Browse entries in the PDBbind-CN Database
HEADER 6J3P_COMPLEX COMPND 6J3P_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 108 ASP PRO ASP GLN LEU TYR THR THR LEU LYS ASN LEU LEU SEQRES 2 A 108 ALA GLN ILE LYS SER HIS PRO SER ALA TRP PRO PHE MET SEQRES 3 A 108 GLU PRO VAL LYS LYS SER GLU ALA PRO ASP TYR TYR GLU SEQRES 4 A 108 VAL ILE ARG PHE PRO ILE ASP LEU LYS THR MET THR GLU SEQRES 5 A 108 ARG LEU ARG SER ARG TYR TYR VAL THR ARG LYS LEU PHE SEQRES 6 A 108 VAL ALA ASP LEU GLN ARG VAL ILE ALA ASN CYS ARG GLU SEQRES 7 A 108 TYR ASN PRO PRO ASP SER GLU TYR CYS ARG CYS ALA SER SEQRES 8 A 108 ALA LEU GLU LYS PHE PHE TYR PHE LYS LEU LYS GLU GLY SEQRES 9 A 108 GLY LEU ILE ASP HET B A 8O 56 ATOM 1 N ASP A 729 -18.362 -33.739 -8.461 1.00 28.46 N ATOM 2 CA ASP A 729 -17.047 -34.037 -7.907 1.00 21.71 C ATOM 3 C ASP A 729 -16.867 -33.405 -6.505 1.00 18.16 C ATOM 4 O ASP A 729 -16.317 -32.305 -6.376 1.00 16.80 O ATOM 5 CB ASP A 729 -15.969 -33.525 -8.855 1.00 26.25 C ATOM 6 CG ASP A 729 -14.611 -34.099 -8.590 1.00 30.88 C ATOM 7 OD1 ASP A 729 -14.313 -34.479 -7.424 1.00 26.97 O ATOM 8 OD2 ASP A 729 -13.818 -34.107 -9.588 1.00 25.05 O ATOM 9 HN3 ASP A 729 -18.476 -32.709 -8.546 1.00 0.00 H ATOM 10 HN2 ASP A 729 -19.097 -34.119 -7.831 1.00 0.00 H ATOM 11 HN1 ASP A 729 -18.449 -34.177 -9.400 1.00 0.00 H ATOM 12 N PRO A 730 -17.352 -34.075 -5.446 1.00 15.51 N ATOM 13 CA PRO A 730 -17.373 -33.446 -4.117 1.00 16.56 C ATOM 14 C PRO A 730 -16.001 -33.069 -3.594 1.00 20.04 C ATOM 15 O PRO A 730 -15.829 -32.025 -2.953 1.00 15.53 O ATOM 16 CB PRO A 730 -18.031 -34.497 -3.224 1.00 19.04 C ATOM 17 CG PRO A 730 -18.823 -35.294 -4.158 1.00 24.79 C ATOM 18 CD PRO A 730 -18.121 -35.337 -5.457 1.00 22.59 C ATOM 19 N ASP A 731 -14.991 -33.888 -3.853 1.00 19.91 N ATOM 20 CA ASP A 731 -13.662 -33.551 -3.380 1.00 19.48 C ATOM 21 C ASP A 731 -13.093 -32.330 -4.086 1.00 17.68 C ATOM 22 O ASP A 731 -12.398 -31.510 -3.451 1.00 14.24 O ATOM 23 CB ASP A 731 -12.713 -34.720 -3.597 1.00 24.06 C ATOM 24 CG ASP A 731 -13.022 -35.920 -2.707 1.00 30.86 C ATOM 25 OD1 ASP A 731 -13.794 -35.797 -1.735 1.00 25.39 O ATOM 26 OD2 ASP A 731 -12.458 -37.005 -3.000 1.00 36.33 O ATOM 27 H ASP A 731 -15.150 -34.764 -4.390 1.00 0.00 H ATOM 28 N GLN A 732 -13.269 -32.234 -5.412 1.00 15.33 N ATOM 29 CA GLN A 732 -12.824 -31.040 -6.129 1.00 12.84 C ATOM 30 C GLN A 732 -13.506 -29.808 -5.575 1.00 12.04 C ATOM 31 O GLN A 732 -12.873 -28.742 -5.419 1.00 11.73 O ATOM 32 CB GLN A 732 -13.097 -31.182 -7.635 1.00 14.89 C ATOM 33 CG GLN A 732 -12.751 -29.933 -8.463 1.00 18.10 C ATOM 34 CD GLN A 732 -13.286 -29.962 -9.881 1.00 20.42 C ATOM 35 OE1 GLN A 732 -14.391 -30.448 -10.124 1.00 22.50 O ATOM 36 NE2 GLN A 732 -12.549 -29.422 -10.817 1.00 18.14 N ATOM 37 HE22 GLN A 732 -11.620 -29.020 -10.580 1.00 0.00 H ATOM 38 HE21 GLN A 732 -12.892 -29.395 -11.798 1.00 0.00 H ATOM 39 H GLN A 732 -13.724 -33.011 -5.932 1.00 0.00 H ATOM 40 N LEU A 733 -14.825 -29.911 -5.309 1.00 12.19 N ATOM 41 CA LEU A 733 -15.559 -28.757 -4.838 1.00 10.16 C ATOM 42 C LEU A 733 -15.025 -28.330 -3.482 1.00 9.91 C ATOM 43 O LEU A 733 -14.731 -27.157 -3.256 1.00 10.29 O ATOM 44 CB LEU A 733 -17.053 -29.057 -4.750 1.00 11.07 C ATOM 45 CG LEU A 733 -17.872 -27.858 -4.190 1.00 10.68 C ATOM 46 CD1 LEU A 733 -17.803 -26.666 -5.069 1.00 12.09 C ATOM 47 CD2 LEU A 733 -19.325 -28.284 -3.987 1.00 15.50 C ATOM 48 H LEU A 733 -15.313 -30.819 -5.443 1.00 0.00 H ATOM 49 N TYR A 734 -14.848 -29.307 -2.595 1.00 10.91 N ATOM 50 CA TYR A 734 -14.410 -29.008 -1.246 1.00 8.22 C ATOM 51 C TYR A 734 -13.057 -28.336 -1.242 1.00 9.26 C ATOM 52 O TYR A 734 -12.859 -27.307 -0.591 1.00 9.66 O ATOM 53 CB TYR A 734 -14.367 -30.290 -0.451 1.00 10.53 C ATOM 54 CG TYR A 734 -13.878 -30.105 0.976 1.00 9.63 C ATOM 55 CD1 TYR A 734 -14.756 -29.779 1.990 1.00 10.06 C ATOM 56 CD2 TYR A 734 -12.546 -30.210 1.314 1.00 12.00 C ATOM 57 CE1 TYR A 734 -14.316 -29.630 3.313 1.00 11.99 C ATOM 58 CE2 TYR A 734 -12.081 -30.050 2.646 1.00 10.21 C ATOM 59 CZ TYR A 734 -12.979 -29.782 3.649 1.00 10.84 C ATOM 60 OH TYR A 734 -12.594 -29.651 4.988 1.00 13.24 O ATOM 61 HH TYR A 734 -11.946 -28.907 5.073 1.00 0.00 H ATOM 62 H TYR A 734 -15.026 -30.293 -2.872 1.00 0.00 H ATOM 63 N THR A 735 -12.102 -28.928 -1.975 1.00 10.09 N ATOM 64 CA THR A 735 -10.749 -28.352 -1.960 1.00 10.24 C ATOM 65 C THR A 735 -10.728 -26.974 -2.633 1.00 9.68 C ATOM 66 O THR A 735 -10.003 -26.073 -2.191 1.00 9.97 O ATOM 67 CB THR A 735 -9.744 -29.320 -2.582 1.00 11.34 C ATOM 68 OG1 THR A 735 -10.120 -29.666 -3.874 1.00 15.34 O ATOM 69 CG2 THR A 735 -9.615 -30.542 -1.817 1.00 11.51 C ATOM 70 HG1 THR A 735 -11.009 -30.101 -3.852 1.00 0.00 H ATOM 71 H THR A 735 -12.314 -29.775 -2.541 1.00 0.00 H ATOM 72 N THR A 736 -11.498 -26.797 -3.710 1.00 8.95 N ATOM 73 CA THR A 736 -11.560 -25.501 -4.361 1.00 10.14 C ATOM 74 C THR A 736 -12.099 -24.451 -3.412 1.00 9.45 C ATOM 75 O THR A 736 -11.556 -23.345 -3.323 1.00 9.15 O ATOM 76 CB THR A 736 -12.432 -25.587 -5.605 1.00 8.70 C ATOM 77 OG1 THR A 736 -11.830 -26.479 -6.562 1.00 10.98 O ATOM 78 CG2 THR A 736 -12.565 -24.246 -6.275 1.00 9.90 C ATOM 79 HG1 THR A 736 -11.741 -27.380 -6.161 1.00 0.00 H ATOM 80 H THR A 736 -12.056 -27.591 -4.084 1.00 0.00 H ATOM 81 N LEU A 737 -13.209 -24.762 -2.732 1.00 9.09 N ATOM 82 CA LEU A 737 -13.783 -23.802 -1.789 1.00 7.70 C ATOM 83 C LEU A 737 -12.836 -23.540 -0.609 1.00 6.88 C ATOM 84 O LEU A 737 -12.680 -22.394 -0.169 1.00 9.25 O ATOM 85 CB LEU A 737 -15.150 -24.295 -1.272 1.00 7.86 C ATOM 86 CG LEU A 737 -16.249 -24.402 -2.315 1.00 7.96 C ATOM 87 CD1 LEU A 737 -17.477 -24.923 -1.622 1.00 11.14 C ATOM 88 CD2 LEU A 737 -16.510 -23.130 -3.065 1.00 10.63 C ATOM 89 H LEU A 737 -13.664 -25.686 -2.874 1.00 0.00 H ATOM 90 N LYS A 738 -12.190 -24.586 -0.113 1.00 9.01 N ATOM 91 CA LYS A 738 -11.209 -24.445 0.950 1.00 8.35 C ATOM 92 C LYS A 738 -10.098 -23.494 0.515 1.00 8.06 C ATOM 93 O LYS A 738 -9.707 -22.583 1.260 1.00 9.95 O ATOM 94 CB LYS A 738 -10.660 -25.807 1.319 1.00 9.39 C ATOM 95 CG LYS A 738 -9.644 -25.770 2.474 1.00 13.83 C ATOM 96 CD LYS A 738 -9.209 -27.154 2.918 1.00 15.83 C ATOM 97 CE LYS A 738 -8.163 -27.027 4.053 1.00 17.75 C ATOM 98 NZ LYS A 738 -7.783 -28.350 4.582 1.00 23.10 N ATOM 99 HZ1 LYS A 738 -8.627 -28.826 4.961 1.00 0.00 H ATOM 100 HZ2 LYS A 738 -7.374 -28.923 3.817 1.00 0.00 H ATOM 101 HZ3 LYS A 738 -7.081 -28.230 5.340 1.00 0.00 H ATOM 102 H LYS A 738 -12.390 -25.532 -0.495 1.00 0.00 H ATOM 103 N ASN A 739 -9.564 -23.720 -0.674 1.00 9.51 N ATOM 104 CA ASN A 739 -8.463 -22.880 -1.163 1.00 8.92 C ATOM 105 C ASN A 739 -8.910 -21.456 -1.377 1.00 8.77 C ATOM 106 O ASN A 739 -8.144 -20.509 -1.130 1.00 10.17 O ATOM 107 CB ASN A 739 -7.879 -23.479 -2.451 1.00 8.80 C ATOM 108 CG ASN A 739 -7.124 -24.763 -2.187 1.00 11.29 C ATOM 109 OD1 ASN A 739 -6.783 -25.063 -1.027 1.00 11.49 O ATOM 110 ND2 ASN A 739 -6.841 -25.524 -3.237 1.00 12.25 N ATOM 111 HD22 ASN A 739 -7.146 -25.233 -4.188 1.00 0.00 H ATOM 112 HD21 ASN A 739 -6.314 -26.411 -3.109 1.00 0.00 H ATOM 113 H ASN A 739 -9.925 -24.496 -1.265 1.00 0.00 H ATOM 114 N LEU A 740 -10.125 -21.252 -1.876 1.00 6.45 N ATOM 115 CA LEU A 740 -10.653 -19.925 -2.006 1.00 7.02 C ATOM 116 C LEU A 740 -10.825 -19.236 -0.651 1.00 7.79 C ATOM 117 O LEU A 740 -10.441 -18.086 -0.481 1.00 8.63 O ATOM 118 CB LEU A 740 -11.987 -20.014 -2.750 1.00 9.20 C ATOM 119 CG LEU A 740 -12.749 -18.698 -2.857 1.00 10.70 C ATOM 120 CD1 LEU A 740 -11.920 -17.627 -3.513 1.00 8.83 C ATOM 121 CD2 LEU A 740 -14.041 -18.960 -3.584 1.00 13.40 C ATOM 122 H LEU A 740 -10.700 -22.065 -2.176 1.00 0.00 H ATOM 123 N LEU A 741 -11.496 -19.888 0.290 1.00 8.30 N ATOM 124 CA LEU A 741 -11.757 -19.271 1.581 1.00 9.50 C ATOM 125 C LEU A 741 -10.462 -18.888 2.290 1.00 8.55 C ATOM 126 O LEU A 741 -10.366 -17.830 2.913 1.00 8.98 O ATOM 127 CB LEU A 741 -12.630 -20.241 2.384 1.00 11.61 C ATOM 128 CG LEU A 741 -13.117 -19.738 3.723 1.00 11.68 C ATOM 129 CD1 LEU A 741 -13.945 -18.435 3.534 1.00 12.45 C ATOM 130 CD2 LEU A 741 -13.987 -20.821 4.444 1.00 10.83 C ATOM 131 H LEU A 741 -11.839 -20.852 0.102 1.00 0.00 H ATOM 132 N ALA A 742 -9.432 -19.723 2.159 1.00 9.17 N ATOM 133 CA ALA A 742 -8.151 -19.364 2.750 1.00 9.97 C ATOM 134 C ALA A 742 -7.622 -18.049 2.207 1.00 9.64 C ATOM 135 O ALA A 742 -7.021 -17.258 2.959 1.00 11.00 O ATOM 136 CB ALA A 742 -7.128 -20.469 2.489 1.00 9.78 C ATOM 137 H ALA A 742 -9.542 -20.619 1.642 1.00 0.00 H ATOM 138 N GLN A 743 -7.756 -17.821 0.897 1.00 9.30 N ATOM 139 CA GLN A 743 -7.299 -16.575 0.309 1.00 9.24 C ATOM 140 C GLN A 743 -8.132 -15.387 0.765 1.00 9.36 C ATOM 141 O GLN A 743 -7.585 -14.341 1.089 1.00 8.83 O ATOM 142 CB GLN A 743 -7.304 -16.696 -1.197 1.00 9.37 C ATOM 143 CG GLN A 743 -6.362 -17.777 -1.754 1.00 9.35 C ATOM 144 CD GLN A 743 -6.610 -17.975 -3.217 1.00 15.62 C ATOM 145 OE1 GLN A 743 -6.243 -17.131 -4.022 1.00 11.42 O ATOM 146 NE2 GLN A 743 -7.253 -19.064 -3.581 1.00 30.84 N ATOM 147 HE22 GLN A 743 -7.548 -19.758 -2.865 1.00 0.00 H ATOM 148 HE21 GLN A 743 -7.466 -19.231 -4.585 1.00 0.00 H ATOM 149 H GLN A 743 -8.193 -18.545 0.292 1.00 0.00 H ATOM 150 N ILE A 744 -9.455 -15.525 0.779 1.00 8.74 N ATOM 151 CA ILE A 744 -10.323 -14.441 1.243 1.00 9.30 C ATOM 152 C ILE A 744 -9.986 -14.040 2.684 1.00 7.24 C ATOM 153 O ILE A 744 -9.901 -12.840 3.004 1.00 9.03 O ATOM 154 CB ILE A 744 -11.789 -14.867 1.082 1.00 10.12 C ATOM 155 CG1 ILE A 744 -12.117 -15.045 -0.367 1.00 9.03 C ATOM 156 CG2 ILE A 744 -12.716 -13.854 1.760 1.00 12.44 C ATOM 157 CD1 ILE A 744 -13.475 -15.680 -0.585 1.00 10.62 C ATOM 158 H ILE A 744 -9.880 -16.417 0.455 1.00 0.00 H ATOM 159 N LYS A 745 -9.758 -15.015 3.558 1.00 8.01 N ATOM 160 CA LYS A 745 -9.441 -14.782 4.963 1.00 9.69 C ATOM 161 C LYS A 745 -8.072 -14.151 5.135 1.00 10.29 C ATOM 162 O LYS A 745 -7.778 -13.628 6.208 1.00 12.12 O ATOM 163 CB LYS A 745 -9.557 -16.075 5.731 1.00 8.77 C ATOM 164 CG LYS A 745 -11.023 -16.505 5.952 1.00 9.82 C ATOM 165 CD LYS A 745 -11.179 -17.863 6.510 1.00 12.61 C ATOM 166 CE LYS A 745 -10.591 -18.018 7.874 1.00 16.03 C ATOM 167 NZ LYS A 745 -10.631 -19.490 8.224 1.00 16.57 N ATOM 168 HZ1 LYS A 745 -11.617 -19.821 8.214 1.00 0.00 H ATOM 169 HZ2 LYS A 745 -10.077 -20.026 7.526 1.00 0.00 H ATOM 170 HZ3 LYS A 745 -10.227 -19.631 9.172 1.00 0.00 H ATOM 171 H LYS A 745 -9.808 -15.998 3.222 1.00 0.00 H ATOM 172 N SER A 746 -7.239 -14.181 4.105 1.00 9.71 N ATOM 173 CA SER A 746 -5.909 -13.556 4.126 1.00 10.92 C ATOM 174 C SER A 746 -5.875 -12.121 3.673 1.00 12.15 C ATOM 175 O SER A 746 -4.845 -11.452 3.846 1.00 12.33 O ATOM 176 CB SER A 746 -4.972 -14.354 3.244 1.00 10.54 C ATOM 177 OG SER A 746 -4.909 -15.661 3.725 1.00 13.11 O ATOM 178 HG SER A 746 -5.814 -16.063 3.705 1.00 0.00 H ATOM 179 H SER A 746 -7.541 -14.671 3.239 1.00 0.00 H ATOM 180 N HIS A 747 -6.951 -11.612 3.084 1.00 10.04 N ATOM 181 CA HIS A 747 -6.974 -10.297 2.489 1.00 10.93 C ATOM 182 C HIS A 747 -7.097 -9.228 3.577 1.00 10.92 C ATOM 183 O HIS A 747 -7.846 -9.401 4.559 1.00 10.84 O ATOM 184 CB HIS A 747 -8.150 -10.193 1.492 1.00 11.98 C ATOM 185 CG HIS A 747 -8.068 -8.999 0.618 1.00 10.65 C ATOM 186 ND1 HIS A 747 -8.493 -7.732 1.005 1.00 11.60 N ATOM 187 CD2 HIS A 747 -7.521 -8.851 -0.611 1.00 16.01 C ATOM 188 CE1 HIS A 747 -8.211 -6.879 0.045 1.00 15.66 C ATOM 189 NE2 HIS A 747 -7.645 -7.533 -0.952 1.00 15.00 N ATOM 190 H HIS A 747 -7.817 -12.187 3.050 1.00 0.00 H ATOM 191 N PRO A 748 -6.398 -8.100 3.424 1.00 8.89 N ATOM 192 CA PRO A 748 -6.401 -7.077 4.478 1.00 11.31 C ATOM 193 C PRO A 748 -7.749 -6.484 4.754 1.00 14.07 C ATOM 194 O PRO A 748 -7.997 -6.037 5.875 1.00 18.94 O ATOM 195 CB PRO A 748 -5.414 -6.022 3.945 1.00 15.05 C ATOM 196 CG PRO A 748 -5.257 -6.307 2.551 1.00 17.57 C ATOM 197 CD PRO A 748 -5.519 -7.736 2.312 1.00 13.17 C ATOM 198 N SER A 749 -8.662 -6.518 3.797 1.00 9.96 N ATOM 199 CA SER A 749 -9.982 -5.948 4.002 1.00 11.78 C ATOM 200 C SER A 749 -10.958 -6.905 4.638 1.00 10.18 C ATOM 201 O SER A 749 -12.128 -6.539 4.835 1.00 10.82 O ATOM 202 CB SER A 749 -10.560 -5.473 2.682 1.00 13.44 C ATOM 203 OG SER A 749 -9.795 -4.388 2.172 1.00 13.76 O ATOM 204 HG SER A 749 -8.861 -4.683 2.030 1.00 0.00 H ATOM 205 H SER A 749 -8.431 -6.960 2.884 1.00 0.00 H ATOM 206 N ALA A 750 -10.530 -8.122 4.909 1.00 9.52 N ATOM 207 CA ALA A 750 -11.387 -9.110 5.573 1.00 8.75 C ATOM 208 C ALA A 750 -11.627 -8.810 7.046 1.00 10.25 C ATOM 209 O ALA A 750 -12.516 -9.443 7.639 1.00 10.99 O ATOM 210 CB ALA A 750 -10.832 -10.507 5.392 1.00 11.71 C ATOM 211 H ALA A 750 -9.560 -8.388 4.645 1.00 0.00 H ATOM 212 N TRP A 751 -10.834 -7.939 7.680 1.00 10.93 N ATOM 213 CA TRP A 751 -10.858 -7.844 9.134 1.00 9.98 C ATOM 214 C TRP A 751 -12.224 -7.611 9.760 1.00 12.84 C ATOM 215 O TRP A 751 -12.456 -8.146 10.829 1.00 11.85 O ATOM 216 CB TRP A 751 -9.830 -6.751 9.614 1.00 12.51 C ATOM 217 CG TRP A 751 -10.118 -5.332 9.275 1.00 13.56 C ATOM 218 CD1 TRP A 751 -9.587 -4.575 8.208 1.00 13.07 C ATOM 219 CD2 TRP A 751 -10.964 -4.436 9.974 1.00 12.73 C ATOM 220 NE1 TRP A 751 -10.117 -3.343 8.200 1.00 17.24 N ATOM 221 CE2 TRP A 751 -10.938 -3.201 9.286 1.00 13.94 C ATOM 222 CE3 TRP A 751 -11.744 -4.547 11.122 1.00 13.59 C ATOM 223 CZ2 TRP A 751 -11.662 -2.092 9.710 1.00 16.13 C ATOM 224 CZ3 TRP A 751 -12.478 -3.467 11.529 1.00 16.99 C ATOM 225 CH2 TRP A 751 -12.443 -2.245 10.817 1.00 19.43 C ATOM 226 HE1 TRP A 751 -9.933 -2.612 7.483 1.00 0.00 H ATOM 227 H TRP A 751 -10.197 -7.326 7.132 1.00 0.00 H ATOM 228 N PRO A 752 -13.169 -6.882 9.148 1.00 10.20 N ATOM 229 CA PRO A 752 -14.449 -6.721 9.850 1.00 9.71 C ATOM 230 C PRO A 752 -15.281 -7.969 9.841 1.00 8.89 C ATOM 231 O PRO A 752 -16.295 -8.035 10.560 1.00 10.43 O ATOM 232 CB PRO A 752 -15.143 -5.601 9.081 1.00 11.96 C ATOM 233 CG PRO A 752 -14.085 -4.924 8.281 1.00 11.22 C ATOM 234 CD PRO A 752 -13.080 -6.006 7.973 1.00 8.75 C ATOM 235 N PHE A 753 -14.956 -8.944 8.991 1.00 8.83 N ATOM 236 CA PHE A 753 -15.831 -10.039 8.610 1.00 7.09 C ATOM 237 C PHE A 753 -15.330 -11.386 9.059 1.00 8.31 C ATOM 238 O PHE A 753 -15.886 -12.391 8.673 1.00 9.12 O ATOM 239 CB PHE A 753 -16.008 -9.994 7.077 1.00 11.83 C ATOM 240 CG PHE A 753 -16.362 -8.621 6.540 1.00 11.12 C ATOM 241 CD1 PHE A 753 -17.562 -8.031 6.859 1.00 8.43 C ATOM 242 CD2 PHE A 753 -15.481 -7.865 5.757 1.00 9.38 C ATOM 243 CE1 PHE A 753 -17.882 -6.783 6.455 1.00 10.88 C ATOM 244 CE2 PHE A 753 -15.820 -6.585 5.321 1.00 9.62 C ATOM 245 CZ PHE A 753 -17.024 -6.060 5.653 1.00 10.99 C ATOM 246 H PHE A 753 -14.006 -8.918 8.570 1.00 0.00 H ATOM 247 N MET A 754 -14.259 -11.398 9.856 1.00 9.84 N ATOM 248 CA MET A 754 -13.619 -12.653 10.205 1.00 9.89 C ATOM 249 C MET A 754 -14.421 -13.462 11.211 1.00 10.02 C ATOM 250 O MET A 754 -14.337 -14.695 11.200 1.00 12.27 O ATOM 251 CB MET A 754 -12.225 -12.357 10.767 1.00 12.09 C ATOM 252 CG MET A 754 -11.277 -11.798 9.792 1.00 14.22 C ATOM 253 SD MET A 754 -10.809 -12.933 8.511 1.00 16.00 S ATOM 254 CE MET A 754 -9.653 -13.998 9.344 1.00 15.53 C ATOM 255 H MET A 754 -13.881 -10.503 10.229 1.00 0.00 H ATOM 256 N GLU A 755 -15.180 -12.807 12.099 1.00 10.79 N ATOM 257 CA GLU A 755 -15.921 -13.469 13.169 1.00 10.02 C ATOM 258 C GLU A 755 -17.280 -12.816 13.309 1.00 9.34 C ATOM 259 O GLU A 755 -17.473 -11.670 12.880 1.00 10.16 O ATOM 260 CB GLU A 755 -15.195 -13.395 14.517 1.00 13.92 C ATOM 261 CG GLU A 755 -13.858 -14.129 14.512 1.00 13.53 C ATOM 262 CD GLU A 755 -13.269 -14.137 15.906 1.00 27.25 C ATOM 263 OE1 GLU A 755 -13.062 -13.022 16.470 1.00 39.72 O ATOM 264 OE2 GLU A 755 -13.021 -15.234 16.411 1.00 45.10 O ATOM 265 H GLU A 755 -15.245 -11.772 12.022 1.00 0.00 H ATOM 266 N PRO A 756 -18.247 -13.469 13.965 1.00 10.81 N ATOM 267 CA PRO A 756 -19.584 -12.872 14.099 1.00 9.60 C ATOM 268 C PRO A 756 -19.578 -11.516 14.789 1.00 12.93 C ATOM 269 O PRO A 756 -18.832 -11.268 15.736 1.00 13.31 O ATOM 270 CB PRO A 756 -20.341 -13.897 14.929 1.00 11.85 C ATOM 271 CG PRO A 756 -19.636 -15.187 14.671 1.00 11.96 C ATOM 272 CD PRO A 756 -18.208 -14.844 14.492 1.00 10.69 C ATOM 273 N VAL A 757 -20.455 -10.638 14.333 1.00 10.27 N ATOM 274 CA VAL A 757 -20.641 -9.369 15.014 1.00 11.43 C ATOM 275 C VAL A 757 -21.087 -9.644 16.440 1.00 13.92 C ATOM 276 O VAL A 757 -21.909 -10.526 16.691 1.00 13.08 O ATOM 277 CB VAL A 757 -21.675 -8.513 14.264 1.00 12.42 C ATOM 278 CG1 VAL A 757 -21.938 -7.205 14.998 1.00 13.22 C ATOM 279 CG2 VAL A 757 -21.226 -8.217 12.843 1.00 12.43 C ATOM 280 H VAL A 757 -21.014 -10.857 13.484 1.00 0.00 H ATOM 281 N LYS A 758 -20.500 -8.929 17.388 1.00 13.03 N ATOM 282 CA LYS A 758 -20.887 -9.065 18.794 1.00 11.80 C ATOM 283 C LYS A 758 -22.000 -8.051 19.099 1.00 10.77 C ATOM 284 O LYS A 758 -21.999 -6.947 18.585 1.00 12.84 O ATOM 285 CB LYS A 758 -19.691 -8.823 19.724 1.00 15.84 C ATOM 286 CG LYS A 758 -18.568 -9.845 19.568 1.00 20.73 C ATOM 287 CD LYS A 758 -17.334 -9.396 20.262 1.00 24.04 C ATOM 288 CE LYS A 758 -16.367 -10.577 20.367 1.00 35.74 C ATOM 289 NZ LYS A 758 -16.953 -11.586 21.274 1.00 58.90 N ATOM 290 HZ1 LYS A 758 -17.100 -11.163 22.213 1.00 0.00 H ATOM 291 HZ2 LYS A 758 -17.865 -11.907 20.891 1.00 0.00 H ATOM 292 HZ3 LYS A 758 -16.305 -12.396 21.355 1.00 0.00 H ATOM 293 H LYS A 758 -19.749 -8.258 17.129 1.00 0.00 H ATOM 294 N LYS A 759 -22.903 -8.415 20.006 1.00 15.84 N ATOM 295 CA LYS A 759 -23.933 -7.455 20.448 1.00 15.36 C ATOM 296 C LYS A 759 -23.324 -6.222 21.094 1.00 15.47 C ATOM 297 O LYS A 759 -23.892 -5.126 20.996 1.00 16.66 O ATOM 298 CB LYS A 759 -24.923 -8.171 21.377 1.00 15.99 C ATOM 299 CG LYS A 759 -25.887 -9.068 20.603 1.00 21.25 C ATOM 300 CD LYS A 759 -26.856 -9.754 21.509 1.00 27.04 C ATOM 301 CE LYS A 759 -28.009 -10.368 20.720 1.00 37.39 C ATOM 302 NZ LYS A 759 -27.792 -11.797 20.319 1.00 52.93 N ATOM 303 HZ1 LYS A 759 -26.944 -11.863 19.720 1.00 0.00 H ATOM 304 HZ2 LYS A 759 -27.662 -12.379 21.171 1.00 0.00 H ATOM 305 HZ3 LYS A 759 -28.620 -12.136 19.789 1.00 0.00 H ATOM 306 H LYS A 759 -22.883 -9.376 20.403 1.00 0.00 H ATOM 307 N SER A 760 -22.131 -6.348 21.694 1.00 13.86 N ATOM 308 CA SER A 760 -21.483 -5.164 22.240 1.00 15.80 C ATOM 309 C SER A 760 -20.992 -4.202 21.166 1.00 16.26 C ATOM 310 O SER A 760 -20.869 -2.997 21.428 1.00 24.06 O ATOM 311 CB SER A 760 -20.309 -5.570 23.126 1.00 19.25 C ATOM 312 OG SER A 760 -19.355 -6.351 22.405 1.00 20.69 O ATOM 313 HG SER A 760 -19.006 -5.823 21.644 1.00 0.00 H ATOM 314 H SER A 760 -21.675 -7.280 21.768 1.00 0.00 H ATOM 315 N GLU A 761 -20.802 -4.696 19.942 1.00 12.81 N ATOM 316 CA GLU A 761 -20.415 -3.893 18.789 1.00 12.82 C ATOM 317 C GLU A 761 -21.606 -3.293 18.066 1.00 12.37 C ATOM 318 O GLU A 761 -21.513 -2.173 17.542 1.00 16.12 O ATOM 319 CB GLU A 761 -19.629 -4.759 17.789 1.00 12.68 C ATOM 320 CG GLU A 761 -18.336 -5.293 18.395 1.00 13.52 C ATOM 321 CD GLU A 761 -17.661 -6.421 17.623 1.00 18.84 C ATOM 322 OE1 GLU A 761 -18.348 -7.137 16.856 1.00 15.84 O ATOM 323 OE2 GLU A 761 -16.424 -6.632 17.897 1.00 19.29 O ATOM 324 H GLU A 761 -20.938 -5.717 19.802 1.00 0.00 H ATOM 325 N ALA A 762 -22.711 -3.975 18.075 1.00 13.56 N ATOM 326 CA ALA A 762 -23.922 -3.554 17.352 1.00 12.91 C ATOM 327 C ALA A 762 -25.119 -4.210 18.005 1.00 11.69 C ATOM 328 O ALA A 762 -25.470 -5.354 17.721 1.00 13.10 O ATOM 329 CB ALA A 762 -23.815 -3.939 15.895 1.00 14.16 C ATOM 330 H ALA A 762 -22.742 -4.861 18.619 1.00 0.00 H ATOM 331 N PRO A 763 -25.788 -3.525 18.944 1.00 11.41 N ATOM 332 CA PRO A 763 -26.649 -4.228 19.874 1.00 12.58 C ATOM 333 C PRO A 763 -27.928 -4.796 19.289 1.00 12.17 C ATOM 334 O PRO A 763 -28.476 -5.749 19.856 1.00 13.80 O ATOM 335 CB PRO A 763 -26.994 -3.153 20.909 1.00 16.55 C ATOM 336 CG PRO A 763 -26.010 -2.114 20.733 1.00 23.77 C ATOM 337 CD PRO A 763 -25.356 -2.195 19.392 1.00 15.54 C ATOM 338 N ASP A 764 -28.417 -4.238 18.203 1.00 9.82 N ATOM 339 CA ASP A 764 -29.598 -4.709 17.524 1.00 7.85 C ATOM 340 C ASP A 764 -29.270 -5.539 16.278 1.00 11.55 C ATOM 341 O ASP A 764 -30.153 -5.807 15.484 1.00 11.36 O ATOM 342 CB ASP A 764 -30.467 -3.544 17.104 1.00 10.78 C ATOM 343 CG ASP A 764 -29.811 -2.632 16.083 1.00 12.94 C ATOM 344 OD1 ASP A 764 -28.560 -2.751 15.889 1.00 12.09 O ATOM 345 OD2 ASP A 764 -30.508 -1.750 15.524 1.00 13.08 O ATOM 346 H ASP A 764 -27.924 -3.410 17.812 1.00 0.00 H ATOM 347 N TYR A 765 -28.022 -5.898 16.088 1.00 10.53 N ATOM 348 CA TYR A 765 -27.629 -6.522 14.828 1.00 10.49 C ATOM 349 C TYR A 765 -28.463 -7.756 14.505 1.00 12.19 C ATOM 350 O TYR A 765 -28.807 -7.970 13.331 1.00 10.75 O ATOM 351 CB TYR A 765 -26.139 -6.896 14.886 1.00 9.56 C ATOM 352 CG TYR A 765 -25.575 -7.287 13.533 1.00 8.95 C ATOM 353 CD1 TYR A 765 -25.185 -6.311 12.657 1.00 8.51 C ATOM 354 CD2 TYR A 765 -25.467 -8.594 13.162 1.00 10.70 C ATOM 355 CE1 TYR A 765 -24.680 -6.645 11.387 1.00 10.16 C ATOM 356 CE2 TYR A 765 -24.951 -8.955 11.928 1.00 9.57 C ATOM 357 CZ TYR A 765 -24.574 -7.982 11.048 1.00 10.95 C ATOM 358 OH TYR A 765 -24.079 -8.339 9.790 1.00 11.20 O ATOM 359 HH TYR A 765 -23.854 -7.520 9.281 1.00 0.00 H ATOM 360 H TYR A 765 -27.315 -5.738 16.833 1.00 0.00 H ATOM 361 N TYR A 766 -28.712 -8.615 15.503 1.00 11.83 N ATOM 362 CA TYR A 766 -29.363 -9.915 15.280 1.00 12.71 C ATOM 363 C TYR A 766 -30.871 -9.769 15.169 1.00 13.05 C ATOM 364 O TYR A 766 -31.562 -10.743 14.808 1.00 14.27 O ATOM 365 CB TYR A 766 -28.936 -10.891 16.347 1.00 11.89 C ATOM 366 CG TYR A 766 -27.465 -11.224 16.165 1.00 9.97 C ATOM 367 CD1 TYR A 766 -27.085 -12.170 15.242 1.00 14.45 C ATOM 368 CD2 TYR A 766 -26.477 -10.527 16.822 1.00 10.85 C ATOM 369 CE1 TYR A 766 -25.743 -12.460 14.987 1.00 14.94 C ATOM 370 CE2 TYR A 766 -25.146 -10.797 16.584 1.00 11.41 C ATOM 371 CZ TYR A 766 -24.796 -11.752 15.654 1.00 12.88 C ATOM 372 OH TYR A 766 -23.488 -12.064 15.346 1.00 13.26 O ATOM 373 HH TYR A 766 -23.026 -12.385 16.161 1.00 0.00 H ATOM 374 H TYR A 766 -28.435 -8.353 16.471 1.00 0.00 H ATOM 375 N GLU A 767 -31.410 -8.590 15.442 1.00 10.89 N ATOM 376 CA GLU A 767 -32.784 -8.333 15.016 1.00 10.89 C ATOM 377 C GLU A 767 -32.844 -7.770 13.601 1.00 11.87 C ATOM 378 O GLU A 767 -33.668 -8.195 12.777 1.00 12.97 O ATOM 379 CB GLU A 767 -33.483 -7.392 16.014 1.00 13.84 C ATOM 380 CG GLU A 767 -34.879 -6.951 15.588 1.00 17.58 C ATOM 381 CD GLU A 767 -35.793 -8.108 15.156 1.00 14.28 C ATOM 382 OE1 GLU A 767 -35.759 -9.144 15.796 1.00 16.70 O ATOM 383 OE2 GLU A 767 -36.557 -7.898 14.165 1.00 21.51 O ATOM 384 H GLU A 767 -30.867 -7.862 15.949 1.00 0.00 H ATOM 385 N VAL A 768 -31.945 -6.871 13.236 1.00 11.01 N ATOM 386 CA VAL A 768 -31.960 -6.274 11.913 1.00 10.70 C ATOM 387 C VAL A 768 -31.549 -7.283 10.846 1.00 11.03 C ATOM 388 O VAL A 768 -32.180 -7.375 9.790 1.00 11.62 O ATOM 389 CB VAL A 768 -31.024 -5.058 11.863 1.00 11.55 C ATOM 390 CG1 VAL A 768 -30.954 -4.512 10.511 1.00 14.47 C ATOM 391 CG2 VAL A 768 -31.428 -3.949 12.862 1.00 13.05 C ATOM 392 H VAL A 768 -31.210 -6.585 13.913 1.00 0.00 H ATOM 393 N ILE A 769 -30.421 -7.966 11.055 1.00 10.65 N ATOM 394 CA ILE A 769 -29.822 -8.865 10.079 1.00 11.62 C ATOM 395 C ILE A 769 -30.218 -10.275 10.465 1.00 10.29 C ATOM 396 O ILE A 769 -29.769 -10.817 11.465 1.00 10.06 O ATOM 397 CB ILE A 769 -28.305 -8.683 10.035 1.00 9.58 C ATOM 398 CG1 ILE A 769 -27.882 -7.279 9.533 1.00 10.64 C ATOM 399 CG2 ILE A 769 -27.639 -9.757 9.154 1.00 9.73 C ATOM 400 CD1 ILE A 769 -28.406 -6.952 8.196 1.00 10.38 C ATOM 401 H ILE A 769 -29.941 -7.849 11.970 1.00 0.00 H ATOM 402 N ARG A 770 -31.104 -10.884 9.672 1.00 9.85 N ATOM 403 CA ARG A 770 -31.697 -12.144 10.074 1.00 8.87 C ATOM 404 C ARG A 770 -30.918 -13.370 9.636 1.00 8.80 C ATOM 405 O ARG A 770 -31.197 -14.443 10.132 1.00 10.74 O ATOM 406 CB ARG A 770 -33.117 -12.213 9.507 1.00 11.13 C ATOM 407 CG ARG A 770 -34.054 -11.147 10.137 1.00 11.08 C ATOM 408 CD ARG A 770 -34.217 -11.420 11.620 1.00 10.50 C ATOM 409 NE ARG A 770 -35.287 -10.575 12.179 1.00 11.22 N ATOM 410 CZ ARG A 770 -36.559 -10.888 12.100 1.00 12.46 C ATOM 411 NH1 ARG A 770 -36.930 -12.055 11.580 1.00 12.58 N ATOM 412 NH2 ARG A 770 -37.469 -10.063 12.604 1.00 14.78 N ATOM 413 HE ARG A 770 -35.022 -9.691 12.658 1.00 0.00 H ATOM 414 HH12 ARG A 770 -37.939 -12.300 11.519 1.00 0.00 H ATOM 415 HH11 ARG A 770 -36.211 -12.722 11.235 1.00 0.00 H ATOM 416 HH22 ARG A 770 -38.479 -10.304 12.545 1.00 0.00 H ATOM 417 HH21 ARG A 770 -37.172 -9.176 13.058 1.00 0.00 H ATOM 418 H ARG A 770 -31.369 -10.453 8.764 1.00 0.00 H ATOM 419 N PHE A 771 -29.983 -13.237 8.674 1.00 8.41 N ATOM 420 CA PHE A 771 -29.083 -14.309 8.266 1.00 8.20 C ATOM 421 C PHE A 771 -27.630 -13.840 8.388 1.00 9.70 C ATOM 422 O PHE A 771 -26.938 -13.584 7.396 1.00 9.82 O ATOM 423 CB PHE A 771 -29.373 -14.790 6.843 1.00 8.15 C ATOM 424 CG PHE A 771 -30.742 -15.469 6.694 1.00 7.63 C ATOM 425 CD1 PHE A 771 -30.913 -16.762 7.084 1.00 10.46 C ATOM 426 CD2 PHE A 771 -31.828 -14.796 6.133 1.00 9.42 C ATOM 427 CE1 PHE A 771 -32.152 -17.389 6.975 1.00 10.41 C ATOM 428 CE2 PHE A 771 -33.046 -15.444 5.994 1.00 9.95 C ATOM 429 CZ PHE A 771 -33.199 -16.714 6.419 1.00 10.06 C ATOM 430 H PHE A 771 -29.899 -12.317 8.196 1.00 0.00 H ATOM 431 N PRO A 772 -27.194 -13.616 9.625 1.00 8.91 N ATOM 432 CA PRO A 772 -25.843 -13.147 9.872 1.00 8.62 C ATOM 433 C PRO A 772 -24.856 -14.174 9.382 1.00 8.41 C ATOM 434 O PRO A 772 -25.066 -15.380 9.516 1.00 9.28 O ATOM 435 CB PRO A 772 -25.819 -13.004 11.409 1.00 9.22 C ATOM 436 CG PRO A 772 -26.855 -13.964 11.879 1.00 12.11 C ATOM 437 CD PRO A 772 -27.920 -13.854 10.883 1.00 9.22 C ATOM 438 N ILE A 773 -23.730 -13.698 8.860 1.00 6.83 N ATOM 439 CA ILE A 773 -22.698 -14.609 8.353 1.00 9.31 C ATOM 440 C ILE A 773 -21.365 -13.897 8.378 1.00 7.55 C ATOM 441 O ILE A 773 -21.298 -12.669 8.289 1.00 9.13 O ATOM 442 CB ILE A 773 -23.082 -15.096 6.928 1.00 7.53 C ATOM 443 CG1 ILE A 773 -22.245 -16.264 6.443 1.00 7.64 C ATOM 444 CG2 ILE A 773 -23.115 -13.973 5.875 1.00 9.49 C ATOM 445 CD1 ILE A 773 -22.319 -17.528 7.225 1.00 10.46 C ATOM 446 H ILE A 773 -23.579 -12.670 8.811 1.00 0.00 H ATOM 447 N ASP A 774 -20.291 -14.671 8.464 1.00 8.81 N ATOM 448 CA ASP A 774 -18.943 -14.184 8.656 1.00 7.23 C ATOM 449 C ASP A 774 -18.019 -15.322 8.238 1.00 9.37 C ATOM 450 O ASP A 774 -18.456 -16.444 8.047 1.00 9.66 O ATOM 451 CB ASP A 774 -18.693 -13.822 10.097 1.00 10.83 C ATOM 452 CG ASP A 774 -18.835 -15.038 10.973 1.00 10.93 C ATOM 453 OD1 ASP A 774 -19.985 -15.446 11.351 1.00 10.83 O ATOM 454 OD2 ASP A 774 -17.790 -15.706 11.198 1.00 9.95 O ATOM 455 H ASP A 774 -20.428 -15.699 8.388 1.00 0.00 H ATOM 456 N LEU A 775 -16.732 -15.023 8.138 1.00 8.66 N ATOM 457 CA LEU A 775 -15.818 -16.012 7.568 1.00 8.83 C ATOM 458 C LEU A 775 -15.479 -17.177 8.479 1.00 9.73 C ATOM 459 O LEU A 775 -15.111 -18.239 7.982 1.00 10.47 O ATOM 460 CB LEU A 775 -14.562 -15.299 7.099 1.00 8.67 C ATOM 461 CG LEU A 775 -14.814 -14.254 6.040 1.00 7.52 C ATOM 462 CD1 LEU A 775 -13.568 -13.371 5.718 1.00 9.94 C ATOM 463 CD2 LEU A 775 -15.295 -14.838 4.719 1.00 12.27 C ATOM 464 H LEU A 775 -16.378 -14.100 8.460 1.00 0.00 H ATOM 465 N LYS A 776 -15.580 -16.991 9.798 1.00 8.61 N ATOM 466 CA LYS A 776 -15.395 -18.101 10.721 1.00 8.97 C ATOM 467 C LYS A 776 -16.555 -19.068 10.613 1.00 10.83 C ATOM 468 O LYS A 776 -16.353 -20.273 10.490 1.00 8.94 O ATOM 469 CB LYS A 776 -15.228 -17.578 12.132 1.00 9.44 C ATOM 470 CG LYS A 776 -15.110 -18.706 13.174 1.00 13.38 C ATOM 471 CD LYS A 776 -14.837 -18.144 14.605 1.00 18.67 C ATOM 472 CE LYS A 776 -14.695 -19.247 15.682 1.00 23.03 C ATOM 473 NZ LYS A 776 -16.019 -19.715 16.118 1.00 29.84 N ATOM 474 HZ1 LYS A 776 -16.553 -18.917 16.519 1.00 0.00 H ATOM 475 HZ2 LYS A 776 -16.534 -20.103 15.302 1.00 0.00 H ATOM 476 HZ3 LYS A 776 -15.903 -20.454 16.840 1.00 0.00 H ATOM 477 H LYS A 776 -15.793 -16.043 10.169 1.00 0.00 H ATOM 478 N THR A 777 -17.791 -18.548 10.580 1.00 9.27 N ATOM 479 CA THR A 777 -18.930 -19.420 10.378 1.00 9.10 C ATOM 480 C THR A 777 -18.857 -20.119 9.019 1.00 10.06 C ATOM 481 O THR A 777 -19.171 -21.301 8.903 1.00 8.07 O ATOM 482 CB THR A 777 -20.229 -18.609 10.536 1.00 9.15 C ATOM 483 OG1 THR A 777 -20.246 -18.009 11.845 1.00 12.80 O ATOM 484 CG2 THR A 777 -21.433 -19.531 10.303 1.00 9.48 C ATOM 485 HG1 THR A 777 -21.079 -17.485 11.956 1.00 0.00 H ATOM 486 H THR A 777 -17.931 -17.524 10.699 1.00 0.00 H ATOM 487 N MET A 778 -18.375 -19.416 7.981 1.00 9.66 N ATOM 488 CA MET A 778 -18.220 -20.065 6.673 1.00 7.93 C ATOM 489 C MET A 778 -17.175 -21.175 6.736 1.00 7.96 C ATOM 490 O MET A 778 -17.334 -22.210 6.087 1.00 8.76 O ATOM 491 CB MET A 778 -17.869 -19.039 5.644 1.00 8.76 C ATOM 492 CG MET A 778 -19.036 -18.154 5.213 1.00 9.54 C ATOM 493 SD MET A 778 -18.682 -17.153 3.731 1.00 11.44 S ATOM 494 CE MET A 778 -18.549 -18.504 2.527 1.00 11.73 C ATOM 495 H MET A 778 -18.113 -18.417 8.103 1.00 0.00 H ATOM 496 N THR A 779 -16.138 -20.966 7.543 1.00 8.05 N ATOM 497 CA THR A 779 -15.117 -22.001 7.708 1.00 6.67 C ATOM 498 C THR A 779 -15.699 -23.242 8.397 1.00 7.37 C ATOM 499 O THR A 779 -15.434 -24.390 7.978 1.00 9.01 O ATOM 500 CB THR A 779 -13.960 -21.453 8.522 1.00 9.86 C ATOM 501 OG1 THR A 779 -13.358 -20.357 7.860 1.00 10.32 O ATOM 502 CG2 THR A 779 -12.867 -22.494 8.751 1.00 11.25 C ATOM 503 HG1 THR A 779 -14.029 -19.640 7.734 1.00 0.00 H ATOM 504 H THR A 779 -16.053 -20.066 8.057 1.00 0.00 H ATOM 505 N GLU A 780 -16.533 -23.032 9.415 1.00 9.39 N ATOM 506 CA GLU A 780 -17.205 -24.122 10.108 1.00 8.89 C ATOM 507 C GLU A 780 -18.167 -24.851 9.195 1.00 8.19 C ATOM 508 O GLU A 780 -18.226 -26.087 9.181 1.00 10.63 O ATOM 509 CB GLU A 780 -17.883 -23.529 11.348 1.00 8.83 C ATOM 510 CG GLU A 780 -16.867 -23.055 12.382 1.00 11.16 C ATOM 511 CD GLU A 780 -17.409 -22.165 13.451 1.00 14.34 C ATOM 512 OE1 GLU A 780 -18.587 -21.752 13.393 1.00 17.93 O ATOM 513 OE2 GLU A 780 -16.607 -21.810 14.339 1.00 18.79 O ATOM 514 H GLU A 780 -16.710 -22.055 9.725 1.00 0.00 H ATOM 515 N ARG A 781 -18.917 -24.103 8.391 1.00 8.14 N ATOM 516 CA ARG A 781 -19.831 -24.693 7.431 1.00 9.40 C ATOM 517 C ARG A 781 -19.065 -25.521 6.405 1.00 7.65 C ATOM 518 O ARG A 781 -19.457 -26.614 6.055 1.00 9.46 O ATOM 519 CB ARG A 781 -20.689 -23.581 6.798 1.00 8.47 C ATOM 520 CG ARG A 781 -21.791 -23.099 7.737 1.00 8.57 C ATOM 521 CD ARG A 781 -22.625 -22.008 7.093 1.00 9.29 C ATOM 522 NE ARG A 781 -23.728 -21.693 8.024 1.00 10.44 N ATOM 523 CZ ARG A 781 -24.851 -21.073 7.664 1.00 12.43 C ATOM 524 NH1 ARG A 781 -25.011 -20.581 6.429 1.00 11.65 N ATOM 525 NH2 ARG A 781 -25.781 -20.903 8.602 1.00 15.70 N ATOM 526 HE ARG A 781 -23.621 -21.972 9.020 1.00 0.00 H ATOM 527 HH12 ARG A 781 -25.897 -20.101 6.171 1.00 0.00 H ATOM 528 HH11 ARG A 781 -24.249 -20.679 5.728 1.00 0.00 H ATOM 529 HH22 ARG A 781 -26.674 -20.424 8.368 1.00 0.00 H ATOM 530 HH21 ARG A 781 -25.614 -21.249 9.569 1.00 0.00 H ATOM 531 H ARG A 781 -18.846 -23.067 8.452 1.00 0.00 H ATOM 532 N LEU A 782 -17.999 -24.966 5.849 1.00 8.71 N ATOM 533 CA LEU A 782 -17.196 -25.700 4.899 1.00 8.04 C ATOM 534 C LEU A 782 -16.745 -27.030 5.500 1.00 9.01 C ATOM 535 O LEU A 782 -16.904 -28.114 4.904 1.00 9.00 O ATOM 536 CB LEU A 782 -15.984 -24.858 4.480 1.00 9.07 C ATOM 537 CG LEU A 782 -14.967 -25.567 3.570 1.00 10.56 C ATOM 538 CD1 LEU A 782 -15.566 -25.813 2.201 1.00 15.03 C ATOM 539 CD2 LEU A 782 -13.671 -24.810 3.467 1.00 15.92 C ATOM 540 H LEU A 782 -17.737 -23.991 6.099 1.00 0.00 H ATOM 541 N ARG A 783 -16.153 -26.956 6.672 1.00 9.45 N ATOM 542 CA ARG A 783 -15.576 -28.154 7.267 1.00 8.41 C ATOM 543 C ARG A 783 -16.611 -29.182 7.670 1.00 9.84 C ATOM 544 O ARG A 783 -16.276 -30.382 7.736 1.00 11.64 O ATOM 545 CB ARG A 783 -14.713 -27.779 8.462 1.00 12.50 C ATOM 546 CG ARG A 783 -13.420 -27.061 8.015 1.00 11.13 C ATOM 547 CD ARG A 783 -12.721 -26.293 9.084 1.00 11.02 C ATOM 548 NE ARG A 783 -12.348 -27.142 10.228 1.00 10.49 N ATOM 549 CZ ARG A 783 -11.252 -27.891 10.286 1.00 12.10 C ATOM 550 NH1 ARG A 783 -10.427 -27.982 9.253 1.00 12.81 N ATOM 551 NH2 ARG A 783 -11.006 -28.556 11.432 1.00 12.99 N ATOM 552 HE ARG A 783 -12.987 -27.156 11.048 1.00 0.00 H ATOM 553 HH12 ARG A 783 -9.574 -28.574 9.319 1.00 0.00 H ATOM 554 HH11 ARG A 783 -10.632 -27.462 8.376 1.00 0.00 H ATOM 555 HH22 ARG A 783 -10.158 -29.152 11.515 1.00 0.00 H ATOM 556 HH21 ARG A 783 -11.664 -28.473 12.233 1.00 0.00 H ATOM 557 H ARG A 783 -16.097 -26.046 7.172 1.00 0.00 H ATOM 558 N SER A 784 -17.843 -28.766 7.957 1.00 9.77 N ATOM 559 CA SER A 784 -18.904 -29.721 8.253 1.00 10.89 C ATOM 560 C SER A 784 -19.679 -30.153 7.017 1.00 11.34 C ATOM 561 O SER A 784 -20.701 -30.843 7.148 1.00 13.03 O ATOM 562 CB SER A 784 -19.840 -29.158 9.304 1.00 12.71 C ATOM 563 OG SER A 784 -20.514 -28.014 8.817 1.00 14.11 O ATOM 564 HG SER A 784 -19.851 -27.320 8.575 1.00 0.00 H ATOM 565 H SER A 784 -18.051 -27.747 7.970 1.00 0.00 H ATOM 566 N ARG A 785 -19.165 -29.829 5.819 1.00 10.21 N ATOM 567 CA ARG A 785 -19.729 -30.225 4.542 1.00 10.10 C ATOM 568 C ARG A 785 -21.132 -29.669 4.335 1.00 10.37 C ATOM 569 O ARG A 785 -21.961 -30.291 3.677 1.00 13.03 O ATOM 570 CB ARG A 785 -19.726 -31.758 4.404 1.00 12.99 C ATOM 571 CG ARG A 785 -18.338 -32.407 4.556 1.00 22.66 C ATOM 572 CD ARG A 785 -17.329 -31.700 3.794 1.00 23.63 C ATOM 573 NE ARG A 785 -15.987 -32.325 3.850 1.00 25.01 N ATOM 574 CZ ARG A 785 -15.434 -33.045 2.876 1.00 22.84 C ATOM 575 NH1 ARG A 785 -16.071 -33.252 1.709 1.00 20.20 N ATOM 576 NH2 ARG A 785 -14.168 -33.482 3.002 1.00 14.71 N ATOM 577 HE ARG A 785 -15.433 -32.191 4.720 1.00 0.00 H ATOM 578 HH12 ARG A 785 -15.619 -33.818 0.963 1.00 0.00 H ATOM 579 HH11 ARG A 785 -17.016 -32.846 1.553 1.00 0.00 H ATOM 580 HH22 ARG A 785 -13.734 -34.045 2.242 1.00 0.00 H ATOM 581 HH21 ARG A 785 -13.623 -33.257 3.859 1.00 0.00 H ATOM 582 H ARG A 785 -18.300 -29.252 5.806 1.00 0.00 H ATOM 583 N TYR A 786 -21.344 -28.459 4.836 1.00 10.09 N ATOM 584 CA TYR A 786 -22.551 -27.712 4.530 1.00 9.16 C ATOM 585 C TYR A 786 -22.611 -27.310 3.066 1.00 11.77 C ATOM 586 O TYR A 786 -23.706 -27.305 2.474 1.00 10.94 O ATOM 587 CB TYR A 786 -22.608 -26.476 5.425 1.00 11.27 C ATOM 588 CG TYR A 786 -23.860 -25.633 5.335 1.00 10.38 C ATOM 589 CD1 TYR A 786 -23.975 -24.636 4.412 1.00 10.62 C ATOM 590 CD2 TYR A 786 -24.866 -25.805 6.247 1.00 13.01 C ATOM 591 CE1 TYR A 786 -25.151 -23.830 4.369 1.00 11.30 C ATOM 592 CE2 TYR A 786 -26.028 -25.036 6.217 1.00 12.68 C ATOM 593 CZ TYR A 786 -26.150 -24.068 5.279 1.00 11.63 C ATOM 594 OH TYR A 786 -27.288 -23.293 5.256 1.00 12.09 O ATOM 595 HH TYR A 786 -27.224 -22.637 4.518 1.00 0.00 H ATOM 596 H TYR A 786 -20.629 -28.036 5.462 1.00 0.00 H ATOM 597 N TYR A 787 -21.471 -26.953 2.452 1.00 10.59 N ATOM 598 CA TYR A 787 -21.457 -26.385 1.104 1.00 8.65 C ATOM 599 C TYR A 787 -21.396 -27.492 0.070 1.00 11.81 C ATOM 600 O TYR A 787 -20.389 -27.718 -0.588 1.00 13.46 O ATOM 601 CB TYR A 787 -20.285 -25.401 0.944 1.00 8.70 C ATOM 602 CG TYR A 787 -20.405 -24.229 1.832 1.00 7.37 C ATOM 603 CD1 TYR A 787 -21.563 -23.455 1.882 1.00 10.16 C ATOM 604 CD2 TYR A 787 -19.341 -23.812 2.666 1.00 9.26 C ATOM 605 CE1 TYR A 787 -21.658 -22.378 2.696 1.00 9.09 C ATOM 606 CE2 TYR A 787 -19.440 -22.717 3.452 1.00 9.09 C ATOM 607 CZ TYR A 787 -20.599 -21.992 3.489 1.00 8.43 C ATOM 608 OH TYR A 787 -20.673 -20.941 4.345 1.00 11.25 O ATOM 609 HH TYR A 787 -21.562 -20.513 4.264 1.00 0.00 H ATOM 610 H TYR A 787 -20.568 -27.085 2.951 1.00 0.00 H ATOM 611 N VAL A 788 -22.531 -28.209 -0.036 1.00 11.48 N ATOM 612 CA VAL A 788 -22.621 -29.333 -0.973 1.00 11.36 C ATOM 613 C VAL A 788 -22.741 -28.863 -2.422 1.00 12.37 C ATOM 614 O VAL A 788 -22.592 -29.680 -3.350 1.00 13.95 O ATOM 615 CB VAL A 788 -23.776 -30.291 -0.594 1.00 15.24 C ATOM 616 CG1 VAL A 788 -23.505 -31.006 0.734 1.00 20.06 C ATOM 617 CG2 VAL A 788 -25.066 -29.596 -0.485 1.00 15.18 C ATOM 618 H VAL A 788 -23.352 -27.963 0.553 1.00 0.00 H ATOM 619 N THR A 789 -23.017 -27.570 -2.640 1.00 9.94 N ATOM 620 CA THR A 789 -22.966 -26.952 -3.948 1.00 10.57 C ATOM 621 C THR A 789 -22.109 -25.695 -3.869 1.00 10.11 C ATOM 622 O THR A 789 -22.053 -24.993 -2.846 1.00 10.50 O ATOM 623 CB THR A 789 -24.344 -26.539 -4.471 1.00 9.90 C ATOM 624 OG1 THR A 789 -24.848 -25.547 -3.582 1.00 10.48 O ATOM 625 CG2 THR A 789 -25.241 -27.717 -4.524 1.00 13.43 C ATOM 626 HG1 THR A 789 -24.232 -24.772 -3.570 1.00 0.00 H ATOM 627 H THR A 789 -23.282 -26.979 -1.826 1.00 0.00 H ATOM 628 N ARG A 790 -21.514 -25.347 -5.015 1.00 10.17 N ATOM 629 CA ARG A 790 -20.834 -24.074 -5.155 1.00 10.56 C ATOM 630 C ARG A 790 -21.761 -22.924 -4.837 1.00 10.11 C ATOM 631 O ARG A 790 -21.377 -21.984 -4.146 1.00 9.34 O ATOM 632 CB ARG A 790 -20.307 -23.958 -6.587 1.00 15.56 C ATOM 633 CG ARG A 790 -19.769 -22.635 -6.985 1.00 19.59 C ATOM 634 CD ARG A 790 -19.515 -22.562 -8.545 1.00 21.43 C ATOM 635 NE ARG A 790 -20.756 -22.695 -9.307 1.00 28.55 N ATOM 636 CZ ARG A 790 -21.648 -21.713 -9.478 1.00 32.17 C ATOM 637 NH1 ARG A 790 -22.767 -21.957 -10.148 1.00 36.43 N ATOM 638 NH2 ARG A 790 -21.449 -20.483 -8.985 1.00 33.69 N ATOM 639 HE ARG A 790 -20.959 -23.616 -9.746 1.00 0.00 H ATOM 640 HH12 ARG A 790 -23.466 -21.200 -10.286 1.00 0.00 H ATOM 641 HH11 ARG A 790 -22.945 -22.906 -10.535 1.00 0.00 H ATOM 642 HH22 ARG A 790 -22.162 -19.741 -9.135 1.00 0.00 H ATOM 643 HH21 ARG A 790 -20.582 -20.270 -8.452 1.00 0.00 H ATOM 644 H ARG A 790 -21.540 -26.003 -5.822 1.00 0.00 H ATOM 645 N LYS A 791 -23.012 -22.999 -5.301 1.00 8.91 N ATOM 646 CA LYS A 791 -23.906 -21.878 -5.083 1.00 9.17 C ATOM 647 C LYS A 791 -24.173 -21.608 -3.591 1.00 8.06 C ATOM 648 O LYS A 791 -24.357 -20.441 -3.202 1.00 10.49 O ATOM 649 CB LYS A 791 -25.240 -22.107 -5.832 1.00 11.88 C ATOM 650 CG LYS A 791 -25.188 -21.909 -7.356 1.00 13.61 C ATOM 651 CD LYS A 791 -26.502 -22.270 -8.014 1.00 22.25 C ATOM 652 CE LYS A 791 -27.469 -21.158 -7.957 1.00 37.12 C ATOM 653 NZ LYS A 791 -28.751 -21.579 -8.650 1.00 54.13 N ATOM 654 HZ1 LYS A 791 -28.546 -21.815 -9.642 1.00 0.00 H ATOM 655 HZ2 LYS A 791 -29.146 -22.412 -8.169 1.00 0.00 H ATOM 656 HZ3 LYS A 791 -29.437 -20.798 -8.613 1.00 0.00 H ATOM 657 H LYS A 791 -23.338 -23.846 -5.809 1.00 0.00 H ATOM 658 N LEU A 792 -24.258 -22.656 -2.765 1.00 9.21 N ATOM 659 CA LEU A 792 -24.484 -22.436 -1.325 1.00 8.30 C ATOM 660 C LEU A 792 -23.340 -21.643 -0.720 1.00 8.85 C ATOM 661 O LEU A 792 -23.555 -20.763 0.124 1.00 8.90 O ATOM 662 CB LEU A 792 -24.681 -23.776 -0.611 1.00 9.47 C ATOM 663 CG LEU A 792 -26.046 -24.413 -0.645 1.00 9.76 C ATOM 664 CD1 LEU A 792 -25.989 -25.876 -0.218 1.00 14.03 C ATOM 665 CD2 LEU A 792 -27.020 -23.614 0.188 1.00 11.80 C ATOM 666 H LEU A 792 -24.165 -23.623 -3.137 1.00 0.00 H ATOM 667 N PHE A 793 -22.102 -21.926 -1.140 1.00 8.62 N ATOM 668 CA PHE A 793 -20.959 -21.146 -0.668 1.00 8.09 C ATOM 669 C PHE A 793 -21.026 -19.710 -1.145 1.00 7.97 C ATOM 670 O PHE A 793 -20.802 -18.772 -0.372 1.00 8.60 O ATOM 671 CB PHE A 793 -19.668 -21.828 -1.182 1.00 7.73 C ATOM 672 CG PHE A 793 -18.391 -21.105 -0.791 1.00 8.05 C ATOM 673 CD1 PHE A 793 -17.923 -20.046 -1.550 1.00 8.90 C ATOM 674 CD2 PHE A 793 -17.704 -21.495 0.291 1.00 9.25 C ATOM 675 CE1 PHE A 793 -16.779 -19.371 -1.166 1.00 9.80 C ATOM 676 CE2 PHE A 793 -16.545 -20.828 0.694 1.00 10.32 C ATOM 677 CZ PHE A 793 -16.077 -19.789 -0.080 1.00 9.74 C ATOM 678 H PHE A 793 -21.951 -22.708 -1.809 1.00 0.00 H ATOM 679 N VAL A 794 -21.262 -19.527 -2.453 1.00 8.65 N ATOM 680 CA VAL A 794 -21.316 -18.191 -3.016 1.00 9.71 C ATOM 681 C VAL A 794 -22.429 -17.370 -2.380 1.00 7.99 C ATOM 682 O VAL A 794 -22.248 -16.185 -2.146 1.00 8.67 O ATOM 683 CB VAL A 794 -21.448 -18.302 -4.537 1.00 9.73 C ATOM 684 CG1 VAL A 794 -21.649 -16.932 -5.132 1.00 12.50 C ATOM 685 CG2 VAL A 794 -20.157 -18.902 -5.114 1.00 13.42 C ATOM 686 H VAL A 794 -21.408 -20.352 -3.070 1.00 0.00 H ATOM 687 N ALA A 795 -23.577 -17.994 -2.093 1.00 9.15 N ATOM 688 CA ALA A 795 -24.664 -17.278 -1.432 1.00 9.00 C ATOM 689 C ALA A 795 -24.182 -16.728 -0.096 1.00 8.05 C ATOM 690 O ALA A 795 -24.478 -15.574 0.271 1.00 8.51 O ATOM 691 CB ALA A 795 -25.880 -18.196 -1.244 1.00 11.33 C ATOM 692 H ALA A 795 -23.696 -18.997 -2.343 1.00 0.00 H ATOM 693 N ASP A 796 -23.478 -17.551 0.676 1.00 7.71 N ATOM 694 CA ASP A 796 -23.044 -17.095 1.984 1.00 7.15 C ATOM 695 C ASP A 796 -22.023 -15.973 1.850 1.00 8.27 C ATOM 696 O ASP A 796 -22.086 -14.993 2.558 1.00 8.32 O ATOM 697 CB ASP A 796 -22.442 -18.250 2.801 1.00 8.27 C ATOM 698 CG ASP A 796 -23.472 -19.030 3.609 1.00 9.37 C ATOM 699 OD1 ASP A 796 -24.706 -18.820 3.439 1.00 9.70 O ATOM 700 OD2 ASP A 796 -23.045 -19.896 4.406 1.00 11.27 O ATOM 701 H ASP A 796 -23.242 -18.509 0.347 1.00 0.00 H ATOM 702 N LEU A 797 -21.063 -16.124 0.966 1.00 7.52 N ATOM 703 CA LEU A 797 -20.031 -15.120 0.762 1.00 7.12 C ATOM 704 C LEU A 797 -20.613 -13.789 0.324 1.00 7.07 C ATOM 705 O LEU A 797 -20.284 -12.734 0.874 1.00 8.43 O ATOM 706 CB LEU A 797 -19.058 -15.663 -0.279 1.00 8.94 C ATOM 707 CG LEU A 797 -17.886 -14.776 -0.563 1.00 9.16 C ATOM 708 CD1 LEU A 797 -17.034 -14.578 0.679 1.00 12.36 C ATOM 709 CD2 LEU A 797 -17.076 -15.369 -1.728 1.00 9.95 C ATOM 710 H LEU A 797 -21.040 -16.991 0.392 1.00 0.00 H ATOM 711 N GLN A 798 -21.554 -13.842 -0.603 1.00 8.82 N ATOM 712 CA GLN A 798 -22.170 -12.616 -1.067 1.00 8.55 C ATOM 713 C GLN A 798 -22.995 -11.974 0.044 1.00 7.29 C ATOM 714 O GLN A 798 -23.125 -10.745 0.089 1.00 8.65 O ATOM 715 CB GLN A 798 -22.984 -12.898 -2.320 1.00 8.68 C ATOM 716 CG GLN A 798 -22.089 -13.263 -3.486 1.00 8.97 C ATOM 717 CD GLN A 798 -22.780 -13.509 -4.831 1.00 10.31 C ATOM 718 OE1 GLN A 798 -22.129 -13.319 -5.901 1.00 12.80 O ATOM 719 NE2 GLN A 798 -24.005 -14.029 -4.805 1.00 10.75 N ATOM 720 HE22 GLN A 798 -24.494 -14.163 -3.897 1.00 0.00 H ATOM 721 HE21 GLN A 798 -24.473 -14.301 -5.693 1.00 0.00 H ATOM 722 H GLN A 798 -21.850 -14.758 -0.997 1.00 0.00 H ATOM 723 N ARG A 799 -23.584 -12.795 0.917 1.00 7.91 N ATOM 724 CA ARG A 799 -24.370 -12.263 2.033 1.00 6.52 C ATOM 725 C ARG A 799 -23.515 -11.552 3.072 1.00 8.25 C ATOM 726 O ARG A 799 -24.026 -10.692 3.769 1.00 8.64 O ATOM 727 CB ARG A 799 -25.232 -13.390 2.595 1.00 6.30 C ATOM 728 CG ARG A 799 -26.307 -12.861 3.546 1.00 8.33 C ATOM 729 CD ARG A 799 -27.284 -13.917 3.984 1.00 8.85 C ATOM 730 NE ARG A 799 -26.731 -14.942 4.851 1.00 7.91 N ATOM 731 CZ ARG A 799 -26.350 -16.133 4.430 1.00 7.32 C ATOM 732 NH1 ARG A 799 -25.913 -17.019 5.309 1.00 9.92 N ATOM 733 NH2 ARG A 799 -26.418 -16.494 3.145 1.00 8.22 N ATOM 734 HE ARG A 799 -26.629 -14.725 5.863 1.00 0.00 H ATOM 735 HH12 ARG A 799 -25.610 -17.961 4.991 1.00 0.00 H ATOM 736 HH11 ARG A 799 -25.873 -16.773 6.319 1.00 0.00 H ATOM 737 HH22 ARG A 799 -26.107 -17.443 2.854 1.00 0.00 H ATOM 738 HH21 ARG A 799 -26.782 -15.826 2.436 1.00 0.00 H ATOM 739 H ARG A 799 -23.484 -13.824 0.803 1.00 0.00 H ATOM 740 N VAL A 800 -22.240 -11.946 3.271 1.00 8.59 N ATOM 741 CA VAL A 800 -21.352 -11.152 4.110 1.00 9.79 C ATOM 742 C VAL A 800 -21.415 -9.688 3.687 1.00 7.81 C ATOM 743 O VAL A 800 -21.559 -8.773 4.500 1.00 8.64 O ATOM 744 CB VAL A 800 -19.912 -11.700 4.020 1.00 7.50 C ATOM 745 CG1 VAL A 800 -18.975 -10.786 4.790 1.00 9.41 C ATOM 746 CG2 VAL A 800 -19.821 -13.071 4.540 1.00 8.69 C ATOM 747 H VAL A 800 -21.890 -12.818 2.825 1.00 0.00 H ATOM 748 N ILE A 801 -21.282 -9.470 2.363 1.00 7.94 N ATOM 749 CA ILE A 801 -21.234 -8.132 1.804 1.00 8.57 C ATOM 750 C ILE A 801 -22.605 -7.460 1.863 1.00 9.05 C ATOM 751 O ILE A 801 -22.738 -6.299 2.264 1.00 8.76 O ATOM 752 CB ILE A 801 -20.712 -8.224 0.353 1.00 8.72 C ATOM 753 CG1 ILE A 801 -19.360 -8.949 0.274 1.00 10.06 C ATOM 754 CG2 ILE A 801 -20.662 -6.849 -0.273 1.00 10.57 C ATOM 755 CD1 ILE A 801 -18.305 -8.372 1.172 1.00 9.61 C ATOM 756 H ILE A 801 -21.212 -10.286 1.723 1.00 0.00 H ATOM 757 N ALA A 802 -23.653 -8.197 1.481 1.00 8.72 N ATOM 758 CA ALA A 802 -25.010 -7.637 1.495 1.00 8.24 C ATOM 759 C ALA A 802 -25.426 -7.221 2.885 1.00 10.74 C ATOM 760 O ALA A 802 -26.032 -6.163 3.065 1.00 10.39 O ATOM 761 CB ALA A 802 -25.966 -8.669 0.933 1.00 9.63 C ATOM 762 H ALA A 802 -23.505 -9.178 1.170 1.00 0.00 H ATOM 763 N ASN A 803 -25.152 -8.064 3.886 1.00 8.95 N ATOM 764 CA ASN A 803 -25.490 -7.687 5.250 1.00 7.69 C ATOM 765 C ASN A 803 -24.776 -6.422 5.672 1.00 9.90 C ATOM 766 O ASN A 803 -25.363 -5.548 6.323 1.00 9.46 O ATOM 767 CB ASN A 803 -25.147 -8.792 6.228 1.00 7.42 C ATOM 768 CG ASN A 803 -26.061 -10.004 6.124 1.00 7.82 C ATOM 769 OD1 ASN A 803 -27.179 -9.960 5.598 1.00 9.56 O ATOM 770 ND2 ASN A 803 -25.616 -11.050 6.739 1.00 8.62 N ATOM 771 HD22 ASN A 803 -24.668 -11.038 7.166 1.00 0.00 H ATOM 772 HD21 ASN A 803 -26.206 -11.904 6.807 1.00 0.00 H ATOM 773 H ASN A 803 -24.701 -8.981 3.691 1.00 0.00 H ATOM 774 N CYS A 804 -23.513 -6.275 5.299 1.00 9.22 N ATOM 775 CA CYS A 804 -22.767 -5.078 5.619 1.00 9.77 C ATOM 776 C CYS A 804 -23.404 -3.846 5.000 1.00 10.10 C ATOM 777 O CYS A 804 -23.577 -2.819 5.656 1.00 10.42 O ATOM 778 CB CYS A 804 -21.333 -5.251 5.114 1.00 8.86 C ATOM 779 SG CYS A 804 -20.254 -3.862 5.566 1.00 10.86 S ATOM 780 H CYS A 804 -23.048 -7.037 4.765 1.00 0.00 H ATOM 781 N ARG A 805 -23.826 -3.956 3.748 1.00 8.94 N ATOM 782 CA ARG A 805 -24.433 -2.813 3.062 1.00 8.42 C ATOM 783 C ARG A 805 -25.840 -2.512 3.596 1.00 10.47 C ATOM 784 O ARG A 805 -26.304 -1.346 3.528 1.00 13.42 O ATOM 785 CB ARG A 805 -24.438 -3.125 1.565 1.00 10.30 C ATOM 786 CG ARG A 805 -23.069 -3.061 0.957 1.00 10.15 C ATOM 787 CD ARG A 805 -23.099 -3.313 -0.546 1.00 11.48 C ATOM 788 NE ARG A 805 -21.751 -3.124 -1.081 1.00 9.92 N ATOM 789 CZ ARG A 805 -21.219 -3.813 -2.099 1.00 9.98 C ATOM 790 NH1 ARG A 805 -21.860 -4.776 -2.721 1.00 9.33 N ATOM 791 NH2 ARG A 805 -19.961 -3.530 -2.447 1.00 11.09 N ATOM 792 HE ARG A 805 -21.158 -2.396 -0.635 1.00 0.00 H ATOM 793 HH12 ARG A 805 -21.403 -5.282 -3.507 1.00 0.00 H ATOM 794 HH11 ARG A 805 -22.824 -5.033 -2.428 1.00 0.00 H ATOM 795 HH22 ARG A 805 -19.511 -4.042 -3.232 1.00 0.00 H ATOM 796 HH21 ARG A 805 -19.431 -2.797 -1.933 1.00 0.00 H ATOM 797 H ARG A 805 -23.725 -4.862 3.248 1.00 0.00 H ATOM 798 N GLU A 806 -26.533 -3.517 4.117 1.00 9.94 N ATOM 799 CA GLU A 806 -27.866 -3.283 4.682 1.00 8.83 C ATOM 800 C GLU A 806 -27.766 -2.627 6.048 1.00 9.98 C ATOM 801 O GLU A 806 -28.563 -1.718 6.360 1.00 12.63 O ATOM 802 CB GLU A 806 -28.687 -4.581 4.777 1.00 13.54 C ATOM 803 CG GLU A 806 -30.099 -4.365 5.313 1.00 15.61 C ATOM 804 CD GLU A 806 -30.985 -3.354 4.535 1.00 26.13 C ATOM 805 OE1 GLU A 806 -30.757 -3.092 3.337 1.00 24.59 O ATOM 806 OE2 GLU A 806 -31.934 -2.748 5.135 1.00 23.08 O ATOM 807 H GLU A 806 -26.129 -4.475 4.125 1.00 0.00 H ATOM 808 N TYR A 807 -26.809 -3.070 6.875 1.00 10.71 N ATOM 809 CA TYR A 807 -26.745 -2.609 8.248 1.00 11.01 C ATOM 810 C TYR A 807 -26.081 -1.250 8.389 1.00 13.09 C ATOM 811 O TYR A 807 -26.527 -0.422 9.204 1.00 13.16 O ATOM 812 CB TYR A 807 -26.027 -3.609 9.151 1.00 9.34 C ATOM 813 CG TYR A 807 -26.168 -3.257 10.604 1.00 9.71 C ATOM 814 CD1 TYR A 807 -27.339 -3.476 11.302 1.00 11.15 C ATOM 815 CD2 TYR A 807 -25.129 -2.625 11.295 1.00 11.28 C ATOM 816 CE1 TYR A 807 -27.434 -3.104 12.624 1.00 10.84 C ATOM 817 CE2 TYR A 807 -25.254 -2.264 12.612 1.00 11.96 C ATOM 818 CZ TYR A 807 -26.439 -2.455 13.243 1.00 12.40 C ATOM 819 OH TYR A 807 -26.534 -2.031 14.582 1.00 14.73 O ATOM 820 HH TYR A 807 -27.442 -2.225 14.925 1.00 0.00 H ATOM 821 H TYR A 807 -26.105 -3.752 6.528 1.00 0.00 H ATOM 822 N ASN A 808 -24.997 -0.995 7.641 1.00 9.74 N ATOM 823 CA ASN A 808 -24.137 0.148 7.869 1.00 10.76 C ATOM 824 C ASN A 808 -24.433 1.284 6.917 1.00 10.72 C ATOM 825 O ASN A 808 -25.020 1.093 5.840 1.00 12.96 O ATOM 826 CB ASN A 808 -22.665 -0.282 7.731 1.00 13.03 C ATOM 827 CG ASN A 808 -22.286 -1.298 8.738 1.00 13.78 C ATOM 828 OD1 ASN A 808 -22.349 -1.050 9.952 1.00 11.66 O ATOM 829 ND2 ASN A 808 -21.873 -2.458 8.296 1.00 10.99 N ATOM 830 HD22 ASN A 808 -21.830 -2.639 7.273 1.00 0.00 H ATOM 831 HD21 ASN A 808 -21.588 -3.199 8.968 1.00 0.00 H ATOM 832 H ASN A 808 -24.764 -1.646 6.864 1.00 0.00 H ATOM 833 N PRO A 809 -24.031 2.497 7.270 1.00 10.42 N ATOM 834 CA PRO A 809 -24.219 3.622 6.345 1.00 12.64 C ATOM 835 C PRO A 809 -23.450 3.369 5.073 1.00 13.18 C ATOM 836 O PRO A 809 -22.371 2.761 5.112 1.00 13.21 O ATOM 837 CB PRO A 809 -23.640 4.815 7.114 1.00 14.98 C ATOM 838 CG PRO A 809 -23.730 4.377 8.572 1.00 14.28 C ATOM 839 CD PRO A 809 -23.428 2.893 8.538 1.00 14.32 C ATOM 840 N PRO A 810 -23.979 3.801 3.939 1.00 12.03 N ATOM 841 CA PRO A 810 -23.328 3.467 2.660 1.00 14.96 C ATOM 842 C PRO A 810 -21.943 4.059 2.524 1.00 12.82 C ATOM 843 O PRO A 810 -21.083 3.487 1.837 1.00 13.30 O ATOM 844 CB PRO A 810 -24.319 3.985 1.611 1.00 15.51 C ATOM 845 CG PRO A 810 -25.104 5.012 2.323 1.00 17.31 C ATOM 846 CD PRO A 810 -25.270 4.477 3.734 1.00 14.12 C ATOM 847 N ASP A 811 -21.658 5.179 3.184 1.00 14.34 N ATOM 848 CA ASP A 811 -20.335 5.785 3.219 1.00 13.96 C ATOM 849 C ASP A 811 -19.743 5.482 4.588 1.00 19.94 C ATOM 850 O ASP A 811 -19.993 6.200 5.568 1.00 16.84 O ATOM 851 CB ASP A 811 -20.461 7.296 2.980 1.00 13.79 C ATOM 852 CG ASP A 811 -19.132 8.016 2.867 1.00 19.19 C ATOM 853 OD1 ASP A 811 -18.046 7.408 2.782 1.00 17.74 O ATOM 854 OD2 ASP A 811 -19.172 9.288 2.855 1.00 19.63 O ATOM 855 H ASP A 811 -22.426 5.649 3.705 1.00 0.00 H ATOM 856 N SER A 812 -19.029 4.382 4.708 1.00 13.68 N ATOM 857 CA SER A 812 -18.509 3.969 6.009 1.00 12.96 C ATOM 858 C SER A 812 -17.302 3.072 5.798 1.00 13.45 C ATOM 859 O SER A 812 -17.132 2.455 4.738 1.00 13.05 O ATOM 860 CB SER A 812 -19.563 3.256 6.848 1.00 15.64 C ATOM 861 OG SER A 812 -19.925 1.993 6.294 1.00 14.09 O ATOM 862 HG SER A 812 -20.292 2.126 5.384 1.00 0.00 H ATOM 863 H SER A 812 -18.833 3.801 3.868 1.00 0.00 H ATOM 864 N GLU A 813 -16.458 3.001 6.821 1.00 14.57 N ATOM 865 CA GLU A 813 -15.292 2.132 6.742 1.00 14.23 C ATOM 866 C GLU A 813 -15.691 0.681 6.495 1.00 12.73 C ATOM 867 O GLU A 813 -15.041 -0.024 5.701 1.00 12.55 O ATOM 868 CB GLU A 813 -14.463 2.265 8.018 1.00 15.58 C ATOM 869 CG GLU A 813 -13.148 1.518 7.946 1.00 17.88 C ATOM 870 CD GLU A 813 -12.190 2.069 6.893 1.00 22.72 C ATOM 871 OE1 GLU A 813 -12.227 3.274 6.593 1.00 31.13 O ATOM 872 OE2 GLU A 813 -11.399 1.281 6.340 1.00 36.43 O ATOM 873 H GLU A 813 -16.630 3.565 7.678 1.00 0.00 H ATOM 874 N TYR A 814 -16.746 0.197 7.160 1.00 12.25 N ATOM 875 CA TYR A 814 -17.143 -1.203 6.964 1.00 12.82 C ATOM 876 C TYR A 814 -17.568 -1.460 5.516 1.00 10.31 C ATOM 877 O TYR A 814 -17.170 -2.452 4.910 1.00 11.91 O ATOM 878 CB TYR A 814 -18.271 -1.576 7.922 1.00 9.90 C ATOM 879 CG TYR A 814 -17.907 -1.583 9.390 1.00 12.73 C ATOM 880 CD1 TYR A 814 -16.797 -2.205 9.859 1.00 16.93 C ATOM 881 CD2 TYR A 814 -18.704 -0.900 10.268 1.00 20.39 C ATOM 882 CE1 TYR A 814 -16.495 -2.181 11.234 1.00 19.79 C ATOM 883 CE2 TYR A 814 -18.395 -0.826 11.584 1.00 20.80 C ATOM 884 CZ TYR A 814 -17.341 -1.517 12.054 1.00 17.61 C ATOM 885 OH TYR A 814 -17.058 -1.435 13.425 1.00 25.79 O ATOM 886 HH TYR A 814 -17.835 -1.767 13.942 1.00 0.00 H ATOM 887 H TYR A 814 -17.281 0.807 7.811 1.00 0.00 H ATOM 888 N CYS A 815 -18.347 -0.533 4.926 1.00 11.22 N ATOM 889 CA CYS A 815 -18.732 -0.646 3.521 1.00 10.26 C ATOM 890 C CYS A 815 -17.537 -0.490 2.594 1.00 10.59 C ATOM 891 O CYS A 815 -17.465 -1.222 1.579 1.00 10.79 O ATOM 892 CB CYS A 815 -19.837 0.345 3.207 1.00 11.19 C ATOM 893 SG CYS A 815 -21.415 -0.242 3.822 1.00 13.28 S ATOM 894 H CYS A 815 -18.681 0.280 5.482 1.00 0.00 H ATOM 895 N ARG A 816 -16.544 0.355 2.933 1.00 11.43 N ATOM 896 CA ARG A 816 -15.331 0.396 2.104 1.00 10.59 C ATOM 897 C ARG A 816 -14.612 -0.933 2.130 1.00 10.88 C ATOM 898 O ARG A 816 -14.107 -1.414 1.103 1.00 12.43 O ATOM 899 CB ARG A 816 -14.376 1.509 2.541 1.00 11.44 C ATOM 900 CG ARG A 816 -14.960 2.879 2.204 1.00 14.10 C ATOM 901 CD ARG A 816 -13.962 3.963 2.347 1.00 16.17 C ATOM 902 NE ARG A 816 -13.655 4.247 3.739 1.00 16.62 N ATOM 903 CZ ARG A 816 -14.391 5.053 4.506 1.00 15.18 C ATOM 904 NH1 ARG A 816 -15.490 5.589 4.016 1.00 19.09 N ATOM 905 NH2 ARG A 816 -14.039 5.286 5.786 1.00 23.55 N ATOM 906 HE ARG A 816 -12.817 3.798 4.160 1.00 0.00 H ATOM 907 HH12 ARG A 816 -16.070 6.218 4.607 1.00 0.00 H ATOM 908 HH11 ARG A 816 -15.778 5.383 3.038 1.00 0.00 H ATOM 909 HH22 ARG A 816 -14.618 5.916 6.378 1.00 0.00 H ATOM 910 HH21 ARG A 816 -13.189 4.836 6.182 1.00 0.00 H ATOM 911 H ARG A 816 -16.634 0.968 3.768 1.00 0.00 H ATOM 912 N CYS A 817 -14.481 -1.519 3.302 1.00 11.16 N ATOM 913 CA CYS A 817 -13.841 -2.823 3.389 1.00 8.52 C ATOM 914 C CYS A 817 -14.629 -3.876 2.628 1.00 11.86 C ATOM 915 O CYS A 817 -14.062 -4.739 1.949 1.00 9.97 O ATOM 916 CB CYS A 817 -13.717 -3.290 4.828 1.00 10.78 C ATOM 917 SG CYS A 817 -12.535 -2.319 5.792 1.00 13.74 S ATOM 918 H CYS A 817 -14.833 -1.052 4.162 1.00 0.00 H ATOM 919 N ALA A 818 -15.947 -3.850 2.770 1.00 10.75 N ATOM 920 CA ALA A 818 -16.784 -4.805 2.048 1.00 8.30 C ATOM 921 C ALA A 818 -16.570 -4.696 0.549 1.00 10.22 C ATOM 922 O ALA A 818 -16.410 -5.720 -0.125 1.00 10.36 O ATOM 923 CB ALA A 818 -18.256 -4.581 2.387 1.00 9.12 C ATOM 924 H ALA A 818 -16.387 -3.147 3.398 1.00 0.00 H ATOM 925 N SER A 819 -16.546 -3.457 0.013 1.00 9.36 N ATOM 926 CA SER A 819 -16.326 -3.274 -1.428 1.00 9.74 C ATOM 927 C SER A 819 -14.949 -3.778 -1.858 1.00 8.77 C ATOM 928 O SER A 819 -14.817 -4.417 -2.907 1.00 10.96 O ATOM 929 CB SER A 819 -16.503 -1.816 -1.805 1.00 13.06 C ATOM 930 OG SER A 819 -17.870 -1.506 -1.695 1.00 14.70 O ATOM 931 HG SER A 819 -18.168 -1.659 -0.763 1.00 0.00 H ATOM 932 H SER A 819 -16.684 -2.627 0.624 1.00 0.00 H ATOM 933 N ALA A 820 -13.946 -3.575 -1.014 1.00 8.60 N ATOM 934 CA ALA A 820 -12.595 -4.019 -1.373 1.00 9.03 C ATOM 935 C ALA A 820 -12.517 -5.530 -1.331 1.00 11.08 C ATOM 936 O ALA A 820 -11.901 -6.161 -2.199 1.00 13.24 O ATOM 937 CB ALA A 820 -11.550 -3.373 -0.441 1.00 11.83 C ATOM 938 H ALA A 820 -14.117 -3.104 -0.103 1.00 0.00 H ATOM 939 N LEU A 821 -13.121 -6.134 -0.322 1.00 10.24 N ATOM 940 CA LEU A 821 -13.107 -7.588 -0.230 1.00 9.59 C ATOM 941 C LEU A 821 -13.877 -8.216 -1.389 1.00 8.99 C ATOM 942 O LEU A 821 -13.449 -9.213 -1.967 1.00 9.81 O ATOM 943 CB LEU A 821 -13.679 -8.058 1.110 1.00 10.90 C ATOM 944 CG LEU A 821 -13.498 -9.568 1.364 1.00 8.06 C ATOM 945 CD1 LEU A 821 -12.029 -9.880 1.531 1.00 12.69 C ATOM 946 CD2 LEU A 821 -14.308 -9.968 2.599 1.00 12.15 C ATOM 947 H LEU A 821 -13.606 -5.571 0.406 1.00 0.00 H ATOM 948 N GLU A 822 -15.024 -7.640 -1.722 1.00 8.20 N ATOM 949 CA GLU A 822 -15.827 -8.091 -2.834 1.00 8.03 C ATOM 950 C GLU A 822 -15.060 -8.053 -4.140 1.00 8.08 C ATOM 951 O GLU A 822 -15.142 -9.013 -4.938 1.00 10.23 O ATOM 952 CB GLU A 822 -17.074 -7.232 -2.879 1.00 10.36 C ATOM 953 CG GLU A 822 -18.030 -7.606 -3.987 1.00 8.85 C ATOM 954 CD GLU A 822 -19.168 -6.599 -4.087 1.00 11.09 C ATOM 955 OE1 GLU A 822 -18.887 -5.400 -4.303 1.00 11.96 O ATOM 956 OE2 GLU A 822 -20.349 -6.991 -4.057 1.00 11.26 O ATOM 957 H GLU A 822 -15.358 -6.831 -1.160 1.00 0.00 H ATOM 958 N LYS A 823 -14.381 -6.943 -4.399 1.00 9.79 N ATOM 959 CA LYS A 823 -13.588 -6.824 -5.623 1.00 11.46 C ATOM 960 C LYS A 823 -12.586 -7.968 -5.696 1.00 10.39 C ATOM 961 O LYS A 823 -12.473 -8.668 -6.719 1.00 10.66 O ATOM 962 CB LYS A 823 -12.924 -5.472 -5.671 1.00 10.79 C ATOM 963 CG LYS A 823 -12.068 -5.285 -6.920 1.00 15.32 C ATOM 964 CD LYS A 823 -11.627 -3.814 -7.006 1.00 13.95 C ATOM 965 CE LYS A 823 -10.588 -3.636 -8.073 1.00 37.42 C ATOM 966 NZ LYS A 823 -10.058 -2.248 -8.092 1.00 43.15 N ATOM 967 HZ1 LYS A 823 -10.837 -1.583 -8.276 1.00 0.00 H ATOM 968 HZ2 LYS A 823 -9.625 -2.031 -7.171 1.00 0.00 H ATOM 969 HZ3 LYS A 823 -9.342 -2.162 -8.842 1.00 0.00 H ATOM 970 H LYS A 823 -14.413 -6.151 -3.726 1.00 0.00 H ATOM 971 N PHE A 824 -11.873 -8.179 -4.600 1.00 8.95 N ATOM 972 CA PHE A 824 -10.907 -9.278 -4.546 1.00 9.77 C ATOM 973 C PHE A 824 -11.563 -10.618 -4.783 1.00 9.95 C ATOM 974 O PHE A 824 -11.077 -11.434 -5.587 1.00 10.56 O ATOM 975 CB PHE A 824 -10.187 -9.253 -3.219 1.00 10.96 C ATOM 976 CG PHE A 824 -9.201 -10.376 -3.026 1.00 10.34 C ATOM 977 CD1 PHE A 824 -8.053 -10.460 -3.795 1.00 11.76 C ATOM 978 CD2 PHE A 824 -9.434 -11.375 -2.085 1.00 11.66 C ATOM 979 CE1 PHE A 824 -7.155 -11.533 -3.577 1.00 11.16 C ATOM 980 CE2 PHE A 824 -8.499 -12.414 -1.869 1.00 10.97 C ATOM 981 CZ PHE A 824 -7.400 -12.475 -2.624 1.00 10.59 C ATOM 982 H PHE A 824 -12.000 -7.561 -3.773 1.00 0.00 H ATOM 983 N PHE A 825 -12.645 -10.929 -4.063 1.00 8.26 N ATOM 984 CA PHE A 825 -13.183 -12.269 -4.196 1.00 9.23 C ATOM 985 C PHE A 825 -13.862 -12.501 -5.534 1.00 7.08 C ATOM 986 O PHE A 825 -13.889 -13.651 -5.975 1.00 10.59 O ATOM 987 CB PHE A 825 -14.005 -12.696 -2.960 1.00 11.23 C ATOM 988 CG PHE A 825 -15.398 -12.107 -2.778 1.00 10.27 C ATOM 989 CD1 PHE A 825 -16.377 -12.225 -3.733 1.00 11.47 C ATOM 990 CD2 PHE A 825 -15.773 -11.637 -1.530 1.00 12.67 C ATOM 991 CE1 PHE A 825 -17.665 -11.732 -3.484 1.00 11.81 C ATOM 992 CE2 PHE A 825 -17.072 -11.204 -1.283 1.00 10.35 C ATOM 993 CZ PHE A 825 -18.012 -11.243 -2.266 1.00 11.38 C ATOM 994 H PHE A 825 -13.086 -10.233 -3.428 1.00 0.00 H ATOM 995 N TYR A 826 -14.297 -11.463 -6.246 1.00 10.14 N ATOM 996 CA TYR A 826 -14.754 -11.714 -7.597 1.00 9.95 C ATOM 997 C TYR A 826 -13.576 -12.007 -8.518 1.00 9.80 C ATOM 998 O TYR A 826 -13.695 -12.839 -9.414 1.00 11.40 O ATOM 999 CB TYR A 826 -15.647 -10.607 -8.127 1.00 12.48 C ATOM 1000 CG TYR A 826 -17.071 -10.709 -7.590 1.00 10.16 C ATOM 1001 CD1 TYR A 826 -17.770 -11.900 -7.568 1.00 11.28 C ATOM 1002 CD2 TYR A 826 -17.702 -9.621 -7.073 1.00 8.86 C ATOM 1003 CE1 TYR A 826 -19.044 -11.999 -7.037 1.00 11.75 C ATOM 1004 CE2 TYR A 826 -18.980 -9.717 -6.550 1.00 10.23 C ATOM 1005 CZ TYR A 826 -19.630 -10.886 -6.529 1.00 10.96 C ATOM 1006 OH TYR A 826 -20.890 -10.994 -5.975 1.00 12.36 O ATOM 1007 HH TYR A 826 -21.204 -11.930 -6.053 1.00 0.00 H ATOM 1008 H TYR A 826 -14.308 -10.504 -5.845 1.00 0.00 H ATOM 1009 N PHE A 827 -12.423 -11.343 -8.310 1.00 9.83 N ATOM 1010 CA PHE A 827 -11.233 -11.754 -9.070 1.00 12.52 C ATOM 1011 C PHE A 827 -10.941 -13.226 -8.808 1.00 11.36 C ATOM 1012 O PHE A 827 -10.621 -13.976 -9.734 1.00 11.19 O ATOM 1013 CB PHE A 827 -9.988 -10.947 -8.700 1.00 12.84 C ATOM 1014 CG PHE A 827 -9.843 -9.611 -9.390 1.00 18.20 C ATOM 1015 CD1 PHE A 827 -9.800 -9.515 -10.769 1.00 21.22 C ATOM 1016 CD2 PHE A 827 -9.672 -8.457 -8.639 1.00 18.36 C ATOM 1017 CE1 PHE A 827 -9.628 -8.266 -11.364 1.00 25.22 C ATOM 1018 CE2 PHE A 827 -9.508 -7.222 -9.232 1.00 21.32 C ATOM 1019 CZ PHE A 827 -9.532 -7.133 -10.580 1.00 20.19 C ATOM 1020 H PHE A 827 -12.375 -10.559 -7.629 1.00 0.00 H ATOM 1021 N LYS A 828 -11.006 -13.648 -7.544 1.00 9.45 N ATOM 1022 CA LYS A 828 -10.669 -15.029 -7.226 1.00 11.48 C ATOM 1023 C LYS A 828 -11.734 -16.011 -7.724 1.00 11.07 C ATOM 1024 O LYS A 828 -11.407 -17.100 -8.212 1.00 11.25 O ATOM 1025 CB LYS A 828 -10.461 -15.204 -5.726 1.00 9.93 C ATOM 1026 CG LYS A 828 -9.336 -14.426 -5.122 1.00 9.70 C ATOM 1027 CD LYS A 828 -7.959 -14.641 -5.789 1.00 13.46 C ATOM 1028 CE LYS A 828 -7.649 -13.540 -6.763 1.00 17.17 C ATOM 1029 NZ LYS A 828 -6.302 -13.758 -7.415 1.00 27.40 N ATOM 1030 HZ1 LYS A 828 -5.563 -13.775 -6.684 1.00 0.00 H ATOM 1031 HZ2 LYS A 828 -6.308 -14.664 -7.925 1.00 0.00 H ATOM 1032 HZ3 LYS A 828 -6.112 -12.984 -8.083 1.00 0.00 H ATOM 1033 H LYS A 828 -11.296 -12.994 -6.789 1.00 0.00 H ATOM 1034 N LEU A 829 -13.003 -15.631 -7.673 1.00 9.37 N ATOM 1035 CA LEU A 829 -14.036 -16.530 -8.173 1.00 11.00 C ATOM 1036 C LEU A 829 -13.871 -16.726 -9.670 1.00 10.50 C ATOM 1037 O LEU A 829 -14.030 -17.863 -10.169 1.00 13.49 O ATOM 1038 CB LEU A 829 -15.437 -15.984 -7.818 1.00 9.54 C ATOM 1039 CG LEU A 829 -15.945 -16.161 -6.411 1.00 11.89 C ATOM 1040 CD1 LEU A 829 -17.137 -15.241 -6.115 1.00 13.32 C ATOM 1041 CD2 LEU A 829 -16.268 -17.591 -6.077 1.00 12.47 C ATOM 1042 H LEU A 829 -13.259 -14.702 -7.281 1.00 0.00 H ATOM 1043 N LYS A 830 -13.481 -15.696 -10.386 1.00 10.08 N ATOM 1044 CA LYS A 830 -13.276 -15.817 -11.832 1.00 11.41 C ATOM 1045 C LYS A 830 -12.057 -16.664 -12.113 1.00 12.76 C ATOM 1046 O LYS A 830 -12.085 -17.515 -13.010 1.00 13.19 O ATOM 1047 CB LYS A 830 -13.137 -14.451 -12.452 1.00 13.45 C ATOM 1048 CG LYS A 830 -14.499 -13.729 -12.469 1.00 19.12 C ATOM 1049 CD LYS A 830 -14.364 -12.294 -12.880 1.00 20.71 C ATOM 1050 CE LYS A 830 -15.706 -11.598 -13.152 1.00 33.16 C ATOM 1051 NZ LYS A 830 -15.493 -10.204 -13.702 1.00 33.28 N ATOM 1052 HZ1 LYS A 830 -14.957 -9.639 -13.013 1.00 0.00 H ATOM 1053 HZ2 LYS A 830 -14.960 -10.262 -14.593 1.00 0.00 H ATOM 1054 HZ3 LYS A 830 -16.416 -9.757 -13.877 1.00 0.00 H ATOM 1055 H LYS A 830 -13.315 -14.781 -9.920 1.00 0.00 H ATOM 1056 N GLU A 831 -10.972 -16.423 -11.354 1.00 11.43 N ATOM 1057 CA GLU A 831 -9.746 -17.222 -11.512 1.00 10.68 C ATOM 1058 C GLU A 831 -10.022 -18.704 -11.356 1.00 13.10 C ATOM 1059 O GLU A 831 -9.442 -19.529 -12.082 1.00 14.81 O ATOM 1060 CB GLU A 831 -8.671 -16.753 -10.503 1.00 13.11 C ATOM 1061 CG GLU A 831 -7.340 -17.549 -10.479 1.00 11.82 C ATOM 1062 CD GLU A 831 -6.435 -17.198 -9.340 1.00 18.69 C ATOM 1063 OE1 GLU A 831 -6.867 -16.438 -8.442 1.00 18.65 O ATOM 1064 OE2 GLU A 831 -5.282 -17.657 -9.399 1.00 16.14 O ATOM 1065 H GLU A 831 -11.000 -15.662 -10.646 1.00 0.00 H ATOM 1066 N GLY A 832 -10.878 -19.068 -10.399 1.00 11.22 N ATOM 1067 CA GLY A 832 -11.221 -20.421 -10.085 1.00 8.68 C ATOM 1068 C GLY A 832 -12.291 -21.043 -10.933 1.00 11.88 C ATOM 1069 O GLY A 832 -12.654 -22.189 -10.655 1.00 13.04 O ATOM 1070 H GLY A 832 -11.328 -18.314 -9.842 1.00 0.00 H ATOM 1071 N GLY A 833 -12.813 -20.318 -11.915 1.00 12.62 N ATOM 1072 CA GLY A 833 -13.883 -20.860 -12.736 1.00 15.11 C ATOM 1073 C GLY A 833 -15.201 -21.027 -12.037 1.00 17.87 C ATOM 1074 O GLY A 833 -16.013 -21.877 -12.440 1.00 19.13 O ATOM 1075 H GLY A 833 -12.455 -19.359 -12.098 1.00 0.00 H ATOM 1076 N LEU A 834 -15.433 -20.286 -10.971 1.00 14.42 N ATOM 1077 CA LEU A 834 -16.601 -20.503 -10.147 1.00 14.21 C ATOM 1078 C LEU A 834 -17.732 -19.575 -10.563 1.00 19.72 C ATOM 1079 O LEU A 834 -18.871 -19.805 -10.159 1.00 28.07 O ATOM 1080 CB LEU A 834 -16.228 -20.334 -8.682 1.00 16.05 C ATOM 1081 CG LEU A 834 -15.146 -21.280 -8.145 1.00 15.47 C ATOM 1082 CD1 LEU A 834 -14.651 -20.912 -6.798 1.00 18.76 C ATOM 1083 CD2 LEU A 834 -15.770 -22.666 -8.082 1.00 20.06 C ATOM 1084 H LEU A 834 -14.763 -19.531 -10.718 1.00 0.00 H ATOM 1085 N ILE A 835 -17.409 -18.512 -11.290 1.00 14.74 N ATOM 1086 CA ILE A 835 -18.370 -17.697 -12.028 1.00 21.85 C ATOM 1087 C ILE A 835 -17.751 -17.395 -13.390 1.00 31.40 C ATOM 1088 O ILE A 835 -16.546 -17.559 -13.601 1.00 26.26 O ATOM 1089 CB ILE A 835 -18.698 -16.408 -11.261 1.00 21.94 C ATOM 1090 CG1 ILE A 835 -17.456 -15.556 -11.149 1.00 17.87 C ATOM 1091 CG2 ILE A 835 -19.256 -16.747 -9.869 1.00 26.47 C ATOM 1092 CD1 ILE A 835 -17.659 -14.219 -10.415 1.00 27.99 C ATOM 1093 H ILE A 835 -16.406 -18.242 -11.337 1.00 0.00 H ATOM 1094 N ASP A 836 -18.569 -16.918 -14.318 1.00 37.06 N ATOM 1095 CA ASP A 836 -18.061 -16.584 -15.655 1.00 30.32 C ATOM 1096 C ASP A 836 -17.160 -15.341 -15.641 1.00 32.46 C ATOM 1097 O ASP A 836 -17.394 -14.443 -14.813 1.00 30.96 O ATOM 1098 CB ASP A 836 -19.245 -16.377 -16.615 1.00 42.03 C ATOM 1099 CG ASP A 836 -19.973 -17.686 -16.948 1.00 42.79 C ATOM 1100 OD1 ASP A 836 -19.319 -18.736 -16.985 1.00 41.64 O ATOM 1101 OD2 ASP A 836 -21.204 -17.670 -17.156 1.00 49.83 O ATOM 1102 H ASP A 836 -19.576 -16.780 -14.098 1.00 0.00 H TER 1103 ASP A 836 HETATM 1104 O HOH 1 -14.827 -12.373 17.961 1.00 30.30 O HETATM 1105 O HOH 2 -14.793 -10.314 -16.012 1.00 37.78 O HETATM 1106 O HOH 3 -11.369 2.740 4.372 1.00 30.36 O HETATM 1107 O HOH 4 -32.414 -3.065 7.550 1.00 25.71 O HETATM 1108 O HOH 5 -11.326 -33.819 -9.693 1.00 27.51 O HETATM 1109 O HOH 6 -14.781 -36.189 -5.624 1.00 33.03 O HETATM 1110 O HOH 7 -9.189 -1.389 -5.859 1.00 34.04 O HETATM 1111 O HOH 8 -29.167 -3.051 1.337 1.00 26.72 O HETATM 1112 O HOH 9 -27.692 -21.707 3.259 1.00 13.00 O HETATM 1113 O HOH 10 -25.293 0.983 3.025 1.00 17.36 O HETATM 1114 O HOH 11 -18.516 3.123 1.691 1.00 17.27 O HETATM 1115 O HOH 12 -10.100 -28.963 5.681 1.00 23.47 O HETATM 1116 O HOH 13 -22.528 -6.573 8.568 1.00 10.54 O HETATM 1117 O HOH 14 -18.341 0.345 14.911 1.00 27.46 O HETATM 1118 O HOH 15 -32.218 -5.995 7.524 1.00 27.70 O HETATM 1119 O HOH 16 -13.078 -9.103 -13.559 1.00 32.93 O HETATM 1120 O HOH 17 -8.337 -28.929 -5.703 1.00 22.78 O HETATM 1121 O HOH 18 -23.418 -10.688 8.734 1.00 11.40 O HETATM 1122 O HOH 19 -7.727 -3.436 0.780 1.00 29.66 O HETATM 1123 O HOH 20 -17.157 -3.371 15.280 1.00 18.82 O HETATM 1124 O HOH 21 -16.023 -23.680 -14.427 1.00 23.42 O HETATM 1125 O HOH 22 -16.893 5.315 1.561 1.00 16.29 O HETATM 1126 O HOH 23 -21.854 -6.107 -6.099 1.00 13.03 O HETATM 1127 O HOH 24 -22.385 -14.269 11.759 1.00 14.03 O HETATM 1128 O HOH 25 -22.437 -18.232 13.421 1.00 27.30 O HETATM 1129 O HOH 26 -30.378 -12.741 13.396 1.00 11.96 O HETATM 1130 O HOH 27 -4.997 -16.957 -6.440 1.00 11.88 O HETATM 1131 O HOH 28 -25.823 -20.563 1.660 1.00 13.43 O HETATM 1132 O HOH 29 -24.893 -0.422 16.060 1.00 19.68 O HETATM 1133 O HOH 30 -9.596 -13.092 -12.108 1.00 22.86 O HETATM 1134 O HOH 31 -17.885 -28.679 -0.055 1.00 12.59 O HETATM 1135 O HOH 32 -15.054 -21.409 18.036 1.00 35.77 O HETATM 1136 O HOH 33 -18.449 -9.938 11.001 1.00 13.64 O HETATM 1137 O HOH 34 -26.870 -16.750 7.977 1.00 10.81 O HETATM 1138 O HOH 35 -22.643 -32.927 3.360 1.00 29.00 O HETATM 1139 O HOH 36 -21.178 -9.566 -3.593 1.00 11.36 O HETATM 1140 O HOH 37 -16.595 -4.003 -4.971 1.00 14.26 O HETATM 1141 O HOH 38 -31.200 -0.365 13.243 1.00 17.90 O HETATM 1142 O HOH 39 -19.728 -10.424 8.605 1.00 12.31 O HETATM 1143 O HOH 40 -28.911 -8.299 4.237 1.00 21.03 O HETATM 1144 O HOH 41 -26.584 -14.252 -0.925 1.00 12.65 O HETATM 1145 O HOH 42 -18.144 -18.002 16.539 1.00 35.66 O HETATM 1146 O HOH 43 -21.137 -8.468 7.213 1.00 13.83 O HETATM 1147 O HOH 44 -21.072 -22.761 12.729 1.00 25.07 O HETATM 1148 O HOH 45 -22.163 1.138 11.637 1.00 23.15 O HETATM 1149 O HOH 46 -18.647 -32.811 0.795 1.00 31.89 O HETATM 1150 O HOH 47 -22.402 -0.728 20.954 1.00 40.81 O HETATM 1151 O HOH 48 -9.693 -4.987 -3.414 1.00 20.08 O HETATM 1152 O HOH 49 -23.553 -9.210 -2.195 1.00 10.50 O HETATM 1153 O HOH 50 -12.130 -16.342 10.784 1.00 18.70 O HETATM 1154 O HOH 51 -9.091 -26.744 -6.993 1.00 12.94 O HETATM 1155 O HOH 52 -14.180 -18.228 -14.924 1.00 30.42 O HETATM 1156 O HOH 53 -17.040 -27.490 11.289 1.00 14.86 O HETATM 1157 O HOH 54 -30.518 -1.544 8.357 1.00 34.16 O HETATM 1158 O HOH 55 -18.809 -19.050 14.094 1.00 22.20 O HETATM 1159 O HOH 56 -14.530 -8.434 18.918 1.00 34.51 O HETATM 1160 O HOH 57 -22.560 -0.108 15.952 1.00 24.97 O HETATM 1161 O HOH 58 -6.405 -6.447 8.153 1.00 26.97 O HETATM 1162 O HOH 59 -22.129 -12.742 18.404 1.00 31.79 O HETATM 1163 O HOH 60 -29.167 -0.392 10.172 1.00 29.80 O HETATM 1164 O HOH 61 -13.432 0.264 -1.055 1.00 14.34 O HETATM 1165 O HOH 62 -13.889 -22.509 14.060 1.00 22.98 O HETATM 1166 O HOH 63 -27.579 -5.174 0.924 1.00 16.50 O HETATM 1167 O HOH 64 -25.422 -14.609 -7.180 1.00 25.93 O HETATM 1168 O HOH 65 -20.175 -1.085 0.096 1.00 16.95 O HETATM 1169 O HOH 66 -26.028 -28.592 3.467 1.00 30.23 O HETATM 1170 O HOH 67 -17.519 -12.986 17.574 1.00 17.73 O HETATM 1171 O HOH 68 -10.404 -9.267 12.438 1.00 28.46 O HETATM 1172 O HOH 69 -22.844 -11.059 21.045 1.00 26.96 O HETATM 1173 O HOH 70 -28.859 -8.120 18.325 1.00 17.97 O HETATM 1174 O HOH 71 -9.895 -22.203 -12.953 1.00 14.44 O HETATM 1175 O HOH 72 -28.264 -6.214 22.661 1.00 30.13 O HETATM 1176 O HOH 73 -20.588 -31.667 -2.899 1.00 20.49 O HETATM 1177 O HOH 74 -18.640 -8.665 23.930 1.00 34.87 O HETATM 1178 O HOH 75 -17.245 -4.476 21.886 1.00 26.52 O HETATM 1179 O HOH 76 -29.624 -11.326 6.228 1.00 12.34 O HETATM 1180 O HOH 77 -6.264 -7.143 -3.439 1.00 22.14 O HETATM 1181 O HOH 78 -5.325 -21.076 -1.023 1.00 11.01 O HETATM 1182 O HOH 79 -32.427 -2.001 1.260 1.00 38.43 O HETATM 1183 O HOH 80 -14.044 -9.801 12.573 1.00 12.42 O HETATM 1184 O HOH 81 -22.215 -11.555 12.240 1.00 19.75 O HETATM 1185 O HOH 82 -26.568 -14.592 -3.605 1.00 19.84 O HETATM 1186 O HOH 83 -18.039 -31.159 -1.311 1.00 18.10 O HETATM 1187 O HOH 84 -6.781 -19.411 -13.194 1.00 32.45 O HETATM 1188 O HOH 85 -18.596 -27.933 2.571 1.00 11.27 O HETATM 1189 O HOH 86 -23.854 -22.523 10.795 1.00 24.60 O HETATM 1190 O HOH 87 -7.237 -27.678 0.132 1.00 18.55 O HETATM 1191 O HOH 88 -24.178 -6.428 -2.160 1.00 15.62 O HETATM 1192 O HOH 89 -21.677 -14.870 -8.312 1.00 31.76 O HETATM 1193 O HOH 90 -24.590 -17.509 11.435 1.00 23.19 O HETATM 1194 O HOH 91 -8.138 -30.669 2.867 1.00 28.91 O HETATM 1195 O HOH 92 -16.738 -30.065 -8.441 1.00 32.03 O HETATM 1196 O HOH 93 -16.933 4.818 9.063 1.00 24.63 O HETATM 1197 O HOH 94 -16.447 7.447 6.065 1.00 31.07 O HETATM 1198 O HOH 95 -17.709 1.698 9.493 1.00 24.26 O HETATM 1199 O HOH 96 -10.189 -22.582 4.160 1.00 22.71 O HETATM 1200 O HOH 97 -13.979 -9.315 -11.344 1.00 28.42 O HETATM 1201 O HOH 98 -22.522 -29.796 -6.291 1.00 32.97 O HETATM 1202 O HOH 99 -21.392 -8.946 22.962 1.00 24.67 O HETATM 1203 O HOH 100 -21.766 -27.302 -7.256 1.00 17.86 O HETATM 1204 O HOH 101 -4.101 -24.880 0.291 1.00 15.76 O HETATM 1205 O HOH 102 -18.232 9.939 5.637 1.00 40.72 O HETATM 1206 O HOH 103 -9.017 -20.711 5.994 1.00 22.91 O HETATM 1207 O HOH 104 -32.948 -12.740 16.619 1.00 33.60 O HETATM 1208 O HOH 105 -21.437 -17.360 -13.413 1.00 44.79 O HETATM 1209 O HOH 106 -18.106 1.258 -0.393 1.00 17.48 O HETATM 1210 O HOH 107 -13.247 -7.748 -9.538 1.00 21.70 O HETATM 1211 O HOH 108 -12.386 -10.667 14.580 1.00 22.25 O HETATM 1212 O HOH 109 -33.849 -10.607 17.748 1.00 23.22 O HETATM 1213 O HOH 110 -6.167 -18.090 5.837 1.00 27.64 O HETATM 1214 O HOH 111 -23.951 -24.975 -7.538 1.00 17.18 O HETATM 1215 O HOH 112 -14.162 -12.850 20.597 1.00 39.67 O HETATM 1216 O HOH 113 -23.539 7.228 4.652 1.00 18.65 O HETATM 1217 O HOH 114 -4.763 -27.504 4.824 1.00 33.89 O HETATM 1218 O HOH 115 -10.310 -18.871 -15.228 1.00 41.27 O HETATM 1219 O HOH 116 -22.095 8.229 6.796 1.00 30.94 O HETATM 1220 O HOH 117 -23.117 -14.642 17.164 1.00 39.91 O HETATM 1221 O HOH 118 -26.383 -23.289 10.615 1.00 42.99 O HETATM 1222 O HOH 119 -5.452 -28.504 2.280 1.00 28.82 O HETATM 1223 O HOH 120 -7.642 -4.362 -1.879 1.00 29.83 O HETATM 1224 O HOH 121 -22.905 -17.507 -8.559 1.00 32.84 O HETATM 1225 O HOH 122 -29.098 -7.134 1.830 1.00 20.01 O HETATM 1226 O HOH 123 -13.421 -24.258 11.896 1.00 17.61 O HETATM 1227 O HOH 124 -20.234 -34.312 7.303 1.00 32.69 O HETATM 1228 O HOH 125 -26.986 1.334 13.664 1.00 38.80 O HETATM 1229 O HOH 126 -4.081 -10.727 7.265 1.00 35.40 O HETATM 1230 O HOH 127 -10.679 -24.072 11.099 1.00 22.73 O HETATM 1231 O HOH 128 -16.373 -15.414 17.748 1.00 37.37 O HETATM 1232 O HOH 129 -24.449 -5.946 -5.042 1.00 13.05 O HETATM 1233 O HOH 130 -31.551 -9.717 18.964 1.00 30.91 O HETATM 1234 O HOH 131 -7.553 -25.792 8.214 1.00 31.30 O HETATM 1235 O HOH 132 -22.960 -7.968 25.021 1.00 37.36 O HETATM 1236 O HOH 133 -19.443 -13.677 19.274 1.00 35.64 O HETATM 1237 O HOH 134 -26.794 -18.339 -9.272 1.00 43.84 O HETATM 1238 O HOH 135 -28.690 -0.903 0.548 1.00 37.01 O HETATM 1239 O HOH 136 -8.398 -6.775 -5.587 1.00 17.14 O HETATM 1240 O HOH 137 -27.784 -14.152 -5.675 1.00 35.64 O HETATM 1241 O HOH 138 -9.766 -24.259 8.325 1.00 28.95 O HETATM 1242 O HOH 139 -23.721 -15.640 13.774 1.00 23.11 O HETATM 1243 O HOH 140 -13.081 -2.725 -10.625 1.00 34.52 O HETATM 1244 O HOH 141 -27.610 2.141 2.107 1.00 30.37 O HETATM 1245 O HOH 142 -7.093 -17.217 -14.387 1.00 43.44 O HETATM 1246 O HOH 143 -8.502 -25.295 11.601 1.00 41.90 O HETATM 1247 O HOH 144 -15.642 1.917 -1.622 1.00 14.72 O HETATM 1248 O HOH 145 -26.034 -10.265 -2.750 1.00 18.46 O HETATM 1249 O HOH 146 -10.691 -15.485 13.050 1.00 31.61 O HETATM 1250 O HOH 147 -12.552 -20.299 -16.025 1.00 34.27 O HETATM 1251 O HOH 148 -16.652 -2.388 17.496 1.00 35.70 O HETATM 1252 O HOH 149 -20.000 2.648 10.449 1.00 30.58 O HETATM 1253 O HOH 150 -12.066 1.518 -8.653 1.00 29.15 O HETATM 1254 O HOH 151 -6.486 -21.508 -14.578 1.00 20.57 O HETATM 1255 O HOH 152 -27.276 5.358 6.718 1.00 34.22 O HETATM 1256 O HOH 153 -21.087 -33.915 1.286 1.00 34.66 O HETATM 1257 O HOH 154 -7.005 -12.226 -11.634 1.00 34.89 O HETATM 1258 O HOH 155 -11.066 -10.789 -13.808 1.00 37.82 O HETATM 1259 O HOH 156 -19.698 5.167 9.922 1.00 38.14 O HETATM 1260 O HOH 157 -8.218 -9.758 11.309 1.00 36.00 O HETATM 1261 O HOH 158 -21.822 -33.773 -1.399 1.00 31.74 O HETATM 1262 O HOH 159 -6.391 -5.793 10.686 1.00 39.38 O HETATM 1263 O HOH 160 -10.967 -24.532 6.056 1.00 24.50 O HETATM 1264 O HOH 161 -29.461 -8.097 23.857 1.00 42.16 O HETATM 1265 O HOH 162 -26.281 7.623 5.584 1.00 36.47 O HETATM 1266 C7 B A 8 -14.834 -6.194 15.003 1.00 0.03 C HETATM 1267 C8 B A 8 -14.828 -7.667 15.338 1.00 -0.02 C HETATM 1268 N9 B A 8 -16.041 -8.224 15.390 1.00 0.24 N HETATM 1269 C10 B A 8 -16.679 -8.098 14.232 1.00 -0.01 C HETATM 1270 C11 B A 8 -16.882 -6.628 13.842 1.00 0.08 C HETATM 1271 C12 B A 8 -15.537 -6.022 13.675 1.00 -0.01 C HETATM 1272 H11 B A 8 -14.981 -6.539 12.879 1.00 0.03 H HETATM 1273 H12 B A 8 -15.627 -4.954 13.426 1.00 0.03 H HETATM 1274 N13 B A 8 -17.638 -6.577 12.634 1.00 -0.32 N HETATM 1275 C15 B A 8 -18.605 -5.620 12.504 1.00 0.19 C HETATM 1276 N16 B A 8 -19.382 -5.535 11.211 1.00 -0.23 N HETATM 1277 C17 B A 8 -20.370 -4.607 10.955 1.00 0.30 C HETATM 1278 C18 B A 8 -20.648 -3.733 11.992 1.00 0.28 C HETATM 1279 C19 B A 8 -19.885 -3.850 13.251 1.00 0.19 C HETATM 1280 C23 B A 8 -20.500 -2.738 14.028 1.00 0.05 C HETATM 1281 C22 B A 8 -21.357 -2.175 13.379 1.00 0.10 C HETATM 1282 N21 B A 8 -21.508 -2.638 12.258 1.00 -0.18 N HETATM 1283 H27 B A 8 -22.189 -2.271 11.578 1.00 0.27 H HETATM 1284 H16 B A 8 -21.937 -1.336 13.760 1.00 0.16 H HETATM 1285 H17 B A 8 -20.218 -2.466 15.044 1.00 0.06 H HETATM 1286 N20 B A 8 -18.970 -4.718 13.484 1.00 -0.25 N HETATM 1287 H26 B A 8 -18.507 -4.742 14.404 1.00 0.23 H HETATM 1288 O24 B A 8 -21.002 -4.644 9.824 1.00 -0.34 O HETATM 1289 C29 B A 8 -19.008 -6.516 10.203 1.00 0.02 C HETATM 1290 H22 B A 8 -18.208 -7.160 10.597 1.00 0.05 H HETATM 1291 H23 B A 8 -18.650 -5.997 9.302 1.00 0.05 H HETATM 1292 H24 B A 8 -19.883 -7.132 9.948 1.00 0.05 H HETATM 1293 H25 B A 8 -17.459 -7.249 11.874 1.00 0.18 H HETATM 1294 H10 B A 8 -17.429 -6.097 14.635 1.00 0.06 H HETATM 1295 H4 B A 8 -17.663 -8.582 14.315 1.00 0.08 H HETATM 1296 H5 B A 8 -16.091 -8.595 13.447 1.00 0.08 H HETATM 1297 C14 B A 8 -16.044 -9.468 15.716 1.00 -0.04 C HETATM 1298 H13 B A 8 -15.520 -9.597 16.674 1.00 0.08 H HETATM 1299 H14 B A 8 -15.533 -10.053 14.937 1.00 0.08 H HETATM 1300 H15 B A 8 -17.082 -9.818 15.816 1.00 0.08 H HETATM 1301 H6 B A 8 -16.563 -7.725 16.093 1.00 0.20 H HETATM 1302 H2 B A 8 -14.348 -7.795 16.319 1.00 0.08 H HETATM 1303 H3 B A 8 -14.240 -8.192 14.571 1.00 0.08 H HETATM 1304 C4 B A 8 -13.459 -5.565 14.944 1.00 -0.05 C HETATM 1305 C5 B A 8 -12.513 -6.197 14.385 1.00 -0.04 C HETATM 1306 C6 B A 8 -11.066 -5.650 14.289 1.00 0.11 C HETATM 1307 C1 B A 8 -10.914 -4.354 14.889 1.00 0.11 C HETATM 1308 C2 B A 8 -12.234 -3.831 15.522 1.00 -0.05 C HETATM 1309 C3 B A 8 -13.345 -4.482 15.468 1.00 -0.08 C HETATM 1310 H8 B A 8 -14.224 -4.034 15.917 1.00 0.04 H HETATM 1311 H9 B A 8 -12.219 -2.875 16.032 1.00 0.05 H HETATM 1312 O28 B A 8 -9.727 -3.769 14.880 1.00 -0.32 O HETATM 1313 C27 B A 8 -8.742 -4.405 14.366 1.00 0.09 C HETATM 1314 C26 B A 8 -8.845 -5.507 13.410 1.00 0.09 C HETATM 1315 O25 B A 8 -10.014 -6.298 13.599 1.00 -0.32 O HETATM 1316 H18 B A 8 -7.962 -6.153 13.523 1.00 0.06 H HETATM 1317 H19 B A 8 -8.865 -5.088 12.393 1.00 0.06 H HETATM 1318 H20 B A 8 -8.134 -3.639 13.862 1.00 0.06 H HETATM 1319 H21 B A 8 -8.183 -4.814 15.221 1.00 0.06 H HETATM 1320 H7 B A 8 -12.727 -7.168 13.953 1.00 0.04 H HETATM 1321 H1 B A 8 -15.408 -5.670 15.781 1.00 0.05 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1266 1267 1271 1304 1321 CONECT 1267 1266 1268 1302 1303 CONECT 1268 1267 1269 1297 1301 CONECT 1269 1268 1270 1295 1296 CONECT 1270 1269 1271 1274 1294 CONECT 1271 1266 1270 1272 1273 CONECT 1272 1271 CONECT 1273 1271 CONECT 1274 1270 1275 1293 CONECT 1275 1274 1276 1286 CONECT 1276 1275 1277 1289 CONECT 1277 1276 1278 1288 CONECT 1278 1277 1279 1282 CONECT 1279 1278 1280 1286 CONECT 1280 1279 1281 1285 CONECT 1281 1280 1282 1284 CONECT 1282 1278 1281 1283 CONECT 1283 1282 CONECT 1284 1281 CONECT 1285 1280 CONECT 1286 1275 1279 1287 CONECT 1287 1286 CONECT 1288 1277 CONECT 1289 1276 1290 1291 1292 CONECT 1290 1289 CONECT 1291 1289 CONECT 1292 1289 CONECT 1293 1274 CONECT 1294 1270 CONECT 1295 1269 CONECT 1296 1269 CONECT 1297 1268 1298 1299 1300 CONECT 1298 1297 CONECT 1299 1297 CONECT 1300 1297 CONECT 1301 1268 CONECT 1302 1267 CONECT 1303 1267 CONECT 1304 1266 1305 1309 CONECT 1305 1304 1306 1320 CONECT 1306 1305 1307 1315 CONECT 1307 1306 1308 1312 CONECT 1308 1307 1309 1311 CONECT 1309 1304 1308 1310 CONECT 1310 1309 CONECT 1311 1308 CONECT 1312 1307 1313 CONECT 1313 1312 1314 1318 1319 CONECT 1314 1313 1315 1316 1317 CONECT 1315 1306 1314 CONECT 1316 1314 CONECT 1317 1314 CONECT 1318 1313 CONECT 1319 1313 CONECT 1320 1305 CONECT 1321 1266 MASTER 0 0 0 0 0 0 0 0 1320 1 60 9 END
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Structure:
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Protein
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Related entries of code: 6j3p
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5mlj
RCSB PDB
PDBbind
112aa, >5MLJ_1|Chains... at 97%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6j3p
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
GCN5
Ligand Name
B8O
EC.Number
E.C.-.-.-.-
Resolution
1.6(Å)
Affinity (Kd/Ki/IC50)
Kd=105nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J.Med.Chem. Vol. 62: pp. 4526-4542
Ligand Properties
Formula
C
2
1
H
2
7
N
5
O
3
Molecular Weight
397.471
Exact Mass
397.211
No. of atoms
56
No. of bonds
60
Polar Surface Area
90.45
LOGP Value
1.23 (
Computed with XLOGP3
)
-0.41 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 5
Canonical SMILES
C[N@@H+]1C[C@@H](C[C@@H](C1)c1ccc2c(c1)OCCO2)/[NH+]=c/1\[nH]c2cc[nH]c2c(=O)n1C
InChI String
InChI=1S/C21H25N5O3/c1-25-11-14(13-3-4-17-18(10-13)29-8-7-28-17)9-15(12-25)23-21-24-16-5-6-22-19(16)20(27)26(21)2/h3-6,10,14-15,22H,7-9,11-12H2,1-2H3,(H,23,24)/p+2/t14-,15+/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):
Q92830
Entrez Gene ID
NCBI Entrez Gene ID:
2648
ASD
Information of known allosteric effects of PDB entries
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