1.00 16.24 C ATOM 82 CZ PHE A 835 -22.011 -7.678 -36.260 1.00 16.21 C ATOM 83 H PHE A 835 -21.856 -1.281 -33.761 1.00 0.00 H ATOM 84 N LEU A 836 -23.657 -4.858 -32.877 1.00 15.60 N ATOM 85 CA LEU A 836 -23.538 -5.785 -31.753 1.00 17.33 C ATOM 86 C LEU A 836 -23.667 -7.233 -32.199 1.00 12.90 C ATOM 87 O LEU A 836 -24.582 -7.564 -32.951 1.00 15.92 O ATOM 88 CB LEU A 836 -24.620 -5.511 -30.697 1.00 15.57 C ATOM 89 CG LEU A 836 -24.734 -4.120 -30.079 1.00 13.77 C ATOM 90 CD1 LEU A 836 -25.983 -4.052 -29.197 1.00 15.35 C ATOM 91 CD2 LEU A 836 -23.500 -3.802 -29.272 1.00 17.61 C ATOM 92 H LEU A 836 -24.460 -4.958 -33.530 1.00 0.00 H ATOM 93 N TRP A 837 -22.770 -8.096 -31.725 1.00 15.27 N ATOM 94 CA TRP A 837 -23.004 -9.535 -31.805 1.00 14.22 C ATOM 95 C TRP A 837 -23.996 -9.921 -30.717 1.00 15.51 C ATOM 96 O TRP A 837 -23.887 -9.440 -29.595 1.00 18.13 O ATOM 97 CB TRP A 837 -21.720 -10.344 -31.608 1.00 16.82 C ATOM 98 CG TRP A 837 -20.713 -10.239 -32.700 1.00 14.61 C ATOM 99 CD1 TRP A 837 -19.492 -9.649 -32.625 1.00 21.76 C ATOM 100 CD2 TRP A 837 -20.833 -10.759 -34.033 1.00 19.41 C ATOM 101 NE1 TRP A 837 -18.838 -9.760 -33.830 1.00 19.60 N ATOM 102 CE2 TRP A 837 -19.639 -10.433 -34.709 1.00 22.79 C ATOM 103 CE3 TRP A 837 -21.833 -11.453 -34.716 1.00 18.24 C ATOM 104 CZ2 TRP A 837 -19.418 -10.785 -36.042 1.00 19.47 C ATOM 105 CZ3 TRP A 837 -21.610 -11.805 -36.044 1.00 20.19 C ATOM 106 CH2 TRP A 837 -20.408 -11.468 -36.690 1.00 19.03 C ATOM 107 HE1 TRP A 837 -17.888 -9.392 -34.038 1.00 0.00 H ATOM 108 H TRP A 837 -21.893 -7.741 -31.293 1.00 0.00 H ATOM 109 N ARG A 838 -24.946 -10.789 -31.038 1.00 15.70 N ATOM 110 CA ARG A 838 -25.874 -11.282 -30.025 1.00 16.02 C ATOM 111 C ARG A 838 -25.153 -12.231 -29.075 1.00 34.27 C ATOM 112 O ARG A 838 -24.269 -12.979 -29.492 1.00 24.33 O ATOM 113 CB ARG A 838 -27.060 -11.994 -30.673 1.00 21.40 C ATOM 114 CG ARG A 838 -28.209 -12.235 -29.712 1.00 21.41 C ATOM 115 CD ARG A 838 -29.323 -13.043 -30.337 1.00 30.89 C ATOM 116 NE ARG A 838 -30.563 -12.865 -29.587 1.00 77.20 N ATOM 117 CZ ARG A 838 -31.021 -13.717 -28.676 1.00 55.19 C ATOM 118 NH1 ARG A 838 -30.346 -14.827 -28.397 1.00 49.97 N ATOM 119 NH2 ARG A 838 -32.158 -13.456 -28.043 1.00 24.79 N ATOM 120 HE ARG A 838 -31.127 -12.012 -29.779 1.00 0.00 H ATOM 121 HH12 ARG A 838 -30.709 -15.491 -27.683 1.00 0.00 H ATOM 122 HH11 ARG A 838 -29.455 -15.032 -28.892 1.00 0.00 H ATOM 123 HH22 ARG A 838 -32.520 -14.120 -27.329 1.00 0.00 H ATOM 124 HH21 ARG A 838 -32.687 -12.587 -28.261 1.00 0.00 H ATOM 125 H ARG A 838 -25.030 -11.121 -32.020 1.00 0.00 H ATOM 126 N LYS A 839 -25.515 -12.184 -27.797 1.00 21.53 N ATOM 127 CA LYS A 839 -25.078 -13.204 -26.848 1.00 23.65 C ATOM 128 C LYS A 839 -26.218 -14.201 -26.672 1.00 21.82 C ATOM 129 O LYS A 839 -27.307 -13.993 -27.198 1.00 27.47 O ATOM 130 CB LYS A 839 -24.679 -12.580 -25.513 1.00 27.92 C ATOM 131 CG LYS A 839 -23.484 -11.641 -25.602 1.00 36.12 C ATOM 132 CD LYS A 839 -23.236 -10.932 -24.280 1.00 44.96 C ATOM 133 CE LYS A 839 -21.938 -11.387 -23.637 1.00 63.65 C ATOM 134 NZ LYS A 839 -20.754 -10.980 -24.440 1.00 37.63 N ATOM 135 HZ1 LYS A 839 -20.817 -11.404 -25.388 1.00 0.00 H ATOM 136 HZ2 LYS A 839 -20.733 -9.944 -24.523 1.00 0.00 H ATOM 137 HZ3 LYS A 839 -19.887 -11.309 -23.969 1.00 0.00 H ATOM 138 H LYS A 839 -26.121 -11.406 -27.467 1.00 0.00 H ATOM 139 N GLU A 840 -25.978 -15.287 -25.943 1.00 27.23 N ATOM 140 CA GLU A 840 -27.032 -16.272 -25.706 1.00 27.68 C ATOM 141 C GLU A 840 -28.244 -15.628 -25.031 1.00 27.47 C ATOM 142 O GLU A 840 -29.377 -16.078 -25.191 1.00 32.22 O ATOM 143 CB GLU A 840 -26.506 -17.431 -24.855 1.00 37.43 C ATOM 144 CG GLU A 840 -26.098 -18.653 -25.663 1.00 52.07 C ATOM 145 CD GLU A 840 -27.245 -19.216 -26.481 1.00 71.09 C ATOM 146 OE1 GLU A 840 -28.264 -19.620 -25.885 1.00 70.65 O ATOM 147 OE2 GLU A 840 -27.129 -19.248 -27.724 1.00 68.30 O ATOM 148 H GLU A 840 -25.032 -15.437 -25.538 1.00 0.00 H ATOM 149 N THR A 841 -27.988 -14.556 -24.293 1.00 24.14 N ATOM 150 CA THR A 841 -29.024 -13.871 -23.535 1.00 24.88 C ATOM 151 C THR A 841 -29.632 -12.681 -24.285 1.00 48.94 C ATOM 152 O THR A 841 -30.449 -11.952 -23.727 1.00 33.58 O ATOM 153 CB THR A 841 -28.472 -13.362 -22.207 1.00 20.42 C ATOM 154 OG1 THR A 841 -27.315 -12.558 -22.458 1.00 27.68 O ATOM 155 CG2 THR A 841 -28.073 -14.529 -21.310 1.00 29.79 C ATOM 156 HG1 THR A 841 -26.953 -12.225 -21.599 1.00 0.00 H ATOM 157 H THR A 841 -27.014 -14.193 -24.255 1.00 0.00 H ATOM 158 N GLY A 842 -29.224 -12.476 -25.536 1.00 23.01 N ATOM 159 CA GLY A 842 -29.737 -11.366 -26.330 1.00 27.06 C ATOM 160 C GLY A 842 -28.722 -10.248 -26.503 1.00 25.19 C ATOM 161 O GLY A 842 -27.522 -10.475 -26.373 1.00 27.26 O ATOM 162 H GLY A 842 -28.525 -13.121 -25.955 1.00 0.00 H ATOM 163 N PHE A 843 -29.202 -9.037 -26.788 1.00 14.87 N ATOM 164 CA PHE A 843 -28.313 -7.895 -26.991 1.00 15.86 C ATOM 165 C PHE A 843 -28.102 -7.047 -25.734 1.00 15.69 C ATOM 166 O PHE A 843 -27.213 -6.203 -25.699 1.00 17.55 O ATOM 167 CB PHE A 843 -28.845 -7.017 -28.127 1.00 16.38 C ATOM 168 CG PHE A 843 -28.879 -7.710 -29.461 1.00 18.03 C ATOM 169 CD1 PHE A 843 -27.711 -7.906 -30.186 1.00 21.59 C ATOM 170 CD2 PHE A 843 -30.074 -8.170 -29.988 1.00 21.75 C ATOM 171 CE1 PHE A 843 -27.737 -8.548 -31.417 1.00 16.56 C ATOM 172 CE2 PHE A 843 -30.109 -8.809 -31.220 1.00 21.13 C ATOM 173 CZ PHE A 843 -28.937 -8.999 -31.937 1.00 16.55 C ATOM 174 H PHE A 843 -30.230 -8.902 -26.867 1.00 0.00 H ATOM 175 N GLY A 844 -28.917 -7.256 -24.704 1.00 16.78 N ATOM 176 CA GLY A 844 -28.625 -6.653 -23.414 1.00 16.99 C ATOM 177 C GLY A 844 -29.127 -5.237 -23.190 1.00 15.22 C ATOM 178 O GLY A 844 -28.476 -4.434 -22.516 1.00 17.04 O ATOM 179 H GLY A 844 -29.762 -7.850 -24.821 1.00 0.00 H ATOM 180 N PHE A 845 -30.285 -4.909 -23.748 1.00 17.07 N ATOM 181 CA PHE A 845 -30.882 -3.616 -23.437 1.00 14.97 C ATOM 182 C PHE A 845 -32.393 -3.656 -23.595 1.00 15.34 C ATOM 183 O PHE A 845 -32.941 -4.512 -24.291 1.00 14.89 O ATOM 184 CB PHE A 845 -30.282 -2.488 -24.303 1.00 19.08 C ATOM 185 CG PHE A 845 -30.543 -2.627 -25.789 1.00 15.74 C ATOM 186 CD1 PHE A 845 -29.700 -3.385 -26.588 1.00 20.47 C ATOM 187 CD2 PHE A 845 -31.609 -1.973 -26.386 1.00 13.39 C ATOM 188 CE1 PHE A 845 -29.927 -3.506 -27.949 1.00 20.43 C ATOM 189 CE2 PHE A 845 -31.844 -2.087 -27.753 1.00 19.17 C ATOM 190 CZ PHE A 845 -31.000 -2.851 -28.537 1.00 19.95 C ATOM 191 H PHE A 845 -30.761 -5.566 -24.399 1.00 0.00 H ATOM 192 N ARG A 846 -33.062 -2.725 -22.926 1.00 13.97 N ATOM 193 CA ARG A 846 -34.509 -2.639 -23.008 1.00 13.44 C ATOM 194 C ARG A 846 -34.924 -1.510 -23.943 1.00 14.71 C ATOM 195 O ARG A 846 -34.247 -0.483 -24.037 1.00 15.20 O ATOM 196 CB ARG A 846 -35.109 -2.445 -21.613 1.00 16.36 C ATOM 197 CG ARG A 846 -34.620 -3.477 -20.612 1.00 16.13 C ATOM 198 CD ARG A 846 -35.379 -3.395 -19.288 1.00 20.26 C ATOM 199 NE ARG A 846 -36.676 -4.039 -19.425 1.00 27.95 N ATOM 200 CZ ARG A 846 -36.924 -5.303 -19.104 1.00 15.16 C ATOM 201 NH1 ARG A 846 -38.138 -5.794 -19.287 1.00 17.80 N ATOM 202 NH2 ARG A 846 -35.973 -6.064 -18.574 1.00 18.95 N ATOM 203 HE ARG A 846 -37.462 -3.471 -19.800 1.00 0.00 H ATOM 204 HH12 ARG A 846 -38.342 -6.783 -19.038 1.00 0.00 H ATOM 205 HH11 ARG A 846 -38.889 -5.191 -19.679 1.00 0.00 H ATOM 206 HH22 ARG A 846 -36.177 -7.053 -18.326 1.00 0.00 H ATOM 207 HH21 ARG A 846 -35.025 -5.671 -18.407 1.00 0.00 H ATOM 208 H ARG A 846 -32.542 -2.047 -22.334 1.00 0.00 H ATOM 209 N ILE A 847 -36.030 -1.720 -24.650 1.00 13.43 N ATOM 210 CA ILE A 847 -36.529 -0.728 -25.594 1.00 12.76 C ATOM 211 C ILE A 847 -37.851 -0.152 -25.121 1.00 15.55 C ATOM 212 O ILE A 847 -38.782 -0.892 -24.778 1.00 16.43 O ATOM 213 CB ILE A 847 -36.707 -1.325 -26.993 1.00 15.93 C ATOM 214 CG1 ILE A 847 -35.351 -1.777 -27.539 1.00 17.85 C ATOM 215 CG2 ILE A 847 -37.362 -0.312 -27.927 1.00 19.46 C ATOM 216 CD1 ILE A 847 -35.447 -2.526 -28.847 1.00 17.57 C ATOM 217 H ILE A 847 -36.551 -2.612 -24.527 1.00 0.00 H ATOM 218 N LEU A 848 -37.911 1.175 -25.109 1.00 14.96 N ATOM 219 CA LEU A 848 -39.055 1.933 -24.630 1.00 16.88 C ATOM 220 C LEU A 848 -39.635 2.785 -25.747 1.00 11.96 C ATOM 221 O LEU A 848 -38.953 3.072 -26.732 1.00 12.93 O ATOM 222 CB LEU A 848 -38.637 2.831 -23.460 1.00 13.47 C ATOM 223 CG LEU A 848 -38.334 2.139 -22.131 1.00 16.85 C ATOM 224 CD1 LEU A 848 -37.491 3.047 -21.259 1.00 30.78 C ATOM 225 CD2 LEU A 848 -39.620 1.833 -21.430 1.00 35.44 C ATOM 226 H LEU A 848 -37.089 1.704 -25.464 1.00 0.00 H ATOM 227 N GLY A 849 -40.893 3.186 -25.595 1.00 11.79 N ATOM 228 CA GLY A 849 -41.468 4.207 -26.456 1.00 10.82 C ATOM 229 C GLY A 849 -42.117 3.677 -27.717 1.00 13.69 C ATOM 230 O GLY A 849 -42.295 2.473 -27.876 1.00 14.37 O ATOM 231 H GLY A 849 -41.477 2.762 -24.846 1.00 0.00 H ATOM 232 N GLY A 850 -42.472 4.586 -28.619 1.00 10.72 N ATOM 233 CA GLY A 850 -43.180 4.217 -29.834 1.00 13.24 C ATOM 234 C GLY A 850 -44.566 3.658 -29.565 1.00 13.12 C ATOM 235 O GLY A 850 -45.104 2.891 -30.368 1.00 13.78 O ATOM 236 H GLY A 850 -42.238 5.585 -28.452 1.00 0.00 H ATOM 237 N ASN A 851 -45.153 4.035 -28.431 1.00 14.72 N ATOM 238 CA ASN A 851 -46.457 3.497 -28.049 1.00 13.51 C ATOM 239 C ASN A 851 -47.596 4.394 -28.517 1.00 18.23 C ATOM 240 O ASN A 851 -48.680 3.919 -28.835 1.00 17.59 O ATOM 241 CB ASN A 851 -46.535 3.306 -26.531 1.00 12.71 C ATOM 242 CG ASN A 851 -45.436 2.395 -25.999 1.00 16.61 C ATOM 243 OD1 ASN A 851 -45.238 1.286 -26.493 1.00 17.36 O ATOM 244 ND2 ASN A 851 -44.696 2.878 -25.003 1.00 16.07 N ATOM 245 HD22 ASN A 851 -44.898 3.821 -24.615 1.00 0.00 H ATOM 246 HD21 ASN A 851 -43.916 2.312 -24.613 1.00 0.00 H ATOM 247 H ASN A 851 -44.678 4.720 -27.810 1.00 0.00 H ATOM 248 N GLU A 852 -47.348 5.697 -28.539 1.00 15.70 N ATOM 249 CA GLU A 852 -48.354 6.656 -28.984 1.00 17.17 C ATOM 250 C GLU A 852 -47.838 7.321 -30.252 1.00 16.01 C ATOM 251 O GLU A 852 -46.628 7.335 -30.489 1.00 15.19 O ATOM 252 CB GLU A 852 -48.649 7.686 -27.882 1.00 21.27 C ATOM 253 CG GLU A 852 -48.949 7.086 -26.489 1.00 30.12 C ATOM 254 CD GLU A 852 -50.192 6.191 -26.450 1.00 62.15 C ATOM 255 OE1 GLU A 852 -51.043 6.298 -27.357 1.00 37.74 O ATOM 256 OE2 GLU A 852 -50.324 5.378 -25.503 1.00 35.04 O ATOM 257 H GLU A 852 -46.416 6.043 -28.232 1.00 0.00 H ATOM 258 N PRO A 853 -48.744 7.858 -31.087 1.00 14.87 N ATOM 259 CA PRO A 853 -48.303 8.534 -32.311 1.00 15.19 C ATOM 260 C PRO A 853 -47.259 9.611 -32.018 1.00 15.31 C ATOM 261 O PRO A 853 -47.430 10.420 -31.097 1.00 20.43 O ATOM 262 CB PRO A 853 -49.597 9.145 -32.860 1.00 19.55 C ATOM 263 CG PRO A 853 -50.666 8.243 -32.356 1.00 15.18 C ATOM 264 CD PRO A 853 -50.213 7.822 -30.978 1.00 17.63 C ATOM 265 N GLY A 854 -46.165 9.580 -32.770 1.00 20.29 N ATOM 266 CA GLY A 854 -45.104 10.555 -32.607 1.00 24.86 C ATOM 267 C GLY A 854 -44.154 10.301 -31.451 1.00 24.74 C ATOM 268 O GLY A 854 -43.126 10.967 -31.348 1.00 25.07 O ATOM 269 H GLY A 854 -46.067 8.839 -33.493 1.00 0.00 H ATOM 270 N GLU A 855 -44.481 9.352 -30.576 1.00 15.50 N ATOM 271 CA GLU A 855 -43.601 9.058 -29.442 1.00 14.99 C ATOM 272 C GLU A 855 -42.319 8.358 -29.885 1.00 17.81 C ATOM 273 O GLU A 855 -42.367 7.289 -30.491 1.00 12.93 O ATOM 274 CB GLU A 855 -44.310 8.181 -28.405 1.00 14.01 C ATOM 275 CG GLU A 855 -43.484 7.982 -27.143 1.00 12.81 C ATOM 276 CD GLU A 855 -44.123 7.017 -26.166 1.00 27.34 C ATOM 277 OE1 GLU A 855 -44.921 6.167 -26.605 1.00 18.22 O ATOM 278 OE2 GLU A 855 -43.820 7.102 -24.959 1.00 37.49 O ATOM 279 H GLU A 855 -45.365 8.817 -30.698 1.00 0.00 H ATOM 280 N PRO A 856 -41.159 8.940 -29.551 1.00 13.48 N ATOM 281 CA PRO A 856 -39.882 8.340 -29.951 1.00 13.07 C ATOM 282 C PRO A 856 -39.668 6.954 -29.365 1.00 13.72 C ATOM 283 O PRO A 856 -40.250 6.598 -28.337 1.00 13.38 O ATOM 284 CB PRO A 856 -38.838 9.307 -29.381 1.00 17.92 C ATOM 285 CG PRO A 856 -39.571 10.565 -29.090 1.00 20.60 C ATOM 286 CD PRO A 856 -40.977 10.185 -28.784 1.00 15.07 C ATOM 287 N ILE A 857 -38.828 6.181 -30.039 1.00 11.66 N ATOM 288 CA ILE A 857 -38.374 4.894 -29.552 1.00 10.72 C ATOM 289 C ILE A 857 -36.987 5.100 -28.949 1.00 13.31 C ATOM 290 O ILE A 857 -36.137 5.759 -29.549 1.00 16.93 O ATOM 291 CB ILE A 857 -38.327 3.862 -30.697 1.00 10.07 C ATOM 292 CG1 ILE A 857 -39.734 3.642 -31.260 1.00 15.40 C ATOM 293 CG2 ILE A 857 -37.758 2.556 -30.211 1.00 12.12 C ATOM 294 CD1 ILE A 857 -39.731 3.191 -32.695 1.00 26.44 C ATOM 295 H ILE A 857 -38.479 6.514 -30.960 1.00 0.00 H ATOM 296 N TYR A 858 -36.742 4.579 -27.754 1.00 12.75 N ATOM 297 CA TYR A 858 -35.464 4.889 -27.133 1.00 14.53 C ATOM 298 C TYR A 858 -35.001 3.799 -26.185 1.00 15.22 C ATOM 299 O TYR A 858 -35.756 2.883 -25.846 1.00 16.17 O ATOM 300 CB TYR A 858 -35.543 6.232 -26.404 1.00 13.20 C ATOM 301 CG TYR A 858 -36.642 6.277 -25.379 1.00 15.04 C ATOM 302 CD1 TYR A 858 -37.944 6.626 -25.734 1.00 20.01 C ATOM 303 CD2 TYR A 858 -36.389 5.938 -24.064 1.00 21.18 C ATOM 304 CE1 TYR A 858 -38.958 6.646 -24.792 1.00 18.69 C ATOM 305 CE2 TYR A 858 -37.387 5.955 -23.128 1.00 23.83 C ATOM 306 CZ TYR A 858 -38.664 6.308 -23.488 1.00 24.47 C ATOM 307 OH TYR A 858 -39.643 6.313 -22.526 1.00 30.69 O ATOM 308 HH TYR A 858 -40.503 6.586 -22.933 1.00 0.00 H ATOM 309 H TYR A 858 -37.439 3.971 -27.278 1.00 0.00 H ATOM 310 N ILE A 859 -33.741 3.901 -25.783 1.00 12.57 N ATOM 311 CA ILE A 859 -33.097 2.881 -24.970 1.00 12.77 C ATOM 312 C ILE A 859 -33.404 3.076 -23.489 1.00 16.33 C ATOM 313 O ILE A 859 -33.256 4.174 -22.952 1.00 16.37 O ATOM 314 CB ILE A 859 -31.565 2.898 -25.178 1.00 12.70 C ATOM 315 CG1 ILE A 859 -31.225 2.792 -26.670 1.00 9.96 C ATOM 316 CG2 ILE A 859 -30.893 1.787 -24.385 1.00 14.92 C ATOM 317 CD1 ILE A 859 -31.853 1.591 -27.375 1.00 14.25 C ATOM 318 H ILE A 859 -33.193 4.741 -26.059 1.00 0.00 H ATOM 319 N GLY A 860 -33.848 2.006 -22.842 1.00 11.29 N ATOM 320 CA GLY A 860 -34.033 2.015 -21.402 1.00 15.58 C ATOM 321 C GLY A 860 -32.804 1.446 -20.713 1.00 14.19 C ATOM 322 O GLY A 860 -31.674 1.784 -21.054 1.00 15.26 O ATOM 323 H GLY A 860 -34.068 1.142 -23.378 1.00 0.00 H ATOM 324 N HIS A 861 -33.041 0.574 -19.743 1.00 13.30 N ATOM 325 CA HIS A 861 -31.982 -0.104 -18.995 1.00 14.22 C ATOM 326 C HIS A 861 -31.017 -0.878 -19.892 1.00 20.46 C ATOM 327 O HIS A 861 -31.442 -1.591 -20.804 1.00 15.80 O ATOM 328 CB HIS A 861 -32.634 -1.047 -17.972 1.00 13.88 C ATOM 329 CG HIS A 861 -31.666 -1.909 -17.220 1.00 18.84 C ATOM 330 ND1 HIS A 861 -30.750 -1.398 -16.330 1.00 20.10 N ATOM 331 CD2 HIS A 861 -31.501 -3.253 -17.202 1.00 17.55 C ATOM 332 CE1 HIS A 861 -30.045 -2.388 -15.808 1.00 20.51 C ATOM 333 NE2 HIS A 861 -30.481 -3.523 -16.320 1.00 18.67 N ATOM 334 H HIS A 861 -34.030 0.361 -19.501 1.00 0.00 H ATOM 335 N ILE A 862 -29.719 -0.720 -19.634 1.00 15.46 N ATOM 336 CA ILE A 862 -28.692 -1.531 -20.281 1.00 18.34 C ATOM 337 C ILE A 862 -28.154 -2.546 -19.280 1.00 20.75 C ATOM 338 O ILE A 862 -27.769 -2.191 -18.159 1.00 22.50 O ATOM 339 CB ILE A 862 -27.551 -0.664 -20.835 1.00 15.36 C ATOM 340 CG1 ILE A 862 -28.067 0.220 -21.978 1.00 17.93 C ATOM 341 CG2 ILE A 862 -26.378 -1.532 -21.303 1.00 18.42 C ATOM 342 CD1 ILE A 862 -27.051 1.244 -22.473 1.00 18.87 C ATOM 343 H ILE A 862 -29.428 0.006 -18.948 1.00 0.00 H ATOM 344 N VAL A 863 -28.144 -3.809 -19.683 1.00 15.58 N ATOM 345 CA VAL A 863 -27.785 -4.899 -18.784 1.00 21.53 C ATOM 346 C VAL A 863 -26.272 -4.991 -18.599 1.00 22.82 C ATOM 347 O VAL A 863 -25.528 -5.065 -19.578 1.00 17.49 O ATOM 348 CB VAL A 863 -28.317 -6.244 -19.312 1.00 20.35 C ATOM 349 CG1 VAL A 863 -27.888 -7.395 -18.404 1.00 18.02 C ATOM 350 CG2 VAL A 863 -29.838 -6.193 -19.457 1.00 20.93 C ATOM 351 H VAL A 863 -28.399 -4.028 -20.667 1.00 0.00 H ATOM 352 N PRO A 864 -25.808 -4.979 -17.338 1.00 22.88 N ATOM 353 CA PRO A 864 -24.373 -5.130 -17.079 1.00 23.64 C ATOM 354 C PRO A 864 -23.807 -6.390 -17.717 1.00 18.49 C ATOM 355 O PRO A 864 -24.411 -7.456 -17.608 1.00 21.68 O ATOM 356 CB PRO A 864 -24.298 -5.211 -15.552 1.00 23.01 C ATOM 357 CG PRO A 864 -25.498 -4.460 -15.090 1.00 26.27 C ATOM 358 CD PRO A 864 -26.572 -4.759 -16.098 1.00 24.76 C ATOM 359 N LEU A 865 -22.673 -6.232 -18.398 1.00 22.52 N ATOM 360 CA LEU A 865 -21.929 -7.317 -19.046 1.00 25.70 C ATOM 361 C LEU A 865 -22.647 -7.944 -20.240 1.00 25.83 C ATOM 362 O LEU A 865 -22.182 -8.941 -20.785 1.00 26.93 O ATOM 363 CB LEU A 865 -21.581 -8.409 -18.030 1.00 28.36 C ATOM 364 CG LEU A 865 -20.788 -7.919 -16.818 1.00 44.09 C ATOM 365 CD1 LEU A 865 -20.467 -9.074 -15.886 1.00 34.80 C ATOM 366 CD2 LEU A 865 -19.519 -7.208 -17.261 1.00 34.33 C ATOM 367 H LEU A 865 -22.287 -5.269 -18.476 1.00 0.00 H ATOM 368 N GLY A 866 -23.770 -7.364 -20.656 1.00 22.86 N ATOM 369 CA GLY A 866 -24.418 -7.799 -21.882 1.00 20.32 C ATOM 370 C GLY A 866 -23.707 -7.244 -23.108 1.00 16.62 C ATOM 371 O GLY A 866 -22.735 -6.504 -22.979 1.00 22.98 O ATOM 372 H GLY A 866 -24.188 -6.592 -20.098 1.00 0.00 H ATOM 373 N ALA A 867 -24.194 -7.592 -24.297 1.00 18.56 N ATOM 374 CA ALA A 867 -23.561 -7.152 -25.546 1.00 23.26 C ATOM 375 C ALA A 867 -23.443 -5.630 -25.645 1.00 22.20 C ATOM 376 O ALA A 867 -22.372 -5.102 -25.955 1.00 18.70 O ATOM 377 CB ALA A 867 -24.328 -7.692 -26.743 1.00 18.82 C ATOM 378 H ALA A 867 -25.044 -8.190 -24.342 1.00 0.00 H ATOM 379 N ALA A 868 -24.541 -4.926 -25.378 1.00 17.87 N ATOM 380 CA ALA A 868 -24.549 -3.468 -25.467 1.00 15.95 C ATOM 381 C ALA A 868 -23.592 -2.829 -24.464 1.00 17.35 C ATOM 382 O ALA A 868 -22.858 -1.899 -24.798 1.00 18.67 O ATOM 383 CB ALA A 868 -25.970 -2.935 -25.263 1.00 19.15 C ATOM 384 H ALA A 868 -25.411 -5.424 -25.100 1.00 0.00 H ATOM 385 N ASP A 869 -23.601 -3.333 -23.233 1.00 18.42 N ATOM 386 CA ASP A 869 -22.712 -2.820 -22.197 1.00 20.68 C ATOM 387 C ASP A 869 -21.256 -3.053 -22.578 1.00 19.00 C ATOM 388 O ASP A 869 -20.440 -2.132 -22.527 1.00 20.98 O ATOM 389 CB ASP A 869 -23.009 -3.483 -20.852 1.00 20.11 C ATOM 390 CG ASP A 869 -22.187 -2.901 -19.718 1.00 26.32 C ATOM 391 OD1 ASP A 869 -21.988 -1.666 -19.686 1.00 24.45 O ATOM 392 OD2 ASP A 869 -21.734 -3.686 -18.859 1.00 24.63 O ATOM 393 H ASP A 869 -24.255 -4.109 -23.005 1.00 0.00 H ATOM 394 N THR A 870 -20.953 -4.289 -22.965 1.00 19.86 N ATOM 395 CA THR A 870 -19.593 -4.693 -23.320 1.00 20.82 C ATOM 396 C THR A 870 -19.050 -3.848 -24.462 1.00 25.56 C ATOM 397 O THR A 870 -17.912 -3.380 -24.420 1.00 25.46 O ATOM 398 CB THR A 870 -19.536 -6.181 -23.721 1.00 21.23 C ATOM 399 OG1 THR A 870 -20.108 -6.980 -22.679 1.00 44.00 O ATOM 400 CG2 THR A 870 -18.105 -6.617 -23.942 1.00 35.63 C ATOM 401 HG1 THR A 870 -21.051 -6.712 -22.539 1.00 0.00 H ATOM 402 H THR A 870 -21.714 -4.996 -23.017 1.00 0.00 H ATOM 403 N ASP A 871 -19.877 -3.651 -25.482 1.00 21.89 N ATOM 404 CA ASP A 871 -19.496 -2.822 -26.614 1.00 22.95 C ATOM 405 C ASP A 871 -19.217 -1.387 -26.174 1.00 20.76 C ATOM 406 O ASP A 871 -18.295 -0.744 -26.678 1.00 26.43 O ATOM 407 CB ASP A 871 -20.587 -2.852 -27.679 1.00 17.25 C ATOM 408 CG ASP A 871 -20.334 -1.870 -28.796 1.00 22.74 C ATOM 409 OD1 ASP A 871 -19.576 -2.213 -29.727 1.00 23.07 O ATOM 410 OD2 ASP A 871 -20.890 -0.750 -28.741 1.00 19.37 O ATOM 411 H ASP A 871 -20.816 -4.099 -25.471 1.00 0.00 H ATOM 412 N GLY A 872 -20.031 -0.886 -25.249 1.00 16.72 N ATOM 413 CA GLY A 872 -19.777 0.390 -24.603 1.00 25.06 C ATOM 414 C GLY A 872 -20.285 1.671 -25.252 1.00 21.87 C ATOM 415 O GLY A 872 -20.121 2.748 -24.686 1.00 29.08 O ATOM 416 H GLY A 872 -20.878 -1.426 -24.979 1.00 0.00 H ATOM 417 N ARG A 873 -20.912 1.579 -26.420 1.00 17.08 N ATOM 418 CA ARG A 873 -21.330 2.789 -27.125 1.00 18.42 C ATOM 419 C ARG A 873 -22.763 3.202 -26.816 1.00 20.01 C ATOM 420 O ARG A 873 -23.063 4.391 -26.727 1.00 18.77 O ATOM 421 CB ARG A 873 -21.170 2.613 -28.635 1.00 15.72 C ATOM 422 CG ARG A 873 -19.709 2.539 -29.064 1.00 23.91 C ATOM 423 CD ARG A 873 -19.576 2.272 -30.544 1.00 19.34 C ATOM 424 NE ARG A 873 -19.889 0.886 -30.870 1.00 18.92 N ATOM 425 CZ ARG A 873 -19.766 0.375 -32.089 1.00 19.98 C ATOM 426 NH1 ARG A 873 -19.349 1.142 -33.088 1.00 22.75 N ATOM 427 NH2 ARG A 873 -20.064 -0.893 -32.315 1.00 20.29 N ATOM 428 HE ARG A 873 -20.226 0.265 -30.107 1.00 0.00 H ATOM 429 HH12 ARG A 873 -19.252 0.744 -34.044 1.00 0.00 H ATOM 430 HH11 ARG A 873 -19.119 2.141 -32.915 1.00 0.00 H ATOM 431 HH22 ARG A 873 -19.966 -1.288 -33.272 1.00 0.00 H ATOM 432 HH21 ARG A 873 -20.397 -1.496 -31.536 1.00 0.00 H ATOM 433 H ARG A 873 -21.106 0.644 -26.833 1.00 0.00 H ATOM 434 N LEU A 874 -23.648 2.222 -26.679 1.00 17.26 N ATOM 435 CA LEU A 874 -25.051 2.515 -26.418 1.00 17.15 C ATOM 436 C LEU A 874 -25.195 3.150 -25.044 1.00 21.66 C ATOM 437 O LEU A 874 -24.492 2.769 -24.111 1.00 18.10 O ATOM 438 CB LEU A 874 -25.892 1.239 -26.507 1.00 16.57 C ATOM 439 CG LEU A 874 -27.395 1.450 -26.673 1.00 13.71 C ATOM 440 CD1 LEU A 874 -27.687 2.130 -28.008 1.00 15.39 C ATOM 441 CD2 LEU A 874 -28.135 0.129 -26.559 1.00 14.80 C ATOM 442 H LEU A 874 -23.336 1.233 -26.759 1.00 0.00 H ATOM 443 N ARG A 875 -26.100 4.120 -24.929 1.00 15.31 N ATOM 444 CA ARG A 875 -26.398 4.756 -23.650 1.00 17.59 C ATOM 445 C ARG A 875 -27.900 4.774 -23.402 1.00 15.09 C ATOM 446 O ARG A 875 -28.681 4.972 -24.331 1.00 14.03 O ATOM 447 CB ARG A 875 -25.865 6.188 -23.616 1.00 19.37 C ATOM 448 CG ARG A 875 -24.351 6.303 -23.586 1.00 25.39 C ATOM 449 CD ARG A 875 -23.811 6.054 -22.189 1.00 55.94 C ATOM 450 NE ARG A 875 -22.359 6.195 -22.136 1.00 58.98 N ATOM 451 CZ ARG A 875 -21.504 5.208 -22.385 1.00 59.90 C ATOM 452 NH1 ARG A 875 -21.954 4.001 -22.710 1.00 34.34 N ATOM 453 NH2 ARG A 875 -20.198 5.428 -22.312 1.00 65.74 N ATOM 454 HE ARG A 875 -21.969 7.127 -21.888 1.00 0.00 H ATOM 455 HH12 ARG A 875 -21.283 3.231 -22.904 1.00 0.00 H ATOM 456 HH11 ARG A 875 -22.977 3.826 -22.770 1.00 0.00 H ATOM 457 HH22 ARG A 875 -19.529 4.656 -22.507 1.00 0.00 H ATOM 458 HH21 ARG A 875 -19.843 6.373 -22.060 1.00 0.00 H ATOM 459 H ARG A 875 -26.611 4.435 -25.778 1.00 0.00 H ATOM 460 N SER A 876 -28.300 4.569 -22.153 1.00 16.35 N ATOM 461 CA SER A 876 -29.703 4.729 -21.789 1.00 14.07 C ATOM 462 C SER A 876 -30.177 6.115 -22.202 1.00 16.76 C ATOM 463 O SER A 876 -29.470 7.108 -22.004 1.00 18.11 O ATOM 464 CB SER A 876 -29.897 4.512 -20.287 1.00 16.26 C ATOM 465 OG SER A 876 -29.597 3.178 -19.930 1.00 19.59 O ATOM 466 HG SER A 876 -30.197 2.563 -20.422 1.00 0.00 H ATOM 467 H SER A 876 -27.607 4.292 -21.428 1.00 0.00 H ATOM 468 N GLY A 877 -31.358 6.182 -22.808 1.00 13.31 N ATOM 469 CA GLY A 877 -31.901 7.450 -23.258 1.00 14.42 C ATOM 470 C GLY A 877 -31.635 7.739 -24.725 1.00 17.78 C ATOM 471 O GLY A 877 -32.244 8.646 -25.297 1.00 17.68 O ATOM 472 H GLY A 877 -31.903 5.310 -22.962 1.00 0.00 H ATOM 473 N ASP A 878 -30.730 6.978 -25.345 1.00 13.82 N ATOM 474 CA ASP A 878 -30.462 7.163 -26.774 1.00 15.39 C ATOM 475 C ASP A 878 -31.741 6.914 -27.560 1.00 18.86 C ATOM 476 O ASP A 878 -32.467 5.972 -27.251 1.00 17.01 O ATOM 477 CB ASP A 878 -29.377 6.210 -27.286 1.00 15.54 C ATOM 478 CG ASP A 878 -27.979 6.610 -26.857 1.00 14.68 C ATOM 479 OD1 ASP A 878 -27.789 7.734 -26.344 1.00 18.81 O ATOM 480 OD2 ASP A 878 -27.062 5.793 -27.060 1.00 17.65 O ATOM 481 H ASP A 878 -30.213 6.250 -24.811 1.00 0.00 H ATOM 482 N GLU A 879 -32.014 7.735 -28.572 1.00 14.39 N ATOM 483 CA GLU A 879 -33.169 7.494 -29.439 1.00 14.00 C ATOM 484 C GLU A 879 -32.814 6.534 -30.561 1.00 20.34 C ATOM 485 O GLU A 879 -31.832 6.726 -31.265 1.00 17.99 O ATOM 486 CB GLU A 879 -33.710 8.796 -30.042 1.00 14.79 C ATOM 487 CG GLU A 879 -34.934 8.540 -30.923 1.00 15.82 C ATOM 488 CD GLU A 879 -35.504 9.789 -31.553 1.00 22.98 C ATOM 489 OE1 GLU A 879 -35.012 10.898 -31.257 1.00 25.07 O ATOM 490 OE2 GLU A 879 -36.457 9.649 -32.350 1.00 17.72 O ATOM 491 H GLU A 879 -31.400 8.556 -28.748 1.00 0.00 H ATOM 492 N LEU A 880 -33.636 5.511 -30.743 1.00 12.44 N ATOM 493 CA LEU A 880 -33.405 4.534 -31.786 1.00 14.24 C ATOM 494 C LEU A 880 -34.082 5.006 -33.065 1.00 16.17 C ATOM 495 O LEU A 880 -35.283 5.256 -33.067 1.00 16.10 O ATOM 496 CB LEU A 880 -33.937 3.170 -31.330 1.00 20.64 C ATOM 497 CG LEU A 880 -33.528 1.899 -32.066 1.00 22.23 C ATOM 498 CD1 LEU A 880 -32.027 1.875 -32.293 1.00 18.76 C ATOM 499 CD2 LEU A 880 -33.963 0.697 -31.252 1.00 26.78 C ATOM 500 H LEU A 880 -34.465 5.408 -30.123 1.00 0.00 H ATOM 501 N ILE A 881 -33.322 5.152 -34.152 1.00 13.46 N ATOM 502 CA ILE A 881 -33.926 5.654 -35.386 1.00 12.37 C ATOM 503 C ILE A 881 -33.875 4.656 -36.549 1.00 13.53 C ATOM 504 O ILE A 881 -34.666 4.761 -37.490 1.00 14.68 O ATOM 505 CB ILE A 881 -33.285 6.983 -35.822 1.00 19.59 C ATOM 506 CG1 ILE A 881 -31.808 6.816 -36.143 1.00 23.91 C ATOM 507 CG2 ILE A 881 -33.481 8.050 -34.736 1.00 18.09 C ATOM 508 CD1 ILE A 881 -31.274 7.918 -37.057 1.00 26.64 C ATOM 509 H ILE A 881 -32.311 4.911 -34.122 1.00 0.00 H ATOM 510 N CYS A 882 -32.964 3.688 -36.480 1.00 13.50 N ATOM 511 CA CYS A 882 -32.884 2.631 -37.497 1.00 14.07 C ATOM 512 C CYS A 882 -32.403 1.314 -36.907 1.00 14.38 C ATOM 513 O CYS A 882 -31.513 1.295 -36.058 1.00 16.79 O ATOM 514 CB CYS A 882 -31.933 3.020 -38.629 1.00 19.62 C ATOM 515 SG CYS A 882 -32.397 4.460 -39.572 1.00 26.81 S ATOM 516 H CYS A 882 -32.292 3.680 -35.686 1.00 0.00 H ATOM 517 N VAL A 883 -32.984 0.212 -37.372 1.00 13.70 N ATOM 518 CA VAL A 883 -32.500 -1.124 -37.033 1.00 12.73 C ATOM 519 C VAL A 883 -32.243 -1.896 -38.320 1.00 13.70 C ATOM 520 O VAL A 883 -33.150 -2.065 -39.130 1.00 14.98 O ATOM 521 CB VAL A 883 -33.497 -1.906 -36.162 1.00 15.49 C ATOM 522 CG1 VAL A 883 -32.965 -3.306 -35.875 1.00 14.97 C ATOM 523 CG2 VAL A 883 -33.754 -1.169 -34.860 1.00 15.29 C ATOM 524 H VAL A 883 -33.810 0.304 -37.997 1.00 0.00 H ATOM 525 N ASP A 884 -31.003 -2.334 -38.509 1.00 14.37 N ATOM 526 CA ASP A 884 -30.614 -3.120 -39.686 1.00 20.25 C ATOM 527 C ASP A 884 -31.101 -2.513 -41.006 1.00 20.54 C ATOM 528 O ASP A 884 -31.609 -3.219 -41.880 1.00 21.22 O ATOM 529 CB ASP A 884 -31.132 -4.554 -39.553 1.00 19.22 C ATOM 530 CG ASP A 884 -30.377 -5.354 -38.500 1.00 16.58 C ATOM 531 OD1 ASP A 884 -29.181 -5.071 -38.262 1.00 17.71 O ATOM 532 OD2 ASP A 884 -30.984 -6.274 -37.912 1.00 17.85 O ATOM 533 H ASP A 884 -30.280 -2.111 -37.795 1.00 0.00 H ATOM 534 N GLY A 885 -30.956 -1.198 -41.136 1.00 19.55 N ATOM 535 CA GLY A 885 -31.329 -0.504 -42.357 1.00 25.36 C ATOM 536 C GLY A 885 -32.800 -0.166 -42.516 1.00 26.52 C ATOM 537 O GLY A 885 -33.208 0.360 -43.547 1.00 24.16 O ATOM 538 H GLY A 885 -30.565 -0.651 -40.342 1.00 0.00 H ATOM 539 N THR A 886 -33.606 -0.476 -41.507 1.00 17.90 N ATOM 540 CA THR A 886 -35.024 -0.142 -41.551 1.00 17.46 C ATOM 541 C THR A 886 -35.260 1.016 -40.603 1.00 15.74 C ATOM 542 O THR A 886 -34.967 0.904 -39.410 1.00 15.34 O ATOM 543 CB THR A 886 -35.930 -1.326 -41.144 1.00 20.58 C ATOM 544 OG1 THR A 886 -35.841 -2.371 -42.118 1.00 25.29 O ATOM 545 CG2 THR A 886 -37.365 -0.877 -41.037 1.00 18.86 C ATOM 546 HG1 THR A 886 -34.904 -2.684 -42.179 1.00 0.00 H ATOM 547 H THR A 886 -33.220 -0.964 -40.674 1.00 0.00 H ATOM 548 N PRO A 887 -35.777 2.136 -41.124 1.00 16.46 N ATOM 549 CA PRO A 887 -36.005 3.285 -40.244 1.00 14.23 C ATOM 550 C PRO A 887 -37.186 3.043 -39.322 1.00 17.92 C ATOM 551 O PRO A 887 -38.170 2.424 -39.728 1.00 18.13 O ATOM 552 CB PRO A 887 -36.284 4.440 -41.220 1.00 18.85 C ATOM 553 CG PRO A 887 -36.734 3.786 -42.475 1.00 27.61 C ATOM 554 CD PRO A 887 -36.062 2.441 -42.536 1.00 24.07 C ATOM 555 N VAL A 888 -37.091 3.525 -38.088 1.00 17.24 N ATOM 556 CA VAL A 888 -38.201 3.387 -37.163 1.00 14.47 C ATOM 557 C VAL A 888 -38.646 4.731 -36.594 1.00 17.82 C ATOM 558 O VAL A 888 -39.473 4.775 -35.696 1.00 15.11 O ATOM 559 CB VAL A 888 -37.854 2.424 -36.013 1.00 18.01 C ATOM 560 CG1 VAL A 888 -37.647 1.017 -36.567 1.00 21.07 C ATOM 561 CG2 VAL A 888 -36.621 2.903 -35.247 1.00 17.42 C ATOM 562 H VAL A 888 -36.219 4.003 -37.784 1.00 0.00 H ATOM 563 N ILE A 889 -38.110 5.826 -37.127 1.00 18.20 N ATOM 564 CA ILE A 889 -38.603 7.156 -36.768 1.00 16.45 C ATOM 565 C ILE A 889 -40.079 7.287 -37.115 1.00 17.99 C ATOM 566 O ILE A 889 -40.489 7.020 -38.246 1.00 18.40 O ATOM 567 CB ILE A 889 -37.825 8.278 -37.484 1.00 22.34 C ATOM 568 CG1 ILE A 889 -36.380 8.312 -37.003 1.00 22.11 C ATOM 569 CG2 ILE A 889 -38.483 9.625 -37.235 1.00 25.76 C ATOM 570 CD1 ILE A 889 -35.507 9.291 -37.772 1.00 27.42 C ATOM 571 H ILE A 889 -37.330 5.735 -37.808 1.00 0.00 H ATOM 572 N GLY A 890 -40.875 7.687 -36.129 1.00 15.89 N ATOM 573 CA GLY A 890 -42.309 7.819 -36.298 1.00 18.00 C ATOM 574 C GLY A 890 -43.037 6.486 -36.318 1.00 14.22 C ATOM 575 O GLY A 890 -44.246 6.441 -36.539 1.00 20.51 O ATOM 576 H GLY A 890 -40.455 7.913 -35.205 1.00 0.00 H ATOM 577 N LYS A 891 -42.306 5.403 -36.084 1.00 13.21 N ATOM 578 CA LYS A 891 -42.885 4.057 -36.148 1.00 14.06 C ATOM 579 C LYS A 891 -43.085 3.458 -34.760 1.00 13.47 C ATOM 580 O LYS A 891 -42.802 4.101 -33.757 1.00 14.60 O ATOM 581 CB LYS A 891 -42.009 3.135 -36.996 1.00 17.13 C ATOM 582 CG LYS A 891 -41.823 3.622 -38.421 1.00 18.55 C ATOM 583 CD LYS A 891 -43.157 4.014 -39.034 1.00 24.51 C ATOM 584 CE LYS A 891 -43.266 3.565 -40.478 1.00 65.03 C ATOM 585 NZ LYS A 891 -42.136 4.069 -41.297 1.00 71.51 N ATOM 586 HZ1 LYS A 891 -42.131 5.109 -41.277 1.00 0.00 H ATOM 587 HZ2 LYS A 891 -41.241 3.709 -40.909 1.00 0.00 H ATOM 588 HZ3 LYS A 891 -42.247 3.741 -42.278 1.00 0.00 H ATOM 589 H LYS A 891 -41.299 5.512 -35.850 1.00 0.00 H ATOM 590 N SER A 892 -43.570 2.219 -34.707 1.00 14.79 N ATOM 591 CA SER A 892 -44.113 1.687 -33.454 1.00 10.82 C ATOM 592 C SER A 892 -43.163 0.820 -32.643 1.00 12.15 C ATOM 593 O SER A 892 -42.234 0.214 -33.169 1.00 12.79 O ATOM 594 CB SER A 892 -45.377 0.874 -33.744 1.00 13.62 C ATOM 595 OG SER A 892 -45.061 -0.341 -34.414 1.00 12.60 O ATOM 596 HG SER A 892 -44.611 -0.136 -35.272 1.00 0.00 H ATOM 597 H SER A 892 -43.563 1.625 -35.561 1.00 0.00 H ATOM 598 N HIS A 893 -43.426 0.771 -31.343 1.00 12.44 N ATOM 599 CA HIS A 893 -42.822 -0.196 -30.436 1.00 13.73 C ATOM 600 C HIS A 893 -42.895 -1.614 -31.005 1.00 12.74 C ATOM 601 O HIS A 893 -41.934 -2.378 -30.945 1.00 14.55 O ATOM 602 CB HIS A 893 -43.544 -0.129 -29.089 1.00 12.75 C ATOM 603 CG HIS A 893 -42.865 -0.878 -27.984 1.00 12.21 C ATOM 604 ND1 HIS A 893 -41.971 -0.281 -27.126 1.00 18.25 N ATOM 605 CD2 HIS A 893 -42.977 -2.166 -27.583 1.00 12.31 C ATOM 606 CE1 HIS A 893 -41.541 -1.177 -26.249 1.00 17.77 C ATOM 607 NE2 HIS A 893 -42.143 -2.324 -26.500 1.00 18.94 N ATOM 608 H HIS A 893 -44.099 1.460 -30.951 1.00 0.00 H ATOM 609 N GLN A 894 -44.048 -1.964 -31.564 1.00 12.00 N ATOM 610 CA GLN A 894 -44.240 -3.302 -32.109 1.00 11.49 C ATOM 611 C GLN A 894 -43.278 -3.572 -33.258 1.00 13.76 C ATOM 612 O GLN A 894 -42.660 -4.643 -33.332 1.00 14.69 O ATOM 613 CB GLN A 894 -45.681 -3.476 -32.581 1.00 12.71 C ATOM 614 CG GLN A 894 -45.999 -4.881 -33.037 1.00 14.37 C ATOM 615 CD GLN A 894 -47.419 -4.988 -33.512 1.00 15.24 C ATOM 616 OE1 GLN A 894 -47.808 -4.326 -34.472 1.00 15.06 O ATOM 617 NE2 GLN A 894 -48.210 -5.816 -32.842 1.00 15.41 N ATOM 618 HE22 GLN A 894 -47.835 -6.355 -32.036 1.00 0.00 H ATOM 619 HE21 GLN A 894 -49.205 -5.926 -33.123 1.00 0.00 H ATOM 620 H GLN A 894 -44.824 -1.274 -31.613 1.00 0.00 H ATOM 621 N LEU A 895 -43.153 -2.600 -34.157 1.00 9.86 N ATOM 622 CA LEU A 895 -42.253 -2.756 -35.298 1.00 13.79 C ATOM 623 C LEU A 895 -40.813 -2.925 -34.843 1.00 14.88 C ATOM 624 O LEU A 895 -40.116 -3.812 -35.320 1.00 13.82 O ATOM 625 CB LEU A 895 -42.335 -1.562 -36.245 1.00 12.75 C ATOM 626 CG LEU A 895 -41.304 -1.622 -37.381 1.00 11.75 C ATOM 627 CD1 LEU A 895 -41.606 -2.786 -38.312 1.00 19.31 C ATOM 628 CD2 LEU A 895 -41.259 -0.313 -38.156 1.00 18.30 C ATOM 629 H LEU A 895 -43.700 -1.722 -34.047 1.00 0.00 H ATOM 630 N VAL A 896 -40.364 -2.071 -33.927 1.00 12.54 N ATOM 631 CA VAL A 896 -38.959 -2.127 -33.515 1.00 15.20 C ATOM 632 C VAL A 896 -38.658 -3.455 -32.814 1.00 12.71 C ATOM 633 O VAL A 896 -37.586 -4.029 -33.016 1.00 13.13 O ATOM 634 CB VAL A 896 -38.559 -0.924 -32.612 1.00 19.60 C ATOM 635 CG1 VAL A 896 -39.221 -0.987 -31.265 1.00 22.95 C ATOM 636 CG2 VAL A 896 -37.051 -0.892 -32.417 1.00 24.99 C ATOM 637 H VAL A 896 -41.006 -1.369 -33.506 1.00 0.00 H ATOM 638 N VAL A 897 -39.609 -3.984 -32.044 1.00 12.56 N ATOM 639 CA VAL A 897 -39.382 -5.269 -31.384 1.00 12.07 C ATOM 640 C VAL A 897 -39.334 -6.384 -32.429 1.00 11.67 C ATOM 641 O VAL A 897 -38.500 -7.292 -32.346 1.00 14.09 O ATOM 642 CB VAL A 897 -40.458 -5.570 -30.322 1.00 16.70 C ATOM 643 CG1 VAL A 897 -40.312 -6.993 -29.795 1.00 15.16 C ATOM 644 CG2 VAL A 897 -40.353 -4.567 -29.167 1.00 13.63 C ATOM 645 H VAL A 897 -40.511 -3.483 -31.913 1.00 0.00 H ATOM 646 N GLN A 898 -40.210 -6.304 -33.424 1.00 13.71 N ATOM 647 CA GLN A 898 -40.181 -7.252 -34.535 1.00 13.60 C ATOM 648 C GLN A 898 -38.812 -7.238 -35.223 1.00 15.93 C ATOM 649 O GLN A 898 -38.226 -8.292 -35.494 1.00 14.33 O ATOM 650 CB GLN A 898 -41.274 -6.923 -35.546 1.00 12.92 C ATOM 651 CG GLN A 898 -41.231 -7.789 -36.786 1.00 20.06 C ATOM 652 CD GLN A 898 -42.358 -7.481 -37.741 1.00 41.83 C ATOM 653 OE1 GLN A 898 -43.502 -7.880 -37.519 1.00 69.34 O ATOM 654 NE2 GLN A 898 -42.044 -6.762 -38.812 1.00 62.01 N ATOM 655 HE22 GLN A 898 -41.064 -6.447 -38.958 1.00 0.00 H ATOM 656 HE21 GLN A 898 -42.778 -6.514 -39.505 1.00 0.00 H ATOM 657 H GLN A 898 -40.929 -5.553 -33.412 1.00 0.00 H ATOM 658 N LEU A 899 -38.300 -6.044 -35.505 1.00 12.60 N ATOM 659 CA LEU A 899 -36.992 -5.941 -36.155 1.00 13.26 C ATOM 660 C LEU A 899 -35.889 -6.505 -35.273 1.00 16.74 C ATOM 661 O LEU A 899 -34.933 -7.110 -35.772 1.00 15.24 O ATOM 662 CB LEU A 899 -36.674 -4.494 -36.516 1.00 13.82 C ATOM 663 CG LEU A 899 -37.592 -3.884 -37.568 1.00 14.33 C ATOM 664 CD1 LEU A 899 -37.339 -2.390 -37.687 1.00 15.68 C ATOM 665 CD2 LEU A 899 -37.400 -4.575 -38.919 1.00 22.59 C ATOM 666 H LEU A 899 -38.829 -5.182 -35.264 1.00 0.00 H ATOM 667 N MET A 900 -36.002 -6.306 -33.963 1.00 12.75 N ATOM 668 CA MET A 900 -35.002 -6.864 -33.057 1.00 12.37 C ATOM 669 C MET A 900 -35.103 -8.391 -32.987 1.00 17.05 C ATOM 670 O MET A 900 -34.099 -9.079 -32.802 1.00 17.57 O ATOM 671 CB MET A 900 -35.140 -6.279 -31.648 1.00 13.68 C ATOM 672 CG MET A 900 -34.801 -4.807 -31.531 1.00 13.84 C ATOM 673 SD MET A 900 -33.133 -4.428 -32.110 1.00 17.32 S ATOM 674 CE MET A 900 -32.166 -5.573 -31.127 1.00 18.23 C ATOM 675 H MET A 900 -36.799 -5.755 -33.585 1.00 0.00 H ATOM 676 N GLN A 901 -36.316 -8.922 -33.107 1.00 14.12 N ATOM 677 CA GLN A 901 -36.483 -10.374 -33.105 1.00 14.48 C ATOM 678 C GLN A 901 -35.863 -10.984 -34.360 1.00 20.47 C ATOM 679 O GLN A 901 -35.267 -12.060 -34.310 1.00 18.53 O ATOM 680 CB GLN A 901 -37.960 -10.749 -32.983 1.00 16.41 C ATOM 681 CG GLN A 901 -38.517 -10.428 -31.603 1.00 20.10 C ATOM 682 CD GLN A 901 -40.005 -10.667 -31.490 1.00 21.11 C ATOM 683 OE1 GLN A 901 -40.689 -10.909 -32.487 1.00 21.40 O ATOM 684 NE2 GLN A 901 -40.517 -10.603 -30.261 1.00 22.28 N ATOM 685 HE22 GLN A 901 -39.899 -10.396 -29.450 1.00 0.00 H ATOM 686 HE21 GLN A 901 -41.534 -10.760 -30.113 1.00 0.00 H ATOM 687 H GLN A 901 -37.147 -8.304 -33.202 1.00 0.00 H ATOM 688 N GLN A 902 -35.987 -10.285 -35.483 1.00 18.25 N ATOM 689 CA GLN A 902 -35.347 -10.734 -36.719 1.00 17.57 C ATOM 690 C GLN A 902 -33.823 -10.676 -36.591 1.00 20.12 C ATOM 691 O GLN A 902 -33.117 -11.583 -37.050 1.00 19.98 O ATOM 692 CB GLN A 902 -35.837 -9.892 -37.901 1.00 16.48 C ATOM 693 CG GLN A 902 -37.326 -10.093 -38.178 1.00 22.36 C ATOM 694 CD GLN A 902 -37.896 -9.130 -39.207 1.00 43.22 C ATOM 695 OE1 GLN A 902 -37.243 -8.167 -39.614 1.00 38.29 O ATOM 696 NE2 GLN A 902 -39.125 -9.389 -39.633 1.00 41.76 N ATOM 697 HE22 GLN A 902 -39.641 -10.213 -39.263 1.00 0.00 H ATOM 698 HE21 GLN A 902 -39.573 -8.768 -40.337 1.00 0.00 H ATOM 699 H GLN A 902 -36.546 -9.408 -35.483 1.00 0.00 H ATOM 700 N ALA A 903 -33.321 -9.623 -35.949 1.00 15.82 N ATOM 701 CA ALA A 903 -31.881 -9.471 -35.719 1.00 18.13 C ATOM 702 C ALA A 903 -31.358 -10.579 -34.804 1.00 21.58 C ATOM 703 O ALA A 903 -30.263 -11.116 -35.012 1.00 19.13 O ATOM 704 CB ALA A 903 -31.576 -8.096 -35.117 1.00 17.41 C ATOM 705 H ALA A 903 -33.969 -8.888 -35.601 1.00 0.00 H ATOM 706 N ALA A 904 -32.152 -10.928 -33.797 1.00 20.31 N ATOM 707 CA ALA A 904 -31.781 -11.992 -32.870 1.00 20.98 C ATOM 708 C ALA A 904 -31.601 -13.313 -33.612 1.00 19.44 C ATOM 709 O ALA A 904 -30.659 -14.067 -33.346 1.00 24.79 O ATOM 710 CB ALA A 904 -32.829 -12.134 -31.777 1.00 25.03 C ATOM 711 H ALA A 904 -33.057 -10.432 -33.667 1.00 0.00 H ATOM 712 N LYS A 905 -32.506 -13.580 -34.548 1.00 19.96 N ATOM 713 CA LYS A 905 -32.446 -14.799 -35.348 1.00 21.07 C ATOM 714 C LYS A 905 -31.150 -14.855 -36.139 1.00 20.14 C ATOM 715 O LYS A 905 -30.541 -15.915 -36.285 1.00 19.83 O ATOM 716 CB LYS A 905 -33.646 -14.883 -36.296 1.00 22.05 C ATOM 717 H LYS A 905 -33.277 -12.902 -34.715 1.00 0.00 H ATOM 718 N GLN A 906 -30.721 -13.705 -36.642 1.00 17.66 N ATOM 719 CA GLN A 906 -29.531 -13.662 -37.481 1.00 16.09 C ATOM 720 C GLN A 906 -28.247 -13.567 -36.656 1.00 18.81 C ATOM 721 O GLN A 906 -27.156 -13.841 -37.166 1.00 21.46 O ATOM 722 CB GLN A 906 -29.624 -12.503 -38.479 1.00 16.31 C ATOM 723 CG GLN A 906 -30.859 -12.572 -39.385 1.00 25.81 C ATOM 724 CD GLN A 906 -31.006 -13.908 -40.113 1.00 38.89 C ATOM 725 OE1 GLN A 906 -30.027 -14.627 -40.338 1.00 32.45 O ATOM 726 NE2 GLN A 906 -32.241 -14.248 -40.477 1.00 36.17 N ATOM 727 HE22 GLN A 906 -33.038 -13.613 -40.268 1.00 0.00 H ATOM 728 HE21 GLN A 906 -32.409 -15.148 -40.970 1.00 0.00 H ATOM 729 H GLN A 906 -31.239 -12.827 -36.436 1.00 0.00 H ATOM 730 N GLY A 907 -28.376 -13.200 -35.382 1.00 14.78 N ATOM 731 CA GLY A 907 -27.257 -13.227 -34.454 1.00 17.06 C ATOM 732 C GLY A 907 -26.464 -11.937 -34.306 1.00 17.31 C ATOM 733 O GLY A 907 -25.404 -11.916 -33.688 1.00 15.72 O ATOM 734 H GLY A 907 -29.306 -12.884 -35.040 1.00 0.00 H ATOM 735 N HIS A 908 -26.971 -10.849 -34.869 1.00 16.63 N ATOM 736 CA HIS A 908 -26.278 -9.568 -34.788 1.00 16.22 C ATOM 737 C HIS A 908 -27.256 -8.463 -35.142 1.00 13.59 C ATOM 738 O HIS A 908 -28.291 -8.730 -35.750 1.00 14.82 O ATOM 739 CB HIS A 908 -25.090 -9.534 -35.748 1.00 16.82 C ATOM 740 CG HIS A 908 -25.457 -9.943 -37.138 1.00 15.76 C ATOM 741 ND1 HIS A 908 -26.084 -9.089 -38.018 1.00 15.48 N ATOM 742 CD2 HIS A 908 -25.331 -11.129 -37.781 1.00 13.89 C ATOM 743 CE1 HIS A 908 -26.321 -9.729 -39.152 1.00 17.56 C ATOM 744 NE2 HIS A 908 -25.872 -10.965 -39.035 1.00 17.24 N ATOM 745 H HIS A 908 -27.877 -10.910 -35.376 1.00 0.00 H ATOM 746 N VAL A 909 -26.918 -7.227 -34.789 1.00 16.22 N ATOM 747 CA VAL A 909 -27.782 -6.105 -35.124 1.00 12.39 C ATOM 748 C VAL A 909 -26.969 -4.851 -35.397 1.00 11.79 C ATOM 749 O VAL A 909 -25.887 -4.665 -34.842 1.00 15.85 O ATOM 750 CB VAL A 909 -28.825 -5.829 -33.993 1.00 12.09 C ATOM 751 CG1 VAL A 909 -28.154 -5.258 -32.744 1.00 13.02 C ATOM 752 CG2 VAL A 909 -29.938 -4.900 -34.492 1.00 11.34 C ATOM 753 H VAL A 909 -26.032 -7.061 -34.271 1.00 0.00 H ATOM 754 N ASN A 910 -27.475 -4.021 -36.301 1.00 15.50 N ATOM 755 CA ASN A 910 -26.970 -2.670 -36.477 1.00 16.92 C ATOM 756 C ASN A 910 -27.992 -1.681 -35.973 1.00 16.62 C ATOM 757 O ASN A 910 -29.126 -1.674 -36.443 1.00 18.72 O ATOM 758 CB ASN A 910 -26.663 -2.371 -37.941 1.00 17.68 C ATOM 759 CG ASN A 910 -25.323 -2.911 -38.375 1.00 22.86 C ATOM 760 OD1 ASN A 910 -24.320 -2.197 -38.364 1.00 25.89 O ATOM 761 ND2 ASN A 910 -25.297 -4.175 -38.752 1.00 17.98 N ATOM 762 HD22 ASN A 910 -26.171 -4.738 -38.744 1.00 0.00 H ATOM 763 HD21 ASN A 910 -24.402 -4.608 -39.057 1.00 0.00 H ATOM 764 H ASN A 910 -28.258 -4.348 -36.902 1.00 0.00 H ATOM 765 N LEU A 911 -27.586 -0.848 -35.025 1.00 16.57 N ATOM 766 CA LEU A 911 -28.464 0.172 -34.464 1.00 17.40 C ATOM 767 C LEU A 911 -27.979 1.543 -34.889 1.00 24.06 C ATOM 768 O LEU A 911 -26.794 1.840 -34.765 1.00 25.15 O ATOM 769 CB LEU A 911 -28.480 0.088 -32.940 1.00 14.05 C ATOM 770 CG LEU A 911 -28.801 -1.273 -32.314 1.00 19.18 C ATOM 771 CD1 LEU A 911 -28.498 -1.238 -30.820 1.00 22.60 C ATOM 772 CD2 LEU A 911 -30.253 -1.669 -32.573 1.00 21.39 C ATOM 773 H LEU A 911 -26.611 -0.924 -34.671 1.00 0.00 H ATOM 774 N THR A 912 -28.879 2.380 -35.391 1.00 14.26 N ATOM 775 CA THR A 912 -28.546 3.791 -35.534 1.00 11.20 C ATOM 776 C THR A 912 -29.302 4.554 -34.468 1.00 12.77 C ATOM 777 O THR A 912 -30.530 4.467 -34.384 1.00 13.12 O ATOM 778 CB THR A 912 -28.894 4.346 -36.911 1.00 18.04 C ATOM 779 OG1 THR A 912 -28.251 3.550 -37.913 1.00 22.43 O ATOM 780 CG2 THR A 912 -28.403 5.775 -37.027 1.00 19.68 C ATOM 781 HG1 THR A 912 -28.474 3.906 -38.809 1.00 0.00 H ATOM 782 H THR A 912 -29.815 2.031 -35.680 1.00 0.00 H ATOM 783 N VAL A 913 -28.563 5.267 -33.631 1.00 13.45 N ATOM 784 CA VAL A 913 -29.178 5.993 -32.535 1.00 14.55 C ATOM 785 C VAL A 913 -28.817 7.464 -32.580 1.00 16.88 C ATOM 786 O VAL A 913 -27.854 7.869 -33.232 1.00 14.02 O ATOM 787 CB VAL A 913 -28.779 5.423 -31.150 1.00 17.33 C ATOM 788 CG1 VAL A 913 -29.224 3.959 -31.011 1.00 15.91 C ATOM 789 CG2 VAL A 913 -27.281 5.574 -30.906 1.00 17.07 C ATOM 790 H VAL A 913 -27.532 5.307 -33.761 1.00 0.00 H ATOM 791 N ARG A 914 -29.620 8.261 -31.889 1.00 13.76 N ATOM 792 CA ARG A 914 -29.342 9.677 -31.724 1.00 16.45 C ATOM 793 C ARG A 914 -29.396 10.031 -30.254 1.00 19.30 C ATOM 794 O ARG A 914 -30.285 9.582 -29.533 1.00 19.56 O ATOM 795 CB ARG A 914 -30.338 10.525 -32.506 1.00 18.36 C ATOM 796 CG ARG A 914 -30.208 10.370 -34.000 1.00 19.84 C ATOM 797 CD ARG A 914 -31.250 11.193 -34.730 1.00 25.23 C ATOM 798 NE ARG A 914 -30.995 11.172 -36.163 1.00 20.79 N ATOM 799 CZ ARG A 914 -31.840 11.619 -37.085 1.00 27.09 C ATOM 800 NH1 ARG A 914 -33.007 12.135 -36.723 1.00 28.63 N ATOM 801 NH2 ARG A 914 -31.512 11.553 -38.370 1.00 28.61 N ATOM 802 HE ARG A 914 -30.088 10.780 -36.487 1.00 0.00 H ATOM 803 HH12 ARG A 914 -33.668 12.485 -37.446 1.00 0.00 H ATOM 804 HH11 ARG A 914 -33.261 12.190 -35.716 1.00 0.00 H ATOM 805 HH22 ARG A 914 -32.172 11.902 -39.094 1.00 0.00 H ATOM 806 HH21 ARG A 914 -30.595 11.152 -38.653 1.00 0.00 H ATOM 807 H ARG A 914 -30.474 7.860 -31.452 1.00 0.00 H ATOM 808 N ARG A 915 -28.441 10.826 -29.795 1.00 21.69 N ATOM 809 CA ARG A 915 -28.500 11.272 -28.413 1.00 25.75 C ATOM 810 C ARG A 915 -28.353 12.779 -28.330 1.00 27.27 C ATOM 811 O ARG A 915 -27.554 13.380 -29.047 1.00 23.71 O ATOM 812 CB ARG A 915 -27.450 10.564 -27.556 1.00 27.73 C ATOM 813 CG ARG A 915 -26.010 10.862 -27.863 1.00 35.94 C ATOM 814 CD ARG A 915 -25.124 10.374 -26.718 1.00 65.52 C ATOM 815 NE ARG A 915 -25.188 8.925 -26.512 1.00 30.14 N ATOM 816 CZ ARG A 915 -24.587 8.029 -27.291 1.00 77.81 C ATOM 817 NH1 ARG A 915 -24.693 6.734 -27.021 1.00 31.96 N ATOM 818 NH2 ARG A 915 -23.878 8.428 -28.342 1.00 54.52 N ATOM 819 HE ARG A 915 -25.740 8.573 -25.703 1.00 0.00 H ATOM 820 HH12 ARG A 915 -24.223 6.035 -27.631 1.00 0.00 H ATOM 821 HH11 ARG A 915 -25.247 6.418 -26.199 1.00 0.00 H ATOM 822 HH22 ARG A 915 -23.409 7.726 -28.950 1.00 0.00 H ATOM 823 HH21 ARG A 915 -23.792 9.442 -28.557 1.00 0.00 H ATOM 824 H ARG A 915 -27.661 11.126 -30.414 1.00 0.00 H ATOM 825 N LYS A 916 -29.165 13.384 -27.468 1.00 25.97 N ATOM 826 CA LYS A 916 -29.188 14.827 -27.313 1.00 35.05 C ATOM 827 C LYS A 916 -27.845 15.313 -26.804 1.00 40.53 C ATOM 828 O LYS A 916 -27.274 14.730 -25.880 1.00 33.44 O ATOM 829 CB LYS A 916 -30.307 15.250 -26.358 1.00 40.71 C ATOM 830 H LYS A 916 -29.804 12.805 -26.886 1.00 0.00 H ATOM 831 N VAL A 917 -27.339 16.376 -27.418 1.00 36.28 N ATOM 832 CA VAL A 917 -26.062 16.948 -27.021 1.00 38.16 C ATOM 833 C VAL A 917 -26.102 18.467 -27.125 1.00 49.33 C ATOM 834 O VAL A 917 -25.925 19.168 -26.131 1.00 68.46 O ATOM 835 CB VAL A 917 -24.909 16.410 -27.883 1.00 41.79 C ATOM 836 CG1 VAL A 917 -25.014 16.949 -29.294 1.00 35.67 C ATOM 837 CG2 VAL A 917 -23.576 16.785 -27.268 1.00 82.34 C ATOM 838 H VAL A 917 -27.868 16.810 -28.201 1.00 0.00 H TER 839 VAL A 917 HETATM 840 O HOH 1 -45.063 -7.475 -35.766 1.00 31.98 O HETATM 841 O HOH 2 -41.950 6.149 -23.289 1.00 32.82 O HETATM 842 O HOH 3 -34.477 -4.389 -41.828 1.00 32.45 O HETATM 843 O HOH 4 -45.255 5.462 -23.643 1.00 30.07 O HETATM 844 O HOH 5 -37.575 11.718 -33.390 1.00 37.16 O HETATM 845 O HOH 6 -27.328 -10.047 -21.756 1.00 34.10 O HETATM 846 O HOH 7 -30.239 1.041 -15.530 1.00 29.76 O HETATM 847 O HOH 8 -46.821 -3.004 -36.511 1.00 26.94 O HETATM 848 O HOH 9 -29.300 -16.292 -33.023 1.00 39.44 O HETATM 849 O HOH 10 -25.047 7.806 -38.904 1.00 19.05 O HETATM 850 O HOH 11 -46.865 0.000 -28.141 1.00 14.47 O HETATM 851 O HOH 12 -25.766 -4.942 -22.222 1.00 17.79 O HETATM 852 O HOH 13 -30.704 -9.348 -23.189 1.00 36.87 O HETATM 853 O HOH 14 -30.265 -17.254 -40.765 1.00 42.34 O HETATM 854 O HOH 15 -28.453 8.938 -24.049 1.00 20.48 O HETATM 855 O HOH 16 -33.588 -6.843 -38.165 1.00 19.49 O HETATM 856 O HOH 17 -42.358 6.666 -33.128 1.00 15.99 O HETATM 857 O HOH 18 -23.100 -0.516 -27.228 1.00 16.80 O HETATM 858 O HOH 19 -36.117 -14.145 -32.819 1.00 33.42 O HETATM 859 O HOH 20 -26.894 -6.530 -38.323 1.00 18.48 O HETATM 860 O HOH 21 -22.827 0.721 -23.464 1.00 23.89 O HETATM 861 O HOH 22 -37.476 7.130 -32.520 1.00 15.70 O HETATM 862 O HOH 23 -44.839 -0.846 -24.835 1.00 26.64 O HETATM 863 O HOH 24 -39.942 1.984 -41.763 1.00 27.77 O HETATM 864 O HOH 25 -26.304 -9.332 -24.198 1.00 21.04 O HETATM 865 O HOH 26 -26.027 -12.760 -41.112 1.00 15.91 O HETATM 866 O HOH 27 -25.598 -0.707 -17.349 1.00 44.62 O HETATM 867 O HOH 28 -21.174 6.382 -26.929 1.00 33.98 O HETATM 868 O HOH 29 -39.128 6.148 -40.474 1.00 25.21 O HETATM 869 O HOH 30 -23.226 0.553 -20.747 1.00 41.51 O HETATM 870 O HOH 31 -28.808 1.456 -17.879 1.00 22.30 O HETATM 871 O HOH 32 -29.574 -8.654 -38.291 1.00 18.08 O HETATM 872 O HOH 33 -34.677 0.950 -45.854 1.00 38.86 O HETATM 873 O HOH 34 -33.086 12.242 -29.735 1.00 31.73 O HETATM 874 O HOH 35 -31.089 -3.555 -44.610 1.00 28.88 O HETATM 875 O HOH 36 -27.269 -14.749 -39.870 1.00 18.71 O HETATM 876 O HOH 37 -27.866 7.988 -19.848 1.00 37.79 O HETATM 877 O HOH 38 -29.928 -6.231 -15.710 1.00 32.08 O HETATM 878 O HOH 39 -24.830 -13.560 -21.491 1.00 39.81 O HETATM 879 O HOH 40 -20.517 -6.611 -27.518 1.00 32.16 O HETATM 880 O HOH 41 -46.174 8.243 -35.296 1.00 22.08 O HETATM 881 O HOH 42 -16.000 -9.439 -34.002 1.00 30.29 O HETATM 882 O HOH 43 -23.638 13.127 -35.344 1.00 25.46 O HETATM 883 O HOH 44 -39.918 7.894 -33.422 1.00 17.08 O HETATM 884 O HOH 45 -21.595 -9.361 -27.844 1.00 31.62 O HETATM 885 O HOH 46 -20.625 -6.974 -30.133 1.00 24.17 O HETATM 886 O HOH 47 -33.182 -6.309 -17.795 1.00 24.35 O HETATM 887 O HOH 48 -24.020 -14.072 -32.309 1.00 36.36 O HETATM 888 O HOH 49 -27.598 16.695 -35.514 1.00 37.96 O HETATM 889 O HOH 50 -23.243 -15.875 -25.127 1.00 37.51 O HETATM 890 O HOH 51 -26.191 4.272 -20.077 1.00 22.10 O HETATM 891 O HOH 52 -31.717 -18.610 -35.713 1.00 46.03 O HETATM 892 O HOH 53 -20.918 5.829 -35.479 1.00 30.57 O HETATM 893 O HOH 54 -34.222 12.529 -34.010 1.00 31.73 O HETATM 894 O HOH 55 -19.384 -4.985 -31.148 1.00 40.98 O HETATM 895 O HOH 56 -32.062 10.994 -27.184 1.00 28.13 O HETATM 896 O HOH 57 -45.080 0.870 -37.200 1.00 16.75 O HETATM 897 O HOH 58 -46.319 11.339 -28.402 1.00 36.81 O HETATM 898 O HOH 59 -18.488 -2.617 -34.308 1.00 24.98 O HETATM 899 O HOH 60 -34.251 13.010 -39.446 1.00 38.83 O HETATM 900 O HOH 61 -43.459 -10.906 -29.235 1.00 36.20 O HETATM 901 O HOH 62 -34.690 -12.054 -26.824 1.00 41.99 O HETATM 902 O HOH 63 -19.562 4.244 -33.777 1.00 38.69 O HETATM 903 O HOH 64 -40.587 10.588 -33.396 1.00 36.08 O HETATM 904 O HOH 65 -42.413 1.128 -23.344 1.00 17.24 O HETATM 905 O HOH 66 -30.015 11.304 -24.933 1.00 48.26 O HETATM 906 O HOH 67 -16.696 -0.384 -29.937 1.00 47.72 O HETATM 907 O HOH 68 -16.172 1.452 -28.616 1.00 44.88 O HETATM 908 O HOH 69 -17.964 -6.084 -27.608 1.00 37.13 O HETATM 909 O HOH 70 -42.163 11.230 -35.446 1.00 41.88 O HETATM 910 O HOH 71 -35.636 -10.276 -29.427 1.00 24.78 O HETATM 911 O HOH 72 -16.028 -10.048 -30.994 1.00 43.32 O HETATM 912 O HOH 73 -26.410 10.434 -22.996 1.00 42.87 O HETATM 913 O HOH 74 -41.803 14.120 -29.014 1.00 38.23 O HETATM 914 O HOH 75 -24.453 2.023 -19.537 1.00 45.76 O HETATM 915 O HOH 76 -39.031 0.872 -44.241 1.00 38.63 O HETATM 916 O HOH 77 -45.035 -0.272 -39.664 1.00 30.76 O HETATM 917 O HOH 78 -33.772 -5.685 -15.460 1.00 36.56 O HETATM 918 O HOH 79 -32.608 -10.551 -28.754 1.00 29.24 O HETATM 919 O HOH 80 -35.702 0.289 -18.999 1.00 18.00 O HETATM 920 O HOH 81 -38.269 -9.597 -23.786 1.00 22.42 O HETATM 921 O HOH 82 -38.952 5.905 -18.327 1.00 31.44 O HETATM 922 O HOH 83 -40.228 6.332 -12.034 1.00 28.36 O HETATM 923 O HOH 84 -36.959 3.650 -11.131 1.00 29.03 O HETATM 924 O HOH 85 -37.647 7.387 -14.579 1.00 32.72 O HETATM 925 O HOH 86 -43.062 -0.563 -19.866 1.00 33.44 O HETATM 926 O HOH 87 -41.400 -6.714 -20.597 1.00 40.10 O HETATM 927 O HOH 88 -43.868 -0.903 -9.817 1.00 39.14 O HETATM 928 N LEU A 89 -43.554 0.489 -13.475 1.00 0.24 N HETATM 929 CA LEU A 89 -42.378 -0.342 -13.257 1.00 0.07 C HETATM 930 C LEU A 89 -41.171 0.511 -12.867 1.00 0.23 C HETATM 931 O LEU A 89 -41.034 1.641 -13.339 1.00 -0.39 O HETATM 932 N LEU A 89 -40.284 -0.028 -12.010 1.00 -0.25 N HETATM 933 CA LEU A 89 -38.994 0.617 -11.736 1.00 0.13 C HETATM 934 C LEU A 89 -38.147 0.638 -13.003 1.00 0.20 C HETATM 935 O LEU A 89 -38.326 -0.275 -13.788 1.00 -0.39 O HETATM 936 N LEU A 89 -37.246 1.603 -13.185 1.00 -0.26 N HETATM 937 CA LEU A 89 -36.566 1.784 -14.479 1.00 0.14 C HETATM 938 C LEU A 89 -35.857 0.544 -15.037 1.00 0.21 C HETATM 939 O LEU A 89 -35.730 0.400 -16.257 1.00 -0.39 O HETATM 940 N LEU A 89 -35.455 -0.357 -14.188 1.00 -0.26 N HETATM 941 CA LEU A 89 -34.724 -1.539 -14.691 1.00 0.13 C HETATM 942 C LEU A 89 -35.674 -2.558 -15.312 1.00 0.20 C HETATM 943 O LEU A 89 -35.160 -3.441 -15.937 1.00 -0.39 O HETATM 944 N LEU A 89 -36.970 -2.432 -15.144 1.00 -0.26 N HETATM 945 CA LEU A 89 -37.907 -3.442 -15.698 1.00 0.13 C HETATM 946 C LEU A 89 -38.769 -2.836 -16.803 1.00 0.20 C HETATM 947 O LEU A 89 -39.543 -3.554 -17.376 1.00 -0.39 O HETATM 948 N LEU A 89 -38.652 -1.557 -17.021 1.00 -0.26 N HETATM 949 CA LEU A 89 -39.502 -0.842 -17.984 1.00 0.13 C HETATM 950 C LEU A 89 -39.085 -1.197 -19.416 1.00 0.20 C HETATM 951 O LEU A 89 -37.933 -1.304 -19.632 1.00 -0.39 O HETATM 952 N LEU A 89 -40.004 -1.370 -20.334 1.00 -0.27 N HETATM 953 CA LEU A 89 -39.608 -1.648 -21.723 1.00 0.12 C HETATM 954 C LEU A 89 -39.425 -3.122 -22.017 1.00 0.20 C HETATM 955 O LEU A 89 -39.507 -3.909 -21.092 1.00 -0.39 O HETATM 956 N LEU A 89 -39.115 -3.423 -23.235 1.00 -0.26 N HETATM 957 CA LEU A 89 -38.974 -4.819 -23.678 1.00 0.14 C HETATM 958 C LEU A 89 -37.495 -5.179 -23.759 1.00 0.21 C HETATM 959 O LEU A 89 -36.797 -4.490 -24.434 1.00 -0.39 O HETATM 960 N LEU A 89 -37.087 -6.237 -23.101 1.00 -0.26 N HETATM 961 CA LEU A 89 -35.664 -6.616 -23.153 1.00 0.13 C HETATM 962 C LEU A 89 -35.368 -7.332 -24.473 1.00 0.20 C HETATM 963 O LEU A 89 -36.099 -8.184 -24.859 1.00 -0.39 O HETATM 964 N LEU A 89 -34.294 -6.935 -25.093 1.00 -0.27 N HETATM 965 CA LEU A 89 -33.821 -7.590 -26.335 1.00 0.10 C HETATM 966 C LEU A 89 -32.356 -8.001 -26.121 1.00 0.06 C HETATM 967 O LEU A 89 -31.844 -8.635 -26.955 1.00 -0.57 O HETATM 968 OXT LEU A 89 -31.806 -7.688 -25.081 1.00 -0.57 O HETATM 969 CB LEU A 89 -34.009 -6.686 -27.564 1.00 -0.01 C HETATM 970 CG1 LEU A 89 -35.464 -6.361 -27.815 1.00 -0.06 C HETATM 971 H84 LEU A 89 -35.548 -5.714 -28.701 1.00 0.02 H HETATM 972 H85 LEU A 89 -35.880 -5.840 -26.940 1.00 0.02 H HETATM 973 H86 LEU A 89 -36.023 -7.292 -27.987 1.00 0.02 H HETATM 974 CG2 LEU A 89 -33.184 -5.429 -27.455 1.00 -0.06 C HETATM 975 H87 LEU A 89 -32.132 -5.695 -27.273 1.00 0.02 H HETATM 976 H88 LEU A 89 -33.557 -4.817 -26.621 1.00 0.02 H HETATM 977 H89 LEU A 89 -33.261 -4.858 -28.392 1.00 0.02 H HETATM 978 H83 LEU A 89 -33.644 -7.245 -28.438 1.00 0.03 H HETATM 979 H82 LEU A 89 -34.416 -8.501 -26.498 1.00 0.07 H HETATM 980 H81 LEU A 89 -33.774 -6.167 -24.720 1.00 0.19 H HETATM 981 CB LEU A 89 -35.311 -7.507 -21.962 1.00 -0.01 C HETATM 982 CG LEU A 89 -33.846 -7.884 -21.835 1.00 -0.04 C HETATM 983 CD1 LEU A 89 -33.013 -6.679 -21.499 1.00 -0.06 C HETATM 984 H75 LEU A 89 -31.957 -6.976 -21.412 1.00 0.02 H HETATM 985 H76 LEU A 89 -33.354 -6.252 -20.544 1.00 0.02 H HETATM 986 H77 LEU A 89 -33.118 -5.927 -22.295 1.00 0.02 H HETATM 987 CD2 LEU A 89 -33.647 -8.976 -20.810 1.00 -0.06 C HETATM 988 H78 LEU A 89 -34.265 -9.846 -21.076 1.00 0.02 H HETATM 989 H79 LEU A 89 -33.943 -8.606 -19.817 1.00 0.02 H HETATM 990 H80 LEU A 89 -32.588 -9.272 -20.790 1.00 0.02 H HETATM 991 H74 LEU A 89 -33.510 -8.269 -22.809 1.00 0.03 H HETATM 992 H72 LEU A 89 -35.893 -8.436 -22.051 1.00 0.03 H HETATM 993 H73 LEU A 89 -35.605 -6.977 -21.044 1.00 0.03 H HETATM 994 H71 LEU A 89 -35.052 -5.704 -23.102 1.00 0.08 H HETATM 995 H70 LEU A 89 -37.735 -6.782 -22.569 1.00 0.19 H HETATM 996 CB LEU A 89 -39.634 -4.942 -25.043 1.00 0.01 C HETATM 997 CG LEU A 89 -39.711 -6.335 -25.521 1.00 -0.00 C HETATM 998 ND1 LEU A 89 -38.730 -6.907 -26.264 1.00 -0.33 N HETATM 999 CE1 LEU A 89 -39.051 -8.145 -26.525 1.00 0.09 C HETATM 1000 NE2 LEU A 89 -40.206 -8.384 -25.998 1.00 -0.28 N HETATM 1001 CD2 LEU A 89 -40.636 -7.279 -25.343 1.00 0.03 C HETATM 1002 H67 LEU A 89 -41.562 -7.180 -24.778 1.00 0.07 H HETATM 1003 H69 LEU A 89 -40.719 -9.274 -26.065 1.00 0.24 H HETATM 1004 H68 LEU A 89 -38.449 -8.855 -27.090 1.00 0.12 H HETATM 1005 H65 LEU A 89 -39.052 -4.354 -25.768 1.00 0.04 H HETATM 1006 H66 LEU A 89 -40.655 -4.537 -24.977 1.00 0.04 H HETATM 1007 H64 LEU A 89 -39.473 -5.491 -22.964 1.00 0.08 H HETATM 1008 H63 LEU A 89 -38.967 -2.686 -23.895 1.00 0.19 H HETATM 1009 H61 LEU A 89 -38.657 -1.133 -21.923 1.00 0.08 H HETATM 1010 H62 LEU A 89 -40.387 -1.254 -22.392 1.00 0.08 H HETATM 1011 H60 LEU A 89 -40.972 -1.313 -20.091 1.00 0.19 H HETATM 1012 CB LEU A 89 -39.237 0.635 -17.693 1.00 -0.01 C HETATM 1013 CG LEU A 89 -40.465 1.518 -17.674 1.00 -0.02 C HETATM 1014 CD LEU A 89 -40.141 2.933 -17.222 1.00 0.06 C HETATM 1015 NE LEU A 89 -40.153 3.010 -15.781 1.00 -0.27 N HETATM 1016 CZ LEU A 89 -39.711 4.029 -15.061 1.00 0.29 C HETATM 1017 NH1 LEU A 89 -39.048 5.007 -15.641 1.00 -0.28 N HETATM 1018 H56 LEU A 89 -38.704 5.800 -15.080 1.00 0.26 H HETATM 1019 H57 LEU A 89 -38.873 4.980 -16.656 1.00 0.26 H HETATM 1020 NH2 LEU A 89 -39.930 4.057 -13.765 1.00 -0.28 N HETATM 1021 H58 LEU A 89 -40.449 3.290 -13.314 1.00 0.26 H HETATM 1022 H59 LEU A 89 -39.583 4.846 -13.201 1.00 0.26 H HETATM 1023 H55 LEU A 89 -40.538 2.203 -15.269 1.00 0.26 H HETATM 1024 H53 LEU A 89 -40.892 3.626 -17.629 1.00 0.07 H HETATM 1025 H54 LEU A 89 -39.144 3.214 -17.593 1.00 0.07 H HETATM 1026 H51 LEU A 89 -41.203 1.085 -16.983 1.00 0.03 H HETATM 1027 H52 LEU A 89 -40.890 1.558 -18.688 1.00 0.03 H HETATM 1028 H49 LEU A 89 -38.555 1.017 -18.467 1.00 0.03 H HETATM 1029 H50 LEU A 89 -38.752 0.706 -16.709 1.00 0.03 H HETATM 1030 H48 LEU A 89 -40.564 -1.088 -17.834 1.00 0.08 H HETATM 1031 H47 LEU A 89 -37.959 -1.043 -16.515 1.00 0.19 H HETATM 1032 CB LEU A 89 -38.803 -3.979 -14.582 1.00 -0.01 C HETATM 1033 CG LEU A 89 -38.107 -4.821 -13.524 1.00 -0.04 C HETATM 1034 CD1 LEU A 89 -39.087 -5.267 -12.453 1.00 -0.06 C HETATM 1035 H41 LEU A 89 -38.559 -5.873 -11.702 1.00 0.02 H HETATM 1036 H42 LEU A 89 -39.885 -5.868 -12.914 1.00 0.02 H HETATM 1037 H43 LEU A 89 -39.527 -4.383 -11.968 1.00 0.02 H HETATM 1038 CD2 LEU A 89 -37.464 -6.025 -14.157 1.00 -0.06 C HETATM 1039 H44 LEU A 89 -36.755 -5.697 -14.932 1.00 0.02 H HETATM 1040 H45 LEU A 89 -38.240 -6.657 -14.614 1.00 0.02 H HETATM 1041 H46 LEU A 89 -36.927 -6.600 -13.389 1.00 0.02 H HETATM 1042 H40 LEU A 89 -37.324 -4.210 -13.051 1.00 0.03 H HETATM 1043 H38 LEU A 89 -39.586 -4.598 -15.045 1.00 0.03 H HETATM 1044 H39 LEU A 89 -39.267 -3.119 -14.078 1.00 0.03 H HETATM 1045 H37 LEU A 89 -37.323 -4.273 -16.120 1.00 0.08 H HETATM 1046 H36 LEU A 89 -37.330 -1.648 -14.638 1.00 0.19 H HETATM 1047 CB LEU A 89 -33.914 -2.193 -13.581 1.00 -0.00 C HETATM 1048 CG LEU A 89 -32.908 -1.247 -12.971 1.00 0.00 C HETATM 1049 CD LEU A 89 -33.497 -0.157 -12.089 1.00 0.04 C HETATM 1050 OE1 LEU A 89 -34.643 -0.308 -11.668 1.00 -0.57 O HETATM 1051 OE2 LEU A 89 -32.779 0.858 -11.849 1.00 -0.57 O HETATM 1052 H34 LEU A 89 -32.357 -0.761 -13.790 1.00 0.04 H HETATM 1053 H35 LEU A 89 -32.211 -1.839 -12.360 1.00 0.04 H HETATM 1054 H32 LEU A 89 -33.378 -3.059 -13.997 1.00 0.03 H HETATM 1055 H33 LEU A 89 -34.603 -2.532 -12.793 1.00 0.03 H HETATM 1056 H31 LEU A 89 -34.027 -1.200 -15.472 1.00 0.08 H HETATM 1057 H30 LEU A 89 -35.638 -0.251 -13.211 1.00 0.19 H HETATM 1058 CB LEU A 89 -35.548 2.918 -14.395 1.00 0.02 C HETATM 1059 CG LEU A 89 -34.801 3.157 -15.683 1.00 -0.04 C HETATM 1060 CD1 LEU A 89 -35.401 3.830 -16.735 1.00 -0.06 C HETATM 1061 CE1 LEU A 89 -34.710 4.053 -17.915 1.00 -0.07 C HETATM 1062 CZ LEU A 89 -33.409 3.611 -18.047 1.00 -0.07 C HETATM 1063 CE2 LEU A 89 -32.802 2.940 -17.007 1.00 -0.07 C HETATM 1064 CD2 LEU A 89 -33.496 2.721 -15.831 1.00 -0.06 C HETATM 1065 H26 LEU A 89 -33.011 2.200 -15.013 1.00 0.06 H HETATM 1066 H28 LEU A 89 -31.783 2.585 -17.111 1.00 0.06 H HETATM 1067 H29 LEU A 89 -32.865 3.791 -18.967 1.00 0.06 H HETATM 1068 H27 LEU A 89 -35.191 4.575 -18.735 1.00 0.06 H HETATM 1069 H25 LEU A 89 -36.420 4.185 -16.634 1.00 0.06 H HETATM 1070 H23 LEU A 89 -34.818 2.672 -13.610 1.00 0.05 H HETATM 1071 H24 LEU A 89 -36.079 3.842 -14.125 1.00 0.05 H HETATM 1072 H22 LEU A 89 -37.340 2.070 -15.206 1.00 0.08 H HETATM 1073 H21 LEU A 89 -37.027 2.217 -12.427 1.00 0.19 H HETATM 1074 CB LEU A 89 -38.365 -0.287 -10.681 1.00 -0.01 C HETATM 1075 CG LEU A 89 -38.973 -1.618 -10.929 1.00 -0.03 C HETATM 1076 CD LEU A 89 -40.383 -1.349 -11.364 1.00 0.04 C HETATM 1077 H19 LEU A 89 -40.730 -2.112 -12.076 1.00 0.05 H HETATM 1078 H20 LEU A 89 -41.064 -1.317 -10.501 1.00 0.05 H HETATM 1079 H17 LEU A 89 -38.965 -2.220 -10.009 1.00 0.03 H HETATM 1080 H18 LEU A 89 -38.423 -2.149 -11.720 1.00 0.03 H HETATM 1081 H15 LEU A 89 -38.606 0.069 -9.669 1.00 0.03 H HETATM 1082 H16 LEU A 89 -37.273 -0.329 -10.804 1.00 0.03 H HETATM 1083 H14 LEU A 89 -39.128 1.641 -11.356 1.00 0.08 H HETATM 1084 CB LEU A 89 -42.064 -1.152 -14.518 1.00 0.01 C HETATM 1085 CG LEU A 89 -43.104 -2.177 -14.982 1.00 -0.04 C HETATM 1086 CD1 LEU A 89 -42.883 -2.542 -16.444 1.00 -0.06 C HETATM 1087 H8 LEU A 89 -43.639 -3.278 -16.756 1.00 0.02 H HETATM 1088 H9 LEU A 89 -41.879 -2.974 -16.566 1.00 0.02 H HETATM 1089 H10 LEU A 89 -42.972 -1.639 -17.065 1.00 0.02 H HETATM 1090 CD2 LEU A 89 -43.062 -3.421 -14.110 1.00 -0.06 C HETATM 1091 H11 LEU A 89 -43.223 -3.138 -13.059 1.00 0.02 H HETATM 1092 H12 LEU A 89 -42.081 -3.907 -14.212 1.00 0.02 H HETATM 1093 H13 LEU A 89 -43.852 -4.118 -14.427 1.00 0.02 H HETATM 1094 H7 LEU A 89 -44.101 -1.723 -14.887 1.00 0.03 H HETATM 1095 H5 LEU A 89 -41.126 -1.696 -14.334 1.00 0.03 H HETATM 1096 H6 LEU A 89 -41.918 -0.436 -15.341 1.00 0.03 H HETATM 1097 H4 LEU A 89 -42.592 -1.040 -12.434 1.00 0.11 H HETATM 1098 H1 LEU A 89 -44.335 -0.095 -13.730 1.00 0.20 H HETATM 1099 H2 LEU A 89 -43.368 1.146 -14.217 1.00 0.20 H HETATM 1100 H3 LEU A 89 -43.772 0.991 -12.629 1.00 0.20 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 928 929 1098 1099 1100 CONECT 929 928 930 1084 1097 CONECT 930 929 931 932 CONECT 931 930 CONECT 932 930 933 1076 CONECT 933 932 934 1074 1083 CONECT 934 933 935 936 CONECT 935 934 CONECT 936 934 937 1073 CONECT 937 936 938 1058 1072 CONECT 938 937 939 940 CONECT 939 938 CONECT 940 938 941 1057 CONECT 941 940 942 1047 1056 CONECT 942 941 943 944 CONECT 943 942 CONECT 944 942 945 1046 CONECT 945 944 946 1032 1045 CONECT 946 945 947 948 CONECT 947 946 CONECT 948 946 949 1031 CONECT 949 948 950 1012 1030 CONECT 950 949 951 952 CONECT 951 950 CONECT 952 950 953 1011 CONECT 953 952 954 1009 1010 CONECT 954 953 955 956 CONECT 955 954 CONECT 956 954 957 1008 CONECT 957 956 958 996 1007 CONECT 958 957 959 960 CONECT 959 958 CONECT 960 958 961 995 CONECT 961 960 962 981 994 CONECT 962 961 963 964 CONECT 963 962 CONECT 964 962 965 980 CONECT 965 964 966 969 979 CONECT 966 965 967 968 CONECT 967 966 CONECT 968 966 CONECT 969 965 970 974 978 CONECT 970 969 971 972 973 CONECT 971 970 CONECT 972 970 CONECT 973 970 CONECT 974 969 975 976 977 CONECT 975 974 CONECT 976 974 CONECT 977 974 CONECT 978 969 CONECT 979 965 CONECT 980 964 CONECT 981 961 982 992 993 CONECT 982 981 983 987 991 CONECT 983 982 984 985 986 CONECT 984 983 CONECT 985 983 CONECT 986 983 CONECT 987 982 988 989 990 CONECT 988 987 CONECT 989 987 CONECT 990 987 CONECT 991 982 CONECT 992 981 CONECT 993 981 CONECT 994 961 CONECT 995 960 CONECT 996 957 997 1005 1006 CONECT 997 996 998 1001 CONECT 998 997 999 CONECT 999 998 1000 1004 CONECT 1000 999 1001 1003 CONECT 1001 997 1000 1002 CONECT 1002 1001 CONECT 1003 1000 CONECT 1004 999 CONECT 1005 996 CONECT 1006 996 CONECT 1007 957 CONECT 1008 956 CONECT 1009 953 CONECT 1010 953 CONECT 1011 952 CONECT 1012 949 1013 1028 1029 CONECT 1013 1012 1014 1026 1027 CONECT 1014 1013 1015 1024 1025 CONECT 1015 1014 1016 1023 CONECT 1016 1015 1017 1020 CONECT 1017 1016 1018 1019 CONECT 1018 1017 CONECT 1019 1017 CONECT 1020 1016 1021 1022 CONECT 1021 1020 CONECT 1022 1020 CONECT 1023 1015 CONECT 1024 1014 CONECT 1025 1014 CONECT 1026 1013 CONECT 1027 1013 CONECT 1028 1012 CONECT 1029 1012 CONECT 1030 949 CONECT 1031 948 CONECT 1032 945 1033 1043 1044 CONECT 1033 1032 1034 1038 1042 CONECT 1034 1033 1035 1036 1037 CONECT 1035 1034 CONECT 1036 1034 CONECT 1037 1034 CONECT 1038 1033 1039 1040 1041 CONECT 1039 1038 CONECT 1040 1038 CONECT 1041 1038 CONECT 1042 1033 CONECT 1043 1032 CONECT 1044 1032 CONECT 1045 945 CONECT 1046 944 CONECT 1047 941 1048 1054 1055 CONECT 1048 1047 1049 1052 1053 CONECT 1049 1048 1050 1051 CONECT 1050 1049 CONECT 1051 1049 CONECT 1052 1048 CONECT 1053 1048 CONECT 1054 1047 CONECT 1055 1047 CONECT 1056 941 CONECT 1057 940 CONECT 1058 937 1059 1070 1071 CONECT 1059 1058 1060 1064 CONECT 1060 1059 1061 1069 CONECT 1061 1060 1062 1068 CONECT 1062 1061 1063 1067 CONECT 1063 1062 1064 1066 CONECT 1064 1059 1063 1065 CONECT 1065 1064 CONECT 1066 1063 CONECT 1067 1062 CONECT 1068 1061 CONECT 1069 1060 CONECT 1070 1058 CONECT 1071 1058 CONECT 1072 937 CONECT 1073 936 CONECT 1074 933 1075 1081 1082 CONECT 1075 1074 1076 1079 1080 CONECT 1076 932 1075 1077 1078 CONECT 1077 1076 CONECT 1078 1076 CONECT 1079 1075 CONECT 1080 1075 CONECT 1081 1074 CONECT 1082 1074 CONECT 1083 933 CONECT 1084 929 1085 1095 1096 CONECT 1085 1084 1086 1090 1094 CONECT 1086 1085 1087 1088 1089 CONECT 1087 1086 CONECT 1088 1086 CONECT 1089 1086 CONECT 1090 1085 1091 1092 1093 CONECT 1091 1090 CONECT 1092 1090 CONECT 1093 1090 CONECT 1094 1085 CONECT 1095 1084 CONECT 1096 1084 CONECT 1097 929 CONECT 1098 928 CONECT 1099 928 CONECT 1100 928 MASTER 0 0 0 0 0 0 0 0 1099 1 177 7 END
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10-mer
3uik
RCSB PDB
PDBbind
10-mer
3uvm
RCSB PDB
PDBbind
10-mer
3zmp
RCSB PDB
PDBbind
10-mer
3zmq
RCSB PDB
PDBbind
10-mer
4bg6
RCSB PDB
PDBbind
10-mer
4e34
RCSB PDB
PDBbind
10-mer
4e35
RCSB PDB
PDBbind
10-mer
4e3b
RCSB PDB
PDBbind
10-mer
4e81
RCSB PDB
PDBbind
10-mer
4e9d
RCSB PDB
PDBbind
10-mer
4er4
RCSB PDB
PDBbind
10-mer
4h39
RCSB PDB
PDBbind
10-mer
4h3b
RCSB PDB
PDBbind
10-mer
4hcz
RCSB PDB
PDBbind
10-mer
4i2w
RCSB PDB
PDBbind
10-mer
4i2z
RCSB PDB
PDBbind
10-mer
4jfd
RCSB PDB
PDBbind
10-mer
4jfe
RCSB PDB
PDBbind
10-mer
4jff
RCSB PDB
PDBbind
10-mer
4jjq
RCSB PDB
PDBbind
10-mer
4joe
RCSB PDB
PDBbind
10-mer
4jof
RCSB PDB
PDBbind
10-mer
4jog
RCSB PDB
PDBbind
10-mer
4joh
RCSB PDB
PDBbind
10-mer
4joj
RCSB PDB
PDBbind
10-mer
4jok
RCSB PDB
PDBbind
10-mer
4k6y
RCSB PDB
PDBbind
10-mer
4k72
RCSB PDB
PDBbind
10-mer
4k75
RCSB PDB
PDBbind
10-mer
4k76
RCSB PDB
PDBbind
10-mer
4k78
RCSB PDB
PDBbind
10-mer
4lnp
RCSB PDB
PDBbind
10-mer
4mdr
RCSB PDB
PDBbind
10-mer
4n84
RCSB PDB
PDBbind
10-mer
4nmo
RCSB PDB
PDBbind
10-mer
4nmp
RCSB PDB
PDBbind
10-mer
4nmq
RCSB PDB
PDBbind
10-mer
4nmr
RCSB PDB
PDBbind
10-mer
4nms
RCSB PDB
PDBbind
10-mer
4nmt
RCSB PDB
PDBbind
10-mer
4nmv
RCSB PDB
PDBbind
10-mer
4o2c
RCSB PDB
PDBbind
10-mer
4oz1
RCSB PDB
PDBbind
10-mer
4p0a
RCSB PDB
PDBbind
10-mer
4p0b
RCSB PDB
PDBbind
10-mer
4qok
RCSB PDB
PDBbind
10-mer
4rqz
RCSB PDB
PDBbind
10-mer
4u90
RCSB PDB
PDBbind
10-mer
4v11
RCSB PDB
PDBbind
10-mer
4wj5
RCSB PDB
PDBbind
10-mer
4x1n
RCSB PDB
PDBbind
10-mer
4x1p
RCSB PDB
PDBbind
10-mer
4x1q
RCSB PDB
PDBbind
10-mer
4x1r
RCSB PDB
PDBbind
10-mer
4x1s
RCSB PDB
PDBbind
10-mer
4x34
RCSB PDB
PDBbind
10-mer
4x3s
RCSB PDB
PDBbind
10-mer
4x8n
RCSB PDB
PDBbind
10-mer
4xhv
RCSB PDB
PDBbind
10-mer
4z0u
RCSB PDB
PDBbind
10-mer
4z7i
RCSB PDB
PDBbind
10-mer
4zhl
RCSB PDB
PDBbind
10-mer
4zhm
RCSB PDB
PDBbind
10-mer
5ab0
RCSB PDB
PDBbind
10-mer
5aei
RCSB PDB
PDBbind
10-mer
5azg
RCSB PDB
PDBbind
10-mer
5c0m
RCSB PDB
PDBbind
10-mer
5c11
RCSB PDB
PDBbind
10-mer
5c13
RCSB PDB
PDBbind
10-mer
5d6y
RCSB PDB
PDBbind
10-mer
5gp7
RCSB PDB
PDBbind
10-mer
5gs4
RCSB PDB
PDBbind
10-mer
5gtr
RCSB PDB
PDBbind
10-mer
5iaw
RCSB PDB
PDBbind
10-mer
5j31
RCSB PDB
PDBbind
10-mer
5jzi
RCSB PDB
PDBbind
10-mer
5myo
RCSB PDB
PDBbind
10-mer
5n1y
RCSB PDB
PDBbind
10-mer
5nx2
RCSB PDB
PDBbind
10-mer
5t6z
RCSB PDB
PDBbind
10-mer
5t70
RCSB PDB
PDBbind
10-mer
5t8r
RCSB PDB
PDBbind
10-mer
5vnb
RCSB PDB
PDBbind
10-mer
5w7i
RCSB PDB
PDBbind
10-mer
5w7j
RCSB PDB
PDBbind
10-mer
5wkf
RCSB PDB
PDBbind
10-mer
5wkh
RCSB PDB
PDBbind
10-mer
6ar2
RCSB PDB
PDBbind
10-mer
6buu
RCSB PDB
PDBbind
10-mer
6fkp
RCSB PDB
PDBbind
10-mer
6mim
RCSB PDB
PDBbind
10-mer
6qtx
RCSB PDB
PDBbind
10-mer
6pek
RCSB PDB
PDBbind
10-mer
6iiw
RCSB PDB
PDBbind
10-mer
6hzx
RCSB PDB
PDBbind
10-mer
6hoi
RCSB PDB
PDBbind
10-mer
6dkp
RCSB PDB
PDBbind
10-mer
6a8n
RCSB PDB
PDBbind
10-mer
Entry Information
PDB ID
5zys
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1
Ligand Name
10-mer
EC.Number
E.C.-.-.-.-
Resolution
1.78(Å)
Affinity (Kd/Ki/IC50)
Kd=0.54uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) J. Am. Soc. Nephrol. Vol. 29: pp. 2362-2371
Ligand Properties
Formula
C
5
6
H
9
1
N
1
5
O
1
3
Molecular Weight
1182.410
Exact Mass
1181.690
No. of atoms
175
No. of bonds
177
Polar Surface Area
450.04
LOGP Value
3.63 (
Computed with XLOGP3
)
0.65 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 10
No. of Hydrogen Bond Acceptors: 14
No. of Rotatable Bonds: 43
No. of Nitrogen and Oxygen Atoms: 28
No. of Rings: 3
Canonical SMILES
CC(C[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)CC(C)C)Cc1nc[nH]c1)CCC[NH+]=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)[NH3+])Cc1ccccc1)CCC(=O)O)C
InChI String
InChI=1S/C56H89N15O13/c1-30(2)22-36(57)54(82)71-21-13-17-43(71)53(81)69-41(25-34-14-10-9-11-15-34)50(78)66-38(18-19-45(73)74)48(76)67-39(23-31(3)4)49(77)65-37(16-12-20-61-56(58)59)47(75)62-28-44(72)64-42(26-35-27-60-29-63-35)51(79)68-40(24-32(5)6)52(80)70-46(33(7)8)55(83)84/h9-11,14-15,27,29-33,36-43,46H,12-13,16-26,28,57H2,1-8H3,(H,60,63)(H,62,75)(H,64,72)(H,65,77)(H,66,78)(H,67,76)(H,68,79)(H,69,81)(H,70,80)(H,73,74)(H,83,84)(H4,58,59,61)/p+2/t36-,37-,38-,39-,40-,41-,42-,43-,46-/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):
Q6RHR9
Entrez Gene ID
NCBI Entrez Gene ID:
14924
ASD
Information of known allosteric effects of PDB entries
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