Browse entries in the PDBbind-CN Database
HEADER 5OWA_COMPLEX COMPND 5OWA_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 110 LEU THR PRO PHE LEU ILE LEU LEU ARG LYS THR LEU GLU SEQRES 2 A 110 GLN LEU GLN GLU LYS ASP THR GLY ASN ILE PHE SER GLU SEQRES 3 A 110 PRO VAL PRO LEU SER GLU VAL PRO ASP TYR LEU ASP HIS SEQRES 4 A 110 ILE LYS LYS PRO MET ASP PHE PHE THR MET LYS GLN ASN SEQRES 5 A 110 LEU GLU ALA TYR ARG TYR LEU ASN PHE ASP ASP PHE GLU SEQRES 6 A 110 GLU ASP PHE ASN LEU ILE VAL SER ASN CYS LEU LYS TYR SEQRES 7 A 110 ASN ALA LYS ASP THR ILE PHE TYR ARG ALA ALA VAL ARG SEQRES 8 A 110 LEU ARG GLU GLN GLY GLY ALA VAL LEU ARG GLN ALA ARG SEQRES 9 A 110 ARG GLN ALA GLU LYS MET HET B A 0H 49 ATOM 1 N LEU A 630 -10.904 8.386 19.202 1.00 62.22 N ATOM 2 CA LEU A 630 -12.266 8.808 19.471 1.00 56.45 C ATOM 3 C LEU A 630 -12.213 9.855 20.587 1.00 51.82 C ATOM 4 O LEU A 630 -11.502 9.704 21.579 1.00 44.73 O ATOM 5 CB LEU A 630 -13.172 7.604 19.832 1.00 51.25 C ATOM 6 CG LEU A 630 -13.774 6.761 18.673 1.00 46.76 C ATOM 7 CD1 LEU A 630 -14.302 5.372 19.114 1.00 38.06 C ATOM 8 CD2 LEU A 630 -14.880 7.513 17.897 1.00 42.02 C ATOM 9 HN3 LEU A 630 -10.492 7.977 20.065 1.00 0.00 H ATOM 10 HN2 LEU A 630 -10.340 9.207 18.903 1.00 0.00 H ATOM 11 HN1 LEU A 630 -10.907 7.672 18.446 1.00 0.00 H ATOM 12 N THR A 631 -12.913 10.959 20.376 1.00 46.46 N ATOM 13 CA THR A 631 -13.095 11.925 21.455 1.00 41.46 C ATOM 14 C THR A 631 -13.809 11.314 22.654 1.00 30.67 C ATOM 15 O THR A 631 -13.322 11.491 23.784 1.00 39.89 O ATOM 16 CB THR A 631 -13.831 13.162 20.916 1.00 46.10 C ATOM 17 OG1 THR A 631 -12.903 14.008 20.231 1.00 53.51 O ATOM 18 CG2 THR A 631 -14.521 13.935 22.042 1.00 40.26 C ATOM 19 HG1 THR A 631 -12.193 14.293 20.859 1.00 0.00 H ATOM 20 H THR A 631 -13.333 11.138 19.442 1.00 0.00 H ATOM 21 N PRO A 632 -14.926 10.587 22.505 1.00 34.06 N ATOM 22 CA PRO A 632 -15.570 10.008 23.700 1.00 37.78 C ATOM 23 C PRO A 632 -14.672 9.074 24.490 1.00 27.33 C ATOM 24 O PRO A 632 -14.845 8.964 25.706 1.00 33.06 O ATOM 25 CB PRO A 632 -16.785 9.259 23.124 1.00 42.87 C ATOM 26 CG PRO A 632 -16.463 9.049 21.688 1.00 37.97 C ATOM 27 CD PRO A 632 -15.681 10.253 21.281 1.00 44.40 C ATOM 28 N PHE A 633 -13.738 8.378 23.841 1.00 28.82 N ATOM 29 CA PHE A 633 -12.797 7.555 24.596 1.00 29.03 C ATOM 30 C PHE A 633 -11.900 8.423 25.472 1.00 24.24 C ATOM 31 O PHE A 633 -11.759 8.176 26.677 1.00 32.41 O ATOM 32 CB PHE A 633 -11.950 6.690 23.662 1.00 25.93 C ATOM 33 CG PHE A 633 -10.975 5.799 24.403 1.00 31.82 C ATOM 34 CD1 PHE A 633 -11.438 4.746 25.173 1.00 35.69 C ATOM 35 CD2 PHE A 633 -9.616 6.038 24.361 1.00 32.77 C ATOM 36 CE1 PHE A 633 -10.561 3.934 25.872 1.00 37.52 C ATOM 37 CE2 PHE A 633 -8.732 5.226 25.061 1.00 33.56 C ATOM 38 CZ PHE A 633 -9.208 4.176 25.816 1.00 32.80 C ATOM 39 H PHE A 633 -13.680 8.421 22.804 1.00 0.00 H ATOM 40 N LEU A 634 -11.282 9.444 24.881 1.00 32.70 N ATOM 41 CA LEU A 634 -10.514 10.389 25.683 1.00 28.82 C ATOM 42 C LEU A 634 -11.393 11.082 26.711 1.00 22.00 C ATOM 43 O LEU A 634 -10.954 11.323 27.840 1.00 24.25 O ATOM 44 CB LEU A 634 -9.834 11.429 24.794 1.00 34.00 C ATOM 45 CG LEU A 634 -8.794 10.906 23.805 1.00 47.56 C ATOM 46 CD1 LEU A 634 -7.875 12.044 23.393 1.00 53.90 C ATOM 47 CD2 LEU A 634 -7.996 9.733 24.378 1.00 44.11 C ATOM 48 H LEU A 634 -11.347 9.567 23.850 1.00 0.00 H ATOM 49 N ILE A 635 -12.619 11.450 26.331 1.00 25.36 N ATOM 50 CA ILE A 635 -13.506 12.082 27.300 1.00 38.01 C ATOM 51 C ILE A 635 -13.750 11.137 28.459 1.00 31.75 C ATOM 52 O ILE A 635 -13.705 11.537 29.630 1.00 24.00 O ATOM 53 CB ILE A 635 -14.825 12.527 26.643 1.00 38.64 C ATOM 54 CG1 ILE A 635 -14.578 13.701 25.701 1.00 43.92 C ATOM 55 CG2 ILE A 635 -15.832 12.960 27.704 1.00 36.80 C ATOM 56 CD1 ILE A 635 -13.768 14.800 26.319 1.00 46.25 C ATOM 57 H ILE A 635 -12.938 11.288 25.354 1.00 0.00 H ATOM 58 N LEU A 636 -13.971 9.859 28.154 1.00 36.23 N ATOM 59 CA LEU A 636 -14.165 8.881 29.217 1.00 32.62 C ATOM 60 C LEU A 636 -12.891 8.684 30.026 1.00 31.31 C ATOM 61 O LEU A 636 -12.939 8.632 31.256 1.00 21.51 O ATOM 62 CB LEU A 636 -14.631 7.552 28.638 1.00 39.17 C ATOM 63 CG LEU A 636 -14.691 6.433 29.682 1.00 35.04 C ATOM 64 CD1 LEU A 636 -15.819 6.681 30.693 1.00 30.55 C ATOM 65 CD2 LEU A 636 -14.808 5.059 29.032 1.00 41.45 C ATOM 66 H LEU A 636 -14.005 9.560 27.159 1.00 0.00 H ATOM 67 N LEU A 637 -11.743 8.552 29.359 1.00 30.93 N ATOM 68 CA LEU A 637 -10.513 8.365 30.114 1.00 29.76 C ATOM 69 C LEU A 637 -10.305 9.521 31.072 1.00 29.62 C ATOM 70 O LEU A 637 -9.929 9.314 32.232 1.00 21.05 O ATOM 71 CB LEU A 637 -9.314 8.247 29.180 1.00 32.21 C ATOM 72 CG LEU A 637 -9.001 6.881 28.595 1.00 26.98 C ATOM 73 CD1 LEU A 637 -7.494 6.750 28.466 1.00 23.52 C ATOM 74 CD2 LEU A 637 -9.583 5.755 29.447 1.00 26.76 C ATOM 75 H LEU A 637 -11.727 8.582 28.320 1.00 0.00 H ATOM 76 N ARG A 638 -10.566 10.746 30.597 1.00 24.25 N ATOM 77 CA ARG A 638 -10.355 11.938 31.406 1.00 21.85 C ATOM 78 C ARG A 638 -11.224 11.916 32.644 1.00 19.80 C ATOM 79 O ARG A 638 -10.771 12.281 33.736 1.00 17.22 O ATOM 80 CB ARG A 638 -10.683 13.190 30.600 1.00 24.43 C ATOM 81 CG ARG A 638 -9.608 13.649 29.673 1.00 29.62 C ATOM 82 CD ARG A 638 -10.175 14.772 28.834 1.00 31.65 C ATOM 83 NE ARG A 638 -9.159 15.496 28.082 1.00 30.34 N ATOM 84 CZ ARG A 638 -9.446 16.527 27.302 1.00 43.41 C ATOM 85 NH1 ARG A 638 -10.710 16.920 27.196 1.00 46.86 N ATOM 86 NH2 ARG A 638 -8.479 17.169 26.644 1.00 45.82 N ATOM 87 HE ARG A 638 -8.168 15.191 28.161 1.00 0.00 H ATOM 88 HH12 ARG A 638 -10.954 17.728 26.588 1.00 0.00 H ATOM 89 HH11 ARG A 638 -11.456 16.420 27.721 1.00 0.00 H ATOM 90 HH22 ARG A 638 -8.714 17.978 26.034 1.00 0.00 H ATOM 91 HH21 ARG A 638 -7.491 16.861 26.741 1.00 0.00 H ATOM 92 H ARG A 638 -10.928 10.848 29.627 1.00 0.00 H ATOM 93 N LYS A 639 -12.509 11.609 32.455 1.00 18.04 N ATOM 94 CA LYS A 639 -13.446 11.526 33.567 1.00 27.22 C ATOM 95 C LYS A 639 -13.028 10.444 34.543 1.00 21.87 C ATOM 96 O LYS A 639 -13.150 10.610 35.758 1.00 24.89 O ATOM 97 CB LYS A 639 -14.855 11.250 33.040 1.00 36.75 C ATOM 98 CG LYS A 639 -15.864 10.892 34.123 1.00 32.12 C ATOM 99 CD LYS A 639 -17.273 10.705 33.557 1.00 36.99 C ATOM 100 CE LYS A 639 -17.691 9.250 33.511 1.00 53.93 C ATOM 101 NZ LYS A 639 -19.159 9.118 33.278 1.00 63.23 N ATOM 102 HZ1 LYS A 639 -19.675 9.588 34.049 1.00 0.00 H ATOM 103 HZ2 LYS A 639 -19.406 9.564 32.372 1.00 0.00 H ATOM 104 HZ3 LYS A 639 -19.415 8.110 33.251 1.00 0.00 H ATOM 105 H LYS A 639 -12.850 11.424 31.490 1.00 0.00 H ATOM 106 N THR A 640 -12.545 9.317 34.026 1.00 27.09 N ATOM 107 CA THR A 640 -12.155 8.212 34.891 1.00 18.64 C ATOM 108 C THR A 640 -10.997 8.619 35.795 1.00 15.40 C ATOM 109 O THR A 640 -11.021 8.387 37.001 1.00 25.12 O ATOM 110 CB THR A 640 -11.786 6.996 34.023 1.00 21.68 C ATOM 111 OG1 THR A 640 -12.933 6.580 33.275 1.00 17.76 O ATOM 112 CG2 THR A 640 -11.316 5.845 34.868 1.00 23.85 C ATOM 113 HG1 THR A 640 -13.234 7.323 32.694 1.00 0.00 H ATOM 114 H THR A 640 -12.445 9.224 32.995 1.00 0.00 H ATOM 115 N LEU A 641 -9.986 9.265 35.230 1.00 15.34 N ATOM 116 CA LEU A 641 -8.821 9.646 36.019 1.00 15.15 C ATOM 117 C LEU A 641 -9.200 10.613 37.128 1.00 15.12 C ATOM 118 O LEU A 641 -8.578 10.629 38.192 1.00 18.47 O ATOM 119 CB LEU A 641 -7.772 10.276 35.092 1.00 23.28 C ATOM 120 CG LEU A 641 -6.463 10.764 35.711 1.00 30.09 C ATOM 121 CD1 LEU A 641 -5.700 9.590 36.319 1.00 21.69 C ATOM 122 CD2 LEU A 641 -5.586 11.526 34.684 1.00 15.60 C ATOM 123 H LEU A 641 -10.025 9.501 34.218 1.00 0.00 H ATOM 124 N GLU A 642 -10.160 11.502 36.855 1.00 18.48 N ATOM 125 CA GLU A 642 -10.597 12.430 37.886 1.00 17.80 C ATOM 126 C GLU A 642 -11.325 11.679 38.988 1.00 17.78 C ATOM 127 O GLU A 642 -11.116 11.944 40.177 1.00 26.77 O ATOM 128 CB GLU A 642 -11.493 13.514 37.268 1.00 36.57 C ATOM 129 CG GLU A 642 -11.500 14.828 38.044 1.00 54.49 C ATOM 130 CD GLU A 642 -12.479 15.853 37.485 1.00 68.08 C ATOM 131 OE1 GLU A 642 -13.554 15.455 36.979 1.00 63.97 O ATOM 132 OE2 GLU A 642 -12.165 17.063 37.552 1.00 75.03 O ATOM 133 H GLU A 642 -10.593 11.530 35.910 1.00 0.00 H ATOM 134 N GLN A 643 -12.131 10.681 38.613 1.00 21.42 N ATOM 135 CA GLN A 643 -12.734 9.833 39.625 1.00 21.06 C ATOM 136 C GLN A 643 -11.663 9.129 40.439 1.00 18.06 C ATOM 137 O GLN A 643 -11.776 9.020 41.661 1.00 21.86 O ATOM 138 CB GLN A 643 -13.676 8.803 38.982 1.00 22.78 C ATOM 139 CG GLN A 643 -14.899 9.415 38.305 1.00 27.90 C ATOM 140 CD GLN A 643 -15.799 8.356 37.693 1.00 43.40 C ATOM 141 OE1 GLN A 643 -15.338 7.268 37.344 1.00 50.45 O ATOM 142 NE2 GLN A 643 -17.088 8.663 37.570 1.00 35.73 N ATOM 143 HE22 GLN A 643 -17.432 9.595 37.878 1.00 0.00 H ATOM 144 HE21 GLN A 643 -17.751 7.971 37.165 1.00 0.00 H ATOM 145 H GLN A 643 -12.324 10.513 37.605 1.00 0.00 H ATOM 146 N LEU A 644 -10.607 8.650 39.779 1.00 15.76 N ATOM 147 CA LEU A 644 -9.537 8.005 40.524 1.00 22.21 C ATOM 148 C LEU A 644 -8.892 8.996 41.471 1.00 24.99 C ATOM 149 O LEU A 644 -8.741 8.719 42.663 1.00 21.90 O ATOM 150 CB LEU A 644 -8.496 7.425 39.560 1.00 18.48 C ATOM 151 CG LEU A 644 -9.002 6.278 38.712 1.00 23.61 C ATOM 152 CD1 LEU A 644 -7.928 5.868 37.688 1.00 20.94 C ATOM 153 CD2 LEU A 644 -9.419 5.099 39.623 1.00 20.14 C ATOM 154 H LEU A 644 -10.550 8.737 38.744 1.00 0.00 H ATOM 155 N GLN A 645 -8.511 10.174 40.954 1.00 16.66 N ATOM 156 CA GLN A 645 -7.917 11.180 41.832 1.00 25.10 C ATOM 157 C GLN A 645 -8.824 11.482 43.015 1.00 27.71 C ATOM 158 O GLN A 645 -8.339 11.656 44.137 1.00 24.78 O ATOM 159 CB GLN A 645 -7.598 12.468 41.065 1.00 24.55 C ATOM 160 CG GLN A 645 -6.473 12.336 40.056 1.00 47.99 C ATOM 161 CD GLN A 645 -5.898 13.669 39.625 1.00 55.31 C ATOM 162 OE1 GLN A 645 -5.872 14.624 40.403 1.00 74.74 O ATOM 163 NE2 GLN A 645 -5.437 13.745 38.376 1.00 54.41 N ATOM 164 HE22 GLN A 645 -5.480 12.912 37.754 1.00 0.00 H ATOM 165 HE21 GLN A 645 -5.035 14.637 38.023 1.00 0.00 H ATOM 166 H GLN A 645 -8.637 10.369 39.940 1.00 0.00 H ATOM 167 N GLU A 646 -10.146 11.497 42.795 1.00 23.50 N ATOM 168 CA GLU A 646 -11.071 11.849 43.872 1.00 30.88 C ATOM 169 C GLU A 646 -10.972 10.901 45.059 1.00 31.40 C ATOM 170 O GLU A 646 -11.299 11.298 46.180 1.00 27.85 O ATOM 171 CB GLU A 646 -12.514 11.883 43.355 1.00 30.62 C ATOM 172 CG GLU A 646 -12.884 13.146 42.588 1.00 33.29 C ATOM 173 CD GLU A 646 -14.070 12.984 41.620 1.00 51.53 C ATOM 174 OE1 GLU A 646 -14.934 12.099 41.832 1.00 57.29 O ATOM 175 OE2 GLU A 646 -14.133 13.754 40.630 1.00 56.00 O ATOM 176 H GLU A 646 -10.516 11.257 41.853 1.00 0.00 H ATOM 177 N LYS A 647 -10.510 9.664 44.856 1.00 22.31 N ATOM 178 CA LYS A 647 -10.407 8.739 45.974 1.00 16.88 C ATOM 179 C LYS A 647 -9.197 9.032 46.842 1.00 25.27 C ATOM 180 O LYS A 647 -9.198 8.704 48.032 1.00 36.65 O ATOM 181 CB LYS A 647 -10.338 7.296 45.467 1.00 21.49 C ATOM 182 CG LYS A 647 -11.414 6.955 44.454 1.00 34.23 C ATOM 183 CD LYS A 647 -12.802 6.978 45.061 1.00 37.40 C ATOM 184 CE LYS A 647 -13.823 6.402 44.068 1.00 32.12 C ATOM 185 NZ LYS A 647 -15.082 5.982 44.738 1.00 35.48 N ATOM 186 HZ1 LYS A 647 -14.869 5.250 45.445 1.00 0.00 H ATOM 187 HZ2 LYS A 647 -15.514 6.803 45.207 1.00 0.00 H ATOM 188 HZ3 LYS A 647 -15.740 5.600 44.029 1.00 0.00 H ATOM 189 H LYS A 647 -10.225 9.363 43.902 1.00 0.00 H ATOM 190 N ASP A 648 -8.192 9.677 46.272 1.00 20.28 N ATOM 191 CA ASP A 648 -6.950 10.053 46.960 1.00 26.36 C ATOM 192 C ASP A 648 -7.157 11.399 47.664 1.00 23.75 C ATOM 193 O ASP A 648 -6.648 12.454 47.265 1.00 27.35 O ATOM 194 CB ASP A 648 -5.816 10.094 45.938 1.00 35.00 C ATOM 195 CG ASP A 648 -4.515 10.652 46.475 1.00 32.37 C ATOM 196 OD1 ASP A 648 -4.246 10.526 47.693 1.00 23.60 O ATOM 197 OD2 ASP A 648 -3.737 11.189 45.640 1.00 29.67 O ATOM 198 H ASP A 648 -8.288 9.935 45.269 1.00 0.00 H ATOM 199 N THR A 649 -7.921 11.336 48.757 1.00 25.04 N ATOM 200 CA THR A 649 -8.312 12.543 49.477 1.00 30.07 C ATOM 201 C THR A 649 -7.107 13.258 50.073 1.00 35.18 C ATOM 202 O THR A 649 -7.135 14.478 50.237 1.00 41.38 O ATOM 203 CB THR A 649 -9.313 12.194 50.585 1.00 28.42 C ATOM 204 OG1 THR A 649 -8.708 11.257 51.486 1.00 41.64 O ATOM 205 CG2 THR A 649 -10.568 11.563 49.996 1.00 24.62 C ATOM 206 HG1 THR A 649 -9.351 11.029 52.203 1.00 0.00 H ATOM 207 H THR A 649 -8.243 10.409 49.102 1.00 0.00 H ATOM 208 N GLY A 650 -6.044 12.520 50.401 1.00 39.99 N ATOM 209 CA GLY A 650 -4.839 13.118 50.931 1.00 33.10 C ATOM 210 C GLY A 650 -3.857 13.651 49.905 1.00 32.46 C ATOM 211 O GLY A 650 -2.820 14.189 50.296 1.00 30.53 O ATOM 212 H GLY A 650 -6.084 11.489 50.272 1.00 0.00 H ATOM 213 N ASN A 651 -4.161 13.526 48.612 1.00 15.57 N ATOM 214 CA ASN A 651 -3.259 13.931 47.528 1.00 23.24 C ATOM 215 C ASN A 651 -1.898 13.244 47.624 1.00 30.71 C ATOM 216 O ASN A 651 -0.869 13.815 47.286 1.00 23.54 O ATOM 217 CB ASN A 651 -3.073 15.458 47.487 1.00 25.30 C ATOM 218 CG ASN A 651 -4.328 16.180 47.026 1.00 28.82 C ATOM 219 OD1 ASN A 651 -4.991 15.753 46.079 1.00 32.11 O ATOM 220 ND2 ASN A 651 -4.672 17.261 47.708 1.00 32.37 N ATOM 221 HD22 ASN A 651 -4.082 17.585 48.501 1.00 0.00 H ATOM 222 HD21 ASN A 651 -5.532 17.786 47.451 1.00 0.00 H ATOM 223 H ASN A 651 -5.085 13.121 48.359 1.00 0.00 H ATOM 224 N ILE A 652 -1.869 11.993 48.071 1.00 37.62 N ATOM 225 CA ILE A 652 -0.555 11.364 48.210 1.00 36.37 C ATOM 226 C ILE A 652 -0.115 10.624 46.959 1.00 22.74 C ATOM 227 O ILE A 652 1.057 10.208 46.879 1.00 22.09 O ATOM 228 CB ILE A 652 -0.503 10.420 49.419 1.00 38.20 C ATOM 229 CG1 ILE A 652 -1.499 9.297 49.246 1.00 38.90 C ATOM 230 CG2 ILE A 652 -0.783 11.184 50.706 1.00 37.32 C ATOM 231 CD1 ILE A 652 -1.673 8.501 50.509 1.00 43.94 C ATOM 232 H ILE A 652 -2.743 11.483 48.312 1.00 0.00 H ATOM 233 N PHE A 653 -1.012 10.433 45.989 1.00 18.29 N ATOM 234 CA PHE A 653 -0.700 9.814 44.710 1.00 26.95 C ATOM 235 C PHE A 653 -0.796 10.801 43.548 1.00 20.00 C ATOM 236 O PHE A 653 -0.664 10.394 42.395 1.00 22.14 O ATOM 237 CB PHE A 653 -1.635 8.627 44.445 1.00 24.17 C ATOM 238 CG PHE A 653 -1.659 7.619 45.560 1.00 31.58 C ATOM 239 CD1 PHE A 653 -0.629 6.703 45.708 1.00 17.09 C ATOM 240 CD2 PHE A 653 -2.710 7.603 46.468 1.00 32.50 C ATOM 241 CE1 PHE A 653 -0.647 5.790 46.727 1.00 22.06 C ATOM 242 CE2 PHE A 653 -2.745 6.701 47.496 1.00 22.86 C ATOM 243 CZ PHE A 653 -1.718 5.775 47.638 1.00 23.57 C ATOM 244 H PHE A 653 -1.990 10.745 46.157 1.00 0.00 H ATOM 245 N SER A 654 -1.031 12.084 43.800 1.00 24.12 N ATOM 246 CA SER A 654 -1.372 12.955 42.682 1.00 20.56 C ATOM 247 C SER A 654 -0.162 13.576 41.990 1.00 21.55 C ATOM 248 O SER A 654 -0.335 14.205 40.946 1.00 18.65 O ATOM 249 CB SER A 654 -2.325 14.066 43.150 1.00 25.15 C ATOM 250 OG SER A 654 -1.824 14.693 44.308 1.00 21.84 O ATOM 251 HG SER A 654 -0.939 15.091 44.110 1.00 0.00 H ATOM 252 H SER A 654 -0.973 12.457 44.769 1.00 0.00 H ATOM 253 N GLU A 655 1.031 13.451 42.552 1.00 25.04 N ATOM 254 CA GLU A 655 2.270 13.887 41.921 1.00 23.69 C ATOM 255 C GLU A 655 3.331 12.845 42.222 1.00 17.62 C ATOM 256 O GLU A 655 3.183 12.073 43.181 1.00 18.57 O ATOM 257 CB GLU A 655 2.692 15.267 42.448 1.00 22.12 C ATOM 258 CG GLU A 655 1.739 16.420 42.002 1.00 22.04 C ATOM 259 CD GLU A 655 0.751 16.831 43.086 1.00 28.25 C ATOM 260 OE1 GLU A 655 -0.157 17.654 42.808 1.00 31.58 O ATOM 261 OE2 GLU A 655 0.891 16.339 44.219 1.00 34.07 O ATOM 262 H GLU A 655 1.086 13.018 43.496 1.00 0.00 H ATOM 263 N PRO A 656 4.402 12.749 41.413 1.00 23.61 N ATOM 264 CA PRO A 656 5.417 11.713 41.664 1.00 16.29 C ATOM 265 C PRO A 656 5.965 11.769 43.078 1.00 18.55 C ATOM 266 O PRO A 656 6.030 12.839 43.706 1.00 24.56 O ATOM 267 CB PRO A 656 6.524 12.036 40.646 1.00 29.50 C ATOM 268 CG PRO A 656 5.916 12.914 39.644 1.00 23.83 C ATOM 269 CD PRO A 656 4.827 13.663 40.330 1.00 22.99 C ATOM 270 N VAL A 657 6.354 10.602 43.586 1.00 19.43 N ATOM 271 CA VAL A 657 6.952 10.578 44.925 1.00 16.76 C ATOM 272 C VAL A 657 8.160 11.517 44.929 1.00 26.50 C ATOM 273 O VAL A 657 8.979 11.485 43.984 1.00 22.70 O ATOM 274 CB VAL A 657 7.369 9.153 45.313 1.00 21.72 C ATOM 275 CG1 VAL A 657 8.151 9.169 46.588 1.00 15.83 C ATOM 276 CG2 VAL A 657 6.136 8.229 45.456 1.00 28.16 C ATOM 277 H VAL A 657 6.236 9.723 43.043 1.00 0.00 H ATOM 278 N PRO A 658 8.304 12.371 45.897 1.00 20.53 N ATOM 279 CA PRO A 658 9.420 13.329 45.857 1.00 23.11 C ATOM 280 C PRO A 658 10.751 12.674 46.157 1.00 24.06 C ATOM 281 O PRO A 658 10.987 12.255 47.286 1.00 24.54 O ATOM 282 CB PRO A 658 9.048 14.348 46.933 1.00 21.78 C ATOM 283 CG PRO A 658 8.178 13.626 47.853 1.00 16.31 C ATOM 284 CD PRO A 658 7.412 12.599 47.044 1.00 19.00 C ATOM 285 N LEU A 659 11.625 12.561 45.157 1.00 25.60 N ATOM 286 CA LEU A 659 12.842 11.785 45.348 1.00 25.05 C ATOM 287 C LEU A 659 13.834 12.481 46.270 1.00 33.30 C ATOM 288 O LEU A 659 14.716 11.815 46.815 1.00 29.88 O ATOM 289 CB LEU A 659 13.480 11.478 43.978 1.00 26.79 C ATOM 290 CG LEU A 659 12.601 10.659 43.017 1.00 21.58 C ATOM 291 CD1 LEU A 659 13.350 10.284 41.732 1.00 32.42 C ATOM 292 CD2 LEU A 659 12.103 9.408 43.700 1.00 26.51 C ATOM 293 H LEU A 659 11.439 13.025 44.245 1.00 0.00 H ATOM 294 N SER A 660 13.708 13.799 46.469 1.00 27.90 N ATOM 295 CA SER A 660 14.531 14.471 47.475 1.00 32.40 C ATOM 296 C SER A 660 14.216 13.955 48.866 1.00 35.31 C ATOM 297 O SER A 660 15.108 13.847 49.719 1.00 28.33 O ATOM 298 CB SER A 660 14.313 15.982 47.418 1.00 34.32 C ATOM 299 OG SER A 660 12.938 16.303 47.496 1.00 40.55 O ATOM 300 HG SER A 660 12.459 15.885 46.737 1.00 0.00 H ATOM 301 H SER A 660 13.024 14.346 45.908 1.00 0.00 H ATOM 302 N GLU A 661 12.948 13.643 49.119 1.00 30.77 N ATOM 303 CA GLU A 661 12.550 13.097 50.403 1.00 28.08 C ATOM 304 C GLU A 661 12.672 11.584 50.463 1.00 23.86 C ATOM 305 O GLU A 661 12.706 11.027 51.562 1.00 28.85 O ATOM 306 CB GLU A 661 11.100 13.478 50.716 1.00 32.23 C ATOM 307 CG GLU A 661 10.840 14.991 50.785 1.00 33.63 C ATOM 308 CD GLU A 661 10.931 15.537 52.203 1.00 42.61 C ATOM 309 OE1 GLU A 661 9.894 15.984 52.741 1.00 45.78 O ATOM 310 OE2 GLU A 661 12.033 15.499 52.790 1.00 41.97 O ATOM 311 H GLU A 661 12.229 13.793 48.383 1.00 0.00 H ATOM 312 N VAL A 662 12.693 10.903 49.320 1.00 26.03 N ATOM 313 CA VAL A 662 12.756 9.446 49.317 1.00 31.84 C ATOM 314 C VAL A 662 13.885 9.014 48.387 1.00 32.03 C ATOM 315 O VAL A 662 13.628 8.443 47.320 1.00 25.91 O ATOM 316 CB VAL A 662 11.406 8.828 48.914 1.00 21.46 C ATOM 317 CG1 VAL A 662 11.395 7.398 49.327 1.00 28.24 C ATOM 318 CG2 VAL A 662 10.230 9.590 49.604 1.00 25.71 C ATOM 319 H VAL A 662 12.664 11.417 48.416 1.00 0.00 H ATOM 320 N PRO A 663 15.145 9.262 48.762 1.00 26.14 N ATOM 321 CA PRO A 663 16.253 9.104 47.805 1.00 29.79 C ATOM 322 C PRO A 663 16.490 7.677 47.348 1.00 29.80 C ATOM 323 O PRO A 663 17.151 7.484 46.312 1.00 26.00 O ATOM 324 CB PRO A 663 17.467 9.631 48.588 1.00 38.14 C ATOM 325 CG PRO A 663 16.892 10.401 49.735 1.00 39.29 C ATOM 326 CD PRO A 663 15.614 9.734 50.071 1.00 27.80 C ATOM 327 N ASP A 664 16.008 6.669 48.080 1.00 28.39 N ATOM 328 CA ASP A 664 16.173 5.292 47.621 1.00 35.87 C ATOM 329 C ASP A 664 14.962 4.766 46.857 1.00 39.66 C ATOM 330 O ASP A 664 14.975 3.607 46.426 1.00 32.34 O ATOM 331 CB ASP A 664 16.467 4.360 48.804 1.00 42.66 C ATOM 332 CG ASP A 664 15.313 4.270 49.776 1.00 45.44 C ATOM 333 OD1 ASP A 664 14.387 5.103 49.686 1.00 40.83 O ATOM 334 OD2 ASP A 664 15.336 3.365 50.635 1.00 42.75 O ATOM 335 H ASP A 664 15.516 6.864 48.975 1.00 0.00 H ATOM 336 N TYR A 665 13.919 5.582 46.680 1.00 34.60 N ATOM 337 CA TYR A 665 12.715 5.114 46.001 1.00 28.17 C ATOM 338 C TYR A 665 13.035 4.403 44.697 1.00 25.55 C ATOM 339 O TYR A 665 12.552 3.297 44.442 1.00 35.21 O ATOM 340 CB TYR A 665 11.782 6.292 45.726 1.00 24.52 C ATOM 341 CG TYR A 665 10.406 5.848 45.306 1.00 17.60 C ATOM 342 CD1 TYR A 665 9.549 5.239 46.214 1.00 16.06 C ATOM 343 CD2 TYR A 665 9.952 6.069 44.029 1.00 25.68 C ATOM 344 CE1 TYR A 665 8.275 4.848 45.831 1.00 17.48 C ATOM 345 CE2 TYR A 665 8.685 5.685 43.641 1.00 29.70 C ATOM 346 CZ TYR A 665 7.855 5.069 44.547 1.00 27.82 C ATOM 347 OH TYR A 665 6.600 4.674 44.142 1.00 25.91 O ATOM 348 HH TYR A 665 6.128 4.250 44.902 1.00 0.00 H ATOM 349 H TYR A 665 13.966 6.560 47.030 1.00 0.00 H ATOM 350 N LEU A 666 13.829 5.040 43.839 1.00 27.62 N ATOM 351 CA LEU A 666 14.155 4.451 42.550 1.00 24.94 C ATOM 352 C LEU A 666 15.084 3.255 42.665 1.00 30.16 C ATOM 353 O LEU A 666 15.279 2.551 41.666 1.00 36.99 O ATOM 354 CB LEU A 666 14.793 5.497 41.633 1.00 40.77 C ATOM 355 CG LEU A 666 13.865 6.552 41.049 1.00 39.42 C ATOM 356 CD1 LEU A 666 14.640 7.421 40.084 1.00 47.29 C ATOM 357 CD2 LEU A 666 12.739 5.859 40.331 1.00 34.60 C ATOM 358 H LEU A 666 14.221 5.969 44.093 1.00 0.00 H ATOM 359 N ASP A 667 15.639 2.994 43.848 1.00 34.46 N ATOM 360 CA ASP A 667 16.427 1.777 44.026 1.00 41.34 C ATOM 361 C ASP A 667 15.561 0.521 43.952 1.00 45.31 C ATOM 362 O ASP A 667 16.048 -0.537 43.534 1.00 35.16 O ATOM 363 CB ASP A 667 17.175 1.808 45.361 1.00 32.94 C ATOM 364 CG ASP A 667 18.264 2.877 45.407 1.00 42.07 C ATOM 365 OD1 ASP A 667 18.525 3.537 44.369 1.00 41.43 O ATOM 366 OD2 ASP A 667 18.857 3.052 46.492 1.00 49.10 O ATOM 367 H ASP A 667 15.512 3.654 44.641 1.00 0.00 H ATOM 368 N HIS A 668 14.289 0.613 44.349 1.00 35.01 N ATOM 369 CA HIS A 668 13.390 -0.539 44.399 1.00 44.87 C ATOM 370 C HIS A 668 12.264 -0.492 43.381 1.00 35.11 C ATOM 371 O HIS A 668 11.740 -1.547 42.994 1.00 38.00 O ATOM 372 CB HIS A 668 12.756 -0.668 45.790 1.00 50.19 C ATOM 373 CG HIS A 668 13.750 -0.691 46.905 1.00 57.14 C ATOM 374 ND1 HIS A 668 14.185 0.455 47.536 1.00 60.08 N ATOM 375 CD2 HIS A 668 14.402 -1.719 47.497 1.00 56.15 C ATOM 376 CE1 HIS A 668 15.058 0.134 48.474 1.00 59.11 C ATOM 377 NE2 HIS A 668 15.206 -1.179 48.471 1.00 59.81 N ATOM 378 H HIS A 668 13.923 1.543 44.635 1.00 0.00 H ATOM 379 N ILE A 669 11.875 0.692 42.946 1.00 27.21 N ATOM 380 CA ILE A 669 10.704 0.869 42.101 1.00 23.85 C ATOM 381 C ILE A 669 11.172 1.070 40.674 1.00 24.52 C ATOM 382 O ILE A 669 11.865 2.050 40.370 1.00 33.53 O ATOM 383 CB ILE A 669 9.847 2.048 42.580 1.00 29.18 C ATOM 384 CG1 ILE A 669 9.292 1.753 43.975 1.00 24.17 C ATOM 385 CG2 ILE A 669 8.763 2.384 41.545 1.00 26.19 C ATOM 386 CD1 ILE A 669 8.401 0.472 44.076 1.00 30.18 C ATOM 387 H ILE A 669 12.427 1.531 43.218 1.00 0.00 H ATOM 388 N LYS A 670 10.748 0.166 39.796 1.00 24.72 N ATOM 389 CA LYS A 670 11.217 0.134 38.415 1.00 32.72 C ATOM 390 C LYS A 670 10.559 1.194 37.553 1.00 33.25 C ATOM 391 O LYS A 670 11.193 1.712 36.632 1.00 29.14 O ATOM 392 CB LYS A 670 10.952 -1.238 37.795 1.00 32.34 C ATOM 393 CG LYS A 670 11.672 -2.388 38.468 1.00 38.12 C ATOM 394 CD LYS A 670 11.639 -3.623 37.578 1.00 28.72 C ATOM 395 H LYS A 670 10.056 -0.545 40.106 1.00 0.00 H ATOM 396 N LYS A 671 9.292 1.504 37.819 1.00 33.30 N ATOM 397 CA LYS A 671 8.518 2.449 37.016 1.00 25.69 C ATOM 398 C LYS A 671 7.602 3.214 37.962 1.00 29.71 C ATOM 399 O LYS A 671 6.513 2.744 38.312 1.00 23.43 O ATOM 400 CB LYS A 671 7.713 1.738 35.927 1.00 28.96 C ATOM 401 CG LYS A 671 7.093 2.690 34.899 1.00 33.45 C ATOM 402 CD LYS A 671 6.301 1.926 33.851 1.00 30.48 C ATOM 403 CE LYS A 671 5.195 2.767 33.219 1.00 45.52 C ATOM 404 NZ LYS A 671 5.625 3.465 31.983 1.00 45.60 N ATOM 405 HZ1 LYS A 671 6.417 4.102 32.204 1.00 0.00 H ATOM 406 HZ2 LYS A 671 5.929 2.763 31.278 1.00 0.00 H ATOM 407 HZ3 LYS A 671 4.830 4.018 31.604 1.00 0.00 H ATOM 408 H LYS A 671 8.832 1.053 38.635 1.00 0.00 H ATOM 409 N PRO A 672 8.038 4.380 38.440 1.00 26.79 N ATOM 410 CA PRO A 672 7.162 5.211 39.270 1.00 29.62 C ATOM 411 C PRO A 672 5.960 5.670 38.471 1.00 21.38 C ATOM 412 O PRO A 672 6.030 5.817 37.251 1.00 20.88 O ATOM 413 CB PRO A 672 8.056 6.396 39.653 1.00 26.66 C ATOM 414 CG PRO A 672 9.429 5.874 39.522 1.00 30.37 C ATOM 415 CD PRO A 672 9.389 4.949 38.341 1.00 27.37 C ATOM 416 N MET A 673 4.860 5.932 39.184 1.00 16.45 N ATOM 417 CA MET A 673 3.622 6.381 38.568 1.00 17.78 C ATOM 418 C MET A 673 2.832 7.206 39.578 1.00 14.69 C ATOM 419 O MET A 673 2.986 7.040 40.793 1.00 22.16 O ATOM 420 CB MET A 673 2.778 5.188 38.060 1.00 15.48 C ATOM 421 CG MET A 673 1.648 5.600 37.049 1.00 20.25 C ATOM 422 SD MET A 673 2.104 6.692 35.670 1.00 23.03 S ATOM 423 CE MET A 673 3.384 5.732 34.825 1.00 21.58 C ATOM 424 H MET A 673 4.891 5.810 40.216 1.00 0.00 H ATOM 425 N ASP A 674 2.017 8.126 39.059 1.00 18.67 N ATOM 426 CA ASP A 674 1.178 8.994 39.879 1.00 14.59 C ATOM 427 C ASP A 674 0.137 9.610 38.951 1.00 14.91 C ATOM 428 O ASP A 674 0.235 9.480 37.739 1.00 19.82 O ATOM 429 CB ASP A 674 2.032 10.076 40.523 1.00 14.60 C ATOM 430 CG ASP A 674 2.699 10.926 39.469 1.00 29.56 C ATOM 431 OD1 ASP A 674 3.679 10.454 38.843 1.00 29.11 O ATOM 432 OD2 ASP A 674 2.164 12.009 39.179 1.00 23.47 O ATOM 433 H ASP A 674 1.978 8.229 38.025 1.00 0.00 H ATOM 434 N PHE A 675 -0.841 10.342 39.524 1.00 17.64 N ATOM 435 CA PHE A 675 -1.977 10.779 38.694 1.00 16.70 C ATOM 436 C PHE A 675 -1.619 11.890 37.703 1.00 16.21 C ATOM 437 O PHE A 675 -2.272 12.027 36.668 1.00 22.29 O ATOM 438 CB PHE A 675 -3.124 11.248 39.586 1.00 14.59 C ATOM 439 CG PHE A 675 -3.839 10.099 40.289 1.00 15.43 C ATOM 440 CD1 PHE A 675 -4.158 8.927 39.583 1.00 20.69 C ATOM 441 CD2 PHE A 675 -4.163 10.185 41.628 1.00 22.09 C ATOM 442 CE1 PHE A 675 -4.835 7.854 40.221 1.00 14.61 C ATOM 443 CE2 PHE A 675 -4.819 9.131 42.266 1.00 27.53 C ATOM 444 CZ PHE A 675 -5.160 7.980 41.559 1.00 19.30 C ATOM 445 H PHE A 675 -0.794 10.593 40.532 1.00 0.00 H ATOM 446 N PHE A 676 -0.675 12.756 38.040 1.00 14.63 N ATOM 447 CA PHE A 676 -0.347 13.833 37.103 1.00 14.69 C ATOM 448 C PHE A 676 0.385 13.272 35.887 1.00 14.73 C ATOM 449 O PHE A 676 0.056 13.587 34.741 1.00 27.63 O ATOM 450 CB PHE A 676 0.482 14.882 37.838 1.00 23.70 C ATOM 451 CG PHE A 676 1.099 15.886 36.940 1.00 30.29 C ATOM 452 CD1 PHE A 676 0.319 16.855 36.349 1.00 25.10 C ATOM 453 CD2 PHE A 676 2.456 15.858 36.680 1.00 37.93 C ATOM 454 CE1 PHE A 676 0.894 17.799 35.501 1.00 37.25 C ATOM 455 CE2 PHE A 676 3.039 16.791 35.833 1.00 44.68 C ATOM 456 CZ PHE A 676 2.252 17.766 35.246 1.00 35.91 C ATOM 457 H PHE A 676 -0.178 12.673 38.950 1.00 0.00 H ATOM 458 N THR A 677 1.330 12.374 36.126 1.00 19.17 N ATOM 459 CA THR A 677 1.993 11.663 35.035 1.00 18.48 C ATOM 460 C THR A 677 0.977 10.964 34.138 1.00 14.80 C ATOM 461 O THR A 677 1.043 11.060 32.913 1.00 14.88 O ATOM 462 CB THR A 677 2.998 10.654 35.605 1.00 16.44 C ATOM 463 OG1 THR A 677 4.018 11.317 36.372 1.00 20.07 O ATOM 464 CG2 THR A 677 3.665 9.860 34.473 1.00 25.53 C ATOM 465 HG1 THR A 677 4.504 11.955 35.791 1.00 0.00 H ATOM 466 H THR A 677 1.605 12.172 37.108 1.00 0.00 H ATOM 467 N MET A 678 0.000 10.276 34.732 1.00 18.39 N ATOM 468 CA MET A 678 -1.043 9.676 33.908 1.00 14.84 C ATOM 469 C MET A 678 -1.795 10.755 33.149 1.00 16.16 C ATOM 470 O MET A 678 -2.122 10.572 31.977 1.00 19.96 O ATOM 471 CB MET A 678 -2.027 8.875 34.779 1.00 19.28 C ATOM 472 CG MET A 678 -1.470 7.607 35.420 1.00 20.99 C ATOM 473 SD MET A 678 -2.792 6.582 36.215 1.00 22.01 S ATOM 474 CE MET A 678 -3.852 6.319 34.851 1.00 14.87 C ATOM 475 H MET A 678 -0.017 10.169 35.766 1.00 0.00 H ATOM 476 N LYS A 679 -2.107 11.887 33.815 1.00 17.48 N ATOM 477 CA LYS A 679 -2.778 12.968 33.102 1.00 21.19 C ATOM 478 C LYS A 679 -1.931 13.413 31.921 1.00 15.06 C ATOM 479 O LYS A 679 -2.447 13.639 30.821 1.00 19.79 O ATOM 480 CB LYS A 679 -3.050 14.146 34.041 1.00 18.46 C ATOM 481 CG LYS A 679 -3.794 15.326 33.419 1.00 29.64 C ATOM 482 CD LYS A 679 -5.143 14.906 32.875 1.00 28.54 C ATOM 483 CE LYS A 679 -6.069 16.115 32.788 1.00 19.94 C ATOM 484 NZ LYS A 679 -7.251 15.782 31.942 1.00 26.97 N ATOM 485 HZ1 LYS A 679 -6.930 15.523 30.987 1.00 0.00 H ATOM 486 HZ2 LYS A 679 -7.765 14.983 32.365 1.00 0.00 H ATOM 487 HZ3 LYS A 679 -7.879 16.609 31.885 1.00 0.00 H ATOM 488 H LYS A 679 -1.872 11.987 34.823 1.00 0.00 H ATOM 489 N GLN A 680 -0.621 13.494 32.130 1.00 17.51 N ATOM 490 CA GLN A 680 0.282 13.864 31.046 1.00 28.76 C ATOM 491 C GLN A 680 0.230 12.847 29.919 1.00 28.76 C ATOM 492 O GLN A 680 0.119 13.214 28.745 1.00 28.65 O ATOM 493 CB GLN A 680 1.701 13.990 31.576 1.00 25.66 C ATOM 494 CG GLN A 680 1.947 15.195 32.401 1.00 16.30 C ATOM 495 CD GLN A 680 3.418 15.344 32.689 1.00 35.39 C ATOM 496 OE1 GLN A 680 4.013 16.391 32.435 1.00 31.83 O ATOM 497 NE2 GLN A 680 4.028 14.276 33.198 1.00 34.32 N ATOM 498 HE22 GLN A 680 3.484 13.412 33.397 1.00 0.00 H ATOM 499 HE21 GLN A 680 5.048 14.306 33.397 1.00 0.00 H ATOM 500 H GLN A 680 -0.236 13.292 33.075 1.00 0.00 H ATOM 501 N ASN A 681 0.303 11.555 30.256 1.00 27.76 N ATOM 502 CA ASN A 681 0.171 10.533 29.222 1.00 26.35 C ATOM 503 C ASN A 681 -1.156 10.664 28.493 1.00 32.47 C ATOM 504 O ASN A 681 -1.218 10.523 27.266 1.00 28.73 O ATOM 505 CB ASN A 681 0.307 9.137 29.834 1.00 22.89 C ATOM 506 CG ASN A 681 1.662 8.922 30.457 1.00 29.12 C ATOM 507 OD1 ASN A 681 2.595 9.675 30.170 1.00 33.48 O ATOM 508 ND2 ASN A 681 1.777 7.931 31.343 1.00 23.76 N ATOM 509 HD22 ASN A 681 0.960 7.322 31.551 1.00 0.00 H ATOM 510 HD21 ASN A 681 2.684 7.767 31.825 1.00 0.00 H ATOM 511 H ASN A 681 0.453 11.280 31.248 1.00 0.00 H ATOM 512 N LEU A 682 -2.231 10.931 29.239 1.00 25.17 N ATOM 513 CA LEU A 682 -3.548 11.035 28.631 1.00 19.01 C ATOM 514 C LEU A 682 -3.572 12.133 27.580 1.00 20.92 C ATOM 515 O LEU A 682 -4.035 11.923 26.457 1.00 34.21 O ATOM 516 CB LEU A 682 -4.605 11.308 29.715 1.00 22.36 C ATOM 517 CG LEU A 682 -6.080 10.946 29.473 1.00 36.96 C ATOM 518 CD1 LEU A 682 -6.898 11.222 30.731 1.00 36.01 C ATOM 519 CD2 LEU A 682 -6.708 11.664 28.310 1.00 36.09 C ATOM 520 H LEU A 682 -2.125 11.066 30.265 1.00 0.00 H ATOM 521 N GLU A 683 -3.112 13.327 27.941 1.00 26.64 N ATOM 522 CA GLU A 683 -3.292 14.448 27.035 1.00 29.87 C ATOM 523 C GLU A 683 -2.346 14.393 25.846 1.00 37.68 C ATOM 524 O GLU A 683 -2.552 15.144 24.887 1.00 33.13 O ATOM 525 CB GLU A 683 -3.129 15.762 27.794 1.00 30.26 C ATOM 526 CG GLU A 683 -4.154 15.933 28.904 1.00 29.67 C ATOM 527 CD GLU A 683 -5.600 15.906 28.408 1.00 36.58 C ATOM 528 OE1 GLU A 683 -5.849 16.260 27.233 1.00 33.06 O ATOM 529 OE2 GLU A 683 -6.498 15.546 29.207 1.00 29.95 O ATOM 530 H GLU A 683 -2.632 13.456 28.855 1.00 0.00 H ATOM 531 N ALA A 684 -1.346 13.511 25.875 1.00 32.39 N ATOM 532 CA ALA A 684 -0.433 13.297 24.759 1.00 32.92 C ATOM 533 C ALA A 684 -0.839 12.134 23.867 1.00 37.37 C ATOM 534 O ALA A 684 -0.089 11.786 22.945 1.00 29.11 O ATOM 535 CB ALA A 684 0.988 13.057 25.280 1.00 29.03 C ATOM 536 H ALA A 684 -1.211 12.947 26.738 1.00 0.00 H ATOM 537 N TYR A 685 -2.000 11.520 24.122 1.00 31.14 N ATOM 538 CA TYR A 685 -2.512 10.397 23.332 1.00 33.87 C ATOM 539 C TYR A 685 -1.643 9.146 23.479 1.00 23.52 C ATOM 540 O TYR A 685 -1.542 8.330 22.557 1.00 31.96 O ATOM 541 CB TYR A 685 -2.661 10.771 21.852 1.00 42.61 C ATOM 542 CG TYR A 685 -3.307 12.121 21.598 1.00 49.87 C ATOM 543 CD1 TYR A 685 -4.687 12.259 21.570 1.00 49.32 C ATOM 544 CD2 TYR A 685 -2.532 13.255 21.360 1.00 62.83 C ATOM 545 CE1 TYR A 685 -5.286 13.493 21.324 1.00 51.83 C ATOM 546 CE2 TYR A 685 -3.116 14.494 21.118 1.00 64.75 C ATOM 547 CZ TYR A 685 -4.494 14.606 21.100 1.00 66.30 C ATOM 548 OH TYR A 685 -5.077 15.832 20.857 1.00 74.78 O ATOM 549 HH TYR A 685 -6.062 15.738 20.879 1.00 0.00 H ATOM 550 H TYR A 685 -2.570 11.858 24.924 1.00 0.00 H ATOM 551 N ARG A 686 -0.994 8.982 24.627 1.00 26.93 N ATOM 552 CA ARG A 686 -0.245 7.763 24.874 1.00 30.98 C ATOM 553 C ARG A 686 -1.127 6.616 25.371 1.00 32.57 C ATOM 554 O ARG A 686 -0.691 5.456 25.328 1.00 29.96 O ATOM 555 CB ARG A 686 0.887 8.049 25.858 1.00 31.42 C ATOM 556 CG ARG A 686 1.806 9.171 25.378 1.00 25.45 C ATOM 557 CD ARG A 686 3.192 9.054 25.946 1.00 35.00 C ATOM 558 NE ARG A 686 3.304 9.778 27.200 1.00 45.67 N ATOM 559 CZ ARG A 686 3.697 11.045 27.290 1.00 42.59 C ATOM 560 NH1 ARG A 686 4.020 11.715 26.188 1.00 50.11 N ATOM 561 NH2 ARG A 686 3.760 11.644 28.478 1.00 27.68 N ATOM 562 HE ARG A 686 3.063 9.276 28.079 1.00 0.00 H ATOM 563 HH12 ARG A 686 4.328 12.706 26.254 1.00 0.00 H ATOM 564 HH11 ARG A 686 3.965 11.248 25.260 1.00 0.00 H ATOM 565 HH22 ARG A 686 4.068 12.635 28.545 1.00 0.00 H ATOM 566 HH21 ARG A 686 3.501 11.121 29.339 1.00 0.00 H ATOM 567 H ARG A 686 -1.023 9.729 25.350 1.00 0.00 H ATOM 568 N TYR A 687 -2.360 6.897 25.805 1.00 27.23 N ATOM 569 CA TYR A 687 -3.332 5.852 26.154 1.00 27.88 C ATOM 570 C TYR A 687 -4.321 5.672 25.003 1.00 30.74 C ATOM 571 O TYR A 687 -5.306 6.406 24.904 1.00 34.28 O ATOM 572 CB TYR A 687 -4.071 6.202 27.441 1.00 23.02 C ATOM 573 CG TYR A 687 -3.182 6.253 28.653 1.00 26.89 C ATOM 574 CD1 TYR A 687 -2.198 5.281 28.880 1.00 20.52 C ATOM 575 CD2 TYR A 687 -3.317 7.272 29.573 1.00 18.30 C ATOM 576 CE1 TYR A 687 -1.379 5.357 29.992 1.00 23.11 C ATOM 577 CE2 TYR A 687 -2.512 7.347 30.675 1.00 15.12 C ATOM 578 CZ TYR A 687 -1.556 6.401 30.885 1.00 23.41 C ATOM 579 OH TYR A 687 -0.794 6.543 32.004 1.00 26.15 O ATOM 580 HH TYR A 687 -0.138 5.803 32.051 1.00 0.00 H ATOM 581 H TYR A 687 -2.642 7.894 25.899 1.00 0.00 H ATOM 582 N LEU A 688 -4.065 4.698 24.128 1.00 26.14 N ATOM 583 CA LEU A 688 -4.961 4.403 23.005 1.00 29.70 C ATOM 584 C LEU A 688 -5.856 3.193 23.253 1.00 29.82 C ATOM 585 O LEU A 688 -6.699 2.867 22.412 1.00 31.35 O ATOM 586 CB LEU A 688 -4.158 4.186 21.715 1.00 26.76 C ATOM 587 CG LEU A 688 -3.288 5.374 21.272 1.00 31.90 C ATOM 588 CD1 LEU A 688 -2.538 5.074 19.976 1.00 32.12 C ATOM 589 CD2 LEU A 688 -4.166 6.620 21.113 1.00 26.52 C ATOM 590 H LEU A 688 -3.202 4.130 24.246 1.00 0.00 H ATOM 591 N ASN A 689 -5.698 2.524 24.378 1.00 29.04 N ATOM 592 CA ASN A 689 -6.586 1.442 24.762 1.00 22.16 C ATOM 593 C ASN A 689 -6.782 1.518 26.263 1.00 23.48 C ATOM 594 O ASN A 689 -5.996 2.156 26.972 1.00 29.13 O ATOM 595 CB ASN A 689 -5.982 0.098 24.398 1.00 30.55 C ATOM 596 CG ASN A 689 -4.670 -0.105 25.097 1.00 26.57 C ATOM 597 OD1 ASN A 689 -4.642 -0.493 26.258 1.00 30.53 O ATOM 598 ND2 ASN A 689 -3.572 0.248 24.427 1.00 32.91 N ATOM 599 HD22 ASN A 689 -3.646 0.572 23.441 1.00 0.00 H ATOM 600 HD21 ASN A 689 -2.642 0.200 24.890 1.00 0.00 H ATOM 601 H ASN A 689 -4.913 2.780 25.010 1.00 0.00 H ATOM 602 N PHE A 690 -7.802 0.815 26.764 1.00 25.19 N ATOM 603 CA PHE A 690 -8.110 0.922 28.195 1.00 19.23 C ATOM 604 C PHE A 690 -7.099 0.161 29.045 1.00 29.97 C ATOM 605 O PHE A 690 -6.811 0.556 30.182 1.00 22.20 O ATOM 606 CB PHE A 690 -9.521 0.405 28.449 1.00 15.98 C ATOM 607 CG PHE A 690 -10.069 0.758 29.801 1.00 25.57 C ATOM 608 CD1 PHE A 690 -9.829 -0.050 30.897 1.00 26.68 C ATOM 609 CD2 PHE A 690 -10.863 1.875 29.964 1.00 29.97 C ATOM 610 CE1 PHE A 690 -10.346 0.268 32.154 1.00 29.08 C ATOM 611 CE2 PHE A 690 -11.384 2.199 31.215 1.00 32.27 C ATOM 612 CZ PHE A 690 -11.119 1.390 32.313 1.00 32.71 C ATOM 613 H PHE A 690 -8.370 0.200 26.148 1.00 0.00 H ATOM 614 N ASP A 691 -6.515 -0.904 28.494 1.00 18.70 N ATOM 615 CA ASP A 691 -5.610 -1.734 29.276 1.00 22.21 C ATOM 616 C ASP A 691 -4.379 -0.959 29.748 1.00 19.24 C ATOM 617 O ASP A 691 -3.954 -1.100 30.901 1.00 30.91 O ATOM 618 CB ASP A 691 -5.210 -2.963 28.454 1.00 33.68 C ATOM 619 CG ASP A 691 -6.330 -4.008 28.377 1.00 40.65 C ATOM 620 OD1 ASP A 691 -7.330 -3.868 29.119 1.00 30.96 O ATOM 621 OD2 ASP A 691 -6.204 -4.970 27.583 1.00 37.17 O ATOM 622 H ASP A 691 -6.707 -1.143 27.500 1.00 0.00 H ATOM 623 N ASP A 692 -3.765 -0.165 28.865 1.00 21.88 N ATOM 624 CA ASP A 692 -2.597 0.618 29.279 1.00 21.71 C ATOM 625 C ASP A 692 -2.948 1.624 30.374 1.00 20.97 C ATOM 626 O ASP A 692 -2.142 1.891 31.276 1.00 24.83 O ATOM 627 CB ASP A 692 -1.991 1.335 28.057 1.00 17.03 C ATOM 628 CG ASP A 692 -1.329 0.339 27.057 1.00 26.15 C ATOM 629 OD1 ASP A 692 -1.060 -0.805 27.466 1.00 27.05 O ATOM 630 OD2 ASP A 692 -1.091 0.680 25.872 1.00 27.21 O ATOM 631 H ASP A 692 -4.115 -0.103 27.888 1.00 0.00 H ATOM 632 N PHE A 693 -4.118 2.245 30.277 1.00 18.94 N ATOM 633 CA PHE A 693 -4.556 3.151 31.332 1.00 27.87 C ATOM 634 C PHE A 693 -4.644 2.412 32.671 1.00 20.18 C ATOM 635 O PHE A 693 -3.948 2.735 33.646 1.00 15.08 O ATOM 636 CB PHE A 693 -5.890 3.762 30.895 1.00 26.05 C ATOM 637 CG PHE A 693 -6.492 4.711 31.881 1.00 25.21 C ATOM 638 CD1 PHE A 693 -6.191 6.073 31.839 1.00 17.51 C ATOM 639 CD2 PHE A 693 -7.404 4.250 32.828 1.00 18.03 C ATOM 640 CE1 PHE A 693 -6.771 6.928 32.735 1.00 18.88 C ATOM 641 CE2 PHE A 693 -7.992 5.130 33.737 1.00 21.68 C ATOM 642 CZ PHE A 693 -7.671 6.459 33.689 1.00 18.88 C ATOM 643 H PHE A 693 -4.723 2.085 29.447 1.00 0.00 H ATOM 644 N GLU A 694 -5.426 1.345 32.704 1.00 26.26 N ATOM 645 CA GLU A 694 -5.506 0.529 33.908 1.00 16.81 C ATOM 646 C GLU A 694 -4.132 0.068 34.405 1.00 15.03 C ATOM 647 O GLU A 694 -3.891 0.015 35.613 1.00 19.17 O ATOM 648 CB GLU A 694 -6.411 -0.671 33.623 1.00 18.58 C ATOM 649 CG GLU A 694 -6.538 -1.624 34.775 1.00 19.16 C ATOM 650 CD GLU A 694 -7.582 -2.692 34.482 1.00 43.39 C ATOM 651 OE1 GLU A 694 -8.715 -2.582 34.993 1.00 53.87 O ATOM 652 OE2 GLU A 694 -7.267 -3.626 33.712 1.00 53.11 O ATOM 653 H GLU A 694 -5.986 1.088 31.866 1.00 0.00 H ATOM 654 N GLU A 695 -3.216 -0.289 33.496 1.00 21.72 N ATOM 655 CA GLU A 695 -1.930 -0.802 33.963 1.00 21.11 C ATOM 656 C GLU A 695 -1.162 0.266 34.737 1.00 22.93 C ATOM 657 O GLU A 695 -0.522 -0.026 35.753 1.00 19.33 O ATOM 658 CB GLU A 695 -1.113 -1.302 32.774 1.00 19.90 C ATOM 659 CG GLU A 695 0.053 -2.180 33.131 1.00 36.48 C ATOM 660 CD GLU A 695 0.853 -2.571 31.901 1.00 42.40 C ATOM 661 OE1 GLU A 695 2.046 -2.224 31.833 1.00 50.79 O ATOM 662 OE2 GLU A 695 0.277 -3.196 30.983 1.00 41.99 O ATOM 663 H GLU A 695 -3.416 -0.203 32.479 1.00 0.00 H ATOM 664 N ASP A 696 -1.213 1.510 34.270 1.00 19.01 N ATOM 665 CA ASP A 696 -0.530 2.583 34.991 1.00 18.74 C ATOM 666 C ASP A 696 -1.207 2.839 36.321 1.00 20.29 C ATOM 667 O ASP A 696 -0.535 3.089 37.327 1.00 15.78 O ATOM 668 CB ASP A 696 -0.487 3.870 34.155 1.00 14.87 C ATOM 669 CG ASP A 696 0.697 3.901 33.174 1.00 30.84 C ATOM 670 OD1 ASP A 696 1.497 2.944 33.138 1.00 39.20 O ATOM 671 OD2 ASP A 696 0.816 4.867 32.413 1.00 21.63 O ATOM 672 H ASP A 696 -1.736 1.719 33.396 1.00 0.00 H ATOM 673 N PHE A 697 -2.535 2.777 36.355 1.00 22.78 N ATOM 674 CA PHE A 697 -3.195 2.877 37.650 1.00 22.55 C ATOM 675 C PHE A 697 -2.674 1.822 38.604 1.00 19.43 C ATOM 676 O PHE A 697 -2.271 2.132 39.722 1.00 24.11 O ATOM 677 CB PHE A 697 -4.697 2.718 37.549 1.00 15.75 C ATOM 678 CG PHE A 697 -5.344 2.730 38.896 1.00 15.12 C ATOM 679 CD1 PHE A 697 -5.374 3.912 39.644 1.00 22.02 C ATOM 680 CD2 PHE A 697 -5.840 1.574 39.457 1.00 19.35 C ATOM 681 CE1 PHE A 697 -5.951 3.929 40.910 1.00 22.66 C ATOM 682 CE2 PHE A 697 -6.431 1.588 40.737 1.00 23.73 C ATOM 683 CZ PHE A 697 -6.471 2.766 41.456 1.00 25.75 C ATOM 684 H PHE A 697 -3.087 2.660 35.481 1.00 0.00 H ATOM 685 N ASN A 698 -2.686 0.559 38.173 1.00 23.91 N ATOM 686 CA ASN A 698 -2.230 -0.520 39.040 1.00 23.09 C ATOM 687 C ASN A 698 -0.807 -0.287 39.546 1.00 16.89 C ATOM 688 O ASN A 698 -0.462 -0.732 40.638 1.00 21.59 O ATOM 689 CB ASN A 698 -2.347 -1.853 38.299 1.00 25.07 C ATOM 690 CG ASN A 698 -3.795 -2.305 38.141 1.00 30.32 C ATOM 691 OD1 ASN A 698 -4.652 -1.904 38.904 1.00 29.03 O ATOM 692 ND2 ASN A 698 -4.063 -3.137 37.152 1.00 24.93 N ATOM 693 HD22 ASN A 698 -3.301 -3.457 36.521 1.00 0.00 H ATOM 694 HD21 ASN A 698 -5.036 -3.473 37.004 1.00 0.00 H ATOM 695 H ASN A 698 -3.023 0.344 37.213 1.00 0.00 H ATOM 696 N LEU A 699 0.035 0.402 38.767 1.00 30.06 N ATOM 697 CA LEU A 699 1.395 0.691 39.215 1.00 21.41 C ATOM 698 C LEU A 699 1.402 1.661 40.383 1.00 26.90 C ATOM 699 O LEU A 699 2.237 1.550 41.288 1.00 24.86 O ATOM 700 CB LEU A 699 2.215 1.274 38.061 1.00 31.92 C ATOM 701 CG LEU A 699 3.043 0.381 37.135 1.00 22.90 C ATOM 702 CD1 LEU A 699 3.510 1.233 35.964 1.00 36.95 C ATOM 703 CD2 LEU A 699 4.248 -0.185 37.844 1.00 22.92 C ATOM 704 H LEU A 699 -0.282 0.735 37.834 1.00 0.00 H ATOM 705 N ILE A 700 0.521 2.665 40.361 1.00 14.72 N ATOM 706 CA ILE A 700 0.476 3.565 41.497 1.00 26.04 C ATOM 707 C ILE A 700 0.281 2.757 42.760 1.00 30.15 C ATOM 708 O ILE A 700 0.986 2.945 43.764 1.00 23.33 O ATOM 709 CB ILE A 700 -0.645 4.599 41.311 1.00 21.38 C ATOM 710 CG1 ILE A 700 -0.263 5.593 40.214 1.00 16.05 C ATOM 711 CG2 ILE A 700 -1.007 5.170 42.663 1.00 15.02 C ATOM 712 CD1 ILE A 700 -1.477 6.504 39.712 1.00 16.70 C ATOM 713 H ILE A 700 -0.116 2.798 39.550 1.00 0.00 H ATOM 714 N VAL A 701 -0.626 1.785 42.694 1.00 14.70 N ATOM 715 CA VAL A 701 -0.954 0.980 43.863 1.00 22.82 C ATOM 716 C VAL A 701 0.149 -0.032 44.167 1.00 16.26 C ATOM 717 O VAL A 701 0.614 -0.126 45.301 1.00 17.23 O ATOM 718 CB VAL A 701 -2.306 0.281 43.657 1.00 22.79 C ATOM 719 CG1 VAL A 701 -2.540 -0.652 44.768 1.00 21.01 C ATOM 720 CG2 VAL A 701 -3.424 1.345 43.590 1.00 25.15 C ATOM 721 H VAL A 701 -1.109 1.597 41.792 1.00 0.00 H ATOM 722 N SER A 702 0.603 -0.792 43.166 1.00 27.37 N ATOM 723 CA SER A 702 1.583 -1.829 43.477 1.00 26.77 C ATOM 724 C SER A 702 2.918 -1.236 43.950 1.00 23.83 C ATOM 725 O SER A 702 3.522 -1.756 44.901 1.00 20.87 O ATOM 726 CB SER A 702 1.777 -2.759 42.278 1.00 21.58 C ATOM 727 OG SER A 702 2.271 -2.070 41.137 1.00 27.60 O ATOM 728 HG SER A 702 3.146 -1.660 41.353 1.00 0.00 H ATOM 729 H SER A 702 0.268 -0.649 42.192 1.00 0.00 H ATOM 730 N ASN A 703 3.404 -0.171 43.296 1.00 22.96 N ATOM 731 CA ASN A 703 4.595 0.535 43.773 1.00 18.45 C ATOM 732 C ASN A 703 4.499 0.844 45.249 1.00 22.93 C ATOM 733 O ASN A 703 5.417 0.568 46.029 1.00 25.03 O ATOM 734 CB ASN A 703 4.795 1.885 43.041 1.00 15.04 C ATOM 735 CG ASN A 703 5.249 1.763 41.611 1.00 19.88 C ATOM 736 OD1 ASN A 703 5.456 2.784 40.935 1.00 30.48 O ATOM 737 ND2 ASN A 703 5.371 0.543 41.114 1.00 19.57 N ATOM 738 HD22 ASN A 703 5.188 -0.285 41.716 1.00 0.00 H ATOM 739 HD21 ASN A 703 5.650 0.412 40.121 1.00 0.00 H ATOM 740 H ASN A 703 2.926 0.160 42.434 1.00 0.00 H ATOM 741 N CYS A 704 3.413 1.533 45.624 1.00 24.49 N ATOM 742 CA CYS A 704 3.237 2.007 46.991 1.00 18.01 C ATOM 743 C CYS A 704 3.228 0.862 47.992 1.00 23.97 C ATOM 744 O CYS A 704 3.801 0.979 49.083 1.00 21.17 O ATOM 745 CB CYS A 704 1.946 2.819 47.076 1.00 20.99 C ATOM 746 SG CYS A 704 1.643 3.616 48.670 1.00 31.16 S ATOM 747 H CYS A 704 2.675 1.735 44.920 1.00 0.00 H ATOM 748 N LEU A 705 2.599 -0.263 47.645 1.00 24.37 N ATOM 749 CA LEU A 705 2.606 -1.406 48.569 1.00 17.88 C ATOM 750 C LEU A 705 3.985 -2.056 48.625 1.00 17.49 C ATOM 751 O LEU A 705 4.425 -2.501 49.686 1.00 29.84 O ATOM 752 CB LEU A 705 1.573 -2.458 48.148 1.00 30.17 C ATOM 753 CG LEU A 705 0.085 -2.111 48.201 1.00 28.22 C ATOM 754 CD1 LEU A 705 -0.755 -3.238 47.596 1.00 21.30 C ATOM 755 CD2 LEU A 705 -0.369 -1.808 49.629 1.00 25.46 C ATOM 756 H LEU A 705 2.109 -0.330 46.730 1.00 0.00 H ATOM 757 N LYS A 706 4.673 -2.118 47.488 1.00 17.73 N ATOM 758 CA LYS A 706 6.007 -2.698 47.458 1.00 25.53 C ATOM 759 C LYS A 706 6.989 -1.886 48.308 1.00 25.23 C ATOM 760 O LYS A 706 7.721 -2.443 49.142 1.00 19.63 O ATOM 761 CB LYS A 706 6.483 -2.808 45.999 1.00 17.63 C ATOM 762 CG LYS A 706 7.884 -3.432 45.871 1.00 26.16 C ATOM 763 CD LYS A 706 8.487 -3.312 44.460 1.00 25.78 C ATOM 764 CE LYS A 706 9.861 -3.960 44.442 1.00 28.71 C ATOM 765 NZ LYS A 706 10.363 -4.266 43.079 1.00 27.67 N ATOM 766 HZ1 LYS A 706 9.707 -4.921 42.608 1.00 0.00 H ATOM 767 HZ2 LYS A 706 10.430 -3.385 42.530 1.00 0.00 H ATOM 768 HZ3 LYS A 706 11.303 -4.705 43.148 1.00 0.00 H ATOM 769 H LYS A 706 4.253 -1.748 46.612 1.00 0.00 H ATOM 770 N TYR A 707 7.015 -0.567 48.119 1.00 38.13 N ATOM 771 CA TYR A 707 8.050 0.244 48.767 1.00 30.27 C ATOM 772 C TYR A 707 7.758 0.484 50.242 1.00 22.09 C ATOM 773 O TYR A 707 8.666 0.431 51.081 1.00 22.13 O ATOM 774 CB TYR A 707 8.212 1.598 48.061 1.00 31.55 C ATOM 775 CG TYR A 707 9.247 2.466 48.777 1.00 30.28 C ATOM 776 CD1 TYR A 707 10.601 2.338 48.488 1.00 34.20 C ATOM 777 CD2 TYR A 707 8.873 3.363 49.790 1.00 25.97 C ATOM 778 CE1 TYR A 707 11.570 3.107 49.157 1.00 27.93 C ATOM 779 CE2 TYR A 707 9.832 4.125 50.463 1.00 28.99 C ATOM 780 CZ TYR A 707 11.180 3.990 50.134 1.00 29.68 C ATOM 781 OH TYR A 707 12.136 4.734 50.789 1.00 37.15 O ATOM 782 HH TYR A 707 13.031 4.510 50.429 1.00 0.00 H ATOM 783 H TYR A 707 6.302 -0.114 47.513 1.00 0.00 H ATOM 784 N ASN A 708 6.514 0.796 50.574 1.00 26.36 N ATOM 785 CA ASN A 708 6.152 1.183 51.927 1.00 23.43 C ATOM 786 C ASN A 708 5.893 -0.032 52.813 1.00 33.20 C ATOM 787 O ASN A 708 5.197 -0.966 52.406 1.00 29.84 O ATOM 788 CB ASN A 708 4.918 2.076 51.868 1.00 21.78 C ATOM 789 CG ASN A 708 5.220 3.398 51.205 1.00 22.42 C ATOM 790 OD1 ASN A 708 6.059 4.143 51.686 1.00 23.36 O ATOM 791 ND2 ASN A 708 4.568 3.679 50.091 1.00 22.82 N ATOM 792 HD22 ASN A 708 3.861 3.012 49.720 1.00 0.00 H ATOM 793 HD21 ASN A 708 4.761 4.567 49.585 1.00 0.00 H ATOM 794 H ASN A 708 5.774 0.763 49.844 1.00 0.00 H ATOM 795 N ALA A 709 6.455 -0.005 54.021 1.00 31.30 N ATOM 796 CA ALA A 709 6.127 -0.968 55.063 1.00 38.14 C ATOM 797 C ALA A 709 4.637 -0.960 55.364 1.00 30.39 C ATOM 798 O ALA A 709 3.945 0.043 55.176 1.00 26.67 O ATOM 799 CB ALA A 709 6.890 -0.663 56.350 1.00 30.68 C ATOM 800 H ALA A 709 7.157 0.734 54.228 1.00 0.00 H ATOM 801 N LYS A 710 4.154 -2.101 55.882 1.00 28.19 N ATOM 802 CA LYS A 710 2.715 -2.287 56.053 1.00 36.63 C ATOM 803 C LYS A 710 2.134 -1.307 57.064 1.00 29.47 C ATOM 804 O LYS A 710 1.044 -0.761 56.849 1.00 32.21 O ATOM 805 CB LYS A 710 2.404 -3.723 56.470 1.00 24.84 C ATOM 806 CG LYS A 710 2.849 -4.767 55.469 1.00 35.78 C ATOM 807 CD LYS A 710 2.414 -6.174 55.884 1.00 35.43 C ATOM 808 CE LYS A 710 0.936 -6.403 55.654 1.00 27.09 C ATOM 809 NZ LYS A 710 0.556 -7.804 56.049 1.00 32.57 N ATOM 810 HZ1 LYS A 710 1.098 -8.483 55.477 1.00 0.00 H ATOM 811 HZ2 LYS A 710 0.769 -7.949 57.056 1.00 0.00 H ATOM 812 HZ3 LYS A 710 -0.461 -7.945 55.885 1.00 0.00 H ATOM 813 H LYS A 710 4.809 -2.858 56.164 1.00 0.00 H ATOM 814 N ASP A 711 2.835 -1.068 58.170 1.00 28.94 N ATOM 815 CA ASP A 711 2.355 -0.109 59.167 1.00 39.45 C ATOM 816 C ASP A 711 2.808 1.304 58.794 1.00 38.98 C ATOM 817 O ASP A 711 3.648 1.918 59.451 1.00 48.28 O ATOM 818 CB ASP A 711 2.841 -0.487 60.559 1.00 50.40 C ATOM 819 CG ASP A 711 2.289 0.435 61.630 1.00 62.19 C ATOM 820 OD1 ASP A 711 1.274 1.111 61.354 1.00 63.71 O ATOM 821 OD2 ASP A 711 2.872 0.492 62.733 1.00 65.09 O ATOM 822 H ASP A 711 3.733 -1.568 58.328 1.00 0.00 H ATOM 823 N THR A 712 2.248 1.810 57.697 1.00 39.03 N ATOM 824 CA THR A 712 2.460 3.196 57.295 1.00 34.17 C ATOM 825 C THR A 712 1.167 3.728 56.699 1.00 37.52 C ATOM 826 O THR A 712 0.265 2.961 56.352 1.00 28.87 O ATOM 827 CB THR A 712 3.605 3.369 56.275 1.00 35.54 C ATOM 828 OG1 THR A 712 3.257 2.760 55.031 1.00 32.44 O ATOM 829 CG2 THR A 712 4.917 2.773 56.781 1.00 38.46 C ATOM 830 HG1 THR A 712 3.093 1.794 55.172 1.00 0.00 H ATOM 831 H THR A 712 1.643 1.200 57.111 1.00 0.00 H ATOM 832 N ILE A 713 1.077 5.060 56.593 1.00 35.28 N ATOM 833 CA ILE A 713 -0.128 5.671 56.034 1.00 33.10 C ATOM 834 C ILE A 713 -0.211 5.398 54.543 1.00 26.20 C ATOM 835 O ILE A 713 -1.288 5.107 54.007 1.00 31.02 O ATOM 836 CB ILE A 713 -0.167 7.185 56.329 1.00 45.69 C ATOM 837 CG1 ILE A 713 1.127 7.866 55.865 1.00 52.41 C ATOM 838 CG2 ILE A 713 -0.402 7.440 57.803 1.00 49.03 C ATOM 839 CD1 ILE A 713 1.000 9.370 55.596 1.00 44.20 C ATOM 840 H ILE A 713 1.865 5.661 56.909 1.00 0.00 H ATOM 841 N PHE A 714 0.929 5.472 53.855 1.00 29.24 N ATOM 842 CA PHE A 714 0.978 5.172 52.431 1.00 23.55 C ATOM 843 C PHE A 714 0.454 3.769 52.131 1.00 28.95 C ATOM 844 O PHE A 714 -0.410 3.592 51.262 1.00 27.17 O ATOM 845 CB PHE A 714 2.410 5.330 51.937 1.00 26.53 C ATOM 846 CG PHE A 714 2.945 6.725 52.115 1.00 34.27 C ATOM 847 CD1 PHE A 714 2.168 7.815 51.767 1.00 36.81 C ATOM 848 CD2 PHE A 714 4.188 6.943 52.669 1.00 27.95 C ATOM 849 CE1 PHE A 714 2.639 9.101 51.935 1.00 34.24 C ATOM 850 CE2 PHE A 714 4.661 8.232 52.843 1.00 24.43 C ATOM 851 CZ PHE A 714 3.885 9.302 52.468 1.00 35.80 C ATOM 852 H PHE A 714 1.802 5.750 54.346 1.00 0.00 H ATOM 853 N TYR A 715 0.992 2.760 52.815 1.00 29.10 N ATOM 854 CA TYR A 715 0.592 1.382 52.534 1.00 31.35 C ATOM 855 C TYR A 715 -0.895 1.193 52.770 1.00 24.08 C ATOM 856 O TYR A 715 -1.591 0.601 51.940 1.00 24.19 O ATOM 857 CB TYR A 715 1.401 0.399 53.383 1.00 20.22 C ATOM 858 CG TYR A 715 1.157 -1.085 53.057 1.00 27.52 C ATOM 859 CD1 TYR A 715 0.056 -1.771 53.574 1.00 21.55 C ATOM 860 CD2 TYR A 715 2.042 -1.796 52.248 1.00 24.75 C ATOM 861 CE1 TYR A 715 -0.154 -3.118 53.277 1.00 26.38 C ATOM 862 CE2 TYR A 715 1.846 -3.121 51.961 1.00 26.04 C ATOM 863 CZ TYR A 715 0.749 -3.789 52.478 1.00 30.44 C ATOM 864 OH TYR A 715 0.552 -5.127 52.189 1.00 23.86 O ATOM 865 HH TYR A 715 -0.273 -5.442 52.636 1.00 0.00 H ATOM 866 H TYR A 715 1.700 2.953 53.552 1.00 0.00 H ATOM 867 N ARG A 716 -1.409 1.731 53.883 1.00 20.52 N ATOM 868 CA ARG A 716 -2.840 1.645 54.145 1.00 30.43 C ATOM 869 C ARG A 716 -3.644 2.334 53.049 1.00 26.60 C ATOM 870 O ARG A 716 -4.633 1.780 52.554 1.00 20.91 O ATOM 871 CB ARG A 716 -3.164 2.224 55.529 1.00 28.51 C ATOM 872 CG ARG A 716 -2.588 1.401 56.694 1.00 34.70 C ATOM 873 CD ARG A 716 -3.040 1.919 58.051 1.00 43.24 C ATOM 874 NE ARG A 716 -2.517 3.255 58.329 1.00 55.37 N ATOM 875 CZ ARG A 716 -1.407 3.498 59.018 1.00 58.22 C ATOM 876 NH1 ARG A 716 -0.689 2.498 59.517 1.00 56.64 N ATOM 877 NH2 ARG A 716 -1.013 4.747 59.214 1.00 59.67 N ATOM 878 HE ARG A 716 -3.049 4.070 57.963 1.00 0.00 H ATOM 879 HH12 ARG A 716 0.178 2.698 60.055 1.00 0.00 H ATOM 880 HH11 ARG A 716 -0.994 1.515 59.370 1.00 0.00 H ATOM 881 HH22 ARG A 716 -0.145 4.940 59.753 1.00 0.00 H ATOM 882 HH21 ARG A 716 -1.572 5.535 58.829 1.00 0.00 H ATOM 883 H ARG A 716 -0.785 2.212 54.562 1.00 0.00 H ATOM 884 N ALA A 717 -3.200 3.512 52.608 1.00 27.19 N ATOM 885 CA ALA A 717 -3.920 4.232 51.560 1.00 26.65 C ATOM 886 C ALA A 717 -3.920 3.462 50.248 1.00 25.56 C ATOM 887 O ALA A 717 -4.896 3.506 49.482 1.00 22.03 O ATOM 888 CB ALA A 717 -3.288 5.605 51.355 1.00 27.11 C ATOM 889 H ALA A 717 -2.334 3.921 53.013 1.00 0.00 H ATOM 890 N ALA A 718 -2.827 2.761 49.957 1.00 26.10 N ATOM 891 CA ALA A 718 -2.784 1.961 48.738 1.00 27.80 C ATOM 892 C ALA A 718 -3.751 0.777 48.799 1.00 22.46 C ATOM 893 O ALA A 718 -4.431 0.494 47.811 1.00 22.13 O ATOM 894 CB ALA A 718 -1.364 1.470 48.463 1.00 27.06 C ATOM 895 H ALA A 718 -2.007 2.783 50.596 1.00 0.00 H ATOM 896 N VAL A 719 -3.807 0.063 49.929 1.00 26.50 N ATOM 897 CA VAL A 719 -4.771 -1.036 50.061 1.00 24.69 C ATOM 898 C VAL A 719 -6.168 -0.531 49.733 1.00 22.72 C ATOM 899 O VAL A 719 -6.922 -1.148 48.972 1.00 19.93 O ATOM 900 CB VAL A 719 -4.728 -1.643 51.470 1.00 25.28 C ATOM 901 CG1 VAL A 719 -5.871 -2.683 51.631 1.00 25.48 C ATOM 902 CG2 VAL A 719 -3.386 -2.292 51.759 1.00 31.43 C ATOM 903 H VAL A 719 -3.166 0.287 50.716 1.00 0.00 H ATOM 904 N ARG A 720 -6.522 0.619 50.288 1.00 23.01 N ATOM 905 CA ARG A 720 -7.862 1.149 50.073 1.00 22.29 C ATOM 906 C ARG A 720 -8.047 1.614 48.635 1.00 27.35 C ATOM 907 O ARG A 720 -9.054 1.283 47.988 1.00 27.03 O ATOM 908 CB ARG A 720 -8.129 2.280 51.074 1.00 24.78 C ATOM 909 CG ARG A 720 -9.219 3.226 50.640 1.00 27.30 C ATOM 910 H ARG A 720 -5.844 1.143 50.877 1.00 0.00 H ATOM 911 N LEU A 721 -7.079 2.377 48.104 1.00 32.40 N ATOM 912 CA LEU A 721 -7.176 2.805 46.711 1.00 26.55 C ATOM 913 C LEU A 721 -7.360 1.624 45.771 1.00 23.56 C ATOM 914 O LEU A 721 -8.055 1.748 44.758 1.00 23.00 O ATOM 915 CB LEU A 721 -5.936 3.616 46.292 1.00 22.73 C ATOM 916 CG LEU A 721 -5.962 4.146 44.865 1.00 24.89 C ATOM 917 CD1 LEU A 721 -7.121 5.136 44.708 1.00 32.44 C ATOM 918 CD2 LEU A 721 -4.632 4.801 44.448 1.00 28.12 C ATOM 919 H LEU A 721 -6.263 2.662 48.682 1.00 0.00 H ATOM 920 N ARG A 722 -6.742 0.478 46.072 1.00 17.23 N ATOM 921 CA ARG A 722 -6.892 -0.676 45.176 1.00 25.49 C ATOM 922 C ARG A 722 -8.349 -1.111 45.075 1.00 25.21 C ATOM 923 O ARG A 722 -8.833 -1.473 43.989 1.00 17.17 O ATOM 924 CB ARG A 722 -6.025 -1.843 45.656 1.00 24.41 C ATOM 925 CG ARG A 722 -6.453 -3.229 45.132 1.00 22.26 C ATOM 926 CD ARG A 722 -5.391 -4.322 45.425 1.00 26.60 C ATOM 927 NE ARG A 722 -4.184 -4.111 44.622 1.00 30.38 N ATOM 928 CZ ARG A 722 -3.015 -4.740 44.776 1.00 24.46 C ATOM 929 NH1 ARG A 722 -2.855 -5.673 45.696 1.00 19.38 N ATOM 930 NH2 ARG A 722 -1.994 -4.433 43.979 1.00 26.51 N ATOM 931 HE ARG A 722 -4.242 -3.405 43.860 1.00 0.00 H ATOM 932 HH12 ARG A 722 -1.937 -6.150 45.799 1.00 0.00 H ATOM 933 HH11 ARG A 722 -3.647 -5.931 46.318 1.00 0.00 H ATOM 934 HH22 ARG A 722 -1.081 -4.918 44.093 1.00 0.00 H ATOM 935 HH21 ARG A 722 -2.109 -3.708 43.242 1.00 0.00 H ATOM 936 H ARG A 722 -6.161 0.404 46.931 1.00 0.00 H ATOM 937 N GLU A 723 -9.063 -1.079 46.203 1.00 26.89 N ATOM 938 CA GLU A 723 -10.464 -1.474 46.206 1.00 29.53 C ATOM 939 C GLU A 723 -11.328 -0.404 45.559 1.00 25.27 C ATOM 940 O GLU A 723 -12.154 -0.707 44.691 1.00 23.97 O ATOM 941 CB GLU A 723 -10.927 -1.753 47.638 1.00 31.27 C ATOM 942 CG GLU A 723 -10.134 -2.819 48.304 1.00 35.30 C ATOM 943 CD GLU A 723 -10.164 -4.126 47.521 1.00 45.06 C ATOM 944 OE1 GLU A 723 -11.272 -4.572 47.130 1.00 50.04 O ATOM 945 OE2 GLU A 723 -9.079 -4.701 47.286 1.00 46.42 O ATOM 946 H GLU A 723 -8.614 -0.769 47.088 1.00 0.00 H ATOM 947 N GLN A 724 -11.129 0.859 45.957 1.00 27.74 N ATOM 948 CA GLN A 724 -11.925 1.958 45.415 1.00 26.24 C ATOM 949 C GLN A 724 -11.582 2.226 43.948 1.00 30.01 C ATOM 950 O GLN A 724 -12.476 2.362 43.097 1.00 22.83 O ATOM 951 CB GLN A 724 -11.718 3.219 46.266 1.00 31.59 C ATOM 952 CG GLN A 724 -12.321 3.164 47.657 1.00 31.56 C ATOM 953 CD GLN A 724 -11.994 4.404 48.490 1.00 51.69 C ATOM 954 OE1 GLN A 724 -11.135 5.208 48.129 1.00 54.98 O ATOM 955 NE2 GLN A 724 -12.681 4.556 49.610 1.00 62.02 N ATOM 956 HE22 GLN A 724 -13.399 3.853 49.879 1.00 0.00 H ATOM 957 HE21 GLN A 724 -12.503 5.378 50.221 1.00 0.00 H ATOM 958 H GLN A 724 -10.394 1.061 46.665 1.00 0.00 H ATOM 959 N GLY A 725 -10.288 2.304 43.636 1.00 26.31 N ATOM 960 CA GLY A 725 -9.870 2.367 42.240 1.00 24.90 C ATOM 961 C GLY A 725 -10.384 1.205 41.410 1.00 19.43 C ATOM 962 O GLY A 725 -10.812 1.390 40.272 1.00 25.18 O ATOM 963 H GLY A 725 -9.573 2.320 44.391 1.00 0.00 H ATOM 964 N GLY A 726 -10.335 -0.013 41.959 1.00 35.34 N ATOM 965 CA GLY A 726 -10.896 -1.156 41.251 1.00 29.32 C ATOM 966 C GLY A 726 -12.294 -0.891 40.719 1.00 22.44 C ATOM 967 O GLY A 726 -12.605 -1.187 39.565 1.00 22.00 O ATOM 968 H GLY A 726 -9.896 -0.145 42.893 1.00 0.00 H ATOM 969 N ALA A 727 -13.154 -0.321 41.558 1.00 22.77 N ATOM 970 CA ALA A 727 -14.554 -0.127 41.186 1.00 25.95 C ATOM 971 C ALA A 727 -14.698 0.942 40.123 1.00 27.39 C ATOM 972 O ALA A 727 -15.475 0.795 39.172 1.00 30.59 O ATOM 973 CB ALA A 727 -15.372 0.256 42.423 1.00 29.30 C ATOM 974 H ALA A 727 -12.825 -0.008 42.494 1.00 0.00 H ATOM 975 N VAL A 728 -13.987 2.055 40.298 1.00 21.83 N ATOM 976 CA VAL A 728 -13.957 3.086 39.278 1.00 22.98 C ATOM 977 C VAL A 728 -13.566 2.485 37.934 1.00 27.10 C ATOM 978 O VAL A 728 -14.225 2.706 36.905 1.00 20.54 O ATOM 979 CB VAL A 728 -12.993 4.210 39.706 1.00 23.36 C ATOM 980 CG1 VAL A 728 -12.770 5.160 38.576 1.00 19.71 C ATOM 981 CG2 VAL A 728 -13.538 4.935 40.901 1.00 21.54 C ATOM 982 H VAL A 728 -13.447 2.186 41.177 1.00 0.00 H ATOM 983 N LEU A 729 -12.484 1.713 37.917 1.00 17.06 N ATOM 984 CA LEU A 729 -12.058 1.158 36.639 1.00 16.82 C ATOM 985 C LEU A 729 -13.038 0.113 36.129 1.00 25.38 C ATOM 986 O LEU A 729 -13.168 -0.066 34.920 1.00 24.56 O ATOM 987 CB LEU A 729 -10.666 0.531 36.748 1.00 15.83 C ATOM 988 CG LEU A 729 -9.548 1.584 36.915 1.00 23.30 C ATOM 989 CD1 LEU A 729 -8.229 0.890 37.143 1.00 27.25 C ATOM 990 CD2 LEU A 729 -9.469 2.478 35.689 1.00 33.49 C ATOM 991 H LEU A 729 -11.957 1.511 38.790 1.00 0.00 H ATOM 992 N ARG A 730 -13.738 -0.587 37.016 1.00 17.93 N ATOM 993 CA ARG A 730 -14.686 -1.571 36.504 1.00 17.72 C ATOM 994 C ARG A 730 -15.839 -0.884 35.774 1.00 16.06 C ATOM 995 O ARG A 730 -16.204 -1.276 34.662 1.00 26.41 O ATOM 996 CB ARG A 730 -15.187 -2.463 37.645 1.00 21.74 C ATOM 997 CG ARG A 730 -16.366 -3.379 37.254 1.00 22.82 C ATOM 998 CD ARG A 730 -16.776 -4.303 38.399 1.00 34.93 C ATOM 999 NE ARG A 730 -15.634 -4.647 39.242 1.00 53.79 N ATOM 1000 CZ ARG A 730 -15.563 -4.376 40.540 1.00 64.07 C ATOM 1001 NH1 ARG A 730 -16.583 -3.789 41.151 1.00 67.11 N ATOM 1002 NH2 ARG A 730 -14.478 -4.704 41.230 1.00 67.07 N ATOM 1003 HE ARG A 730 -14.828 -5.133 38.799 1.00 0.00 H ATOM 1004 HH12 ARG A 730 -16.528 -3.577 42.168 1.00 0.00 H ATOM 1005 HH11 ARG A 730 -17.438 -3.541 40.614 1.00 0.00 H ATOM 1006 HH22 ARG A 730 -14.424 -4.491 42.247 1.00 0.00 H ATOM 1007 HH21 ARG A 730 -13.682 -5.174 40.754 1.00 0.00 H ATOM 1008 H ARG A 730 -13.614 -0.439 38.038 1.00 0.00 H ATOM 1009 N GLN A 731 -16.407 0.167 36.370 1.00 22.44 N ATOM 1010 CA GLN A 731 -17.476 0.889 35.688 1.00 30.22 C ATOM 1011 C GLN A 731 -16.975 1.558 34.415 1.00 26.97 C ATOM 1012 O GLN A 731 -17.663 1.550 33.387 1.00 25.29 O ATOM 1013 CB GLN A 731 -18.093 1.930 36.615 1.00 29.78 C ATOM 1014 CG GLN A 731 -19.288 2.622 35.992 1.00 32.67 C ATOM 1015 H GLN A 731 -16.090 0.469 37.313 1.00 0.00 H ATOM 1016 N ALA A 732 -15.793 2.166 34.462 1.00 24.02 N ATOM 1017 CA ALA A 732 -15.303 2.844 33.264 1.00 20.46 C ATOM 1018 C ALA A 732 -15.137 1.858 32.116 1.00 25.96 C ATOM 1019 O ALA A 732 -15.580 2.117 30.993 1.00 28.78 O ATOM 1020 CB ALA A 732 -13.986 3.565 33.559 1.00 24.81 C ATOM 1021 H ALA A 732 -15.228 2.159 35.335 1.00 0.00 H ATOM 1022 N ARG A 733 -14.551 0.688 32.395 1.00 27.65 N ATOM 1023 CA ARG A 733 -14.388 -0.301 31.344 1.00 20.24 C ATOM 1024 C ARG A 733 -15.730 -0.744 30.774 1.00 21.96 C ATOM 1025 O ARG A 733 -15.830 -1.028 29.581 1.00 27.04 O ATOM 1026 CB ARG A 733 -13.619 -1.512 31.869 1.00 34.40 C ATOM 1027 CG ARG A 733 -13.235 -2.472 30.759 1.00 40.21 C ATOM 1028 CD ARG A 733 -12.521 -3.688 31.280 1.00 40.52 C ATOM 1029 NE ARG A 733 -11.125 -3.442 31.630 1.00 37.93 N ATOM 1030 CZ ARG A 733 -10.121 -3.511 30.761 1.00 30.79 C ATOM 1031 NH1 ARG A 733 -10.362 -3.791 29.487 1.00 28.97 N ATOM 1032 NH2 ARG A 733 -8.881 -3.315 31.163 1.00 26.86 N ATOM 1033 HE ARG A 733 -10.903 -3.199 32.616 1.00 0.00 H ATOM 1034 HH12 ARG A 733 -9.576 -3.845 28.809 1.00 0.00 H ATOM 1035 HH11 ARG A 733 -11.337 -3.957 29.167 1.00 0.00 H ATOM 1036 HH22 ARG A 733 -8.098 -3.370 30.480 1.00 0.00 H ATOM 1037 HH21 ARG A 733 -8.685 -3.106 32.163 1.00 0.00 H ATOM 1038 H ARG A 733 -14.214 0.488 33.358 1.00 0.00 H ATOM 1039 N ARG A 734 -16.777 -0.801 31.598 1.00 29.90 N ATOM 1040 CA ARG A 734 -18.089 -1.164 31.067 1.00 34.83 C ATOM 1041 C ARG A 734 -18.582 -0.110 30.082 1.00 30.92 C ATOM 1042 O ARG A 734 -19.195 -0.439 29.058 1.00 31.23 O ATOM 1043 CB ARG A 734 -19.093 -1.347 32.212 1.00 38.38 C ATOM 1044 CG ARG A 734 -19.096 -2.714 32.853 1.00 42.40 C ATOM 1045 CD ARG A 734 -19.872 -2.710 34.167 1.00 39.83 C ATOM 1046 NE ARG A 734 -20.092 -4.069 34.658 1.00 47.42 N ATOM 1047 CZ ARG A 734 -20.181 -4.402 35.944 1.00 43.97 C ATOM 1048 NH1 ARG A 734 -20.389 -5.664 36.288 1.00 49.01 N ATOM 1049 NH2 ARG A 734 -20.060 -3.479 36.888 1.00 53.87 N ATOM 1050 HE ARG A 734 -20.186 -4.829 33.954 1.00 0.00 H ATOM 1051 HH12 ARG A 734 -20.459 -5.924 37.292 1.00 0.00 H ATOM 1052 HH11 ARG A 734 -20.483 -6.394 35.554 1.00 0.00 H ATOM 1053 HH22 ARG A 734 -20.131 -3.748 37.890 1.00 0.00 H ATOM 1054 HH21 ARG A 734 -19.894 -2.486 36.626 1.00 0.00 H ATOM 1055 H ARG A 734 -16.661 -0.589 32.609 1.00 0.00 H ATOM 1056 N GLN A 735 -18.307 1.164 30.368 1.00 30.41 N ATOM 1057 CA GLN A 735 -18.690 2.224 29.444 1.00 33.19 C ATOM 1058 C GLN A 735 -17.928 2.097 28.135 1.00 35.96 C ATOM 1059 O GLN A 735 -18.517 2.217 27.055 1.00 38.06 O ATOM 1060 CB GLN A 735 -18.448 3.602 30.071 1.00 41.68 C ATOM 1061 CG GLN A 735 -19.268 3.903 31.323 1.00 52.87 C ATOM 1062 CD GLN A 735 -20.752 3.619 31.146 1.00 57.02 C ATOM 1063 OE1 GLN A 735 -21.425 4.247 30.330 1.00 61.92 O ATOM 1064 NE2 GLN A 735 -21.267 2.662 31.915 1.00 57.63 N ATOM 1065 HE22 GLN A 735 -20.661 2.156 32.592 1.00 0.00 H ATOM 1066 HE21 GLN A 735 -22.276 2.420 31.839 1.00 0.00 H ATOM 1067 H GLN A 735 -17.817 1.402 31.254 1.00 0.00 H ATOM 1068 N ALA A 736 -16.623 1.836 28.214 1.00 27.28 N ATOM 1069 CA ALA A 736 -15.821 1.658 27.010 1.00 34.41 C ATOM 1070 C ALA A 736 -16.318 0.495 26.163 1.00 43.81 C ATOM 1071 O ALA A 736 -16.175 0.521 24.937 1.00 42.29 O ATOM 1072 CB ALA A 736 -14.356 1.443 27.388 1.00 40.82 C ATOM 1073 H ALA A 736 -16.171 1.758 29.147 1.00 0.00 H ATOM 1074 N GLU A 737 -16.903 -0.526 26.799 1.00 46.57 N ATOM 1075 CA GLU A 737 -17.375 -1.701 26.070 1.00 47.03 C ATOM 1076 C GLU A 737 -18.487 -1.347 25.092 1.00 50.86 C ATOM 1077 O GLU A 737 -18.562 -1.918 23.997 1.00 58.18 O ATOM 1078 CB GLU A 737 -17.869 -2.771 27.048 1.00 50.76 C ATOM 1079 CG GLU A 737 -16.793 -3.463 27.865 1.00 49.01 C ATOM 1080 CD GLU A 737 -15.927 -4.368 27.029 1.00 57.90 C ATOM 1081 OE1 GLU A 737 -14.916 -3.881 26.487 1.00 61.76 O ATOM 1082 OE2 GLU A 737 -16.261 -5.565 26.904 1.00 64.71 O ATOM 1083 H GLU A 737 -17.024 -0.483 27.831 1.00 0.00 H ATOM 1084 N LYS A 738 -19.374 -0.426 25.472 1.00 43.61 N ATOM 1085 CA LYS A 738 -20.474 -0.016 24.606 1.00 51.83 C ATOM 1086 C LYS A 738 -20.100 1.127 23.663 1.00 52.37 C ATOM 1087 O LYS A 738 -20.984 1.879 23.228 1.00 58.34 O ATOM 1088 CB LYS A 738 -21.696 0.357 25.448 1.00 54.54 C ATOM 1089 CG LYS A 738 -21.369 1.063 26.749 1.00 54.79 C ATOM 1090 CD LYS A 738 -22.632 1.439 27.520 1.00 51.70 C ATOM 1091 H LYS A 738 -19.279 0.011 26.411 1.00 0.00 H ATOM 1092 N MET A 739 -18.820 1.276 23.328 1.00 50.64 N ATOM 1093 CA MET A 739 -18.398 2.255 22.329 1.00 54.07 C ATOM 1094 C MET A 739 -18.116 1.578 20.990 1.00 59.33 C ATOM 1095 O MET A 739 -17.372 0.597 20.919 1.00 63.94 O ATOM 1096 CB MET A 739 -17.158 3.025 22.801 1.00 54.95 C ATOM 1097 CG MET A 739 -17.436 4.023 23.924 1.00 55.17 C ATOM 1098 SD MET A 739 -16.024 5.079 24.350 1.00 54.38 S ATOM 1099 CE MET A 739 -16.691 5.972 25.753 1.00 50.48 C ATOM 1100 H MET A 739 -18.103 0.681 23.789 1.00 0.00 H TER 1101 MET A 739 HETATM 1102 O HOH 1 -13.720 -6.424 42.179 1.00 44.66 O HETATM 1103 O HOH 2 -8.646 -5.804 45.531 1.00 47.31 O HETATM 1104 O HOH 3 -9.153 5.773 48.623 1.00 50.26 O HETATM 1105 O HOH 4 -1.224 -2.966 29.452 1.00 31.13 O HETATM 1106 O HOH 5 -10.885 13.405 20.827 1.00 58.99 O HETATM 1107 O HOH 6 14.778 6.583 51.294 1.00 48.73 O HETATM 1108 O HOH 7 -4.235 -5.834 26.938 1.00 45.71 O HETATM 1109 O HOH 8 -12.662 17.582 28.098 1.00 58.38 O HETATM 1110 O HOH 9 -7.103 16.172 45.319 1.00 46.77 O HETATM 1111 O HOH 10 -6.452 16.349 22.612 1.00 52.50 O HETATM 1112 O HOH 11 7.593 6.568 35.693 1.00 35.67 O HETATM 1113 O HOH 12 11.619 15.877 45.613 1.00 41.55 O HETATM 1114 O HOH 13 -20.125 3.974 26.557 1.00 46.60 O HETATM 1115 O HOH 14 -7.243 -3.940 48.728 1.00 27.34 O HETATM 1116 O HOH 15 5.651 9.032 39.241 1.00 24.99 O HETATM 1117 O HOH 16 5.105 5.500 42.349 1.00 25.51 O HETATM 1118 O HOH 17 -12.623 -4.005 27.429 1.00 44.72 O HETATM 1119 O HOH 18 -2.113 18.060 44.298 1.00 37.45 O HETATM 1120 O HOH 19 -1.931 3.363 24.700 1.00 29.60 O HETATM 1121 O HOH 20 15.538 7.300 44.385 1.00 44.12 O HETATM 1122 O HOH 21 1.395 12.692 21.101 1.00 53.93 O HETATM 1123 O HOH 22 9.029 -6.351 42.477 1.00 47.37 O HETATM 1124 O HOH 23 5.164 13.488 35.579 1.00 36.72 O HETATM 1125 O HOH 24 -7.497 -2.258 41.918 1.00 31.34 O HETATM 1126 O HOH 25 -3.509 5.696 55.201 1.00 44.62 O HETATM 1127 O HOH 26 3.297 11.479 48.372 1.00 26.28 O HETATM 1128 O HOH 27 4.802 4.679 46.029 1.00 27.15 O HETATM 1129 O HOH 28 -16.129 4.876 36.660 1.00 48.93 O HETATM 1130 O HOH 29 -4.505 -7.180 47.063 1.00 25.36 O HETATM 1131 O HOH 30 3.063 4.755 31.043 1.00 47.32 O HETATM 1132 O HOH 31 -15.497 -7.137 41.044 1.00 38.85 O HETATM 1133 O HOH 32 -14.433 9.616 42.606 1.00 34.27 O HETATM 1134 O HOH 33 -11.348 -2.846 34.816 1.00 45.10 O HETATM 1135 O HOH 34 4.912 -2.224 41.545 1.00 28.13 O HETATM 1136 O HOH 35 2.809 4.876 44.123 1.00 24.89 O HETATM 1137 O HOH 36 2.130 7.690 43.259 1.00 27.62 O HETATM 1138 O HOH 37 2.458 13.962 49.768 1.00 32.03 O HETATM 1139 O HOH 38 -6.271 0.429 54.215 1.00 35.01 O HETATM 1140 O HOH 39 2.865 9.837 44.661 1.00 21.58 O HETATM 1141 O HOH 40 1.428 13.951 45.387 1.00 23.39 O HETATM 1142 O HOH 41 -15.430 6.870 34.655 1.00 35.94 O HETATM 1143 O HOH 42 0.481 17.062 46.809 1.00 48.76 O HETATM 1144 O HOH 43 -15.711 -3.838 33.880 1.00 35.92 O HETATM 1145 O HOH 44 0.586 -2.406 36.491 1.00 24.09 O HETATM 1146 O HOH 45 -5.170 9.937 50.572 1.00 50.00 O HETATM 1147 O HOH 46 -1.949 -2.834 41.569 1.00 29.00 O HETATM 1148 O HOH 47 -2.593 15.348 39.864 1.00 39.14 O HETATM 1149 O HOH 48 -4.154 9.287 25.605 1.00 37.15 O HETATM 1150 O HOH 49 7.610 -0.178 39.254 1.00 31.70 O HETATM 1151 O HOH 50 0.404 -5.708 44.580 1.00 33.14 O HETATM 1152 O HOH 51 -4.544 -2.191 42.631 1.00 23.82 O HETATM 1153 O HOH 52 -9.511 -0.360 24.863 1.00 33.83 O HETATM 1154 O HOH 53 -3.031 -4.257 34.784 1.00 39.24 O HETATM 1155 O HOH 54 5.064 14.077 29.072 1.00 39.61 O HETATM 1156 O HOH 55 -7.284 14.216 44.742 1.00 56.30 O HETATM 1157 O HOH 56 6.290 1.499 60.404 1.00 45.90 O HETATM 1158 O HOH 57 -2.102 -5.818 52.966 1.00 34.27 O HETATM 1159 O HOH 58 8.101 2.214 54.750 1.00 39.97 O HETATM 1160 O HOH 59 0.894 15.905 28.138 1.00 35.93 O HETATM 1161 O HOH 60 -2.633 18.133 49.531 1.00 40.78 O HETATM 1162 O HOH 61 -8.700 14.244 34.096 1.00 39.14 O HETATM 1163 O HOH 62 -11.557 7.680 49.541 1.00 38.09 O HETATM 1164 O HOH 63 6.227 -4.105 56.326 1.00 32.73 O HETATM 1165 O HOH 64 2.924 -4.617 45.349 1.00 32.05 O HETATM 1166 O HOH 65 6.118 8.278 41.767 1.00 21.47 O HETATM 1167 O HOH 66 13.103 8.692 53.378 1.00 64.93 O HETATM 1168 O HOH 67 9.039 9.278 41.974 1.00 26.52 O HETATM 1169 O HOH 68 8.099 3.109 30.305 1.00 48.50 O HETATM 1170 O HOH 69 1.101 -3.907 39.023 1.00 43.10 O HETATM 1171 O HOH 70 3.997 13.556 45.879 1.00 27.69 O HETATM 1172 O HOH 71 -13.207 1.628 50.450 1.00 46.88 O HETATM 1173 O HOH 72 8.449 9.171 53.365 1.00 44.39 O HETATM 1174 O HOH 73 -9.579 1.817 21.900 1.00 52.08 O HETATM 1175 O HOH 74 -17.697 5.479 38.322 1.00 42.12 O HETATM 1176 O HOH 75 9.147 -2.408 40.645 1.00 23.55 O HETATM 1177 O HOH 76 -11.076 -3.770 38.491 1.00 37.47 O HETATM 1178 O HOH 77 -14.937 -6.070 29.793 1.00 33.87 O HETATM 1179 O HOH 78 1.879 -8.250 58.962 1.00 41.64 O HETATM 1180 O HOH 79 -4.807 18.680 25.345 1.00 49.20 O HETATM 1181 O HOH 80 4.944 7.238 31.716 1.00 42.92 O HETATM 1182 O HOH 81 5.264 -3.056 59.080 1.00 58.11 O HETATM 1183 O HOH 82 14.280 13.653 54.295 1.00 48.49 O HETATM 1184 O HOH 83 -3.256 17.611 41.622 1.00 48.03 O HETATM 1185 O HOH 84 -17.750 4.809 34.953 1.00 48.59 O HETATM 1186 O HOH 85 -11.385 19.380 24.883 1.00 54.70 O HETATM 1187 O HOH 86 11.005 5.794 53.886 1.00 49.75 O HETATM 1188 O HOH 87 -1.141 -4.480 35.839 1.00 47.93 O HETATM 1189 O HOH 88 2.665 -3.635 34.992 1.00 42.91 O HETATM 1190 O HOH 89 -0.204 17.586 25.874 1.00 34.05 O HETATM 1191 O HOH 90 -11.740 -6.360 33.625 1.00 26.31 O HETATM 1192 O HOH 91 -9.521 14.880 19.412 1.00 54.83 O HETATM 1193 O HOH 92 -5.019 17.683 43.038 1.00 39.91 O HETATM 1194 O HOH 93 7.045 7.223 34.004 1.00 32.57 O HETATM 1195 O HOH 94 -11.272 -5.948 50.555 1.00 45.42 O HETATM 1196 O HOH 95 -3.588 16.805 37.357 1.00 49.15 O HETATM 1197 O HOH 96 -20.632 -8.273 33.576 1.00 41.31 O HETATM 1198 O HOH 97 15.553 9.579 53.595 1.00 52.13 O HETATM 1199 O HOH 98 4.012 -4.199 60.023 1.00 50.80 O HETATM 1200 O HOH 99 3.133 -5.168 38.867 1.00 51.26 O HETATM 1201 O HOH 100 -8.762 -4.759 51.214 1.00 27.34 O HETATM 1202 O HOH 101 1.045 16.392 23.667 1.00 37.77 O HETATM 1203 O HOH 102 -9.092 15.643 44.157 1.00 50.25 O HETATM 1204 O HOH 103 -5.036 -5.497 49.136 1.00 29.30 O HETATM 1205 O HOH 104 4.699 -5.418 43.434 1.00 38.43 O HETATM 1206 O HOH 105 -13.550 8.565 49.130 1.00 37.01 O HETATM 1207 O HOH 106 17.466 6.788 52.016 1.00 49.85 O HETATM 1208 O HOH 107 -12.436 17.218 22.938 1.00 50.82 O HETATM 1209 O HOH 108 7.928 9.641 37.604 1.00 39.30 O HETATM 1210 O HOH 109 -10.167 -2.024 51.694 1.00 34.74 O HETATM 1211 O HOH 110 6.492 -6.515 48.180 1.00 29.14 O HETATM 1212 O HOH 111 -0.955 19.548 47.450 1.00 39.26 O HETATM 1213 O HOH 112 9.009 6.863 53.646 1.00 56.80 O HETATM 1214 O HOH 113 -11.688 -0.588 51.006 1.00 53.12 O HETATM 1215 O HOH 114 6.982 -2.149 36.825 1.00 27.62 O HETATM 1216 O HOH 115 6.424 15.358 36.839 1.00 49.11 O HETATM 1217 O HOH 116 -2.918 -4.352 55.406 1.00 40.14 O HETATM 1218 O HOH 117 7.425 -1.323 59.916 1.00 41.65 O HETATM 1219 O HOH 118 6.052 6.790 56.162 1.00 48.89 O HETATM 1220 O HOH 119 9.814 9.820 39.229 1.00 28.68 O HETATM 1221 O HOH 120 6.704 8.774 55.935 1.00 44.92 O HETATM 1222 CAA B A 0 2.589 7.133 47.382 1.00 0.03 C HETATM 1223 CAQ B A 0 3.907 7.466 48.097 1.00 0.18 C HETATM 1224 NAK B A 0 4.933 6.634 48.227 1.00 -0.30 N HETATM 1225 CAS B A 0 5.856 7.290 48.924 1.00 0.02 C HETATM 1226 CAB B A 0 7.196 6.670 49.260 1.00 -0.03 C HETATM 1227 H4 B A 0 7.242 5.651 48.848 1.00 0.04 H HETATM 1228 H5 B A 0 7.318 6.630 50.352 1.00 0.04 H HETATM 1229 H6 B A 0 8.002 7.279 48.823 1.00 0.04 H HETATM 1230 CAU B A 0 5.404 8.518 49.243 1.00 0.20 C HETATM 1231 CAP B A 0 6.005 9.530 49.903 1.00 0.26 C HETATM 1232 NAM B A 0 5.430 10.736 49.669 1.00 -0.20 N HETATM 1233 CAT B A 0 5.908 11.854 50.208 1.00 0.20 C HETATM 1234 NAL B A 0 5.390 13.056 49.919 1.00 -0.31 N HETATM 1235 CAR B A 0 6.023 14.069 50.541 1.00 0.01 C HETATM 1236 CAF B A 0 7.057 13.722 51.328 1.00 -0.01 C HETATM 1237 SAO B A 0 7.227 12.061 51.267 1.00 -0.00 S HETATM 1238 H13 B A 0 7.677 14.406 51.906 1.00 0.04 H HETATM 1239 CAH B A 0 5.588 15.547 50.343 1.00 -0.00 C HETATM 1240 NAX B A 0 4.199 15.755 50.765 1.00 0.25 N HETATM 1241 CAI B A 0 4.095 15.495 52.217 1.00 -0.03 C HETATM 1242 CAV B A 0 2.669 15.736 52.734 1.00 -0.00 C HETATM 1243 CAC B A 0 2.611 15.518 54.241 1.00 -0.06 C HETATM 1244 H7 B A 0 1.585 15.694 54.598 1.00 0.02 H HETATM 1245 H8 B A 0 3.297 16.218 54.739 1.00 0.02 H HETATM 1246 H9 B A 0 2.908 14.485 54.474 1.00 0.02 H HETATM 1247 CAG B A 0 2.266 17.170 52.409 1.00 -0.04 C HETATM 1248 CAW B A 0 2.378 17.424 50.903 1.00 -0.00 C HETATM 1249 CAD B A 0 2.043 18.887 50.610 1.00 -0.06 C HETATM 1250 H10 B A 0 1.015 19.101 50.939 1.00 0.02 H HETATM 1251 H11 B A 0 2.128 19.073 49.529 1.00 0.02 H HETATM 1252 H12 B A 0 2.744 19.539 51.151 1.00 0.02 H HETATM 1253 CAJ B A 0 3.803 17.136 50.444 1.00 -0.03 C HETATM 1254 H20 B A 0 4.489 17.832 50.948 1.00 0.08 H HETATM 1255 H21 B A 0 3.866 17.283 49.356 1.00 0.08 H HETATM 1256 H23 B A 0 1.677 16.769 50.365 1.00 0.04 H HETATM 1257 H14 B A 0 2.930 17.864 52.945 1.00 0.03 H HETATM 1258 H15 B A 0 1.227 17.337 52.729 1.00 0.03 H HETATM 1259 H22 B A 0 1.978 15.038 52.239 1.00 0.04 H HETATM 1260 H18 B A 0 4.374 14.449 52.413 1.00 0.08 H HETATM 1261 H19 B A 0 4.786 16.165 52.750 1.00 0.08 H HETATM 1262 H25 B A 0 3.597 15.115 50.271 1.00 0.20 H HETATM 1263 H16 B A 0 5.682 15.809 49.279 1.00 0.09 H HETATM 1264 H17 B A 0 6.245 16.197 50.940 1.00 0.09 H HETATM 1265 H24 B A 0 4.626 10.786 49.076 1.00 0.24 H HETATM 1266 OAE B A 0 6.971 9.361 50.642 1.00 -0.38 O HETATM 1267 OAN B A 0 4.159 8.637 48.720 1.00 -0.22 O HETATM 1268 H1 B A 0 2.646 6.118 46.961 1.00 0.05 H HETATM 1269 H2 B A 0 2.418 7.857 46.572 1.00 0.05 H HETATM 1270 H3 B A 0 1.758 7.185 48.101 1.00 0.05 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1222 1223 1268 1269 1270 CONECT 1223 1222 1224 1267 CONECT 1224 1223 1225 CONECT 1225 1224 1226 1230 CONECT 1226 1225 1227 1228 1229 CONECT 1227 1226 CONECT 1228 1226 CONECT 1229 1226 CONECT 1230 1225 1231 1267 CONECT 1231 1230 1232 1266 CONECT 1232 1231 1233 1265 CONECT 1233 1232 1234 1237 CONECT 1234 1233 1235 CONECT 1235 1234 1236 1239 CONECT 1236 1235 1237 1238 CONECT 1237 1233 1236 CONECT 1238 1236 CONECT 1239 1235 1240 1263 1264 CONECT 1240 1239 1241 1253 1262 CONECT 1241 1240 1242 1260 1261 CONECT 1242 1241 1243 1247 1259 CONECT 1243 1242 1244 1245 1246 CONECT 1244 1243 CONECT 1245 1243 CONECT 1246 1243 CONECT 1247 1242 1248 1257 1258 CONECT 1248 1247 1249 1253 1256 CONECT 1249 1248 1250 1251 1252 CONECT 1250 1249 CONECT 1251 1249 CONECT 1252 1249 CONECT 1253 1240 1248 1254 1255 CONECT 1254 1253 CONECT 1255 1253 CONECT 1256 1248 CONECT 1257 1247 CONECT 1258 1247 CONECT 1259 1242 CONECT 1260 1241 CONECT 1261 1241 CONECT 1262 1240 CONECT 1263 1239 CONECT 1264 1239 CONECT 1265 1232 CONECT 1266 1231 CONECT 1267 1223 1230 CONECT 1268 1222 CONECT 1269 1222 CONECT 1270 1222 MASTER 0 0 0 0 0 0 0 0 1269 1 53 9 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 5owa
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4uye
RCSB PDB
PDBbind
118aa, >4UYE_1|Chains... *
5c7n
RCSB PDB
PDBbind
116aa, >5C7N_1|Chain... at 97%
5c85
RCSB PDB
PDBbind
116aa, >5C85_1|Chain... at 97%
5c87
RCSB PDB
PDBbind
116aa, >5C87_1|Chain... at 97%
5d7x
RCSB PDB
PDBbind
116aa, >5D7X_1|Chain... at 97%
5dy7
RCSB PDB
PDBbind
116aa, >5DY7_1|Chain... at 97%
5dya
RCSB PDB
PDBbind
116aa, >5DYA_1|Chain... at 97%
5e3d
RCSB PDB
PDBbind
116aa, >5E3D_1|Chain... at 97%
5e3g
RCSB PDB
PDBbind
116aa, >5E3G_1|Chain... at 97%
5em3
RCSB PDB
PDBbind
116aa, >5EM3_1|Chain... at 97%
5epr
RCSB PDB
PDBbind
116aa, >5EPR_1|Chain... at 97%
5eps
RCSB PDB
PDBbind
116aa, >5EPS_1|Chain... at 97%
5eq1
RCSB PDB
PDBbind
116aa, >5EQ1_1|Chain... at 97%
5etb
RCSB PDB
PDBbind
116aa, >5ETB_1|Chain... at 97%
5eva
RCSB PDB
PDBbind
116aa, >5EVA_1|Chain... at 97%
5ewd
RCSB PDB
PDBbind
116aa, >5EWD_1|Chain... at 97%
5ewh
RCSB PDB
PDBbind
116aa, >5EWH_1|Chain... at 97%
5mwg
RCSB PDB
PDBbind
116aa, >5MWG_1|Chains... at 97%
5mwh
RCSB PDB
PDBbind
116aa, >5MWH_1|Chains... at 97%
5mwz
RCSB PDB
PDBbind
116aa, >5MWZ_1|Chain... at 97%
5myg
RCSB PDB
PDBbind
116aa, >5MYG_1|Chains... at 97%
5o4s
RCSB PDB
PDBbind
116aa, >5O4S_1|Chains... at 97%
5o4t
RCSB PDB
PDBbind
116aa, >5O4T_1|Chain... at 97%
5o55
RCSB PDB
PDBbind
116aa, >5O55_1|Chain... at 97%
5o5a
RCSB PDB
PDBbind
116aa, >5O5A_1|Chain... at 97%
5o5f
RCSB PDB
PDBbind
116aa, >5O5F_1|Chain... at 97%
5o5h
RCSB PDB
PDBbind
116aa, >5O5H_1|Chain... at 97%
5ov8
RCSB PDB
PDBbind
116aa, >5OV8_1|Chains... at 97%
5t4u
RCSB PDB
PDBbind
116aa, >5T4U_1|Chain... at 97%
5t4v
RCSB PDB
PDBbind
116aa, >5T4V_1|Chain... at 97%
6ekq
RCSB PDB
PDBbind
116aa, >6EKQ_1|Chains... at 97%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5owa
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Peregrin
Ligand Name
B0H
EC.Number
E.C.-.-.-.-
Resolution
1.95(Å)
Affinity (Kd/Ki/IC50)
Kd=3.5uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Eur J Med Chem Vol. 155: pp. 337-352
Ligand Properties
Formula
C
1
7
H
2
5
N
4
O
2
S
Molecular Weight
349.471
Exact Mass
349.170
No. of atoms
49
No. of bonds
51
Polar Surface Area
100.7
LOGP Value
3.26 (
Computed with XLOGP3
)
3.70 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 3
Canonical SMILES
C[C@@H]1C[N@@H+](C[C@@H](C1)C)Cc1csc(n1)NC(=O)c1oc(nc1C)C
InChI String
InChI=1S/C17H24N4O2S/c1-10-5-11(2)7-21(6-10)8-14-9-24-17(19-14)20-16(22)15-12(3)18-13(4)23-15/h9-11H,5-8H2,1-4H3,(H,19,20,22)/p+1/t10-,11+
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):
P55201
Entrez Gene ID
NCBI Entrez Gene ID:
7862
ASD
Information of known allosteric effects of PDB entries
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