Browse entries in the PDBbind-CN Database
HEADER 5TQS_COMPLEX COMPND 5TQS_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 101 GLY SER HIS MET HIS GLU SER LYS GLU TRP TYR HIS ALA SEQRES 2 A 101 SER LEU THR ARG ALA GLN ALA GLU HIS MET LEU MET ARG SEQRES 3 A 101 VAL PRO ARG ASP GLY ALA PHE LEU VAL ARG LYS ARG ASN SEQRES 4 A 101 GLU PRO ASN SER TYR ALA ILE SER PHE ARG ALA GLU GLY SEQRES 5 A 101 LYS ILE LYS HIS CYS ARG VAL GLN GLN GLU GLY GLN THR SEQRES 6 A 101 VAL MET LEU GLY ASN SER GLU PHE ASP SER LEU VAL ASP SEQRES 7 A 101 LEU ILE SER TYR TYR GLU LYS HIS PRO LEU TYR ARG LYS SEQRES 8 A 101 MET LYS LEU ARG TYR PRO ILE ASN GLU GLU HET LEU A 172 108 ATOM 1 N GLY A 659 -1.564 -2.760 -39.649 1.00 56.13 N ATOM 2 CA GLY A 659 -1.349 -2.214 -38.320 1.00 59.11 C ATOM 3 C GLY A 659 -2.082 -2.985 -37.234 1.00 64.42 C ATOM 4 O GLY A 659 -2.409 -4.164 -37.413 1.00 63.51 O ATOM 5 HN3 GLY A 659 -2.579 -2.734 -39.873 1.00 0.00 H ATOM 6 HN2 GLY A 659 -1.227 -3.743 -39.677 1.00 0.00 H ATOM 7 HN1 GLY A 659 -1.039 -2.192 -40.345 1.00 0.00 H ATOM 8 N SER A 660 -2.327 -2.324 -36.101 1.00 48.01 N ATOM 9 CA SER A 660 -3.033 -2.963 -34.999 1.00 46.69 C ATOM 10 C SER A 660 -4.409 -3.427 -35.449 1.00 41.07 C ATOM 11 O SER A 660 -5.070 -2.784 -36.269 1.00 45.81 O ATOM 12 CB SER A 660 -3.176 -1.999 -33.818 1.00 46.87 C ATOM 13 OG SER A 660 -4.297 -2.334 -32.997 1.00 32.11 O ATOM 14 HG SER A 660 -4.358 -1.692 -32.246 1.00 0.00 H ATOM 15 H SER A 660 -2.009 -1.339 -36.004 1.00 0.00 H ATOM 16 N HIS A 661 -4.844 -4.553 -34.885 1.00 34.56 N ATOM 17 CA HIS A 661 -6.158 -5.115 -35.159 1.00 38.03 C ATOM 18 C HIS A 661 -7.075 -5.056 -33.944 1.00 31.09 C ATOM 19 O HIS A 661 -8.112 -5.720 -33.929 1.00 26.35 O ATOM 20 CB HIS A 661 -6.016 -6.563 -35.633 1.00 43.97 C ATOM 21 CG HIS A 661 -5.256 -6.705 -36.913 1.00 56.19 C ATOM 22 ND1 HIS A 661 -5.864 -6.648 -38.149 1.00 57.95 N ATOM 23 CD2 HIS A 661 -3.936 -6.892 -37.152 1.00 61.85 C ATOM 24 CE1 HIS A 661 -4.952 -6.797 -39.093 1.00 61.08 C ATOM 25 NE2 HIS A 661 -3.773 -6.946 -38.514 1.00 65.15 N ATOM 26 H HIS A 661 -4.218 -5.051 -34.221 1.00 0.00 H ATOM 27 N MET A 662 -6.717 -4.291 -32.917 1.00 28.14 N ATOM 28 CA MET A 662 -7.487 -4.346 -31.686 1.00 27.04 C ATOM 29 C MET A 662 -8.884 -3.745 -31.840 1.00 24.00 C ATOM 30 O MET A 662 -9.724 -3.955 -30.965 1.00 25.36 O ATOM 31 CB MET A 662 -6.725 -3.639 -30.564 1.00 35.44 C ATOM 32 CG MET A 662 -5.378 -4.294 -30.190 1.00 38.99 C ATOM 33 SD MET A 662 -5.490 -6.050 -29.734 1.00 38.33 S ATOM 34 CE MET A 662 -6.699 -5.997 -28.426 1.00 32.09 C ATOM 35 H MET A 662 -5.894 -3.660 -32.994 1.00 0.00 H ATOM 36 N HIS A 663 -9.144 -2.988 -32.910 1.00 21.11 N ATOM 37 CA HIS A 663 -10.478 -2.443 -33.160 1.00 17.52 C ATOM 38 C HIS A 663 -11.480 -3.509 -33.581 1.00 20.91 C ATOM 39 O HIS A 663 -12.689 -3.254 -33.550 1.00 17.94 O ATOM 40 CB HIS A 663 -10.409 -1.379 -34.243 1.00 18.31 C ATOM 41 CG HIS A 663 -9.819 -1.880 -35.521 1.00 19.78 C ATOM 42 ND1 HIS A 663 -8.458 -1.958 -35.729 1.00 26.27 N ATOM 43 CD2 HIS A 663 -10.400 -2.363 -36.643 1.00 16.76 C ATOM 44 CE1 HIS A 663 -8.229 -2.448 -36.933 1.00 24.61 C ATOM 45 NE2 HIS A 663 -9.390 -2.697 -37.510 1.00 26.17 N ATOM 46 H HIS A 663 -8.378 -2.781 -33.582 1.00 0.00 H ATOM 47 N GLU A 664 -11.012 -4.705 -33.943 1.00 18.51 N ATOM 48 CA GLU A 664 -11.904 -5.696 -34.535 1.00 21.60 C ATOM 49 C GLU A 664 -12.976 -6.162 -33.563 1.00 17.66 C ATOM 50 O GLU A 664 -14.066 -6.547 -33.999 1.00 24.78 O ATOM 51 CB GLU A 664 -11.085 -6.873 -35.063 1.00 30.32 C ATOM 52 CG GLU A 664 -10.280 -6.480 -36.280 1.00 36.49 C ATOM 53 CD GLU A 664 -9.429 -7.602 -36.817 1.00 53.36 C ATOM 54 OE1 GLU A 664 -8.980 -7.482 -37.979 1.00 59.23 O ATOM 55 OE2 GLU A 664 -9.206 -8.589 -36.081 1.00 53.72 O ATOM 56 H GLU A 664 -10.007 -4.932 -33.802 1.00 0.00 H ATOM 57 N SER A 665 -12.717 -6.130 -32.257 1.00 15.64 N ATOM 58 CA SER A 665 -13.722 -6.553 -31.293 1.00 20.25 C ATOM 59 C SER A 665 -14.469 -5.386 -30.654 1.00 22.98 C ATOM 60 O SER A 665 -15.326 -5.607 -29.790 1.00 22.16 O ATOM 61 CB SER A 665 -13.074 -7.412 -30.204 1.00 23.66 C ATOM 62 OG SER A 665 -12.194 -6.648 -29.412 1.00 28.17 O ATOM 63 HG SER A 665 -11.790 -7.227 -28.718 1.00 0.00 H ATOM 64 H SER A 665 -11.789 -5.800 -31.923 1.00 0.00 H ATOM 65 N LYS A 666 -14.206 -4.157 -31.084 1.00 16.18 N ATOM 66 CA LYS A 666 -14.861 -3.004 -30.482 1.00 14.83 C ATOM 67 C LYS A 666 -16.284 -2.856 -30.995 1.00 15.32 C ATOM 68 O LYS A 666 -16.554 -3.041 -32.189 1.00 15.90 O ATOM 69 CB LYS A 666 -14.043 -1.742 -30.781 1.00 15.58 C ATOM 70 CG LYS A 666 -12.666 -1.766 -30.133 1.00 20.10 C ATOM 71 CD LYS A 666 -12.737 -1.808 -28.600 1.00 28.69 C ATOM 72 CE LYS A 666 -11.337 -1.791 -27.982 1.00 32.70 C ATOM 73 NZ LYS A 666 -11.404 -2.014 -26.502 1.00 49.12 N ATOM 74 HZ1 LYS A 666 -11.973 -1.261 -26.065 1.00 0.00 H ATOM 75 HZ2 LYS A 666 -11.843 -2.937 -26.311 1.00 0.00 H ATOM 76 HZ3 LYS A 666 -10.442 -1.998 -26.106 1.00 0.00 H ATOM 77 H LYS A 666 -13.526 -4.017 -31.858 1.00 0.00 H ATOM 78 N GLU A 667 -17.193 -2.491 -30.081 1.00 19.20 N ATOM 79 CA GLU A 667 -18.600 -2.329 -30.438 1.00 23.38 C ATOM 80 C GLU A 667 -18.795 -1.316 -31.547 1.00 18.63 C ATOM 81 O GLU A 667 -19.690 -1.485 -32.377 1.00 20.05 O ATOM 82 CB GLU A 667 -19.416 -1.891 -29.229 1.00 31.26 C ATOM 83 CG GLU A 667 -19.770 -2.986 -28.278 1.00 39.60 C ATOM 84 CD GLU A 667 -20.392 -2.437 -27.017 1.00 52.01 C ATOM 85 OE1 GLU A 667 -19.682 -1.714 -26.279 1.00 47.12 O ATOM 86 OE2 GLU A 667 -21.592 -2.703 -26.789 1.00 53.30 O ATOM 87 H GLU A 667 -16.892 -2.320 -29.100 1.00 0.00 H ATOM 88 N TRP A 668 -17.969 -0.268 -31.587 1.00 15.37 N ATOM 89 CA TRP A 668 -18.137 0.767 -32.593 1.00 16.19 C ATOM 90 C TRP A 668 -17.606 0.391 -33.958 1.00 13.48 C ATOM 91 O TRP A 668 -17.842 1.139 -34.907 1.00 15.51 O ATOM 92 CB TRP A 668 -17.455 2.062 -32.144 1.00 13.66 C ATOM 93 CG TRP A 668 -16.104 1.903 -31.507 1.00 13.78 C ATOM 94 CD1 TRP A 668 -15.846 1.915 -30.167 1.00 16.18 C ATOM 95 CD2 TRP A 668 -14.830 1.755 -32.159 1.00 12.17 C ATOM 96 NE1 TRP A 668 -14.504 1.787 -29.939 1.00 14.78 N ATOM 97 CE2 TRP A 668 -13.852 1.692 -31.143 1.00 12.75 C ATOM 98 CE3 TRP A 668 -14.414 1.691 -33.498 1.00 13.25 C ATOM 99 CZ2 TRP A 668 -12.501 1.557 -31.417 1.00 13.72 C ATOM 100 CZ3 TRP A 668 -13.050 1.543 -33.768 1.00 13.85 C ATOM 101 CH2 TRP A 668 -12.112 1.481 -32.726 1.00 14.16 C ATOM 102 HE1 TRP A 668 -14.050 1.765 -29.004 1.00 0.00 H ATOM 103 H TRP A 668 -17.199 -0.192 -30.892 1.00 0.00 H ATOM 104 N TYR A 669 -16.884 -0.719 -34.097 1.00 13.35 N ATOM 105 CA TYR A 669 -16.246 -1.054 -35.359 1.00 12.47 C ATOM 106 C TYR A 669 -17.122 -2.000 -36.173 1.00 19.27 C ATOM 107 O TYR A 669 -17.581 -3.018 -35.656 1.00 15.38 O ATOM 108 CB TYR A 669 -14.883 -1.686 -35.132 1.00 19.91 C ATOM 109 CG TYR A 669 -14.243 -1.992 -36.449 1.00 16.68 C ATOM 110 CD1 TYR A 669 -13.840 -0.974 -37.267 1.00 13.12 C ATOM 111 CD2 TYR A 669 -14.111 -3.300 -36.909 1.00 18.45 C ATOM 112 CE1 TYR A 669 -13.292 -1.214 -38.487 1.00 17.07 C ATOM 113 CE2 TYR A 669 -13.548 -3.562 -38.151 1.00 20.19 C ATOM 114 CZ TYR A 669 -13.143 -2.505 -38.929 1.00 22.40 C ATOM 115 OH TYR A 669 -12.596 -2.719 -40.146 1.00 21.32 O ATOM 116 HH TYR A 669 -11.777 -3.266 -40.047 1.00 0.00 H ATOM 117 H TYR A 669 -16.774 -1.360 -33.285 1.00 0.00 H ATOM 118 N HIS A 670 -17.316 -1.679 -37.455 1.00 19.77 N ATOM 119 CA HIS A 670 -18.128 -2.490 -38.357 1.00 21.98 C ATOM 120 C HIS A 670 -17.332 -2.755 -39.627 1.00 22.51 C ATOM 121 O HIS A 670 -17.106 -1.850 -40.435 1.00 23.11 O ATOM 122 CB HIS A 670 -19.450 -1.808 -38.653 1.00 22.67 C ATOM 123 CG HIS A 670 -20.265 -1.540 -37.428 1.00 21.14 C ATOM 124 ND1 HIS A 670 -21.288 -2.365 -37.018 1.00 26.80 N ATOM 125 CD2 HIS A 670 -20.191 -0.549 -36.506 1.00 19.01 C ATOM 126 CE1 HIS A 670 -21.814 -1.894 -35.901 1.00 29.56 C ATOM 127 NE2 HIS A 670 -21.166 -0.791 -35.570 1.00 23.47 N ATOM 128 H HIS A 670 -16.870 -0.816 -37.826 1.00 0.00 H ATOM 129 N ALA A 671 -16.894 -3.997 -39.794 1.00 18.25 N ATOM 130 CA ALA A 671 -16.070 -4.375 -40.939 1.00 17.85 C ATOM 131 C ALA A 671 -16.847 -4.395 -42.255 1.00 24.82 C ATOM 132 O ALA A 671 -16.223 -4.427 -43.324 1.00 25.68 O ATOM 133 CB ALA A 671 -15.444 -5.755 -40.695 1.00 28.10 C ATOM 134 H ALA A 671 -17.144 -4.721 -39.090 1.00 0.00 H ATOM 135 N SER A 672 -18.179 -4.375 -42.215 1.00 17.67 N ATOM 136 CA SER A 672 -18.981 -4.540 -43.434 1.00 22.62 C ATOM 137 C SER A 672 -20.279 -3.765 -43.232 1.00 31.77 C ATOM 138 O SER A 672 -21.297 -4.318 -42.806 1.00 35.15 O ATOM 139 CB SER A 672 -19.262 -6.006 -43.729 1.00 36.32 C ATOM 140 OG SER A 672 -20.045 -6.551 -42.689 1.00 46.87 O ATOM 141 HG SER A 672 -20.900 -6.056 -42.627 1.00 0.00 H ATOM 142 H SER A 672 -18.660 -4.240 -41.303 1.00 0.00 H ATOM 143 N LEU A 673 -20.224 -2.484 -43.539 1.00 27.79 N ATOM 144 CA LEU A 673 -21.328 -1.578 -43.279 1.00 23.22 C ATOM 145 C LEU A 673 -21.194 -0.478 -44.304 1.00 24.89 C ATOM 146 O LEU A 673 -20.134 0.147 -44.382 1.00 25.64 O ATOM 147 CB LEU A 673 -21.267 -1.003 -41.871 1.00 21.93 C ATOM 148 CG LEU A 673 -22.522 -0.352 -41.328 1.00 27.66 C ATOM 149 CD1 LEU A 673 -23.614 -1.401 -41.073 1.00 28.98 C ATOM 150 CD2 LEU A 673 -22.187 0.415 -40.057 1.00 21.92 C ATOM 151 H LEU A 673 -19.361 -2.110 -43.982 1.00 0.00 H ATOM 152 N THR A 674 -22.247 -0.255 -45.081 1.00 26.16 N ATOM 153 CA THR A 674 -22.193 0.771 -46.099 1.00 28.69 C ATOM 154 C THR A 674 -22.453 2.137 -45.481 1.00 23.68 C ATOM 155 O THR A 674 -22.981 2.268 -44.375 1.00 22.41 O ATOM 156 CB THR A 674 -23.222 0.506 -47.204 1.00 29.26 C ATOM 157 OG1 THR A 674 -24.538 0.743 -46.695 1.00 30.59 O ATOM 158 CG2 THR A 674 -23.111 -0.920 -47.703 1.00 28.96 C ATOM 159 HG1 THR A 674 -24.709 0.137 -45.931 1.00 0.00 H ATOM 160 H THR A 674 -23.112 -0.819 -44.958 1.00 0.00 H ATOM 161 N ARG A 675 -22.091 3.171 -46.236 1.00 25.23 N ATOM 162 CA ARG A 675 -22.463 4.530 -45.854 1.00 18.51 C ATOM 163 C ARG A 675 -23.957 4.635 -45.551 1.00 19.94 C ATOM 164 O ARG A 675 -24.360 5.221 -44.544 1.00 21.15 O ATOM 165 CB ARG A 675 -22.058 5.483 -46.969 1.00 20.86 C ATOM 166 CG ARG A 675 -22.295 6.952 -46.667 1.00 22.64 C ATOM 167 CD ARG A 675 -21.924 7.785 -47.911 1.00 26.40 C ATOM 168 NE ARG A 675 -22.164 9.219 -47.735 1.00 30.42 N ATOM 169 CZ ARG A 675 -21.227 10.148 -47.543 1.00 27.70 C ATOM 170 NH1 ARG A 675 -19.946 9.831 -47.477 1.00 24.74 N ATOM 171 NH2 ARG A 675 -21.582 11.419 -47.404 1.00 24.53 N ATOM 172 HE ARG A 675 -23.152 9.541 -47.762 1.00 0.00 H ATOM 173 HH12 ARG A 675 -19.234 10.574 -47.327 1.00 0.00 H ATOM 174 HH11 ARG A 675 -19.650 8.839 -47.576 1.00 0.00 H ATOM 175 HH22 ARG A 675 -20.856 12.148 -47.254 1.00 0.00 H ATOM 176 HH21 ARG A 675 -22.586 11.686 -47.445 1.00 0.00 H ATOM 177 H ARG A 675 -21.540 3.010 -47.103 1.00 0.00 H ATOM 178 N ALA A 676 -24.797 4.066 -46.419 1.00 23.23 N ATOM 179 CA ALA A 676 -26.241 4.128 -46.212 1.00 22.60 C ATOM 180 C ALA A 676 -26.661 3.392 -44.944 1.00 15.80 C ATOM 181 O ALA A 676 -27.444 3.912 -44.145 1.00 22.59 O ATOM 182 CB ALA A 676 -26.962 3.554 -47.436 1.00 36.73 C ATOM 183 H ALA A 676 -24.418 3.573 -47.253 1.00 0.00 H ATOM 184 N GLN A 677 -26.169 2.172 -44.749 1.00 31.34 N ATOM 185 CA GLN A 677 -26.501 1.438 -43.529 1.00 27.21 C ATOM 186 C GLN A 677 -26.089 2.221 -42.291 1.00 24.80 C ATOM 187 O GLN A 677 -26.846 2.310 -41.316 1.00 27.87 O ATOM 188 CB GLN A 677 -25.810 0.081 -43.547 1.00 37.09 C ATOM 189 CG GLN A 677 -26.289 -0.830 -44.640 1.00 34.64 C ATOM 190 CD GLN A 677 -25.559 -2.138 -44.644 1.00 35.54 C ATOM 191 OE1 GLN A 677 -24.379 -2.211 -45.003 1.00 34.47 O ATOM 192 NE2 GLN A 677 -26.258 -3.198 -44.247 1.00 44.46 N ATOM 193 HE22 GLN A 677 -27.250 -3.087 -43.954 1.00 0.00 H ATOM 194 HE21 GLN A 677 -25.813 -4.138 -44.230 1.00 0.00 H ATOM 195 H GLN A 677 -25.549 1.741 -45.464 1.00 0.00 H ATOM 196 N ALA A 678 -24.888 2.806 -42.322 1.00 23.93 N ATOM 197 CA ALA A 678 -24.400 3.609 -41.206 1.00 21.44 C ATOM 198 C ALA A 678 -25.314 4.789 -40.933 1.00 19.21 C ATOM 199 O ALA A 678 -25.620 5.100 -39.775 1.00 21.94 O ATOM 200 CB ALA A 678 -22.975 4.086 -41.506 1.00 18.28 C ATOM 201 H ALA A 678 -24.287 2.686 -43.162 1.00 0.00 H ATOM 202 N GLU A 679 -25.750 5.480 -41.985 1.00 20.56 N ATOM 203 CA GLU A 679 -26.635 6.617 -41.791 1.00 22.61 C ATOM 204 C GLU A 679 -27.961 6.197 -41.155 1.00 21.30 C ATOM 205 O GLU A 679 -28.482 6.887 -40.268 1.00 27.34 O ATOM 206 CB GLU A 679 -26.868 7.327 -43.130 1.00 23.82 C ATOM 207 CG GLU A 679 -25.618 8.016 -43.639 1.00 22.68 C ATOM 208 CD GLU A 679 -25.819 8.765 -44.943 1.00 32.09 C ATOM 209 OE1 GLU A 679 -25.045 9.712 -45.197 1.00 26.46 O ATOM 210 OE2 GLU A 679 -26.747 8.416 -45.707 1.00 30.35 O ATOM 211 H GLU A 679 -25.457 5.206 -42.945 1.00 0.00 H ATOM 212 N HIS A 680 -28.522 5.078 -41.584 1.00 30.56 N ATOM 213 CA HIS A 680 -29.807 4.691 -41.016 1.00 27.81 C ATOM 214 C HIS A 680 -29.658 4.294 -39.554 1.00 26.64 C ATOM 215 O HIS A 680 -30.538 4.590 -38.741 1.00 37.02 O ATOM 216 CB HIS A 680 -30.431 3.572 -41.836 1.00 34.09 C ATOM 217 CG HIS A 680 -31.014 4.045 -43.131 1.00 43.89 C ATOM 218 ND1 HIS A 680 -30.296 4.071 -44.307 1.00 49.82 N ATOM 219 CD2 HIS A 680 -32.237 4.544 -43.426 1.00 58.27 C ATOM 220 CE1 HIS A 680 -31.058 4.545 -45.276 1.00 56.00 C ATOM 221 NE2 HIS A 680 -32.240 4.843 -44.767 1.00 60.36 N ATOM 222 H HIS A 680 -28.059 4.491 -42.307 1.00 0.00 H ATOM 223 N MET A 681 -28.538 3.665 -39.195 1.00 28.34 N ATOM 224 CA MET A 681 -28.281 3.341 -37.793 1.00 30.72 C ATOM 225 C MET A 681 -28.169 4.599 -36.946 1.00 34.21 C ATOM 226 O MET A 681 -28.758 4.681 -35.863 1.00 28.17 O ATOM 227 CB MET A 681 -27.011 2.512 -37.666 1.00 32.54 C ATOM 228 CG MET A 681 -27.124 1.132 -38.240 1.00 35.12 C ATOM 229 SD MET A 681 -25.563 0.271 -38.253 1.00 48.13 S ATOM 230 CE MET A 681 -25.034 0.429 -36.558 1.00 35.15 C ATOM 231 H MET A 681 -27.840 3.402 -39.920 1.00 0.00 H ATOM 232 N LEU A 682 -27.404 5.597 -37.417 1.00 26.77 N ATOM 233 CA LEU A 682 -27.175 6.782 -36.599 1.00 20.61 C ATOM 234 C LEU A 682 -28.440 7.609 -36.408 1.00 27.99 C ATOM 235 O LEU A 682 -28.574 8.324 -35.404 1.00 28.65 O ATOM 236 CB LEU A 682 -26.072 7.644 -37.227 1.00 21.11 C ATOM 237 CG LEU A 682 -24.699 6.973 -37.153 1.00 13.57 C ATOM 238 CD1 LEU A 682 -23.705 7.661 -38.070 1.00 22.41 C ATOM 239 CD2 LEU A 682 -24.173 6.991 -35.715 1.00 24.07 C ATOM 240 H LEU A 682 -26.976 5.525 -38.362 1.00 0.00 H ATOM 241 N MET A 683 -29.368 7.555 -37.356 1.00 30.37 N ATOM 242 CA MET A 683 -30.530 8.426 -37.246 1.00 35.38 C ATOM 243 C MET A 683 -31.472 7.987 -36.132 1.00 28.45 C ATOM 244 O MET A 683 -32.216 8.821 -35.606 1.00 37.32 O ATOM 245 CB MET A 683 -31.275 8.485 -38.583 1.00 33.07 C ATOM 246 CG MET A 683 -30.629 9.409 -39.596 1.00 43.46 C ATOM 247 SD MET A 683 -30.199 11.040 -38.930 1.00 49.03 S ATOM 248 CE MET A 683 -31.823 11.651 -38.479 1.00 32.91 C ATOM 249 H MET A 683 -29.267 6.904 -38.161 1.00 0.00 H ATOM 250 N ARG A 684 -31.439 6.711 -35.763 1.00 30.74 N ATOM 251 CA ARG A 684 -32.210 6.205 -34.638 1.00 37.81 C ATOM 252 C ARG A 684 -31.723 6.718 -33.285 1.00 41.88 C ATOM 253 O ARG A 684 -32.387 6.451 -32.278 1.00 36.58 O ATOM 254 CB ARG A 684 -32.158 4.681 -34.610 1.00 40.37 C ATOM 255 CG ARG A 684 -32.450 3.986 -35.935 1.00 48.76 C ATOM 256 CD ARG A 684 -32.124 2.498 -35.843 1.00 45.18 C ATOM 257 NE ARG A 684 -31.830 1.920 -37.153 1.00 51.88 N ATOM 258 CZ ARG A 684 -31.275 0.726 -37.345 1.00 45.00 C ATOM 259 NH1 ARG A 684 -30.944 -0.032 -36.311 1.00 56.93 N ATOM 260 NH2 ARG A 684 -31.039 0.291 -38.577 1.00 43.51 N ATOM 261 HE ARG A 684 -32.072 2.482 -37.994 1.00 0.00 H ATOM 262 HH12 ARG A 684 -30.511 -0.964 -36.467 1.00 0.00 H ATOM 263 HH11 ARG A 684 -31.118 0.305 -35.343 1.00 0.00 H ATOM 264 HH22 ARG A 684 -30.605 -0.643 -38.725 1.00 0.00 H ATOM 265 HH21 ARG A 684 -31.288 0.884 -39.394 1.00 0.00 H ATOM 266 H ARG A 684 -30.840 6.050 -36.298 1.00 0.00 H ATOM 267 N VAL A 685 -30.593 7.421 -33.222 1.00 34.14 N ATOM 268 CA VAL A 685 -30.022 7.819 -31.934 1.00 24.87 C ATOM 269 C VAL A 685 -29.962 9.339 -31.853 1.00 30.90 C ATOM 270 O VAL A 685 -28.969 9.954 -32.275 1.00 30.69 O ATOM 271 CB VAL A 685 -28.647 7.169 -31.720 1.00 30.17 C ATOM 272 CG1 VAL A 685 -28.098 7.499 -30.325 1.00 29.00 C ATOM 273 CG2 VAL A 685 -28.773 5.648 -31.869 1.00 26.73 C ATOM 274 H VAL A 685 -30.109 7.691 -34.102 1.00 0.00 H ATOM 275 N PRO A 686 -30.983 9.986 -31.288 1.00 34.63 N ATOM 276 CA PRO A 686 -31.011 11.453 -31.289 1.00 27.06 C ATOM 277 C PRO A 686 -30.044 12.083 -30.304 1.00 30.95 C ATOM 278 O PRO A 686 -30.436 12.882 -29.443 1.00 30.09 O ATOM 279 CB PRO A 686 -32.475 11.770 -30.938 1.00 37.28 C ATOM 280 CG PRO A 686 -32.933 10.616 -30.159 1.00 31.88 C ATOM 281 CD PRO A 686 -32.229 9.414 -30.739 1.00 34.13 C ATOM 282 N ARG A 687 -28.758 11.778 -30.448 1.00 28.00 N ATOM 283 CA ARG A 687 -27.754 12.408 -29.610 1.00 23.77 C ATOM 284 C ARG A 687 -26.575 12.794 -30.483 1.00 20.81 C ATOM 285 O ARG A 687 -26.106 11.982 -31.285 1.00 22.45 O ATOM 286 CB ARG A 687 -27.323 11.462 -28.473 1.00 24.10 C ATOM 287 CG ARG A 687 -28.455 11.161 -27.437 1.00 22.87 C ATOM 288 CD ARG A 687 -28.761 12.355 -26.542 1.00 24.73 C ATOM 289 NE ARG A 687 -27.697 12.575 -25.570 1.00 22.74 N ATOM 290 CZ ARG A 687 -27.446 13.720 -24.947 1.00 28.26 C ATOM 291 NH1 ARG A 687 -28.181 14.806 -25.172 1.00 29.60 N ATOM 292 NH2 ARG A 687 -26.439 13.786 -24.092 1.00 30.71 N ATOM 293 HE ARG A 687 -27.083 11.766 -25.346 1.00 0.00 H ATOM 294 HH12 ARG A 687 -27.966 15.692 -24.672 1.00 0.00 H ATOM 295 HH11 ARG A 687 -28.971 14.769 -25.848 1.00 0.00 H ATOM 296 HH22 ARG A 687 -26.234 14.678 -23.598 1.00 0.00 H ATOM 297 HH21 ARG A 687 -25.853 12.946 -23.913 1.00 0.00 H ATOM 298 H ARG A 687 -28.469 11.083 -31.166 1.00 0.00 H ATOM 299 N ASP A 688 -26.114 14.033 -30.350 1.00 25.40 N ATOM 300 CA ASP A 688 -24.827 14.381 -30.929 1.00 24.03 C ATOM 301 C ASP A 688 -23.743 13.534 -30.273 1.00 25.60 C ATOM 302 O ASP A 688 -23.784 13.263 -29.073 1.00 22.35 O ATOM 303 CB ASP A 688 -24.542 15.863 -30.738 1.00 28.90 C ATOM 304 CG ASP A 688 -25.544 16.747 -31.461 1.00 29.98 C ATOM 305 OD1 ASP A 688 -26.225 16.261 -32.388 1.00 33.31 O ATOM 306 OD2 ASP A 688 -25.632 17.935 -31.103 1.00 45.38 O ATOM 307 H ASP A 688 -26.669 14.747 -29.836 1.00 0.00 H ATOM 308 N GLY A 689 -22.782 13.079 -31.065 1.00 22.53 N ATOM 309 CA GLY A 689 -21.747 12.230 -30.529 1.00 18.41 C ATOM 310 C GLY A 689 -21.984 10.756 -30.740 1.00 15.13 C ATOM 311 O GLY A 689 -21.074 9.956 -30.468 1.00 14.89 O ATOM 312 H GLY A 689 -22.775 13.334 -32.073 1.00 0.00 H ATOM 313 N ALA A 690 -23.175 10.371 -31.218 1.00 12.00 N ATOM 314 CA ALA A 690 -23.380 9.019 -31.722 1.00 15.60 C ATOM 315 C ALA A 690 -22.446 8.748 -32.892 1.00 16.95 C ATOM 316 O ALA A 690 -22.330 9.568 -33.812 1.00 13.00 O ATOM 317 CB ALA A 690 -24.824 8.841 -32.169 1.00 16.18 C ATOM 318 H ALA A 690 -23.965 11.047 -31.230 1.00 0.00 H ATOM 319 N PHE A 691 -21.782 7.594 -32.876 1.00 11.17 N ATOM 320 CA PHE A 691 -20.809 7.334 -33.925 1.00 11.67 C ATOM 321 C PHE A 691 -20.599 5.848 -34.118 1.00 12.84 C ATOM 322 O PHE A 691 -20.879 5.034 -33.231 1.00 15.70 O ATOM 323 CB PHE A 691 -19.468 7.986 -33.603 1.00 12.26 C ATOM 324 CG PHE A 691 -18.657 7.245 -32.572 1.00 11.47 C ATOM 325 CD1 PHE A 691 -18.872 7.438 -31.216 1.00 13.51 C ATOM 326 CD2 PHE A 691 -17.633 6.399 -32.965 1.00 9.60 C ATOM 327 CE1 PHE A 691 -18.115 6.750 -30.274 1.00 14.28 C ATOM 328 CE2 PHE A 691 -16.874 5.734 -32.036 1.00 10.76 C ATOM 329 CZ PHE A 691 -17.114 5.898 -30.692 1.00 14.53 C ATOM 330 H PHE A 691 -21.956 6.892 -32.128 1.00 0.00 H ATOM 331 N LEU A 692 -20.040 5.525 -35.278 1.00 13.27 N ATOM 332 CA LEU A 692 -19.473 4.208 -35.528 1.00 14.84 C ATOM 333 C LEU A 692 -18.299 4.368 -36.485 1.00 16.35 C ATOM 334 O LEU A 692 -18.070 5.441 -37.052 1.00 13.09 O ATOM 335 CB LEU A 692 -20.540 3.252 -36.054 1.00 12.23 C ATOM 336 CG LEU A 692 -21.262 3.683 -37.334 1.00 17.26 C ATOM 337 CD1 LEU A 692 -20.457 3.357 -38.582 1.00 15.80 C ATOM 338 CD2 LEU A 692 -22.631 3.035 -37.383 1.00 28.08 C ATOM 339 H LEU A 692 -20.006 6.238 -36.034 1.00 0.00 H ATOM 340 N VAL A 693 -17.526 3.299 -36.633 1.00 12.99 N ATOM 341 CA VAL A 693 -16.431 3.244 -37.586 1.00 14.69 C ATOM 342 C VAL A 693 -16.712 2.075 -38.505 1.00 19.35 C ATOM 343 O VAL A 693 -17.095 0.996 -38.042 1.00 14.43 O ATOM 344 CB VAL A 693 -15.061 3.087 -36.902 1.00 12.61 C ATOM 345 CG1 VAL A 693 -13.963 3.039 -37.942 1.00 15.43 C ATOM 346 CG2 VAL A 693 -14.813 4.219 -35.906 1.00 16.41 C ATOM 347 H VAL A 693 -17.712 2.465 -36.041 1.00 0.00 H ATOM 348 N ARG A 694 -16.546 2.294 -39.799 1.00 14.22 N ATOM 349 CA ARG A 694 -16.814 1.266 -40.791 1.00 22.31 C ATOM 350 C ARG A 694 -15.633 1.179 -41.741 1.00 22.70 C ATOM 351 O ARG A 694 -15.007 2.187 -42.062 1.00 18.13 O ATOM 352 CB ARG A 694 -18.104 1.561 -41.559 1.00 17.80 C ATOM 353 CG ARG A 694 -18.103 2.895 -42.288 1.00 18.58 C ATOM 354 CD ARG A 694 -19.466 3.231 -42.863 1.00 20.26 C ATOM 355 NE ARG A 694 -19.528 4.626 -43.259 1.00 19.17 N ATOM 356 CZ ARG A 694 -19.092 5.092 -44.428 1.00 18.82 C ATOM 357 NH1 ARG A 694 -18.576 4.266 -45.333 1.00 20.96 N ATOM 358 NH2 ARG A 694 -19.168 6.385 -44.689 1.00 18.31 N ATOM 359 HE ARG A 694 -19.939 5.305 -42.587 1.00 0.00 H ATOM 360 HH12 ARG A 694 -18.238 4.638 -46.243 1.00 0.00 H ATOM 361 HH11 ARG A 694 -18.511 3.248 -45.130 1.00 0.00 H ATOM 362 HH22 ARG A 694 -18.828 6.752 -45.601 1.00 0.00 H ATOM 363 HH21 ARG A 694 -19.567 7.035 -43.983 1.00 0.00 H ATOM 364 H ARG A 694 -16.215 3.228 -40.115 1.00 0.00 H ATOM 365 N LYS A 695 -15.317 -0.035 -42.174 1.00 17.12 N ATOM 366 CA LYS A 695 -14.311 -0.208 -43.202 1.00 17.43 C ATOM 367 C LYS A 695 -14.879 0.241 -44.543 1.00 15.32 C ATOM 368 O LYS A 695 -16.008 -0.113 -44.890 1.00 20.02 O ATOM 369 CB LYS A 695 -13.875 -1.671 -43.270 1.00 23.20 C ATOM 370 CG LYS A 695 -12.666 -1.857 -44.134 1.00 23.62 C ATOM 371 CD LYS A 695 -12.204 -3.315 -44.128 1.00 34.53 C ATOM 372 CE LYS A 695 -11.037 -3.534 -45.095 1.00 43.11 C ATOM 373 NZ LYS A 695 -9.807 -2.760 -44.731 1.00 41.40 N ATOM 374 HZ1 LYS A 695 -10.026 -1.743 -44.731 1.00 0.00 H ATOM 375 HZ2 LYS A 695 -9.486 -3.047 -43.784 1.00 0.00 H ATOM 376 HZ3 LYS A 695 -9.058 -2.955 -45.426 1.00 0.00 H ATOM 377 H LYS A 695 -15.794 -0.867 -41.773 1.00 0.00 H ATOM 378 N ARG A 696 -14.107 1.024 -45.296 1.00 17.30 N ATOM 379 CA ARG A 696 -14.565 1.521 -46.590 1.00 21.80 C ATOM 380 C ARG A 696 -14.175 0.549 -47.702 1.00 27.80 C ATOM 381 O ARG A 696 -13.281 -0.282 -47.549 1.00 23.57 O ATOM 382 CB ARG A 696 -13.980 2.910 -46.887 1.00 21.60 C ATOM 383 CG ARG A 696 -14.510 4.014 -45.991 1.00 16.79 C ATOM 384 CD ARG A 696 -13.865 5.368 -46.300 1.00 19.98 C ATOM 385 NE ARG A 696 -14.223 5.850 -47.633 1.00 19.71 N ATOM 386 CZ ARG A 696 -13.359 6.242 -48.575 1.00 26.41 C ATOM 387 NH1 ARG A 696 -12.052 6.234 -48.373 1.00 22.79 N ATOM 388 NH2 ARG A 696 -13.819 6.664 -49.739 1.00 25.18 N ATOM 389 HE ARG A 696 -15.235 5.891 -47.868 1.00 0.00 H ATOM 390 HH12 ARG A 696 -11.407 6.545 -49.127 1.00 0.00 H ATOM 391 HH11 ARG A 696 -11.669 5.916 -47.460 1.00 0.00 H ATOM 392 HH22 ARG A 696 -13.157 6.971 -50.479 1.00 0.00 H ATOM 393 HH21 ARG A 696 -14.844 6.689 -49.915 1.00 0.00 H ATOM 394 H ARG A 696 -13.160 1.286 -44.955 1.00 0.00 H ATOM 395 N ASN A 697 -14.884 0.649 -48.830 1.00 28.91 N ATOM 396 CA ASN A 697 -14.534 -0.170 -49.983 1.00 34.64 C ATOM 397 C ASN A 697 -13.127 0.156 -50.466 1.00 35.24 C ATOM 398 O ASN A 697 -12.378 -0.734 -50.881 1.00 39.04 O ATOM 399 CB ASN A 697 -15.552 0.039 -51.099 1.00 35.53 C ATOM 400 CG ASN A 697 -15.449 -1.024 -52.178 1.00 45.76 C ATOM 401 OD1 ASN A 697 -14.974 -2.129 -51.923 1.00 54.20 O ATOM 402 ND2 ASN A 697 -15.889 -0.695 -53.387 1.00 52.94 N ATOM 403 HD22 ASN A 697 -16.283 0.252 -53.557 1.00 0.00 H ATOM 404 HD21 ASN A 697 -15.839 -1.385 -54.164 1.00 0.00 H ATOM 405 H ASN A 697 -15.685 1.311 -48.885 1.00 0.00 H ATOM 406 N GLU A 698 -12.745 1.419 -50.386 1.00 31.28 N ATOM 407 CA GLU A 698 -11.386 1.815 -50.703 1.00 25.04 C ATOM 408 C GLU A 698 -10.397 1.036 -49.834 1.00 28.83 C ATOM 409 O GLU A 698 -10.659 0.815 -48.647 1.00 32.10 O ATOM 410 CB GLU A 698 -11.221 3.322 -50.474 1.00 24.93 C ATOM 411 CG GLU A 698 -9.883 3.864 -50.826 1.00 34.30 C ATOM 412 CD GLU A 698 -9.677 4.008 -52.330 1.00 28.86 C ATOM 413 OE1 GLU A 698 -10.676 3.994 -53.088 1.00 29.45 O ATOM 414 OE2 GLU A 698 -8.510 4.139 -52.733 1.00 35.22 O ATOM 415 H GLU A 698 -13.432 2.142 -50.090 1.00 0.00 H ATOM 416 N PRO A 699 -9.253 0.618 -50.381 1.00 29.02 N ATOM 417 CA PRO A 699 -8.287 -0.139 -49.576 1.00 32.57 C ATOM 418 C PRO A 699 -7.658 0.700 -48.477 1.00 27.85 C ATOM 419 O PRO A 699 -7.423 1.900 -48.632 1.00 34.19 O ATOM 420 CB PRO A 699 -7.227 -0.567 -50.600 1.00 37.82 C ATOM 421 CG PRO A 699 -7.870 -0.398 -51.929 1.00 35.90 C ATOM 422 CD PRO A 699 -8.803 0.744 -51.779 1.00 40.76 C ATOM 423 N ASN A 700 -7.367 0.040 -47.354 1.00 31.38 N ATOM 424 CA ASN A 700 -6.639 0.670 -46.259 1.00 26.78 C ATOM 425 C ASN A 700 -7.330 1.944 -45.777 1.00 21.48 C ATOM 426 O ASN A 700 -6.670 2.904 -45.382 1.00 24.99 O ATOM 427 CB ASN A 700 -5.206 0.993 -46.665 1.00 33.24 C ATOM 428 CG ASN A 700 -4.368 -0.259 -46.867 1.00 47.37 C ATOM 429 OD1 ASN A 700 -4.520 -1.237 -46.134 1.00 50.01 O ATOM 430 ND2 ASN A 700 -3.496 -0.242 -47.872 1.00 55.30 N ATOM 431 HD22 ASN A 700 -3.402 0.607 -48.465 1.00 0.00 H ATOM 432 HD21 ASN A 700 -2.908 -1.078 -48.065 1.00 0.00 H ATOM 433 H ASN A 700 -7.668 -0.951 -47.257 1.00 0.00 H ATOM 434 N SER A 701 -8.652 1.965 -45.811 1.00 21.97 N ATOM 435 CA SER A 701 -9.390 3.158 -45.445 1.00 21.76 C ATOM 436 C SER A 701 -10.590 2.790 -44.588 1.00 21.89 C ATOM 437 O SER A 701 -11.234 1.754 -44.794 1.00 20.02 O ATOM 438 CB SER A 701 -9.839 3.907 -46.704 1.00 21.32 C ATOM 439 OG SER A 701 -10.585 5.072 -46.379 1.00 23.72 O ATOM 440 HG SER A 701 -10.024 5.680 -45.835 1.00 0.00 H ATOM 441 H SER A 701 -9.170 1.112 -46.105 1.00 0.00 H ATOM 442 N TYR A 702 -10.867 3.646 -43.616 1.00 16.35 N ATOM 443 CA TYR A 702 -12.041 3.557 -42.763 1.00 15.13 C ATOM 444 C TYR A 702 -12.809 4.868 -42.870 1.00 12.90 C ATOM 445 O TYR A 702 -12.276 5.879 -43.340 1.00 17.20 O ATOM 446 CB TYR A 702 -11.651 3.323 -41.302 1.00 16.92 C ATOM 447 CG TYR A 702 -10.703 2.205 -41.088 1.00 20.55 C ATOM 448 CD1 TYR A 702 -11.134 0.886 -41.090 1.00 16.66 C ATOM 449 CD2 TYR A 702 -9.362 2.463 -40.857 1.00 23.71 C ATOM 450 CE1 TYR A 702 -10.219 -0.172 -40.896 1.00 19.53 C ATOM 451 CE2 TYR A 702 -8.467 1.447 -40.654 1.00 28.12 C ATOM 452 CZ TYR A 702 -8.890 0.138 -40.671 1.00 27.83 C ATOM 453 OH TYR A 702 -7.956 -0.841 -40.460 1.00 38.76 O ATOM 454 HH TYR A 702 -8.395 -1.728 -40.499 1.00 0.00 H ATOM 455 H TYR A 702 -10.204 4.430 -43.453 1.00 0.00 H ATOM 456 N ALA A 703 -14.054 4.854 -42.410 1.00 15.29 N ATOM 457 CA ALA A 703 -14.796 6.087 -42.172 1.00 15.10 C ATOM 458 C ALA A 703 -15.344 6.090 -40.751 1.00 19.22 C ATOM 459 O ALA A 703 -15.813 5.058 -40.243 1.00 14.54 O ATOM 460 CB ALA A 703 -15.938 6.282 -43.173 1.00 13.56 C ATOM 461 H ALA A 703 -14.512 3.941 -42.214 1.00 0.00 H ATOM 462 N ILE A 704 -15.250 7.243 -40.097 1.00 12.44 N ATOM 463 CA ILE A 704 -16.033 7.519 -38.901 1.00 11.46 C ATOM 464 C ILE A 704 -17.311 8.195 -39.363 1.00 14.20 C ATOM 465 O ILE A 704 -17.267 9.264 -39.981 1.00 17.63 O ATOM 466 CB ILE A 704 -15.291 8.431 -37.916 1.00 14.47 C ATOM 467 CG1 ILE A 704 -13.889 7.925 -37.633 1.00 17.71 C ATOM 468 CG2 ILE A 704 -16.072 8.504 -36.614 1.00 13.56 C ATOM 469 CD1 ILE A 704 -13.078 8.865 -36.825 1.00 16.87 C ATOM 470 H ILE A 704 -14.597 7.971 -40.451 1.00 0.00 H ATOM 471 N SER A 705 -18.434 7.568 -39.097 1.00 12.78 N ATOM 472 CA SER A 705 -19.738 8.181 -39.309 1.00 14.44 C ATOM 473 C SER A 705 -20.287 8.635 -37.969 1.00 17.09 C ATOM 474 O SER A 705 -20.353 7.846 -37.017 1.00 13.89 O ATOM 475 CB SER A 705 -20.699 7.197 -39.966 1.00 18.08 C ATOM 476 OG SER A 705 -20.124 6.633 -41.133 1.00 17.94 O ATOM 477 HG SER A 705 -19.915 7.354 -41.778 1.00 0.00 H ATOM 478 H SER A 705 -18.391 6.599 -38.722 1.00 0.00 H ATOM 479 N PHE A 706 -20.695 9.900 -37.888 1.00 12.36 N ATOM 480 CA PHE A 706 -21.104 10.443 -36.610 1.00 10.32 C ATOM 481 C PHE A 706 -22.242 11.434 -36.791 1.00 19.66 C ATOM 482 O PHE A 706 -22.494 11.943 -37.880 1.00 14.48 O ATOM 483 CB PHE A 706 -19.944 11.118 -35.861 1.00 14.32 C ATOM 484 CG PHE A 706 -19.292 12.250 -36.629 1.00 11.64 C ATOM 485 CD1 PHE A 706 -19.712 13.563 -36.456 1.00 13.04 C ATOM 486 CD2 PHE A 706 -18.250 11.998 -37.508 1.00 17.57 C ATOM 487 CE1 PHE A 706 -19.109 14.596 -37.138 1.00 17.52 C ATOM 488 CE2 PHE A 706 -17.638 13.030 -38.210 1.00 20.38 C ATOM 489 CZ PHE A 706 -18.072 14.328 -38.029 1.00 21.14 C ATOM 490 H PHE A 706 -20.720 10.496 -38.740 1.00 0.00 H ATOM 491 N ARG A 707 -22.935 11.683 -35.688 1.00 13.64 N ATOM 492 CA ARG A 707 -24.065 12.595 -35.649 1.00 16.18 C ATOM 493 C ARG A 707 -23.667 13.865 -34.918 1.00 16.99 C ATOM 494 O ARG A 707 -23.196 13.811 -33.770 1.00 16.20 O ATOM 495 CB ARG A 707 -25.260 11.935 -34.961 1.00 15.29 C ATOM 496 CG ARG A 707 -26.466 12.865 -34.820 1.00 26.82 C ATOM 497 CD ARG A 707 -27.719 12.075 -34.459 1.00 24.06 C ATOM 498 NE ARG A 707 -28.880 12.959 -34.360 1.00 34.14 N ATOM 499 CZ ARG A 707 -30.134 12.549 -34.526 1.00 41.87 C ATOM 500 NH1 ARG A 707 -30.392 11.271 -34.794 1.00 39.07 N ATOM 501 NH2 ARG A 707 -31.134 13.413 -34.416 1.00 34.29 N ATOM 502 HE ARG A 707 -28.716 13.964 -34.148 1.00 0.00 H ATOM 503 HH12 ARG A 707 -31.374 10.955 -34.923 1.00 0.00 H ATOM 504 HH11 ARG A 707 -29.611 10.589 -34.874 1.00 0.00 H ATOM 505 HH22 ARG A 707 -32.115 13.092 -34.546 1.00 0.00 H ATOM 506 HH21 ARG A 707 -30.937 14.411 -34.200 1.00 0.00 H ATOM 507 H ARG A 707 -22.656 11.202 -34.809 1.00 0.00 H ATOM 508 N ALA A 708 -23.852 15.002 -35.581 1.00 20.52 N ATOM 509 CA ALA A 708 -23.559 16.290 -34.966 1.00 23.74 C ATOM 510 C ALA A 708 -24.520 17.342 -35.508 1.00 25.34 C ATOM 511 O ALA A 708 -24.744 17.415 -36.721 1.00 22.59 O ATOM 512 CB ALA A 708 -22.105 16.693 -35.224 1.00 24.46 C ATOM 513 H ALA A 708 -24.212 14.972 -36.556 1.00 0.00 H ATOM 514 N GLU A 709 -25.109 18.130 -34.607 1.00 28.45 N ATOM 515 CA GLU A 709 -26.043 19.186 -34.997 1.00 26.55 C ATOM 516 C GLU A 709 -27.217 18.620 -35.790 1.00 26.24 C ATOM 517 O GLU A 709 -27.678 19.219 -36.762 1.00 34.59 O ATOM 518 CB GLU A 709 -25.319 20.269 -35.794 1.00 30.86 C ATOM 519 CG GLU A 709 -24.017 20.685 -35.130 1.00 36.02 C ATOM 520 CD GLU A 709 -23.255 21.737 -35.908 1.00 44.03 C ATOM 521 OE1 GLU A 709 -22.811 22.711 -35.264 1.00 40.04 O ATOM 522 OE2 GLU A 709 -23.088 21.582 -37.146 1.00 42.24 O ATOM 523 H GLU A 709 -24.898 17.989 -33.598 1.00 0.00 H ATOM 524 N GLY A 710 -27.690 17.441 -35.386 1.00 26.47 N ATOM 525 CA GLY A 710 -28.796 16.786 -36.063 1.00 26.90 C ATOM 526 C GLY A 710 -28.495 16.225 -37.432 1.00 31.34 C ATOM 527 O GLY A 710 -29.420 15.751 -38.099 1.00 34.31 O ATOM 528 H GLY A 710 -27.255 16.977 -34.563 1.00 0.00 H ATOM 529 N LYS A 711 -27.236 16.242 -37.874 1.00 24.62 N ATOM 530 CA LYS A 711 -26.858 15.757 -39.193 1.00 25.28 C ATOM 531 C LYS A 711 -25.845 14.625 -39.071 1.00 19.10 C ATOM 532 O LYS A 711 -25.144 14.504 -38.065 1.00 21.12 O ATOM 533 CB LYS A 711 -26.262 16.887 -40.035 1.00 25.39 C ATOM 534 CG LYS A 711 -27.157 18.105 -40.081 1.00 37.04 C ATOM 535 CD LYS A 711 -26.681 19.141 -41.071 1.00 43.79 C ATOM 536 CE LYS A 711 -27.767 20.186 -41.323 1.00 49.78 C ATOM 537 NZ LYS A 711 -28.969 19.597 -42.000 1.00 66.13 N ATOM 538 HZ1 LYS A 711 -28.687 19.194 -42.916 1.00 0.00 H ATOM 539 HZ2 LYS A 711 -29.371 18.849 -41.400 1.00 0.00 H ATOM 540 HZ3 LYS A 711 -29.680 20.341 -42.151 1.00 0.00 H ATOM 541 H LYS A 711 -26.494 16.618 -37.250 1.00 0.00 H ATOM 542 N ILE A 712 -25.769 13.800 -40.111 1.00 17.54 N ATOM 543 CA ILE A 712 -24.796 12.710 -40.177 1.00 18.29 C ATOM 544 C ILE A 712 -23.632 13.153 -41.053 1.00 20.58 C ATOM 545 O ILE A 712 -23.826 13.618 -42.186 1.00 18.63 O ATOM 546 CB ILE A 712 -25.423 11.412 -40.718 1.00 23.32 C ATOM 547 CG1 ILE A 712 -26.618 10.943 -39.860 1.00 24.83 C ATOM 548 CG2 ILE A 712 -24.382 10.316 -40.778 1.00 19.12 C ATOM 549 CD1 ILE A 712 -26.371 10.948 -38.379 1.00 26.06 C ATOM 550 H ILE A 712 -26.425 13.935 -40.906 1.00 0.00 H ATOM 551 N LYS A 713 -22.422 12.993 -40.537 1.00 17.77 N ATOM 552 CA LYS A 713 -21.211 13.330 -41.266 1.00 14.65 C ATOM 553 C LYS A 713 -20.308 12.111 -41.299 1.00 19.32 C ATOM 554 O LYS A 713 -20.416 11.212 -40.456 1.00 16.55 O ATOM 555 CB LYS A 713 -20.497 14.518 -40.636 1.00 21.06 C ATOM 556 CG LYS A 713 -21.249 15.834 -40.834 1.00 26.82 C ATOM 557 CD LYS A 713 -20.460 17.059 -40.402 1.00 30.59 C ATOM 558 CE LYS A 713 -21.030 18.350 -41.023 1.00 38.89 C ATOM 559 NZ LYS A 713 -22.528 18.442 -40.947 1.00 27.82 N ATOM 560 HZ1 LYS A 713 -22.950 17.639 -41.456 1.00 0.00 H ATOM 561 HZ2 LYS A 713 -22.825 18.418 -39.951 1.00 0.00 H ATOM 562 HZ3 LYS A 713 -22.842 19.333 -41.382 1.00 0.00 H ATOM 563 H LYS A 713 -22.336 12.612 -39.573 1.00 0.00 H ATOM 564 N HIS A 714 -19.440 12.080 -42.309 1.00 14.00 N ATOM 565 CA HIS A 714 -18.500 10.984 -42.521 1.00 15.57 C ATOM 566 C HIS A 714 -17.100 11.545 -42.703 1.00 17.67 C ATOM 567 O HIS A 714 -16.893 12.456 -43.519 1.00 18.85 O ATOM 568 CB HIS A 714 -18.877 10.139 -43.738 1.00 17.79 C ATOM 569 CG HIS A 714 -20.301 9.699 -43.741 1.00 16.83 C ATOM 570 ND1 HIS A 714 -20.734 8.596 -43.037 1.00 18.28 N ATOM 571 CD2 HIS A 714 -21.399 10.228 -44.329 1.00 18.71 C ATOM 572 CE1 HIS A 714 -22.039 8.457 -43.201 1.00 20.44 C ATOM 573 NE2 HIS A 714 -22.466 9.432 -43.985 1.00 22.13 N ATOM 574 H HIS A 714 -19.432 12.875 -42.979 1.00 0.00 H ATOM 575 N CYS A 715 -16.153 10.985 -41.942 1.00 13.71 N ATOM 576 CA CYS A 715 -14.739 11.355 -41.944 1.00 17.08 C ATOM 577 C CYS A 715 -13.886 10.170 -42.391 1.00 19.16 C ATOM 578 O CYS A 715 -14.003 9.074 -41.833 1.00 15.82 O ATOM 579 CB CYS A 715 -14.309 11.797 -40.529 1.00 18.06 C ATOM 580 SG CYS A 715 -12.695 12.486 -40.492 1.00 36.12 S ATOM 581 H CYS A 715 -16.447 10.224 -41.296 1.00 0.00 H ATOM 582 N ARG A 716 -13.001 10.399 -43.365 1.00 17.55 N ATOM 583 CA ARG A 716 -12.066 9.370 -43.822 1.00 18.78 C ATOM 584 C ARG A 716 -10.901 9.189 -42.858 1.00 17.41 C ATOM 585 O ARG A 716 -10.375 10.156 -42.295 1.00 14.97 O ATOM 586 CB ARG A 716 -11.479 9.739 -45.182 1.00 19.94 C ATOM 587 CG ARG A 716 -12.375 9.573 -46.359 1.00 25.84 C ATOM 588 CD ARG A 716 -11.495 9.806 -47.589 1.00 29.00 C ATOM 589 NE ARG A 716 -12.188 9.745 -48.869 1.00 32.90 N ATOM 590 CZ ARG A 716 -12.573 10.807 -49.582 1.00 33.37 C ATOM 591 NH1 ARG A 716 -12.357 12.048 -49.150 1.00 27.77 N ATOM 592 NH2 ARG A 716 -13.181 10.621 -50.745 1.00 32.28 N ATOM 593 HE ARG A 716 -12.399 8.803 -49.257 1.00 0.00 H ATOM 594 HH12 ARG A 716 -12.666 12.859 -49.723 1.00 0.00 H ATOM 595 HH11 ARG A 716 -11.879 12.206 -48.240 1.00 0.00 H ATOM 596 HH22 ARG A 716 -13.486 11.440 -51.309 1.00 0.00 H ATOM 597 HH21 ARG A 716 -13.354 9.656 -51.093 1.00 0.00 H ATOM 598 H ARG A 716 -12.976 11.338 -43.812 1.00 0.00 H ATOM 599 N VAL A 717 -10.456 7.945 -42.719 1.00 15.22 N ATOM 600 CA VAL A 717 -9.288 7.596 -41.918 1.00 15.35 C ATOM 601 C VAL A 717 -8.437 6.671 -42.775 1.00 19.23 C ATOM 602 O VAL A 717 -8.932 5.640 -43.240 1.00 15.44 O ATOM 603 CB VAL A 717 -9.666 6.901 -40.602 1.00 18.06 C ATOM 604 CG1 VAL A 717 -8.418 6.468 -39.851 1.00 18.03 C ATOM 605 CG2 VAL A 717 -10.511 7.807 -39.745 1.00 23.74 C ATOM 606 H VAL A 717 -10.966 7.181 -43.206 1.00 0.00 H ATOM 607 N GLN A 718 -7.172 7.027 -42.984 1.00 21.23 N ATOM 608 CA GLN A 718 -6.281 6.234 -43.831 1.00 20.98 C ATOM 609 C GLN A 718 -5.377 5.370 -42.961 1.00 24.93 C ATOM 610 O GLN A 718 -4.789 5.858 -41.993 1.00 25.79 O ATOM 611 CB GLN A 718 -5.441 7.140 -44.739 1.00 27.80 C ATOM 612 CG GLN A 718 -4.594 6.410 -45.770 1.00 39.79 C ATOM 613 CD GLN A 718 -3.551 7.316 -46.449 1.00 59.67 C ATOM 614 OE1 GLN A 718 -2.575 6.827 -47.035 1.00 54.84 O ATOM 615 NE2 GLN A 718 -3.760 8.636 -46.381 1.00 58.61 N ATOM 616 HE22 GLN A 718 -4.592 9.005 -45.879 1.00 0.00 H ATOM 617 HE21 GLN A 718 -3.090 9.292 -46.830 1.00 0.00 H ATOM 618 H GLN A 718 -6.808 7.891 -42.534 1.00 0.00 H ATOM 619 N GLN A 719 -5.285 4.086 -43.307 1.00 29.55 N ATOM 620 CA GLN A 719 -4.431 3.112 -42.625 1.00 31.40 C ATOM 621 C GLN A 719 -3.159 2.981 -43.451 1.00 35.95 C ATOM 622 O GLN A 719 -3.196 2.442 -44.559 1.00 35.39 O ATOM 623 CB GLN A 719 -5.160 1.772 -42.504 1.00 35.10 C ATOM 624 CG GLN A 719 -4.335 0.606 -41.963 1.00 35.34 C ATOM 625 CD GLN A 719 -4.090 0.708 -40.477 1.00 28.59 C ATOM 626 OE1 GLN A 719 -4.996 0.483 -39.662 1.00 44.47 O ATOM 627 NE2 GLN A 719 -2.866 1.039 -40.105 1.00 36.35 N ATOM 628 HE22 GLN A 719 -2.135 1.219 -40.823 1.00 0.00 H ATOM 629 HE21 GLN A 719 -2.633 1.119 -39.095 1.00 0.00 H ATOM 630 H GLN A 719 -5.855 3.756 -44.111 1.00 0.00 H ATOM 631 N GLU A 720 -2.045 3.497 -42.937 1.00 38.60 N ATOM 632 CA GLU A 720 -0.816 3.609 -43.719 1.00 48.85 C ATOM 633 C GLU A 720 0.367 3.127 -42.894 1.00 54.75 C ATOM 634 O GLU A 720 0.842 3.843 -42.007 1.00 55.17 O ATOM 635 CB GLU A 720 -0.586 5.044 -44.191 1.00 48.32 C ATOM 636 CG GLU A 720 -0.657 6.089 -43.105 1.00 56.49 C ATOM 637 CD GLU A 720 -0.532 7.499 -43.647 1.00 65.28 C ATOM 638 OE1 GLU A 720 -0.230 7.655 -44.849 1.00 61.81 O ATOM 639 OE2 GLU A 720 -0.736 8.453 -42.866 1.00 63.65 O ATOM 640 H GLU A 720 -2.050 3.830 -41.952 1.00 0.00 H ATOM 641 N GLY A 721 0.858 1.931 -43.213 1.00 47.44 N ATOM 642 CA GLY A 721 2.000 1.364 -42.528 1.00 52.93 C ATOM 643 C GLY A 721 1.657 0.899 -41.130 1.00 49.80 C ATOM 644 O GLY A 721 0.799 0.030 -40.953 1.00 59.40 O ATOM 645 H GLY A 721 0.407 1.388 -43.977 1.00 0.00 H ATOM 646 N GLN A 722 2.329 1.465 -40.128 1.00 45.54 N ATOM 647 CA GLN A 722 2.064 1.152 -38.732 1.00 49.81 C ATOM 648 C GLN A 722 1.246 2.235 -38.042 1.00 46.18 C ATOM 649 O GLN A 722 1.186 2.268 -36.808 1.00 47.15 O ATOM 650 CB GLN A 722 3.379 0.932 -37.978 1.00 58.39 C ATOM 651 CG GLN A 722 3.834 -0.514 -37.913 1.00 60.73 C ATOM 652 CD GLN A 722 4.450 -0.989 -39.209 1.00 75.03 C ATOM 653 OE1 GLN A 722 4.724 -0.191 -40.107 1.00 85.01 O ATOM 654 NE2 GLN A 722 4.674 -2.295 -39.316 1.00 73.44 N ATOM 655 HE22 GLN A 722 4.426 -2.931 -38.531 1.00 0.00 H ATOM 656 HE21 GLN A 722 5.097 -2.681 -40.184 1.00 0.00 H ATOM 657 H GLN A 722 3.072 2.157 -40.353 1.00 0.00 H ATOM 658 N THR A 723 0.621 3.127 -38.808 1.00 38.91 N ATOM 659 CA THR A 723 -0.144 4.220 -38.232 1.00 34.15 C ATOM 660 C THR A 723 -1.416 4.437 -39.036 1.00 34.27 C ATOM 661 O THR A 723 -1.560 3.959 -40.168 1.00 32.44 O ATOM 662 CB THR A 723 0.668 5.518 -38.213 1.00 30.75 C ATOM 663 OG1 THR A 723 0.924 5.918 -39.561 1.00 32.78 O ATOM 664 CG2 THR A 723 1.987 5.324 -37.472 1.00 43.26 C ATOM 665 HG1 THR A 723 1.435 5.207 -40.023 1.00 0.00 H ATOM 666 H THR A 723 0.682 3.039 -39.843 1.00 0.00 H ATOM 667 N VAL A 724 -2.325 5.212 -38.442 1.00 27.28 N ATOM 668 CA VAL A 724 -3.547 5.667 -39.090 1.00 21.23 C ATOM 669 C VAL A 724 -3.540 7.190 -39.075 1.00 20.41 C ATOM 670 O VAL A 724 -3.017 7.817 -38.149 1.00 27.62 O ATOM 671 CB VAL A 724 -4.824 5.128 -38.402 1.00 19.23 C ATOM 672 CG1 VAL A 724 -4.891 3.615 -38.487 1.00 28.07 C ATOM 673 CG2 VAL A 724 -4.854 5.558 -36.991 1.00 17.72 C ATOM 674 H VAL A 724 -2.151 5.508 -37.460 1.00 0.00 H ATOM 675 N MET A 725 -4.162 7.774 -40.087 1.00 21.42 N ATOM 676 CA MET A 725 -4.162 9.214 -40.310 1.00 29.11 C ATOM 677 C MET A 725 -5.582 9.719 -40.487 1.00 24.66 C ATOM 678 O MET A 725 -6.325 9.197 -41.321 1.00 28.20 O ATOM 679 CB MET A 725 -3.359 9.538 -41.569 1.00 30.87 C ATOM 680 CG MET A 725 -3.155 11.013 -41.885 1.00 42.91 C ATOM 681 SD MET A 725 -1.892 11.834 -40.890 1.00 61.33 S ATOM 682 CE MET A 725 -0.492 10.710 -41.040 1.00 48.91 C ATOM 683 H MET A 725 -4.679 7.172 -40.760 1.00 0.00 H ATOM 684 N LEU A 726 -5.945 10.757 -39.741 1.00 21.25 N ATOM 685 CA LEU A 726 -7.180 11.498 -39.968 1.00 28.13 C ATOM 686 C LEU A 726 -6.772 12.948 -40.177 1.00 30.06 C ATOM 687 O LEU A 726 -6.323 13.600 -39.231 1.00 24.79 O ATOM 688 CB LEU A 726 -8.143 11.375 -38.791 1.00 25.39 C ATOM 689 CG LEU A 726 -9.564 11.931 -38.965 1.00 23.74 C ATOM 690 CD1 LEU A 726 -10.396 11.427 -37.808 1.00 34.18 C ATOM 691 CD2 LEU A 726 -9.636 13.456 -39.010 1.00 35.47 C ATOM 692 H LEU A 726 -5.322 11.053 -38.963 1.00 0.00 H ATOM 693 N GLY A 727 -6.940 13.441 -41.397 1.00 36.47 N ATOM 694 CA GLY A 727 -6.442 14.765 -41.732 1.00 46.45 C ATOM 695 C GLY A 727 -4.936 14.779 -41.574 1.00 45.18 C ATOM 696 O GLY A 727 -4.216 14.046 -42.259 1.00 42.37 O ATOM 697 H GLY A 727 -7.431 12.876 -42.119 1.00 0.00 H ATOM 698 N ASN A 728 -4.443 15.610 -40.656 1.00 45.71 N ATOM 699 CA ASN A 728 -3.023 15.673 -40.340 1.00 49.21 C ATOM 700 C ASN A 728 -2.708 15.084 -38.974 1.00 50.48 C ATOM 701 O ASN A 728 -1.552 15.142 -38.539 1.00 43.40 O ATOM 702 CB ASN A 728 -2.529 17.124 -40.407 1.00 54.98 C ATOM 703 H ASN A 728 -5.097 16.237 -40.146 1.00 0.00 H ATOM 704 N SER A 729 -3.702 14.524 -38.287 1.00 43.35 N ATOM 705 CA SER A 729 -3.495 13.876 -37.001 1.00 37.12 C ATOM 706 C SER A 729 -3.170 12.402 -37.226 1.00 35.34 C ATOM 707 O SER A 729 -3.831 11.729 -38.022 1.00 33.98 O ATOM 708 CB SER A 729 -4.738 14.036 -36.126 1.00 42.41 C ATOM 709 OG SER A 729 -5.164 15.391 -36.131 1.00 53.89 O ATOM 710 HG SER A 729 -5.969 15.485 -35.562 1.00 0.00 H ATOM 711 H SER A 729 -4.663 14.551 -38.685 1.00 0.00 H ATOM 712 N GLU A 730 -2.157 11.904 -36.528 1.00 28.98 N ATOM 713 CA GLU A 730 -1.623 10.576 -36.767 1.00 34.58 C ATOM 714 C GLU A 730 -1.628 9.816 -35.456 1.00 28.22 C ATOM 715 O GLU A 730 -1.330 10.381 -34.398 1.00 30.19 O ATOM 716 CB GLU A 730 -0.203 10.641 -37.353 1.00 34.97 C ATOM 717 H GLU A 730 -1.729 12.488 -35.781 1.00 0.00 H ATOM 718 N PHE A 731 -1.985 8.540 -35.526 1.00 23.39 N ATOM 719 CA PHE A 731 -2.065 7.697 -34.346 1.00 23.11 C ATOM 720 C PHE A 731 -1.453 6.339 -34.648 1.00 18.93 C ATOM 721 O PHE A 731 -1.352 5.926 -35.806 1.00 25.36 O ATOM 722 CB PHE A 731 -3.521 7.541 -33.878 1.00 24.66 C ATOM 723 CG PHE A 731 -4.204 8.860 -33.593 1.00 19.60 C ATOM 724 CD1 PHE A 731 -4.807 9.581 -34.616 1.00 20.02 C ATOM 725 CD2 PHE A 731 -4.225 9.387 -32.309 1.00 22.93 C ATOM 726 CE1 PHE A 731 -5.421 10.811 -34.362 1.00 24.60 C ATOM 727 CE2 PHE A 731 -4.847 10.604 -32.052 1.00 19.32 C ATOM 728 CZ PHE A 731 -5.449 11.309 -33.075 1.00 21.03 C ATOM 729 H PHE A 731 -2.215 8.131 -36.454 1.00 0.00 H ATOM 730 N ASP A 732 -1.058 5.646 -33.578 1.00 22.82 N ATOM 731 CA ASP A 732 -0.485 4.310 -33.707 1.00 26.63 C ATOM 732 C ASP A 732 -1.492 3.312 -34.263 1.00 31.25 C ATOM 733 O ASP A 732 -1.098 2.340 -34.922 1.00 28.71 O ATOM 734 CB ASP A 732 0.007 3.808 -32.349 1.00 38.37 C ATOM 735 CG ASP A 732 1.321 4.442 -31.921 1.00 40.07 C ATOM 736 OD1 ASP A 732 1.781 4.128 -30.805 1.00 40.70 O ATOM 737 OD2 ASP A 732 1.899 5.232 -32.698 1.00 41.75 O ATOM 738 H ASP A 732 -1.161 6.067 -32.633 1.00 0.00 H ATOM 739 N SER A 733 -2.784 3.527 -34.011 1.00 22.77 N ATOM 740 CA SER A 733 -3.794 2.538 -34.364 1.00 19.13 C ATOM 741 C SER A 733 -5.170 3.188 -34.383 1.00 20.67 C ATOM 742 O SER A 733 -5.392 4.268 -33.828 1.00 19.35 O ATOM 743 CB SER A 733 -3.800 1.383 -33.382 1.00 21.65 C ATOM 744 OG SER A 733 -4.316 1.811 -32.138 1.00 24.40 O ATOM 745 HG SER A 733 -4.316 1.051 -31.503 1.00 0.00 H ATOM 746 H SER A 733 -3.075 4.415 -33.555 1.00 0.00 H ATOM 747 N LEU A 734 -6.111 2.475 -34.990 1.00 21.29 N ATOM 748 CA LEU A 734 -7.491 2.944 -34.988 1.00 19.62 C ATOM 749 C LEU A 734 -8.039 3.060 -33.567 1.00 16.30 C ATOM 750 O LEU A 734 -8.733 4.033 -33.243 1.00 19.74 O ATOM 751 CB LEU A 734 -8.339 2.018 -35.858 1.00 19.55 C ATOM 752 CG LEU A 734 -9.764 2.437 -36.238 1.00 27.34 C ATOM 753 CD1 LEU A 734 -9.829 3.854 -36.812 1.00 24.70 C ATOM 754 CD2 LEU A 734 -10.322 1.444 -37.245 1.00 23.25 C ATOM 755 H LEU A 734 -5.864 1.584 -35.466 1.00 0.00 H ATOM 756 N VAL A 735 -7.756 2.086 -32.690 1.00 14.17 N ATOM 757 CA VAL A 735 -8.283 2.193 -31.331 1.00 15.68 C ATOM 758 C VAL A 735 -7.719 3.424 -30.621 1.00 17.94 C ATOM 759 O VAL A 735 -8.426 4.079 -29.846 1.00 18.32 O ATOM 760 CB VAL A 735 -8.022 0.912 -30.510 1.00 24.99 C ATOM 761 CG1 VAL A 735 -8.829 -0.242 -31.071 1.00 23.58 C ATOM 762 CG2 VAL A 735 -6.547 0.581 -30.452 1.00 30.89 C ATOM 763 H VAL A 735 -7.174 1.271 -32.971 1.00 0.00 H ATOM 764 N ASP A 736 -6.437 3.746 -30.856 1.00 18.73 N ATOM 765 CA ASP A 736 -5.842 4.938 -30.244 1.00 20.16 C ATOM 766 C ASP A 736 -6.500 6.203 -30.781 1.00 17.54 C ATOM 767 O ASP A 736 -6.741 7.158 -30.030 1.00 17.80 O ATOM 768 CB ASP A 736 -4.326 4.979 -30.494 1.00 23.00 C ATOM 769 CG ASP A 736 -3.541 3.998 -29.597 1.00 35.34 C ATOM 770 OD1 ASP A 736 -4.105 3.488 -28.596 1.00 28.25 O ATOM 771 OD2 ASP A 736 -2.349 3.749 -29.888 1.00 41.64 O ATOM 772 H ASP A 736 -5.860 3.144 -31.478 1.00 0.00 H ATOM 773 N LEU A 737 -6.797 6.225 -32.080 1.00 18.33 N ATOM 774 CA LEU A 737 -7.483 7.362 -32.675 1.00 17.98 C ATOM 775 C LEU A 737 -8.856 7.572 -32.051 1.00 16.25 C ATOM 776 O LEU A 737 -9.227 8.701 -31.699 1.00 13.38 O ATOM 777 CB LEU A 737 -7.600 7.147 -34.181 1.00 16.89 C ATOM 778 CG LEU A 737 -8.250 8.269 -34.989 1.00 17.42 C ATOM 779 CD1 LEU A 737 -7.797 8.242 -36.446 1.00 22.76 C ATOM 780 CD2 LEU A 737 -9.763 8.192 -34.942 1.00 18.03 C ATOM 781 H LEU A 737 -6.534 5.416 -32.678 1.00 0.00 H ATOM 782 N ILE A 738 -9.646 6.498 -31.932 1.00 14.06 N ATOM 783 CA ILE A 738 -10.978 6.633 -31.347 1.00 13.03 C ATOM 784 C ILE A 738 -10.880 7.002 -29.883 1.00 15.11 C ATOM 785 O ILE A 738 -11.635 7.847 -29.394 1.00 16.16 O ATOM 786 CB ILE A 738 -11.789 5.341 -31.546 1.00 14.30 C ATOM 787 CG1 ILE A 738 -11.988 5.075 -33.044 1.00 17.29 C ATOM 788 CG2 ILE A 738 -13.135 5.397 -30.823 1.00 16.00 C ATOM 789 CD1 ILE A 738 -12.733 6.201 -33.852 1.00 15.73 C ATOM 790 H ILE A 738 -9.312 5.568 -32.256 1.00 0.00 H ATOM 791 N SER A 739 -9.973 6.365 -29.148 1.00 18.15 N ATOM 792 CA SER A 739 -9.804 6.720 -27.749 1.00 18.62 C ATOM 793 C SER A 739 -9.465 8.201 -27.603 1.00 19.22 C ATOM 794 O SER A 739 -9.926 8.867 -26.667 1.00 16.76 O ATOM 795 CB SER A 739 -8.725 5.855 -27.114 1.00 18.63 C ATOM 796 OG SER A 739 -7.468 6.101 -27.715 1.00 23.52 O ATOM 797 HG SER A 739 -7.519 5.892 -28.681 1.00 0.00 H ATOM 798 H SER A 739 -9.388 5.617 -29.572 1.00 0.00 H ATOM 799 N TYR A 740 -8.675 8.740 -28.528 1.00 16.59 N ATOM 800 CA TYR A 740 -8.339 10.157 -28.461 1.00 18.74 C ATOM 801 C TYR A 740 -9.580 11.026 -28.653 1.00 15.42 C ATOM 802 O TYR A 740 -9.829 11.953 -27.874 1.00 18.10 O ATOM 803 CB TYR A 740 -7.279 10.494 -29.499 1.00 17.09 C ATOM 804 CG TYR A 740 -6.895 11.958 -29.487 1.00 17.88 C ATOM 805 CD1 TYR A 740 -5.912 12.423 -28.615 1.00 20.21 C ATOM 806 CD2 TYR A 740 -7.502 12.870 -30.333 1.00 17.43 C ATOM 807 CE1 TYR A 740 -5.550 13.737 -28.594 1.00 25.59 C ATOM 808 CE2 TYR A 740 -7.145 14.209 -30.307 1.00 19.45 C ATOM 809 CZ TYR A 740 -6.174 14.631 -29.435 1.00 24.29 C ATOM 810 OH TYR A 740 -5.820 15.969 -29.420 1.00 28.96 O ATOM 811 HH TYR A 740 -5.112 16.114 -28.743 1.00 0.00 H ATOM 812 H TYR A 740 -8.298 8.151 -29.298 1.00 0.00 H ATOM 813 N TYR A 741 -10.388 10.728 -29.668 1.00 13.35 N ATOM 814 CA TYR A 741 -11.511 11.599 -29.979 1.00 14.61 C ATOM 815 C TYR A 741 -12.745 11.313 -29.118 1.00 13.63 C ATOM 816 O TYR A 741 -13.732 12.051 -29.222 1.00 15.32 O ATOM 817 CB TYR A 741 -11.843 11.527 -31.473 1.00 14.45 C ATOM 818 CG TYR A 741 -10.810 12.254 -32.307 1.00 14.21 C ATOM 819 CD1 TYR A 741 -9.981 11.580 -33.186 1.00 13.40 C ATOM 820 CD2 TYR A 741 -10.656 13.632 -32.189 1.00 16.06 C ATOM 821 CE1 TYR A 741 -9.024 12.278 -33.934 1.00 17.24 C ATOM 822 CE2 TYR A 741 -9.726 14.316 -32.919 1.00 17.85 C ATOM 823 CZ TYR A 741 -8.907 13.636 -33.786 1.00 21.26 C ATOM 824 OH TYR A 741 -7.972 14.350 -34.510 1.00 23.68 O ATOM 825 HH TYR A 741 -7.355 14.809 -33.887 1.00 0.00 H ATOM 826 H TYR A 741 -10.217 9.875 -30.237 1.00 0.00 H ATOM 827 N GLU A 742 -12.687 10.301 -28.251 1.00 11.16 N ATOM 828 CA GLU A 742 -13.611 10.178 -27.129 1.00 11.47 C ATOM 829 C GLU A 742 -13.298 11.155 -26.005 1.00 17.52 C ATOM 830 O GLU A 742 -14.172 11.400 -25.174 1.00 20.18 O ATOM 831 CB GLU A 742 -13.584 8.751 -26.580 1.00 18.34 C ATOM 832 CG GLU A 742 -14.294 7.782 -27.502 1.00 19.98 C ATOM 833 CD GLU A 742 -14.269 6.353 -26.996 1.00 22.47 C ATOM 834 OE1 GLU A 742 -13.517 6.059 -26.052 1.00 24.87 O ATOM 835 OE2 GLU A 742 -15.003 5.525 -27.560 1.00 29.96 O ATOM 836 H GLU A 742 -11.956 9.573 -28.380 1.00 0.00 H ATOM 837 N LYS A 743 -12.074 11.705 -25.956 1.00 18.10 N ATOM 838 CA LYS A 743 -11.673 12.635 -24.905 1.00 20.69 C ATOM 839 C LYS A 743 -11.381 14.038 -25.426 1.00 24.23 C ATOM 840 O LYS A 743 -11.267 14.975 -24.621 1.00 21.77 O ATOM 841 CB LYS A 743 -10.432 12.109 -24.176 1.00 23.50 C ATOM 842 CG LYS A 743 -10.624 10.765 -23.506 1.00 31.67 C ATOM 843 CD LYS A 743 -9.286 10.093 -23.229 1.00 36.86 C ATOM 844 CE LYS A 743 -8.446 10.891 -22.246 1.00 52.20 C ATOM 845 NZ LYS A 743 -7.102 10.270 -22.033 1.00 58.63 N ATOM 846 HZ1 LYS A 743 -7.222 9.308 -21.656 1.00 0.00 H ATOM 847 HZ2 LYS A 743 -6.593 10.228 -22.939 1.00 0.00 H ATOM 848 HZ3 LYS A 743 -6.560 10.844 -21.356 1.00 0.00 H ATOM 849 H LYS A 743 -11.385 11.459 -26.695 1.00 0.00 H ATOM 850 N HIS A 744 -11.279 14.207 -26.740 1.00 17.54 N ATOM 851 CA HIS A 744 -10.992 15.462 -27.405 1.00 15.78 C ATOM 852 C HIS A 744 -11.969 15.619 -28.558 1.00 17.15 C ATOM 853 O HIS A 744 -12.261 14.642 -29.260 1.00 16.94 O ATOM 854 CB HIS A 744 -9.550 15.505 -27.932 1.00 15.79 C ATOM 855 CG HIS A 744 -8.535 15.318 -26.854 1.00 22.87 C ATOM 856 ND1 HIS A 744 -8.070 16.366 -26.090 1.00 23.62 N ATOM 857 CD2 HIS A 744 -7.959 14.200 -26.350 1.00 25.36 C ATOM 858 CE1 HIS A 744 -7.214 15.909 -25.191 1.00 28.94 C ATOM 859 NE2 HIS A 744 -7.129 14.597 -25.325 1.00 26.38 N ATOM 860 H HIS A 744 -11.417 13.369 -27.341 1.00 0.00 H ATOM 861 N PRO A 745 -12.493 16.817 -28.782 1.00 17.87 N ATOM 862 CA PRO A 745 -13.509 16.969 -29.822 1.00 16.31 C ATOM 863 C PRO A 745 -12.964 16.660 -31.198 1.00 15.22 C ATOM 864 O PRO A 745 -11.848 17.036 -31.555 1.00 14.35 O ATOM 865 CB PRO A 745 -13.927 18.441 -29.704 1.00 22.29 C ATOM 866 CG PRO A 745 -12.875 19.085 -28.906 1.00 25.91 C ATOM 867 CD PRO A 745 -12.312 18.056 -28.009 1.00 20.12 C ATOM 868 N LEU A 746 -13.790 16.000 -31.993 1.00 18.05 N ATOM 869 CA LEU A 746 -13.492 15.743 -33.393 1.00 17.68 C ATOM 870 C LEU A 746 -14.111 16.781 -34.310 1.00 19.62 C ATOM 871 O LEU A 746 -13.466 17.229 -35.257 1.00 18.38 O ATOM 872 CB LEU A 746 -14.002 14.347 -33.793 1.00 17.91 C ATOM 873 CG LEU A 746 -13.986 14.008 -35.292 1.00 20.23 C ATOM 874 CD1 LEU A 746 -12.552 13.991 -35.820 1.00 20.85 C ATOM 875 CD2 LEU A 746 -14.674 12.677 -35.547 1.00 18.99 C ATOM 876 H LEU A 746 -14.688 15.651 -31.601 1.00 0.00 H ATOM 877 N TYR A 747 -15.360 17.150 -34.046 1.00 14.62 N ATOM 878 CA TYR A 747 -16.132 18.067 -34.879 1.00 17.10 C ATOM 879 C TYR A 747 -16.621 19.193 -33.971 1.00 19.95 C ATOM 880 O TYR A 747 -17.412 18.954 -33.061 1.00 15.90 O ATOM 881 CB TYR A 747 -17.305 17.343 -35.544 1.00 16.99 C ATOM 882 CG TYR A 747 -18.209 18.263 -36.324 1.00 21.78 C ATOM 883 CD1 TYR A 747 -17.939 18.578 -37.634 1.00 24.80 C ATOM 884 CD2 TYR A 747 -19.330 18.831 -35.731 1.00 22.17 C ATOM 885 CE1 TYR A 747 -18.767 19.447 -38.354 1.00 32.36 C ATOM 886 CE2 TYR A 747 -20.160 19.704 -36.433 1.00 26.24 C ATOM 887 CZ TYR A 747 -19.869 20.007 -37.742 1.00 29.13 C ATOM 888 OH TYR A 747 -20.693 20.863 -38.442 1.00 36.56 O ATOM 889 HH TYR A 747 -21.607 20.484 -38.477 1.00 0.00 H ATOM 890 H TYR A 747 -15.815 16.762 -33.195 1.00 0.00 H ATOM 891 N ARG A 748 -16.150 20.417 -34.207 1.00 16.08 N ATOM 892 CA ARG A 748 -16.436 21.526 -33.296 1.00 19.67 C ATOM 893 C ARG A 748 -16.217 21.095 -31.848 1.00 17.89 C ATOM 894 O ARG A 748 -15.091 20.767 -31.469 1.00 17.48 O ATOM 895 CB ARG A 748 -17.855 22.042 -33.547 1.00 20.67 C ATOM 896 CG ARG A 748 -18.093 22.330 -35.029 1.00 22.12 C ATOM 897 CD ARG A 748 -19.336 23.192 -35.307 1.00 23.39 C ATOM 898 NE ARG A 748 -19.128 24.562 -34.819 1.00 26.07 N ATOM 899 CZ ARG A 748 -20.066 25.339 -34.292 1.00 30.88 C ATOM 900 NH1 ARG A 748 -19.741 26.553 -33.863 1.00 25.51 N ATOM 901 NH2 ARG A 748 -21.319 24.905 -34.165 1.00 34.80 N ATOM 902 HE ARG A 748 -18.168 24.955 -34.892 1.00 0.00 H ATOM 903 HH12 ARG A 748 -20.468 27.170 -33.448 1.00 0.00 H ATOM 904 HH11 ARG A 748 -18.759 26.887 -33.942 1.00 0.00 H ATOM 905 HH22 ARG A 748 -22.044 25.524 -33.750 1.00 0.00 H ATOM 906 HH21 ARG A 748 -21.572 23.947 -34.481 1.00 0.00 H ATOM 907 H ARG A 748 -15.569 20.587 -35.053 1.00 0.00 H ATOM 908 N LYS A 749 -17.259 21.092 -31.019 1.00 17.39 N ATOM 909 CA LYS A 749 -17.132 20.668 -29.631 1.00 20.41 C ATOM 910 C LYS A 749 -17.566 19.221 -29.404 1.00 22.71 C ATOM 911 O LYS A 749 -17.552 18.754 -28.266 1.00 22.46 O ATOM 912 CB LYS A 749 -17.953 21.592 -28.718 1.00 27.96 C ATOM 913 CG LYS A 749 -17.313 22.932 -28.507 1.00 31.05 C ATOM 914 CD LYS A 749 -18.038 23.741 -27.462 1.00 30.73 C ATOM 915 CE LYS A 749 -17.344 25.068 -27.234 1.00 34.63 C ATOM 916 NZ LYS A 749 -17.962 25.847 -26.113 1.00 51.47 N ATOM 917 HZ1 LYS A 749 -18.960 26.038 -26.334 1.00 0.00 H ATOM 918 HZ2 LYS A 749 -17.900 25.295 -25.234 1.00 0.00 H ATOM 919 HZ3 LYS A 749 -17.453 26.746 -25.996 1.00 0.00 H ATOM 920 H LYS A 749 -18.188 21.400 -31.371 1.00 0.00 H ATOM 921 N MET A 750 -17.938 18.501 -30.453 1.00 20.69 N ATOM 922 CA MET A 750 -18.439 17.137 -30.306 1.00 16.91 C ATOM 923 C MET A 750 -17.278 16.156 -30.175 1.00 14.06 C ATOM 924 O MET A 750 -16.425 16.076 -31.058 1.00 15.02 O ATOM 925 CB MET A 750 -19.303 16.777 -31.509 1.00 19.46 C ATOM 926 CG MET A 750 -19.951 15.394 -31.424 1.00 24.56 C ATOM 927 SD MET A 750 -19.957 14.521 -32.991 1.00 22.19 S ATOM 928 CE MET A 750 -18.230 14.074 -33.197 1.00 16.70 C ATOM 929 H MET A 750 -17.871 18.917 -31.404 1.00 0.00 H ATOM 930 N LYS A 751 -17.237 15.438 -29.063 1.00 16.89 N ATOM 931 CA LYS A 751 -16.441 14.229 -28.916 1.00 13.59 C ATOM 932 C LYS A 751 -17.231 13.025 -29.405 1.00 17.24 C ATOM 933 O LYS A 751 -18.455 13.045 -29.476 1.00 17.35 O ATOM 934 CB LYS A 751 -16.064 14.022 -27.461 1.00 17.05 C ATOM 935 CG LYS A 751 -15.205 15.123 -26.909 1.00 20.33 C ATOM 936 CD LYS A 751 -14.925 14.928 -25.450 1.00 22.58 C ATOM 937 CE LYS A 751 -14.351 16.200 -24.845 1.00 33.97 C ATOM 938 NZ LYS A 751 -14.802 16.414 -23.452 1.00 49.50 N ATOM 939 HZ1 LYS A 751 -15.839 16.487 -23.432 1.00 0.00 H ATOM 940 HZ2 LYS A 751 -14.499 15.612 -22.864 1.00 0.00 H ATOM 941 HZ3 LYS A 751 -14.384 17.293 -23.085 1.00 0.00 H ATOM 942 H LYS A 751 -17.804 15.755 -28.251 1.00 0.00 H ATOM 943 N LEU A 752 -16.515 11.973 -29.746 1.00 13.03 N ATOM 944 CA LEU A 752 -17.156 10.696 -29.996 1.00 17.76 C ATOM 945 C LEU A 752 -17.667 10.181 -28.667 1.00 17.26 C ATOM 946 O LEU A 752 -16.883 9.937 -27.746 1.00 22.60 O ATOM 947 CB LEU A 752 -16.175 9.715 -30.625 1.00 15.40 C ATOM 948 CG LEU A 752 -15.571 10.158 -31.950 1.00 13.16 C ATOM 949 CD1 LEU A 752 -14.569 9.119 -32.479 1.00 12.42 C ATOM 950 CD2 LEU A 752 -16.665 10.393 -32.989 1.00 11.35 C ATOM 951 H LEU A 752 -15.483 12.059 -29.837 1.00 0.00 H ATOM 952 N ARG A 753 -18.973 10.070 -28.547 1.00 13.58 N ATOM 953 CA ARG A 753 -19.551 9.880 -27.235 1.00 11.59 C ATOM 954 C ARG A 753 -20.355 8.604 -27.097 1.00 14.05 C ATOM 955 O ARG A 753 -20.237 7.922 -26.073 1.00 15.40 O ATOM 956 CB ARG A 753 -20.447 11.076 -26.911 1.00 17.42 C ATOM 957 CG ARG A 753 -20.876 11.088 -25.495 1.00 19.50 C ATOM 958 CD ARG A 753 -21.595 12.356 -25.182 1.00 24.83 C ATOM 959 NE ARG A 753 -22.006 12.380 -23.782 1.00 28.71 N ATOM 960 CZ ARG A 753 -22.750 13.340 -23.237 1.00 33.28 C ATOM 961 NH1 ARG A 753 -23.183 14.354 -23.970 1.00 27.02 N ATOM 962 NH2 ARG A 753 -23.072 13.276 -21.958 1.00 31.69 N ATOM 963 HE ARG A 753 -21.698 11.597 -23.171 1.00 0.00 H ATOM 964 HH12 ARG A 753 -23.764 15.099 -23.535 1.00 0.00 H ATOM 965 HH11 ARG A 753 -22.942 14.405 -24.980 1.00 0.00 H ATOM 966 HH22 ARG A 753 -23.653 14.025 -21.530 1.00 0.00 H ATOM 967 HH21 ARG A 753 -22.744 12.477 -21.379 1.00 0.00 H ATOM 968 H ARG A 753 -19.583 10.118 -29.388 1.00 0.00 H ATOM 969 N TYR A 754 -21.193 8.284 -28.085 1.00 12.50 N ATOM 970 CA TYR A 754 -22.123 7.158 -28.027 1.00 15.40 C ATOM 971 C TYR A 754 -21.827 6.166 -29.142 1.00 16.11 C ATOM 972 O TYR A 754 -22.333 6.312 -30.266 1.00 15.77 O ATOM 973 CB TYR A 754 -23.559 7.653 -28.127 1.00 13.24 C ATOM 974 CG TYR A 754 -23.953 8.599 -27.030 1.00 16.32 C ATOM 975 CD1 TYR A 754 -24.238 9.925 -27.312 1.00 19.02 C ATOM 976 CD2 TYR A 754 -24.045 8.167 -25.711 1.00 13.99 C ATOM 977 CE1 TYR A 754 -24.605 10.815 -26.312 1.00 23.75 C ATOM 978 CE2 TYR A 754 -24.417 9.048 -24.693 1.00 21.43 C ATOM 979 CZ TYR A 754 -24.703 10.368 -25.001 1.00 20.98 C ATOM 980 OH TYR A 754 -25.094 11.254 -24.015 1.00 21.67 O ATOM 981 HH TYR A 754 -25.927 10.927 -23.591 1.00 0.00 H ATOM 982 H TYR A 754 -21.184 8.869 -28.945 1.00 0.00 H ATOM 983 N PRO A 755 -21.018 5.144 -28.877 1.00 13.72 N ATOM 984 CA PRO A 755 -20.745 4.146 -29.904 1.00 17.14 C ATOM 985 C PRO A 755 -22.003 3.365 -30.220 1.00 22.38 C ATOM 986 O PRO A 755 -22.786 3.023 -29.330 1.00 19.30 O ATOM 987 CB PRO A 755 -19.670 3.254 -29.267 1.00 19.65 C ATOM 988 CG PRO A 755 -19.777 3.513 -27.790 1.00 16.79 C ATOM 989 CD PRO A 755 -20.214 4.927 -27.668 1.00 15.53 C ATOM 990 N ILE A 756 -22.202 3.110 -31.504 1.00 17.64 N ATOM 991 CA ILE A 756 -23.394 2.434 -31.996 1.00 19.97 C ATOM 992 C ILE A 756 -22.982 1.043 -32.442 1.00 23.12 C ATOM 993 O ILE A 756 -22.111 0.885 -33.309 1.00 20.47 O ATOM 994 CB ILE A 756 -24.069 3.198 -33.146 1.00 22.72 C ATOM 995 CG1 ILE A 756 -24.499 4.594 -32.705 1.00 25.37 C ATOM 996 CG2 ILE A 756 -25.270 2.427 -33.665 1.00 32.20 C ATOM 997 CD1 ILE A 756 -25.140 4.701 -31.317 1.00 31.21 C ATOM 998 H ILE A 756 -21.477 3.405 -32.189 1.00 0.00 H ATOM 999 N ASN A 757 -23.595 0.042 -31.822 1.00 27.63 N ATOM 1000 CA ASN A 757 -23.396 -1.369 -32.130 1.00 32.78 C ATOM 1001 C ASN A 757 -24.733 -1.926 -32.616 1.00 43.75 C ATOM 1002 O ASN A 757 -25.478 -2.566 -31.874 1.00 49.00 O ATOM 1003 CB ASN A 757 -22.905 -2.051 -30.928 1.00 31.80 C ATOM 1004 CG ASN A 757 -22.459 -3.458 -31.202 1.00 40.87 C ATOM 1005 OD1 ASN A 757 -22.336 -3.866 -32.359 1.00 39.13 O ATOM 1006 ND2 ASN A 757 -22.222 -4.218 -30.140 1.00 36.80 N ATOM 1007 HD22 ASN A 757 -22.340 -3.827 -29.184 1.00 0.00 H ATOM 1008 HD21 ASN A 757 -21.918 -5.205 -30.264 1.00 0.00 H ATOM 1009 H ASN A 757 -24.264 0.281 -31.063 1.00 0.00 H ATOM 1010 N GLU A 758 -25.048 -1.649 -33.871 1.00 44.48 N ATOM 1011 CA GLU A 758 -26.227 -2.118 -34.580 1.00 51.69 C ATOM 1012 C GLU A 758 -27.475 -1.321 -34.222 1.00 52.56 C ATOM 1013 O GLU A 758 -28.478 -1.437 -34.930 1.00 55.96 O ATOM 1014 CB GLU A 758 -26.517 -3.614 -34.357 1.00 55.28 C ATOM 1015 CG GLU A 758 -27.541 -4.151 -35.335 1.00 73.04 C ATOM 1016 CD GLU A 758 -27.248 -3.713 -36.764 1.00 69.94 C ATOM 1017 OE1 GLU A 758 -26.064 -3.452 -37.074 1.00 60.85 O ATOM 1018 OE2 GLU A 758 -28.201 -3.621 -37.570 1.00 67.96 O ATOM 1019 H GLU A 758 -24.391 -1.039 -34.399 1.00 0.00 H ATOM 1020 N GLU A 759 -27.459 -0.519 -33.159 1.00 51.68 N ATOM 1021 CA GLU A 759 -28.595 0.333 -32.815 1.00 42.41 C ATOM 1022 C GLU A 759 -28.889 1.296 -33.965 1.00 52.99 C ATOM 1023 O GLU A 759 -29.207 2.470 -33.750 1.00 55.42 O ATOM 1024 CB GLU A 759 -28.327 1.119 -31.520 1.00 40.95 C ATOM 1025 CG GLU A 759 -27.903 0.260 -30.318 1.00 49.18 C ATOM 1026 CD GLU A 759 -26.403 -0.026 -30.295 1.00 48.46 C ATOM 1027 OE1 GLU A 759 -25.700 0.520 -31.160 1.00 51.41 O ATOM 1028 OE2 GLU A 759 -25.917 -0.771 -29.413 1.00 49.62 O ATOM 1029 H GLU A 759 -26.612 -0.499 -32.555 1.00 0.00 H TER 1030 GLU A 759 HETATM 1031 O HOH 1 -25.753 -3.026 -29.171 1.00 48.87 O HETATM 1032 O HOH 2 -24.646 11.976 -45.043 1.00 36.96 O HETATM 1033 O HOH 3 -30.775 18.092 -41.394 1.00 37.96 O HETATM 1034 O HOH 4 -23.888 14.588 -26.999 1.00 39.05 O HETATM 1035 O HOH 5 -23.757 -4.248 -37.611 1.00 44.16 O HETATM 1036 O HOH 6 -28.705 15.951 -32.580 1.00 43.46 O HETATM 1037 O HOH 7 -32.524 13.118 -27.970 1.00 38.52 O HETATM 1038 O HOH 8 -11.870 -5.169 -40.586 1.00 26.60 O HETATM 1039 O HOH 9 -17.726 -2.039 -45.142 1.00 33.63 O HETATM 1040 O HOH 10 -9.338 -4.112 -39.696 1.00 39.60 O HETATM 1041 O HOH 11 -3.486 -1.528 -30.650 1.00 41.01 O HETATM 1042 O HOH 12 -18.141 1.372 -45.548 1.00 27.85 O HETATM 1043 O HOH 13 -16.694 10.727 -24.987 1.00 24.60 O HETATM 1044 O HOH 14 -25.357 10.344 -21.572 1.00 22.37 O HETATM 1045 O HOH 15 -15.282 3.060 -26.648 1.00 27.28 O HETATM 1046 O HOH 16 -12.869 20.872 -32.918 1.00 24.89 O HETATM 1047 O HOH 17 -22.736 14.652 -44.376 1.00 39.92 O HETATM 1048 O HOH 18 -9.703 18.243 -30.553 1.00 23.40 O HETATM 1049 O HOH 19 -2.039 1.152 -30.465 1.00 37.03 O HETATM 1050 O HOH 20 -16.285 18.854 -25.887 1.00 37.18 O HETATM 1051 O HOH 21 -5.322 7.766 -27.712 1.00 28.42 O HETATM 1052 O HOH 22 -23.731 17.007 -42.923 1.00 40.98 O HETATM 1053 O HOH 23 -10.439 -0.448 -46.234 1.00 26.50 O HETATM 1054 O HOH 24 -5.708 14.578 -22.987 1.00 40.30 O HETATM 1055 O HOH 25 -14.615 -6.836 -36.667 1.00 21.91 O HETATM 1056 O HOH 26 -22.012 -4.552 -38.530 1.00 36.98 O HETATM 1057 O HOH 27 -32.088 15.554 -37.428 1.00 18.26 O HETATM 1058 O HOH 28 -7.172 17.600 -31.210 1.00 25.94 O HETATM 1059 O HOH 29 -16.614 -5.477 -33.651 1.00 22.75 O HETATM 1060 O HOH 30 -7.359 16.955 -33.673 1.00 34.44 O HETATM 1061 O HOH 31 -1.355 6.484 -30.895 1.00 32.43 O HETATM 1062 O HOH 32 -11.547 13.238 -46.706 1.00 31.10 O HETATM 1063 O HOH 33 -8.868 7.331 -46.354 1.00 30.85 O HETATM 1064 O HOH 34 -3.110 16.261 -28.613 1.00 32.64 O HETATM 1065 O HOH 35 -10.862 17.806 -24.486 1.00 33.13 O HETATM 1066 O HOH 36 -16.900 -5.674 -37.439 1.00 21.45 O HETATM 1067 O HOH 37 -2.223 0.838 -37.293 1.00 33.72 O HETATM 1068 O HOH 38 -14.739 3.515 -50.600 1.00 33.51 O HETATM 1069 O HOH 39 -20.850 2.769 -48.852 1.00 33.41 O HETATM 1070 O HOH 40 -6.714 -0.681 -33.756 1.00 19.68 O HETATM 1071 O HOH 41 -5.125 0.270 -36.705 1.00 23.77 O HETATM 1072 O HOH 42 -20.224 21.142 -31.149 1.00 26.34 O HETATM 1073 O HOH 43 -12.517 -3.116 -48.054 1.00 44.59 O HETATM 1074 O HOH 44 -19.524 15.025 -27.200 1.00 33.45 O HETATM 1075 O HOH 45 -24.250 3.264 -49.244 1.00 30.52 O HETATM 1076 O HOH 46 -27.463 15.906 -28.447 1.00 32.08 O HETATM 1077 O HOH 47 -35.328 6.625 -32.936 1.00 42.94 O HETATM 1078 O HOH 48 -12.645 2.272 -27.596 1.00 31.80 O HETATM 1079 O HOH 49 -33.607 11.471 -35.010 1.00 37.39 O HETATM 1080 O HOH 50 -20.395 -6.581 -30.838 1.00 40.64 O HETATM 1081 O HOH 51 -18.048 -5.739 -31.244 1.00 32.73 O HETATM 1082 O HOH 52 -22.761 18.426 -32.140 1.00 38.61 O HETATM 1083 O HOH 53 -24.802 -4.830 -39.560 1.00 48.09 O HETATM 1084 O HOH 54 -16.209 -1.800 -27.195 1.00 21.75 O HETATM 1085 O HOH 55 -10.788 2.838 -28.206 1.00 35.97 O HETATM 1086 O HOH 56 -0.141 10.272 -31.499 1.00 48.84 O HETATM 1087 O HOH 57 -20.080 -5.070 -39.800 1.00 30.55 O HETATM 1088 O HOH 58 -13.813 3.972 -53.428 1.00 44.38 O HETATM 1089 O HOH 59 -7.771 11.344 -43.706 1.00 39.13 O HETATM 1090 O HOH 60 -8.168 -3.110 -47.456 1.00 41.33 O HETATM 1091 O HOH 61 -4.738 5.689 -25.957 1.00 41.77 O HETATM 1092 O HOH 62 -31.637 3.477 -31.018 1.00 45.76 O HETATM 1093 O HOH 63 -18.587 1.465 -48.190 1.00 38.79 O HETATM 1094 O HOH 64 -13.183 15.908 -48.407 1.00 43.08 O HETATM 1095 O HOH 65 -17.075 3.051 -48.864 1.00 29.37 O HETATM 1096 O HOH 66 -12.725 13.037 -44.385 1.00 20.92 O HETATM 1097 O HOH 67 -20.336 4.560 -50.336 1.00 38.14 O HETATM 1098 O HOH 68 -15.747 21.665 -39.661 1.00 31.19 O HETATM 1099 O HOH 69 -20.004 13.824 -44.615 1.00 19.87 O HETATM 1100 O HOH 70 -15.821 15.037 -50.058 1.00 37.00 O HETATM 1101 N LEU A 71 -20.116 18.836 -48.391 1.00 0.24 N HETATM 1102 CA LEU A 71 -19.035 17.851 -48.369 1.00 0.07 C HETATM 1103 C LEU A 71 -19.575 16.430 -48.278 1.00 0.23 C HETATM 1104 O LEU A 71 -20.335 16.099 -47.363 1.00 -0.39 O HETATM 1105 N LEU A 71 -19.191 15.605 -49.249 1.00 -0.26 N HETATM 1106 CA LEU A 71 -19.502 14.183 -49.218 1.00 0.14 C HETATM 1107 C LEU A 71 -18.778 13.601 -48.017 1.00 0.21 C HETATM 1108 O LEU A 71 -19.368 12.886 -47.214 1.00 -0.39 O HETATM 1109 N LEU A 71 -17.503 13.947 -47.880 1.00 -0.26 N HETATM 1110 CA LEU A 71 -16.761 13.622 -46.669 1.00 0.15 C HETATM 1111 C LEU A 71 -16.365 14.909 -45.973 1.00 0.21 C HETATM 1112 O LEU A 71 -15.792 15.804 -46.586 1.00 -0.39 O HETATM 1113 N LEU A 71 -16.705 15.012 -44.695 1.00 -0.26 N HETATM 1114 CA LEU A 71 -16.274 16.133 -43.887 1.00 0.14 C HETATM 1115 C LEU A 71 -14.768 16.069 -43.655 1.00 0.21 C HETATM 1116 O LEU A 71 -14.232 14.992 -43.398 1.00 -0.39 O HETATM 1117 N LEU A 71 -14.098 17.218 -43.775 1.00 -0.26 N HETATM 1118 CA LEU A 71 -12.647 17.336 -43.558 1.00 0.14 C HETATM 1119 C LEU A 71 -12.303 18.161 -42.330 1.00 0.20 C HETATM 1120 O LEU A 71 -12.826 19.251 -42.158 1.00 -0.39 O HETATM 1121 N LEU A 71 -11.390 17.658 -41.504 1.00 -0.29 N HETATM 1122 CA LEU A 71 -10.912 18.417 -40.351 1.00 0.02 C HETATM 1123 H46 LEU A 71 -10.165 17.822 -39.805 1.00 0.05 H HETATM 1124 H47 LEU A 71 -11.758 18.645 -39.685 1.00 0.05 H HETATM 1125 H48 LEU A 71 -10.453 19.356 -40.695 1.00 0.05 H HETATM 1126 H45 LEU A 71 -11.024 16.743 -41.675 1.00 0.18 H HETATM 1127 CB LEU A 71 -11.964 17.989 -44.766 1.00 0.04 C HETATM 1128 CG LEU A 71 -11.781 17.040 -45.912 1.00 0.04 C HETATM 1129 OD1 LEU A 71 -12.791 16.672 -46.545 1.00 -0.57 O HETATM 1130 OD2 LEU A 71 -10.621 16.671 -46.188 1.00 -0.57 O HETATM 1131 H43 LEU A 71 -10.976 18.358 -44.454 1.00 0.05 H HETATM 1132 H44 LEU A 71 -12.581 18.834 -45.105 1.00 0.05 H HETATM 1133 H42 LEU A 71 -12.241 16.323 -43.424 1.00 0.08 H HETATM 1134 H41 LEU A 71 -14.608 18.041 -44.025 1.00 0.19 H HETATM 1135 CB LEU A 71 -17.026 16.144 -42.560 1.00 0.00 C HETATM 1136 CG LEU A 71 -16.459 17.120 -41.613 1.00 -0.04 C HETATM 1137 CD1 LEU A 71 -16.658 18.473 -41.610 1.00 0.02 C HETATM 1138 NE1 LEU A 71 -15.954 19.047 -40.586 1.00 -0.29 N HETATM 1139 CE2 LEU A 71 -15.274 18.067 -39.911 1.00 0.06 C HETATM 1140 CD2 LEU A 71 -15.568 16.842 -40.537 1.00 -0.02 C HETATM 1141 CE3 LEU A 71 -14.998 15.671 -40.032 1.00 -0.07 C HETATM 1142 CZ3 LEU A 71 -14.165 15.761 -38.939 1.00 -0.08 C HETATM 1143 CH2 LEU A 71 -13.891 16.993 -38.337 1.00 -0.08 C HETATM 1144 CZ2 LEU A 71 -14.435 18.155 -38.807 1.00 -0.04 C HETATM 1145 H38 LEU A 71 -14.220 19.108 -38.337 1.00 0.05 H HETATM 1146 H40 LEU A 71 -13.232 17.027 -37.477 1.00 0.05 H HETATM 1147 H39 LEU A 71 -13.714 14.861 -38.538 1.00 0.05 H HETATM 1148 H37 LEU A 71 -15.207 14.711 -40.491 1.00 0.05 H HETATM 1149 H36 LEU A 71 -15.938 20.052 -40.360 1.00 0.22 H HETATM 1150 H35 LEU A 71 -17.284 19.014 -42.318 1.00 0.08 H HETATM 1151 H33 LEU A 71 -16.971 15.141 -42.112 1.00 0.04 H HETATM 1152 H34 LEU A 71 -18.078 16.403 -42.750 1.00 0.04 H HETATM 1153 H32 LEU A 71 -16.504 17.064 -44.426 1.00 0.08 H HETATM 1154 H31 LEU A 71 -17.271 14.300 -44.281 1.00 0.19 H HETATM 1155 CB LEU A 71 -15.514 12.765 -46.916 1.00 0.04 C HETATM 1156 CG LEU A 71 -15.815 11.328 -47.289 1.00 -0.00 C HETATM 1157 CD1 LEU A 71 -15.943 10.956 -48.617 1.00 -0.02 C HETATM 1158 CE1 LEU A 71 -16.221 9.650 -48.971 1.00 0.01 C HETATM 1159 CZ LEU A 71 -16.382 8.702 -47.997 1.00 0.17 C HETATM 1160 CE2 LEU A 71 -16.262 9.042 -46.671 1.00 0.01 C HETATM 1161 CD2 LEU A 71 -15.977 10.348 -46.319 1.00 -0.02 C HETATM 1162 H28 LEU A 71 -15.879 10.610 -45.272 1.00 0.07 H HETATM 1163 H30 LEU A 71 -16.390 8.288 -45.903 1.00 0.07 H HETATM 1164 OH LEU A 71 -16.593 7.479 -48.374 1.00 -0.20 O HETATM 1165 P LEU A 71 -17.915 6.614 -48.184 1.00 0.13 P HETATM 1166 O1P LEU A 71 -18.633 6.490 -49.528 1.00 -0.67 O HETATM 1167 O2P LEU A 71 -17.483 5.281 -47.709 1.00 -0.67 O HETATM 1168 O3P LEU A 71 -18.832 7.268 -47.154 1.00 -0.67 O HETATM 1169 H29 LEU A 71 -16.311 9.377 -50.016 1.00 0.07 H HETATM 1170 H27 LEU A 71 -15.823 11.704 -49.393 1.00 0.07 H HETATM 1171 H25 LEU A 71 -14.908 12.764 -45.998 1.00 0.06 H HETATM 1172 H26 LEU A 71 -14.938 13.221 -47.735 1.00 0.06 H HETATM 1173 H24 LEU A 71 -17.431 13.055 -46.006 1.00 0.08 H HETATM 1174 H23 LEU A 71 -17.045 14.439 -48.620 1.00 0.19 H HETATM 1175 CB LEU A 71 -19.079 13.497 -50.514 1.00 0.02 C HETATM 1176 CG LEU A 71 -19.551 12.072 -50.635 1.00 -0.05 C HETATM 1177 CD1 LEU A 71 -18.643 11.022 -50.634 1.00 -0.07 C HETATM 1178 CE1 LEU A 71 -19.065 9.703 -50.743 1.00 -0.04 C HETATM 1179 CZ LEU A 71 -20.411 9.424 -50.848 1.00 0.08 C HETATM 1180 CE2 LEU A 71 -21.341 10.451 -50.854 1.00 -0.04 C HETATM 1181 CD2 LEU A 71 -20.904 11.769 -50.746 1.00 -0.07 C HETATM 1182 H19 LEU A 71 -21.631 12.573 -50.748 1.00 0.05 H HETATM 1183 H21 LEU A 71 -22.399 10.231 -50.942 1.00 0.05 H HETATM 1184 OH LEU A 71 -20.818 8.112 -50.953 1.00 -0.34 O HETATM 1185 H22 LEU A 71 -20.058 7.543 -50.932 1.00 0.25 H HETATM 1186 H20 LEU A 71 -18.340 8.897 -50.745 1.00 0.05 H HETATM 1187 H18 LEU A 71 -17.584 11.236 -50.546 1.00 0.05 H HETATM 1188 H16 LEU A 71 -17.980 13.503 -50.566 1.00 0.05 H HETATM 1189 H17 LEU A 71 -19.489 14.070 -51.359 1.00 0.05 H HETATM 1190 H15 LEU A 71 -20.586 14.049 -49.090 1.00 0.08 H HETATM 1191 H14 LEU A 71 -18.674 15.972 -50.022 1.00 0.19 H HETATM 1192 CB LEU A 71 -18.085 18.126 -47.201 1.00 0.01 C HETATM 1193 CG LEU A 71 -18.726 18.548 -45.870 1.00 -0.04 C HETATM 1194 CD1 LEU A 71 -19.313 17.359 -45.108 1.00 -0.06 C HETATM 1195 H8 LEU A 71 -19.759 17.711 -44.166 1.00 0.02 H HETATM 1196 H9 LEU A 71 -18.515 16.634 -44.888 1.00 0.02 H HETATM 1197 H10 LEU A 71 -20.088 16.876 -45.722 1.00 0.02 H HETATM 1198 CD2 LEU A 71 -17.727 19.307 -45.009 1.00 -0.06 C HETATM 1199 H11 LEU A 71 -17.321 20.155 -45.580 1.00 0.02 H HETATM 1200 H12 LEU A 71 -16.907 18.634 -44.719 1.00 0.02 H HETATM 1201 H13 LEU A 71 -18.231 19.681 -44.106 1.00 0.02 H HETATM 1202 H7 LEU A 71 -19.555 19.232 -46.104 1.00 0.03 H HETATM 1203 H5 LEU A 71 -17.401 18.930 -47.511 1.00 0.03 H HETATM 1204 H6 LEU A 71 -17.510 17.207 -47.016 1.00 0.03 H HETATM 1205 H4 LEU A 71 -18.468 17.944 -49.307 1.00 0.11 H HETATM 1206 H1 LEU A 71 -19.725 19.763 -48.452 1.00 0.20 H HETATM 1207 H2 LEU A 71 -20.661 18.756 -47.547 1.00 0.20 H HETATM 1208 H3 LEU A 71 -20.707 18.668 -49.190 1.00 0.20 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 1101 1102 1206 1207 1208 CONECT 1102 1101 1103 1192 1205 CONECT 1103 1102 1104 1105 CONECT 1104 1103 CONECT 1105 1103 1106 1191 CONECT 1106 1105 1107 1175 1190 CONECT 1107 1106 1108 1109 CONECT 1108 1107 CONECT 1109 1107 1110 1174 CONECT 1110 1109 1111 1155 1173 CONECT 1111 1110 1112 1113 CONECT 1112 1111 CONECT 1113 1111 1114 1154 CONECT 1114 1113 1115 1135 1153 CONECT 1115 1114 1116 1117 CONECT 1116 1115 CONECT 1117 1115 1118 1134 CONECT 1118 1117 1119 1127 1133 CONECT 1119 1118 1120 1121 CONECT 1120 1119 CONECT 1121 1119 1122 1126 CONECT 1122 1121 1123 1124 1125 CONECT 1123 1122 CONECT 1124 1122 CONECT 1125 1122 CONECT 1126 1121 CONECT 1127 1118 1128 1131 1132 CONECT 1128 1127 1129 1130 CONECT 1129 1128 CONECT 1130 1128 CONECT 1131 1127 CONECT 1132 1127 CONECT 1133 1118 CONECT 1134 1117 CONECT 1135 1114 1136 1151 1152 CONECT 1136 1135 1137 1140 CONECT 1137 1136 1138 1150 CONECT 1138 1137 1139 1149 CONECT 1139 1138 1140 1144 CONECT 1140 1136 1139 1141 CONECT 1141 1140 1142 1148 CONECT 1142 1141 1143 1147 CONECT 1143 1142 1144 1146 CONECT 1144 1139 1143 1145 CONECT 1145 1144 CONECT 1146 1143 CONECT 1147 1142 CONECT 1148 1141 CONECT 1149 1138 CONECT 1150 1137 CONECT 1151 1135 CONECT 1152 1135 CONECT 1153 1114 CONECT 1154 1113 CONECT 1155 1110 1156 1171 1172 CONECT 1156 1155 1157 1161 CONECT 1157 1156 1158 1170 CONECT 1158 1157 1159 1169 CONECT 1159 1158 1160 1164 CONECT 1160 1159 1161 1163 CONECT 1161 1156 1160 1162 CONECT 1162 1161 CONECT 1163 1160 CONECT 1164 1159 1165 CONECT 1165 1164 1166 1167 1168 CONECT 1166 1165 CONECT 1167 1165 CONECT 1168 1165 CONECT 1169 1158 CONECT 1170 1157 CONECT 1171 1155 CONECT 1172 1155 CONECT 1173 1110 CONECT 1174 1109 CONECT 1175 1106 1176 1188 1189 CONECT 1176 1175 1177 1181 CONECT 1177 1176 1178 1187 CONECT 1178 1177 1179 1186 CONECT 1179 1178 1180 1184 CONECT 1180 1179 1181 1183 CONECT 1181 1176 1180 1182 CONECT 1182 1181 CONECT 1183 1180 CONECT 1184 1179 1185 CONECT 1185 1184 CONECT 1186 1178 CONECT 1187 1177 CONECT 1188 1175 CONECT 1189 1175 CONECT 1190 1106 CONECT 1191 1105 CONECT 1192 1102 1193 1203 1204 CONECT 1193 1192 1194 1198 1202 CONECT 1194 1193 1195 1196 1197 CONECT 1195 1194 CONECT 1196 1194 CONECT 1197 1194 CONECT 1198 1193 1199 1200 1201 CONECT 1199 1198 CONECT 1200 1198 CONECT 1201 1198 CONECT 1202 1193 CONECT 1203 1192 CONECT 1204 1192 CONECT 1205 1102 CONECT 1206 1101 CONECT 1207 1101 CONECT 1208 1101 MASTER 0 0 0 0 0 0 0 0 1207 1 112 8 END
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1uj0
RCSB PDB
PDBbind
11-mer
1ukh
RCSB PDB
PDBbind
11-mer
1xn2
RCSB PDB
PDBbind
11-mer
1zh7
RCSB PDB
PDBbind
11-mer
1zub
RCSB PDB
PDBbind
11-mer
2aof
RCSB PDB
PDBbind
11-mer
2aoi
RCSB PDB
PDBbind
11-mer
2bj4
RCSB PDB
PDBbind
11-mer
2bz8
RCSB PDB
PDBbind
11-mer
2cia
RCSB PDB
PDBbind
11-mer
2cv3
RCSB PDB
PDBbind
11-mer
2eh8
RCSB PDB
PDBbind
11-mer
2ez5
RCSB PDB
PDBbind
11-mer
2h2g
RCSB PDB
PDBbind
11-mer
2h2h
RCSB PDB
PDBbind
11-mer
2h9m
RCSB PDB
PDBbind
11-mer
2h9n
RCSB PDB
PDBbind
11-mer
2h9p
RCSB PDB
PDBbind
11-mer
2hdx
RCSB PDB
PDBbind
11-mer
2hmh
RCSB PDB
PDBbind
11-mer
2jdl
RCSB PDB
PDBbind
11-mer
2jkr
RCSB PDB
PDBbind
11-mer
2jkt
RCSB PDB
PDBbind
11-mer
2kpl
RCSB PDB
PDBbind
11-mer
2ks9
RCSB PDB
PDBbind
11-mer
2ksa
RCSB PDB
PDBbind
11-mer
2ksb
RCSB PDB
PDBbind
11-mer
2l3r
RCSB PDB
PDBbind
11-mer
2m0o
RCSB PDB
PDBbind
11-mer
2m3m
RCSB PDB
PDBbind
11-mer
2m3o
RCSB PDB
PDBbind
11-mer
2o9k
RCSB PDB
PDBbind
11-mer
2or9
RCSB PDB
PDBbind
11-mer
2qhr
RCSB PDB
PDBbind
11-mer
2r02
RCSB PDB
PDBbind
11-mer
2r05
RCSB PDB
PDBbind
11-mer
2w9r
RCSB PDB
PDBbind
11-mer
2wfj
RCSB PDB
PDBbind
11-mer
2x2c
RCSB PDB
PDBbind
11-mer
2z6w
RCSB PDB
PDBbind
11-mer
3asl
RCSB PDB
PDBbind
11-mer
3ax5
RCSB PDB
PDBbind
11-mer
3dpo
RCSB PDB
PDBbind
11-mer
3e8u
RCSB PDB
PDBbind
11-mer
3eov
RCSB PDB
PDBbind
11-mer
3eyf
RCSB PDB
PDBbind
11-mer
3gxz
RCSB PDB
PDBbind
11-mer
3i90
RCSB PDB
PDBbind
11-mer
3iiw
RCSB PDB
PDBbind
11-mer
3iiy
RCSB PDB
PDBbind
11-mer
3ij0
RCSB PDB
PDBbind
11-mer
3ij1
RCSB PDB
PDBbind
11-mer
3lgl
RCSB PDB
PDBbind
11-mer
3ll8
RCSB PDB
PDBbind
11-mer
3m53
RCSB PDB
PDBbind
11-mer
3m54
RCSB PDB
PDBbind
11-mer
3m55
RCSB PDB
PDBbind
11-mer
3m56
RCSB PDB
PDBbind
11-mer
3m57
RCSB PDB
PDBbind
11-mer
3m58
RCSB PDB
PDBbind
11-mer
3m59
RCSB PDB
PDBbind
11-mer
3m5a
RCSB PDB
PDBbind
11-mer
3me9
RCSB PDB
PDBbind
11-mer
3mea
RCSB PDB
PDBbind
11-mer
3met
RCSB PDB
PDBbind
11-mer
3oap
RCSB PDB
PDBbind
11-mer
3odi
RCSB PDB
PDBbind
11-mer
3odl
RCSB PDB
PDBbind
11-mer
3p4f
RCSB PDB
PDBbind
11-mer
3p9h
RCSB PDB
PDBbind
11-mer
3pqz
RCSB PDB
PDBbind
11-mer
3qzv
RCSB PDB
PDBbind
11-mer
3rbq
RCSB PDB
PDBbind
11-mer
3rl7
RCSB PDB
PDBbind
11-mer
3rl8
RCSB PDB
PDBbind
11-mer
3rwd
RCSB PDB
PDBbind
11-mer
3tg5
RCSB PDB
PDBbind
11-mer
3u0t
RCSB PDB
PDBbind
11-mer
3uvk
RCSB PDB
PDBbind
11-mer
3uvl
RCSB PDB
PDBbind
11-mer
3uvn
RCSB PDB
PDBbind
11-mer
3uvo
RCSB PDB
PDBbind
11-mer
3uvx
RCSB PDB
PDBbind
11-mer
3uw9
RCSB PDB
PDBbind
11-mer
3v2x
RCSB PDB
PDBbind
11-mer
3va4
RCSB PDB
PDBbind
11-mer
3zke
RCSB PDB
PDBbind
11-mer
3zkf
RCSB PDB
PDBbind
11-mer
4aa2
RCSB PDB
PDBbind
11-mer
4b8o
RCSB PDB
PDBbind
11-mer
4bd3
RCSB PDB
PDBbind
11-mer
4ds1
RCSB PDB
PDBbind
11-mer
4e9c
RCSB PDB
PDBbind
11-mer
4fgy
RCSB PDB
PDBbind
11-mer
4g69
RCSB PDB
PDBbind
11-mer
4ht6
RCSB PDB
PDBbind
11-mer
4htp
RCSB PDB
PDBbind
11-mer
4hyb
RCSB PDB
PDBbind
11-mer
4j7i
RCSB PDB
PDBbind
11-mer
4j8g
RCSB PDB
PDBbind
11-mer
4jjm
RCSB PDB
PDBbind
11-mer
4ln2
RCSB PDB
PDBbind
11-mer
4n7g
RCSB PDB
PDBbind
11-mer
4n7y
RCSB PDB
PDBbind
11-mer
4o3t
RCSB PDB
PDBbind
11-mer
4o62
RCSB PDB
PDBbind
11-mer
4pl6
RCSB PDB
PDBbind
11-mer
4pli
RCSB PDB
PDBbind
11-mer
4pr5
RCSB PDB
PDBbind
11-mer
4pra
RCSB PDB
PDBbind
11-mer
4prb
RCSB PDB
PDBbind
11-mer
4prd
RCSB PDB
PDBbind
11-mer
4pre
RCSB PDB
PDBbind
11-mer
4prh
RCSB PDB
PDBbind
11-mer
4pri
RCSB PDB
PDBbind
11-mer
4prn
RCSB PDB
PDBbind
11-mer
4prp
RCSB PDB
PDBbind
11-mer
4pxf
RCSB PDB
PDBbind
11-mer
4qc1
RCSB PDB
PDBbind
11-mer
4qyo
RCSB PDB
PDBbind
11-mer
4tk1
RCSB PDB
PDBbind
11-mer
4tk2
RCSB PDB
PDBbind
11-mer
4tk3
RCSB PDB
PDBbind
11-mer
4tk4
RCSB PDB
PDBbind
11-mer
4tmp
RCSB PDB
PDBbind
11-mer
4u68
RCSB PDB
PDBbind
11-mer
4u91
RCSB PDB
PDBbind
11-mer
4w5a
RCSB PDB
PDBbind
11-mer
4wph
RCSB PDB
PDBbind
11-mer
4x6s
RCSB PDB
PDBbind
11-mer
4xc2
RCSB PDB
PDBbind
11-mer
4yje
RCSB PDB
PDBbind
11-mer
4yk6
RCSB PDB
PDBbind
11-mer
4yv9
RCSB PDB
PDBbind
11-mer
4yy6
RCSB PDB
PDBbind
11-mer
4yyi
RCSB PDB
PDBbind
11-mer
4yym
RCSB PDB
PDBbind
11-mer
4yyn
RCSB PDB
PDBbind
11-mer
5a0e
RCSB PDB
PDBbind
11-mer
5agu
RCSB PDB
PDBbind
11-mer
5agv
RCSB PDB
PDBbind
11-mer
5ah2
RCSB PDB
PDBbind
11-mer
5awt
RCSB PDB
PDBbind
11-mer
5awu
RCSB PDB
PDBbind
11-mer
5b6c
RCSB PDB
PDBbind
11-mer
5c6v
RCSB PDB
PDBbind
11-mer
5c7e
RCSB PDB
PDBbind
11-mer
5c7f
RCSB PDB
PDBbind
11-mer
5csz
RCSB PDB
PDBbind
11-mer
5dah
RCSB PDB
PDBbind
11-mer
5ewz
RCSB PDB
PDBbind
11-mer
5ez0
RCSB PDB
PDBbind
11-mer
5hpm
RCSB PDB
PDBbind
11-mer
5ick
RCSB PDB
PDBbind
11-mer
5id0
RCSB PDB
PDBbind
11-mer
5igq
RCSB PDB
PDBbind
11-mer
5jin
RCSB PDB
PDBbind
11-mer
5jiy
RCSB PDB
PDBbind
11-mer
5jm4
RCSB PDB
PDBbind
11-mer
5kez
RCSB PDB
PDBbind
11-mer
5l3f
RCSB PDB
PDBbind
11-mer
5l3g
RCSB PDB
PDBbind
11-mer
5lgq
RCSB PDB
PDBbind
11-mer
5mlw
RCSB PDB
PDBbind
11-mer
5nne
RCSB PDB
PDBbind
11-mer
5svx
RCSB PDB
PDBbind
11-mer
5svy
RCSB PDB
PDBbind
11-mer
5tdr
RCSB PDB
PDBbind
11-mer
5tdw
RCSB PDB
PDBbind
11-mer
5tq1
RCSB PDB
PDBbind
11-mer
5vlk
RCSB PDB
PDBbind
11-mer
5xhz
RCSB PDB
PDBbind
11-mer
5ygd
RCSB PDB
PDBbind
11-mer
6au5
RCSB PDB
PDBbind
11-mer
6axj
RCSB PDB
PDBbind
11-mer
6axp
RCSB PDB
PDBbind
11-mer
6ayn
RCSB PDB
PDBbind
11-mer
6azk
RCSB PDB
PDBbind
11-mer
6azl
RCSB PDB
PDBbind
11-mer
6ct7
RCSB PDB
PDBbind
11-mer
6g0q
RCSB PDB
PDBbind
11-mer
6qzr
RCSB PDB
PDBbind
11-mer
6qtw
RCSB PDB
PDBbind
11-mer
6qs1
RCSB PDB
PDBbind
11-mer
6om2
RCSB PDB
PDBbind
11-mer
6i5n
RCSB PDB
PDBbind
11-mer
6i5j
RCSB PDB
PDBbind
11-mer
6i4x
RCSB PDB
PDBbind
11-mer
6hks
RCSB PDB
PDBbind
11-mer
6gy5
RCSB PDB
PDBbind
11-mer
6g8q
RCSB PDB
PDBbind
11-mer
6g8p
RCSB PDB
PDBbind
11-mer
6g8l
RCSB PDB
PDBbind
11-mer
6g8k
RCSB PDB
PDBbind
11-mer
6g8j
RCSB PDB
PDBbind
11-mer
6g8i
RCSB PDB
PDBbind
11-mer
6g6x
RCSB PDB
PDBbind
11-mer
Entry Information
PDB ID
5tqs
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1
Ligand Name
11-mer
EC.Number
E.C.-.-.-.-
Resolution
1.88(Å)
Affinity (Kd/Ki/IC50)
Kd=1.39uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Biochemistry Vol. 56: pp. 2225-2237
Ligand Properties
Formula
C
4
0
H
5
2
N
7
O
1
2
P
Molecular Weight
853.854
Exact Mass
853.341
No. of atoms
112
No. of bonds
115
Polar Surface Area
329.97
LOGP Value
0.35 (
Computed with XLOGP3
)
1.71 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 8
No. of Hydrogen Bond Acceptors: 11
No. of Rotatable Bonds: 25
No. of Nitrogen and Oxygen Atoms: 19
No. of Rings: 4
Canonical SMILES
CNC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[NH3+])Cc1ccc(cc1)O)Cc1ccc(cc1)OP(O)(O)O)CC(=O)O
InChI String
InChI=1S/C40H52N7O12P/c1-22(2)16-29(41)36(51)44-31(17-23-8-12-26(48)13-9-23)38(53)45-32(18-24-10-14-27(15-11-24)59-60(56,57)58)39(54)46-33(19-25-21-43-30-7-5-4-6-28(25)30)40(55)47-34(20-35(49)50)37(52)42-3/h4-15,21-22,29,31-34,43,48,56-58,60H,16-20,41H2,1-3H3,(H,42,52)(H,44,51)(H,45,53)(H,46,54)(H,47,55)(H,49,50)/p+1/t29-,31-,32-,33-,34-/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):
P08487
P04626
Entrez Gene ID
NCBI Entrez Gene ID:
281987
2064
ASD
Information of known allosteric effects of PDB entries
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