Browse entries in the PDBbind-CN Database
HEADER 5OVV_COMPLEX COMPND 5OVV_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 99 TYR PHE GLN SER VAL ALA ILE LEU GLN LYS ARG ASP HIS SEQRES 2 A 99 GLU GLY PHE GLY PHE VAL LEU ARG GLY ALA LYS ALA GLU SEQRES 3 A 99 THR PRO ILE GLU GLU PHE THR PRO THR PRO ALA PHE PRO SEQRES 4 A 99 ALA LEU GLN TYR LEU GLU SER VAL ASP VAL GLU GLY VAL SEQRES 5 A 99 ALA TRP LYS ALA GLY LEU ARG THR GLY ASP PHE LEU ILE SEQRES 6 A 99 GLU VAL ASN GLY VAL ASN VAL VAL LYS VAL GLY HIS LYS SEQRES 7 A 99 GLN VAL VAL GLY LEU ILE ARG GLN GLY GLY ASN ARG LEU SEQRES 8 A 99 VAL MET LYS VAL VAL SER VAL THR HET ACE A 239 100 ATOM 1 N TYR A 576 -4.289 -30.454 -5.658 1.00 27.70 N ATOM 2 CA TYR A 576 -4.197 -29.148 -5.029 1.00 24.36 C ATOM 3 C TYR A 576 -2.924 -29.080 -4.199 1.00 22.65 C ATOM 4 O TYR A 576 -2.409 -30.099 -3.723 1.00 24.52 O ATOM 5 CB TYR A 576 -5.435 -28.829 -4.147 1.00 24.51 C ATOM 6 CG TYR A 576 -6.720 -28.570 -4.922 1.00 25.35 C ATOM 7 CD1 TYR A 576 -7.124 -27.271 -5.247 1.00 24.75 C ATOM 8 CD2 TYR A 576 -7.540 -29.617 -5.324 1.00 26.97 C ATOM 9 CE1 TYR A 576 -8.299 -27.026 -5.965 1.00 24.39 C ATOM 10 CE2 TYR A 576 -8.727 -29.379 -6.024 1.00 27.17 C ATOM 11 CZ TYR A 576 -9.095 -28.086 -6.358 1.00 24.36 C ATOM 12 OH TYR A 576 -10.277 -27.880 -7.077 1.00 25.91 O ATOM 13 HH TYR A 576 -10.221 -28.354 -7.944 1.00 0.00 H ATOM 14 HN3 TYR A 576 -4.311 -31.190 -4.924 1.00 0.00 H ATOM 15 HN2 TYR A 576 -3.463 -30.600 -6.273 1.00 0.00 H ATOM 16 HN1 TYR A 576 -5.159 -30.503 -6.226 1.00 0.00 H ATOM 17 N PHE A 577 -2.405 -27.868 -4.052 1.00 21.03 N ATOM 18 CA PHE A 577 -1.186 -27.614 -3.301 1.00 19.05 C ATOM 19 C PHE A 577 -1.464 -26.623 -2.189 1.00 17.07 C ATOM 20 O PHE A 577 -2.169 -25.638 -2.397 1.00 16.60 O ATOM 21 CB PHE A 577 -0.135 -27.016 -4.217 1.00 20.08 C ATOM 22 CG PHE A 577 0.122 -27.839 -5.431 1.00 23.76 C ATOM 23 CD1 PHE A 577 1.101 -28.817 -5.418 1.00 25.25 C ATOM 24 CD2 PHE A 577 -0.634 -27.659 -6.580 1.00 24.95 C ATOM 25 CE1 PHE A 577 1.350 -29.594 -6.541 1.00 26.20 C ATOM 26 CE2 PHE A 577 -0.400 -28.436 -7.721 1.00 26.10 C ATOM 27 CZ PHE A 577 0.596 -29.407 -7.702 1.00 28.28 C ATOM 28 H PHE A 577 -2.892 -27.063 -4.494 1.00 0.00 H ATOM 29 N GLN A 578 -0.860 -26.856 -1.025 1.00 16.74 N ATOM 30 CA GLN A 578 -1.142 -26.028 0.128 1.00 17.02 C ATOM 31 C GLN A 578 -0.354 -24.731 0.073 1.00 15.95 C ATOM 32 O GLN A 578 0.823 -24.709 -0.311 1.00 18.03 O ATOM 33 CB GLN A 578 -0.788 -26.769 1.416 1.00 23.88 C ATOM 34 CG GLN A 578 -1.244 -26.036 2.646 1.00 29.03 C ATOM 35 CD GLN A 578 -1.050 -26.857 3.897 1.00 33.92 C ATOM 36 OE1 GLN A 578 -1.612 -27.946 4.031 1.00 36.73 O ATOM 37 NE2 GLN A 578 -0.232 -26.356 4.809 1.00 34.65 N ATOM 38 HE22 GLN A 578 0.219 -25.432 4.651 1.00 0.00 H ATOM 39 HE21 GLN A 578 -0.041 -26.886 5.683 1.00 0.00 H ATOM 40 H GLN A 578 -0.180 -27.639 -0.944 1.00 0.00 H ATOM 41 N SER A 579 -0.988 -23.651 0.511 1.00 15.83 N ATOM 42 CA SER A 579 -0.246 -22.433 0.777 1.00 16.15 C ATOM 43 C SER A 579 -0.846 -21.722 1.974 1.00 13.30 C ATOM 44 O SER A 579 -2.007 -21.932 2.341 1.00 13.86 O ATOM 45 CB SER A 579 -0.217 -21.490 -0.414 1.00 19.84 C ATOM 46 OG SER A 579 -1.522 -21.101 -0.731 1.00 21.61 O ATOM 47 HG SER A 579 -1.503 -20.487 -1.507 1.00 0.00 H ATOM 48 H SER A 579 -2.016 -23.678 0.664 1.00 0.00 H ATOM 49 N VAL A 580 -0.024 -20.872 2.580 1.00 13.16 N ATOM 50 CA VAL A 580 -0.448 -20.018 3.677 1.00 13.71 C ATOM 51 C VAL A 580 -0.466 -18.580 3.200 1.00 13.06 C ATOM 52 O VAL A 580 0.355 -18.157 2.377 1.00 12.64 O ATOM 53 CB VAL A 580 0.470 -20.122 4.906 1.00 14.88 C ATOM 54 CG1 VAL A 580 -0.117 -19.319 6.038 1.00 15.23 C ATOM 55 CG2 VAL A 580 0.676 -21.561 5.297 1.00 15.82 C ATOM 56 H VAL A 580 0.963 -20.815 2.256 1.00 0.00 H ATOM 57 N ALA A 581 -1.411 -17.822 3.737 1.00 13.31 N ATOM 58 CA ALA A 581 -1.483 -16.397 3.486 1.00 14.71 C ATOM 59 C ALA A 581 -1.849 -15.721 4.787 1.00 13.17 C ATOM 60 O ALA A 581 -2.718 -16.202 5.522 1.00 15.40 O ATOM 61 CB ALA A 581 -2.553 -16.073 2.451 1.00 16.46 C ATOM 62 H ALA A 581 -2.121 -18.263 4.356 1.00 0.00 H ATOM 63 N ILE A 582 -1.185 -14.616 5.074 1.00 11.82 N ATOM 64 CA ILE A 582 -1.533 -13.785 6.215 1.00 13.02 C ATOM 65 C ILE A 582 -2.041 -12.459 5.675 1.00 13.84 C ATOM 66 O ILE A 582 -1.296 -11.702 5.044 1.00 15.99 O ATOM 67 CB ILE A 582 -0.349 -13.615 7.170 1.00 15.33 C ATOM 68 CG1 ILE A 582 0.123 -14.995 7.645 1.00 17.23 C ATOM 69 CG2 ILE A 582 -0.742 -12.711 8.341 1.00 15.64 C ATOM 70 CD1 ILE A 582 1.346 -14.966 8.513 1.00 18.61 C ATOM 71 H ILE A 582 -0.390 -14.332 4.466 1.00 0.00 H ATOM 72 N LEU A 583 -3.319 -12.191 5.913 1.00 12.56 N ATOM 73 CA LEU A 583 -3.982 -10.985 5.438 1.00 12.59 C ATOM 74 C LEU A 583 -4.101 -9.976 6.571 1.00 12.95 C ATOM 75 O LEU A 583 -4.510 -10.325 7.687 1.00 12.59 O ATOM 76 CB LEU A 583 -5.377 -11.302 4.910 1.00 13.68 C ATOM 77 CG LEU A 583 -5.489 -12.429 3.885 1.00 15.63 C ATOM 78 CD1 LEU A 583 -6.866 -12.424 3.244 1.00 15.68 C ATOM 79 CD2 LEU A 583 -4.446 -12.288 2.838 1.00 14.90 C ATOM 80 H LEU A 583 -3.874 -12.876 6.466 1.00 0.00 H ATOM 81 N GLN A 584 -3.730 -8.730 6.287 1.00 13.99 N ATOM 82 CA GLN A 584 -3.860 -7.643 7.245 1.00 13.59 C ATOM 83 C GLN A 584 -4.582 -6.501 6.545 1.00 14.81 C ATOM 84 O GLN A 584 -4.165 -6.070 5.469 1.00 17.30 O ATOM 85 CB GLN A 584 -2.468 -7.205 7.728 1.00 16.36 C ATOM 86 CG GLN A 584 -2.487 -6.138 8.797 1.00 20.15 C ATOM 87 CD GLN A 584 -2.909 -6.667 10.156 1.00 24.40 C ATOM 88 OE1 GLN A 584 -2.450 -7.730 10.590 1.00 27.19 O ATOM 89 NE2 GLN A 584 -3.786 -5.920 10.843 1.00 25.89 N ATOM 90 HE22 GLN A 584 -4.144 -5.033 10.436 1.00 0.00 H ATOM 91 HE21 GLN A 584 -4.108 -6.228 11.783 1.00 0.00 H ATOM 92 H GLN A 584 -3.333 -8.526 5.347 1.00 0.00 H ATOM 93 N LYS A 585 -5.662 -6.017 7.147 1.00 14.42 N ATOM 94 CA LYS A 585 -6.510 -5.012 6.529 1.00 14.80 C ATOM 95 C LYS A 585 -6.766 -3.887 7.526 1.00 16.46 C ATOM 96 O LYS A 585 -6.446 -3.992 8.714 1.00 17.13 O ATOM 97 CB LYS A 585 -7.850 -5.630 6.090 1.00 15.10 C ATOM 98 CG LYS A 585 -8.752 -6.069 7.246 1.00 14.07 C ATOM 99 CD LYS A 585 -10.094 -6.536 6.733 1.00 13.10 C ATOM 100 CE LYS A 585 -11.162 -6.701 7.821 1.00 14.60 C ATOM 101 NZ LYS A 585 -11.560 -5.399 8.425 1.00 16.56 N ATOM 102 HZ1 LYS A 585 -10.727 -4.949 8.856 1.00 0.00 H ATOM 103 HZ2 LYS A 585 -11.946 -4.779 7.685 1.00 0.00 H ATOM 104 HZ3 LYS A 585 -12.283 -5.563 9.154 1.00 0.00 H ATOM 105 H LYS A 585 -5.909 -6.369 8.094 1.00 0.00 H ATOM 106 N ARG A 586 -7.377 -2.811 7.031 1.00 18.22 N ATOM 107 CA ARG A 586 -7.854 -1.718 7.869 1.00 20.92 C ATOM 108 C ARG A 586 -9.268 -2.009 8.353 1.00 20.90 C ATOM 109 O ARG A 586 -9.995 -2.812 7.767 1.00 19.64 O ATOM 110 CB ARG A 586 -7.870 -0.399 7.090 1.00 24.54 C ATOM 111 CG ARG A 586 -6.547 0.002 6.469 1.00 27.67 C ATOM 112 CD ARG A 586 -5.478 0.246 7.535 1.00 31.15 C ATOM 113 NE ARG A 586 -5.825 1.332 8.456 1.00 33.15 N ATOM 114 CZ ARG A 586 -5.427 2.595 8.331 1.00 35.56 C ATOM 115 NH1 ARG A 586 -5.808 3.492 9.237 1.00 36.23 N ATOM 116 NH2 ARG A 586 -4.659 2.971 7.309 1.00 35.82 N ATOM 117 HE ARG A 586 -6.429 1.097 9.270 1.00 0.00 H ATOM 118 HH12 ARG A 586 -5.503 4.482 9.149 1.00 0.00 H ATOM 119 HH11 ARG A 586 -6.411 3.203 10.033 1.00 0.00 H ATOM 120 HH22 ARG A 586 -4.355 3.962 7.224 1.00 0.00 H ATOM 121 HH21 ARG A 586 -4.363 2.273 6.597 1.00 0.00 H ATOM 122 H ARG A 586 -7.520 -2.749 6.003 1.00 0.00 H ATOM 123 N ASP A 587 -9.663 -1.301 9.417 1.00 23.33 N ATOM 124 CA ASP A 587 -10.947 -1.542 10.080 1.00 24.68 C ATOM 125 C ASP A 587 -12.102 -1.657 9.094 1.00 24.37 C ATOM 126 O ASP A 587 -12.936 -2.570 9.195 1.00 24.62 O ATOM 127 CB ASP A 587 -11.271 -0.399 11.049 1.00 27.59 C ATOM 128 CG ASP A 587 -10.571 -0.521 12.378 1.00 32.39 C ATOM 129 OD1 ASP A 587 -10.379 0.529 13.036 1.00 34.64 O ATOM 130 OD2 ASP A 587 -10.225 -1.643 12.779 1.00 34.21 O ATOM 131 H ASP A 587 -9.038 -0.555 9.785 1.00 0.00 H ATOM 132 N HIS A 588 -12.206 -0.705 8.168 1.00 24.94 N ATOM 133 CA HIS A 588 -13.422 -0.546 7.385 1.00 27.39 C ATOM 134 C HIS A 588 -13.344 -1.163 6.003 1.00 27.58 C ATOM 135 O HIS A 588 -14.312 -1.068 5.247 1.00 30.28 O ATOM 136 CB HIS A 588 -13.805 0.931 7.274 1.00 30.20 C ATOM 137 CG HIS A 588 -14.296 1.514 8.557 1.00 32.80 C ATOM 138 ND1 HIS A 588 -13.449 2.039 9.510 1.00 34.93 N ATOM 139 CD2 HIS A 588 -15.550 1.639 9.054 1.00 35.42 C ATOM 140 CE1 HIS A 588 -14.161 2.471 10.536 1.00 36.71 C ATOM 141 NE2 HIS A 588 -15.438 2.241 10.284 1.00 37.43 N ATOM 142 H HIS A 588 -11.404 -0.064 8.002 1.00 0.00 H ATOM 143 N GLU A 589 -12.243 -1.798 5.647 1.00 24.38 N ATOM 144 CA GLU A 589 -12.226 -2.548 4.408 1.00 24.49 C ATOM 145 C GLU A 589 -12.456 -4.023 4.702 1.00 20.63 C ATOM 146 O GLU A 589 -12.485 -4.472 5.850 1.00 20.21 O ATOM 147 CB GLU A 589 -10.931 -2.311 3.631 1.00 27.09 C ATOM 148 CG GLU A 589 -9.716 -2.957 4.217 1.00 26.51 C ATOM 149 CD GLU A 589 -8.437 -2.605 3.455 1.00 27.23 C ATOM 150 OE1 GLU A 589 -8.516 -2.240 2.259 1.00 30.59 O ATOM 151 OE2 GLU A 589 -7.351 -2.695 4.060 1.00 24.97 O ATOM 152 H GLU A 589 -11.396 -1.760 6.250 1.00 0.00 H ATOM 153 N GLY A 590 -12.672 -4.778 3.635 1.00 20.24 N ATOM 154 CA GLY A 590 -12.748 -6.210 3.727 1.00 17.57 C ATOM 155 C GLY A 590 -11.418 -6.831 3.352 1.00 15.37 C ATOM 156 O GLY A 590 -10.471 -6.160 2.951 1.00 16.68 O ATOM 157 H GLY A 590 -12.790 -4.323 2.707 1.00 0.00 H ATOM 158 N PHE A 591 -11.375 -8.147 3.465 1.00 14.62 N ATOM 159 CA PHE A 591 -10.213 -8.881 2.992 1.00 12.73 C ATOM 160 C PHE A 591 -10.236 -9.105 1.490 1.00 13.59 C ATOM 161 O PHE A 591 -9.217 -9.492 0.919 1.00 15.70 O ATOM 162 CB PHE A 591 -10.130 -10.225 3.704 1.00 12.96 C ATOM 163 CG PHE A 591 -9.798 -10.117 5.172 1.00 11.60 C ATOM 164 CD1 PHE A 591 -10.735 -10.420 6.126 1.00 13.20 C ATOM 165 CD2 PHE A 591 -8.519 -9.747 5.588 1.00 12.93 C ATOM 166 CE1 PHE A 591 -10.417 -10.350 7.481 1.00 15.12 C ATOM 167 CE2 PHE A 591 -8.207 -9.652 6.919 1.00 13.99 C ATOM 168 CZ PHE A 591 -9.150 -9.957 7.875 1.00 15.11 C ATOM 169 H PHE A 591 -12.173 -8.658 3.893 1.00 0.00 H ATOM 170 N GLY A 592 -11.373 -8.907 0.834 1.00 12.68 N ATOM 171 CA GLY A 592 -11.403 -8.934 -0.617 1.00 14.19 C ATOM 172 C GLY A 592 -11.608 -10.293 -1.247 1.00 12.02 C ATOM 173 O GLY A 592 -10.965 -10.600 -2.258 1.00 12.33 O ATOM 174 H GLY A 592 -12.250 -8.731 1.364 1.00 0.00 H ATOM 175 N PHE A 593 -12.478 -11.120 -0.672 1.00 11.96 N ATOM 176 CA PHE A 593 -12.855 -12.364 -1.324 1.00 10.50 C ATOM 177 C PHE A 593 -14.281 -12.722 -0.940 1.00 10.85 C ATOM 178 O PHE A 593 -14.819 -12.241 0.058 1.00 12.01 O ATOM 179 CB PHE A 593 -11.914 -13.534 -1.028 1.00 11.23 C ATOM 180 CG PHE A 593 -11.808 -13.936 0.446 1.00 12.05 C ATOM 181 CD1 PHE A 593 -12.626 -14.935 0.975 1.00 13.13 C ATOM 182 CD2 PHE A 593 -10.853 -13.366 1.283 1.00 13.96 C ATOM 183 CE1 PHE A 593 -12.512 -15.335 2.285 1.00 14.00 C ATOM 184 CE2 PHE A 593 -10.735 -13.773 2.608 1.00 13.77 C ATOM 185 CZ PHE A 593 -11.565 -14.759 3.104 1.00 13.71 C ATOM 186 H PHE A 593 -12.891 -10.875 0.250 1.00 0.00 H ATOM 187 N VAL A 594 -14.891 -13.586 -1.745 1.00 10.59 N ATOM 188 CA VAL A 594 -16.202 -14.144 -1.443 1.00 9.87 C ATOM 189 C VAL A 594 -16.011 -15.615 -1.152 1.00 9.67 C ATOM 190 O VAL A 594 -15.403 -16.334 -1.949 1.00 10.32 O ATOM 191 CB VAL A 594 -17.181 -13.937 -2.607 1.00 10.89 C ATOM 192 CG1 VAL A 594 -18.498 -14.679 -2.352 1.00 10.87 C ATOM 193 CG2 VAL A 594 -17.420 -12.453 -2.823 1.00 12.35 C ATOM 194 H VAL A 594 -14.414 -13.874 -2.623 1.00 0.00 H ATOM 195 N LEU A 595 -16.513 -16.052 -0.011 1.00 9.72 N ATOM 196 CA LEU A 595 -16.427 -17.433 0.407 1.00 9.96 C ATOM 197 C LEU A 595 -17.723 -18.133 0.027 1.00 9.16 C ATOM 198 O LEU A 595 -18.811 -17.573 0.210 1.00 10.63 O ATOM 199 CB LEU A 595 -16.268 -17.475 1.931 1.00 11.73 C ATOM 200 CG LEU A 595 -15.953 -18.852 2.502 1.00 12.00 C ATOM 201 CD1 LEU A 595 -14.527 -19.278 2.095 1.00 12.00 C ATOM 202 CD2 LEU A 595 -16.146 -18.865 4.023 1.00 12.46 C ATOM 203 H LEU A 595 -16.991 -15.372 0.614 1.00 0.00 H ATOM 204 N ARG A 596 -17.615 -19.394 -0.391 1.00 9.31 N ATOM 205 CA ARG A 596 -18.778 -20.170 -0.831 1.00 9.83 C ATOM 206 C ARG A 596 -18.693 -21.614 -0.344 1.00 9.49 C ATOM 207 O ARG A 596 -17.614 -22.209 -0.347 1.00 10.78 O ATOM 208 CB ARG A 596 -18.844 -20.167 -2.355 1.00 11.23 C ATOM 209 CG ARG A 596 -20.017 -20.859 -2.959 1.00 12.82 C ATOM 210 CD ARG A 596 -19.975 -20.719 -4.497 1.00 12.48 C ATOM 211 NE ARG A 596 -21.167 -21.298 -5.077 1.00 14.73 N ATOM 212 CZ ARG A 596 -22.311 -20.633 -5.223 1.00 16.49 C ATOM 213 NH1 ARG A 596 -22.396 -19.350 -4.887 1.00 17.80 N ATOM 214 NH2 ARG A 596 -23.372 -21.245 -5.713 1.00 17.61 N ATOM 215 HE ARG A 596 -21.128 -22.287 -5.397 1.00 0.00 H ATOM 216 HH12 ARG A 596 -23.295 -18.840 -5.005 1.00 0.00 H ATOM 217 HH11 ARG A 596 -21.564 -18.856 -4.506 1.00 0.00 H ATOM 218 HH22 ARG A 596 -24.266 -20.725 -5.827 1.00 0.00 H ATOM 219 HH21 ARG A 596 -23.315 -22.247 -5.985 1.00 0.00 H ATOM 220 H ARG A 596 -16.676 -19.841 -0.405 1.00 0.00 H ATOM 221 N GLY A 597 -19.827 -22.169 0.075 1.00 10.07 N ATOM 222 CA GLY A 597 -19.890 -23.563 0.462 1.00 10.70 C ATOM 223 C GLY A 597 -21.135 -23.866 1.276 1.00 9.85 C ATOM 224 O GLY A 597 -21.935 -22.994 1.605 1.00 9.97 O ATOM 225 H GLY A 597 -20.688 -21.588 0.126 1.00 0.00 H ATOM 226 N ALA A 598 -21.263 -25.147 1.604 1.00 10.68 N ATOM 227 CA ALA A 598 -22.475 -25.659 2.225 1.00 12.10 C ATOM 228 C ALA A 598 -22.667 -25.127 3.639 1.00 10.97 C ATOM 229 O ALA A 598 -21.710 -25.019 4.427 1.00 11.68 O ATOM 230 CB ALA A 598 -22.395 -27.179 2.285 1.00 12.69 C ATOM 231 H ALA A 598 -20.477 -25.800 1.412 1.00 0.00 H ATOM 232 N LYS A 599 -23.926 -24.829 3.966 1.00 10.97 N ATOM 233 CA LYS A 599 -24.337 -24.452 5.310 1.00 12.09 C ATOM 234 C LYS A 599 -24.386 -25.695 6.198 1.00 14.83 C ATOM 235 O LYS A 599 -24.462 -26.834 5.721 1.00 14.99 O ATOM 236 CB LYS A 599 -25.699 -23.726 5.277 1.00 13.26 C ATOM 237 CG LYS A 599 -26.867 -24.593 4.783 1.00 16.16 C ATOM 238 CD LYS A 599 -28.119 -23.814 4.245 1.00 20.93 C ATOM 239 CE LYS A 599 -28.769 -22.972 5.305 1.00 21.80 C ATOM 240 NZ LYS A 599 -29.971 -22.235 4.790 1.00 19.88 N ATOM 241 HZ1 LYS A 599 -29.684 -21.608 4.011 1.00 0.00 H ATOM 242 HZ2 LYS A 599 -30.674 -22.919 4.445 1.00 0.00 H ATOM 243 HZ3 LYS A 599 -30.384 -21.669 5.558 1.00 0.00 H ATOM 244 H LYS A 599 -24.651 -24.868 3.222 1.00 0.00 H ATOM 245 N ALA A 600 -24.316 -25.456 7.513 1.00 13.76 N ATOM 246 CA ALA A 600 -24.330 -26.549 8.483 1.00 14.51 C ATOM 247 C ALA A 600 -25.620 -27.363 8.474 1.00 17.17 C ATOM 248 O ALA A 600 -25.638 -28.458 9.051 1.00 19.52 O ATOM 249 CB ALA A 600 -24.050 -26.003 9.885 1.00 15.34 C ATOM 250 H ALA A 600 -24.250 -24.475 7.851 1.00 0.00 H ATOM 251 N GLU A 601 -26.693 -26.868 7.843 1.00 15.97 N ATOM 252 CA GLU A 601 -27.927 -27.641 7.707 1.00 16.88 C ATOM 253 C GLU A 601 -27.791 -28.803 6.723 1.00 17.35 C ATOM 254 O GLU A 601 -28.623 -29.715 6.745 1.00 19.31 O ATOM 255 CB GLU A 601 -29.088 -26.745 7.249 1.00 17.89 C ATOM 256 CG GLU A 601 -29.648 -25.781 8.303 1.00 20.01 C ATOM 257 CD GLU A 601 -28.653 -24.734 8.770 1.00 23.00 C ATOM 258 OE1 GLU A 601 -27.759 -24.349 7.982 1.00 19.51 O ATOM 259 OE2 GLU A 601 -28.761 -24.305 9.951 1.00 28.93 O ATOM 260 H GLU A 601 -26.647 -25.910 7.440 1.00 0.00 H ATOM 261 N THR A 602 -26.793 -28.791 5.842 1.00 16.21 N ATOM 262 CA THR A 602 -26.498 -29.997 5.078 1.00 17.10 C ATOM 263 C THR A 602 -25.766 -30.989 5.977 1.00 19.09 C ATOM 264 O THR A 602 -25.252 -30.612 7.027 1.00 19.67 O ATOM 265 CB THR A 602 -25.640 -29.657 3.859 1.00 18.21 C ATOM 266 OG1 THR A 602 -24.301 -29.305 4.273 1.00 20.56 O ATOM 267 CG2 THR A 602 -26.263 -28.503 3.072 1.00 18.51 C ATOM 268 HG1 THR A 602 -24.338 -28.518 4.873 1.00 0.00 H ATOM 269 H THR A 602 -26.229 -27.929 5.700 1.00 0.00 H ATOM 270 N PRO A 603 -25.719 -32.281 5.604 1.00 23.50 N ATOM 271 CA PRO A 603 -25.090 -33.262 6.516 1.00 25.89 C ATOM 272 C PRO A 603 -23.568 -33.220 6.432 1.00 27.09 C ATOM 273 O PRO A 603 -22.883 -34.020 5.798 1.00 24.90 O ATOM 274 CB PRO A 603 -25.701 -34.592 6.065 1.00 27.19 C ATOM 275 CG PRO A 603 -26.082 -34.398 4.654 1.00 27.91 C ATOM 276 CD PRO A 603 -26.361 -32.927 4.449 1.00 25.74 C ATOM 277 N ILE A 604 -23.012 -32.208 7.093 1.00 28.78 N ATOM 278 CA ILE A 604 -21.572 -32.025 7.052 1.00 28.93 C ATOM 279 C ILE A 604 -20.871 -33.144 7.801 1.00 29.04 C ATOM 280 O ILE A 604 -19.683 -33.405 7.552 1.00 27.14 O ATOM 281 CB ILE A 604 -21.210 -30.624 7.566 1.00 30.59 C ATOM 282 CG1 ILE A 604 -21.821 -30.425 8.931 1.00 29.71 C ATOM 283 CG2 ILE A 604 -21.737 -29.527 6.607 1.00 31.86 C ATOM 284 CD1 ILE A 604 -21.330 -29.248 9.579 1.00 29.84 C ATOM 285 H ILE A 604 -23.606 -31.550 7.637 1.00 0.00 H ATOM 286 N GLU A 605 -21.589 -33.840 8.694 1.00 30.83 N ATOM 287 CA GLU A 605 -21.016 -35.007 9.354 1.00 34.31 C ATOM 288 C GLU A 605 -20.682 -36.112 8.362 1.00 35.66 C ATOM 289 O GLU A 605 -19.844 -36.968 8.667 1.00 36.86 O ATOM 290 CB GLU A 605 -21.952 -35.538 10.453 1.00 35.70 C ATOM 291 CG GLU A 605 -23.276 -36.139 9.970 1.00 36.64 C ATOM 292 CD GLU A 605 -24.381 -35.114 9.789 1.00 37.74 C ATOM 293 OE1 GLU A 605 -25.549 -35.536 9.635 1.00 38.26 O ATOM 294 OE2 GLU A 605 -24.090 -33.897 9.801 1.00 38.30 O ATOM 295 H GLU A 605 -22.561 -33.546 8.917 1.00 0.00 H ATOM 296 N GLU A 606 -21.301 -36.100 7.179 1.00 34.60 N ATOM 297 CA GLU A 606 -21.076 -37.113 6.159 1.00 34.82 C ATOM 298 C GLU A 606 -20.068 -36.685 5.099 1.00 33.14 C ATOM 299 O GLU A 606 -19.728 -37.491 4.229 1.00 33.46 O ATOM 300 CB GLU A 606 -22.399 -37.460 5.477 1.00 37.02 C ATOM 301 CG GLU A 606 -23.468 -37.932 6.446 1.00 40.02 C ATOM 302 CD GLU A 606 -24.820 -38.077 5.793 1.00 43.22 C ATOM 303 OE1 GLU A 606 -24.884 -38.001 4.548 1.00 44.83 O ATOM 304 OE2 GLU A 606 -25.822 -38.257 6.524 1.00 44.40 O ATOM 305 H GLU A 606 -21.974 -35.333 6.978 1.00 0.00 H ATOM 306 N PHE A 607 -19.584 -35.448 5.145 1.00 31.62 N ATOM 307 CA PHE A 607 -18.682 -34.958 4.114 1.00 31.31 C ATOM 308 C PHE A 607 -17.375 -35.736 4.158 1.00 31.07 C ATOM 309 O PHE A 607 -16.745 -35.861 5.213 1.00 31.15 O ATOM 310 CB PHE A 607 -18.417 -33.462 4.311 1.00 29.92 C ATOM 311 CG PHE A 607 -17.390 -32.898 3.371 1.00 27.02 C ATOM 312 CD1 PHE A 607 -17.633 -32.838 2.016 1.00 24.94 C ATOM 313 CD2 PHE A 607 -16.188 -32.427 3.842 1.00 27.24 C ATOM 314 CE1 PHE A 607 -16.696 -32.322 1.152 1.00 22.92 C ATOM 315 CE2 PHE A 607 -15.246 -31.906 2.972 1.00 25.33 C ATOM 316 CZ PHE A 607 -15.503 -31.859 1.628 1.00 22.47 C ATOM 317 H PHE A 607 -19.854 -34.821 5.930 1.00 0.00 H ATOM 318 N THR A 608 -16.982 -36.272 3.011 1.00 30.09 N ATOM 319 CA THR A 608 -15.732 -37.014 2.885 1.00 29.38 C ATOM 320 C THR A 608 -14.829 -36.231 1.950 1.00 26.53 C ATOM 321 O THR A 608 -15.099 -36.183 0.736 1.00 26.17 O ATOM 322 CB THR A 608 -16.011 -38.399 2.308 1.00 32.40 C ATOM 323 OG1 THR A 608 -16.964 -39.066 3.144 1.00 34.85 O ATOM 324 CG2 THR A 608 -14.728 -39.232 2.225 1.00 33.33 C ATOM 325 HG1 THR A 608 -17.802 -38.539 3.172 1.00 0.00 H ATOM 326 H THR A 608 -17.586 -36.160 2.172 1.00 0.00 H ATOM 327 N PRO A 609 -13.766 -35.596 2.440 1.00 26.92 N ATOM 328 CA PRO A 609 -12.876 -34.873 1.532 1.00 25.98 C ATOM 329 C PRO A 609 -12.281 -35.815 0.505 1.00 26.04 C ATOM 330 O PRO A 609 -12.005 -36.981 0.793 1.00 28.14 O ATOM 331 CB PRO A 609 -11.795 -34.312 2.462 1.00 26.98 C ATOM 332 CG PRO A 609 -12.421 -34.305 3.824 1.00 28.93 C ATOM 333 CD PRO A 609 -13.365 -35.447 3.847 1.00 27.56 C ATOM 334 N THR A 610 -12.099 -35.302 -0.701 1.00 24.67 N ATOM 335 CA THR A 610 -11.427 -36.003 -1.780 1.00 24.64 C ATOM 336 C THR A 610 -10.428 -35.034 -2.381 1.00 23.46 C ATOM 337 O THR A 610 -10.545 -33.819 -2.190 1.00 22.00 O ATOM 338 CB THR A 610 -12.409 -36.411 -2.885 1.00 25.65 C ATOM 339 OG1 THR A 610 -12.954 -35.229 -3.494 1.00 26.31 O ATOM 340 CG2 THR A 610 -13.527 -37.266 -2.324 1.00 27.44 C ATOM 341 HG1 THR A 610 -13.588 -35.490 -4.208 1.00 0.00 H ATOM 342 H THR A 610 -12.457 -34.343 -0.886 1.00 0.00 H ATOM 343 N PRO A 611 -9.454 -35.534 -3.135 1.00 25.34 N ATOM 344 CA PRO A 611 -8.503 -34.621 -3.783 1.00 24.34 C ATOM 345 C PRO A 611 -9.178 -33.539 -4.594 1.00 22.13 C ATOM 346 O PRO A 611 -8.711 -32.398 -4.595 1.00 21.37 O ATOM 347 CB PRO A 611 -7.668 -35.557 -4.663 1.00 26.99 C ATOM 348 CG PRO A 611 -7.766 -36.884 -3.988 1.00 28.81 C ATOM 349 CD PRO A 611 -9.155 -36.943 -3.430 1.00 28.49 C ATOM 350 N ALA A 612 -10.284 -33.861 -5.272 1.00 21.30 N ATOM 351 CA ALA A 612 -10.941 -32.896 -6.144 1.00 18.70 C ATOM 352 C ALA A 612 -11.825 -31.919 -5.386 1.00 16.94 C ATOM 353 O ALA A 612 -12.112 -30.830 -5.892 1.00 17.18 O ATOM 354 CB ALA A 612 -11.797 -33.638 -7.167 1.00 20.85 C ATOM 355 H ALA A 612 -10.682 -34.817 -5.175 1.00 0.00 H ATOM 356 N PHE A 613 -12.321 -32.301 -4.211 1.00 16.83 N ATOM 357 CA PHE A 613 -13.169 -31.434 -3.385 1.00 15.60 C ATOM 358 C PHE A 613 -12.694 -31.651 -1.952 1.00 14.21 C ATOM 359 O PHE A 613 -13.265 -32.456 -1.209 1.00 14.78 O ATOM 360 CB PHE A 613 -14.653 -31.793 -3.564 1.00 16.85 C ATOM 361 CG PHE A 613 -15.627 -30.675 -3.210 1.00 16.98 C ATOM 362 CD1 PHE A 613 -15.909 -30.355 -1.890 1.00 18.09 C ATOM 363 CD2 PHE A 613 -16.288 -29.977 -4.217 1.00 18.39 C ATOM 364 CE1 PHE A 613 -16.802 -29.340 -1.586 1.00 18.01 C ATOM 365 CE2 PHE A 613 -17.179 -28.968 -3.928 1.00 19.30 C ATOM 366 CZ PHE A 613 -17.443 -28.647 -2.610 1.00 18.58 C ATOM 367 H PHE A 613 -12.098 -33.255 -3.863 1.00 0.00 H ATOM 368 N PRO A 614 -11.613 -30.988 -1.549 1.00 13.71 N ATOM 369 CA PRO A 614 -10.959 -31.305 -0.265 1.00 14.58 C ATOM 370 C PRO A 614 -11.489 -30.600 0.979 1.00 14.64 C ATOM 371 O PRO A 614 -11.010 -30.901 2.080 1.00 15.19 O ATOM 372 CB PRO A 614 -9.504 -30.894 -0.535 1.00 15.11 C ATOM 373 CG PRO A 614 -9.623 -29.736 -1.447 1.00 14.26 C ATOM 374 CD PRO A 614 -10.776 -30.083 -2.364 1.00 13.51 C ATOM 375 N ALA A 615 -12.428 -29.673 0.853 1.00 12.70 N ATOM 376 CA ALA A 615 -12.942 -28.931 1.996 1.00 11.60 C ATOM 377 C ALA A 615 -14.293 -28.365 1.601 1.00 11.12 C ATOM 378 O ALA A 615 -14.597 -28.215 0.417 1.00 12.91 O ATOM 379 CB ALA A 615 -11.988 -27.812 2.420 1.00 11.74 C ATOM 380 H ALA A 615 -12.810 -29.469 -0.093 1.00 0.00 H ATOM 381 N LEU A 616 -15.093 -28.022 2.608 1.00 11.82 N ATOM 382 CA LEU A 616 -16.444 -27.564 2.330 1.00 11.61 C ATOM 383 C LEU A 616 -16.480 -26.155 1.760 1.00 10.65 C ATOM 384 O LEU A 616 -17.390 -25.845 0.983 1.00 11.41 O ATOM 385 CB LEU A 616 -17.310 -27.609 3.585 1.00 12.44 C ATOM 386 CG LEU A 616 -17.790 -28.990 4.002 1.00 12.65 C ATOM 387 CD1 LEU A 616 -18.522 -28.929 5.343 1.00 14.83 C ATOM 388 CD2 LEU A 616 -18.680 -29.615 2.929 1.00 11.96 C ATOM 389 H LEU A 616 -14.753 -28.081 3.589 1.00 0.00 H ATOM 390 N GLN A 617 -15.571 -25.271 2.178 1.00 10.95 N ATOM 391 CA GLN A 617 -15.637 -23.877 1.779 1.00 10.34 C ATOM 392 C GLN A 617 -14.493 -23.522 0.838 1.00 9.18 C ATOM 393 O GLN A 617 -13.337 -23.932 1.047 1.00 10.08 O ATOM 394 CB GLN A 617 -15.609 -22.954 2.998 1.00 10.43 C ATOM 395 CG GLN A 617 -16.501 -23.414 4.140 1.00 10.07 C ATOM 396 CD GLN A 617 -17.983 -23.439 3.810 1.00 12.03 C ATOM 397 OE1 GLN A 617 -18.487 -22.600 3.069 1.00 13.61 O ATOM 398 NE2 GLN A 617 -18.708 -24.375 4.425 1.00 11.40 N ATOM 399 HE22 GLN A 617 -18.243 -25.068 5.045 1.00 0.00 H ATOM 400 HE21 GLN A 617 -19.738 -24.411 4.284 1.00 0.00 H ATOM 401 H GLN A 617 -14.801 -25.587 2.801 1.00 0.00 H ATOM 402 N TYR A 618 -14.805 -22.692 -0.152 1.00 9.87 N ATOM 403 CA TYR A 618 -13.822 -22.290 -1.145 1.00 9.28 C ATOM 404 C TYR A 618 -14.076 -20.855 -1.607 1.00 10.27 C ATOM 405 O TYR A 618 -15.102 -20.231 -1.299 1.00 11.05 O ATOM 406 CB TYR A 618 -13.805 -23.289 -2.308 1.00 10.15 C ATOM 407 CG TYR A 618 -15.090 -23.331 -3.126 1.00 12.76 C ATOM 408 CD1 TYR A 618 -16.173 -24.134 -2.746 1.00 13.96 C ATOM 409 CD2 TYR A 618 -15.212 -22.575 -4.279 1.00 12.69 C ATOM 410 CE1 TYR A 618 -17.343 -24.172 -3.516 1.00 15.15 C ATOM 411 CE2 TYR A 618 -16.365 -22.613 -5.047 1.00 14.87 C ATOM 412 CZ TYR A 618 -17.410 -23.399 -4.653 1.00 16.20 C ATOM 413 OH TYR A 618 -18.536 -23.443 -5.438 1.00 17.95 O ATOM 414 HH TYR A 618 -19.201 -24.050 -5.026 1.00 0.00 H ATOM 415 H TYR A 618 -15.775 -22.322 -0.218 1.00 0.00 H ATOM 416 N LEU A 619 -13.126 -20.334 -2.378 1.00 10.76 N ATOM 417 CA LEU A 619 -13.173 -18.942 -2.807 1.00 10.05 C ATOM 418 C LEU A 619 -13.957 -18.849 -4.113 1.00 9.97 C ATOM 419 O LEU A 619 -13.518 -19.342 -5.167 1.00 11.50 O ATOM 420 CB LEU A 619 -11.768 -18.376 -2.962 1.00 11.22 C ATOM 421 CG LEU A 619 -10.889 -18.375 -1.720 1.00 11.88 C ATOM 422 CD1 LEU A 619 -9.637 -17.556 -1.998 1.00 13.26 C ATOM 423 CD2 LEU A 619 -11.618 -17.829 -0.503 1.00 13.39 C ATOM 424 H LEU A 619 -12.332 -20.933 -2.682 1.00 0.00 H ATOM 425 N GLU A 620 -15.105 -18.194 -4.034 1.00 10.20 N ATOM 426 CA GLU A 620 -15.919 -17.923 -5.212 1.00 10.04 C ATOM 427 C GLU A 620 -15.318 -16.816 -6.072 1.00 10.33 C ATOM 428 O GLU A 620 -15.467 -16.829 -7.300 1.00 10.74 O ATOM 429 CB GLU A 620 -17.329 -17.549 -4.746 1.00 11.59 C ATOM 430 CG GLU A 620 -18.212 -16.908 -5.831 1.00 13.51 C ATOM 431 CD GLU A 620 -19.655 -16.735 -5.410 1.00 15.97 C ATOM 432 OE1 GLU A 620 -20.128 -17.429 -4.488 1.00 15.59 O ATOM 433 OE2 GLU A 620 -20.326 -15.895 -6.040 1.00 18.53 O ATOM 434 H GLU A 620 -15.435 -17.864 -3.105 1.00 0.00 H ATOM 435 N SER A 621 -14.706 -15.818 -5.449 1.00 11.45 N ATOM 436 CA SER A 621 -14.046 -14.732 -6.166 1.00 11.26 C ATOM 437 C SER A 621 -13.022 -14.089 -5.246 1.00 12.18 C ATOM 438 O SER A 621 -13.094 -14.204 -4.015 1.00 12.24 O ATOM 439 CB SER A 621 -15.033 -13.678 -6.645 1.00 13.17 C ATOM 440 OG SER A 621 -15.726 -13.121 -5.542 1.00 14.67 O ATOM 441 HG SER A 621 -16.365 -12.437 -5.866 1.00 0.00 H ATOM 442 H SER A 621 -14.696 -15.809 -4.409 1.00 0.00 H ATOM 443 N VAL A 622 -12.060 -13.413 -5.868 1.00 11.80 N ATOM 444 CA VAL A 622 -11.042 -12.653 -5.146 1.00 11.72 C ATOM 445 C VAL A 622 -10.902 -11.294 -5.821 1.00 12.84 C ATOM 446 O VAL A 622 -10.654 -11.215 -7.035 1.00 14.58 O ATOM 447 CB VAL A 622 -9.692 -13.384 -5.098 1.00 11.46 C ATOM 448 CG1 VAL A 622 -8.686 -12.556 -4.311 1.00 12.87 C ATOM 449 CG2 VAL A 622 -9.857 -14.752 -4.436 1.00 13.06 C ATOM 450 H VAL A 622 -12.031 -13.426 -6.908 1.00 0.00 H ATOM 451 N ASP A 623 -11.080 -10.225 -5.039 1.00 11.89 N ATOM 452 CA ASP A 623 -11.054 -8.857 -5.562 1.00 12.58 C ATOM 453 C ASP A 623 -9.653 -8.506 -6.052 1.00 12.66 C ATOM 454 O ASP A 623 -8.707 -8.488 -5.256 1.00 13.36 O ATOM 455 CB ASP A 623 -11.468 -7.932 -4.416 1.00 15.28 C ATOM 456 CG ASP A 623 -11.541 -6.465 -4.803 1.00 18.71 C ATOM 457 OD1 ASP A 623 -11.136 -6.088 -5.907 1.00 19.49 O ATOM 458 OD2 ASP A 623 -12.030 -5.676 -3.963 1.00 24.30 O ATOM 459 H ASP A 623 -11.243 -10.370 -4.022 1.00 0.00 H ATOM 460 N VAL A 624 -9.519 -8.167 -7.346 1.00 13.48 N ATOM 461 CA VAL A 624 -8.182 -7.932 -7.898 1.00 14.99 C ATOM 462 C VAL A 624 -7.519 -6.727 -7.238 1.00 16.08 C ATOM 463 O VAL A 624 -6.297 -6.577 -7.303 1.00 17.05 O ATOM 464 CB VAL A 624 -8.179 -7.812 -9.439 1.00 15.79 C ATOM 465 CG1 VAL A 624 -8.716 -9.084 -10.056 1.00 16.23 C ATOM 466 CG2 VAL A 624 -8.981 -6.592 -9.917 1.00 16.44 C ATOM 467 H VAL A 624 -10.359 -8.072 -7.952 1.00 0.00 H ATOM 468 N GLU A 625 -8.296 -5.857 -6.604 1.00 17.48 N ATOM 469 CA GLU A 625 -7.769 -4.668 -5.944 1.00 19.76 C ATOM 470 C GLU A 625 -7.453 -4.876 -4.466 1.00 19.42 C ATOM 471 O GLU A 625 -7.016 -3.931 -3.805 1.00 20.17 O ATOM 472 CB GLU A 625 -8.790 -3.532 -6.073 1.00 21.73 C ATOM 473 CG GLU A 625 -9.204 -3.274 -7.523 1.00 24.31 C ATOM 474 CD GLU A 625 -10.234 -2.169 -7.670 1.00 27.47 C ATOM 475 OE1 GLU A 625 -10.614 -1.550 -6.647 1.00 28.81 O ATOM 476 OE2 GLU A 625 -10.654 -1.913 -8.823 1.00 28.37 O ATOM 477 H GLU A 625 -9.321 -6.030 -6.577 1.00 0.00 H ATOM 478 N GLY A 626 -7.647 -6.079 -3.925 1.00 15.90 N ATOM 479 CA GLY A 626 -7.756 -6.271 -2.502 1.00 15.10 C ATOM 480 C GLY A 626 -6.590 -7.010 -1.870 1.00 14.11 C ATOM 481 O GLY A 626 -5.633 -7.436 -2.514 1.00 14.02 O ATOM 482 H GLY A 626 -7.722 -6.906 -4.551 1.00 0.00 H ATOM 483 N VAL A 627 -6.729 -7.166 -0.556 1.00 13.88 N ATOM 484 CA VAL A 627 -5.688 -7.740 0.276 1.00 14.22 C ATOM 485 C VAL A 627 -5.459 -9.205 -0.071 1.00 11.63 C ATOM 486 O VAL A 627 -4.313 -9.688 -0.103 1.00 13.50 O ATOM 487 CB VAL A 627 -6.092 -7.539 1.751 1.00 18.17 C ATOM 488 CG1 VAL A 627 -5.122 -8.213 2.687 1.00 21.84 C ATOM 489 CG2 VAL A 627 -6.190 -6.043 2.037 1.00 17.06 C ATOM 490 H VAL A 627 -7.618 -6.865 -0.108 1.00 0.00 H ATOM 491 N ALA A 628 -6.534 -9.960 -0.283 1.00 10.67 N ATOM 492 CA ALA A 628 -6.359 -11.385 -0.544 1.00 11.23 C ATOM 493 C ALA A 628 -5.660 -11.631 -1.876 1.00 11.66 C ATOM 494 O ALA A 628 -4.816 -12.526 -1.978 1.00 10.88 O ATOM 495 CB ALA A 628 -7.713 -12.082 -0.509 1.00 10.88 C ATOM 496 H ALA A 628 -7.485 -9.540 -0.263 1.00 0.00 H ATOM 497 N TRP A 629 -5.995 -10.848 -2.902 1.00 10.92 N ATOM 498 CA TRP A 629 -5.309 -10.958 -4.186 1.00 11.91 C ATOM 499 C TRP A 629 -3.806 -10.745 -4.029 1.00 11.98 C ATOM 500 O TRP A 629 -2.993 -11.462 -4.630 1.00 12.42 O ATOM 501 CB TRP A 629 -5.897 -9.933 -5.162 1.00 14.13 C ATOM 502 CG TRP A 629 -5.313 -10.015 -6.547 1.00 14.36 C ATOM 503 CD1 TRP A 629 -4.213 -9.362 -7.026 1.00 14.85 C ATOM 504 CD2 TRP A 629 -5.821 -10.778 -7.630 1.00 14.34 C ATOM 505 NE1 TRP A 629 -4.006 -9.678 -8.341 1.00 16.84 N ATOM 506 CE2 TRP A 629 -4.977 -10.552 -8.740 1.00 15.11 C ATOM 507 CE3 TRP A 629 -6.897 -11.632 -7.772 1.00 15.40 C ATOM 508 CZ2 TRP A 629 -5.183 -11.158 -9.968 1.00 17.50 C ATOM 509 CZ3 TRP A 629 -7.101 -12.209 -8.961 1.00 16.73 C ATOM 510 CH2 TRP A 629 -6.252 -11.988 -10.062 1.00 16.67 C ATOM 511 HE1 TRP A 629 -3.237 -9.313 -8.938 1.00 0.00 H ATOM 512 H TRP A 629 -6.756 -10.149 -2.786 1.00 0.00 H ATOM 513 N LYS A 630 -3.419 -9.734 -3.256 1.00 11.51 N ATOM 514 CA LYS A 630 -2.010 -9.442 -3.068 1.00 13.89 C ATOM 515 C LYS A 630 -1.297 -10.542 -2.306 1.00 14.39 C ATOM 516 O LYS A 630 -0.080 -10.664 -2.429 1.00 16.53 O ATOM 517 CB LYS A 630 -1.877 -8.112 -2.332 1.00 15.26 C ATOM 518 CG LYS A 630 -2.273 -6.895 -3.175 1.00 17.73 C ATOM 519 CD LYS A 630 -2.228 -5.616 -2.344 1.00 20.26 C ATOM 520 CE LYS A 630 -2.530 -4.365 -3.171 1.00 24.72 C ATOM 521 NZ LYS A 630 -3.979 -4.228 -3.533 1.00 26.44 N ATOM 522 HZ1 LYS A 630 -4.275 -5.053 -4.093 1.00 0.00 H ATOM 523 HZ2 LYS A 630 -4.549 -4.175 -2.664 1.00 0.00 H ATOM 524 HZ3 LYS A 630 -4.115 -3.361 -4.092 1.00 0.00 H ATOM 525 H LYS A 630 -4.134 -9.147 -2.781 1.00 0.00 H ATOM 526 N ALA A 631 -2.019 -11.324 -1.510 1.00 14.08 N ATOM 527 CA ALA A 631 -1.441 -12.435 -0.776 1.00 14.55 C ATOM 528 C ALA A 631 -1.375 -13.702 -1.611 1.00 14.55 C ATOM 529 O ALA A 631 -0.922 -14.733 -1.103 1.00 16.49 O ATOM 530 CB ALA A 631 -2.257 -12.720 0.494 1.00 16.49 C ATOM 531 H ALA A 631 -3.036 -11.133 -1.409 1.00 0.00 H ATOM 532 N GLY A 632 -1.825 -13.647 -2.868 1.00 13.14 N ATOM 533 CA GLY A 632 -1.752 -14.777 -3.780 1.00 13.83 C ATOM 534 C GLY A 632 -2.971 -15.681 -3.832 1.00 12.74 C ATOM 535 O GLY A 632 -2.890 -16.756 -4.437 1.00 13.95 O ATOM 536 H GLY A 632 -2.245 -12.759 -3.208 1.00 0.00 H ATOM 537 N LEU A 633 -4.075 -15.325 -3.173 1.00 10.84 N ATOM 538 CA LEU A 633 -5.280 -16.138 -3.214 1.00 11.39 C ATOM 539 C LEU A 633 -6.024 -15.902 -4.520 1.00 11.50 C ATOM 540 O LEU A 633 -6.014 -14.792 -5.071 1.00 11.44 O ATOM 541 CB LEU A 633 -6.192 -15.757 -2.050 1.00 13.23 C ATOM 542 CG LEU A 633 -5.614 -16.047 -0.675 1.00 15.08 C ATOM 543 CD1 LEU A 633 -6.484 -15.524 0.425 1.00 17.57 C ATOM 544 CD2 LEU A 633 -5.411 -17.539 -0.507 1.00 15.92 C ATOM 545 H LEU A 633 -4.074 -14.446 -2.617 1.00 0.00 H ATOM 546 N ARG A 634 -6.700 -16.957 -4.997 1.00 11.43 N ATOM 547 CA ARG A 634 -7.409 -16.938 -6.268 1.00 10.87 C ATOM 548 C ARG A 634 -8.706 -17.738 -6.137 1.00 10.34 C ATOM 549 O ARG A 634 -8.869 -18.588 -5.251 1.00 11.15 O ATOM 550 CB ARG A 634 -6.529 -17.522 -7.369 1.00 10.53 C ATOM 551 CG ARG A 634 -5.252 -16.706 -7.669 1.00 12.41 C ATOM 552 CD ARG A 634 -5.462 -15.305 -8.203 1.00 10.62 C ATOM 553 NE ARG A 634 -4.301 -14.537 -8.620 1.00 12.34 N ATOM 554 CZ ARG A 634 -3.592 -13.748 -7.832 1.00 13.69 C ATOM 555 NH1 ARG A 634 -3.903 -13.617 -6.530 1.00 13.45 N ATOM 556 NH2 ARG A 634 -2.595 -13.069 -8.384 1.00 14.95 N ATOM 557 HE ARG A 634 -4.006 -14.614 -9.614 1.00 0.00 H ATOM 558 HH12 ARG A 634 -3.337 -12.993 -5.920 1.00 0.00 H ATOM 559 HH11 ARG A 634 -4.709 -14.140 -6.133 1.00 0.00 H ATOM 560 HH22 ARG A 634 -2.011 -12.436 -7.801 1.00 0.00 H ATOM 561 HH21 ARG A 634 -2.397 -13.169 -9.400 1.00 0.00 H ATOM 562 H ARG A 634 -6.719 -17.830 -4.432 1.00 0.00 H ATOM 563 N THR A 635 -9.663 -17.405 -6.993 1.00 10.50 N ATOM 564 CA THR A 635 -10.880 -18.196 -7.162 1.00 10.69 C ATOM 565 C THR A 635 -10.548 -19.671 -7.265 1.00 10.84 C ATOM 566 O THR A 635 -9.639 -20.060 -7.994 1.00 11.99 O ATOM 567 CB THR A 635 -11.624 -17.766 -8.436 1.00 11.80 C ATOM 568 OG1 THR A 635 -11.917 -16.357 -8.374 1.00 12.50 O ATOM 569 CG2 THR A 635 -12.890 -18.503 -8.610 1.00 11.39 C ATOM 570 HG1 THR A 635 -12.396 -16.084 -9.196 1.00 0.00 H ATOM 571 H THR A 635 -9.542 -16.546 -7.567 1.00 0.00 H ATOM 572 N GLY A 636 -11.288 -20.485 -6.538 1.00 10.80 N ATOM 573 CA GLY A 636 -11.122 -21.916 -6.572 1.00 10.70 C ATOM 574 C GLY A 636 -10.358 -22.488 -5.407 1.00 9.44 C ATOM 575 O GLY A 636 -10.440 -23.696 -5.170 1.00 13.20 O ATOM 576 H GLY A 636 -12.018 -20.080 -5.918 1.00 0.00 H ATOM 577 N ASP A 637 -9.611 -21.654 -4.689 1.00 9.86 N ATOM 578 CA ASP A 637 -8.843 -22.122 -3.539 1.00 10.22 C ATOM 579 C ASP A 637 -9.797 -22.614 -2.449 1.00 9.32 C ATOM 580 O ASP A 637 -10.819 -21.976 -2.150 1.00 12.77 O ATOM 581 CB ASP A 637 -8.014 -20.973 -2.968 1.00 10.76 C ATOM 582 CG ASP A 637 -6.804 -20.600 -3.854 1.00 12.89 C ATOM 583 OD1 ASP A 637 -6.505 -21.291 -4.848 1.00 14.27 O ATOM 584 OD2 ASP A 637 -6.142 -19.593 -3.545 1.00 16.80 O ATOM 585 H ASP A 637 -9.573 -20.649 -4.952 1.00 0.00 H ATOM 586 N PHE A 638 -9.451 -23.751 -1.846 1.00 10.17 N ATOM 587 CA PHE A 638 -10.235 -24.371 -0.783 1.00 10.15 C ATOM 588 C PHE A 638 -9.651 -23.979 0.559 1.00 9.73 C ATOM 589 O PHE A 638 -8.433 -24.017 0.733 1.00 11.00 O ATOM 590 CB PHE A 638 -10.198 -25.891 -0.935 1.00 11.29 C ATOM 591 CG PHE A 638 -11.155 -26.414 -1.959 1.00 12.60 C ATOM 592 CD1 PHE A 638 -10.762 -26.629 -3.276 1.00 15.77 C ATOM 593 CD2 PHE A 638 -12.458 -26.695 -1.593 1.00 14.66 C ATOM 594 CE1 PHE A 638 -11.689 -27.119 -4.216 1.00 15.29 C ATOM 595 CE2 PHE A 638 -13.384 -27.169 -2.506 1.00 16.82 C ATOM 596 CZ PHE A 638 -13.014 -27.381 -3.812 1.00 16.34 C ATOM 597 H PHE A 638 -8.575 -24.222 -2.150 1.00 0.00 H ATOM 598 N LEU A 639 -10.518 -23.561 1.487 1.00 9.72 N ATOM 599 CA LEU A 639 -10.061 -23.169 2.816 1.00 10.77 C ATOM 600 C LEU A 639 -9.858 -24.393 3.693 1.00 11.52 C ATOM 601 O LEU A 639 -10.756 -25.230 3.832 1.00 11.36 O ATOM 602 CB LEU A 639 -11.068 -22.253 3.501 1.00 11.29 C ATOM 603 CG LEU A 639 -10.903 -20.770 3.238 1.00 11.68 C ATOM 604 CD1 LEU A 639 -11.315 -20.473 1.815 1.00 12.38 C ATOM 605 CD2 LEU A 639 -11.733 -19.988 4.235 1.00 12.90 C ATOM 606 H LEU A 639 -11.532 -23.515 1.259 1.00 0.00 H ATOM 607 N ILE A 640 -8.676 -24.475 4.307 1.00 11.32 N ATOM 608 CA ILE A 640 -8.337 -25.577 5.202 1.00 11.68 C ATOM 609 C ILE A 640 -8.284 -25.137 6.659 1.00 10.67 C ATOM 610 O ILE A 640 -8.738 -25.874 7.534 1.00 12.15 O ATOM 611 CB ILE A 640 -6.990 -26.218 4.795 1.00 13.04 C ATOM 612 CG1 ILE A 640 -6.985 -26.605 3.306 1.00 14.20 C ATOM 613 CG2 ILE A 640 -6.658 -27.387 5.700 1.00 15.19 C ATOM 614 CD1 ILE A 640 -8.079 -27.553 2.885 1.00 13.66 C ATOM 615 H ILE A 640 -7.972 -23.728 4.142 1.00 0.00 H ATOM 616 N GLU A 641 -7.723 -23.961 6.931 1.00 11.43 N ATOM 617 CA GLU A 641 -7.538 -23.469 8.284 1.00 11.79 C ATOM 618 C GLU A 641 -7.758 -21.967 8.337 1.00 10.92 C ATOM 619 O GLU A 641 -7.336 -21.239 7.435 1.00 12.21 O ATOM 620 CB GLU A 641 -6.121 -23.728 8.797 1.00 16.13 C ATOM 621 CG GLU A 641 -5.789 -25.137 9.178 1.00 22.77 C ATOM 622 CD GLU A 641 -4.556 -25.233 10.104 1.00 26.28 C ATOM 623 OE1 GLU A 641 -4.174 -26.375 10.409 1.00 30.56 O ATOM 624 OE2 GLU A 641 -3.966 -24.195 10.523 1.00 24.30 O ATOM 625 H GLU A 641 -7.403 -23.368 6.139 1.00 0.00 H ATOM 626 N VAL A 642 -8.390 -21.518 9.426 1.00 10.57 N ATOM 627 CA VAL A 642 -8.591 -20.106 9.732 1.00 11.30 C ATOM 628 C VAL A 642 -8.032 -19.862 11.132 1.00 12.90 C ATOM 629 O VAL A 642 -8.527 -20.430 12.099 1.00 13.37 O ATOM 630 CB VAL A 642 -10.083 -19.746 9.677 1.00 12.64 C ATOM 631 CG1 VAL A 642 -10.347 -18.378 10.264 1.00 11.93 C ATOM 632 CG2 VAL A 642 -10.609 -19.828 8.232 1.00 15.51 C ATOM 633 H VAL A 642 -8.762 -22.220 10.097 1.00 0.00 H ATOM 634 N ASN A 643 -6.986 -19.047 11.231 1.00 12.10 N ATOM 635 CA ASN A 643 -6.366 -18.697 12.504 1.00 12.30 C ATOM 636 C ASN A 643 -6.162 -19.925 13.393 1.00 13.93 C ATOM 637 O ASN A 643 -6.515 -19.938 14.580 1.00 14.93 O ATOM 638 CB ASN A 643 -7.158 -17.613 13.236 1.00 14.06 C ATOM 639 CG ASN A 643 -7.306 -16.378 12.418 1.00 15.62 C ATOM 640 OD1 ASN A 643 -6.352 -15.940 11.775 1.00 16.31 O ATOM 641 ND2 ASN A 643 -8.510 -15.827 12.387 1.00 16.59 N ATOM 642 HD22 ASN A 643 -9.284 -16.236 12.949 1.00 0.00 H ATOM 643 HD21 ASN A 643 -8.682 -14.986 11.800 1.00 0.00 H ATOM 644 H ASN A 643 -6.591 -18.640 10.359 1.00 0.00 H ATOM 645 N GLY A 644 -5.652 -20.997 12.789 1.00 13.03 N ATOM 646 CA GLY A 644 -5.295 -22.193 13.544 1.00 14.68 C ATOM 647 C GLY A 644 -6.382 -23.215 13.702 1.00 13.81 C ATOM 648 O GLY A 644 -6.123 -24.287 14.269 1.00 17.12 O ATOM 649 H GLY A 644 -5.506 -20.981 11.759 1.00 0.00 H ATOM 650 N VAL A 645 -7.584 -22.934 13.213 1.00 11.72 N ATOM 651 CA VAL A 645 -8.719 -23.822 13.372 1.00 12.18 C ATOM 652 C VAL A 645 -9.001 -24.466 12.030 1.00 11.58 C ATOM 653 O VAL A 645 -9.208 -23.773 11.026 1.00 11.50 O ATOM 654 CB VAL A 645 -9.936 -23.045 13.882 1.00 11.81 C ATOM 655 CG1 VAL A 645 -11.183 -23.911 13.882 1.00 11.71 C ATOM 656 CG2 VAL A 645 -9.629 -22.520 15.280 1.00 14.35 C ATOM 657 H VAL A 645 -7.717 -22.042 12.695 1.00 0.00 H ATOM 658 N ASN A 646 -9.008 -25.789 12.007 1.00 10.97 N ATOM 659 CA ASN A 646 -9.295 -26.508 10.775 1.00 11.65 C ATOM 660 C ASN A 646 -10.767 -26.341 10.435 1.00 13.32 C ATOM 661 O ASN A 646 -11.637 -26.533 11.291 1.00 14.34 O ATOM 662 CB ASN A 646 -8.981 -27.983 10.986 1.00 13.75 C ATOM 663 CG ASN A 646 -9.085 -28.782 9.726 1.00 15.32 C ATOM 664 OD1 ASN A 646 -10.181 -29.063 9.241 1.00 14.10 O ATOM 665 ND2 ASN A 646 -7.936 -29.132 9.162 1.00 17.90 N ATOM 666 HD22 ASN A 646 -7.035 -28.871 9.611 1.00 0.00 H ATOM 667 HD21 ASN A 646 -7.936 -29.668 8.271 1.00 0.00 H ATOM 668 H ASN A 646 -8.806 -26.320 12.878 1.00 0.00 H ATOM 669 N VAL A 647 -11.045 -25.991 9.188 1.00 12.21 N ATOM 670 CA VAL A 647 -12.411 -25.740 8.746 1.00 10.88 C ATOM 671 C VAL A 647 -12.832 -26.648 7.589 1.00 10.27 C ATOM 672 O VAL A 647 -13.846 -26.395 6.944 1.00 10.32 O ATOM 673 CB VAL A 647 -12.634 -24.251 8.412 1.00 10.72 C ATOM 674 CG1 VAL A 647 -12.565 -23.391 9.666 1.00 12.14 C ATOM 675 CG2 VAL A 647 -11.642 -23.771 7.393 1.00 10.58 C ATOM 676 H VAL A 647 -10.267 -25.893 8.505 1.00 0.00 H ATOM 677 N VAL A 648 -12.084 -27.727 7.330 1.00 10.89 N ATOM 678 CA VAL A 648 -12.403 -28.628 6.222 1.00 12.37 C ATOM 679 C VAL A 648 -13.856 -29.084 6.271 1.00 12.02 C ATOM 680 O VAL A 648 -14.533 -29.157 5.229 1.00 12.43 O ATOM 681 CB VAL A 648 -11.438 -29.822 6.259 1.00 13.01 C ATOM 682 CG1 VAL A 648 -11.884 -30.935 5.329 1.00 14.40 C ATOM 683 CG2 VAL A 648 -10.037 -29.345 5.904 1.00 13.15 C ATOM 684 H VAL A 648 -11.258 -27.930 7.929 1.00 0.00 H ATOM 685 N LYS A 649 -14.340 -29.441 7.473 1.00 13.42 N ATOM 686 CA LYS A 649 -15.677 -30.007 7.696 1.00 14.27 C ATOM 687 C LYS A 649 -16.520 -29.090 8.558 1.00 13.59 C ATOM 688 O LYS A 649 -17.263 -29.533 9.434 1.00 17.84 O ATOM 689 CB LYS A 649 -15.616 -31.388 8.339 1.00 16.65 C ATOM 690 CG LYS A 649 -14.904 -32.441 7.511 1.00 21.26 C ATOM 691 CD LYS A 649 -15.384 -33.849 7.882 1.00 26.93 C ATOM 692 CE LYS A 649 -14.484 -34.915 7.259 1.00 31.70 C ATOM 693 NZ LYS A 649 -14.894 -36.326 7.556 1.00 34.62 N ATOM 694 HZ1 LYS A 649 -14.880 -36.481 8.584 1.00 0.00 H ATOM 695 HZ2 LYS A 649 -15.855 -36.490 7.193 1.00 0.00 H ATOM 696 HZ3 LYS A 649 -14.231 -36.982 7.096 1.00 0.00 H ATOM 697 H LYS A 649 -13.726 -29.307 8.302 1.00 0.00 H ATOM 698 N VAL A 650 -16.428 -27.793 8.309 1.00 12.30 N ATOM 699 CA VAL A 650 -17.156 -26.789 9.068 1.00 11.72 C ATOM 700 C VAL A 650 -18.112 -26.036 8.146 1.00 11.80 C ATOM 701 O VAL A 650 -17.789 -25.715 6.999 1.00 12.52 O ATOM 702 CB VAL A 650 -16.194 -25.863 9.867 1.00 10.88 C ATOM 703 CG1 VAL A 650 -16.909 -24.659 10.576 1.00 12.00 C ATOM 704 CG2 VAL A 650 -15.333 -26.684 10.837 1.00 11.64 C ATOM 705 H VAL A 650 -15.807 -27.478 7.536 1.00 0.00 H ATOM 706 N GLY A 651 -19.310 -25.805 8.658 1.00 11.36 N ATOM 707 CA GLY A 651 -20.364 -25.160 7.904 1.00 11.11 C ATOM 708 C GLY A 651 -20.101 -23.693 7.632 1.00 11.27 C ATOM 709 O GLY A 651 -19.312 -23.023 8.312 1.00 10.49 O ATOM 710 H GLY A 651 -19.501 -26.097 9.638 1.00 0.00 H ATOM 711 N HIS A 652 -20.808 -23.203 6.607 1.00 11.33 N ATOM 712 CA HIS A 652 -20.525 -21.897 6.022 1.00 9.77 C ATOM 713 C HIS A 652 -20.591 -20.767 7.053 1.00 10.73 C ATOM 714 O HIS A 652 -19.650 -19.974 7.185 1.00 10.29 O ATOM 715 CB HIS A 652 -21.453 -21.611 4.842 1.00 10.69 C ATOM 716 CG HIS A 652 -21.115 -20.337 4.139 1.00 10.55 C ATOM 717 ND1 HIS A 652 -20.129 -20.259 3.182 1.00 11.57 N ATOM 718 CD2 HIS A 652 -21.605 -19.081 4.274 1.00 10.65 C ATOM 719 CE1 HIS A 652 -20.020 -19.011 2.762 1.00 12.31 C ATOM 720 NE2 HIS A 652 -20.906 -18.277 3.405 1.00 9.83 N ATOM 721 H HIS A 652 -21.585 -23.772 6.214 1.00 0.00 H ATOM 722 N LYS A 653 -21.712 -20.629 7.755 1.00 12.61 N ATOM 723 CA LYS A 653 -21.838 -19.481 8.643 1.00 12.34 C ATOM 724 C LYS A 653 -20.818 -19.531 9.766 1.00 11.76 C ATOM 725 O LYS A 653 -20.343 -18.487 10.227 1.00 11.94 O ATOM 726 CB LYS A 653 -23.230 -19.439 9.255 1.00 15.02 C ATOM 727 CG LYS A 653 -24.281 -18.996 8.280 1.00 17.96 C ATOM 728 CD LYS A 653 -25.578 -18.645 8.987 1.00 25.09 C ATOM 729 CE LYS A 653 -26.052 -17.255 8.625 1.00 30.50 C ATOM 730 NZ LYS A 653 -25.956 -16.955 7.175 1.00 33.62 N ATOM 731 HZ1 LYS A 653 -24.965 -17.035 6.870 1.00 0.00 H ATOM 732 HZ2 LYS A 653 -26.539 -17.632 6.643 1.00 0.00 H ATOM 733 HZ3 LYS A 653 -26.297 -15.988 6.999 1.00 0.00 H ATOM 734 H LYS A 653 -22.481 -21.324 7.672 1.00 0.00 H ATOM 735 N GLN A 654 -20.507 -20.737 10.233 1.00 10.74 N ATOM 736 CA GLN A 654 -19.526 -20.913 11.290 1.00 10.75 C ATOM 737 C GLN A 654 -18.135 -20.477 10.829 1.00 9.96 C ATOM 738 O GLN A 654 -17.392 -19.849 11.589 1.00 11.33 O ATOM 739 CB GLN A 654 -19.558 -22.370 11.748 1.00 10.64 C ATOM 740 CG GLN A 654 -20.874 -22.792 12.481 1.00 12.02 C ATOM 741 CD GLN A 654 -22.072 -23.028 11.615 1.00 12.58 C ATOM 742 OE1 GLN A 654 -21.982 -23.142 10.394 1.00 13.55 O ATOM 743 NE2 GLN A 654 -23.233 -23.142 12.265 1.00 14.60 N ATOM 744 HE22 GLN A 654 -23.262 -23.038 13.299 1.00 0.00 H ATOM 745 HE21 GLN A 654 -24.108 -23.335 11.737 1.00 0.00 H ATOM 746 H GLN A 654 -20.977 -21.574 9.832 1.00 0.00 H ATOM 747 N VAL A 655 -17.743 -20.837 9.603 1.00 10.06 N ATOM 748 CA VAL A 655 -16.452 -20.382 9.080 1.00 11.35 C ATOM 749 C VAL A 655 -16.425 -18.863 8.951 1.00 11.92 C ATOM 750 O VAL A 655 -15.431 -18.212 9.289 1.00 12.05 O ATOM 751 CB VAL A 655 -16.127 -21.095 7.749 1.00 11.43 C ATOM 752 CG1 VAL A 655 -14.768 -20.598 7.181 1.00 12.68 C ATOM 753 CG2 VAL A 655 -16.085 -22.586 7.935 1.00 10.71 C ATOM 754 H VAL A 655 -18.356 -21.441 9.019 1.00 0.00 H ATOM 755 N VAL A 656 -17.501 -18.273 8.432 1.00 11.76 N ATOM 756 CA VAL A 656 -17.566 -16.819 8.350 1.00 10.55 C ATOM 757 C VAL A 656 -17.356 -16.199 9.726 1.00 11.44 C ATOM 758 O VAL A 656 -16.627 -15.211 9.869 1.00 12.32 O ATOM 759 CB VAL A 656 -18.884 -16.372 7.698 1.00 10.82 C ATOM 760 CG1 VAL A 656 -19.055 -14.874 7.799 1.00 14.24 C ATOM 761 CG2 VAL A 656 -18.955 -16.827 6.201 1.00 11.48 C ATOM 762 H VAL A 656 -18.294 -18.850 8.086 1.00 0.00 H ATOM 763 N GLY A 657 -17.980 -16.774 10.759 1.00 10.91 N ATOM 764 CA GLY A 657 -17.802 -16.253 12.109 1.00 11.21 C ATOM 765 C GLY A 657 -16.363 -16.346 12.583 1.00 10.64 C ATOM 766 O GLY A 657 -15.839 -15.421 13.220 1.00 11.70 O ATOM 767 H GLY A 657 -18.595 -17.597 10.599 1.00 0.00 H ATOM 768 N LEU A 658 -15.697 -17.464 12.290 1.00 10.42 N ATOM 769 CA LEU A 658 -14.289 -17.592 12.673 1.00 11.14 C ATOM 770 C LEU A 658 -13.427 -16.533 11.988 1.00 11.40 C ATOM 771 O LEU A 658 -12.494 -15.998 12.593 1.00 13.38 O ATOM 772 CB LEU A 658 -13.770 -18.973 12.296 1.00 10.77 C ATOM 773 CG LEU A 658 -14.255 -20.176 13.088 1.00 11.36 C ATOM 774 CD1 LEU A 658 -13.781 -21.458 12.430 1.00 11.46 C ATOM 775 CD2 LEU A 658 -13.778 -20.077 14.539 1.00 11.76 C ATOM 776 H LEU A 658 -16.175 -18.241 11.792 1.00 0.00 H ATOM 777 N ILE A 659 -13.714 -16.224 10.717 1.00 11.64 N ATOM 778 CA ILE A 659 -12.979 -15.169 10.022 1.00 10.57 C ATOM 779 C ILE A 659 -13.260 -13.813 10.652 1.00 11.10 C ATOM 780 O ILE A 659 -12.344 -13.020 10.904 1.00 13.35 O ATOM 781 CB ILE A 659 -13.337 -15.168 8.522 1.00 10.88 C ATOM 782 CG1 ILE A 659 -12.803 -16.427 7.813 1.00 11.56 C ATOM 783 CG2 ILE A 659 -12.748 -13.919 7.865 1.00 12.23 C ATOM 784 CD1 ILE A 659 -13.426 -16.659 6.425 1.00 12.34 C ATOM 785 H ILE A 659 -14.468 -16.740 10.219 1.00 0.00 H ATOM 786 N ARG A 660 -14.527 -13.517 10.923 1.00 12.92 N ATOM 787 CA ARG A 660 -14.876 -12.204 11.445 1.00 13.42 C ATOM 788 C ARG A 660 -14.342 -11.984 12.855 1.00 13.22 C ATOM 789 O ARG A 660 -14.058 -10.845 13.238 1.00 13.37 O ATOM 790 CB ARG A 660 -16.388 -12.037 11.412 1.00 14.28 C ATOM 791 CG ARG A 660 -16.929 -11.796 10.017 1.00 15.05 C ATOM 792 CD ARG A 660 -18.424 -11.652 10.022 1.00 19.00 C ATOM 793 NE ARG A 660 -18.958 -11.454 8.678 1.00 20.02 N ATOM 794 CZ ARG A 660 -20.235 -11.629 8.357 1.00 21.22 C ATOM 795 NH1 ARG A 660 -21.106 -12.013 9.275 1.00 21.83 N ATOM 796 NH2 ARG A 660 -20.638 -11.442 7.114 1.00 21.98 N ATOM 797 HE ARG A 660 -18.300 -11.159 7.928 1.00 0.00 H ATOM 798 HH12 ARG A 660 -22.105 -12.149 9.019 1.00 0.00 H ATOM 799 HH11 ARG A 660 -20.792 -12.179 10.252 1.00 0.00 H ATOM 800 HH22 ARG A 660 -21.638 -11.580 6.865 1.00 0.00 H ATOM 801 HH21 ARG A 660 -19.955 -11.157 6.383 1.00 0.00 H ATOM 802 H ARG A 660 -15.271 -14.225 10.762 1.00 0.00 H ATOM 803 N GLN A 661 -14.207 -13.042 13.649 1.00 13.20 N ATOM 804 CA GLN A 661 -13.698 -12.853 15.005 1.00 13.92 C ATOM 805 C GLN A 661 -12.230 -12.433 15.029 1.00 14.11 C ATOM 806 O GLN A 661 -11.800 -11.809 16.008 1.00 15.10 O ATOM 807 CB GLN A 661 -13.969 -14.085 15.851 1.00 16.63 C ATOM 808 CG GLN A 661 -12.965 -15.162 15.700 1.00 16.61 C ATOM 809 CD GLN A 661 -13.353 -16.392 16.479 1.00 16.86 C ATOM 810 OE1 GLN A 661 -14.422 -16.987 16.252 1.00 18.26 O ATOM 811 NE2 GLN A 661 -12.499 -16.774 17.427 1.00 17.04 N ATOM 812 HE22 GLN A 661 -11.618 -16.243 17.578 1.00 0.00 H ATOM 813 HE21 GLN A 661 -12.713 -17.604 18.017 1.00 0.00 H ATOM 814 H GLN A 661 -14.460 -13.992 13.309 1.00 0.00 H ATOM 815 N GLY A 662 -11.461 -12.727 13.969 1.00 14.06 N ATOM 816 CA GLY A 662 -10.067 -12.314 13.885 1.00 13.37 C ATOM 817 C GLY A 662 -9.872 -10.849 13.577 1.00 13.37 C ATOM 818 O GLY A 662 -8.741 -10.349 13.614 1.00 14.12 O ATOM 819 H GLY A 662 -11.874 -13.267 13.182 1.00 0.00 H ATOM 820 N GLY A 663 -10.954 -10.127 13.291 1.00 13.51 N ATOM 821 CA GLY A 663 -10.825 -8.696 13.089 1.00 14.09 C ATOM 822 C GLY A 663 -10.049 -8.319 11.846 1.00 13.62 C ATOM 823 O GLY A 663 -10.446 -8.678 10.735 1.00 14.67 O ATOM 824 H GLY A 663 -11.884 -10.585 13.213 1.00 0.00 H ATOM 825 N ASN A 664 -8.949 -7.581 12.011 1.00 12.68 N ATOM 826 CA ASN A 664 -8.191 -7.091 10.865 1.00 13.97 C ATOM 827 C ASN A 664 -7.068 -8.016 10.423 1.00 12.30 C ATOM 828 O ASN A 664 -6.342 -7.664 9.490 1.00 14.90 O ATOM 829 CB ASN A 664 -7.619 -5.701 11.144 1.00 16.79 C ATOM 830 CG ASN A 664 -8.697 -4.652 11.234 1.00 18.49 C ATOM 831 OD1 ASN A 664 -9.749 -4.766 10.607 1.00 16.34 O ATOM 832 ND2 ASN A 664 -8.458 -3.633 12.044 1.00 19.56 N ATOM 833 HD22 ASN A 664 -7.554 -3.576 12.555 1.00 0.00 H ATOM 834 HD21 ASN A 664 -9.174 -2.889 12.169 1.00 0.00 H ATOM 835 H ASN A 664 -8.627 -7.351 12.973 1.00 0.00 H ATOM 836 N ARG A 665 -6.904 -9.173 11.043 1.00 13.02 N ATOM 837 CA ARG A 665 -5.879 -10.119 10.622 1.00 12.09 C ATOM 838 C ARG A 665 -6.485 -11.490 10.419 1.00 11.74 C ATOM 839 O ARG A 665 -7.331 -11.932 11.196 1.00 14.00 O ATOM 840 CB ARG A 665 -4.749 -10.226 11.644 1.00 13.93 C ATOM 841 CG ARG A 665 -3.602 -11.125 11.250 1.00 16.60 C ATOM 842 CD ARG A 665 -2.563 -11.095 12.349 1.00 18.36 C ATOM 843 NE ARG A 665 -3.082 -11.724 13.562 1.00 21.28 N ATOM 844 CZ ARG A 665 -2.702 -11.417 14.794 1.00 23.14 C ATOM 845 NH1 ARG A 665 -3.233 -12.059 15.831 1.00 24.28 N ATOM 846 NH2 ARG A 665 -1.798 -10.475 14.998 1.00 24.14 N ATOM 847 HE ARG A 665 -3.802 -12.466 13.450 1.00 0.00 H ATOM 848 HH12 ARG A 665 -2.936 -11.819 16.798 1.00 0.00 H ATOM 849 HH11 ARG A 665 -3.945 -12.801 15.674 1.00 0.00 H ATOM 850 HH22 ARG A 665 -1.503 -10.238 15.967 1.00 0.00 H ATOM 851 HH21 ARG A 665 -1.381 -9.971 14.190 1.00 0.00 H ATOM 852 H ARG A 665 -7.519 -9.412 11.847 1.00 0.00 H ATOM 853 N LEU A 666 -6.053 -12.150 9.352 1.00 12.23 N ATOM 854 CA LEU A 666 -6.525 -13.479 9.013 1.00 11.60 C ATOM 855 C LEU A 666 -5.327 -14.292 8.559 1.00 12.32 C ATOM 856 O LEU A 666 -4.659 -13.936 7.583 1.00 13.54 O ATOM 857 CB LEU A 666 -7.575 -13.391 7.901 1.00 13.71 C ATOM 858 CG LEU A 666 -8.014 -14.693 7.274 1.00 16.06 C ATOM 859 CD1 LEU A 666 -8.600 -15.650 8.285 1.00 14.24 C ATOM 860 CD2 LEU A 666 -9.056 -14.426 6.194 1.00 17.96 C ATOM 861 H LEU A 666 -5.349 -11.697 8.735 1.00 0.00 H ATOM 862 N VAL A 667 -5.024 -15.348 9.296 1.00 13.67 N ATOM 863 CA VAL A 667 -4.044 -16.332 8.868 1.00 15.10 C ATOM 864 C VAL A 667 -4.829 -17.484 8.264 1.00 15.04 C ATOM 865 O VAL A 667 -5.588 -18.148 8.963 1.00 16.97 O ATOM 866 CB VAL A 667 -3.173 -16.805 10.032 1.00 17.08 C ATOM 867 CG1 VAL A 667 -2.074 -17.644 9.469 1.00 18.47 C ATOM 868 CG2 VAL A 667 -2.598 -15.623 10.798 1.00 17.98 C ATOM 869 H VAL A 667 -5.502 -15.478 10.210 1.00 0.00 H ATOM 870 N MET A 668 -4.655 -17.738 6.967 1.00 14.11 N ATOM 871 CA MET A 668 -5.478 -18.719 6.259 1.00 13.15 C ATOM 872 C MET A 668 -4.619 -19.706 5.482 1.00 12.28 C ATOM 873 O MET A 668 -3.798 -19.295 4.654 1.00 11.80 O ATOM 874 CB MET A 668 -6.398 -18.025 5.251 1.00 16.15 C ATOM 875 CG MET A 668 -7.824 -17.849 5.698 1.00 18.77 C ATOM 876 SD MET A 668 -9.000 -18.032 4.348 1.00 19.50 S ATOM 877 CE MET A 668 -8.377 -16.821 3.181 1.00 19.80 C ATOM 878 H MET A 668 -3.915 -17.226 6.445 1.00 0.00 H ATOM 879 N LYS A 669 -4.856 -21.003 5.701 1.00 12.25 N ATOM 880 CA LYS A 669 -4.243 -22.056 4.904 1.00 11.11 C ATOM 881 C LYS A 669 -5.274 -22.540 3.897 1.00 10.58 C ATOM 882 O LYS A 669 -6.416 -22.830 4.274 1.00 10.98 O ATOM 883 CB LYS A 669 -3.779 -23.218 5.770 1.00 13.15 C ATOM 884 CG LYS A 669 -2.733 -22.808 6.809 1.00 16.50 C ATOM 885 CD LYS A 669 -2.012 -24.002 7.425 1.00 18.96 C ATOM 886 CE LYS A 669 -1.004 -23.539 8.488 1.00 21.71 C ATOM 887 NZ LYS A 669 -0.242 -24.652 9.112 1.00 24.64 N ATOM 888 HZ1 LYS A 669 -0.904 -25.306 9.576 1.00 0.00 H ATOM 889 HZ2 LYS A 669 0.292 -25.159 8.378 1.00 0.00 H ATOM 890 HZ3 LYS A 669 0.417 -24.266 9.818 1.00 0.00 H ATOM 891 H LYS A 669 -5.503 -21.270 6.470 1.00 0.00 H ATOM 892 N VAL A 670 -4.866 -22.628 2.633 1.00 9.55 N ATOM 893 CA VAL A 670 -5.739 -23.047 1.548 1.00 10.78 C ATOM 894 C VAL A 670 -5.016 -24.109 0.739 1.00 11.02 C ATOM 895 O VAL A 670 -3.807 -24.313 0.870 1.00 12.97 O ATOM 896 CB VAL A 670 -6.119 -21.866 0.623 1.00 10.78 C ATOM 897 CG1 VAL A 670 -6.729 -20.730 1.414 1.00 12.84 C ATOM 898 CG2 VAL A 670 -4.878 -21.370 -0.173 1.00 13.18 C ATOM 899 H VAL A 670 -3.879 -22.386 2.412 1.00 0.00 H ATOM 900 N VAL A 671 -5.776 -24.800 -0.098 1.00 10.04 N ATOM 901 CA VAL A 671 -5.197 -25.640 -1.133 1.00 12.06 C ATOM 902 C VAL A 671 -5.675 -25.125 -2.482 1.00 11.52 C ATOM 903 O VAL A 671 -6.838 -24.747 -2.640 1.00 12.92 O ATOM 904 CB VAL A 671 -5.432 -27.153 -0.941 1.00 15.87 C ATOM 905 CG1 VAL A 671 -4.922 -27.611 0.375 1.00 16.99 C ATOM 906 CG2 VAL A 671 -6.836 -27.506 -1.053 1.00 17.35 C ATOM 907 H VAL A 671 -6.811 -24.740 -0.012 1.00 0.00 H ATOM 908 N SER A 672 -4.775 -25.119 -3.455 1.00 13.56 N ATOM 909 CA SER A 672 -4.975 -24.376 -4.687 1.00 15.83 C ATOM 910 C SER A 672 -4.476 -25.213 -5.847 1.00 15.68 C ATOM 911 O SER A 672 -3.616 -26.079 -5.677 1.00 17.45 O ATOM 912 CB SER A 672 -4.157 -23.062 -4.600 1.00 18.12 C ATOM 913 OG SER A 672 -4.223 -22.276 -5.765 1.00 21.31 O ATOM 914 HG SER A 672 -5.165 -22.026 -5.940 1.00 0.00 H ATOM 915 H SER A 672 -3.898 -25.664 -3.332 1.00 0.00 H ATOM 916 N VAL A 673 -5.022 -24.934 -7.039 1.00 17.59 N ATOM 917 CA VAL A 673 -4.541 -25.580 -8.267 1.00 18.68 C ATOM 918 C VAL A 673 -3.115 -25.183 -8.626 1.00 20.96 C ATOM 919 O VAL A 673 -2.460 -25.899 -9.397 1.00 21.56 O ATOM 920 CB VAL A 673 -5.490 -25.314 -9.449 1.00 20.25 C ATOM 921 CG1 VAL A 673 -6.836 -25.940 -9.178 1.00 21.58 C ATOM 922 CG2 VAL A 673 -5.623 -23.829 -9.721 1.00 21.94 C ATOM 923 H VAL A 673 -5.801 -24.247 -7.095 1.00 0.00 H ATOM 924 N THR A 674 -2.621 -24.060 -8.110 1.00 22.37 N ATOM 925 CA THR A 674 -1.252 -23.634 -8.368 1.00 24.86 C ATOM 926 C THR A 674 -0.552 -23.342 -7.051 1.00 25.75 C ATOM 927 O THR A 674 0.633 -22.965 -7.023 1.00 25.15 O ATOM 928 CB THR A 674 -1.167 -22.353 -9.234 1.00 28.87 C ATOM 929 OG1 THR A 674 -1.787 -21.259 -8.535 1.00 31.53 O ATOM 930 CG2 THR A 674 -1.813 -22.576 -10.615 1.00 29.75 C ATOM 931 OXT THR A 674 -1.175 -23.479 -5.999 1.00 26.56 O ATOM 932 HG1 THR A 674 -2.737 -21.477 -8.360 1.00 0.00 H ATOM 933 H THR A 674 -3.229 -23.471 -7.506 1.00 0.00 H TER 934 THR A 674 HETATM 935 O HOH 1 -5.180 -2.455 3.262 1.00 43.12 O HETATM 936 O HOH 2 0.726 -24.221 4.572 1.00 42.04 O HETATM 937 O HOH 3 -30.270 -23.488 11.590 1.00 31.79 O HETATM 938 O HOH 4 -1.797 -26.560 10.960 1.00 46.68 O HETATM 939 O HOH 5 -7.164 -21.108 -7.201 1.00 24.17 O HETATM 940 O HOH 6 -12.483 -4.516 -7.364 1.00 48.09 O HETATM 941 O HOH 7 -16.865 -17.662 15.936 1.00 16.18 O HETATM 942 O HOH 8 -11.059 -30.152 -8.162 1.00 22.03 O HETATM 943 O HOH 9 0.937 -10.409 5.309 1.00 48.65 O HETATM 944 O HOH 10 1.882 -10.315 -0.764 1.00 35.77 O HETATM 945 O HOH 11 -11.163 -13.062 -8.803 1.00 23.01 O HETATM 946 O HOH 12 -2.820 -30.549 -1.181 1.00 48.00 O HETATM 947 O HOH 13 -0.216 -8.980 10.050 1.00 33.94 O HETATM 948 O HOH 14 -12.383 -27.686 13.532 1.00 17.82 O HETATM 949 O HOH 15 -11.232 -5.465 -1.466 1.00 30.44 O HETATM 950 O HOH 16 -12.508 -10.212 10.145 1.00 16.24 O HETATM 951 O HOH 17 -7.736 -3.347 -0.011 1.00 33.52 O HETATM 952 O HOH 18 -2.274 -5.211 3.834 1.00 46.12 O HETATM 953 O HOH 19 -20.281 -25.425 -5.084 1.00 22.60 O HETATM 954 O HOH 20 -8.482 -9.363 -2.743 1.00 12.05 O HETATM 955 O HOH 21 -3.720 -25.259 14.928 1.00 40.47 O HETATM 956 O HOH 22 -10.511 -16.835 14.182 1.00 15.29 O HETATM 957 O HOH 23 -18.670 -36.176 0.928 1.00 29.53 O HETATM 958 O HOH 24 -13.577 -6.053 10.082 1.00 30.44 O HETATM 959 O HOH 25 -5.545 -28.671 10.756 1.00 35.96 O HETATM 960 O HOH 26 -6.657 -11.853 14.431 1.00 24.78 O HETATM 961 O HOH 27 -8.800 -32.144 3.011 1.00 20.49 O HETATM 962 O HOH 28 -21.848 -33.151 3.459 1.00 41.15 O HETATM 963 O HOH 29 -18.254 -12.528 -6.365 1.00 35.90 O HETATM 964 O HOH 30 -1.730 -23.957 12.084 1.00 44.56 O HETATM 965 O HOH 31 -14.756 -8.287 12.552 1.00 33.98 O HETATM 966 O HOH 32 -19.628 -27.062 -0.026 1.00 13.27 O HETATM 967 O HOH 33 -22.665 -13.917 8.053 1.00 49.97 O HETATM 968 O HOH 34 -15.575 -35.473 -4.282 1.00 51.05 O HETATM 969 O HOH 35 -15.377 -34.361 -1.313 1.00 22.56 O HETATM 970 O HOH 36 -11.979 -9.107 16.578 1.00 29.33 O HETATM 971 O HOH 37 -23.707 -22.767 8.260 1.00 13.55 O HETATM 972 O HOH 38 -7.451 0.248 10.424 1.00 33.95 O HETATM 973 O HOH 39 -12.784 -29.728 9.942 1.00 16.26 O HETATM 974 O HOH 40 -4.634 -6.123 -9.484 1.00 33.63 O HETATM 975 O HOH 41 -9.537 -13.595 10.877 1.00 16.85 O HETATM 976 O HOH 42 -2.026 -8.880 1.259 1.00 21.20 O HETATM 977 O HOH 43 0.912 -14.654 1.003 1.00 30.96 O HETATM 978 O HOH 44 -26.407 -22.015 8.711 1.00 18.94 O HETATM 979 O HOH 45 -11.803 -4.796 12.501 1.00 51.56 O HETATM 980 O HOH 46 -13.668 -25.245 4.315 1.00 10.62 O HETATM 981 O HOH 47 -5.181 -4.008 -1.008 1.00 31.37 O HETATM 982 O HOH 48 -32.290 -23.760 5.197 1.00 16.68 O HETATM 983 O HOH 49 -9.244 -5.919 0.434 1.00 17.54 O HETATM 984 O HOH 50 -6.380 -31.951 -3.086 1.00 31.22 O HETATM 985 O HOH 51 -25.199 -31.312 9.763 1.00 48.00 O HETATM 986 O HOH 52 -16.606 -30.731 11.908 1.00 30.81 O HETATM 987 O HOH 53 -23.088 -16.194 -5.500 1.00 34.46 O HETATM 988 O HOH 54 -25.242 -28.675 11.849 1.00 32.01 O HETATM 989 O HOH 55 -18.405 -18.950 14.080 1.00 14.89 O HETATM 990 O HOH 56 -7.490 -23.523 -7.056 1.00 23.77 O HETATM 991 O HOH 57 -23.133 -11.896 5.812 1.00 55.83 O HETATM 992 O HOH 58 -9.643 -3.080 -11.235 1.00 44.31 O HETATM 993 O HOH 59 -5.121 -13.712 13.248 1.00 24.28 O HETATM 994 O HOH 60 -14.638 -6.605 -3.177 1.00 43.52 O HETATM 995 O HOH 61 -14.293 -10.794 -4.605 1.00 22.38 O HETATM 996 O HOH 62 -7.848 -6.954 14.611 1.00 28.13 O HETATM 997 O HOH 63 -22.453 -30.654 2.496 1.00 32.63 O HETATM 998 O HOH 64 -8.237 -27.418 14.284 1.00 19.47 O HETATM 999 O HOH 65 -3.980 -6.983 13.556 1.00 42.54 O HETATM 1000 O HOH 66 -25.612 -19.726 -6.813 1.00 37.87 O HETATM 1001 O HOH 67 -21.734 -15.916 10.178 1.00 21.21 O HETATM 1002 O HOH 68 -4.358 -20.925 10.167 1.00 20.42 O HETATM 1003 O HOH 69 -1.926 -8.570 3.984 1.00 22.68 O HETATM 1004 O HOH 70 -22.414 -24.005 -6.059 1.00 18.45 O HETATM 1005 O HOH 71 -4.548 -20.388 -8.007 1.00 24.57 O HETATM 1006 O HOH 72 1.919 -16.347 4.670 1.00 25.33 O HETATM 1007 O HOH 73 0.676 -13.554 3.023 1.00 38.59 O HETATM 1008 O HOH 74 -1.801 -9.091 -10.240 1.00 38.28 O HETATM 1009 O HOH 75 1.141 -29.062 -0.900 1.00 38.74 O HETATM 1010 O HOH 76 -18.252 -23.548 -8.404 1.00 18.94 O HETATM 1011 O HOH 77 -12.096 -8.309 -8.883 1.00 17.58 O HETATM 1012 O HOH 78 -3.937 1.648 4.707 1.00 44.48 O HETATM 1013 O HOH 79 -6.992 -31.138 7.080 1.00 45.53 O HETATM 1014 O HOH 80 -12.822 -3.613 0.829 1.00 44.67 O HETATM 1015 O HOH 81 -29.182 -32.718 6.441 1.00 28.29 O HETATM 1016 O HOH 82 -5.706 -3.605 13.480 1.00 50.61 O HETATM 1017 O HOH 83 -10.857 -36.801 -6.190 1.00 33.92 O HETATM 1018 O HOH 84 -30.706 -20.299 2.307 1.00 44.29 O HETATM 1019 O HOH 85 -17.366 -35.081 9.843 1.00 45.96 O HETATM 1020 O HOH 86 -5.773 -27.549 13.136 1.00 45.53 O HETATM 1021 O HOH 87 -4.443 5.941 5.593 1.00 42.21 O HETATM 1022 O HOH 88 -14.701 -9.301 -2.609 1.00 19.27 O HETATM 1023 O HOH 89 -9.334 -15.607 16.348 1.00 29.18 O HETATM 1024 O HOH 90 -9.248 -8.608 16.742 1.00 51.94 O HETATM 1025 O HOH 91 -12.763 -5.716 -9.251 1.00 35.80 O HETATM 1026 O HOH 92 -11.900 -32.410 9.558 1.00 28.26 O HETATM 1027 O HOH 93 -5.471 -9.044 15.157 1.00 41.12 O HETATM 1028 O HOH 94 -14.131 -9.549 -7.340 1.00 22.65 O HETATM 1029 O HOH 95 -11.246 1.809 4.230 1.00 54.30 O HETATM 1030 O HOH 96 0.315 -10.228 1.560 1.00 37.33 O HETATM 1031 O HOH 97 -10.931 -4.956 14.965 1.00 40.61 O HETATM 1032 O HOH 98 -21.158 -34.537 1.510 1.00 45.92 O HETATM 1033 O HOH 99 -18.065 -13.526 -8.938 1.00 27.84 O HETATM 1034 O HOH 100 -13.696 -7.112 15.001 1.00 54.28 O HETATM 1035 O HOH 101 -18.158 -34.285 -1.493 1.00 32.93 O HETATM 1036 O HOH 102 -11.090 -34.330 7.145 1.00 40.13 O HETATM 1037 O HOH 103 -18.451 -9.786 -6.353 1.00 51.60 O HETATM 1038 O HOH 104 -15.478 -10.859 -9.358 1.00 28.90 O HETATM 1039 O HOH 105 -14.412 -9.160 8.645 1.00 42.40 O HETATM 1040 O HOH 106 -20.090 -26.679 -2.699 1.00 24.78 O HETATM 1041 O HOH 107 -5.700 -31.075 -0.737 1.00 46.11 O HETATM 1042 O HOH 108 -7.493 -13.909 16.437 1.00 42.13 O HETATM 1043 O HOH 109 -29.862 -36.018 6.800 1.00 43.68 O HETATM 1044 O HOH 110 -1.329 -6.303 0.995 1.00 47.54 O HETATM 1045 O HOH 111 -3.490 -3.653 1.080 1.00 43.31 O HETATM 1046 O HOH 112 0.195 -5.180 -5.497 1.00 39.81 O HETATM 1047 O HOH 113 -14.582 -13.088 -10.533 1.00 19.79 O HETATM 1048 O HOH 114 -24.636 -25.749 -6.684 1.00 24.77 O HETATM 1049 O HOH 115 -8.992 -33.439 5.618 1.00 32.09 O HETATM 1050 O HOH 116 3.483 -12.877 -0.067 1.00 42.65 O HETATM 1051 O HOH 117 -13.404 -33.768 11.382 1.00 28.08 O HETATM 1052 O HOH 118 -20.734 -29.709 0.050 1.00 23.76 O HETATM 1053 O HOH 119 -12.137 -9.380 -11.367 1.00 24.87 O HETATM 1054 O HOH 120 -18.716 -11.530 -10.390 1.00 46.38 O HETATM 1055 O HOH 121 1.704 -7.358 2.356 1.00 43.54 O HETATM 1056 O HOH 122 -20.281 -32.337 -0.722 1.00 46.06 O HETATM 1057 O HOH 123 -23.386 -27.793 -7.341 1.00 32.24 O HETATM 1058 O HOH 124 -14.758 -8.394 -0.110 1.00 49.92 O HETATM 1059 O HOH 125 -14.894 -8.600 6.283 1.00 33.07 O HETATM 1060 O HOH 126 -24.378 -13.346 -0.284 1.00 60.99 O HETATM 1061 O HOH 127 -28.962 -19.449 3.222 1.00 42.62 O HETATM 1062 O HOH 128 -24.244 -15.168 3.426 1.00 48.41 O HETATM 1063 O HOH 129 -25.283 -16.703 -2.186 1.00 44.21 O HETATM 1064 O HOH 130 -20.824 -9.746 3.965 1.00 36.51 O HETATM 1065 O HOH 131 -22.774 -15.450 6.202 1.00 40.21 O HETATM 1066 O HOH 132 -22.206 -11.230 1.553 1.00 30.25 O HETATM 1067 O HOH 133 -25.610 -16.643 0.963 1.00 22.30 O HETATM 1068 O HOH 134 -25.756 -18.982 -2.911 1.00 31.03 O HETATM 1069 O HOH 135 -21.841 -12.795 -2.414 1.00 45.62 O HETATM 1070 O HOH 136 -16.895 -6.664 2.988 1.00 49.13 O HETATM 1071 O HOH 137 -21.018 -10.440 -3.147 1.00 55.70 O HETATM 1072 O HOH 138 -17.819 -8.530 -4.619 1.00 57.65 O HETATM 1073 O HOH 139 -24.183 -12.416 3.676 1.00 43.49 O HETATM 1074 C ACE A 140 -26.352 -24.691 0.645 1.00 0.18 C HETATM 1075 O ACE A 140 -25.681 -24.517 1.664 1.00 -0.40 O HETATM 1076 CH3 ACE A 140 -27.702 -25.374 0.683 1.00 0.03 C HETATM 1077 H1 ACE A 140 -28.118 -25.421 -0.334 1.00 0.05 H HETATM 1078 H2 ACE A 140 -28.383 -24.804 1.332 1.00 0.05 H HETATM 1079 H3 ACE A 140 -27.586 -26.394 1.079 1.00 0.05 H HETATM 1080 N ACE A 140 -25.927 -24.268 -0.543 1.00 -0.27 N HETATM 1081 CA ACE A 140 -24.645 -23.599 -0.738 1.00 0.13 C HETATM 1082 C ACE A 140 -24.853 -22.115 -0.587 1.00 0.20 C HETATM 1083 O ACE A 140 -25.669 -21.537 -1.304 1.00 -0.39 O HETATM 1084 N ACE A 140 -24.099 -21.488 0.323 1.00 -0.26 N HETATM 1085 CA ACE A 140 -24.206 -20.066 0.621 1.00 0.13 C HETATM 1086 C ACE A 140 -22.945 -19.357 0.161 1.00 0.20 C HETATM 1087 O ACE A 140 -21.908 -19.982 -0.050 1.00 -0.39 O HETATM 1088 N ACE A 140 -23.032 -18.037 0.018 1.00 -0.26 N HETATM 1089 CA ACE A 140 -21.856 -17.252 -0.329 1.00 0.15 C HETATM 1090 C ACE A 140 -21.876 -15.941 0.442 1.00 0.21 C HETATM 1091 O ACE A 140 -22.940 -15.361 0.666 1.00 -0.39 O HETATM 1092 N ACE A 140 -20.695 -15.511 0.888 1.00 -0.26 N HETATM 1093 CA ACE A 140 -20.587 -14.345 1.744 1.00 0.16 C HETATM 1094 C ACE A 140 -19.357 -13.530 1.361 1.00 0.21 C HETATM 1095 O ACE A 140 -18.274 -14.091 1.219 1.00 -0.39 O HETATM 1096 N ACE A 140 -19.510 -12.213 1.210 1.00 -0.26 N HETATM 1097 CA ACE A 140 -18.370 -11.341 0.955 1.00 0.13 C HETATM 1098 C ACE A 140 -17.622 -11.068 2.252 1.00 0.20 C HETATM 1099 O ACE A 140 -18.227 -10.709 3.266 1.00 -0.39 O HETATM 1100 N ACE A 140 -16.314 -11.243 2.200 1.00 -0.27 N HETATM 1101 CA ACE A 140 -15.409 -11.145 3.338 1.00 0.10 C HETATM 1102 C ACE A 140 -14.373 -10.047 3.091 1.00 0.06 C HETATM 1103 O ACE A 140 -13.863 -9.420 4.040 1.00 -0.57 O HETATM 1104 OXT ACE A 140 -13.982 -9.814 1.919 1.00 -0.57 O HETATM 1105 CB ACE A 140 -14.657 -12.495 3.516 1.00 -0.01 C HETATM 1106 CG1 ACE A 140 -15.629 -13.677 3.642 1.00 -0.05 C HETATM 1107 CD1 ACE A 140 -16.368 -13.756 4.915 1.00 -0.06 C HETATM 1108 H47 ACE A 140 -17.032 -14.633 4.900 1.00 0.02 H HETATM 1109 H48 ACE A 140 -16.969 -12.844 5.047 1.00 0.02 H HETATM 1110 H49 ACE A 140 -15.655 -13.850 5.748 1.00 0.02 H HETATM 1111 H42 ACE A 140 -15.050 -14.606 3.527 1.00 0.03 H HETATM 1112 H43 ACE A 140 -16.364 -13.600 2.827 1.00 0.03 H HETATM 1113 CG2 ACE A 140 -13.679 -12.413 4.674 1.00 -0.06 C HETATM 1114 H44 ACE A 140 -13.011 -11.551 4.529 1.00 0.02 H HETATM 1115 H45 ACE A 140 -13.082 -13.336 4.716 1.00 0.02 H HETATM 1116 H46 ACE A 140 -14.235 -12.292 5.616 1.00 0.02 H HETATM 1117 H41 ACE A 140 -14.066 -12.663 2.604 1.00 0.03 H HETATM 1118 H40 ACE A 140 -15.985 -10.915 4.247 1.00 0.07 H HETATM 1119 H39 ACE A 140 -15.913 -11.460 1.310 1.00 0.19 H HETATM 1120 CB ACE A 140 -18.834 -10.021 0.345 1.00 -0.00 C HETATM 1121 CG ACE A 140 -17.675 -9.131 -0.141 1.00 0.00 C HETATM 1122 CD ACE A 140 -18.138 -7.802 -0.709 1.00 0.04 C HETATM 1123 OE1 ACE A 140 -19.294 -7.729 -1.209 1.00 -0.57 O HETATM 1124 OE2 ACE A 140 -17.353 -6.822 -0.649 1.00 -0.57 O HETATM 1125 H37 ACE A 140 -17.123 -9.672 -0.924 1.00 0.04 H HETATM 1126 H38 ACE A 140 -17.006 -8.933 0.709 1.00 0.04 H HETATM 1127 H35 ACE A 140 -19.404 -9.467 1.105 1.00 0.03 H HETATM 1128 H36 ACE A 140 -19.486 -10.243 -0.512 1.00 0.03 H HETATM 1129 H34 ACE A 140 -17.691 -11.841 0.248 1.00 0.08 H HETATM 1130 H33 ACE A 140 -20.426 -11.816 1.273 1.00 0.19 H HETATM 1131 CB ACE A 140 -20.436 -14.788 3.205 1.00 0.09 C HETATM 1132 OG1 ACE A 140 -21.533 -15.624 3.604 1.00 -0.39 O HETATM 1133 H29 ACE A 140 -22.346 -15.142 3.513 1.00 0.21 H HETATM 1134 CG2 ACE A 140 -20.386 -13.573 4.113 1.00 -0.03 C HETATM 1135 H30 ACE A 140 -20.278 -13.900 5.158 1.00 0.03 H HETATM 1136 H31 ACE A 140 -21.316 -12.995 4.004 1.00 0.03 H HETATM 1137 H32 ACE A 140 -19.528 -12.943 3.835 1.00 0.03 H HETATM 1138 H28 ACE A 140 -19.499 -15.354 3.308 1.00 0.06 H HETATM 1139 H27 ACE A 140 -21.490 -13.726 1.635 1.00 0.08 H HETATM 1140 H26 ACE A 140 -19.865 -16.004 0.626 1.00 0.19 H HETATM 1141 CB ACE A 140 -21.721 -17.028 -1.839 1.00 0.08 C HETATM 1142 OG ACE A 140 -22.544 -16.000 -2.290 1.00 -0.39 O HETATM 1143 H25 ACE A 140 -23.450 -16.215 -2.102 1.00 0.21 H HETATM 1144 H23 ACE A 140 -21.994 -17.957 -2.361 1.00 0.06 H HETATM 1145 H24 ACE A 140 -20.676 -16.772 -2.068 1.00 0.06 H HETATM 1146 H22 ACE A 140 -20.970 -17.818 -0.005 1.00 0.08 H HETATM 1147 H21 ACE A 140 -23.912 -17.581 0.150 1.00 0.19 H HETATM 1148 CB ACE A 140 -24.367 -19.830 2.128 1.00 -0.00 C HETATM 1149 CG ACE A 140 -25.700 -20.322 2.679 1.00 0.00 C HETATM 1150 CD ACE A 140 -25.899 -20.053 4.170 1.00 0.04 C HETATM 1151 OE1 ACE A 140 -25.028 -19.478 4.839 1.00 -0.57 O HETATM 1152 OE2 ACE A 140 -26.950 -20.439 4.688 1.00 -0.57 O HETATM 1153 H19 ACE A 140 -25.762 -21.408 2.513 1.00 0.04 H HETATM 1154 H20 ACE A 140 -26.508 -19.820 2.127 1.00 0.04 H HETATM 1155 H17 ACE A 140 -24.287 -18.750 2.322 1.00 0.03 H HETATM 1156 H18 ACE A 140 -23.557 -20.358 2.652 1.00 0.03 H HETATM 1157 H16 ACE A 140 -25.077 -19.652 0.092 1.00 0.08 H HETATM 1158 H15 ACE A 140 -23.424 -22.026 0.827 1.00 0.19 H HETATM 1159 CB ACE A 140 -24.085 -23.916 -2.139 1.00 -0.00 C HETATM 1160 CG1 ACE A 140 -23.983 -25.431 -2.366 1.00 -0.05 C HETATM 1161 CD1 ACE A 140 -23.052 -26.164 -1.453 1.00 -0.06 C HETATM 1162 H12 ACE A 140 -23.059 -27.235 -1.705 1.00 0.02 H HETATM 1163 H13 ACE A 140 -23.379 -26.030 -0.411 1.00 0.02 H HETATM 1164 H14 ACE A 140 -22.033 -25.766 -1.571 1.00 0.02 H HETATM 1165 H7 ACE A 140 -23.642 -25.596 -3.399 1.00 0.03 H HETATM 1166 H8 ACE A 140 -24.988 -25.860 -2.239 1.00 0.03 H HETATM 1167 CG2 ACE A 140 -22.731 -23.252 -2.344 1.00 -0.06 C HETATM 1168 H9 ACE A 140 -22.825 -22.169 -2.177 1.00 0.02 H HETATM 1169 H10 ACE A 140 -22.384 -23.436 -3.372 1.00 0.02 H HETATM 1170 H11 ACE A 140 -22.005 -23.671 -1.631 1.00 0.02 H HETATM 1171 H6 ACE A 140 -24.783 -23.506 -2.884 1.00 0.03 H HETATM 1172 H5 ACE A 140 -23.931 -23.948 0.022 1.00 0.08 H HETATM 1173 H4 ACE A 140 -26.514 -24.416 -1.339 1.00 0.19 H CONECT 1 2 14 15 16 CONECT 14 1 CONECT 15 1 CONECT 16 1 CONECT 1074 1075 1076 1080 CONECT 1075 1074 CONECT 1076 1074 1077 1078 1079 CONECT 1077 1076 CONECT 1078 1076 CONECT 1079 1076 CONECT 1080 1074 1081 1173 CONECT 1081 1080 1082 1159 1172 CONECT 1082 1081 1083 1084 CONECT 1083 1082 CONECT 1084 1082 1085 1158 CONECT 1085 1084 1086 1148 1157 CONECT 1086 1085 1087 1088 CONECT 1087 1086 CONECT 1088 1086 1089 1147 CONECT 1089 1088 1090 1141 1146 CONECT 1090 1089 1091 1092 CONECT 1091 1090 CONECT 1092 1090 1093 1140 CONECT 1093 1092 1094 1131 1139 CONECT 1094 1093 1095 1096 CONECT 1095 1094 CONECT 1096 1094 1097 1130 CONECT 1097 1096 1098 1120 1129 CONECT 1098 1097 1099 1100 CONECT 1099 1098 CONECT 1100 1098 1101 1119 CONECT 1101 1100 1102 1105 1118 CONECT 1102 1101 1103 1104 CONECT 1103 1102 CONECT 1104 1102 CONECT 1105 1101 1106 1113 1117 CONECT 1106 1105 1107 1111 1112 CONECT 1107 1106 1108 1109 1110 CONECT 1108 1107 CONECT 1109 1107 CONECT 1110 1107 CONECT 1111 1106 CONECT 1112 1106 CONECT 1113 1105 1114 1115 1116 CONECT 1114 1113 CONECT 1115 1113 CONECT 1116 1113 CONECT 1117 1105 CONECT 1118 1101 CONECT 1119 1100 CONECT 1120 1097 1121 1127 1128 CONECT 1121 1120 1122 1125 1126 CONECT 1122 1121 1123 1124 CONECT 1123 1122 CONECT 1124 1122 CONECT 1125 1121 CONECT 1126 1121 CONECT 1127 1120 CONECT 1128 1120 CONECT 1129 1097 CONECT 1130 1096 CONECT 1131 1093 1132 1134 1138 CONECT 1132 1131 1133 CONECT 1133 1132 CONECT 1134 1131 1135 1136 1137 CONECT 1135 1134 CONECT 1136 1134 CONECT 1137 1134 CONECT 1138 1131 CONECT 1139 1093 CONECT 1140 1092 CONECT 1141 1089 1142 1144 1145 CONECT 1142 1141 1143 CONECT 1143 1142 CONECT 1144 1141 CONECT 1145 1141 CONECT 1146 1089 CONECT 1147 1088 CONECT 1148 1085 1149 1155 1156 CONECT 1149 1148 1150 1153 1154 CONECT 1150 1149 1151 1152 CONECT 1151 1150 CONECT 1152 1150 CONECT 1153 1149 CONECT 1154 1149 CONECT 1155 1148 CONECT 1156 1148 CONECT 1157 1085 CONECT 1158 1084 CONECT 1159 1081 1160 1167 1171 CONECT 1160 1159 1161 1165 1166 CONECT 1161 1160 1162 1163 1164 CONECT 1162 1161 CONECT 1163 1161 CONECT 1164 1161 CONECT 1165 1160 CONECT 1166 1160 CONECT 1167 1159 1168 1169 1170 CONECT 1168 1167 CONECT 1169 1167 CONECT 1170 1167 CONECT 1171 1159 CONECT 1172 1081 CONECT 1173 1080 MASTER 0 0 0 0 0 0 0 0 1172 1 104 8 END
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4o6w
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7-mer
4onf
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7-mer
4tky
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4u0g
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6iso
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PDBbind
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4y32
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7-mer
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7-mer
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PDBbind
7-mer
5hjd
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7-mer
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RCSB PDB
PDBbind
7-mer
5lyn
RCSB PDB
PDBbind
7-mer
5m63
RCSB PDB
PDBbind
7-mer
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PDBbind
7-mer
5ovc
RCSB PDB
PDBbind
7-mer
5ovp
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PDBbind
7-mer
5oyd
RCSB PDB
PDBbind
7-mer
5w38
RCSB PDB
PDBbind
7-mer
5wxg
RCSB PDB
PDBbind
7-mer
5wxh
RCSB PDB
PDBbind
7-mer
5xo2
RCSB PDB
PDBbind
7-mer
5xof
RCSB PDB
PDBbind
7-mer
5y20
RCSB PDB
PDBbind
7-mer
5yyf
RCSB PDB
PDBbind
7-mer
6b67
RCSB PDB
PDBbind
7-mer
6cen
RCSB PDB
PDBbind
7-mer
6do3
RCSB PDB
PDBbind
7-mer
6exj
RCSB PDB
PDBbind
7-mer
6mnf
RCSB PDB
PDBbind
7-mer
7kme
RCSB PDB
PDBbind
7-mer
8hvp
RCSB PDB
PDBbind
7-mer
6pka
RCSB PDB
PDBbind
7-mer
6p3w
RCSB PDB
PDBbind
7-mer
6oxl
RCSB PDB
PDBbind
7-mer
6om4
RCSB PDB
PDBbind
7-mer
6n3e
RCSB PDB
PDBbind
7-mer
6mqm
RCSB PDB
PDBbind
7-mer
6hld
RCSB PDB
PDBbind
7-mer
6gf3
RCSB PDB
PDBbind
7-mer
6frj
RCSB PDB
PDBbind
7-mer
6cn8
RCSB PDB
PDBbind
7-mer
5n7b
RCSB PDB
PDBbind
7-mer
6dn5
RCSB PDB
PDBbind
7-mer
Entry Information
PDB ID
5ovv
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
SH3 and multiple ankyrin repeat domains protein 3
Ligand Name
7-mer
EC.Number
E.C.-.-.-.-
Resolution
1.4(Å)
Affinity (Kd/Ki/IC50)
Kd=33uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) J. Neurochem. Vol. 145: pp. 449-463
Ligand Properties
Formula
C
3
1
H
5
2
N
6
O
1
4
Molecular Weight
732.776
Exact Mass
732.354
No. of atoms
103
No. of bonds
102
Polar Surface Area
326.96
LOGP Value
1.99 (
Computed with XLOGP3
)
-0.46 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 8
No. of Hydrogen Bond Acceptors: 14
No. of Rotatable Bonds: 29
No. of Nitrogen and Oxygen Atoms: 20
No. of Rings: 0
Canonical SMILES
OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)O)CCC(=O)O)[C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)C)CCC(=O)O
InChI String
InChI=1S/C31H52N6O14/c1-7-14(3)23(32-17(6)40)29(48)33-18(9-11-21(41)42)26(45)35-20(13-38)28(47)37-25(16(5)39)30(49)34-19(10-12-22(43)44)27(46)36-24(31(50)51)15(4)8-2/h14-16,18-20,23-25,38-39H,7-13H2,1-6H3,(H,32,40)(H,33,48)(H,34,49)(H,35,45)(H,36,46)(H,37,47)(H,41,42)(H,43,44)(H,50,51)/t14-,15-,16+,18-,19-,20-,23-,24-,25-/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):
Q8K1Q4
Q9JLU4
Entrez Gene ID
NCBI Entrez Gene ID:
280670
59312
ASD
Information of known allosteric effects of PDB entries
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