Browse entries in the PDBbind-CN Database
HEADER 4GVC_COMPLEX COMPND 4GVC_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 94 GLY ALA MET GLY LYS VAL THR HIS SER ILE HIS ILE GLU SEQRES 2 A 94 LYS SER ASP THR ALA ALA ASP THR TYR GLY PHE SER LEU SEQRES 3 A 94 SER SER VAL GLU GLU ASP GLY ILE ARG ARG LEU TYR VAL SEQRES 4 A 94 ASN SER VAL LYS GLU THR GLY LEU ALA SER LYS LYS GLY SEQRES 5 A 94 LEU LYS ALA GLY ASP GLU ILE LEU GLU ILE ASN ASN ARG SEQRES 6 A 94 ALA ALA ASP ALA LEU ASN SER SER MET LEU LYS ASP PHE SEQRES 7 A 94 LEU SER GLN PRO SER LEU GLY LEU LEU VAL ARG THR TYR SEQRES 8 A 94 PRO GLU LEU HET NA A 1 1 HET THR A 192 140 ATOM 1 N GLY A 837 16.002 -26.302 13.500 1.00 12.07 N ATOM 2 CA GLY A 837 14.881 -25.977 12.567 1.00 11.01 C ATOM 3 C GLY A 837 15.440 -25.801 11.175 1.00 11.24 C ATOM 4 O GLY A 837 16.647 -25.940 10.962 1.00 11.56 O ATOM 5 HN3 GLY A 837 16.693 -25.525 13.493 1.00 0.00 H ATOM 6 HN2 GLY A 837 16.464 -27.181 13.192 1.00 0.00 H ATOM 7 HN1 GLY A 837 15.626 -26.425 14.462 1.00 0.00 H ATOM 8 N ALA A 838 14.564 -25.523 10.217 1.00 11.12 N ATOM 9 CA ALA A 838 14.992 -25.349 8.839 1.00 10.91 C ATOM 10 C ALA A 838 14.199 -24.216 8.203 1.00 10.86 C ATOM 11 O ALA A 838 13.831 -23.270 8.908 1.00 11.14 O ATOM 12 CB ALA A 838 14.881 -26.663 8.051 1.00 11.21 C ATOM 13 H ALA A 838 13.556 -25.428 10.456 1.00 0.00 H ATOM 14 N MET A 839 13.938 -24.297 6.899 1.00 10.37 N ATOM 15 CA MET A 839 13.375 -23.155 6.175 1.00 10.62 C ATOM 16 C MET A 839 11.863 -23.175 6.033 1.00 9.77 C ATOM 17 O MET A 839 11.282 -22.288 5.401 1.00 9.59 O ATOM 18 CB MET A 839 14.026 -22.995 4.797 1.00 11.77 C ATOM 19 CG MET A 839 15.484 -22.549 4.862 1.00 14.61 C ATOM 20 SD MET A 839 16.128 -22.130 3.238 1.00 19.73 S ATOM 21 CE MET A 839 15.951 -23.684 2.361 1.00 19.70 C ATOM 22 H MET A 839 14.136 -25.182 6.389 1.00 0.00 H ATOM 23 N GLY A 840 11.219 -24.176 6.624 1.00 9.24 N ATOM 24 CA GLY A 840 9.780 -24.340 6.469 1.00 8.96 C ATOM 25 C GLY A 840 8.956 -23.224 7.076 1.00 8.46 C ATOM 26 O GLY A 840 9.302 -22.672 8.138 1.00 8.91 O ATOM 27 H GLY A 840 11.751 -24.853 7.207 1.00 0.00 H ATOM 28 N LYS A 841 7.867 -22.885 6.389 1.00 8.28 N ATOM 29 CA LYS A 841 6.888 -21.913 6.876 1.00 8.25 C ATOM 30 C LYS A 841 6.086 -22.485 8.046 1.00 8.12 C ATOM 31 O LYS A 841 5.503 -23.571 7.944 1.00 9.19 O ATOM 32 CB LYS A 841 5.938 -21.543 5.727 1.00 9.03 C ATOM 33 CG LYS A 841 4.677 -20.770 6.098 1.00 10.11 C ATOM 34 CD LYS A 841 3.881 -20.502 4.825 1.00 13.40 C ATOM 35 CE LYS A 841 2.599 -19.773 5.093 1.00 15.22 C ATOM 36 NZ LYS A 841 1.918 -19.520 3.797 1.00 17.30 N ATOM 37 HZ1 LYS A 841 2.534 -18.943 3.190 1.00 0.00 H ATOM 38 HZ2 LYS A 841 1.719 -20.427 3.328 1.00 0.00 H ATOM 39 HZ3 LYS A 841 1.026 -19.014 3.969 1.00 0.00 H ATOM 40 H LYS A 841 7.705 -23.332 5.464 1.00 0.00 H ATOM 41 N VAL A 842 6.075 -21.750 9.152 1.00 6.83 N ATOM 42 CA VAL A 842 5.244 -22.097 10.297 1.00 6.57 C ATOM 43 C VAL A 842 4.354 -20.903 10.598 1.00 6.42 C ATOM 44 O VAL A 842 4.840 -19.769 10.696 1.00 7.49 O ATOM 45 CB VAL A 842 6.097 -22.441 11.543 1.00 6.50 C ATOM 46 CG1 VAL A 842 5.200 -22.869 12.703 1.00 8.42 C ATOM 47 CG2 VAL A 842 7.101 -23.555 11.224 1.00 7.91 C ATOM 48 H VAL A 842 6.676 -20.903 9.202 1.00 0.00 H ATOM 49 N THR A 843 3.051 -21.141 10.720 1.00 6.24 N ATOM 50 CA THR A 843 2.149 -20.059 11.117 1.00 6.47 C ATOM 51 C THR A 843 1.592 -20.291 12.505 1.00 6.49 C ATOM 52 O THR A 843 1.562 -21.413 12.998 1.00 6.81 O ATOM 53 CB THR A 843 1.012 -19.794 10.105 1.00 6.22 C ATOM 54 OG1 THR A 843 0.043 -20.851 10.161 1.00 7.03 O ATOM 55 CG2 THR A 843 1.578 -19.688 8.694 1.00 7.22 C ATOM 56 HG1 THR A 843 -0.339 -20.899 11.073 1.00 0.00 H ATOM 57 H THR A 843 2.675 -22.092 10.534 1.00 0.00 H ATOM 58 N HIS A 844 1.185 -19.198 13.135 1.00 6.89 N ATOM 59 CA HIS A 844 0.747 -19.206 14.514 1.00 7.62 C ATOM 60 C HIS A 844 -0.557 -18.421 14.557 1.00 7.93 C ATOM 61 O HIS A 844 -0.590 -17.274 14.133 1.00 7.64 O ATOM 62 CB HIS A 844 1.841 -18.547 15.374 1.00 8.26 C ATOM 63 CG HIS A 844 1.555 -18.538 16.848 1.00 9.52 C ATOM 64 ND1 HIS A 844 2.163 -17.649 17.710 1.00 12.37 N ATOM 65 CD2 HIS A 844 0.747 -19.312 17.616 1.00 10.62 C ATOM 66 CE1 HIS A 844 1.742 -17.873 18.942 1.00 12.78 C ATOM 67 NE2 HIS A 844 0.885 -18.879 18.915 1.00 12.56 N ATOM 68 H HIS A 844 1.180 -18.297 12.616 1.00 0.00 H ATOM 69 N SER A 845 -1.636 -19.072 14.996 1.00 7.98 N ATOM 70 CA SER A 845 -2.936 -18.412 15.156 1.00 9.43 C ATOM 71 C SER A 845 -3.104 -17.988 16.601 1.00 9.58 C ATOM 72 O SER A 845 -2.988 -18.810 17.518 1.00 10.12 O ATOM 73 CB SER A 845 -4.077 -19.351 14.756 1.00 9.79 C ATOM 74 OG SER A 845 -3.988 -19.704 13.389 1.00 12.33 O ATOM 75 HG SER A 845 -3.126 -20.162 13.223 1.00 0.00 H ATOM 76 H SER A 845 -1.552 -20.081 15.233 1.00 0.00 H ATOM 77 N ILE A 846 -3.406 -16.709 16.795 1.00 10.62 N ATOM 78 CA ILE A 846 -3.452 -16.095 18.109 1.00 11.41 C ATOM 79 C ILE A 846 -4.801 -15.424 18.271 1.00 11.55 C ATOM 80 O ILE A 846 -5.270 -14.729 17.372 1.00 12.16 O ATOM 81 CB ILE A 846 -2.308 -15.051 18.269 1.00 11.39 C ATOM 82 CG1 ILE A 846 -0.934 -15.732 18.179 1.00 12.20 C ATOM 83 CG2 ILE A 846 -2.418 -14.329 19.582 1.00 13.07 C ATOM 84 CD1 ILE A 846 0.233 -14.756 17.992 1.00 14.97 C ATOM 85 H ILE A 846 -3.620 -16.119 15.965 1.00 0.00 H ATOM 86 N HIS A 847 -5.432 -15.650 19.418 1.00 12.39 N ATOM 87 CA HIS A 847 -6.631 -14.919 19.792 1.00 13.37 C ATOM 88 C HIS A 847 -6.358 -14.199 21.102 1.00 13.20 C ATOM 89 O HIS A 847 -6.064 -14.839 22.116 1.00 13.81 O ATOM 90 CB HIS A 847 -7.825 -15.869 19.938 1.00 14.43 C ATOM 91 CG HIS A 847 -9.050 -15.208 20.478 1.00 16.61 C ATOM 92 ND1 HIS A 847 -9.891 -14.448 19.697 1.00 18.41 N ATOM 93 CD2 HIS A 847 -9.567 -15.179 21.729 1.00 18.22 C ATOM 94 CE1 HIS A 847 -10.880 -13.986 20.441 1.00 18.86 C ATOM 95 NE2 HIS A 847 -10.703 -14.411 21.679 1.00 18.99 N ATOM 96 H HIS A 847 -5.057 -16.371 20.067 1.00 0.00 H ATOM 97 N ILE A 848 -6.443 -12.870 21.073 1.00 12.89 N ATOM 98 CA ILE A 848 -6.215 -12.051 22.269 1.00 13.34 C ATOM 99 C ILE A 848 -7.509 -11.372 22.697 1.00 13.90 C ATOM 100 O ILE A 848 -8.255 -10.843 21.862 1.00 13.46 O ATOM 101 CB ILE A 848 -5.113 -10.977 22.059 1.00 13.40 C ATOM 102 CG1 ILE A 848 -3.921 -11.563 21.301 1.00 14.46 C ATOM 103 CG2 ILE A 848 -4.666 -10.401 23.416 1.00 13.29 C ATOM 104 CD1 ILE A 848 -3.023 -10.546 20.627 1.00 15.65 C ATOM 105 H ILE A 848 -6.678 -12.399 20.176 1.00 0.00 H ATOM 106 N GLU A 849 -7.761 -11.389 24.002 1.00 14.75 N ATOM 107 CA GLU A 849 -8.952 -10.786 24.569 1.00 15.92 C ATOM 108 C GLU A 849 -8.555 -9.857 25.712 1.00 15.36 C ATOM 109 O GLU A 849 -7.609 -10.140 26.463 1.00 15.33 O ATOM 110 CB GLU A 849 -9.906 -11.875 25.052 1.00 17.37 C ATOM 111 CG GLU A 849 -11.340 -11.643 24.641 1.00 21.18 C ATOM 112 CD GLU A 849 -11.999 -12.897 24.080 1.00 25.26 C ATOM 113 OE1 GLU A 849 -11.674 -14.018 24.535 1.00 28.11 O ATOM 114 OE2 GLU A 849 -12.845 -12.763 23.169 1.00 28.37 O ATOM 115 H GLU A 849 -7.080 -11.851 24.639 1.00 0.00 H ATOM 116 N LYS A 850 -9.270 -8.742 25.827 1.00 14.95 N ATOM 117 CA LYS A 850 -8.979 -7.733 26.848 1.00 14.91 C ATOM 118 C LYS A 850 -10.231 -6.934 27.192 1.00 14.88 C ATOM 119 O LYS A 850 -11.271 -7.089 26.552 1.00 14.73 O ATOM 120 CB LYS A 850 -7.882 -6.778 26.372 1.00 14.98 C ATOM 121 CG LYS A 850 -8.316 -5.866 25.233 1.00 14.93 C ATOM 122 CD LYS A 850 -7.212 -4.930 24.835 1.00 16.04 C ATOM 123 CE LYS A 850 -7.705 -3.937 23.816 1.00 15.02 C ATOM 124 NZ LYS A 850 -8.627 -2.925 24.388 1.00 14.12 N ATOM 125 HZ1 LYS A 850 -9.458 -3.403 24.790 1.00 0.00 H ATOM 126 HZ2 LYS A 850 -8.136 -2.393 25.135 1.00 0.00 H ATOM 127 HZ3 LYS A 850 -8.931 -2.272 23.638 1.00 0.00 H ATOM 128 H LYS A 850 -10.061 -8.581 25.171 1.00 0.00 H ATOM 129 N SER A 851 -10.117 -6.073 28.199 1.00 14.82 N ATOM 130 CA SER A 851 -11.205 -5.174 28.553 1.00 14.72 C ATOM 131 C SER A 851 -11.380 -4.122 27.465 1.00 14.06 C ATOM 132 O SER A 851 -10.423 -3.723 26.798 1.00 13.86 O ATOM 133 CB SER A 851 -10.947 -4.514 29.904 1.00 15.21 C ATOM 134 OG SER A 851 -10.804 -5.496 30.917 1.00 17.20 O ATOM 135 HG SER A 851 -11.634 -6.033 30.974 1.00 0.00 H ATOM 136 H SER A 851 -9.232 -6.042 28.745 1.00 0.00 H ATOM 137 N ASP A 852 -12.620 -3.695 27.270 1.00 13.46 N ATOM 138 CA ASP A 852 -12.933 -2.730 26.244 1.00 13.09 C ATOM 139 C ASP A 852 -12.847 -1.329 26.846 1.00 13.24 C ATOM 140 O ASP A 852 -13.856 -0.736 27.225 1.00 14.15 O ATOM 141 CB ASP A 852 -14.328 -3.017 25.676 1.00 13.17 C ATOM 142 CG ASP A 852 -14.703 -2.096 24.535 1.00 13.23 C ATOM 143 OD1 ASP A 852 -13.806 -1.451 23.945 1.00 12.81 O ATOM 144 OD2 ASP A 852 -15.913 -2.018 24.230 1.00 15.53 O ATOM 145 H ASP A 852 -13.385 -4.064 27.870 1.00 0.00 H ATOM 146 N THR A 853 -11.623 -0.826 26.967 1.00 12.81 N ATOM 147 CA THR A 853 -11.373 0.545 27.409 1.00 12.30 C ATOM 148 C THR A 853 -10.218 1.109 26.610 1.00 11.95 C ATOM 149 O THR A 853 -9.444 0.360 26.005 1.00 11.38 O ATOM 150 CB THR A 853 -10.995 0.678 28.914 1.00 12.52 C ATOM 151 OG1 THR A 853 -9.584 0.491 29.078 1.00 13.09 O ATOM 152 CG2 THR A 853 -11.777 -0.282 29.801 1.00 13.58 C ATOM 153 HG1 THR A 853 -9.332 -0.410 28.755 1.00 0.00 H ATOM 154 H THR A 853 -10.810 -1.432 26.738 1.00 0.00 H ATOM 155 N ALA A 854 -10.095 2.430 26.641 1.00 12.08 N ATOM 156 CA ALA A 854 -8.992 3.139 26.005 1.00 12.26 C ATOM 157 C ALA A 854 -7.695 3.068 26.815 1.00 12.15 C ATOM 158 O ALA A 854 -6.671 3.640 26.424 1.00 13.07 O ATOM 159 CB ALA A 854 -9.390 4.585 25.759 1.00 12.17 C ATOM 160 H ALA A 854 -10.818 2.984 27.142 1.00 0.00 H ATOM 161 N ALA A 855 -7.739 2.366 27.943 1.00 11.81 N ATOM 162 CA ALA A 855 -6.577 2.230 28.821 1.00 11.12 C ATOM 163 C ALA A 855 -5.993 0.824 28.842 1.00 10.93 C ATOM 164 O ALA A 855 -4.912 0.607 29.386 1.00 11.70 O ATOM 165 CB ALA A 855 -6.937 2.676 30.238 1.00 11.25 C ATOM 166 H ALA A 855 -8.629 1.898 28.210 1.00 0.00 H ATOM 167 N ASP A 856 -6.703 -0.122 28.240 1.00 10.49 N ATOM 168 CA ASP A 856 -6.278 -1.514 28.215 1.00 10.35 C ATOM 169 C ASP A 856 -5.786 -1.812 26.817 1.00 9.88 C ATOM 170 O ASP A 856 -6.569 -1.807 25.866 1.00 10.89 O ATOM 171 CB ASP A 856 -7.444 -2.428 28.597 1.00 10.85 C ATOM 172 CG ASP A 856 -7.771 -2.363 30.084 1.00 11.79 C ATOM 173 OD1 ASP A 856 -7.114 -3.075 30.878 1.00 14.29 O ATOM 174 OD2 ASP A 856 -8.681 -1.594 30.464 1.00 13.44 O ATOM 175 H ASP A 856 -7.593 0.140 27.770 1.00 0.00 H ATOM 176 N THR A 857 -4.480 -2.028 26.685 1.00 9.07 N ATOM 177 CA THR A 857 -3.879 -2.220 25.362 1.00 8.54 C ATOM 178 C THR A 857 -3.438 -3.656 25.136 1.00 7.91 C ATOM 179 O THR A 857 -3.242 -4.405 26.087 1.00 8.55 O ATOM 180 CB THR A 857 -2.680 -1.290 25.160 1.00 8.56 C ATOM 181 OG1 THR A 857 -1.758 -1.474 26.233 1.00 9.98 O ATOM 182 CG2 THR A 857 -3.136 0.164 25.125 1.00 9.39 C ATOM 183 HG1 THR A 857 -0.981 -0.874 26.106 1.00 0.00 H ATOM 184 H THR A 857 -3.877 -2.061 27.532 1.00 0.00 H ATOM 185 N TYR A 858 -3.308 -4.032 23.864 1.00 7.31 N ATOM 186 CA TYR A 858 -2.673 -5.293 23.473 1.00 6.89 C ATOM 187 C TYR A 858 -1.163 -5.245 23.669 1.00 7.01 C ATOM 188 O TYR A 858 -0.553 -6.250 24.041 1.00 8.39 O ATOM 189 CB TYR A 858 -2.992 -5.599 22.014 1.00 7.03 C ATOM 190 CG TYR A 858 -4.455 -5.903 21.775 1.00 6.90 C ATOM 191 CD1 TYR A 858 -5.006 -7.085 22.243 1.00 7.96 C ATOM 192 CD2 TYR A 858 -5.278 -5.022 21.073 1.00 7.57 C ATOM 193 CE1 TYR A 858 -6.352 -7.394 22.026 1.00 7.97 C ATOM 194 CE2 TYR A 858 -6.625 -5.309 20.861 1.00 7.41 C ATOM 195 CZ TYR A 858 -7.150 -6.500 21.342 1.00 7.72 C ATOM 196 OH TYR A 858 -8.465 -6.806 21.139 1.00 8.60 O ATOM 197 HH TYR A 858 -9.033 -6.111 21.557 1.00 0.00 H ATOM 198 H TYR A 858 -3.672 -3.405 23.119 1.00 0.00 H ATOM 199 N GLY A 859 -0.564 -4.094 23.378 1.00 6.62 N ATOM 200 CA GLY A 859 0.865 -3.899 23.563 1.00 6.07 C ATOM 201 C GLY A 859 1.669 -4.431 22.389 1.00 6.15 C ATOM 202 O GLY A 859 2.622 -5.203 22.568 1.00 6.47 O ATOM 203 H GLY A 859 -1.136 -3.309 23.006 1.00 0.00 H ATOM 204 N PHE A 860 1.286 -4.040 21.178 1.00 5.96 N ATOM 205 CA PHE A 860 2.133 -4.328 20.035 1.00 6.01 C ATOM 206 C PHE A 860 1.890 -3.289 18.953 1.00 5.71 C ATOM 207 O PHE A 860 0.866 -2.596 18.951 1.00 6.59 O ATOM 208 CB PHE A 860 1.920 -5.760 19.495 1.00 6.63 C ATOM 209 CG PHE A 860 0.678 -5.920 18.663 1.00 6.27 C ATOM 210 CD1 PHE A 860 -0.570 -6.065 19.273 1.00 7.18 C ATOM 211 CD2 PHE A 860 0.752 -5.916 17.267 1.00 6.89 C ATOM 212 CE1 PHE A 860 -1.729 -6.216 18.514 1.00 8.64 C ATOM 213 CE2 PHE A 860 -0.400 -6.064 16.492 1.00 7.78 C ATOM 214 CZ PHE A 860 -1.648 -6.214 17.125 1.00 8.55 C ATOM 215 H PHE A 860 0.387 -3.532 21.050 1.00 0.00 H ATOM 216 N SER A 861 2.846 -3.170 18.044 1.00 5.96 N ATOM 217 CA SER A 861 2.654 -2.331 16.873 1.00 6.48 C ATOM 218 C SER A 861 2.917 -3.157 15.624 1.00 6.30 C ATOM 219 O SER A 861 3.611 -4.188 15.672 1.00 6.53 O ATOM 220 CB SER A 861 3.584 -1.116 16.918 1.00 7.93 C ATOM 221 OG SER A 861 4.920 -1.532 16.799 1.00 8.24 O ATOM 222 HG SER A 861 5.142 -2.142 17.546 1.00 0.00 H ATOM 223 H SER A 861 3.743 -3.682 18.169 1.00 0.00 H ATOM 224 N LEU A 862 2.352 -2.701 14.514 1.00 6.69 N ATOM 225 CA LEU A 862 2.546 -3.340 13.225 1.00 7.28 C ATOM 226 C LEU A 862 2.961 -2.288 12.220 1.00 7.61 C ATOM 227 O LEU A 862 2.655 -1.104 12.376 1.00 7.50 O ATOM 228 CB LEU A 862 1.278 -4.065 12.761 1.00 7.96 C ATOM 229 CG LEU A 862 -0.028 -3.318 12.481 1.00 10.06 C ATOM 230 CD1 LEU A 862 -0.072 -2.710 11.079 1.00 12.83 C ATOM 231 CD2 LEU A 862 -1.149 -4.320 12.653 1.00 11.81 C ATOM 232 H LEU A 862 1.749 -1.856 14.569 1.00 0.00 H ATOM 233 N SER A 863 3.673 -2.726 11.196 1.00 8.50 N ATOM 234 CA SER A 863 4.110 -1.839 10.135 1.00 9.71 C ATOM 235 C SER A 863 3.709 -2.425 8.784 1.00 9.77 C ATOM 236 O SER A 863 3.592 -3.644 8.636 1.00 10.47 O ATOM 237 CB SER A 863 5.627 -1.677 10.208 1.00 10.49 C ATOM 238 OG SER A 863 6.265 -2.943 10.077 1.00 13.77 O ATOM 239 HG SER A 863 7.247 -2.823 10.126 1.00 0.00 H ATOM 240 H SER A 863 3.927 -3.734 11.150 1.00 0.00 H ATOM 241 N SER A 864 3.495 -1.550 7.806 1.00 10.33 N ATOM 242 CA SER A 864 3.279 -1.940 6.427 1.00 11.45 C ATOM 243 C SER A 864 4.567 -1.593 5.691 1.00 11.48 C ATOM 244 O SER A 864 5.077 -0.479 5.829 1.00 12.11 O ATOM 245 CB SER A 864 2.094 -1.154 5.850 1.00 12.38 C ATOM 246 OG SER A 864 1.809 -1.542 4.526 1.00 14.44 O ATOM 247 HG SER A 864 1.042 -1.016 4.187 1.00 0.00 H ATOM 248 H SER A 864 3.482 -0.537 8.042 1.00 0.00 H ATOM 249 N VAL A 865 5.093 -2.553 4.938 1.00 11.48 N ATOM 250 CA VAL A 865 6.349 -2.390 4.212 1.00 11.68 C ATOM 251 C VAL A 865 6.202 -2.874 2.777 1.00 11.55 C ATOM 252 O VAL A 865 5.779 -4.000 2.535 1.00 11.22 O ATOM 253 CB VAL A 865 7.489 -3.178 4.898 1.00 12.15 C ATOM 254 CG1 VAL A 865 8.772 -3.094 4.093 1.00 13.07 C ATOM 255 CG2 VAL A 865 7.736 -2.670 6.316 1.00 13.21 C ATOM 256 H VAL A 865 4.588 -3.459 4.863 1.00 0.00 H ATOM 257 N GLU A 866 6.574 -2.026 1.826 1.00 11.55 N ATOM 258 CA GLU A 866 6.591 -2.435 0.425 1.00 12.07 C ATOM 259 C GLU A 866 8.029 -2.698 -0.006 1.00 12.08 C ATOM 260 O GLU A 866 8.932 -1.907 0.281 1.00 12.14 O ATOM 261 CB GLU A 866 5.966 -1.361 -0.464 1.00 12.77 C ATOM 262 CG GLU A 866 6.123 -1.647 -1.957 1.00 14.85 C ATOM 263 CD GLU A 866 5.850 -0.445 -2.846 1.00 18.19 C ATOM 264 OE1 GLU A 866 5.787 0.701 -2.345 1.00 20.01 O ATOM 265 OE2 GLU A 866 5.690 -0.662 -4.069 1.00 19.62 O ATOM 266 H GLU A 866 6.857 -1.059 2.082 1.00 0.00 H ATOM 267 N GLU A 867 8.240 -3.827 -0.671 1.00 12.44 N ATOM 268 CA GLU A 867 9.532 -4.107 -1.271 1.00 13.27 C ATOM 269 C GLU A 867 9.300 -4.742 -2.620 1.00 12.83 C ATOM 270 O GLU A 867 8.633 -5.775 -2.715 1.00 12.40 O ATOM 271 CB GLU A 867 10.371 -5.034 -0.401 1.00 14.07 C ATOM 272 CG GLU A 867 11.847 -5.053 -0.800 1.00 18.26 C ATOM 273 CD GLU A 867 12.688 -5.967 0.078 1.00 22.73 C ATOM 274 OE1 GLU A 867 12.394 -6.093 1.291 1.00 25.19 O ATOM 275 OE2 GLU A 867 13.658 -6.550 -0.453 1.00 26.31 O ATOM 276 H GLU A 867 7.470 -4.520 -0.763 1.00 0.00 H ATOM 277 N ASP A 868 9.847 -4.108 -3.652 1.00 12.77 N ATOM 278 CA ASP A 868 9.734 -4.586 -5.024 1.00 12.68 C ATOM 279 C ASP A 868 8.299 -4.891 -5.424 1.00 12.76 C ATOM 280 O ASP A 868 8.010 -5.914 -6.038 1.00 14.01 O ATOM 281 CB ASP A 868 10.670 -5.772 -5.248 1.00 13.01 C ATOM 282 CG ASP A 868 12.111 -5.402 -5.011 1.00 13.13 C ATOM 283 OD1 ASP A 868 12.524 -4.334 -5.521 1.00 12.84 O ATOM 284 OD2 ASP A 868 12.812 -6.160 -4.307 1.00 15.21 O ATOM 285 H ASP A 868 10.379 -3.233 -3.473 1.00 0.00 H ATOM 286 N GLY A 869 7.395 -3.990 -5.057 1.00 12.46 N ATOM 287 CA GLY A 869 6.014 -4.095 -5.486 1.00 11.78 C ATOM 288 C GLY A 869 5.156 -5.090 -4.724 1.00 11.72 C ATOM 289 O GLY A 869 4.043 -5.406 -5.153 1.00 12.52 O ATOM 290 H GLY A 869 7.683 -3.195 -4.451 1.00 0.00 H ATOM 291 N ILE A 870 5.662 -5.592 -3.602 1.00 11.46 N ATOM 292 CA ILE A 870 4.877 -6.484 -2.741 1.00 11.21 C ATOM 293 C ILE A 870 4.800 -5.871 -1.361 1.00 10.62 C ATOM 294 O ILE A 870 5.815 -5.472 -0.794 1.00 11.10 O ATOM 295 CB ILE A 870 5.481 -7.914 -2.672 1.00 11.40 C ATOM 296 CG1 ILE A 870 5.349 -8.595 -4.042 1.00 12.98 C ATOM 297 CG2 ILE A 870 4.808 -8.749 -1.565 1.00 11.86 C ATOM 298 CD1 ILE A 870 5.907 -9.995 -4.123 1.00 15.75 C ATOM 299 H ILE A 870 6.635 -5.347 -3.329 1.00 0.00 H ATOM 300 N ARG A 871 3.582 -5.780 -0.835 1.00 10.34 N ATOM 301 CA ARG A 871 3.353 -5.208 0.491 1.00 10.33 C ATOM 302 C ARG A 871 3.171 -6.331 1.501 1.00 9.86 C ATOM 303 O ARG A 871 2.413 -7.276 1.269 1.00 10.85 O ATOM 304 CB ARG A 871 2.103 -4.322 0.459 1.00 11.47 C ATOM 305 CG ARG A 871 1.709 -3.635 1.752 1.00 13.34 C ATOM 306 CD ARG A 871 0.378 -2.865 1.604 1.00 17.89 C ATOM 307 NE ARG A 871 -0.186 -2.506 2.911 1.00 20.37 N ATOM 308 CZ ARG A 871 -1.399 -2.830 3.354 1.00 20.61 C ATOM 309 NH1 ARG A 871 -2.254 -3.512 2.596 1.00 19.86 N ATOM 310 NH2 ARG A 871 -1.771 -2.440 4.565 1.00 22.49 N ATOM 311 HE ARG A 871 0.417 -1.948 3.549 1.00 0.00 H ATOM 312 HH12 ARG A 871 -3.196 -3.754 2.964 1.00 0.00 H ATOM 313 HH11 ARG A 871 -1.980 -3.803 1.636 1.00 0.00 H ATOM 314 HH22 ARG A 871 -2.716 -2.686 4.923 1.00 0.00 H ATOM 315 HH21 ARG A 871 -1.118 -1.888 5.157 1.00 0.00 H ATOM 316 H ARG A 871 2.768 -6.126 -1.383 1.00 0.00 H ATOM 317 N ARG A 872 3.842 -6.199 2.638 1.00 8.88 N ATOM 318 CA ARG A 872 3.665 -7.114 3.777 1.00 8.59 C ATOM 319 C ARG A 872 3.415 -6.339 5.055 1.00 8.21 C ATOM 320 O ARG A 872 3.859 -5.189 5.195 1.00 8.84 O ATOM 321 CB ARG A 872 4.903 -7.972 3.961 1.00 8.75 C ATOM 322 CG ARG A 872 5.163 -8.924 2.801 1.00 9.80 C ATOM 323 CD ARG A 872 6.515 -9.567 2.980 1.00 12.01 C ATOM 324 NE ARG A 872 6.866 -10.473 1.885 1.00 13.04 N ATOM 325 CZ ARG A 872 7.551 -10.115 0.799 1.00 14.83 C ATOM 326 NH1 ARG A 872 7.963 -8.865 0.637 1.00 14.72 N ATOM 327 NH2 ARG A 872 7.828 -11.015 -0.132 1.00 15.41 N ATOM 328 HE ARG A 872 6.560 -11.464 1.960 1.00 0.00 H ATOM 329 HH12 ARG A 872 8.497 -8.600 -0.215 1.00 0.00 H ATOM 330 HH11 ARG A 872 7.753 -8.150 1.362 1.00 0.00 H ATOM 331 HH22 ARG A 872 8.362 -10.738 -0.980 1.00 0.00 H ATOM 332 HH21 ARG A 872 7.511 -11.999 -0.015 1.00 0.00 H ATOM 333 H ARG A 872 4.521 -5.417 2.728 1.00 0.00 H ATOM 334 N LEU A 873 2.692 -6.961 5.982 1.00 7.85 N ATOM 335 CA LEU A 873 2.510 -6.384 7.310 1.00 7.62 C ATOM 336 C LEU A 873 3.373 -7.154 8.280 1.00 7.49 C ATOM 337 O LEU A 873 3.376 -8.388 8.261 1.00 7.98 O ATOM 338 CB LEU A 873 1.056 -6.465 7.769 1.00 8.08 C ATOM 339 CG LEU A 873 -0.031 -5.699 7.023 1.00 10.34 C ATOM 340 CD1 LEU A 873 -1.303 -5.776 7.854 1.00 12.22 C ATOM 341 CD2 LEU A 873 0.329 -4.259 6.741 1.00 12.76 C ATOM 342 H LEU A 873 2.249 -7.874 5.757 1.00 0.00 H ATOM 343 N TYR A 874 4.113 -6.425 9.109 1.00 7.58 N ATOM 344 CA TYR A 874 4.999 -7.049 10.087 1.00 7.55 C ATOM 345 C TYR A 874 4.658 -6.599 11.483 1.00 7.38 C ATOM 346 O TYR A 874 4.140 -5.500 11.676 1.00 7.40 O ATOM 347 CB TYR A 874 6.442 -6.646 9.831 1.00 8.38 C ATOM 348 CG TYR A 874 7.057 -7.251 8.610 1.00 9.62 C ATOM 349 CD1 TYR A 874 7.511 -8.566 8.613 1.00 11.35 C ATOM 350 CD2 TYR A 874 7.228 -6.492 7.452 1.00 12.07 C ATOM 351 CE1 TYR A 874 8.101 -9.127 7.476 1.00 12.43 C ATOM 352 CE2 TYR A 874 7.817 -7.037 6.326 1.00 13.48 C ATOM 353 CZ TYR A 874 8.243 -8.351 6.338 1.00 13.60 C ATOM 354 OH TYR A 874 8.846 -8.860 5.209 1.00 17.13 O ATOM 355 HH TYR A 874 9.095 -9.805 5.367 1.00 0.00 H ATOM 356 H TYR A 874 4.060 -5.388 9.060 1.00 0.00 H ATOM 357 N VAL A 875 4.961 -7.448 12.460 1.00 6.88 N ATOM 358 CA VAL A 875 4.944 -7.033 13.850 1.00 6.79 C ATOM 359 C VAL A 875 6.184 -6.173 14.067 1.00 6.90 C ATOM 360 O VAL A 875 7.322 -6.649 13.971 1.00 7.70 O ATOM 361 CB VAL A 875 4.910 -8.229 14.827 1.00 6.68 C ATOM 362 CG1 VAL A 875 4.869 -7.735 16.255 1.00 7.03 C ATOM 363 CG2 VAL A 875 3.704 -9.106 14.544 1.00 7.71 C ATOM 364 H VAL A 875 5.215 -8.428 12.223 1.00 0.00 H ATOM 365 N ASN A 876 5.946 -4.888 14.300 1.00 6.77 N ATOM 366 CA ASN A 876 7.002 -3.895 14.445 1.00 7.45 C ATOM 367 C ASN A 876 7.637 -3.857 15.843 1.00 7.49 C ATOM 368 O ASN A 876 8.841 -3.606 15.984 1.00 8.47 O ATOM 369 CB ASN A 876 6.440 -2.519 14.059 1.00 7.33 C ATOM 370 CG ASN A 876 7.443 -1.411 14.237 1.00 9.56 C ATOM 371 OD1 ASN A 876 8.462 -1.375 13.557 1.00 10.77 O ATOM 372 ND2 ASN A 876 7.163 -0.504 15.167 1.00 10.65 N ATOM 373 HD22 ASN A 876 6.284 -0.579 15.718 1.00 0.00 H ATOM 374 HD21 ASN A 876 7.823 0.280 15.344 1.00 0.00 H ATOM 375 H ASN A 876 4.958 -4.575 14.383 1.00 0.00 H ATOM 376 N SER A 877 6.831 -4.103 16.873 1.00 7.57 N ATOM 377 CA SER A 877 7.320 -4.189 18.246 1.00 7.76 C ATOM 378 C SER A 877 6.320 -4.936 19.098 1.00 7.24 C ATOM 379 O SER A 877 5.130 -4.989 18.774 1.00 6.65 O ATOM 380 CB SER A 877 7.574 -2.797 18.829 1.00 8.45 C ATOM 381 OG SER A 877 6.382 -2.051 18.933 1.00 10.50 O ATOM 382 HG SER A 877 5.981 -1.945 18.034 1.00 0.00 H ATOM 383 H SER A 877 5.816 -4.239 16.693 1.00 0.00 H ATOM 384 N VAL A 878 6.801 -5.502 20.195 1.00 7.18 N ATOM 385 CA VAL A 878 5.927 -6.142 21.165 1.00 7.79 C ATOM 386 C VAL A 878 6.334 -5.654 22.548 1.00 8.30 C ATOM 387 O VAL A 878 7.496 -5.778 22.934 1.00 9.37 O ATOM 388 CB VAL A 878 6.004 -7.686 21.072 1.00 7.78 C ATOM 389 CG1 VAL A 878 5.113 -8.312 22.112 1.00 8.82 C ATOM 390 CG2 VAL A 878 5.594 -8.175 19.697 1.00 9.07 C ATOM 391 H VAL A 878 7.827 -5.488 20.366 1.00 0.00 H ATOM 392 N LYS A 879 5.389 -5.066 23.279 1.00 9.42 N ATOM 393 CA LYS A 879 5.669 -4.576 24.626 1.00 10.48 C ATOM 394 C LYS A 879 5.998 -5.757 25.539 1.00 11.34 C ATOM 395 O LYS A 879 5.242 -6.726 25.601 1.00 11.18 O ATOM 396 CB LYS A 879 4.478 -3.778 25.152 1.00 10.30 C ATOM 397 CG LYS A 879 4.789 -2.884 26.321 1.00 12.62 C ATOM 398 CD LYS A 879 3.609 -1.980 26.599 1.00 14.20 C ATOM 399 CE LYS A 879 4.021 -0.862 27.518 1.00 16.28 C ATOM 400 NZ LYS A 879 2.858 -0.063 27.930 1.00 18.03 N ATOM 401 HZ1 LYS A 879 2.404 0.346 27.088 1.00 0.00 H ATOM 402 HZ2 LYS A 879 2.179 -0.673 28.429 1.00 0.00 H ATOM 403 HZ3 LYS A 879 3.170 0.701 28.563 1.00 0.00 H ATOM 404 H LYS A 879 4.434 -4.954 22.883 1.00 0.00 H ATOM 405 N GLU A 880 7.127 -5.668 26.239 1.00 13.24 N ATOM 406 CA GLU A 880 7.650 -6.812 26.995 1.00 15.31 C ATOM 407 C GLU A 880 6.741 -7.316 28.123 1.00 15.44 C ATOM 408 O GLU A 880 6.827 -8.487 28.521 1.00 16.92 O ATOM 409 CB GLU A 880 9.078 -6.539 27.504 1.00 16.34 C ATOM 410 CG GLU A 880 9.226 -5.345 28.462 1.00 20.92 C ATOM 411 CD GLU A 880 10.642 -5.193 29.031 1.00 25.36 C ATOM 412 OE1 GLU A 880 11.627 -5.171 28.253 1.00 27.79 O ATOM 413 OE2 GLU A 880 10.770 -5.082 30.271 1.00 28.51 O ATOM 414 H GLU A 880 7.649 -4.769 26.250 1.00 0.00 H ATOM 415 N THR A 881 5.870 -6.435 28.610 1.00 14.62 N ATOM 416 CA THR A 881 4.963 -6.729 29.722 1.00 14.34 C ATOM 417 C THR A 881 3.498 -6.860 29.312 1.00 13.88 C ATOM 418 O THR A 881 2.620 -6.976 30.171 1.00 14.07 O ATOM 419 CB THR A 881 5.056 -5.629 30.794 1.00 14.60 C ATOM 420 OG1 THR A 881 4.881 -4.340 30.185 1.00 15.37 O ATOM 421 CG2 THR A 881 6.401 -5.694 31.493 1.00 15.43 C ATOM 422 HG1 THR A 881 3.993 -4.300 29.750 1.00 0.00 H ATOM 423 H THR A 881 5.831 -5.489 28.179 1.00 0.00 H ATOM 424 N GLY A 882 3.236 -6.839 28.009 1.00 12.63 N ATOM 425 CA GLY A 882 1.867 -6.748 27.500 1.00 11.89 C ATOM 426 C GLY A 882 1.219 -8.076 27.156 1.00 11.66 C ATOM 427 O GLY A 882 1.867 -9.131 27.196 1.00 11.29 O ATOM 428 H GLY A 882 4.025 -6.889 27.333 1.00 0.00 H ATOM 429 N LEU A 883 -0.066 -8.014 26.817 1.00 11.00 N ATOM 430 CA LEU A 883 -0.843 -9.197 26.468 1.00 11.09 C ATOM 431 C LEU A 883 -0.321 -9.887 25.221 1.00 10.44 C ATOM 432 O LEU A 883 -0.261 -11.119 25.165 1.00 11.33 O ATOM 433 CB LEU A 883 -2.322 -8.850 26.265 1.00 12.29 C ATOM 434 CG LEU A 883 -3.205 -8.646 27.483 1.00 14.45 C ATOM 435 CD1 LEU A 883 -4.514 -8.086 26.987 1.00 15.51 C ATOM 436 CD2 LEU A 883 -3.417 -9.969 28.251 1.00 17.19 C ATOM 437 H LEU A 883 -0.534 -7.086 26.800 1.00 0.00 H ATOM 438 N ALA A 884 0.046 -9.112 24.204 1.00 9.80 N ATOM 439 CA ALA A 884 0.541 -9.717 22.976 1.00 9.54 C ATOM 440 C ALA A 884 1.777 -10.568 23.255 1.00 9.82 C ATOM 441 O ALA A 884 1.919 -11.661 22.718 1.00 9.73 O ATOM 442 CB ALA A 884 0.825 -8.654 21.927 1.00 9.44 C ATOM 443 H ALA A 884 -0.021 -8.077 24.286 1.00 0.00 H ATOM 444 N SER A 885 2.670 -10.058 24.103 1.00 9.90 N ATOM 445 CA SER A 885 3.860 -10.815 24.500 1.00 10.11 C ATOM 446 C SER A 885 3.470 -12.127 25.182 1.00 10.34 C ATOM 447 O SER A 885 4.003 -13.195 24.847 1.00 10.04 O ATOM 448 CB SER A 885 4.762 -9.971 25.400 1.00 10.51 C ATOM 449 OG SER A 885 5.912 -10.710 25.788 1.00 12.62 O ATOM 450 HG SER A 885 5.631 -11.520 26.283 1.00 0.00 H ATOM 451 H SER A 885 2.519 -9.105 24.490 1.00 0.00 H ATOM 452 N LYS A 886 2.512 -12.047 26.109 1.00 11.27 N ATOM 453 CA LYS A 886 2.050 -13.216 26.864 1.00 12.69 C ATOM 454 C LYS A 886 1.536 -14.294 25.925 1.00 12.53 C ATOM 455 O LYS A 886 1.705 -15.492 26.180 1.00 13.13 O ATOM 456 CB LYS A 886 0.921 -12.837 27.833 1.00 13.36 C ATOM 457 CG LYS A 886 1.255 -11.799 28.892 1.00 17.61 C ATOM 458 CD LYS A 886 0.171 -11.778 29.990 1.00 22.16 C ATOM 459 CE LYS A 886 -0.223 -10.353 30.421 1.00 24.00 C ATOM 460 NZ LYS A 886 0.885 -9.559 31.032 1.00 28.77 N ATOM 461 HZ1 LYS A 886 1.231 -10.047 31.883 1.00 0.00 H ATOM 462 HZ2 LYS A 886 1.661 -9.463 30.346 1.00 0.00 H ATOM 463 HZ3 LYS A 886 0.532 -8.616 31.291 1.00 0.00 H ATOM 464 H LYS A 886 2.078 -11.122 26.302 1.00 0.00 H ATOM 465 N LYS A 887 0.896 -13.848 24.845 1.00 12.37 N ATOM 466 CA LYS A 887 0.286 -14.718 23.858 1.00 12.49 C ATOM 467 C LYS A 887 1.268 -15.207 22.784 1.00 12.27 C ATOM 468 O LYS A 887 0.883 -15.909 21.845 1.00 13.02 O ATOM 469 CB LYS A 887 -0.907 -13.996 23.226 1.00 13.16 C ATOM 470 CG LYS A 887 -2.106 -13.852 24.138 1.00 14.11 C ATOM 471 CD LYS A 887 -2.711 -15.207 24.474 1.00 17.53 C ATOM 472 CE LYS A 887 -4.202 -15.092 24.695 1.00 20.81 C ATOM 473 NZ LYS A 887 -4.863 -16.424 24.638 1.00 22.95 N ATOM 474 HZ1 LYS A 887 -4.699 -16.851 23.704 1.00 0.00 H ATOM 475 HZ2 LYS A 887 -4.465 -17.039 25.377 1.00 0.00 H ATOM 476 HZ3 LYS A 887 -5.885 -16.309 24.793 1.00 0.00 H ATOM 477 H LYS A 887 0.830 -12.820 24.702 1.00 0.00 H ATOM 478 N GLY A 888 2.533 -14.824 22.912 1.00 11.40 N ATOM 479 CA GLY A 888 3.580 -15.350 22.036 1.00 10.29 C ATOM 480 C GLY A 888 3.787 -14.623 20.722 1.00 9.98 C ATOM 481 O GLY A 888 4.460 -15.145 19.830 1.00 10.67 O ATOM 482 H GLY A 888 2.785 -14.136 23.650 1.00 0.00 H ATOM 483 N LEU A 889 3.226 -13.423 20.596 1.00 9.03 N ATOM 484 CA LEU A 889 3.518 -12.586 19.443 1.00 9.02 C ATOM 485 C LEU A 889 4.970 -12.118 19.509 1.00 9.08 C ATOM 486 O LEU A 889 5.456 -11.742 20.578 1.00 9.22 O ATOM 487 CB LEU A 889 2.548 -11.399 19.361 1.00 8.59 C ATOM 488 CG LEU A 889 2.537 -10.686 18.003 1.00 8.33 C ATOM 489 CD1 LEU A 889 1.948 -11.566 16.900 1.00 9.89 C ATOM 490 CD2 LEU A 889 1.713 -9.433 18.138 1.00 8.97 C ATOM 491 H LEU A 889 2.573 -13.080 21.329 1.00 0.00 H ATOM 492 N LYS A 890 5.662 -12.174 18.370 1.00 8.75 N ATOM 493 CA LYS A 890 7.088 -11.838 18.301 1.00 8.92 C ATOM 494 C LYS A 890 7.324 -10.709 17.324 1.00 8.66 C ATOM 495 O LYS A 890 6.750 -10.710 16.234 1.00 8.76 O ATOM 496 CB LYS A 890 7.918 -13.041 17.838 1.00 9.25 C ATOM 497 CG LYS A 890 7.782 -14.286 18.697 1.00 11.96 C ATOM 498 CD LYS A 890 8.312 -14.059 20.101 1.00 15.34 C ATOM 499 CE LYS A 890 8.144 -15.308 20.961 1.00 18.28 C ATOM 500 NZ LYS A 890 8.315 -15.057 22.427 1.00 20.35 N ATOM 501 HZ1 LYS A 890 9.270 -14.684 22.605 1.00 0.00 H ATOM 502 HZ2 LYS A 890 7.607 -14.365 22.744 1.00 0.00 H ATOM 503 HZ3 LYS A 890 8.187 -15.948 22.947 1.00 0.00 H ATOM 504 H LYS A 890 5.173 -12.466 17.500 1.00 0.00 H ATOM 505 N ALA A 891 8.187 -9.766 17.698 1.00 8.73 N ATOM 506 CA ALA A 891 8.660 -8.757 16.744 1.00 9.00 C ATOM 507 C ALA A 891 9.286 -9.470 15.549 1.00 9.21 C ATOM 508 O ALA A 891 10.072 -10.412 15.727 1.00 10.06 O ATOM 509 CB ALA A 891 9.673 -7.840 17.389 1.00 9.59 C ATOM 510 H ALA A 891 8.530 -9.745 18.680 1.00 0.00 H ATOM 511 N GLY A 892 8.928 -9.031 14.341 1.00 8.67 N ATOM 512 CA GLY A 892 9.415 -9.655 13.105 1.00 9.08 C ATOM 513 C GLY A 892 8.505 -10.719 12.524 1.00 8.99 C ATOM 514 O GLY A 892 8.693 -11.112 11.370 1.00 10.36 O ATOM 515 H GLY A 892 8.282 -8.219 14.273 1.00 0.00 H ATOM 516 N ASP A 893 7.527 -11.188 13.313 1.00 8.63 N ATOM 517 CA ASP A 893 6.476 -12.070 12.774 1.00 7.67 C ATOM 518 C ASP A 893 5.833 -11.332 11.597 1.00 7.42 C ATOM 519 O ASP A 893 5.663 -10.115 11.642 1.00 7.57 O ATOM 520 CB ASP A 893 5.364 -12.363 13.797 1.00 8.29 C ATOM 521 CG ASP A 893 5.732 -13.438 14.835 1.00 9.41 C ATOM 522 OD1 ASP A 893 6.770 -14.126 14.705 1.00 10.69 O ATOM 523 OD2 ASP A 893 4.945 -13.588 15.804 1.00 10.40 O ATOM 524 H ASP A 893 7.510 -10.926 14.319 1.00 0.00 H ATOM 525 N GLU A 894 5.467 -12.066 10.555 1.00 7.05 N ATOM 526 CA GLU A 894 4.726 -11.463 9.453 1.00 6.91 C ATOM 527 C GLU A 894 3.234 -11.686 9.645 1.00 6.84 C ATOM 528 O GLU A 894 2.800 -12.816 9.808 1.00 7.11 O ATOM 529 CB GLU A 894 5.169 -12.048 8.118 1.00 7.15 C ATOM 530 CG GLU A 894 4.461 -11.359 6.952 1.00 8.99 C ATOM 531 CD GLU A 894 4.729 -11.985 5.607 1.00 11.85 C ATOM 532 OE1 GLU A 894 5.622 -12.852 5.519 1.00 15.03 O ATOM 533 OE2 GLU A 894 4.049 -11.589 4.632 1.00 12.07 O ATOM 534 H GLU A 894 5.710 -13.077 10.523 1.00 0.00 H ATOM 535 N ILE A 895 2.441 -10.618 9.626 1.00 6.50 N ATOM 536 CA ILE A 895 0.996 -10.781 9.787 1.00 7.09 C ATOM 537 C ILE A 895 0.398 -11.213 8.450 1.00 7.25 C ATOM 538 O ILE A 895 0.514 -10.497 7.453 1.00 8.02 O ATOM 539 CB ILE A 895 0.323 -9.494 10.303 1.00 6.84 C ATOM 540 CG1 ILE A 895 0.892 -9.116 11.678 1.00 8.39 C ATOM 541 CG2 ILE A 895 -1.192 -9.685 10.352 1.00 8.37 C ATOM 542 CD1 ILE A 895 0.527 -7.722 12.139 1.00 11.11 C ATOM 543 H ILE A 895 2.847 -9.669 9.497 1.00 0.00 H ATOM 544 N LEU A 896 -0.216 -12.394 8.424 1.00 7.71 N ATOM 545 CA LEU A 896 -0.808 -12.922 7.195 1.00 8.05 C ATOM 546 C LEU A 896 -2.290 -12.604 7.100 1.00 8.43 C ATOM 547 O LEU A 896 -2.816 -12.377 5.997 1.00 9.37 O ATOM 548 CB LEU A 896 -0.587 -14.430 7.094 1.00 8.18 C ATOM 549 CG LEU A 896 0.869 -14.888 7.128 1.00 8.34 C ATOM 550 CD1 LEU A 896 0.923 -16.398 6.993 1.00 11.11 C ATOM 551 CD2 LEU A 896 1.688 -14.201 6.049 1.00 10.12 C ATOM 552 H LEU A 896 -0.276 -12.954 9.298 1.00 0.00 H ATOM 553 N GLU A 897 -2.959 -12.604 8.254 1.00 8.75 N ATOM 554 CA GLU A 897 -4.392 -12.349 8.330 1.00 8.92 C ATOM 555 C GLU A 897 -4.730 -11.680 9.645 1.00 8.55 C ATOM 556 O GLU A 897 -4.079 -11.929 10.657 1.00 8.49 O ATOM 557 CB GLU A 897 -5.175 -13.659 8.234 1.00 9.52 C ATOM 558 CG GLU A 897 -5.004 -14.377 6.898 1.00 12.77 C ATOM 559 CD GLU A 897 -5.458 -15.817 6.905 1.00 15.59 C ATOM 560 OE1 GLU A 897 -6.354 -16.170 7.696 1.00 17.35 O ATOM 561 OE2 GLU A 897 -4.919 -16.595 6.084 1.00 17.08 O ATOM 562 H GLU A 897 -2.438 -12.793 9.134 1.00 0.00 H ATOM 563 N ILE A 898 -5.736 -10.817 9.626 1.00 8.32 N ATOM 564 CA ILE A 898 -6.326 -10.321 10.867 1.00 8.41 C ATOM 565 C ILE A 898 -7.820 -10.550 10.744 1.00 8.98 C ATOM 566 O ILE A 898 -8.420 -10.174 9.742 1.00 8.75 O ATOM 567 CB ILE A 898 -6.037 -8.824 11.148 1.00 8.06 C ATOM 568 CG1 ILE A 898 -4.528 -8.569 11.177 1.00 8.54 C ATOM 569 CG2 ILE A 898 -6.663 -8.399 12.489 1.00 7.74 C ATOM 570 CD1 ILE A 898 -4.149 -7.156 11.539 1.00 9.00 C ATOM 571 H ILE A 898 -6.111 -10.488 8.714 1.00 0.00 H ATOM 572 N ASN A 899 -8.405 -11.184 11.758 1.00 9.61 N ATOM 573 CA ASN A 899 -9.845 -11.454 11.774 1.00 11.00 C ATOM 574 C ASN A 899 -10.357 -12.071 10.467 1.00 12.05 C ATOM 575 O ASN A 899 -11.345 -11.609 9.891 1.00 12.77 O ATOM 576 CB ASN A 899 -10.625 -10.177 12.130 1.00 10.67 C ATOM 577 CG ASN A 899 -10.286 -9.639 13.520 1.00 10.42 C ATOM 578 OD1 ASN A 899 -9.797 -10.365 14.382 1.00 11.44 O ATOM 579 ND2 ASN A 899 -10.574 -8.367 13.745 1.00 11.33 N ATOM 580 HD22 ASN A 899 -10.987 -7.786 12.988 1.00 0.00 H ATOM 581 HD21 ASN A 899 -10.387 -7.949 14.679 1.00 0.00 H ATOM 582 H ASN A 899 -7.823 -11.496 12.562 1.00 0.00 H ATOM 583 N ASN A 900 -9.662 -13.101 9.997 1.00 13.43 N ATOM 584 CA ASN A 900 -10.103 -13.888 8.823 1.00 14.70 C ATOM 585 C ASN A 900 -9.942 -13.159 7.485 1.00 14.52 C ATOM 586 O ASN A 900 -10.478 -13.596 6.465 1.00 15.51 O ATOM 587 CB ASN A 900 -11.561 -14.383 8.995 1.00 15.42 C ATOM 588 CG ASN A 900 -11.789 -15.114 10.317 1.00 17.76 C ATOM 589 OD1 ASN A 900 -12.481 -14.611 11.210 1.00 20.35 O ATOM 590 ND2 ASN A 900 -11.192 -16.291 10.453 1.00 20.26 N ATOM 591 HD22 ASN A 900 -10.619 -16.676 9.675 1.00 0.00 H ATOM 592 HD21 ASN A 900 -11.297 -16.828 11.337 1.00 0.00 H ATOM 593 H ASN A 900 -8.775 -13.364 10.472 1.00 0.00 H ATOM 594 N ARG A 901 -9.211 -12.049 7.485 1.00 13.62 N ATOM 595 CA ARG A 901 -8.996 -11.286 6.260 1.00 13.09 C ATOM 596 C ARG A 901 -7.517 -11.200 5.962 1.00 11.98 C ATOM 597 O ARG A 901 -6.711 -10.960 6.870 1.00 11.73 O ATOM 598 CB ARG A 901 -9.563 -9.879 6.411 1.00 13.19 C ATOM 599 CG ARG A 901 -11.069 -9.857 6.422 1.00 15.75 C ATOM 600 CD ARG A 901 -11.569 -8.450 6.561 1.00 19.04 C ATOM 601 NE ARG A 901 -13.027 -8.400 6.480 1.00 22.02 N ATOM 602 CZ ARG A 901 -13.718 -8.094 5.383 1.00 23.09 C ATOM 603 NH1 ARG A 901 -13.094 -7.795 4.243 1.00 23.40 N ATOM 604 NH2 ARG A 901 -15.047 -8.081 5.427 1.00 23.91 N ATOM 605 HE ARG A 901 -13.565 -8.620 7.342 1.00 0.00 H ATOM 606 HH12 ARG A 901 -13.647 -7.558 3.394 1.00 0.00 H ATOM 607 HH11 ARG A 901 -12.055 -7.799 4.203 1.00 0.00 H ATOM 608 HH22 ARG A 901 -15.593 -7.843 4.575 1.00 0.00 H ATOM 609 HH21 ARG A 901 -15.540 -8.309 6.314 1.00 0.00 H ATOM 610 H ARG A 901 -8.785 -11.718 8.374 1.00 0.00 H ATOM 611 N ALA A 902 -7.166 -11.377 4.690 1.00 10.89 N ATOM 612 CA ALA A 902 -5.783 -11.299 4.241 1.00 10.56 C ATOM 613 C ALA A 902 -5.168 -9.936 4.535 1.00 10.70 C ATOM 614 O ALA A 902 -5.798 -8.912 4.328 1.00 9.76 O ATOM 615 CB ALA A 902 -5.702 -11.601 2.753 1.00 10.95 C ATOM 616 H ALA A 902 -7.908 -11.579 3.990 1.00 0.00 H ATOM 617 N ALA A 903 -3.926 -9.939 5.003 1.00 11.10 N ATOM 618 CA ALA A 903 -3.229 -8.711 5.367 1.00 11.93 C ATOM 619 C ALA A 903 -3.144 -7.713 4.217 1.00 12.90 C ATOM 620 O ALA A 903 -3.278 -6.499 4.438 1.00 13.34 O ATOM 621 CB ALA A 903 -1.852 -9.041 5.877 1.00 12.12 C ATOM 622 H ALA A 903 -3.433 -10.848 5.114 1.00 0.00 H ATOM 623 N ASP A 904 -2.927 -8.208 2.997 1.00 13.49 N ATOM 624 CA ASP A 904 -2.849 -7.302 1.843 1.00 14.66 C ATOM 625 C ASP A 904 -4.202 -6.694 1.458 1.00 14.28 C ATOM 626 O ASP A 904 -4.251 -5.758 0.668 1.00 15.61 O ATOM 627 CB ASP A 904 -2.126 -7.922 0.633 1.00 15.84 C ATOM 628 CG ASP A 904 -2.835 -9.149 0.061 1.00 19.36 C ATOM 629 OD1 ASP A 904 -3.930 -9.532 0.525 1.00 23.01 O ATOM 630 OD2 ASP A 904 -2.268 -9.745 -0.879 1.00 24.38 O ATOM 631 H ASP A 904 -2.813 -9.233 2.863 1.00 0.00 H ATOM 632 N ALA A 905 -5.281 -7.220 2.036 1.00 12.61 N ATOM 633 CA ALA A 905 -6.637 -6.693 1.808 1.00 12.13 C ATOM 634 C ALA A 905 -7.072 -5.738 2.920 1.00 11.79 C ATOM 635 O ALA A 905 -8.222 -5.293 2.958 1.00 13.11 O ATOM 636 CB ALA A 905 -7.633 -7.825 1.661 1.00 12.32 C ATOM 637 H ALA A 905 -5.161 -8.034 2.672 1.00 0.00 H ATOM 638 N LEU A 906 -6.134 -5.403 3.802 1.00 11.10 N ATOM 639 CA LEU A 906 -6.412 -4.523 4.930 1.00 10.58 C ATOM 640 C LEU A 906 -5.905 -3.113 4.687 1.00 10.31 C ATOM 641 O LEU A 906 -4.727 -2.907 4.366 1.00 12.05 O ATOM 642 CB LEU A 906 -5.777 -5.071 6.215 1.00 10.25 C ATOM 643 CG LEU A 906 -6.276 -6.431 6.707 1.00 10.75 C ATOM 644 CD1 LEU A 906 -5.448 -6.931 7.877 1.00 11.86 C ATOM 645 CD2 LEU A 906 -7.739 -6.339 7.088 1.00 12.84 C ATOM 646 H LEU A 906 -5.172 -5.781 3.683 1.00 0.00 H ATOM 647 N ASN A 907 -6.793 -2.138 4.832 1.00 10.19 N ATOM 648 CA ASN A 907 -6.393 -0.735 4.766 1.00 9.86 C ATOM 649 C ASN A 907 -6.363 -0.121 6.166 1.00 10.16 C ATOM 650 O ASN A 907 -6.725 -0.785 7.141 1.00 10.51 O ATOM 651 CB ASN A 907 -7.277 0.065 3.793 1.00 9.83 C ATOM 652 CG ASN A 907 -8.741 0.043 4.172 1.00 10.12 C ATOM 653 OD1 ASN A 907 -9.088 0.170 5.333 1.00 10.57 O ATOM 654 ND2 ASN A 907 -9.607 -0.077 3.179 1.00 12.14 N ATOM 655 HD22 ASN A 907 -9.267 -0.183 2.202 1.00 0.00 H ATOM 656 HD21 ASN A 907 -10.628 -0.065 3.375 1.00 0.00 H ATOM 657 H ASN A 907 -7.792 -2.377 4.996 1.00 0.00 H ATOM 658 N SER A 908 -5.918 1.129 6.267 1.00 11.02 N ATOM 659 CA SER A 908 -5.763 1.785 7.567 1.00 11.83 C ATOM 660 C SER A 908 -7.093 1.921 8.330 1.00 11.49 C ATOM 661 O SER A 908 -7.122 1.819 9.555 1.00 11.42 O ATOM 662 CB SER A 908 -5.094 3.154 7.405 1.00 12.39 C ATOM 663 OG SER A 908 -5.903 3.983 6.590 1.00 15.73 O ATOM 664 HG SER A 908 -6.014 3.562 5.701 1.00 0.00 H ATOM 665 H SER A 908 -5.674 1.653 5.402 1.00 0.00 H ATOM 666 N SER A 909 -8.197 2.133 7.617 1.00 11.50 N ATOM 667 CA SER A 909 -9.492 2.256 8.286 1.00 11.22 C ATOM 668 C SER A 909 -9.889 0.938 8.919 1.00 10.66 C ATOM 669 O SER A 909 -10.402 0.908 10.042 1.00 10.53 O ATOM 670 CB SER A 909 -10.578 2.708 7.319 1.00 11.72 C ATOM 671 OG SER A 909 -10.274 3.990 6.811 1.00 13.42 O ATOM 672 HG SER A 909 -9.407 3.958 6.334 1.00 0.00 H ATOM 673 H SER A 909 -8.139 2.211 6.582 1.00 0.00 H ATOM 674 N MET A 910 -9.649 -0.154 8.194 1.00 9.98 N ATOM 675 CA MET A 910 -9.945 -1.493 8.706 1.00 9.32 C ATOM 676 C MET A 910 -9.065 -1.813 9.908 1.00 9.34 C ATOM 677 O MET A 910 -9.536 -2.353 10.905 1.00 9.43 O ATOM 678 CB MET A 910 -9.749 -2.546 7.618 1.00 9.56 C ATOM 679 CG MET A 910 -10.713 -2.409 6.462 1.00 10.29 C ATOM 680 SD MET A 910 -10.178 -3.451 5.119 1.00 14.64 S ATOM 681 CE MET A 910 -10.895 -5.013 5.599 1.00 16.33 C ATOM 682 H MET A 910 -9.242 -0.053 7.242 1.00 0.00 H ATOM 683 N LEU A 911 -7.789 -1.449 9.822 1.00 9.61 N ATOM 684 CA LEU A 911 -6.862 -1.685 10.927 1.00 9.65 C ATOM 685 C LEU A 911 -7.306 -0.945 12.193 1.00 10.05 C ATOM 686 O LEU A 911 -7.342 -1.538 13.277 1.00 10.22 O ATOM 687 CB LEU A 911 -5.439 -1.298 10.526 1.00 9.99 C ATOM 688 CG LEU A 911 -4.791 -2.241 9.504 1.00 10.02 C ATOM 689 CD1 LEU A 911 -3.452 -1.666 9.039 1.00 12.73 C ATOM 690 CD2 LEU A 911 -4.612 -3.643 10.062 1.00 11.78 C ATOM 691 H LEU A 911 -7.445 -0.989 8.955 1.00 0.00 H ATOM 692 N LYS A 912 -7.666 0.329 12.054 1.00 10.45 N ATOM 693 CA LYS A 912 -8.184 1.114 13.188 1.00 10.88 C ATOM 694 C LYS A 912 -9.421 0.456 13.789 1.00 10.66 C ATOM 695 O LYS A 912 -9.532 0.312 15.015 1.00 10.96 O ATOM 696 CB LYS A 912 -8.542 2.535 12.760 1.00 11.62 C ATOM 697 CG LYS A 912 -7.357 3.391 12.446 1.00 12.95 C ATOM 698 CD LYS A 912 -7.821 4.780 12.075 1.00 16.02 C ATOM 699 CE LYS A 912 -6.797 5.463 11.197 1.00 17.71 C ATOM 700 NZ LYS A 912 -7.227 6.843 10.878 1.00 20.78 N ATOM 701 HZ1 LYS A 912 -8.138 6.814 10.377 1.00 0.00 H ATOM 702 HZ2 LYS A 912 -7.332 7.384 11.760 1.00 0.00 H ATOM 703 HZ3 LYS A 912 -6.512 7.297 10.274 1.00 0.00 H ATOM 704 H LYS A 912 -7.579 0.781 11.122 1.00 0.00 H ATOM 705 N ASP A 913 -10.361 0.077 12.927 1.00 10.24 N ATOM 706 CA ASP A 913 -11.554 -0.624 13.373 1.00 10.49 C ATOM 707 C ASP A 913 -11.210 -1.888 14.163 1.00 9.66 C ATOM 708 O ASP A 913 -11.636 -2.039 15.304 1.00 9.85 O ATOM 709 CB ASP A 913 -12.449 -0.971 12.188 1.00 10.90 C ATOM 710 CG ASP A 913 -13.792 -1.494 12.618 1.00 13.99 C ATOM 711 OD1 ASP A 913 -14.629 -0.675 13.036 1.00 17.67 O ATOM 712 OD2 ASP A 913 -14.006 -2.720 12.533 1.00 20.59 O ATOM 713 H ASP A 913 -10.240 0.286 11.915 1.00 0.00 H ATOM 714 N PHE A 914 -10.422 -2.773 13.559 1.00 8.99 N ATOM 715 CA PHE A 914 -10.089 -4.049 14.184 1.00 8.29 C ATOM 716 C PHE A 914 -9.300 -3.862 15.475 1.00 7.99 C ATOM 717 O PHE A 914 -9.558 -4.544 16.473 1.00 7.94 O ATOM 718 CB PHE A 914 -9.267 -4.934 13.238 1.00 8.21 C ATOM 719 CG PHE A 914 -10.013 -5.446 12.028 1.00 9.07 C ATOM 720 CD1 PHE A 914 -11.387 -5.276 11.879 1.00 11.72 C ATOM 721 CD2 PHE A 914 -9.324 -6.134 11.045 1.00 10.39 C ATOM 722 CE1 PHE A 914 -12.042 -5.763 10.758 1.00 14.38 C ATOM 723 CE2 PHE A 914 -9.980 -6.630 9.922 1.00 11.90 C ATOM 724 CZ PHE A 914 -11.333 -6.443 9.778 1.00 14.12 C ATOM 725 H PHE A 914 -10.034 -2.551 12.620 1.00 0.00 H ATOM 726 N LEU A 915 -8.339 -2.937 15.468 1.00 7.88 N ATOM 727 CA LEU A 915 -7.438 -2.809 16.612 1.00 7.26 C ATOM 728 C LEU A 915 -8.118 -2.169 17.819 1.00 7.18 C ATOM 729 O LEU A 915 -7.681 -2.364 18.954 1.00 7.84 O ATOM 730 CB LEU A 915 -6.177 -2.034 16.237 1.00 7.37 C ATOM 731 CG LEU A 915 -5.226 -2.726 15.271 1.00 7.75 C ATOM 732 CD1 LEU A 915 -4.142 -1.735 14.870 1.00 8.82 C ATOM 733 CD2 LEU A 915 -4.617 -3.978 15.917 1.00 9.97 C ATOM 734 H LEU A 915 -8.231 -2.306 14.648 1.00 0.00 H ATOM 735 N SER A 916 -9.221 -1.464 17.574 1.00 7.29 N ATOM 736 CA SER A 916 -9.967 -0.803 18.642 1.00 7.45 C ATOM 737 C SER A 916 -10.888 -1.767 19.387 1.00 7.50 C ATOM 738 O SER A 916 -11.450 -1.398 20.401 1.00 7.91 O ATOM 739 CB SER A 916 -10.787 0.374 18.096 1.00 7.92 C ATOM 740 OG SER A 916 -11.928 -0.081 17.394 1.00 9.02 O ATOM 741 HG SER A 916 -11.642 -0.648 16.634 1.00 0.00 H ATOM 742 H SER A 916 -9.561 -1.382 16.595 1.00 0.00 H ATOM 743 N GLN A 917 -11.036 -2.990 18.876 1.00 7.26 N ATOM 744 CA GLN A 917 -11.911 -4.003 19.500 1.00 7.73 C ATOM 745 C GLN A 917 -11.262 -4.661 20.712 1.00 7.93 C ATOM 746 O GLN A 917 -10.038 -4.688 20.803 1.00 8.22 O ATOM 747 CB GLN A 917 -12.261 -5.081 18.484 1.00 8.34 C ATOM 748 CG GLN A 917 -13.060 -4.580 17.288 1.00 9.15 C ATOM 749 CD GLN A 917 -14.545 -4.461 17.572 1.00 10.87 C ATOM 750 OE1 GLN A 917 -14.984 -4.514 18.723 1.00 12.36 O ATOM 751 NE2 GLN A 917 -15.329 -4.308 16.512 1.00 12.42 N ATOM 752 HE22 GLN A 917 -14.914 -4.269 15.559 1.00 0.00 H ATOM 753 HE21 GLN A 917 -16.359 -4.227 16.634 1.00 0.00 H ATOM 754 H GLN A 917 -10.518 -3.239 18.009 1.00 0.00 H ATOM 755 N PRO A 918 -12.077 -5.207 21.635 1.00 7.69 N ATOM 756 CA PRO A 918 -11.547 -5.889 22.823 1.00 8.21 C ATOM 757 C PRO A 918 -11.137 -7.327 22.583 1.00 8.85 C ATOM 758 O PRO A 918 -10.611 -7.967 23.496 1.00 10.50 O ATOM 759 CB PRO A 918 -12.710 -5.822 23.813 1.00 8.06 C ATOM 760 CG PRO A 918 -13.900 -5.832 22.949 1.00 7.74 C ATOM 761 CD PRO A 918 -13.532 -4.990 21.750 1.00 8.10 C ATOM 762 N SER A 919 -11.365 -7.836 21.378 1.00 9.28 N ATOM 763 CA SER A 919 -10.708 -9.079 20.982 1.00 9.79 C ATOM 764 C SER A 919 -10.160 -8.990 19.564 1.00 9.30 C ATOM 765 O SER A 919 -10.634 -8.203 18.745 1.00 9.56 O ATOM 766 CB SER A 919 -11.595 -10.299 21.177 1.00 10.90 C ATOM 767 OG SER A 919 -12.617 -10.348 20.224 1.00 13.52 O ATOM 768 HG SER A 919 -13.178 -9.536 20.302 1.00 0.00 H ATOM 769 H SER A 919 -12.008 -7.352 20.719 1.00 0.00 H ATOM 770 N LEU A 920 -9.158 -9.814 19.296 1.00 8.62 N ATOM 771 CA LEU A 920 -8.398 -9.718 18.063 1.00 8.22 C ATOM 772 C LEU A 920 -7.887 -11.098 17.697 1.00 8.43 C ATOM 773 O LEU A 920 -7.394 -11.833 18.560 1.00 8.80 O ATOM 774 CB LEU A 920 -7.222 -8.765 18.286 1.00 8.51 C ATOM 775 CG LEU A 920 -6.312 -8.393 17.130 1.00 8.50 C ATOM 776 CD1 LEU A 920 -7.011 -7.552 16.082 1.00 9.81 C ATOM 777 CD2 LEU A 920 -5.127 -7.604 17.697 1.00 9.71 C ATOM 778 H LEU A 920 -8.909 -10.550 19.988 1.00 0.00 H ATOM 779 N GLY A 921 -8.027 -11.444 16.423 1.00 8.36 N ATOM 780 CA GLY A 921 -7.488 -12.682 15.872 1.00 8.75 C ATOM 781 C GLY A 921 -6.385 -12.357 14.893 1.00 8.58 C ATOM 782 O GLY A 921 -6.565 -11.515 14.007 1.00 8.82 O ATOM 783 H GLY A 921 -8.545 -10.803 15.789 1.00 0.00 H ATOM 784 N LEU A 922 -5.243 -13.021 15.062 1.00 8.66 N ATOM 785 CA LEU A 922 -4.090 -12.823 14.183 1.00 8.65 C ATOM 786 C LEU A 922 -3.624 -14.161 13.658 1.00 8.71 C ATOM 787 O LEU A 922 -3.586 -15.142 14.400 1.00 9.49 O ATOM 788 CB LEU A 922 -2.932 -12.182 14.943 1.00 9.13 C ATOM 789 CG LEU A 922 -3.148 -10.820 15.595 1.00 9.33 C ATOM 790 CD1 LEU A 922 -1.953 -10.463 16.467 1.00 11.79 C ATOM 791 CD2 LEU A 922 -3.391 -9.747 14.536 1.00 10.94 C ATOM 792 H LEU A 922 -5.168 -13.702 15.844 1.00 0.00 H ATOM 793 N LEU A 923 -3.279 -14.199 12.378 1.00 8.15 N ATOM 794 CA LEU A 923 -2.525 -15.325 11.840 1.00 7.74 C ATOM 795 C LEU A 923 -1.194 -14.757 11.389 1.00 7.54 C ATOM 796 O LEU A 923 -1.155 -13.880 10.519 1.00 8.18 O ATOM 797 CB LEU A 923 -3.259 -16.024 10.687 1.00 8.18 C ATOM 798 CG LEU A 923 -2.440 -17.149 10.043 1.00 8.70 C ATOM 799 CD1 LEU A 923 -2.482 -18.378 10.918 1.00 9.54 C ATOM 800 CD2 LEU A 923 -2.889 -17.461 8.610 1.00 11.65 C ATOM 801 H LEU A 923 -3.550 -13.416 11.750 1.00 0.00 H ATOM 802 N VAL A 924 -0.108 -15.262 11.976 1.00 7.11 N ATOM 803 CA VAL A 924 1.224 -14.734 11.672 1.00 7.16 C ATOM 804 C VAL A 924 2.142 -15.846 11.187 1.00 7.32 C ATOM 805 O VAL A 924 2.011 -16.993 11.610 1.00 7.50 O ATOM 806 CB VAL A 924 1.878 -14.000 12.882 1.00 7.56 C ATOM 807 CG1 VAL A 924 1.006 -12.842 13.362 1.00 8.39 C ATOM 808 CG2 VAL A 924 2.188 -14.955 14.024 1.00 8.29 C ATOM 809 H VAL A 924 -0.208 -16.041 12.658 1.00 0.00 H ATOM 810 N ARG A 925 3.063 -15.511 10.289 1.00 7.37 N ATOM 811 CA ARG A 925 4.179 -16.404 10.029 1.00 7.94 C ATOM 812 C ARG A 925 5.247 -16.102 11.073 1.00 8.17 C ATOM 813 O ARG A 925 5.631 -14.954 11.267 1.00 7.68 O ATOM 814 CB ARG A 925 4.760 -16.223 8.628 1.00 8.56 C ATOM 815 CG ARG A 925 5.969 -17.122 8.451 1.00 9.81 C ATOM 816 CD ARG A 925 6.579 -17.080 7.101 1.00 13.16 C ATOM 817 NE ARG A 925 7.738 -17.969 7.068 1.00 13.15 N ATOM 818 CZ ARG A 925 8.577 -18.072 6.047 1.00 15.55 C ATOM 819 NH1 ARG A 925 9.602 -18.906 6.131 1.00 15.94 N ATOM 820 NH2 ARG A 925 8.390 -17.346 4.951 1.00 18.72 N ATOM 821 HE ARG A 925 7.917 -18.562 7.903 1.00 0.00 H ATOM 822 HH12 ARG A 925 10.267 -18.995 5.336 1.00 0.00 H ATOM 823 HH11 ARG A 925 9.743 -19.472 6.992 1.00 0.00 H ATOM 824 HH22 ARG A 925 9.051 -17.430 4.152 1.00 0.00 H ATOM 825 HH21 ARG A 925 7.583 -16.693 4.891 1.00 0.00 H ATOM 826 H ARG A 925 2.985 -14.611 9.773 1.00 0.00 H ATOM 827 N THR A 926 5.728 -17.141 11.742 1.00 8.75 N ATOM 828 CA THR A 926 6.680 -16.974 12.826 1.00 10.08 C ATOM 829 C THR A 926 7.904 -17.852 12.601 1.00 10.88 C ATOM 830 O THR A 926 7.795 -18.940 12.029 1.00 11.06 O ATOM 831 CB THR A 926 6.000 -17.206 14.204 1.00 10.08 C ATOM 832 OG1 THR A 926 6.912 -16.867 15.256 1.00 11.64 O ATOM 833 CG2 THR A 926 5.498 -18.628 14.354 1.00 9.70 C ATOM 834 HG1 THR A 926 7.170 -15.915 15.173 1.00 0.00 H ATOM 835 H THR A 926 5.416 -18.099 11.484 1.00 0.00 H ATOM 836 N TYR A 927 9.067 -17.358 13.017 1.00 12.07 N ATOM 837 CA TYR A 927 10.344 -17.994 12.697 1.00 13.41 C ATOM 838 C TYR A 927 10.965 -18.591 13.949 1.00 14.18 C ATOM 839 O TYR A 927 10.926 -17.967 15.003 1.00 14.70 O ATOM 840 CB TYR A 927 11.299 -16.964 12.088 1.00 13.29 C ATOM 841 CG TYR A 927 10.836 -16.429 10.747 1.00 14.16 C ATOM 842 CD1 TYR A 927 9.885 -15.402 10.662 1.00 14.28 C ATOM 843 CD2 TYR A 927 11.349 -16.950 9.566 1.00 15.54 C ATOM 844 CE1 TYR A 927 9.451 -14.927 9.426 1.00 15.77 C ATOM 845 CE2 TYR A 927 10.934 -16.481 8.333 1.00 16.56 C ATOM 846 CZ TYR A 927 9.991 -15.470 8.266 1.00 16.98 C ATOM 847 OH TYR A 927 9.590 -15.017 7.033 1.00 19.17 O ATOM 848 HH TYR A 927 10.373 -14.661 6.543 1.00 0.00 H ATOM 849 H TYR A 927 9.068 -16.490 13.589 1.00 0.00 H ATOM 850 N PRO A 928 11.522 -19.765 13.857 1.00 15.23 N ATOM 851 CA PRO A 928 12.335 -20.244 14.959 1.00 16.18 C ATOM 852 C PRO A 928 13.334 -19.149 15.354 1.00 17.21 C ATOM 853 O PRO A 928 13.862 -18.599 14.504 1.00 17.34 O ATOM 854 CB PRO A 928 13.006 -21.490 14.390 1.00 16.15 C ATOM 855 CG PRO A 928 12.098 -21.923 13.282 1.00 16.48 C ATOM 856 CD PRO A 928 11.433 -20.714 12.760 1.00 15.84 C ATOM 857 N GLU A 929 13.604 -18.933 16.628 1.00 18.77 N ATOM 858 CA GLU A 929 14.587 -17.927 17.043 1.00 20.60 C ATOM 859 C GLU A 929 15.975 -18.270 16.729 1.00 21.00 C ATOM 860 O GLU A 929 16.769 -17.396 16.551 1.00 21.58 O ATOM 861 CB GLU A 929 14.557 -17.663 18.514 1.00 21.05 C ATOM 862 CG GLU A 929 13.467 -16.665 18.856 1.00 24.64 C ATOM 863 CD GLU A 929 13.398 -16.319 20.335 1.00 28.79 C ATOM 864 OE1 GLU A 929 14.130 -16.921 21.138 1.00 30.88 O ATOM 865 OE2 GLU A 929 12.608 -15.417 20.638 1.00 31.52 O ATOM 866 H GLU A 929 13.108 -19.489 17.354 1.00 0.00 H ATOM 867 N LEU A 930 16.274 -19.540 16.682 1.00 21.30 N ATOM 868 CA LEU A 930 17.592 -19.977 16.407 1.00 21.85 C ATOM 869 C LEU A 930 17.511 -21.094 15.410 1.00 22.33 C ATOM 870 O LEU A 930 16.562 -21.799 15.446 1.00 23.21 O ATOM 871 CB LEU A 930 18.240 -20.479 17.700 1.00 20.00 C ATOM 872 CG LEU A 930 19.240 -19.554 18.361 1.00 20.00 C ATOM 873 CD1 LEU A 930 20.047 -20.117 19.509 1.00 20.00 C ATOM 874 CD2 LEU A 930 20.025 -18.579 17.524 1.00 20.00 C ATOM 875 H LEU A 930 15.528 -20.245 16.850 1.00 0.00 H TER 876 LEU A 930 HETATM 877 NA NA A 1 12.295 2.882 10.368 1.00 18.65 NA HETATM 878 O HOH 2 -5.988 -12.686 26.081 1.00 21.72 O HETATM 879 O HOH 3 -8.143 -1.920 21.650 1.00 13.70 O HETATM 880 O HOH 4 1.998 -9.791 5.174 1.00 9.50 O HETATM 881 O HOH 5 2.783 -7.209 24.497 1.00 9.63 O HETATM 882 O HOH 6 8.116 -19.613 9.444 1.00 11.35 O HETATM 883 O HOH 7 -11.232 -2.325 23.180 1.00 11.36 O HETATM 884 O HOH 8 6.955 -24.337 4.171 1.00 12.91 O HETATM 885 O HOH 9 9.245 -14.596 14.103 1.00 18.28 O HETATM 886 O HOH 10 -16.945 -5.274 20.411 1.00 9.93 O HETATM 887 O HOH 11 -10.596 -7.095 16.303 1.00 11.39 O HETATM 888 O HOH 12 -1.782 -21.372 12.511 1.00 12.93 O HETATM 889 O HOH 13 -9.319 -11.636 2.738 1.00 18.68 O HETATM 890 O HOH 14 4.243 -15.746 17.083 1.00 16.07 O HETATM 891 O HOH 15 0.398 -9.847 2.807 1.00 27.32 O HETATM 892 O HOH 16 7.481 -6.347 1.921 1.00 20.25 O HETATM 893 O HOH 17 -10.522 -7.490 3.552 1.00 26.06 O HETATM 894 O HOH 18 -4.032 -17.566 21.206 1.00 19.45 O HETATM 895 O HOH 19 9.180 -8.273 -2.001 1.00 20.64 O HETATM 896 O HOH 20 -1.381 -5.602 27.679 1.00 19.23 O HETATM 897 O HOH 21 -13.304 -8.023 16.698 1.00 21.18 O HETATM 898 O HOH 22 2.150 -10.302 0.782 1.00 35.82 O HETATM 899 O HOH 23 6.405 -13.626 2.730 1.00 36.97 O HETATM 900 O HOH 24 10.530 -20.373 8.729 1.00 19.71 O HETATM 901 O HOH 25 -7.427 -5.974 29.665 1.00 22.34 O HETATM 902 O HOH 26 -11.386 4.357 28.489 1.00 17.73 O HETATM 903 O HOH 27 9.963 -6.609 2.886 1.00 22.40 O HETATM 904 O HOH 28 -9.385 -1.636 32.963 1.00 19.43 O HETATM 905 O HOH 29 4.577 3.183 -2.989 1.00 13.88 O HETATM 906 O HOH 30 -12.416 6.023 26.646 1.00 17.62 O HETATM 907 O HOH 31 -1.912 -11.111 2.382 1.00 25.17 O HETATM 908 O HOH 32 -17.190 -3.914 22.799 1.00 16.29 O HETATM 909 O HOH 33 9.495 -10.092 20.255 1.00 12.64 O HETATM 910 O HOH 34 -14.611 -4.919 13.798 1.00 28.98 O HETATM 911 O HOH 35 -4.930 -5.116 28.328 1.00 22.23 O HETATM 912 O HOH 36 -16.162 -7.800 21.112 1.00 14.97 O HETATM 913 O HOH 37 1.388 -7.446 -2.252 1.00 19.05 O HETATM 914 O HOH 38 17.145 -23.660 13.422 1.00 16.80 O HETATM 915 O HOH 39 9.617 -5.774 12.325 1.00 21.87 O HETATM 916 O HOH 40 -13.966 -7.939 19.621 1.00 16.13 O HETATM 917 O HOH 41 3.678 -10.090 29.308 1.00 22.43 O HETATM 918 O HOH 42 -11.485 5.614 10.077 1.00 26.80 O HETATM 919 O HOH 43 -12.185 5.363 23.831 1.00 18.57 O HETATM 920 O HOH 44 -10.874 -6.970 33.211 1.00 51.20 O HETATM 921 O HOH 45 6.097 -13.197 22.761 1.00 19.29 O HETATM 922 O HOH 46 0.129 -3.417 27.034 1.00 19.40 O HETATM 923 O HOH 47 2.524 -3.961 28.907 1.00160.13 O HETATM 924 O HOH 48 18.790 -24.343 10.337 1.00 21.90 O HETATM 925 O HOH 49 -3.511 -18.773 25.239 1.00 25.94 O HETATM 926 O HOH 50 11.444 -11.506 18.005 1.00 28.20 O HETATM 927 O HOH 51 -17.868 -0.660 23.017 1.00 21.42 O HETATM 928 O HOH 52 13.138 -20.526 9.352 1.00 22.60 O HETATM 929 O HOH 53 14.189 -15.908 14.012 1.00 30.81 O HETATM 930 O HOH 54 -8.391 3.456 4.721 1.00 31.60 O HETATM 931 O HOH 55 9.739 -16.216 16.645 1.00 36.63 O HETATM 932 O HOH 56 15.341 -22.530 11.266 1.00 27.73 O HETATM 933 O HOH 57 8.624 -3.203 11.319 1.00 24.09 O HETATM 934 O HOH 58 10.600 -17.185 3.168 1.00 20.45 O HETATM 935 O HOH 59 3.189 -4.255 -7.835 1.00 36.53 O HETATM 936 O HOH 60 17.903 -23.695 7.657 1.00 24.99 O HETATM 937 O HOH 61 7.511 -17.627 23.292 1.00 36.78 O HETATM 938 O HOH 62 -12.060 -10.965 17.050 1.00 31.13 O HETATM 939 O HOH 63 -6.227 6.218 27.101 1.00 26.70 O HETATM 940 O HOH 64 6.535 2.310 0.574 1.00 30.39 O HETATM 941 O HOH 65 -11.310 -12.786 15.621 1.00 36.79 O HETATM 942 O HOH 66 5.521 -11.632 28.241 1.00 23.78 O HETATM 943 O HOH 67 -7.734 -4.373 32.945 1.00 46.09 O HETATM 944 O HOH 68 8.344 -10.109 24.496 1.00 27.76 O HETATM 945 O HOH 69 1.149 -1.767 29.105 1.00 23.80 O HETATM 946 O HOH 70 7.709 -10.983 22.007 1.00 28.09 O HETATM 947 O HOH 71 1.494 -6.935 -4.916 1.00 32.41 O HETATM 948 O HOH 72 -13.350 -9.591 9.126 1.00 37.95 O HETATM 949 O HOH 73 10.953 -12.769 14.337 1.00 32.08 O HETATM 950 O HOH 74 5.613 -6.600 -8.238 1.00 39.83 O HETATM 951 O HOH 75 15.190 -8.747 -0.317 1.00 35.53 O HETATM 952 O HOH 76 3.570 -12.411 1.957 1.00 32.00 O HETATM 953 O HOH 77 0.798 -10.027 -1.628 1.00 27.02 O HETATM 954 O HOH 78 9.162 -3.772 -8.290 1.00 32.74 O HETATM 955 O HOH 79 11.748 -15.409 5.068 1.00 32.41 O HETATM 956 O HOH 80 -13.249 -7.183 31.248 1.00 32.80 O HETATM 957 O HOH 81 5.654 -14.489 28.439 1.00 27.07 O HETATM 958 O HOH 82 -3.853 -3.442 30.773 1.00 35.94 O HETATM 959 O HOH 83 -9.827 -14.648 17.084 1.00 23.06 O HETATM 960 O HOH 84 12.508 -12.282 11.750 1.00 32.18 O HETATM 961 O HOH 85 2.073 -11.654 -3.552 1.00 28.85 O HETATM 962 O HOH 86 -15.871 -10.735 9.486 1.00 39.67 O HETATM 963 O HOH 87 14.807 -9.728 -2.800 1.00 39.52 O HETATM 964 O HOH 88 5.355 -13.519 0.196 1.00 32.60 O HETATM 965 O HOH 89 12.181 -8.607 -3.239 1.00 30.67 O HETATM 966 O HOH 90 -11.897 2.965 10.998 1.00 22.31 O HETATM 967 O HOH 91 -5.733 -0.645 22.559 1.00 9.15 O HETATM 968 O HOH 92 11.230 -0.925 1.827 1.00 15.99 O HETATM 969 O HOH 93 1.094 7.160 6.919 1.00 20.00 O HETATM 970 O HOH 94 7.424 0.632 2.440 1.00 27.92 O HETATM 971 O HOH 95 -1.952 0.301 5.862 1.00 38.93 O HETATM 972 O HOH 96 -2.995 5.992 6.894 1.00 26.98 O HETATM 973 O HOH 97 6.092 2.669 18.080 1.00 42.04 O HETATM 974 N THR A 98 12.014 1.080 3.711 1.00 0.24 N HETATM 975 CA THR A 98 11.170 2.088 4.409 1.00 0.09 C HETATM 976 C THR A 98 9.866 1.430 4.795 1.00 0.23 C HETATM 977 O THR A 98 9.437 0.461 4.166 1.00 -0.39 O HETATM 978 N THR A 98 9.256 1.947 5.849 1.00 -0.26 N HETATM 979 CA THR A 98 7.919 1.529 6.233 1.00 0.13 C HETATM 980 C THR A 98 6.960 2.601 5.755 1.00 0.20 C HETATM 981 O THR A 98 7.281 3.793 5.770 1.00 -0.39 O HETATM 982 N THR A 98 5.787 2.174 5.307 1.00 -0.26 N HETATM 983 CA THR A 98 4.764 3.113 4.871 1.00 0.13 C HETATM 984 C THR A 98 4.203 3.812 6.093 1.00 0.20 C HETATM 985 O THR A 98 4.013 5.038 6.108 1.00 -0.39 O HETATM 986 N THR A 98 3.950 3.021 7.127 1.00 -0.26 N HETATM 987 CA THR A 98 3.311 3.525 8.328 1.00 0.13 C HETATM 988 C THR A 98 3.198 2.407 9.327 1.00 0.20 C HETATM 989 O THR A 98 3.583 1.263 9.065 1.00 -0.39 O HETATM 990 N THR A 98 2.588 2.754 10.448 1.00 -0.26 N HETATM 991 CA THR A 98 2.688 1.979 11.639 1.00 0.13 C HETATM 992 C THR A 98 1.474 2.262 12.493 1.00 0.20 C HETATM 993 O THR A 98 1.036 3.406 12.587 1.00 -0.39 O HETATM 994 N THR A 98 0.928 1.206 13.098 1.00 -0.26 N HETATM 995 CA THR A 98 -0.157 1.343 14.071 1.00 0.14 C HETATM 996 C THR A 98 0.164 0.557 15.318 1.00 0.21 C HETATM 997 O THR A 98 0.832 -0.468 15.248 1.00 -0.39 O HETATM 998 N THR A 98 -0.347 1.031 16.454 1.00 -0.26 N HETATM 999 CA THR A 98 -0.201 0.344 17.736 1.00 0.15 C HETATM 1000 C THR A 98 -1.554 0.224 18.416 1.00 0.21 C HETATM 1001 O THR A 98 -2.423 1.089 18.268 1.00 -0.39 O HETATM 1002 N THR A 98 -1.737 -0.864 19.150 1.00 -0.27 N HETATM 1003 CA THR A 98 -2.915 -0.981 20.008 1.00 0.09 C HETATM 1004 C THR A 98 -2.650 -1.867 21.209 1.00 0.06 C HETATM 1005 O THR A 98 -3.551 -2.094 22.038 1.00 -0.57 O HETATM 1006 OXT THR A 98 -1.527 -2.371 21.357 1.00 -0.57 O HETATM 1007 CB THR A 98 -4.122 -1.475 19.210 1.00 -0.03 C HETATM 1008 H62 THR A 98 -4.994 -1.555 19.876 1.00 0.03 H HETATM 1009 H63 THR A 98 -3.898 -2.462 18.779 1.00 0.03 H HETATM 1010 H64 THR A 98 -4.343 -0.763 18.401 1.00 0.03 H HETATM 1011 H61 THR A 98 -3.153 0.025 20.385 1.00 0.07 H HETATM 1012 H60 THR A 98 -1.068 -1.607 19.117 1.00 0.19 H HETATM 1013 CB THR A 98 0.820 1.075 18.626 1.00 0.04 C HETATM 1014 CG THR A 98 0.704 0.801 20.117 1.00 -0.00 C HETATM 1015 CD1 THR A 98 1.641 0.011 20.783 1.00 -0.02 C HETATM 1016 CE1 THR A 98 1.538 -0.225 22.154 1.00 0.01 C HETATM 1017 CZ THR A 98 0.499 0.345 22.886 1.00 0.17 C HETATM 1018 CE2 THR A 98 -0.438 1.133 22.239 1.00 0.01 C HETATM 1019 CD2 THR A 98 -0.324 1.374 20.874 1.00 -0.02 C HETATM 1020 H57 THR A 98 -1.046 2.019 20.387 1.00 0.07 H HETATM 1021 H59 THR A 98 -1.262 1.563 22.797 1.00 0.07 H HETATM 1022 OH THR A 98 0.386 0.114 24.119 1.00 -0.20 O HETATM 1023 P THR A 98 0.727 1.183 25.291 1.00 0.13 P HETATM 1024 O1P THR A 98 -0.081 2.399 24.984 1.00 -0.67 O HETATM 1025 O2P THR A 98 2.238 1.457 25.286 1.00 -0.67 O HETATM 1026 O3P THR A 98 0.196 0.607 26.596 1.00 -0.67 O HETATM 1027 H58 THR A 98 2.268 -0.853 22.651 1.00 0.07 H HETATM 1028 H56 THR A 98 2.462 -0.426 20.227 1.00 0.07 H HETATM 1029 H54 THR A 98 0.693 2.156 18.469 1.00 0.06 H HETATM 1030 H55 THR A 98 1.828 0.774 18.304 1.00 0.06 H HETATM 1031 H53 THR A 98 0.178 -0.671 17.545 1.00 0.08 H HETATM 1032 H52 THR A 98 -0.852 1.894 16.428 1.00 0.19 H HETATM 1033 CB THR A 98 -1.498 0.848 13.500 1.00 0.02 C HETATM 1034 CG THR A 98 -2.063 1.726 12.418 1.00 -0.04 C HETATM 1035 CD1 THR A 98 -2.905 2.794 12.743 1.00 -0.06 C HETATM 1036 CE1 THR A 98 -3.447 3.614 11.745 1.00 -0.07 C HETATM 1037 CZ THR A 98 -3.132 3.375 10.408 1.00 -0.07 C HETATM 1038 CE2 THR A 98 -2.294 2.304 10.070 1.00 -0.07 C HETATM 1039 CD2 THR A 98 -1.767 1.486 11.081 1.00 -0.06 C HETATM 1040 H48 THR A 98 -1.121 0.657 10.816 1.00 0.06 H HETATM 1041 H50 THR A 98 -2.054 2.108 9.031 1.00 0.06 H HETATM 1042 H51 THR A 98 -3.534 4.016 9.632 1.00 0.06 H HETATM 1043 H49 THR A 98 -4.108 4.431 12.011 1.00 0.06 H HETATM 1044 H47 THR A 98 -3.142 2.990 13.783 1.00 0.06 H HETATM 1045 H45 THR A 98 -2.227 0.799 14.322 1.00 0.05 H HETATM 1046 H46 THR A 98 -1.346 -0.159 13.084 1.00 0.05 H HETATM 1047 H44 THR A 98 -0.257 2.406 14.334 1.00 0.08 H HETATM 1048 H43 THR A 98 1.271 0.292 12.880 1.00 0.19 H HETATM 1049 CB THR A 98 3.928 2.476 12.352 1.00 -0.00 C HETATM 1050 CG THR A 98 4.527 1.583 13.335 1.00 0.00 C HETATM 1051 CD THR A 98 5.942 2.031 13.632 1.00 0.04 C HETATM 1052 OE1 THR A 98 6.107 2.795 14.602 1.00 -0.57 O HETATM 1053 OE2 THR A 98 6.872 1.662 12.872 1.00 -0.57 O HETATM 1054 H41 THR A 98 4.544 0.558 12.936 1.00 0.04 H HETATM 1055 H42 THR A 98 3.934 1.607 14.261 1.00 0.04 H HETATM 1056 H39 THR A 98 3.662 3.409 12.870 1.00 0.03 H HETATM 1057 H40 THR A 98 4.690 2.686 11.586 1.00 0.03 H HETATM 1058 H38 THR A 98 2.763 0.905 11.414 1.00 0.08 H HETATM 1059 H37 THR A 98 2.038 3.589 10.460 1.00 0.19 H HETATM 1060 CB THR A 98 1.912 4.054 8.024 1.00 -0.00 C HETATM 1061 CG THR A 98 0.915 2.972 7.624 1.00 0.00 C HETATM 1062 CD THR A 98 -0.342 3.569 7.037 1.00 0.04 C HETATM 1063 OE1 THR A 98 -0.992 2.881 6.218 1.00 -0.57 O HETATM 1064 OE2 THR A 98 -0.666 4.732 7.378 1.00 -0.57 O HETATM 1065 H35 THR A 98 0.649 2.384 8.515 1.00 0.04 H HETATM 1066 H36 THR A 98 1.382 2.314 6.876 1.00 0.04 H HETATM 1067 H33 THR A 98 1.987 4.778 7.199 1.00 0.03 H HETATM 1068 H34 THR A 98 1.531 4.561 8.923 1.00 0.03 H HETATM 1069 H32 THR A 98 3.922 4.337 8.749 1.00 0.08 H HETATM 1070 H31 THR A 98 4.205 2.055 7.078 1.00 0.19 H HETATM 1071 CB THR A 98 3.637 2.380 4.154 1.00 0.00 C HETATM 1072 CG THR A 98 3.964 1.889 2.759 1.00 0.04 C HETATM 1073 CD THR A 98 2.770 1.206 2.090 1.00 0.17 C HETATM 1074 OE1 THR A 98 1.979 0.514 2.749 1.00 -0.40 O HETATM 1075 NE2 THR A 98 2.638 1.393 0.775 1.00 -0.30 N HETATM 1076 H29 THR A 98 1.876 0.971 0.284 1.00 0.18 H HETATM 1077 H30 THR A 98 3.301 1.955 0.281 1.00 0.18 H HETATM 1078 H27 THR A 98 4.793 1.169 2.822 1.00 0.05 H HETATM 1079 H28 THR A 98 4.270 2.748 2.144 1.00 0.05 H HETATM 1080 H25 THR A 98 2.780 3.065 4.080 1.00 0.03 H HETATM 1081 H26 THR A 98 3.358 1.508 4.764 1.00 0.03 H HETATM 1082 H24 THR A 98 5.210 3.853 4.190 1.00 0.08 H HETATM 1083 H23 THR A 98 5.603 1.192 5.268 1.00 0.19 H HETATM 1084 CB THR A 98 7.798 1.386 7.743 1.00 -0.01 C HETATM 1085 CG THR A 98 8.865 0.557 8.432 1.00 -0.04 C HETATM 1086 CD THR A 98 8.786 0.858 9.922 1.00 -0.01 C HETATM 1087 CE THR A 98 9.814 0.114 10.708 1.00 -0.04 C HETATM 1088 NZ THR A 98 9.839 0.636 12.110 1.00 0.22 N HETATM 1089 H20 THR A 98 10.533 0.135 12.643 1.00 0.20 H HETATM 1090 H21 THR A 98 8.933 0.507 12.533 1.00 0.20 H HETATM 1091 H22 THR A 98 10.068 1.617 12.099 1.00 0.20 H HETATM 1092 H18 THR A 98 10.802 0.255 10.246 1.00 0.08 H HETATM 1093 H19 THR A 98 9.564 -0.957 10.719 1.00 0.08 H HETATM 1094 H16 THR A 98 7.788 0.574 10.287 1.00 0.03 H HETATM 1095 H17 THR A 98 8.938 1.937 10.073 1.00 0.03 H HETATM 1096 H14 THR A 98 9.859 0.828 8.046 1.00 0.03 H HETATM 1097 H15 THR A 98 8.682 -0.513 8.255 1.00 0.03 H HETATM 1098 H12 THR A 98 6.824 0.922 7.958 1.00 0.03 H HETATM 1099 H13 THR A 98 7.827 2.396 8.178 1.00 0.03 H HETATM 1100 H11 THR A 98 7.680 0.567 5.756 1.00 0.08 H HETATM 1101 H10 THR A 98 9.726 2.641 6.394 1.00 0.19 H HETATM 1102 CB THR A 98 10.904 3.298 3.508 1.00 0.11 C HETATM 1103 OG1 THR A 98 10.455 2.836 2.227 1.00 -0.38 O HETATM 1104 H6 THR A 98 10.288 3.582 1.663 1.00 0.21 H HETATM 1105 CG2 THR A 98 12.184 4.100 3.329 1.00 -0.03 C HETATM 1106 H7 THR A 98 11.986 4.967 2.681 1.00 0.03 H HETATM 1107 H8 THR A 98 12.953 3.465 2.866 1.00 0.03 H HETATM 1108 H9 THR A 98 12.539 4.449 4.310 1.00 0.03 H HETATM 1109 H5 THR A 98 10.132 3.935 3.964 1.00 0.07 H HETATM 1110 H4 THR A 98 11.689 2.429 5.317 1.00 0.11 H HETATM 1111 H1 THR A 98 12.175 0.295 4.323 1.00 0.20 H HETATM 1112 H2 THR A 98 12.897 1.497 3.460 1.00 0.20 H HETATM 1113 H3 THR A 98 11.542 0.765 2.878 1.00 0.20 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 974 975 1111 1112 1113 CONECT 975 974 976 1102 1110 CONECT 976 975 977 978 CONECT 977 976 CONECT 978 976 979 1101 CONECT 979 978 980 1084 1100 CONECT 980 979 981 982 CONECT 981 980 CONECT 982 980 983 1083 CONECT 983 982 984 1071 1082 CONECT 984 983 985 986 CONECT 985 984 CONECT 986 984 987 1070 CONECT 987 986 988 1060 1069 CONECT 988 987 989 990 CONECT 989 988 CONECT 990 988 991 1059 CONECT 991 990 992 1049 1058 CONECT 992 991 993 994 CONECT 993 992 CONECT 994 992 995 1048 CONECT 995 994 996 1033 1047 CONECT 996 995 997 998 CONECT 997 996 CONECT 998 996 999 1032 CONECT 999 998 1000 1013 1031 CONECT 1000 999 1001 1002 CONECT 1001 1000 CONECT 1002 1000 1003 1012 CONECT 1003 1002 1004 1007 1011 CONECT 1004 1003 1005 1006 CONECT 1005 1004 CONECT 1006 1004 CONECT 1007 1003 1008 1009 1010 CONECT 1008 1007 CONECT 1009 1007 CONECT 1010 1007 CONECT 1011 1003 CONECT 1012 1002 CONECT 1013 999 1014 1029 1030 CONECT 1014 1013 1015 1019 CONECT 1015 1014 1016 1028 CONECT 1016 1015 1017 1027 CONECT 1017 1016 1018 1022 CONECT 1018 1017 1019 1021 CONECT 1019 1014 1018 1020 CONECT 1020 1019 CONECT 1021 1018 CONECT 1022 1017 1023 CONECT 1023 1022 1024 1025 1026 CONECT 1024 1023 CONECT 1025 1023 CONECT 1026 1023 CONECT 1027 1016 CONECT 1028 1015 CONECT 1029 1013 CONECT 1030 1013 CONECT 1031 999 CONECT 1032 998 CONECT 1033 995 1034 1045 1046 CONECT 1034 1033 1035 1039 CONECT 1035 1034 1036 1044 CONECT 1036 1035 1037 1043 CONECT 1037 1036 1038 1042 CONECT 1038 1037 1039 1041 CONECT 1039 1034 1038 1040 CONECT 1040 1039 CONECT 1041 1038 CONECT 1042 1037 CONECT 1043 1036 CONECT 1044 1035 CONECT 1045 1033 CONECT 1046 1033 CONECT 1047 995 CONECT 1048 994 CONECT 1049 991 1050 1056 1057 CONECT 1050 1049 1051 1054 1055 CONECT 1051 1050 1052 1053 CONECT 1052 1051 CONECT 1053 1051 CONECT 1054 1050 CONECT 1055 1050 CONECT 1056 1049 CONECT 1057 1049 CONECT 1058 991 CONECT 1059 990 CONECT 1060 987 1061 1067 1068 CONECT 1061 1060 1062 1065 1066 CONECT 1062 1061 1063 1064 CONECT 1063 1062 CONECT 1064 1062 CONECT 1065 1061 CONECT 1066 1061 CONECT 1067 1060 CONECT 1068 1060 CONECT 1069 987 CONECT 1070 986 CONECT 1071 983 1072 1080 1081 CONECT 1072 1071 1073 1078 1079 CONECT 1073 1072 1074 1075 CONECT 1074 1073 CONECT 1075 1073 1076 1077 CONECT 1076 1075 CONECT 1077 1075 CONECT 1078 1072 CONECT 1079 1072 CONECT 1080 1071 CONECT 1081 1071 CONECT 1082 983 CONECT 1083 982 CONECT 1084 979 1085 1098 1099 CONECT 1085 1084 1086 1096 1097 CONECT 1086 1085 1087 1094 1095 CONECT 1087 1086 1088 1092 1093 CONECT 1088 1087 1089 1090 1091 CONECT 1089 1088 CONECT 1090 1088 CONECT 1091 1088 CONECT 1092 1087 CONECT 1093 1087 CONECT 1094 1086 CONECT 1095 1086 CONECT 1096 1085 CONECT 1097 1085 CONECT 1098 1084 CONECT 1099 1084 CONECT 1100 979 CONECT 1101 978 CONECT 1102 975 1103 1105 1109 CONECT 1103 1102 1104 CONECT 1104 1103 CONECT 1105 1102 1106 1107 1108 CONECT 1106 1105 CONECT 1107 1105 CONECT 1108 1105 CONECT 1109 1102 CONECT 1110 975 CONECT 1111 974 CONECT 1112 974 CONECT 1113 974 MASTER 0 0 0 0 0 0 0 0 1112 1 144 8 END
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Related entries of code: 4gvc
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3kze
RCSB PDB
PDBbind
94aa, >3KZE_1|Chains... *
4gvd
RCSB PDB
PDBbind
94aa, >4GVD_1|Chains... at 100%
4nxq
RCSB PDB
PDBbind
94aa, >4NXQ_1|Chains... at 95%
4nxr
RCSB PDB
PDBbind
94aa, >4NXR_1|Chain... at 95%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1fo0
RCSB PDB
PDBbind
8-mer
1fzj
RCSB PDB
PDBbind
8-mer
1fzm
RCSB PDB
PDBbind
8-mer
1g6r
RCSB PDB
PDBbind
8-mer
1g7q
RCSB PDB
PDBbind
8-mer
1leg
RCSB PDB
PDBbind
8-mer
1lek
RCSB PDB
PDBbind
8-mer
1nlp
RCSB PDB
PDBbind
8-mer
1nzl
RCSB PDB
PDBbind
8-mer
1nzv
RCSB PDB
PDBbind
8-mer
1obx
RCSB PDB
PDBbind
8-mer
1okx
RCSB PDB
PDBbind
8-mer
1p2g
RCSB PDB
PDBbind
8-mer
1pig
RCSB PDB
PDBbind
8-mer
1pz5
RCSB PDB
PDBbind
8-mer
1qja
RCSB PDB
PDBbind
8-mer
1qjb
RCSB PDB
PDBbind
8-mer
1qr3
RCSB PDB
PDBbind
8-mer
1sle
RCSB PDB
PDBbind
8-mer
1tps
RCSB PDB
PDBbind
8-mer
2c1n
RCSB PDB
PDBbind
8-mer
2clv
RCSB PDB
PDBbind
8-mer
2er0
RCSB PDB
PDBbind
8-mer
2er9
RCSB PDB
PDBbind
8-mer
2fo4
RCSB PDB
PDBbind
8-mer
2h6k
RCSB PDB
PDBbind
8-mer
2kbs
RCSB PDB
PDBbind
8-mer
2qbw
RCSB PDB
PDBbind
8-mer
2r03
RCSB PDB
PDBbind
8-mer
2r9b
RCSB PDB
PDBbind
8-mer
2rly
RCSB PDB
PDBbind
8-mer
2rt5
RCSB PDB
PDBbind
8-mer
2v88
RCSB PDB
PDBbind
8-mer
2w16
RCSB PDB
PDBbind
8-mer
2w3o
RCSB PDB
PDBbind
8-mer
2ynn
RCSB PDB
PDBbind
8-mer
2zpk
RCSB PDB
PDBbind
8-mer
3agm
RCSB PDB
PDBbind
8-mer
3av9
RCSB PDB
PDBbind
8-mer
3ava
RCSB PDB
PDBbind
8-mer
3avb
RCSB PDB
PDBbind
8-mer
3avf
RCSB PDB
PDBbind
8-mer
3avg
RCSB PDB
PDBbind
8-mer
3avh
RCSB PDB
PDBbind
8-mer
3avi
RCSB PDB
PDBbind
8-mer
3avj
RCSB PDB
PDBbind
8-mer
3avk
RCSB PDB
PDBbind
8-mer
3avl
RCSB PDB
PDBbind
8-mer
3avm
RCSB PDB
PDBbind
8-mer
3avn
RCSB PDB
PDBbind
8-mer
3drf
RCSB PDB
PDBbind
8-mer
3ds9
RCSB PDB
PDBbind
8-mer
3eyu
RCSB PDB
PDBbind
8-mer
3h85
RCSB PDB
PDBbind
8-mer
3i91
RCSB PDB
PDBbind
8-mer
3jvk
RCSB PDB
PDBbind
8-mer
3kze
RCSB PDB
PDBbind
8-mer
3muk
RCSB PDB
PDBbind
8-mer
3n5e
RCSB PDB
PDBbind
8-mer
3nf3
RCSB PDB
PDBbind
8-mer
3omc
RCSB PDB
PDBbind
8-mer
3omg
RCSB PDB
PDBbind
8-mer
3p9l
RCSB PDB
PDBbind
8-mer
3p9m
RCSB PDB
PDBbind
8-mer
3pab
RCSB PDB
PDBbind
8-mer
3qg6
RCSB PDB
PDBbind
8-mer
3rdv
RCSB PDB
PDBbind
8-mer
3rwh
RCSB PDB
PDBbind
8-mer
3rwj
RCSB PDB
PDBbind
8-mer
3unn
RCSB PDB
PDBbind
8-mer
3uqp
RCSB PDB
PDBbind
8-mer
3uri
RCSB PDB
PDBbind
8-mer
3uyr
RCSB PDB
PDBbind
8-mer
3zev
RCSB PDB
PDBbind
8-mer
3zvy
RCSB PDB
PDBbind
8-mer
3zyr
RCSB PDB
PDBbind
8-mer
4aa1
RCSB PDB
PDBbind
8-mer
4aph
RCSB PDB
PDBbind
8-mer
4apr
RCSB PDB
PDBbind
8-mer
4dv9
RCSB PDB
PDBbind
8-mer
4e67
RCSB PDB
PDBbind
8-mer
4eoy
RCSB PDB
PDBbind
8-mer
4ep2
RCSB PDB
PDBbind
8-mer
4eqj
RCSB PDB
PDBbind
8-mer
4ezr
RCSB PDB
PDBbind
8-mer
4fmo
RCSB PDB
PDBbind
8-mer
4fn5
RCSB PDB
PDBbind
8-mer
4gpk
RCSB PDB
PDBbind
8-mer
4gvd
RCSB PDB
PDBbind
8-mer
4gvu
RCSB PDB
PDBbind
8-mer
4h36
RCSB PDB
PDBbind
8-mer
4h75
RCSB PDB
PDBbind
8-mer
4ii9
RCSB PDB
PDBbind
8-mer
4jiz
RCSB PDB
PDBbind
8-mer
4lkl
RCSB PDB
PDBbind
8-mer
4lkm
RCSB PDB
PDBbind
8-mer
4mji
RCSB PDB
PDBbind
8-mer
4nxq
RCSB PDB
PDBbind
8-mer
4nxr
RCSB PDB
PDBbind
8-mer
4o2f
RCSB PDB
PDBbind
8-mer
4rxh
RCSB PDB
PDBbind
8-mer
4y7r
RCSB PDB
PDBbind
8-mer
4ysi
RCSB PDB
PDBbind
8-mer
5d7e
RCSB PDB
PDBbind
8-mer
5e2q
RCSB PDB
PDBbind
8-mer
5elq
RCSB PDB
PDBbind
8-mer
5em9
RCSB PDB
PDBbind
8-mer
5ema
RCSB PDB
PDBbind
8-mer
5emb
RCSB PDB
PDBbind
8-mer
5fjx
RCSB PDB
PDBbind
8-mer
5fpi
RCSB PDB
PDBbind
8-mer
5gmv
RCSB PDB
PDBbind
8-mer
5hjb
RCSB PDB
PDBbind
8-mer
5i25
RCSB PDB
PDBbind
8-mer
5iok
RCSB PDB
PDBbind
8-mer
5iql
RCSB PDB
PDBbind
8-mer
5jjm
RCSB PDB
PDBbind
8-mer
5mgx
RCSB PDB
PDBbind
8-mer
5n70
RCSB PDB
PDBbind
8-mer
5svi
RCSB PDB
PDBbind
8-mer
5sxm
RCSB PDB
PDBbind
8-mer
5t6p
RCSB PDB
PDBbind
8-mer
5t78
RCSB PDB
PDBbind
8-mer
5teg
RCSB PDB
PDBbind
8-mer
5tkj
RCSB PDB
PDBbind
8-mer
5tkk
RCSB PDB
PDBbind
8-mer
5vwi
RCSB PDB
PDBbind
8-mer
5vwk
RCSB PDB
PDBbind
8-mer
5wou
RCSB PDB
PDBbind
8-mer
5wtt
RCSB PDB
PDBbind
8-mer
5xjm
RCSB PDB
PDBbind
8-mer
5xn3
RCSB PDB
PDBbind
8-mer
5yba
RCSB PDB
PDBbind
8-mer
6cdm
RCSB PDB
PDBbind
8-mer
6cdo
RCSB PDB
PDBbind
8-mer
6cdp
RCSB PDB
PDBbind
8-mer
6e86
RCSB PDB
PDBbind
8-mer
6eww
RCSB PDB
PDBbind
8-mer
6fau
RCSB PDB
PDBbind
8-mer
6fav
RCSB PDB
PDBbind
8-mer
6faw
RCSB PDB
PDBbind
8-mer
6fbw
RCSB PDB
PDBbind
8-mer
6fby
RCSB PDB
PDBbind
8-mer
6fel
RCSB PDB
PDBbind
8-mer
6fi4
RCSB PDB
PDBbind
8-mer
6fi5
RCSB PDB
PDBbind
8-mer
6fmp
RCSB PDB
PDBbind
8-mer
6fx1
RCSB PDB
PDBbind
8-mer
6hpg
RCSB PDB
PDBbind
8-mer
6min
RCSB PDB
PDBbind
8-mer
6miq
RCSB PDB
PDBbind
8-mer
6q3q
RCSB PDB
PDBbind
8-mer
6r0x
RCSB PDB
PDBbind
8-mer
6qk8
RCSB PDB
PDBbind
8-mer
6q4q
RCSB PDB
PDBbind
8-mer
6mtv
RCSB PDB
PDBbind
8-mer
6mtu
RCSB PDB
PDBbind
8-mer
6ms1
RCSB PDB
PDBbind
8-mer
6mqe
RCSB PDB
PDBbind
8-mer
6mqc
RCSB PDB
PDBbind
8-mer
6jax
RCSB PDB
PDBbind
8-mer
6hmt
RCSB PDB
PDBbind
8-mer
6hhp
RCSB PDB
PDBbind
8-mer
6dtn
RCSB PDB
PDBbind
8-mer
6dql
RCSB PDB
PDBbind
8-mer
6do1
RCSB PDB
PDBbind
8-mer
Entry Information
PDB ID
4gvc
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
T-cell Lymphoma Invasion and Metastasis-1 PDZ
Ligand Name
8-mer
EC.Number
E.C.-.-.-.-
Resolution
1.54(Å)
Affinity (Kd/Ki/IC50)
Kd=19.3uM
Release Year
2013
Protein/NA Sequence
Check fasta file
Primary Reference
(2013) Structure Vol. 21: pp. 342-354
Ligand Properties
Formula
C
4
6
H
7
0
N
1
0
O
1
9
P
Molecular Weight
1098.080
Exact Mass
1097.460
No. of atoms
146
No. of bonds
147
Polar Surface Area
517.71
LOGP Value
-4.97 (
Computed with XLOGP3
)
-2.16 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 11
No. of Hydrogen Bond Acceptors: 18
No. of Rotatable Bonds: 39
No. of Nitrogen and Oxygen Atoms: 29
No. of Rings: 2
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)Cc1ccc(cc1)OP(O)(O)O)Cc1ccccc1)CCC(=O)O)CCC(=O)O)CCC(=O)N)NC(=O)[C@H]([C@H](O)C)[NH3+]
InChI String
InChI=1S/C46H69N10O19P/c1-24(46(70)71)50-43(67)33(23-27-11-13-28(14-12-27)75-76(72,73)74)56-44(68)34(22-26-8-4-3-5-9-26)55-42(66)32(17-20-37(61)62)53-41(65)31(16-19-36(59)60)52-40(64)30(15-18-35(48)58)51-39(63)29(10-6-7-21-47)54-45(69)38(49)25(2)57/h3-5,8-9,11-14,24-25,29-34,38,57,72-74,76H,6-7,10,15-23,47,49H2,1-2H3,(H2,48,58)(H,50,67)(H,51,63)(H,52,64)(H,53,65)(H,54,69)(H,55,66)(H,56,68)(H,59,60)(H,61,62)(H,70,71)/p+2/t24-,25+,29-,30-,31-,32-,33-,34-,38-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P18827
Q13009
Entrez Gene ID
NCBI Entrez Gene ID:
6382
7074
ASD
Information of known allosteric effects of PDB entries
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