Browse entries in the PDBbind-CN Database
HEADER 5V7W_COMPLEX COMPND 5V7W_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 86 GLN GLN ASN PHE CYS VAL VAL GLU LEU LEU PRO SER ASP SEQRES 2 A 86 PRO GLU TYR ASN THR VAL ALA SER LYS PHE ASN GLN THR SEQRES 3 A 86 CYS SER HIS PHE ARG ILE GLU LYS ILE GLU ARG ILE GLN SEQRES 4 A 86 ASN PRO ASP LEU TRP ASN SER TYR GLN ALA LYS LYS LYS SEQRES 5 A 86 THR MET ASP ALA LYS ASN GLY GLN THR MET ASN GLU LYS SEQRES 6 A 86 GLN LEU PHE HIS GLY THR ASP ALA GLY SER VAL PRO HIS SEQRES 7 A 86 VAL ASN ARG ASN GLY PHE ASN ARG SEQRES 1 A 39 GLY THR TYR PHE ALA VAL ASN ALA ASN TYR SER ALA ASN SEQRES 2 A 39 ASP THR TYR SER ARG PRO ASP ALA ASN GLY ARG LYS HIS SEQRES 3 A 39 VAL TYR TYR VAL ARG VAL LEU THR GLY ILE TYR THR HIS SEQRES 1 A 44 PRO PRO SER LYS ASN PRO GLN ASN PRO THR ASP LEU TYR SEQRES 2 A 44 ASP THR VAL THR ASP ASN VAL HIS HIS PRO SER LEU PHE SEQRES 3 A 44 VAL ALA PHE TYR ASP TYR GLN ALA TYR PRO GLU TYR LEU SEQRES 4 A 44 ILE THR PHE ARG LYS HET UNN A 234 49 ATOM 1 N GLN A1614 -16.231 32.268 33.160 1.00 70.00 N ATOM 2 CA GLN A1614 -15.867 30.861 32.803 1.00 69.92 C ATOM 3 C GLN A1614 -16.939 30.182 31.919 1.00 65.62 C ATOM 4 O GLN A1614 -18.133 30.473 32.031 1.00 67.57 O ATOM 5 CB GLN A1614 -15.552 30.070 34.082 1.00 73.47 C ATOM 6 CG GLN A1614 -15.141 28.617 33.896 1.00 73.89 C ATOM 7 CD GLN A1614 -16.258 27.653 34.242 1.00 76.09 C ATOM 8 OE1 GLN A1614 -17.441 27.994 34.151 1.00 78.00 O ATOM 9 NE2 GLN A1614 -15.890 26.445 34.660 1.00 75.08 N ATOM 10 HE22 GLN A1614 -14.881 26.201 34.721 1.00 0.00 H ATOM 11 HE21 GLN A1614 -16.611 25.745 34.926 1.00 0.00 H ATOM 12 HN3 GLN A1614 -17.129 32.270 33.684 1.00 0.00 H ATOM 13 HN2 GLN A1614 -16.334 32.829 32.291 1.00 0.00 H ATOM 14 HN1 GLN A1614 -15.482 32.679 33.752 1.00 0.00 H ATOM 15 N GLN A1615 -16.485 29.282 31.044 1.00 61.55 N ATOM 16 CA GLN A1615 -17.289 28.707 29.946 1.00 57.42 C ATOM 17 C GLN A1615 -17.626 29.742 28.856 1.00 52.74 C ATOM 18 O GLN A1615 -18.643 29.634 28.162 1.00 52.70 O ATOM 19 CB GLN A1615 -18.533 27.953 30.455 1.00 59.43 C ATOM 20 CG GLN A1615 -18.198 26.751 31.338 1.00 62.27 C ATOM 21 CD GLN A1615 -19.002 25.492 31.021 1.00 61.26 C ATOM 22 OE1 GLN A1615 -20.071 25.547 30.406 1.00 61.27 O ATOM 23 NE2 GLN A1615 -18.484 24.342 31.449 1.00 60.70 N ATOM 24 HE22 GLN A1615 -17.580 24.338 31.964 1.00 0.00 H ATOM 25 HE21 GLN A1615 -18.983 23.448 31.268 1.00 0.00 H ATOM 26 H GLN A1615 -15.500 28.964 31.142 1.00 0.00 H ATOM 27 N ASN A1616 -16.749 30.739 28.718 1.00 49.08 N ATOM 28 CA ASN A1616 -16.836 31.759 27.673 1.00 45.04 C ATOM 29 C ASN A1616 -16.666 31.144 26.290 1.00 42.06 C ATOM 30 O ASN A1616 -16.127 30.047 26.157 1.00 41.86 O ATOM 31 CB ASN A1616 -15.763 32.833 27.880 1.00 45.02 C ATOM 32 CG ASN A1616 -15.871 33.530 29.227 1.00 46.27 C ATOM 33 OD1 ASN A1616 -16.961 33.699 29.779 1.00 46.64 O ATOM 34 ND2 ASN A1616 -14.731 33.955 29.755 1.00 47.17 N ATOM 35 HD22 ASN A1616 -13.834 33.791 29.255 1.00 0.00 H ATOM 36 HD21 ASN A1616 -14.734 34.452 30.669 1.00 0.00 H ATOM 37 H ASN A1616 -15.959 30.794 29.392 1.00 0.00 H ATOM 38 N PHE A1617 -17.114 31.852 25.260 1.00 39.53 N ATOM 39 CA PHE A1617 -17.087 31.308 23.913 1.00 36.97 C ATOM 40 C PHE A1617 -16.848 32.373 22.850 1.00 36.56 C ATOM 41 O PHE A1617 -16.961 33.568 23.121 1.00 37.46 O ATOM 42 CB PHE A1617 -18.386 30.552 23.626 1.00 36.05 C ATOM 43 CG PHE A1617 -19.608 31.424 23.628 1.00 37.00 C ATOM 44 CD1 PHE A1617 -20.059 32.020 22.447 1.00 36.77 C ATOM 45 CD2 PHE A1617 -20.311 31.657 24.806 1.00 38.34 C ATOM 46 CE1 PHE A1617 -21.185 32.836 22.447 1.00 37.31 C ATOM 47 CE2 PHE A1617 -21.437 32.468 24.813 1.00 39.52 C ATOM 48 CZ PHE A1617 -21.875 33.058 23.634 1.00 38.82 C ATOM 49 H PHE A1617 -17.489 32.809 25.420 1.00 0.00 H ATOM 50 N CYS A1618 -16.508 31.916 21.645 1.00 35.24 N ATOM 51 CA CYS A1618 -16.336 32.765 20.469 1.00 34.75 C ATOM 52 C CYS A1618 -17.138 32.147 19.351 1.00 32.89 C ATOM 53 O CYS A1618 -17.309 30.931 19.307 1.00 31.63 O ATOM 54 CB CYS A1618 -14.864 32.854 20.059 1.00 35.65 C ATOM 55 SG CYS A1618 -13.768 33.481 21.360 1.00 39.05 S ATOM 56 H CYS A1618 -16.356 30.893 21.535 1.00 0.00 H ATOM 57 N VAL A1619 -17.650 32.983 18.455 1.00 33.46 N ATOM 58 CA VAL A1619 -18.469 32.498 17.346 1.00 33.36 C ATOM 59 C VAL A1619 -17.790 32.852 16.028 1.00 34.16 C ATOM 60 O VAL A1619 -17.674 34.029 15.672 1.00 36.04 O ATOM 61 CB VAL A1619 -19.909 33.065 17.391 1.00 33.32 C ATOM 62 CG1 VAL A1619 -20.774 32.401 16.334 1.00 33.32 C ATOM 63 CG2 VAL A1619 -20.537 32.861 18.761 1.00 33.06 C ATOM 64 H VAL A1619 -17.465 34.002 18.544 1.00 0.00 H ATOM 65 N VAL A1620 -17.331 31.829 15.313 1.00 33.83 N ATOM 66 CA VAL A1620 -16.562 32.038 14.084 1.00 34.22 C ATOM 67 C VAL A1620 -17.419 31.664 12.881 1.00 33.83 C ATOM 68 O VAL A1620 -17.868 30.528 12.762 1.00 33.16 O ATOM 69 CB VAL A1620 -15.238 31.227 14.089 1.00 34.33 C ATOM 70 CG1 VAL A1620 -14.416 31.523 12.840 1.00 34.71 C ATOM 71 CG2 VAL A1620 -14.416 31.526 15.341 1.00 34.46 C ATOM 72 H VAL A1620 -17.522 30.858 15.634 1.00 0.00 H ATOM 73 N GLU A1621 -17.665 32.626 12.001 1.00 35.06 N ATOM 74 CA GLU A1621 -18.450 32.355 10.802 1.00 36.51 C ATOM 75 C GLU A1621 -17.563 31.667 9.773 1.00 37.00 C ATOM 76 O GLU A1621 -16.398 32.037 9.594 1.00 39.08 O ATOM 77 CB GLU A1621 -19.060 33.636 10.228 1.00 38.06 C ATOM 78 CG GLU A1621 -20.341 33.387 9.445 1.00 40.75 C ATOM 79 CD GLU A1621 -20.771 34.571 8.588 1.00 45.59 C ATOM 80 OE1 GLU A1621 -20.686 35.732 9.071 1.00 49.17 O ATOM 81 OE2 GLU A1621 -21.208 34.335 7.429 1.00 47.34 O ATOM 82 H GLU A1621 -17.294 33.583 12.168 1.00 0.00 H ATOM 83 N LEU A1622 -18.110 30.652 9.114 1.00 36.74 N ATOM 84 CA LEU A1622 -17.370 29.920 8.097 1.00 37.33 C ATOM 85 C LEU A1622 -17.696 30.447 6.706 1.00 38.49 C ATOM 86 O LEU A1622 -18.855 30.722 6.394 1.00 39.26 O ATOM 87 CB LEU A1622 -17.687 28.428 8.172 1.00 36.01 C ATOM 88 CG LEU A1622 -17.508 27.702 9.505 1.00 34.73 C ATOM 89 CD1 LEU A1622 -18.028 26.285 9.376 1.00 33.88 C ATOM 90 CD2 LEU A1622 -16.056 27.708 9.952 1.00 34.49 C ATOM 91 H LEU A1622 -19.089 30.374 9.329 1.00 0.00 H ATOM 92 N LEU A1623 -16.661 30.598 5.884 1.00 39.80 N ATOM 93 CA LEU A1623 -16.824 30.952 4.482 1.00 41.37 C ATOM 94 C LEU A1623 -17.384 29.758 3.714 1.00 41.06 C ATOM 95 O LEU A1623 -16.893 28.644 3.862 1.00 40.80 O ATOM 96 CB LEU A1623 -15.472 31.347 3.888 1.00 43.09 C ATOM 97 CG LEU A1623 -15.091 32.814 3.682 1.00 44.11 C ATOM 98 CD1 LEU A1623 -15.949 33.750 4.522 1.00 44.15 C ATOM 99 CD2 LEU A1623 -13.602 33.009 3.951 1.00 43.42 C ATOM 100 H LEU A1623 -15.700 30.458 6.257 1.00 0.00 H ATOM 101 N PRO A1624 -18.419 29.985 2.891 1.00 42.97 N ATOM 102 CA PRO A1624 -18.933 28.930 2.011 1.00 42.92 C ATOM 103 C PRO A1624 -17.853 28.295 1.125 1.00 43.46 C ATOM 104 O PRO A1624 -18.038 27.184 0.637 1.00 43.61 O ATOM 105 CB PRO A1624 -19.964 29.667 1.164 1.00 44.34 C ATOM 106 CG PRO A1624 -20.472 30.729 2.086 1.00 44.50 C ATOM 107 CD PRO A1624 -19.264 31.193 2.849 1.00 43.74 C ATOM 108 N SER A1625 -16.737 28.997 0.937 1.00 44.23 N ATOM 109 CA SER A1625 -15.582 28.483 0.189 1.00 45.16 C ATOM 110 C SER A1625 -14.622 27.625 1.040 1.00 44.53 C ATOM 111 O SER A1625 -13.611 27.130 0.532 1.00 46.07 O ATOM 112 CB SER A1625 -14.818 29.648 -0.441 1.00 46.98 C ATOM 113 OG SER A1625 -14.537 30.653 0.524 1.00 44.50 O ATOM 114 HG SER A1625 -13.986 30.267 1.250 1.00 0.00 H ATOM 115 H SER A1625 -16.681 29.955 1.339 1.00 0.00 H ATOM 116 N ASP A1626 -14.941 27.465 2.326 1.00 43.34 N ATOM 117 CA ASP A1626 -14.134 26.689 3.272 1.00 44.51 C ATOM 118 C ASP A1626 -14.562 25.219 3.226 1.00 41.71 C ATOM 119 O ASP A1626 -15.762 24.926 3.257 1.00 40.09 O ATOM 120 CB ASP A1626 -14.324 27.268 4.693 1.00 48.47 C ATOM 121 CG ASP A1626 -13.381 26.655 5.758 1.00 53.33 C ATOM 122 OD1 ASP A1626 -12.786 25.565 5.563 1.00 57.09 O ATOM 123 OD2 ASP A1626 -13.255 27.284 6.835 1.00 55.57 O ATOM 124 H ASP A1626 -15.810 27.916 2.676 1.00 0.00 H ATOM 125 N PRO A1627 -13.585 24.289 3.138 1.00 41.68 N ATOM 126 CA PRO A1627 -13.844 22.849 3.259 1.00 41.89 C ATOM 127 C PRO A1627 -14.713 22.480 4.467 1.00 40.08 C ATOM 128 O PRO A1627 -15.568 21.595 4.373 1.00 40.08 O ATOM 129 CB PRO A1627 -12.436 22.242 3.418 1.00 41.90 C ATOM 130 CG PRO A1627 -11.464 23.375 3.318 1.00 42.91 C ATOM 131 CD PRO A1627 -12.195 24.539 2.723 1.00 43.24 C ATOM 132 N GLU A1628 -14.494 23.163 5.586 1.00 39.55 N ATOM 133 CA GLU A1628 -15.227 22.889 6.812 1.00 38.72 C ATOM 134 C GLU A1628 -16.707 23.241 6.663 1.00 38.58 C ATOM 135 O GLU A1628 -17.568 22.512 7.154 1.00 40.78 O ATOM 136 CB GLU A1628 -14.595 23.631 7.986 1.00 39.31 C ATOM 137 CG GLU A1628 -15.015 23.085 9.338 1.00 39.90 C ATOM 138 CD GLU A1628 -14.453 23.879 10.506 1.00 41.77 C ATOM 139 OE1 GLU A1628 -13.676 24.834 10.272 1.00 45.00 O ATOM 140 OE2 GLU A1628 -14.788 23.544 11.665 1.00 41.12 O ATOM 141 H GLU A1628 -13.777 23.916 5.585 1.00 0.00 H ATOM 142 N TYR A1629 -16.998 24.349 5.981 1.00 37.40 N ATOM 143 CA TYR A1629 -18.375 24.713 5.643 1.00 36.02 C ATOM 144 C TYR A1629 -18.988 23.672 4.710 1.00 35.74 C ATOM 145 O TYR A1629 -20.127 23.252 4.912 1.00 36.12 O ATOM 146 CB TYR A1629 -18.418 26.099 4.991 1.00 36.61 C ATOM 147 CG TYR A1629 -19.793 26.578 4.552 1.00 37.06 C ATOM 148 CD1 TYR A1629 -20.388 27.693 5.149 1.00 37.45 C ATOM 149 CD2 TYR A1629 -20.484 25.941 3.522 1.00 37.52 C ATOM 150 CE1 TYR A1629 -21.637 28.148 4.741 1.00 37.47 C ATOM 151 CE2 TYR A1629 -21.734 26.379 3.118 1.00 37.84 C ATOM 152 CZ TYR A1629 -22.304 27.482 3.726 1.00 37.57 C ATOM 153 OH TYR A1629 -23.543 27.911 3.311 1.00 38.70 O ATOM 154 HH TYR A1629 -23.810 28.704 3.840 1.00 0.00 H ATOM 155 H TYR A1629 -16.223 24.974 5.680 1.00 0.00 H ATOM 156 N ASN A1630 -18.228 23.256 3.697 1.00 35.88 N ATOM 157 CA ASN A1630 -18.700 22.271 2.717 1.00 36.68 C ATOM 158 C ASN A1630 -19.105 20.957 3.366 1.00 35.80 C ATOM 159 O ASN A1630 -20.127 20.366 3.011 1.00 37.23 O ATOM 160 CB ASN A1630 -17.632 21.992 1.655 1.00 37.92 C ATOM 161 CG ASN A1630 -17.184 23.242 0.918 1.00 38.73 C ATOM 162 OD1 ASN A1630 -17.983 24.130 0.612 1.00 39.50 O ATOM 163 ND2 ASN A1630 -15.898 23.306 0.612 1.00 39.45 N ATOM 164 HD22 ASN A1630 -15.258 22.534 0.890 1.00 0.00 H ATOM 165 HD21 ASN A1630 -15.527 24.128 0.094 1.00 0.00 H ATOM 166 H ASN A1630 -17.268 23.643 3.598 1.00 0.00 H ATOM 167 N THR A1631 -18.287 20.512 4.318 1.00 34.36 N ATOM 168 CA THR A1631 -18.516 19.275 5.044 1.00 34.16 C ATOM 169 C THR A1631 -19.849 19.338 5.780 1.00 33.62 C ATOM 170 O THR A1631 -20.694 18.446 5.622 1.00 34.92 O ATOM 171 CB THR A1631 -17.378 19.017 6.044 1.00 33.47 C ATOM 172 OG1 THR A1631 -16.117 19.129 5.366 1.00 34.56 O ATOM 173 CG2 THR A1631 -17.507 17.636 6.673 1.00 32.91 C ATOM 174 HG1 THR A1631 -16.027 20.039 4.988 1.00 0.00 H ATOM 175 H THR A1631 -17.445 21.076 4.552 1.00 0.00 H ATOM 176 N VAL A1632 -20.038 20.399 6.564 1.00 32.68 N ATOM 177 CA VAL A1632 -21.281 20.593 7.309 1.00 32.85 C ATOM 178 C VAL A1632 -22.486 20.726 6.360 1.00 33.97 C ATOM 179 O VAL A1632 -23.514 20.075 6.557 1.00 34.44 O ATOM 180 CB VAL A1632 -21.182 21.796 8.277 1.00 32.12 C ATOM 181 CG1 VAL A1632 -22.432 21.908 9.135 1.00 31.19 C ATOM 182 CG2 VAL A1632 -19.961 21.658 9.171 1.00 31.66 C ATOM 183 H VAL A1632 -19.281 21.108 6.648 1.00 0.00 H ATOM 184 N ALA A1633 -22.339 21.548 5.322 1.00 35.46 N ATOM 185 CA ALA A1633 -23.403 21.758 4.340 1.00 37.78 C ATOM 186 C ALA A1633 -23.858 20.455 3.670 1.00 39.11 C ATOM 187 O ALA A1633 -25.061 20.192 3.574 1.00 40.29 O ATOM 188 CB ALA A1633 -22.973 22.778 3.297 1.00 38.43 C ATOM 189 H ALA A1633 -21.439 22.057 5.206 1.00 0.00 H ATOM 190 N SER A1634 -22.898 19.643 3.226 1.00 40.68 N ATOM 191 CA SER A1634 -23.193 18.370 2.559 1.00 43.44 C ATOM 192 C SER A1634 -24.158 17.526 3.372 1.00 42.21 C ATOM 193 O SER A1634 -25.178 17.062 2.854 1.00 43.97 O ATOM 194 CB SER A1634 -21.912 17.568 2.318 1.00 46.15 C ATOM 195 OG SER A1634 -20.892 18.390 1.775 1.00 51.95 O ATOM 196 HG SER A1634 -20.692 19.126 2.406 1.00 0.00 H ATOM 197 H SER A1634 -21.905 19.922 3.357 1.00 0.00 H ATOM 198 N LYS A1635 -23.830 17.345 4.649 1.00 40.06 N ATOM 199 CA LYS A1635 -24.616 16.507 5.533 1.00 39.78 C ATOM 200 C LYS A1635 -25.998 17.102 5.721 1.00 39.72 C ATOM 201 O LYS A1635 -26.989 16.378 5.722 1.00 40.54 O ATOM 202 CB LYS A1635 -23.912 16.327 6.880 1.00 38.64 C ATOM 203 CG LYS A1635 -24.633 15.396 7.838 1.00 40.24 C ATOM 204 CD LYS A1635 -24.470 13.937 7.439 1.00 43.39 C ATOM 205 CE LYS A1635 -25.539 13.076 8.092 1.00 45.78 C ATOM 206 NZ LYS A1635 -25.019 11.721 8.410 1.00 48.72 N ATOM 207 HZ1 LYS A1635 -24.708 11.256 7.533 1.00 0.00 H ATOM 208 HZ2 LYS A1635 -24.215 11.804 9.064 1.00 0.00 H ATOM 209 HZ3 LYS A1635 -25.772 11.158 8.854 1.00 0.00 H ATOM 210 H LYS A1635 -22.984 17.819 5.024 1.00 0.00 H ATOM 211 N PHE A1636 -26.049 18.422 5.869 1.00 39.09 N ATOM 212 CA PHE A1636 -27.307 19.147 5.989 1.00 41.11 C ATOM 213 C PHE A1636 -28.176 18.908 4.751 1.00 43.40 C ATOM 214 O PHE A1636 -29.330 18.482 4.857 1.00 44.02 O ATOM 215 CB PHE A1636 -27.029 20.645 6.195 1.00 41.01 C ATOM 216 CG PHE A1636 -28.268 21.485 6.369 1.00 42.19 C ATOM 217 CD1 PHE A1636 -28.865 21.618 7.618 1.00 41.09 C ATOM 218 CD2 PHE A1636 -28.836 22.153 5.281 1.00 43.90 C ATOM 219 CE1 PHE A1636 -30.006 22.392 7.778 1.00 42.11 C ATOM 220 CE2 PHE A1636 -29.974 22.932 5.437 1.00 44.39 C ATOM 221 CZ PHE A1636 -30.561 23.050 6.688 1.00 43.74 C ATOM 222 H PHE A1636 -25.158 18.957 5.900 1.00 0.00 H ATOM 223 N ASN A1637 -27.589 19.151 3.581 1.00 45.27 N ATOM 224 CA ASN A1637 -28.286 19.037 2.301 1.00 48.94 C ATOM 225 C ASN A1637 -28.680 17.614 1.894 1.00 51.91 C ATOM 226 O ASN A1637 -29.343 17.424 0.872 1.00 55.23 O ATOM 227 CB ASN A1637 -27.460 19.700 1.192 1.00 48.54 C ATOM 228 CG ASN A1637 -27.353 21.210 1.360 1.00 46.34 C ATOM 229 OD1 ASN A1637 -28.249 21.858 1.909 1.00 47.99 O ATOM 230 ND2 ASN A1637 -26.255 21.780 0.876 1.00 44.58 N ATOM 231 HD22 ASN A1637 -25.524 21.197 0.421 1.00 0.00 H ATOM 232 HD21 ASN A1637 -26.126 22.809 0.953 1.00 0.00 H ATOM 233 H ASN A1637 -26.589 19.435 3.577 1.00 0.00 H ATOM 234 N GLN A1638 -28.278 16.620 2.687 1.00 52.56 N ATOM 235 CA GLN A1638 -28.703 15.233 2.462 1.00 53.78 C ATOM 236 C GLN A1638 -30.214 15.104 2.565 1.00 53.69 C ATOM 237 O GLN A1638 -30.812 14.277 1.890 1.00 55.07 O ATOM 238 CB GLN A1638 -28.074 14.287 3.481 1.00 53.21 C ATOM 239 CG GLN A1638 -26.717 13.714 3.114 1.00 55.33 C ATOM 240 CD GLN A1638 -26.236 12.707 4.149 1.00 56.35 C ATOM 241 OE1 GLN A1638 -26.994 12.282 5.024 1.00 55.28 O ATOM 242 NE2 GLN A1638 -24.970 12.326 4.057 1.00 60.12 N ATOM 243 HE22 GLN A1638 -24.365 12.710 3.303 1.00 0.00 H ATOM 244 HE21 GLN A1638 -24.581 11.643 4.739 1.00 0.00 H ATOM 245 H GLN A1638 -27.647 16.833 3.486 1.00 0.00 H ATOM 246 N THR A1639 -30.821 15.915 3.427 1.00 53.33 N ATOM 247 CA THR A1639 -32.267 15.888 3.617 1.00 55.18 C ATOM 248 C THR A1639 -32.878 17.291 3.575 1.00 56.21 C ATOM 249 O THR A1639 -34.102 17.444 3.654 1.00 59.80 O ATOM 250 CB THR A1639 -32.652 15.208 4.943 1.00 54.44 C ATOM 251 OG1 THR A1639 -32.163 15.988 6.040 1.00 54.40 O ATOM 252 CG2 THR A1639 -32.082 13.801 5.027 1.00 53.47 C ATOM 253 HG1 THR A1639 -31.177 16.059 5.979 1.00 0.00 H ATOM 254 H THR A1639 -30.250 16.586 3.980 1.00 0.00 H ATOM 255 N CYS A1640 -32.029 18.309 3.430 1.00 55.16 N ATOM 256 CA CYS A1640 -32.488 19.701 3.451 1.00 53.64 C ATOM 257 C CYS A1640 -31.958 20.569 2.313 1.00 54.50 C ATOM 258 O CYS A1640 -31.783 21.777 2.491 1.00 55.87 O ATOM 259 CB CYS A1640 -32.133 20.355 4.786 1.00 49.73 C ATOM 260 SG CYS A1640 -33.081 19.752 6.194 1.00 48.13 S ATOM 261 H CYS A1640 -31.017 18.111 3.299 1.00 0.00 H ATOM 262 N SER A1641 -31.722 19.973 1.146 1.00 55.08 N ATOM 263 CA SER A1641 -31.218 20.737 -0.001 1.00 54.85 C ATOM 264 C SER A1641 -32.239 21.758 -0.523 1.00 55.24 C ATOM 265 O SER A1641 -31.881 22.660 -1.282 1.00 54.70 O ATOM 266 CB SER A1641 -30.721 19.815 -1.122 1.00 56.11 C ATOM 267 OG SER A1641 -31.752 18.972 -1.592 1.00 58.60 O ATOM 268 HG SER A1641 -32.083 18.411 -0.847 1.00 0.00 H ATOM 269 H SER A1641 -31.897 18.953 1.046 1.00 0.00 H ATOM 270 N HIS A1642 -33.491 21.617 -0.085 1.00 56.77 N ATOM 271 CA HIS A1642 -34.584 22.526 -0.446 1.00 59.76 C ATOM 272 C HIS A1642 -34.661 23.770 0.449 1.00 58.52 C ATOM 273 O HIS A1642 -35.480 24.666 0.217 1.00 59.57 O ATOM 274 CB HIS A1642 -35.920 21.783 -0.427 1.00 63.73 C ATOM 275 CG HIS A1642 -36.230 21.129 0.884 1.00 65.27 C ATOM 276 ND1 HIS A1642 -35.781 19.866 1.210 1.00 66.09 N ATOM 277 CD2 HIS A1642 -36.946 21.561 1.950 1.00 65.33 C ATOM 278 CE1 HIS A1642 -36.205 19.550 2.422 1.00 65.48 C ATOM 279 NE2 HIS A1642 -36.915 20.561 2.892 1.00 65.39 N ATOM 280 H HIS A1642 -33.704 20.819 0.547 1.00 0.00 H ATOM 281 N PHE A1643 -33.818 23.815 1.476 1.00 56.68 N ATOM 282 CA PHE A1643 -33.655 25.021 2.281 1.00 56.12 C ATOM 283 C PHE A1643 -32.444 25.790 1.797 1.00 56.21 C ATOM 284 O PHE A1643 -31.501 25.206 1.252 1.00 55.31 O ATOM 285 CB PHE A1643 -33.471 24.687 3.761 1.00 53.68 C ATOM 286 CG PHE A1643 -34.720 24.216 4.438 1.00 53.34 C ATOM 287 CD1 PHE A1643 -35.741 25.107 4.736 1.00 54.53 C ATOM 288 CD2 PHE A1643 -34.869 22.880 4.791 1.00 53.28 C ATOM 289 CE1 PHE A1643 -36.896 24.673 5.365 1.00 56.41 C ATOM 290 CE2 PHE A1643 -36.022 22.438 5.421 1.00 54.77 C ATOM 291 CZ PHE A1643 -37.038 23.337 5.709 1.00 56.66 C ATOM 292 H PHE A1643 -33.261 22.969 1.712 1.00 0.00 H ATOM 293 N ARG A1644 -32.473 27.101 2.009 1.00 57.51 N ATOM 294 CA ARG A1644 -31.355 27.961 1.663 1.00 58.50 C ATOM 295 C ARG A1644 -30.579 28.321 2.933 1.00 55.51 C ATOM 296 O ARG A1644 -31.173 28.728 3.934 1.00 53.33 O ATOM 297 CB ARG A1644 -31.857 29.211 0.942 1.00 63.39 C ATOM 298 CG ARG A1644 -30.848 29.823 -0.013 1.00 69.03 C ATOM 299 CD ARG A1644 -31.527 30.615 -1.118 1.00 78.42 C ATOM 300 NE ARG A1644 -32.318 31.739 -0.610 1.00 89.15 N ATOM 301 CZ ARG A1644 -31.817 32.894 -0.168 1.00 94.55 C ATOM 302 NH1 ARG A1644 -30.503 33.107 -0.149 1.00 98.06 N ATOM 303 NH2 ARG A1644 -32.639 33.843 0.268 1.00100.48 N ATOM 304 HE ARG A1644 -33.352 31.628 -0.593 1.00 0.00 H ATOM 305 HH12 ARG A1644 -30.128 34.013 0.198 1.00 0.00 H ATOM 306 HH11 ARG A1644 -29.852 32.368 -0.482 1.00 0.00 H ATOM 307 HH22 ARG A1644 -32.255 34.745 0.614 1.00 0.00 H ATOM 308 HH21 ARG A1644 -33.667 33.683 0.263 1.00 0.00 H ATOM 309 H ARG A1644 -33.322 27.524 2.436 1.00 0.00 H ATOM 310 N ILE A1645 -29.257 28.152 2.884 1.00 52.34 N ATOM 311 CA ILE A1645 -28.389 28.388 4.037 1.00 49.82 C ATOM 312 C ILE A1645 -27.879 29.832 4.073 1.00 51.35 C ATOM 313 O ILE A1645 -27.178 30.269 3.156 1.00 51.44 O ATOM 314 CB ILE A1645 -27.198 27.394 4.072 1.00 46.50 C ATOM 315 CG1 ILE A1645 -27.704 25.957 4.267 1.00 43.42 C ATOM 316 CG2 ILE A1645 -26.206 27.775 5.168 1.00 43.95 C ATOM 317 CD1 ILE A1645 -26.641 24.885 4.137 1.00 40.61 C ATOM 318 H ILE A1645 -28.826 27.840 1.990 1.00 0.00 H ATOM 319 N GLU A1646 -28.247 30.561 5.131 1.00 51.12 N ATOM 320 CA GLU A1646 -27.762 31.928 5.361 1.00 51.21 C ATOM 321 C GLU A1646 -26.306 31.939 5.819 1.00 47.45 C ATOM 322 O GLU A1646 -25.489 32.665 5.266 1.00 48.00 O ATOM 323 CB GLU A1646 -28.633 32.674 6.379 1.00 54.38 C ATOM 324 CG GLU A1646 -29.714 33.560 5.768 1.00 61.47 C ATOM 325 CD GLU A1646 -29.918 34.881 6.516 1.00 66.36 C ATOM 326 OE1 GLU A1646 -29.201 35.143 7.515 1.00 63.14 O ATOM 327 OE2 GLU A1646 -30.800 35.672 6.098 1.00 74.16 O ATOM 328 H GLU A1646 -28.904 30.143 5.820 1.00 0.00 H ATOM 329 N LYS A1647 -25.992 31.141 6.837 1.00 45.13 N ATOM 330 CA LYS A1647 -24.615 30.999 7.317 1.00 42.77 C ATOM 331 C LYS A1647 -24.407 29.793 8.241 1.00 37.77 C ATOM 332 O LYS A1647 -25.361 29.231 8.795 1.00 36.65 O ATOM 333 CB LYS A1647 -24.132 32.279 8.015 1.00 44.24 C ATOM 334 CG LYS A1647 -25.038 32.771 9.126 1.00 45.93 C ATOM 335 CD LYS A1647 -24.277 33.601 10.145 1.00 47.61 C ATOM 336 CE LYS A1647 -25.260 34.461 10.918 1.00 49.15 C ATOM 337 NZ LYS A1647 -25.076 34.357 12.388 1.00 47.56 N ATOM 338 HZ1 LYS A1647 -25.213 33.370 12.684 1.00 0.00 H ATOM 339 HZ2 LYS A1647 -24.115 34.665 12.639 1.00 0.00 H ATOM 340 HZ3 LYS A1647 -25.772 34.963 12.867 1.00 0.00 H ATOM 341 H LYS A1647 -26.747 30.602 7.306 1.00 0.00 H ATOM 342 N ILE A1648 -23.144 29.403 8.384 1.00 35.23 N ATOM 343 CA ILE A1648 -22.746 28.372 9.327 1.00 34.44 C ATOM 344 C ILE A1648 -21.620 28.935 10.181 1.00 33.76 C ATOM 345 O ILE A1648 -20.695 29.566 9.665 1.00 33.15 O ATOM 346 CB ILE A1648 -22.309 27.064 8.622 1.00 34.23 C ATOM 347 CG1 ILE A1648 -23.431 26.547 7.711 1.00 35.62 C ATOM 348 CG2 ILE A1648 -21.927 26.003 9.647 1.00 32.48 C ATOM 349 CD1 ILE A1648 -23.002 25.501 6.704 1.00 35.90 C ATOM 350 H ILE A1648 -22.412 29.854 7.798 1.00 0.00 H ATOM 351 N GLU A1649 -21.725 28.718 11.491 1.00 33.81 N ATOM 352 CA GLU A1649 -20.763 29.235 12.463 1.00 34.20 C ATOM 353 C GLU A1649 -20.270 28.121 13.359 1.00 33.10 C ATOM 354 O GLU A1649 -21.058 27.277 13.787 1.00 34.01 O ATOM 355 CB GLU A1649 -21.407 30.316 13.324 1.00 35.69 C ATOM 356 CG GLU A1649 -21.813 31.559 12.551 1.00 38.31 C ATOM 357 CD GLU A1649 -22.738 32.454 13.338 1.00 40.43 C ATOM 358 OE1 GLU A1649 -23.920 32.082 13.522 1.00 42.51 O ATOM 359 OE2 GLU A1649 -22.280 33.534 13.765 1.00 42.49 O ATOM 360 H GLU A1649 -22.528 28.155 11.838 1.00 0.00 H ATOM 361 N ARG A1650 -18.967 28.121 13.628 1.00 32.95 N ATOM 362 CA ARG A1650 -18.363 27.206 14.585 1.00 33.83 C ATOM 363 C ARG A1650 -18.366 27.850 15.968 1.00 34.89 C ATOM 364 O ARG A1650 -17.862 28.960 16.141 1.00 35.44 O ATOM 365 CB ARG A1650 -16.935 26.842 14.157 1.00 35.12 C ATOM 366 CG ARG A1650 -16.232 25.864 15.094 1.00 38.06 C ATOM 367 CD ARG A1650 -14.899 25.375 14.545 1.00 41.08 C ATOM 368 NE ARG A1650 -13.902 26.438 14.444 1.00 46.28 N ATOM 369 CZ ARG A1650 -13.452 26.943 13.296 1.00 48.45 C ATOM 370 NH1 ARG A1650 -13.899 26.477 12.142 1.00 48.51 N ATOM 371 NH2 ARG A1650 -12.549 27.915 13.301 1.00 53.33 N ATOM 372 HE ARG A1650 -13.517 26.827 15.328 1.00 0.00 H ATOM 373 HH12 ARG A1650 -13.545 26.874 11.249 1.00 0.00 H ATOM 374 HH11 ARG A1650 -14.605 25.713 12.128 1.00 0.00 H ATOM 375 HH22 ARG A1650 -12.201 28.306 12.402 1.00 0.00 H ATOM 376 HH21 ARG A1650 -12.189 28.286 14.204 1.00 0.00 H ATOM 377 H ARG A1650 -18.356 28.802 13.135 1.00 0.00 H ATOM 378 N ILE A1651 -18.941 27.153 16.943 1.00 34.87 N ATOM 379 CA ILE A1651 -19.001 27.633 18.325 1.00 35.02 C ATOM 380 C ILE A1651 -17.774 27.141 19.082 1.00 35.79 C ATOM 381 O ILE A1651 -17.593 25.937 19.250 1.00 36.53 O ATOM 382 CB ILE A1651 -20.275 27.130 19.046 1.00 34.89 C ATOM 383 CG1 ILE A1651 -21.543 27.378 18.206 1.00 34.52 C ATOM 384 CG2 ILE A1651 -20.376 27.711 20.450 1.00 36.01 C ATOM 385 CD1 ILE A1651 -21.875 28.823 17.914 1.00 34.33 C ATOM 386 H ILE A1651 -19.365 26.231 16.715 1.00 0.00 H ATOM 387 N GLN A1652 -16.937 28.070 19.540 1.00 36.37 N ATOM 388 CA GLN A1652 -15.700 27.718 20.250 1.00 37.83 C ATOM 389 C GLN A1652 -15.788 28.024 21.741 1.00 38.15 C ATOM 390 O GLN A1652 -15.540 29.149 22.180 1.00 37.61 O ATOM 391 CB GLN A1652 -14.489 28.419 19.637 1.00 39.38 C ATOM 392 CG GLN A1652 -14.241 28.061 18.183 1.00 41.74 C ATOM 393 CD GLN A1652 -13.053 28.789 17.592 1.00 45.49 C ATOM 394 OE1 GLN A1652 -12.522 28.384 16.557 1.00 50.87 O ATOM 395 NE2 GLN A1652 -12.629 29.868 18.240 1.00 47.13 N ATOM 396 HE22 GLN A1652 -13.108 30.173 19.111 1.00 0.00 H ATOM 397 HE21 GLN A1652 -11.818 30.408 17.876 1.00 0.00 H ATOM 398 H GLN A1652 -17.166 29.074 19.391 1.00 0.00 H ATOM 399 N ASN A1653 -16.142 26.996 22.503 1.00 39.17 N ATOM 400 CA ASN A1653 -16.276 27.078 23.949 1.00 40.49 C ATOM 401 C ASN A1653 -15.289 26.107 24.633 1.00 42.15 C ATOM 402 O ASN A1653 -15.614 24.927 24.843 1.00 41.51 O ATOM 403 CB ASN A1653 -17.730 26.778 24.336 1.00 39.81 C ATOM 404 CG ASN A1653 -18.025 27.069 25.788 1.00 40.66 C ATOM 405 OD1 ASN A1653 -17.135 27.044 26.636 1.00 42.37 O ATOM 406 ND2 ASN A1653 -19.289 27.338 26.084 1.00 40.80 N ATOM 407 HD22 ASN A1653 -20.008 27.348 25.333 1.00 0.00 H ATOM 408 HD21 ASN A1653 -19.561 27.539 27.067 1.00 0.00 H ATOM 409 H ASN A1653 -16.334 26.084 22.042 1.00 0.00 H ATOM 410 N PRO A1654 -14.077 26.603 24.971 1.00 43.47 N ATOM 411 CA PRO A1654 -12.989 25.789 25.517 1.00 44.90 C ATOM 412 C PRO A1654 -13.413 24.932 26.710 1.00 47.42 C ATOM 413 O PRO A1654 -13.129 23.729 26.736 1.00 49.92 O ATOM 414 CB PRO A1654 -11.960 26.830 25.966 1.00 46.17 C ATOM 415 CG PRO A1654 -12.203 28.003 25.088 1.00 45.52 C ATOM 416 CD PRO A1654 -13.685 28.020 24.836 1.00 44.21 C ATOM 417 N ASP A1655 -14.095 25.539 27.677 1.00 47.93 N ATOM 418 CA ASP A1655 -14.471 24.832 28.897 1.00 48.98 C ATOM 419 C ASP A1655 -15.565 23.798 28.670 1.00 48.75 C ATOM 420 O ASP A1655 -15.597 22.771 29.350 1.00 54.47 O ATOM 421 CB ASP A1655 -14.857 25.811 30.008 1.00 50.87 C ATOM 422 CG ASP A1655 -13.692 26.696 30.440 1.00 51.91 C ATOM 423 OD1 ASP A1655 -12.526 26.248 30.367 1.00 52.33 O ATOM 424 OD2 ASP A1655 -13.942 27.847 30.853 1.00 54.53 O ATOM 425 H ASP A1655 -14.366 26.537 27.562 1.00 0.00 H ATOM 426 N LEU A1656 -16.453 24.055 27.718 1.00 44.61 N ATOM 427 CA LEU A1656 -17.465 23.068 27.365 1.00 43.99 C ATOM 428 C LEU A1656 -16.811 21.901 26.619 1.00 42.66 C ATOM 429 O LEU A1656 -17.065 20.741 26.925 1.00 44.19 O ATOM 430 CB LEU A1656 -18.583 23.703 26.536 1.00 43.13 C ATOM 431 CG LEU A1656 -19.932 22.980 26.501 1.00 43.56 C ATOM 432 CD1 LEU A1656 -20.587 22.917 27.874 1.00 46.11 C ATOM 433 CD2 LEU A1656 -20.852 23.676 25.518 1.00 43.10 C ATOM 434 H LEU A1656 -16.426 24.968 27.220 1.00 0.00 H ATOM 435 N TRP A1657 -15.952 22.230 25.658 1.00 41.58 N ATOM 436 CA TRP A1657 -15.179 21.255 24.891 1.00 39.54 C ATOM 437 C TRP A1657 -14.315 20.361 25.780 1.00 40.13 C ATOM 438 O TRP A1657 -14.291 19.143 25.605 1.00 39.51 O ATOM 439 CB TRP A1657 -14.305 22.004 23.886 1.00 39.32 C ATOM 440 CG TRP A1657 -13.418 21.158 23.026 1.00 38.07 C ATOM 441 CD1 TRP A1657 -12.068 20.986 23.162 1.00 39.20 C ATOM 442 CD2 TRP A1657 -13.808 20.390 21.881 1.00 37.22 C ATOM 443 NE1 TRP A1657 -11.593 20.152 22.176 1.00 38.21 N ATOM 444 CE2 TRP A1657 -12.638 19.773 21.373 1.00 37.30 C ATOM 445 CE3 TRP A1657 -15.033 20.156 21.236 1.00 36.86 C ATOM 446 CZ2 TRP A1657 -12.655 18.938 20.244 1.00 37.10 C ATOM 447 CZ3 TRP A1657 -15.049 19.322 20.105 1.00 36.41 C ATOM 448 CH2 TRP A1657 -13.866 18.727 19.626 1.00 36.71 C ATOM 449 HE1 TRP A1657 -10.603 19.857 22.059 1.00 0.00 H ATOM 450 H TRP A1657 -15.823 23.239 25.440 1.00 0.00 H ATOM 451 N ASN A1658 -13.610 20.966 26.732 1.00 41.56 N ATOM 452 CA ASN A1658 -12.764 20.208 27.653 1.00 42.22 C ATOM 453 C ASN A1658 -13.552 19.236 28.517 1.00 42.58 C ATOM 454 O ASN A1658 -13.096 18.125 28.780 1.00 42.69 O ATOM 455 CB ASN A1658 -11.929 21.141 28.526 1.00 44.50 C ATOM 456 CG ASN A1658 -10.856 21.861 27.740 1.00 44.95 C ATOM 457 OD1 ASN A1658 -10.511 21.464 26.624 1.00 44.50 O ATOM 458 ND2 ASN A1658 -10.323 22.932 28.315 1.00 46.46 N ATOM 459 HD22 ASN A1658 -10.645 23.230 29.258 1.00 0.00 H ATOM 460 HD21 ASN A1658 -9.584 23.473 27.823 1.00 0.00 H ATOM 461 H ASN A1658 -13.662 22.001 26.823 1.00 0.00 H ATOM 462 N SER A1659 -14.737 19.661 28.945 1.00 42.75 N ATOM 463 CA SER A1659 -15.640 18.806 29.707 1.00 44.03 C ATOM 464 C SER A1659 -16.145 17.659 28.848 1.00 42.94 C ATOM 465 O SER A1659 -16.254 16.528 29.322 1.00 44.71 O ATOM 466 CB SER A1659 -16.829 19.606 30.246 1.00 44.82 C ATOM 467 OG SER A1659 -16.450 20.475 31.302 1.00 47.86 O ATOM 468 HG SER A1659 -15.770 21.115 30.973 1.00 0.00 H ATOM 469 H SER A1659 -15.030 20.635 28.729 1.00 0.00 H ATOM 470 N TYR A1660 -16.451 17.964 27.589 1.00 40.12 N ATOM 471 CA TYR A1660 -16.945 16.980 26.637 1.00 38.48 C ATOM 472 C TYR A1660 -15.879 15.932 26.304 1.00 38.13 C ATOM 473 O TYR A1660 -16.154 14.731 26.328 1.00 38.07 O ATOM 474 CB TYR A1660 -17.426 17.681 25.367 1.00 36.57 C ATOM 475 CG TYR A1660 -17.832 16.740 24.257 1.00 35.48 C ATOM 476 CD1 TYR A1660 -19.120 16.206 24.206 1.00 35.82 C ATOM 477 CD2 TYR A1660 -16.928 16.382 23.256 1.00 34.75 C ATOM 478 CE1 TYR A1660 -19.494 15.341 23.190 1.00 35.63 C ATOM 479 CE2 TYR A1660 -17.293 15.515 22.234 1.00 34.22 C ATOM 480 CZ TYR A1660 -18.576 14.999 22.202 1.00 34.66 C ATOM 481 OH TYR A1660 -18.949 14.141 21.186 1.00 33.49 O ATOM 482 HH TYR A1660 -18.853 14.602 20.315 1.00 0.00 H ATOM 483 H TYR A1660 -16.332 18.947 27.272 1.00 0.00 H ATOM 484 N GLN A1661 -14.669 16.394 25.997 1.00 37.96 N ATOM 485 CA GLN A1661 -13.555 15.505 25.708 1.00 38.42 C ATOM 486 C GLN A1661 -13.193 14.650 26.908 1.00 41.47 C ATOM 487 O GLN A1661 -12.864 13.474 26.754 1.00 42.81 O ATOM 488 CB GLN A1661 -12.333 16.284 25.224 1.00 38.32 C ATOM 489 CG GLN A1661 -12.462 16.805 23.799 1.00 37.91 C ATOM 490 CD GLN A1661 -12.750 15.709 22.779 1.00 38.07 C ATOM 491 OE1 GLN A1661 -12.215 14.600 22.861 1.00 39.58 O ATOM 492 NE2 GLN A1661 -13.596 16.022 21.801 1.00 37.96 N ATOM 493 HE22 GLN A1661 -14.026 16.969 21.768 1.00 0.00 H ATOM 494 HE21 GLN A1661 -13.828 15.320 21.069 1.00 0.00 H ATOM 495 H GLN A1661 -14.516 17.422 25.963 1.00 0.00 H ATOM 496 N ALA A1662 -13.265 15.235 28.101 1.00 42.86 N ATOM 497 CA ALA A1662 -13.016 14.491 29.333 1.00 45.10 C ATOM 498 C ALA A1662 -13.971 13.298 29.438 1.00 45.75 C ATOM 499 O ALA A1662 -13.540 12.171 29.690 1.00 47.37 O ATOM 500 CB ALA A1662 -13.147 15.399 30.543 1.00 45.57 C ATOM 501 H ALA A1662 -13.504 16.246 28.157 1.00 0.00 H ATOM 502 N LYS A1663 -15.260 13.552 29.218 1.00 45.19 N ATOM 503 CA LYS A1663 -16.282 12.514 29.264 1.00 46.91 C ATOM 504 C LYS A1663 -16.110 11.488 28.132 1.00 46.75 C ATOM 505 O LYS A1663 -16.419 10.301 28.310 1.00 47.32 O ATOM 506 CB LYS A1663 -17.681 13.136 29.249 1.00 48.02 C ATOM 507 CG LYS A1663 -18.774 12.151 28.884 1.00 52.24 C ATOM 508 CD LYS A1663 -20.131 12.502 29.462 1.00 59.25 C ATOM 509 CE LYS A1663 -21.041 11.284 29.354 1.00 66.84 C ATOM 510 NZ LYS A1663 -22.405 11.515 29.899 1.00 74.74 N ATOM 511 HZ1 LYS A1663 -22.337 11.766 30.906 1.00 0.00 H ATOM 512 HZ2 LYS A1663 -22.859 12.292 29.377 1.00 0.00 H ATOM 513 HZ3 LYS A1663 -22.970 10.648 29.794 1.00 0.00 H ATOM 514 H LYS A1663 -15.548 14.528 29.005 1.00 0.00 H ATOM 515 N LYS A1664 -15.607 11.946 26.984 1.00 44.63 N ATOM 516 CA LYS A1664 -15.300 11.057 25.862 1.00 42.73 C ATOM 517 C LYS A1664 -14.105 10.141 26.147 1.00 43.26 C ATOM 518 O LYS A1664 -14.120 8.962 25.777 1.00 43.43 O ATOM 519 CB LYS A1664 -15.053 11.853 24.583 1.00 41.18 C ATOM 520 CG LYS A1664 -14.927 10.982 23.344 1.00 41.20 C ATOM 521 CD LYS A1664 -14.512 11.800 22.135 1.00 40.24 C ATOM 522 CE LYS A1664 -14.601 10.986 20.856 1.00 40.88 C ATOM 523 NZ LYS A1664 -13.586 9.900 20.821 1.00 42.18 N ATOM 524 HZ1 LYS A1664 -12.634 10.315 20.879 1.00 0.00 H ATOM 525 HZ2 LYS A1664 -13.737 9.260 21.627 1.00 0.00 H ATOM 526 HZ3 LYS A1664 -13.680 9.368 19.932 1.00 0.00 H ATOM 527 H LYS A1664 -15.428 12.965 26.883 1.00 0.00 H ATOM 528 N LYS A1665 -13.074 10.679 26.795 1.00 43.65 N ATOM 529 CA LYS A1665 -11.919 9.868 27.157 1.00 44.74 C ATOM 530 C LYS A1665 -12.363 8.676 28.005 1.00 46.37 C ATOM 531 O LYS A1665 -12.003 7.536 27.708 1.00 46.67 O ATOM 532 CB LYS A1665 -10.847 10.693 27.881 1.00 46.24 C ATOM 533 CG LYS A1665 -9.628 9.875 28.294 1.00 48.53 C ATOM 534 CD LYS A1665 -8.529 10.705 28.939 1.00 50.66 C ATOM 535 CE LYS A1665 -7.375 9.801 29.348 1.00 52.95 C ATOM 536 NZ LYS A1665 -6.364 10.494 30.195 1.00 55.77 N ATOM 537 HZ1 LYS A1665 -5.965 11.298 29.669 1.00 0.00 H ATOM 538 HZ2 LYS A1665 -6.819 10.839 31.064 1.00 0.00 H ATOM 539 HZ3 LYS A1665 -5.604 9.828 30.441 1.00 0.00 H ATOM 540 H LYS A1665 -13.093 11.688 27.045 1.00 0.00 H ATOM 541 N THR A1666 -13.166 8.940 29.034 1.00 47.47 N ATOM 542 CA THR A1666 -13.611 7.882 29.945 1.00 50.16 C ATOM 543 C THR A1666 -14.550 6.924 29.227 1.00 48.83 C ATOM 544 O THR A1666 -14.545 5.722 29.498 1.00 52.59 O ATOM 545 CB THR A1666 -14.316 8.423 31.213 1.00 52.31 C ATOM 546 OG1 THR A1666 -15.575 9.007 30.858 1.00 53.11 O ATOM 547 CG2 THR A1666 -13.457 9.450 31.936 1.00 52.93 C ATOM 548 HG1 THR A1666 -15.425 9.752 30.224 1.00 0.00 H ATOM 549 H THR A1666 -13.484 9.917 29.194 1.00 0.00 H ATOM 550 N MET A1667 -15.348 7.460 28.310 1.00 45.84 N ATOM 551 CA MET A1667 -16.299 6.649 27.571 1.00 45.17 C ATOM 552 C MET A1667 -15.610 5.714 26.581 1.00 43.48 C ATOM 553 O MET A1667 -16.045 4.583 26.399 1.00 44.43 O ATOM 554 CB MET A1667 -17.313 7.538 26.864 1.00 44.53 C ATOM 555 CG MET A1667 -18.502 6.795 26.287 1.00 45.84 C ATOM 556 SD MET A1667 -19.932 7.879 26.341 1.00 48.87 S ATOM 557 CE MET A1667 -20.852 7.289 24.940 1.00 46.15 C ATOM 558 H MET A1667 -15.290 8.480 28.118 1.00 0.00 H ATOM 559 N ASP A1668 -14.536 6.185 25.954 1.00 43.10 N ATOM 560 CA ASP A1668 -13.779 5.364 25.008 1.00 44.10 C ATOM 561 C ASP A1668 -13.010 4.256 25.712 1.00 46.67 C ATOM 562 O ASP A1668 -12.778 3.190 25.137 1.00 48.03 O ATOM 563 CB ASP A1668 -12.820 6.218 24.177 1.00 44.10 C ATOM 564 CG ASP A1668 -13.547 7.146 23.212 1.00 42.88 C ATOM 565 OD1 ASP A1668 -14.743 6.907 22.920 1.00 44.78 O ATOM 566 OD2 ASP A1668 -12.917 8.122 22.741 1.00 44.27 O ATOM 567 H ASP A1668 -14.227 7.160 26.140 1.00 0.00 H ATOM 568 N ALA A1669 -12.620 4.518 26.956 1.00 47.63 N ATOM 569 CA ALA A1669 -11.945 3.527 27.790 1.00 49.15 C ATOM 570 C ALA A1669 -12.908 2.443 28.283 1.00 49.68 C ATOM 571 O ALA A1669 -12.480 1.366 28.694 1.00 50.56 O ATOM 572 CB ALA A1669 -11.265 4.210 28.970 1.00 50.73 C ATOM 573 H ALA A1669 -12.802 5.463 27.350 1.00 0.00 H ATOM 574 N LYS A1670 -14.203 2.739 28.217 1.00 48.67 N ATOM 575 CA LYS A1670 -15.237 1.900 28.799 1.00 49.95 C ATOM 576 C LYS A1670 -15.979 1.040 27.775 1.00 48.84 C ATOM 577 O LYS A1670 -16.209 -0.141 28.009 1.00 50.33 O ATOM 578 CB LYS A1670 -16.237 2.778 29.547 1.00 51.91 C ATOM 579 CG LYS A1670 -17.277 2.001 30.327 1.00 55.83 C ATOM 580 CD LYS A1670 -18.596 2.740 30.367 1.00 58.37 C ATOM 581 CE LYS A1670 -19.721 1.789 30.736 1.00 63.76 C ATOM 582 NZ LYS A1670 -21.051 2.342 30.365 1.00 67.07 N ATOM 583 HZ1 LYS A1670 -21.203 3.241 30.866 1.00 0.00 H ATOM 584 HZ2 LYS A1670 -21.083 2.506 29.338 1.00 0.00 H ATOM 585 HZ3 LYS A1670 -21.794 1.665 30.632 1.00 0.00 H ATOM 586 H LYS A1670 -14.489 3.611 27.727 1.00 0.00 H ATOM 587 N ASN A1671 -16.354 1.633 26.645 1.00 45.85 N ATOM 588 CA ASN A1671 -17.235 0.964 25.678 1.00 45.08 C ATOM 589 C ASN A1671 -16.541 0.123 24.591 1.00 44.04 C ATOM 590 O ASN A1671 -17.181 -0.308 23.633 1.00 43.33 O ATOM 591 CB ASN A1671 -18.235 1.963 25.074 1.00 44.04 C ATOM 592 CG ASN A1671 -19.274 2.439 26.086 1.00 45.64 C ATOM 593 OD1 ASN A1671 -19.430 1.855 27.162 1.00 48.26 O ATOM 594 ND2 ASN A1671 -19.990 3.505 25.744 1.00 45.00 N ATOM 595 HD22 ASN A1671 -19.827 3.968 24.827 1.00 0.00 H ATOM 596 HD21 ASN A1671 -20.713 3.876 26.393 1.00 0.00 H ATOM 597 H ASN A1671 -16.015 2.595 26.441 1.00 0.00 H ATOM 598 N GLY A1672 -15.240 -0.109 24.755 1.00 44.23 N ATOM 599 CA GLY A1672 -14.482 -1.015 23.890 1.00 44.74 C ATOM 600 C GLY A1672 -14.417 -0.611 22.430 1.00 43.28 C ATOM 601 O GLY A1672 -13.980 0.488 22.106 1.00 42.97 O ATOM 602 H GLY A1672 -14.742 0.373 25.530 1.00 0.00 H ATOM 603 N GLN A1673 -14.869 -1.507 21.554 1.00 43.84 N ATOM 604 CA GLN A1673 -14.807 -1.306 20.102 1.00 42.76 C ATOM 605 C GLN A1673 -15.819 -0.273 19.596 1.00 41.94 C ATOM 606 O GLN A1673 -15.798 0.104 18.422 1.00 41.67 O ATOM 607 CB GLN A1673 -14.968 -2.645 19.359 1.00 42.85 C ATOM 608 CG GLN A1673 -16.398 -3.148 19.197 1.00 42.42 C ATOM 609 CD GLN A1673 -16.890 -4.020 20.345 1.00 43.31 C ATOM 610 OE1 GLN A1673 -16.251 -4.123 21.391 1.00 44.13 O ATOM 611 NE2 GLN A1673 -18.040 -4.655 20.147 1.00 43.71 N ATOM 612 HE22 GLN A1673 -18.549 -4.541 19.247 1.00 0.00 H ATOM 613 HE21 GLN A1673 -18.431 -5.267 20.892 1.00 0.00 H ATOM 614 H GLN A1673 -15.285 -2.389 21.916 1.00 0.00 H ATOM 615 N THR A1674 -16.697 0.182 20.485 1.00 42.21 N ATOM 616 CA THR A1674 -17.748 1.123 20.125 1.00 41.31 C ATOM 617 C THR A1674 -17.183 2.459 19.665 1.00 40.27 C ATOM 618 O THR A1674 -16.236 2.994 20.259 1.00 40.09 O ATOM 619 CB THR A1674 -18.705 1.367 21.307 1.00 41.65 C ATOM 620 OG1 THR A1674 -19.092 0.108 21.871 1.00 43.16 O ATOM 621 CG2 THR A1674 -19.953 2.128 20.857 1.00 40.39 C ATOM 622 HG1 THR A1674 -18.286 -0.371 22.190 1.00 0.00 H ATOM 623 H THR A1674 -16.631 -0.145 21.470 1.00 0.00 H ATOM 624 N MET A1675 -17.767 2.968 18.585 1.00 40.13 N ATOM 625 CA MET A1675 -17.568 4.342 18.152 1.00 40.38 C ATOM 626 C MET A1675 -18.574 5.197 18.912 1.00 38.75 C ATOM 627 O MET A1675 -19.750 5.244 18.553 1.00 39.60 O ATOM 628 CB MET A1675 -17.789 4.465 16.642 1.00 41.01 C ATOM 629 CG MET A1675 -16.908 3.551 15.803 1.00 44.16 C ATOM 630 SD MET A1675 -15.140 3.704 16.156 1.00 49.39 S ATOM 631 CE MET A1675 -14.756 5.267 15.362 1.00 46.40 C ATOM 632 H MET A1675 -18.394 2.356 18.025 1.00 0.00 H ATOM 633 N ASN A1676 -18.117 5.865 19.966 1.00 38.16 N ATOM 634 CA ASN A1676 -19.028 6.500 20.915 1.00 38.20 C ATOM 635 C ASN A1676 -19.667 7.791 20.441 1.00 37.68 C ATOM 636 O ASN A1676 -20.730 8.186 20.932 1.00 37.35 O ATOM 637 CB ASN A1676 -18.318 6.726 22.240 1.00 38.77 C ATOM 638 CG ASN A1676 -17.904 5.431 22.892 1.00 40.01 C ATOM 639 OD1 ASN A1676 -18.713 4.509 23.043 1.00 41.53 O ATOM 640 ND2 ASN A1676 -16.638 5.345 23.276 1.00 40.73 N ATOM 641 HD22 ASN A1676 -15.994 6.148 23.128 1.00 0.00 H ATOM 642 HD21 ASN A1676 -16.289 4.475 23.725 1.00 0.00 H ATOM 643 H ASN A1676 -17.091 5.937 20.118 1.00 0.00 H ATOM 644 N GLU A1677 -19.025 8.436 19.476 1.00 37.40 N ATOM 645 CA GLU A1677 -19.453 9.748 19.024 1.00 37.19 C ATOM 646 C GLU A1677 -20.231 9.684 17.724 1.00 35.98 C ATOM 647 O GLU A1677 -19.900 8.916 16.820 1.00 37.56 O ATOM 648 CB GLU A1677 -18.238 10.638 18.839 1.00 36.76 C ATOM 649 CG GLU A1677 -18.540 12.114 18.715 1.00 37.19 C ATOM 650 CD GLU A1677 -17.268 12.920 18.759 1.00 37.97 C ATOM 651 OE1 GLU A1677 -16.350 12.607 17.972 1.00 39.82 O ATOM 652 OE2 GLU A1677 -17.169 13.841 19.596 1.00 38.89 O ATOM 653 H GLU A1677 -18.196 7.992 19.033 1.00 0.00 H ATOM 654 N LYS A1678 -21.275 10.496 17.645 1.00 35.39 N ATOM 655 CA LYS A1678 -21.970 10.714 16.392 1.00 36.01 C ATOM 656 C LYS A1678 -22.176 12.206 16.221 1.00 35.32 C ATOM 657 O LYS A1678 -22.137 12.952 17.198 1.00 35.82 O ATOM 658 CB LYS A1678 -23.318 9.994 16.373 1.00 36.97 C ATOM 659 CG LYS A1678 -23.226 8.482 16.366 1.00 37.30 C ATOM 660 CD LYS A1678 -24.527 7.860 15.891 1.00 38.13 C ATOM 661 CE LYS A1678 -24.566 6.374 16.203 1.00 39.28 C ATOM 662 NZ LYS A1678 -23.327 5.676 15.767 1.00 38.45 N ATOM 663 HZ1 LYS A1678 -23.211 5.788 14.740 1.00 0.00 H ATOM 664 HZ2 LYS A1678 -22.508 6.088 16.257 1.00 0.00 H ATOM 665 HZ3 LYS A1678 -23.400 4.665 16.001 1.00 0.00 H ATOM 666 H LYS A1678 -21.603 10.988 18.501 1.00 0.00 H ATOM 667 N GLN A1679 -22.386 12.635 14.979 1.00 35.19 N ATOM 668 CA GLN A1679 -22.734 14.023 14.681 1.00 33.52 C ATOM 669 C GLN A1679 -24.189 14.137 14.254 1.00 33.36 C ATOM 670 O GLN A1679 -24.583 13.631 13.199 1.00 33.58 O ATOM 671 CB GLN A1679 -21.797 14.598 13.633 1.00 33.09 C ATOM 672 CG GLN A1679 -20.431 14.906 14.202 1.00 32.93 C ATOM 673 CD GLN A1679 -19.504 15.474 13.164 1.00 34.36 C ATOM 674 OE1 GLN A1679 -18.888 14.733 12.398 1.00 35.14 O ATOM 675 NE2 GLN A1679 -19.392 16.795 13.131 1.00 34.39 N ATOM 676 HE22 GLN A1679 -19.933 17.380 13.799 1.00 0.00 H ATOM 677 HE21 GLN A1679 -18.763 17.246 12.437 1.00 0.00 H ATOM 678 H GLN A1679 -22.300 11.959 14.193 1.00 0.00 H ATOM 679 N LEU A1680 -24.979 14.793 15.103 1.00 33.15 N ATOM 680 CA LEU A1680 -26.438 14.829 14.973 1.00 34.07 C ATOM 681 C LEU A1680 -26.967 16.265 14.972 1.00 34.25 C ATOM 682 O LEU A1680 -26.234 17.212 15.277 1.00 33.69 O ATOM 683 CB LEU A1680 -27.085 14.027 16.110 1.00 34.23 C ATOM 684 CG LEU A1680 -26.546 12.620 16.399 1.00 33.55 C ATOM 685 CD1 LEU A1680 -26.943 12.165 17.792 1.00 34.38 C ATOM 686 CD2 LEU A1680 -27.013 11.623 15.360 1.00 33.70 C ATOM 687 H LEU A1680 -24.539 15.304 15.895 1.00 0.00 H ATOM 688 N PHE A1681 -28.241 16.426 14.634 1.00 35.85 N ATOM 689 CA PHE A1681 -28.831 17.759 14.520 1.00 36.76 C ATOM 690 C PHE A1681 -29.767 18.074 15.677 1.00 38.52 C ATOM 691 O PHE A1681 -30.337 17.166 16.285 1.00 40.35 O ATOM 692 CB PHE A1681 -29.577 17.911 13.190 1.00 37.63 C ATOM 693 CG PHE A1681 -28.702 17.765 11.989 1.00 37.13 C ATOM 694 CD1 PHE A1681 -27.975 18.845 11.513 1.00 36.23 C ATOM 695 CD2 PHE A1681 -28.595 16.539 11.334 1.00 38.63 C ATOM 696 CE1 PHE A1681 -27.158 18.713 10.399 1.00 37.07 C ATOM 697 CE2 PHE A1681 -27.783 16.400 10.216 1.00 39.02 C ATOM 698 CZ PHE A1681 -27.063 17.489 9.749 1.00 38.26 C ATOM 699 H PHE A1681 -28.830 15.589 14.447 1.00 0.00 H ATOM 700 N HIS A1682 -29.912 19.366 15.971 1.00 38.48 N ATOM 701 CA HIS A1682 -30.843 19.845 16.981 1.00 38.95 C ATOM 702 C HIS A1682 -31.378 21.201 16.564 1.00 39.90 C ATOM 703 O HIS A1682 -30.652 22.200 16.578 1.00 41.29 O ATOM 704 CB HIS A1682 -30.176 19.947 18.355 1.00 38.29 C ATOM 705 CG HIS A1682 -31.096 20.435 19.432 1.00 39.79 C ATOM 706 ND1 HIS A1682 -31.742 19.584 20.301 1.00 41.56 N ATOM 707 CD2 HIS A1682 -31.496 21.686 19.764 1.00 40.55 C ATOM 708 CE1 HIS A1682 -32.491 20.289 21.131 1.00 43.29 C ATOM 709 NE2 HIS A1682 -32.363 21.567 20.823 1.00 42.73 N ATOM 710 H HIS A1682 -29.335 20.061 15.456 1.00 0.00 H ATOM 711 N GLY A1683 -32.650 21.228 16.184 1.00 41.73 N ATOM 712 CA GLY A1683 -33.329 22.470 15.844 1.00 42.44 C ATOM 713 C GLY A1683 -33.747 23.195 17.103 1.00 43.72 C ATOM 714 O GLY A1683 -34.140 22.568 18.087 1.00 44.69 O ATOM 715 H GLY A1683 -33.178 20.334 16.127 1.00 0.00 H ATOM 716 N THR A1684 -33.648 24.520 17.076 1.00 43.38 N ATOM 717 CA THR A1684 -34.034 25.350 18.209 1.00 44.14 C ATOM 718 C THR A1684 -34.394 26.754 17.741 1.00 45.35 C ATOM 719 O THR A1684 -33.983 27.177 16.656 1.00 45.05 O ATOM 720 CB THR A1684 -32.929 25.406 19.291 1.00 43.13 C ATOM 721 OG1 THR A1684 -33.436 26.058 20.460 1.00 44.60 O ATOM 722 CG2 THR A1684 -31.689 26.148 18.789 1.00 41.41 C ATOM 723 HG1 THR A1684 -33.717 26.978 20.227 1.00 0.00 H ATOM 724 H THR A1684 -33.283 24.979 16.217 1.00 0.00 H ATOM 725 N ASP A1685 -35.170 27.464 18.558 1.00 47.46 N ATOM 726 CA ASP A1685 -35.501 28.871 18.305 1.00 47.86 C ATOM 727 C ASP A1685 -34.274 29.783 18.456 1.00 46.85 C ATOM 728 O ASP A1685 -33.322 29.467 19.187 1.00 45.95 O ATOM 729 CB ASP A1685 -36.619 29.338 19.246 1.00 48.62 C ATOM 730 CG ASP A1685 -36.227 29.249 20.720 1.00 45.45 C ATOM 731 OD1 ASP A1685 -36.641 30.125 21.502 1.00 51.21 O ATOM 732 OD2 ASP A1685 -35.503 28.305 21.104 1.00 50.77 O ATOM 733 H ASP A1685 -35.556 27.004 19.407 1.00 0.00 H ATOM 734 N ALA A1686 -34.314 30.917 17.765 1.00 46.48 N ATOM 735 CA ALA A1686 -33.239 31.903 17.813 1.00 45.14 C ATOM 736 C ALA A1686 -32.913 32.337 19.245 1.00 44.73 C ATOM 737 O ALA A1686 -31.744 32.533 19.584 1.00 43.39 O ATOM 738 CB ALA A1686 -33.595 33.109 16.953 1.00 46.44 C ATOM 739 H ALA A1686 -35.143 31.109 17.167 1.00 0.00 H ATOM 740 N GLY A1687 -33.948 32.468 20.077 1.00 46.02 N ATOM 741 CA GLY A1687 -33.790 32.874 21.471 1.00 47.06 C ATOM 742 C GLY A1687 -32.850 32.000 22.285 1.00 47.18 C ATOM 743 O GLY A1687 -32.290 32.446 23.294 1.00 48.03 O ATOM 744 H GLY A1687 -34.905 32.273 19.719 1.00 0.00 H ATOM 745 N SER A1688 -32.666 30.757 21.837 1.00 46.15 N ATOM 746 CA SER A1688 -31.922 29.755 22.601 1.00 46.12 C ATOM 747 C SER A1688 -30.423 29.744 22.328 1.00 44.31 C ATOM 748 O SER A1688 -29.652 29.141 23.083 1.00 45.79 O ATOM 749 CB SER A1688 -32.499 28.366 22.338 1.00 46.14 C ATOM 750 OG SER A1688 -33.774 28.235 22.936 1.00 48.37 O ATOM 751 HG SER A1688 -34.386 28.914 22.557 1.00 0.00 H ATOM 752 H SER A1688 -33.065 30.491 20.914 1.00 0.00 H ATOM 753 N VAL A1689 -30.022 30.420 21.256 1.00 42.41 N ATOM 754 CA VAL A1689 -28.651 30.362 20.756 1.00 40.24 C ATOM 755 C VAL A1689 -27.586 30.783 21.785 1.00 40.97 C ATOM 756 O VAL A1689 -26.623 30.038 21.991 1.00 40.87 O ATOM 757 CB VAL A1689 -28.514 31.120 19.414 1.00 38.68 C ATOM 758 CG1 VAL A1689 -27.059 31.212 18.974 1.00 36.69 C ATOM 759 CG2 VAL A1689 -29.353 30.434 18.346 1.00 37.98 C ATOM 760 H VAL A1689 -30.712 31.014 20.753 1.00 0.00 H ATOM 761 N PRO A1690 -27.763 31.951 22.454 1.00 42.55 N ATOM 762 CA PRO A1690 -26.767 32.365 23.453 1.00 43.21 C ATOM 763 C PRO A1690 -26.635 31.384 24.627 1.00 45.05 C ATOM 764 O PRO A1690 -25.539 31.225 25.179 1.00 45.07 O ATOM 765 CB PRO A1690 -27.306 33.709 23.954 1.00 44.88 C ATOM 766 CG PRO A1690 -28.264 34.168 22.909 1.00 44.31 C ATOM 767 CD PRO A1690 -28.874 32.918 22.369 1.00 43.28 C ATOM 768 N HIS A1691 -27.743 30.738 24.994 1.00 46.07 N ATOM 769 CA HIS A1691 -27.773 29.752 26.083 1.00 47.30 C ATOM 770 C HIS A1691 -26.992 28.483 25.726 1.00 45.28 C ATOM 771 O HIS A1691 -26.164 28.007 26.512 1.00 46.69 O ATOM 772 CB HIS A1691 -29.222 29.391 26.434 1.00 49.27 C ATOM 773 CG HIS A1691 -29.360 28.551 27.667 1.00 51.65 C ATOM 774 ND1 HIS A1691 -29.139 27.189 27.672 1.00 50.66 N ATOM 775 CD2 HIS A1691 -29.706 28.879 28.935 1.00 54.54 C ATOM 776 CE1 HIS A1691 -29.336 26.716 28.890 1.00 52.71 C ATOM 777 NE2 HIS A1691 -29.682 27.720 29.675 1.00 54.97 N ATOM 778 H HIS A1691 -28.627 30.942 24.485 1.00 0.00 H ATOM 779 N VAL A1692 -27.269 27.941 24.541 1.00 43.14 N ATOM 780 CA VAL A1692 -26.612 26.735 24.061 1.00 40.45 C ATOM 781 C VAL A1692 -25.119 26.986 23.900 1.00 39.43 C ATOM 782 O VAL A1692 -24.304 26.153 24.288 1.00 38.79 O ATOM 783 CB VAL A1692 -27.221 26.256 22.724 1.00 38.67 C ATOM 784 CG1 VAL A1692 -26.359 25.181 22.083 1.00 36.52 C ATOM 785 CG2 VAL A1692 -28.643 25.758 22.932 1.00 39.41 C ATOM 786 H VAL A1692 -27.982 28.397 23.936 1.00 0.00 H ATOM 787 N ASN A1693 -24.771 28.145 23.346 1.00 38.98 N ATOM 788 CA ASN A1693 -23.376 28.501 23.096 1.00 39.01 C ATOM 789 C ASN A1693 -22.483 28.484 24.337 1.00 40.79 C ATOM 790 O ASN A1693 -21.309 28.101 24.262 1.00 40.67 O ATOM 791 CB ASN A1693 -23.294 29.866 22.419 1.00 38.83 C ATOM 792 CG ASN A1693 -23.710 29.826 20.959 1.00 37.44 C ATOM 793 OD1 ASN A1693 -24.060 28.777 20.420 1.00 35.57 O ATOM 794 ND2 ASN A1693 -23.673 30.981 20.312 1.00 37.00 N ATOM 795 HD22 ASN A1693 -23.371 31.845 20.806 1.00 0.00 H ATOM 796 HD21 ASN A1693 -23.946 31.024 19.309 1.00 0.00 H ATOM 797 H ASN A1693 -25.517 28.820 23.082 1.00 0.00 H ATOM 798 N ARG A1694 -23.044 28.897 25.472 1.00 43.30 N ATOM 799 CA ARG A1694 -22.304 28.950 26.720 1.00 45.96 C ATOM 800 C ARG A1694 -22.488 27.675 27.533 1.00 45.59 C ATOM 801 O ARG A1694 -21.523 27.131 28.065 1.00 46.73 O ATOM 802 CB ARG A1694 -22.727 30.177 27.534 1.00 49.40 C ATOM 803 CG ARG A1694 -22.202 30.195 28.967 1.00 54.17 C ATOM 804 CD ARG A1694 -22.411 31.542 29.645 1.00 58.53 C ATOM 805 NE ARG A1694 -21.635 32.607 29.007 1.00 60.22 N ATOM 806 CZ ARG A1694 -20.311 32.738 29.088 1.00 60.52 C ATOM 807 NH1 ARG A1694 -19.578 31.870 29.781 1.00 59.26 N ATOM 808 NH2 ARG A1694 -19.714 33.744 28.466 1.00 61.94 N ATOM 809 HE ARG A1694 -22.155 33.314 28.449 1.00 0.00 H ATOM 810 HH12 ARG A1694 -18.546 31.987 29.834 1.00 0.00 H ATOM 811 HH11 ARG A1694 -20.037 31.075 30.269 1.00 0.00 H ATOM 812 HH22 ARG A1694 -18.681 33.852 28.525 1.00 0.00 H ATOM 813 HH21 ARG A1694 -20.278 34.425 27.919 1.00 0.00 H ATOM 814 H ARG A1694 -24.042 29.190 25.464 1.00 0.00 H ATOM 815 N ASN A1695 -23.727 27.196 27.615 1.00 45.93 N ATOM 816 CA ASN A1695 -24.084 26.108 28.527 1.00 48.19 C ATOM 817 C ASN A1695 -24.139 24.709 27.907 1.00 47.34 C ATOM 818 O ASN A1695 -24.179 23.709 28.636 1.00 50.98 O ATOM 819 CB ASN A1695 -25.428 26.411 29.193 1.00 49.39 C ATOM 820 CG ASN A1695 -25.478 27.796 29.799 1.00 50.98 C ATOM 821 OD1 ASN A1695 -24.591 28.186 30.559 1.00 52.27 O ATOM 822 ND2 ASN A1695 -26.517 28.548 29.466 1.00 51.03 N ATOM 823 HD22 ASN A1695 -27.242 28.176 28.820 1.00 0.00 H ATOM 824 HD21 ASN A1695 -26.607 29.510 29.851 1.00 0.00 H ATOM 825 H ASN A1695 -24.466 27.608 27.011 1.00 0.00 H ATOM 826 N GLY A1696 -24.137 24.634 26.575 1.00 44.46 N ATOM 827 CA GLY A1696 -24.411 23.379 25.881 1.00 42.22 C ATOM 828 C GLY A1696 -25.869 22.999 26.071 1.00 43.67 C ATOM 829 O GLY A1696 -26.738 23.870 26.150 1.00 43.05 O ATOM 830 H GLY A1696 -23.936 25.489 26.018 1.00 0.00 H ATOM 831 N PHE A1697 -26.141 21.699 26.162 1.00 44.44 N ATOM 832 CA PHE A1697 -27.510 21.226 26.352 1.00 45.50 C ATOM 833 C PHE A1697 -27.729 20.705 27.782 1.00 49.42 C ATOM 834 O PHE A1697 -28.015 19.529 27.998 1.00 51.50 O ATOM 835 CB PHE A1697 -27.867 20.181 25.284 1.00 43.34 C ATOM 836 CG PHE A1697 -27.798 20.701 23.862 1.00 39.88 C ATOM 837 CD1 PHE A1697 -28.892 21.345 23.282 1.00 39.07 C ATOM 838 CD2 PHE A1697 -26.642 20.534 23.096 1.00 36.83 C ATOM 839 CE1 PHE A1697 -28.829 21.810 21.980 1.00 36.81 C ATOM 840 CE2 PHE A1697 -26.578 21.000 21.793 1.00 34.49 C ATOM 841 CZ PHE A1697 -27.670 21.639 21.236 1.00 34.86 C ATOM 842 H PHE A1697 -25.366 21.009 26.097 1.00 0.00 H ATOM 843 N ASN A1698 -27.596 21.610 28.750 1.00 52.86 N ATOM 844 CA ASN A1698 -27.682 21.291 30.177 1.00 56.54 C ATOM 845 C ASN A1698 -29.116 21.260 30.721 1.00 59.74 C ATOM 846 O ASN A1698 -30.076 21.480 29.978 1.00 61.61 O ATOM 847 CB ASN A1698 -26.830 22.292 30.984 1.00 58.67 C ATOM 848 CG ASN A1698 -27.524 23.642 31.202 1.00 60.09 C ATOM 849 OD1 ASN A1698 -27.203 24.362 32.152 1.00 64.59 O ATOM 850 ND2 ASN A1698 -28.473 23.989 30.333 1.00 57.17 N ATOM 851 HD22 ASN A1698 -28.714 23.354 29.545 1.00 0.00 H ATOM 852 HD21 ASN A1698 -28.972 24.895 30.442 1.00 0.00 H ATOM 853 H ASN A1698 -27.421 22.598 28.477 1.00 0.00 H ATOM 854 N ARG A1699 -29.248 21.000 32.023 1.00 62.31 N ATOM 855 CA ARG A1699 -30.533 21.102 32.716 1.00 64.33 C ATOM 856 C ARG A1699 -30.785 22.539 33.191 1.00 64.94 C ATOM 857 O ARG A1699 -31.058 23.441 32.389 1.00 63.14 O ATOM 858 CB ARG A1699 -30.580 20.133 33.889 1.00 65.16 C ATOM 859 H ARG A1699 -28.407 20.715 32.565 1.00 0.00 H TER 860 ARG A1699 ATOM 861 N GLY A1712 -34.636 14.862 29.148 1.00 53.25 N ATOM 862 CA GLY A1712 -33.415 14.827 28.348 1.00 51.53 C ATOM 863 C GLY A1712 -33.502 15.649 27.070 1.00 49.88 C ATOM 864 O GLY A1712 -34.552 16.225 26.770 1.00 52.04 O ATOM 865 HN3 GLY A1712 -35.427 14.485 28.588 1.00 0.00 H ATOM 866 HN2 GLY A1712 -34.841 15.844 29.422 1.00 0.00 H ATOM 867 HN1 GLY A1712 -34.506 14.282 30.002 1.00 0.00 H ATOM 868 N THR A1713 -32.400 15.698 26.315 1.00 47.46 N ATOM 869 CA THR A1713 -32.327 16.460 25.059 1.00 46.29 C ATOM 870 C THR A1713 -32.304 15.541 23.828 1.00 46.02 C ATOM 871 O THR A1713 -31.499 14.610 23.757 1.00 47.17 O ATOM 872 CB THR A1713 -31.084 17.383 25.023 1.00 44.48 C ATOM 873 OG1 THR A1713 -31.009 18.150 26.231 1.00 45.68 O ATOM 874 CG2 THR A1713 -31.146 18.337 23.839 1.00 42.97 C ATOM 875 HG1 THR A1713 -30.939 17.538 27.006 1.00 0.00 H ATOM 876 H THR A1713 -31.558 15.175 26.629 1.00 0.00 H ATOM 877 N TYR A1714 -33.178 15.828 22.861 1.00 46.06 N ATOM 878 CA TYR A1714 -33.303 15.035 21.633 1.00 45.14 C ATOM 879 C TYR A1714 -32.379 15.528 20.521 1.00 43.50 C ATOM 880 O TYR A1714 -32.118 16.729 20.395 1.00 43.42 O ATOM 881 CB TYR A1714 -34.745 15.063 21.121 1.00 46.81 C ATOM 882 CG TYR A1714 -35.749 14.351 22.004 1.00 49.95 C ATOM 883 CD1 TYR A1714 -36.336 13.147 21.597 1.00 51.44 C ATOM 884 CD2 TYR A1714 -36.124 14.882 23.244 1.00 51.41 C ATOM 885 CE1 TYR A1714 -37.259 12.492 22.401 1.00 53.76 C ATOM 886 CE2 TYR A1714 -37.041 14.232 24.054 1.00 54.10 C ATOM 887 CZ TYR A1714 -37.600 13.041 23.628 1.00 55.09 C ATOM 888 OH TYR A1714 -38.509 12.401 24.432 1.00 59.13 O ATOM 889 HH TYR A1714 -38.813 11.570 23.988 1.00 0.00 H ATOM 890 H TYR A1714 -33.800 16.653 22.984 1.00 0.00 H ATOM 891 N PHE A1715 -31.895 14.585 19.716 1.00 42.16 N ATOM 892 CA PHE A1715 -31.061 14.877 18.556 1.00 39.91 C ATOM 893 C PHE A1715 -31.486 13.994 17.389 1.00 40.94 C ATOM 894 O PHE A1715 -31.885 12.848 17.591 1.00 42.35 O ATOM 895 CB PHE A1715 -29.588 14.642 18.878 1.00 38.11 C ATOM 896 CG PHE A1715 -29.083 15.467 20.019 1.00 38.13 C ATOM 897 CD1 PHE A1715 -28.602 16.747 19.805 1.00 37.05 C ATOM 898 CD2 PHE A1715 -29.093 14.963 21.312 1.00 39.46 C ATOM 899 CE1 PHE A1715 -28.135 17.509 20.858 1.00 37.63 C ATOM 900 CE2 PHE A1715 -28.631 15.722 22.373 1.00 40.19 C ATOM 901 CZ PHE A1715 -28.149 16.997 22.144 1.00 39.33 C ATOM 902 H PHE A1715 -32.123 13.592 19.924 1.00 0.00 H ATOM 903 N ALA A1716 -31.402 14.531 16.175 1.00 40.44 N ATOM 904 CA ALA A1716 -31.833 13.810 14.979 1.00 41.18 C ATOM 905 C ALA A1716 -30.645 13.328 14.163 1.00 40.88 C ATOM 906 O ALA A1716 -29.599 13.982 14.121 1.00 40.40 O ATOM 907 CB ALA A1716 -32.727 14.691 14.125 1.00 41.88 C ATOM 908 H ALA A1716 -31.018 15.492 16.074 1.00 0.00 H ATOM 909 N VAL A1717 -30.812 12.179 13.518 1.00 42.55 N ATOM 910 CA VAL A1717 -29.813 11.661 12.590 1.00 41.96 C ATOM 911 C VAL A1717 -29.839 12.498 11.312 1.00 41.53 C ATOM 912 O VAL A1717 -28.792 12.912 10.812 1.00 41.16 O ATOM 913 CB VAL A1717 -30.073 10.173 12.256 1.00 42.73 C ATOM 914 CG1 VAL A1717 -29.096 9.671 11.202 1.00 41.91 C ATOM 915 CG2 VAL A1717 -29.995 9.326 13.518 1.00 42.94 C ATOM 916 H VAL A1717 -31.682 11.632 13.680 1.00 0.00 H ATOM 917 N ASN A1718 -31.045 12.753 10.806 1.00 43.02 N ATOM 918 CA ASN A1718 -31.236 13.504 9.569 1.00 44.64 C ATOM 919 C ASN A1718 -31.703 14.922 9.840 1.00 44.50 C ATOM 920 O ASN A1718 -32.587 15.134 10.667 1.00 46.37 O ATOM 921 CB ASN A1718 -32.235 12.783 8.659 1.00 47.16 C ATOM 922 CG ASN A1718 -31.710 11.453 8.147 1.00 47.75 C ATOM 923 OD1 ASN A1718 -30.505 11.188 8.172 1.00 48.09 O ATOM 924 ND2 ASN A1718 -32.614 10.609 7.674 1.00 50.38 N ATOM 925 HD22 ASN A1718 -33.620 10.872 7.671 1.00 0.00 H ATOM 926 HD21 ASN A1718 -32.318 9.683 7.305 1.00 0.00 H ATOM 927 H ASN A1718 -31.883 12.403 11.312 1.00 0.00 H ATOM 928 N ALA A1719 -31.114 15.884 9.129 1.00 44.94 N ATOM 929 CA ALA A1719 -31.369 17.313 9.355 1.00 45.06 C ATOM 930 C ALA A1719 -32.833 17.723 9.225 1.00 46.96 C ATOM 931 O ALA A1719 -33.315 18.551 10.007 1.00 48.34 O ATOM 932 CB ALA A1719 -30.502 18.160 8.435 1.00 45.19 C ATOM 933 H ALA A1719 -30.445 15.611 8.382 1.00 0.00 H ATOM 934 N ASN A1720 -33.535 17.137 8.253 1.00 49.06 N ATOM 935 CA ASN A1720 -34.912 17.534 7.944 1.00 51.62 C ATOM 936 C ASN A1720 -35.878 17.362 9.104 1.00 53.29 C ATOM 937 O ASN A1720 -36.881 18.069 9.191 1.00 56.78 O ATOM 938 CB ASN A1720 -35.434 16.834 6.680 1.00 53.76 C ATOM 939 CG ASN A1720 -35.559 15.326 6.838 1.00 53.87 C ATOM 940 OD1 ASN A1720 -34.807 14.690 7.579 1.00 53.87 O ATOM 941 ND2 ASN A1720 -36.506 14.744 6.116 1.00 55.89 N ATOM 942 HD22 ASN A1720 -37.119 15.318 5.503 1.00 0.00 H ATOM 943 HD21 ASN A1720 -36.636 13.713 6.162 1.00 0.00 H ATOM 944 H ASN A1720 -33.092 16.377 7.699 1.00 0.00 H ATOM 945 N TYR A1721 -35.560 16.431 9.996 1.00 53.00 N ATOM 946 CA TYR A1721 -36.345 16.202 11.200 1.00 55.25 C ATOM 947 C TYR A1721 -36.250 17.406 12.146 1.00 52.84 C ATOM 948 O TYR A1721 -37.257 17.842 12.715 1.00 53.83 O ATOM 949 CB TYR A1721 -35.852 14.940 11.905 1.00 56.86 C ATOM 950 CG TYR A1721 -36.904 13.873 12.053 1.00 64.25 C ATOM 951 CD1 TYR A1721 -38.073 14.117 12.781 1.00 68.92 C ATOM 952 CD2 TYR A1721 -36.731 12.615 11.470 1.00 65.67 C ATOM 953 CE1 TYR A1721 -39.045 13.139 12.924 1.00 77.24 C ATOM 954 CE2 TYR A1721 -37.697 11.625 11.605 1.00 75.17 C ATOM 955 CZ TYR A1721 -38.853 11.892 12.333 1.00 80.13 C ATOM 956 OH TYR A1721 -39.823 10.922 12.477 1.00 92.76 O ATOM 957 HH TYR A1721 -40.569 11.281 13.020 1.00 0.00 H ATOM 958 H TYR A1721 -34.718 15.843 9.828 1.00 0.00 H ATOM 959 N SER A1722 -35.036 17.936 12.298 1.00 49.26 N ATOM 960 CA SER A1722 -34.780 19.083 13.167 1.00 47.83 C ATOM 961 C SER A1722 -35.215 20.386 12.503 1.00 47.61 C ATOM 962 O SER A1722 -35.275 21.434 13.151 1.00 46.15 O ATOM 963 CB SER A1722 -33.296 19.153 13.532 1.00 44.92 C ATOM 964 OG SER A1722 -32.931 18.098 14.399 1.00 42.67 O ATOM 965 HG SER A1722 -33.464 18.157 15.231 1.00 0.00 H ATOM 966 H SER A1722 -34.239 17.516 11.777 1.00 0.00 H ATOM 967 N ALA A1723 -35.512 20.303 11.207 1.00 50.00 N ATOM 968 CA ALA A1723 -35.945 21.447 10.410 1.00 51.19 C ATOM 969 C ALA A1723 -37.444 21.734 10.574 1.00 54.88 C ATOM 970 O ALA A1723 -37.957 22.722 10.041 1.00 56.11 O ATOM 971 CB ALA A1723 -35.587 21.232 8.945 1.00 50.10 C ATOM 972 H ALA A1723 -35.431 19.377 10.740 1.00 0.00 H ATOM 973 N ASN A1724 -38.138 20.866 11.308 1.00 56.74 N ATOM 974 CA ASN A1724 -39.543 21.081 11.647 1.00 61.42 C ATOM 975 C ASN A1724 -39.712 22.390 12.423 1.00 59.95 C ATOM 976 O ASN A1724 -38.931 22.691 13.331 1.00 56.77 O ATOM 977 CB ASN A1724 -40.092 19.881 12.435 1.00 65.53 C ATOM 978 CG ASN A1724 -41.553 20.047 12.836 1.00 73.16 C ATOM 979 OD1 ASN A1724 -41.897 20.899 13.662 1.00 75.32 O ATOM 980 ND2 ASN A1724 -42.417 19.214 12.269 1.00 78.94 N ATOM 981 HD22 ASN A1724 -42.085 18.511 11.578 1.00 0.00 H ATOM 982 HD21 ASN A1724 -43.426 19.264 12.516 1.00 0.00 H ATOM 983 H ASN A1724 -37.664 20.006 11.651 1.00 0.00 H ATOM 984 N ASP A1725 -40.738 23.156 12.053 1.00 62.74 N ATOM 985 CA ASP A1725 -40.973 24.495 12.609 1.00 63.41 C ATOM 986 C ASP A1725 -41.221 24.538 14.122 1.00 65.08 C ATOM 987 O ASP A1725 -41.091 25.598 14.742 1.00 67.02 O ATOM 988 CB ASP A1725 -42.122 25.194 11.866 1.00 67.31 C ATOM 989 CG ASP A1725 -41.690 25.789 10.525 1.00 66.12 C ATOM 990 OD1 ASP A1725 -42.572 26.252 9.773 1.00 69.05 O ATOM 991 OD2 ASP A1725 -40.481 25.807 10.216 1.00 63.94 O ATOM 992 H ASP A1725 -41.401 22.790 11.340 1.00 0.00 H ATOM 993 N THR A1726 -41.570 23.393 14.708 1.00 65.42 N ATOM 994 CA THR A1726 -41.837 23.314 16.142 1.00 65.07 C ATOM 995 C THR A1726 -40.543 23.321 16.942 1.00 62.51 C ATOM 996 O THR A1726 -40.531 23.716 18.113 1.00 64.05 O ATOM 997 CB THR A1726 -42.632 22.052 16.512 1.00 66.99 C ATOM 998 OG1 THR A1726 -43.518 21.712 15.441 1.00 70.83 O ATOM 999 CG2 THR A1726 -43.437 22.285 17.785 1.00 68.27 C ATOM 1000 HG1 THR A1726 -42.991 21.541 14.620 1.00 0.00 H ATOM 1001 H THR A1726 -41.654 22.533 14.129 1.00 0.00 H ATOM 1002 N TYR A1727 -39.458 22.879 16.311 1.00 59.68 N ATOM 1003 CA TYR A1727 -38.159 22.845 16.974 1.00 58.72 C ATOM 1004 C TYR A1727 -37.360 24.094 16.633 1.00 56.70 C ATOM 1005 O TYR A1727 -37.039 24.896 17.515 1.00 58.74 O ATOM 1006 CB TYR A1727 -37.387 21.566 16.621 1.00 58.18 C ATOM 1007 CG TYR A1727 -38.198 20.295 16.780 1.00 60.84 C ATOM 1008 CD1 TYR A1727 -38.920 20.044 17.952 1.00 61.76 C ATOM 1009 CD2 TYR A1727 -38.244 19.339 15.757 1.00 60.30 C ATOM 1010 CE1 TYR A1727 -39.666 18.885 18.096 1.00 62.66 C ATOM 1011 CE2 TYR A1727 -38.986 18.176 15.893 1.00 60.38 C ATOM 1012 CZ TYR A1727 -39.689 17.955 17.065 1.00 61.44 C ATOM 1013 OH TYR A1727 -40.425 16.808 17.211 1.00 62.56 O ATOM 1014 HH TYR A1727 -40.861 16.808 18.100 1.00 0.00 H ATOM 1015 H TYR A1727 -39.538 22.552 15.327 1.00 0.00 H ATOM 1016 N SER A1728 -37.065 24.265 15.348 1.00 53.92 N ATOM 1017 CA SER A1728 -36.377 25.453 14.869 1.00 51.26 C ATOM 1018 C SER A1728 -37.387 26.440 14.294 1.00 53.31 C ATOM 1019 O SER A1728 -37.591 26.485 13.079 1.00 53.77 O ATOM 1020 CB SER A1728 -35.344 25.067 13.814 1.00 47.18 C ATOM 1021 OG SER A1728 -35.943 24.277 12.807 1.00 45.99 O ATOM 1022 HG SER A1728 -36.670 24.791 12.375 1.00 0.00 H ATOM 1023 H SER A1728 -37.334 23.528 14.666 1.00 0.00 H ATOM 1024 N ARG A1729 -38.026 27.214 15.175 1.00 55.31 N ATOM 1025 CA ARG A1729 -38.999 28.236 14.762 1.00 56.54 C ATOM 1026 C ARG A1729 -38.365 29.296 13.868 1.00 55.16 C ATOM 1027 O ARG A1729 -37.240 29.718 14.126 1.00 52.53 O ATOM 1028 CB ARG A1729 -39.624 28.932 15.976 1.00 59.29 C ATOM 1029 CG ARG A1729 -40.444 30.161 15.594 1.00 62.81 C ATOM 1030 CD ARG A1729 -40.769 31.084 16.756 1.00 66.31 C ATOM 1031 NE ARG A1729 -41.700 30.445 17.676 1.00 69.46 N ATOM 1032 CZ ARG A1729 -41.352 29.907 18.839 1.00 64.81 C ATOM 1033 NH1 ARG A1729 -40.085 29.944 19.253 1.00 59.62 N ATOM 1034 NH2 ARG A1729 -42.287 29.337 19.590 1.00 66.05 N ATOM 1035 HE ARG A1729 -42.703 30.408 17.404 1.00 0.00 H ATOM 1036 HH12 ARG A1729 -39.824 29.519 20.166 1.00 0.00 H ATOM 1037 HH11 ARG A1729 -39.358 30.397 18.663 1.00 0.00 H ATOM 1038 HH22 ARG A1729 -42.032 28.911 20.504 1.00 0.00 H ATOM 1039 HH21 ARG A1729 -43.275 29.317 19.265 1.00 0.00 H ATOM 1040 H ARG A1729 -37.828 27.090 16.188 1.00 0.00 H ATOM 1041 N PRO A1730 -39.084 29.724 12.810 1.00 56.82 N ATOM 1042 CA PRO A1730 -38.673 30.911 12.047 1.00 57.50 C ATOM 1043 C PRO A1730 -38.762 32.191 12.888 1.00 57.91 C ATOM 1044 O PRO A1730 -39.823 32.483 13.447 1.00 60.83 O ATOM 1045 CB PRO A1730 -39.688 30.967 10.895 1.00 59.60 C ATOM 1046 CG PRO A1730 -40.227 29.582 10.782 1.00 59.53 C ATOM 1047 CD PRO A1730 -40.213 29.021 12.173 1.00 58.41 C ATOM 1048 N ASP A1731 -37.656 32.933 12.981 1.00 56.37 N ATOM 1049 CA ASP A1731 -37.635 34.228 13.668 1.00 56.78 C ATOM 1050 C ASP A1731 -38.418 35.268 12.861 1.00 59.17 C ATOM 1051 O ASP A1731 -39.031 34.928 11.842 1.00 60.57 O ATOM 1052 CB ASP A1731 -36.190 34.694 13.924 1.00 55.40 C ATOM 1053 CG ASP A1731 -35.432 35.067 12.638 1.00 54.93 C ATOM 1054 OD1 ASP A1731 -36.013 35.035 11.530 1.00 56.68 O ATOM 1055 OD2 ASP A1731 -34.233 35.401 12.743 1.00 53.90 O ATOM 1056 H ASP A1731 -36.778 32.580 12.551 1.00 0.00 H ATOM 1057 N ALA A1732 -38.388 36.529 13.296 1.00 58.94 N ATOM 1058 CA ALA A1732 -39.129 37.598 12.611 1.00 59.05 C ATOM 1059 C ALA A1732 -38.830 37.716 11.099 1.00 58.73 C ATOM 1060 O ALA A1732 -39.638 38.262 10.344 1.00 59.55 O ATOM 1061 CB ALA A1732 -38.916 38.929 13.316 1.00 58.69 C ATOM 1062 H ALA A1732 -37.827 36.761 14.140 1.00 0.00 H ATOM 1063 N ASN A1733 -37.688 37.182 10.665 1.00 57.27 N ATOM 1064 CA ASN A1733 -37.252 37.292 9.267 1.00 57.72 C ATOM 1065 C ASN A1733 -37.356 35.990 8.456 1.00 58.20 C ATOM 1066 O ASN A1733 -36.909 35.921 7.309 1.00 58.62 O ATOM 1067 CB ASN A1733 -35.821 37.833 9.217 1.00 56.16 C ATOM 1068 CG ASN A1733 -35.640 39.071 10.072 1.00 55.31 C ATOM 1069 OD1 ASN A1733 -36.007 40.171 9.670 1.00 56.13 O ATOM 1070 ND2 ASN A1733 -35.076 38.892 11.265 1.00 55.41 N ATOM 1071 HD22 ASN A1733 -34.781 37.940 11.563 1.00 0.00 H ATOM 1072 HD21 ASN A1733 -34.931 39.704 11.899 1.00 0.00 H ATOM 1073 H ASN A1733 -37.085 36.670 11.340 1.00 0.00 H ATOM 1074 N GLY A1734 -37.955 34.965 9.055 1.00 59.54 N ATOM 1075 CA GLY A1734 -38.080 33.655 8.413 1.00 59.09 C ATOM 1076 C GLY A1734 -36.848 32.779 8.575 1.00 57.10 C ATOM 1077 O GLY A1734 -36.724 31.751 7.909 1.00 55.57 O ATOM 1078 H GLY A1734 -38.347 35.098 10.009 1.00 0.00 H ATOM 1079 N ARG A1735 -35.945 33.182 9.468 1.00 55.80 N ATOM 1080 CA ARG A1735 -34.683 32.477 9.674 1.00 54.09 C ATOM 1081 C ARG A1735 -34.801 31.363 10.709 1.00 53.48 C ATOM 1082 O ARG A1735 -35.353 31.565 11.796 1.00 55.01 O ATOM 1083 CB ARG A1735 -33.569 33.451 10.062 1.00 55.17 C ATOM 1084 CG ARG A1735 -33.112 34.345 8.922 1.00 57.42 C ATOM 1085 CD ARG A1735 -31.744 34.943 9.191 1.00 57.67 C ATOM 1086 NE ARG A1735 -31.823 36.234 9.860 1.00 63.91 N ATOM 1087 CZ ARG A1735 -31.730 36.413 11.177 1.00 69.09 C ATOM 1088 NH1 ARG A1735 -31.552 35.375 11.993 1.00 68.08 N ATOM 1089 NH2 ARG A1735 -31.818 37.641 11.681 1.00 73.35 N ATOM 1090 HE ARG A1735 -31.962 37.077 9.267 1.00 0.00 H ATOM 1091 HH12 ARG A1735 -31.481 35.527 13.019 1.00 0.00 H ATOM 1092 HH11 ARG A1735 -31.484 34.413 11.604 1.00 0.00 H ATOM 1093 HH22 ARG A1735 -31.746 37.788 12.708 1.00 0.00 H ATOM 1094 HH21 ARG A1735 -31.959 38.454 11.048 1.00 0.00 H ATOM 1095 H ARG A1735 -36.146 34.028 10.038 1.00 0.00 H ATOM 1096 N LYS A1736 -34.264 30.195 10.350 1.00 51.44 N ATOM 1097 CA LYS A1736 -34.345 28.982 11.161 1.00 49.43 C ATOM 1098 C LYS A1736 -32.958 28.527 11.615 1.00 46.40 C ATOM 1099 O LYS A1736 -31.973 28.712 10.888 1.00 45.43 O ATOM 1100 CB LYS A1736 -35.025 27.869 10.367 1.00 50.05 C ATOM 1101 CG LYS A1736 -36.498 28.114 10.077 1.00 52.66 C ATOM 1102 CD LYS A1736 -37.013 27.249 8.930 1.00 53.91 C ATOM 1103 CE LYS A1736 -37.076 25.766 9.275 1.00 53.97 C ATOM 1104 NZ LYS A1736 -37.850 25.473 10.515 1.00 54.46 N ATOM 1105 HZ1 LYS A1736 -37.409 25.961 11.321 1.00 0.00 H ATOM 1106 HZ2 LYS A1736 -38.828 25.807 10.399 1.00 0.00 H ATOM 1107 HZ3 LYS A1736 -37.851 24.447 10.688 1.00 0.00 H ATOM 1108 H LYS A1736 -33.759 30.145 9.442 1.00 0.00 H ATOM 1109 N HIS A1737 -32.892 27.924 12.804 1.00 44.18 N ATOM 1110 CA HIS A1737 -31.618 27.581 13.446 1.00 42.26 C ATOM 1111 C HIS A1737 -31.500 26.112 13.871 1.00 42.00 C ATOM 1112 O HIS A1737 -32.271 25.620 14.704 1.00 44.13 O ATOM 1113 CB HIS A1737 -31.375 28.484 14.654 1.00 41.65 C ATOM 1114 CG HIS A1737 -31.467 29.944 14.344 1.00 41.64 C ATOM 1115 ND1 HIS A1737 -32.666 30.577 14.101 1.00 43.25 N ATOM 1116 CD2 HIS A1737 -30.511 30.895 14.238 1.00 41.05 C ATOM 1117 CE1 HIS A1737 -32.445 31.856 13.856 1.00 43.08 C ATOM 1118 NE2 HIS A1737 -31.145 32.074 13.932 1.00 41.66 N ATOM 1119 H HIS A1737 -33.778 27.688 13.295 1.00 0.00 H ATOM 1120 N VAL A1738 -30.519 25.422 13.297 1.00 40.28 N ATOM 1121 CA VAL A1738 -30.251 24.026 13.620 1.00 39.90 C ATOM 1122 C VAL A1738 -28.771 23.868 13.960 1.00 37.29 C ATOM 1123 O VAL A1738 -27.905 24.253 13.173 1.00 38.46 O ATOM 1124 CB VAL A1738 -30.634 23.092 12.446 1.00 40.87 C ATOM 1125 CG1 VAL A1738 -30.063 21.693 12.643 1.00 41.12 C ATOM 1126 CG2 VAL A1738 -32.145 23.024 12.282 1.00 42.70 C ATOM 1127 H VAL A1738 -29.920 25.896 12.591 1.00 0.00 H ATOM 1128 N TYR A1739 -28.490 23.321 15.140 1.00 35.90 N ATOM 1129 CA TYR A1739 -27.127 23.013 15.548 1.00 34.54 C ATOM 1130 C TYR A1739 -26.685 21.661 14.988 1.00 34.68 C ATOM 1131 O TYR A1739 -27.496 20.744 14.852 1.00 35.35 O ATOM 1132 CB TYR A1739 -27.036 22.959 17.070 1.00 34.32 C ATOM 1133 CG TYR A1739 -26.900 24.293 17.785 1.00 33.44 C ATOM 1134 CD1 TYR A1739 -25.646 24.874 17.986 1.00 32.19 C ATOM 1135 CD2 TYR A1739 -28.018 24.946 18.298 1.00 33.88 C ATOM 1136 CE1 TYR A1739 -25.511 26.075 18.656 1.00 31.99 C ATOM 1137 CE2 TYR A1739 -27.895 26.152 18.969 1.00 34.19 C ATOM 1138 CZ TYR A1739 -26.640 26.713 19.143 1.00 33.37 C ATOM 1139 OH TYR A1739 -26.510 27.907 19.814 1.00 33.91 O ATOM 1140 HH TYR A1739 -25.554 28.163 19.848 1.00 0.00 H ATOM 1141 H TYR A1739 -29.271 23.106 15.793 1.00 0.00 H ATOM 1142 N TYR A1740 -25.396 21.543 14.674 1.00 34.28 N ATOM 1143 CA TYR A1740 -24.797 20.274 14.267 1.00 34.20 C ATOM 1144 C TYR A1740 -23.847 19.826 15.375 1.00 34.47 C ATOM 1145 O TYR A1740 -22.756 20.377 15.543 1.00 33.46 O ATOM 1146 CB TYR A1740 -24.085 20.420 12.925 1.00 33.72 C ATOM 1147 CG TYR A1740 -23.670 19.118 12.273 1.00 34.26 C ATOM 1148 CD1 TYR A1740 -24.492 17.985 12.319 1.00 35.51 C ATOM 1149 CD2 TYR A1740 -22.461 19.024 11.585 1.00 33.71 C ATOM 1150 CE1 TYR A1740 -24.109 16.795 11.713 1.00 36.26 C ATOM 1151 CE2 TYR A1740 -22.071 17.845 10.976 1.00 34.74 C ATOM 1152 CZ TYR A1740 -22.894 16.735 11.041 1.00 35.81 C ATOM 1153 OH TYR A1740 -22.496 15.567 10.431 1.00 37.76 O ATOM 1154 HH TYR A1740 -23.188 14.873 10.567 1.00 0.00 H ATOM 1155 H TYR A1740 -24.792 22.388 14.720 1.00 0.00 H ATOM 1156 N VAL A1741 -24.289 18.817 16.125 1.00 35.91 N ATOM 1157 CA VAL A1741 -23.764 18.518 17.457 1.00 37.93 C ATOM 1158 C VAL A1741 -22.944 17.224 17.509 1.00 37.63 C ATOM 1159 O VAL A1741 -23.351 16.206 16.957 1.00 37.98 O ATOM 1160 CB VAL A1741 -24.923 18.430 18.489 1.00 39.59 C ATOM 1161 CG1 VAL A1741 -24.401 18.528 19.912 1.00 40.22 C ATOM 1162 CG2 VAL A1741 -25.955 19.529 18.258 1.00 39.47 C ATOM 1163 H VAL A1741 -25.045 18.212 15.744 1.00 0.00 H ATOM 1164 N ARG A1742 -21.788 17.280 18.170 1.00 37.30 N ATOM 1165 CA ARG A1742 -21.022 16.083 18.523 1.00 37.50 C ATOM 1166 C ARG A1742 -21.628 15.486 19.779 1.00 38.50 C ATOM 1167 O ARG A1742 -21.491 16.053 20.863 1.00 39.36 O ATOM 1168 CB ARG A1742 -19.553 16.420 18.790 1.00 37.51 C ATOM 1169 CG ARG A1742 -18.809 16.901 17.567 1.00 40.79 C ATOM 1170 CD ARG A1742 -17.308 16.888 17.775 1.00 43.94 C ATOM 1171 NE ARG A1742 -16.620 17.017 16.492 1.00 51.61 N ATOM 1172 CZ ARG A1742 -16.325 15.996 15.690 1.00 55.38 C ATOM 1173 NH1 ARG A1742 -16.635 14.756 16.037 1.00 54.81 N ATOM 1174 NH2 ARG A1742 -15.707 16.216 14.537 1.00 65.41 N ATOM 1175 HE ARG A1742 -16.342 17.971 16.185 1.00 0.00 H ATOM 1176 HH12 ARG A1742 -16.401 13.965 15.404 1.00 0.00 H ATOM 1177 HH11 ARG A1742 -17.113 14.573 16.942 1.00 0.00 H ATOM 1178 HH22 ARG A1742 -15.476 15.419 13.910 1.00 0.00 H ATOM 1179 HH21 ARG A1742 -15.453 17.186 14.260 1.00 0.00 H ATOM 1180 H ARG A1742 -21.415 18.211 18.446 1.00 0.00 H ATOM 1181 N VAL A1743 -22.305 14.350 19.632 1.00 36.98 N ATOM 1182 CA VAL A1743 -22.991 13.707 20.754 1.00 36.57 C ATOM 1183 C VAL A1743 -22.351 12.362 21.101 1.00 36.48 C ATOM 1184 O VAL A1743 -22.007 11.578 20.214 1.00 35.65 O ATOM 1185 CB VAL A1743 -24.496 13.536 20.468 1.00 37.10 C ATOM 1186 CG1 VAL A1743 -25.219 12.964 21.678 1.00 38.72 C ATOM 1187 CG2 VAL A1743 -25.115 14.869 20.089 1.00 36.22 C ATOM 1188 H VAL A1743 -22.348 13.906 18.693 1.00 0.00 H ATOM 1189 N LEU A1744 -22.175 12.113 22.396 1.00 36.40 N ATOM 1190 CA LEU A1744 -21.644 10.836 22.867 1.00 36.51 C ATOM 1191 C LEU A1744 -22.763 9.814 23.065 1.00 36.50 C ATOM 1192 O LEU A1744 -23.272 9.621 24.179 1.00 37.36 O ATOM 1193 CB LEU A1744 -20.800 11.018 24.133 1.00 37.34 C ATOM 1194 CG LEU A1744 -19.515 11.820 23.891 1.00 37.08 C ATOM 1195 CD1 LEU A1744 -18.834 12.173 25.204 1.00 39.33 C ATOM 1196 CD2 LEU A1744 -18.545 11.102 22.960 1.00 35.85 C ATOM 1197 H LEU A1744 -22.422 12.846 23.091 1.00 0.00 H ATOM 1198 N THR A1745 -23.139 9.175 21.958 1.00 36.28 N ATOM 1199 CA THR A1745 -24.222 8.192 21.941 1.00 37.45 C ATOM 1200 C THR A1745 -23.859 6.906 22.684 1.00 37.86 C ATOM 1201 O THR A1745 -24.702 6.320 23.361 1.00 39.35 O ATOM 1202 CB THR A1745 -24.659 7.844 20.499 1.00 36.70 C ATOM 1203 OG1 THR A1745 -23.506 7.751 19.656 1.00 36.03 O ATOM 1204 CG2 THR A1745 -25.588 8.911 19.952 1.00 37.12 C ATOM 1205 HG1 THR A1745 -22.905 7.042 19.998 1.00 0.00 H ATOM 1206 H THR A1745 -22.642 9.384 21.069 1.00 0.00 H ATOM 1207 N GLY A1746 -22.607 6.477 22.538 1.00 37.78 N ATOM 1208 CA GLY A1746 -22.085 5.278 23.202 1.00 39.86 C ATOM 1209 C GLY A1746 -22.931 4.047 22.978 1.00 41.22 C ATOM 1210 O GLY A1746 -23.256 3.701 21.838 1.00 42.62 O ATOM 1211 H GLY A1746 -21.967 7.019 21.923 1.00 0.00 H ATOM 1212 N ILE A1747 -23.298 3.385 24.066 1.00 42.16 N ATOM 1213 CA ILE A1747 -24.165 2.220 23.977 1.00 43.56 C ATOM 1214 C ILE A1747 -25.587 2.661 24.299 1.00 44.58 C ATOM 1215 O ILE A1747 -25.790 3.456 25.213 1.00 45.36 O ATOM 1216 CB ILE A1747 -23.671 1.093 24.902 1.00 44.93 C ATOM 1217 CG1 ILE A1747 -22.298 0.608 24.424 1.00 44.20 C ATOM 1218 CG2 ILE A1747 -24.663 -0.059 24.931 1.00 46.65 C ATOM 1219 CD1 ILE A1747 -21.493 -0.125 25.470 1.00 46.14 C ATOM 1220 H ILE A1747 -22.961 3.703 24.997 1.00 0.00 H ATOM 1221 N TYR A1748 -26.562 2.161 23.543 1.00 45.50 N ATOM 1222 CA TYR A1748 -27.928 2.677 23.631 1.00 46.98 C ATOM 1223 C TYR A1748 -29.037 1.646 23.414 1.00 50.04 C ATOM 1224 O TYR A1748 -28.799 0.579 22.848 1.00 50.84 O ATOM 1225 CB TYR A1748 -28.108 3.850 22.662 1.00 45.15 C ATOM 1226 CG TYR A1748 -27.646 3.578 21.255 1.00 43.91 C ATOM 1227 CD1 TYR A1748 -28.474 2.935 20.343 1.00 45.13 C ATOM 1228 CD2 TYR A1748 -26.383 3.978 20.830 1.00 42.46 C ATOM 1229 CE1 TYR A1748 -28.056 2.687 19.048 1.00 44.61 C ATOM 1230 CE2 TYR A1748 -25.957 3.741 19.535 1.00 42.12 C ATOM 1231 CZ TYR A1748 -26.798 3.091 18.652 1.00 43.25 C ATOM 1232 OH TYR A1748 -26.386 2.843 17.366 1.00 43.55 O ATOM 1233 HH TYR A1748 -27.106 2.374 16.875 1.00 0.00 H ATOM 1234 H TYR A1748 -26.349 1.390 22.878 1.00 0.00 H ATOM 1235 N THR A1749 -30.251 1.996 23.855 1.00 52.73 N ATOM 1236 CA THR A1749 -31.426 1.113 23.784 1.00 55.67 C ATOM 1237 C THR A1749 -32.737 1.858 23.451 1.00 58.07 C ATOM 1238 O THR A1749 -32.716 3.067 23.212 1.00 56.69 O ATOM 1239 CB THR A1749 -31.578 0.297 25.084 1.00 58.22 C ATOM 1240 OG1 THR A1749 -32.452 -0.813 24.848 1.00 60.99 O ATOM 1241 CG2 THR A1749 -32.114 1.167 26.234 1.00 58.61 C ATOM 1242 HG1 THR A1749 -32.550 -1.337 25.682 1.00 0.00 H ATOM 1243 H THR A1749 -30.370 2.942 24.270 1.00 0.00 H ATOM 1244 N HIS A1750 -33.861 1.134 23.443 1.00 62.11 N ATOM 1245 CA HIS A1750 -35.178 1.679 23.058 1.00 65.45 C ATOM 1246 C HIS A1750 -35.749 2.705 24.043 1.00 65.89 C ATOM 1247 O HIS A1750 -35.632 2.557 25.258 1.00 67.49 O ATOM 1248 CB HIS A1750 -36.190 0.543 22.833 1.00 71.20 C ATOM 1249 CG HIS A1750 -36.044 -0.156 21.511 1.00 76.13 C ATOM 1250 ND1 HIS A1750 -37.124 -0.626 20.792 1.00 80.71 N ATOM 1251 CD2 HIS A1750 -34.946 -0.456 20.774 1.00 75.52 C ATOM 1252 CE1 HIS A1750 -36.698 -1.191 19.675 1.00 80.77 C ATOM 1253 NE2 HIS A1750 -35.380 -1.099 19.639 1.00 77.21 N ATOM 1254 H HIS A1750 -33.805 0.134 23.723 1.00 0.00 H TER 1255 HIS A1750 ATOM 1256 N PRO A1758 -33.354 7.319 31.851 1.00 88.25 N ATOM 1257 CA PRO A1758 -32.060 6.774 31.420 1.00 90.87 C ATOM 1258 C PRO A1758 -31.779 5.372 32.006 1.00 96.83 C ATOM 1259 O PRO A1758 -31.103 5.266 33.036 1.00101.71 O ATOM 1260 CB PRO A1758 -31.050 7.814 31.936 1.00 88.00 C ATOM 1261 CG PRO A1758 -31.762 8.568 33.017 1.00 88.05 C ATOM 1262 CD PRO A1758 -33.219 8.545 32.662 1.00 87.96 C ATOM 1263 HN2 PRO A1758 -33.846 6.599 32.417 1.00 0.00 H ATOM 1264 HN1 PRO A1758 -33.919 7.540 31.006 1.00 0.00 H ATOM 1265 N PRO A1759 -32.286 4.301 31.344 1.00 97.88 N ATOM 1266 CA PRO A1759 -32.285 2.909 31.854 1.00 95.97 C ATOM 1267 C PRO A1759 -30.903 2.300 32.137 1.00 92.01 C ATOM 1268 O PRO A1759 -29.882 2.848 31.712 1.00 87.67 O ATOM 1269 CB PRO A1759 -32.989 2.121 30.738 1.00 94.04 C ATOM 1270 CG PRO A1759 -33.760 3.135 29.965 1.00 94.77 C ATOM 1271 CD PRO A1759 -32.931 4.384 30.021 1.00 93.94 C ATOM 1272 N SER A1760 -30.895 1.166 32.844 1.00 94.12 N ATOM 1273 CA SER A1760 -29.663 0.469 33.241 1.00 95.74 C ATOM 1274 C SER A1760 -29.369 -0.769 32.391 1.00 94.05 C ATOM 1275 O SER A1760 -30.287 -1.498 32.006 1.00 92.88 O ATOM 1276 CB SER A1760 -29.723 0.070 34.721 1.00101.85 C ATOM 1277 OG SER A1760 -30.768 -0.859 34.970 1.00105.32 O ATOM 1278 HG SER A1760 -30.617 -1.676 34.431 1.00 0.00 H ATOM 1279 H SER A1760 -31.807 0.755 33.128 1.00 0.00 H ATOM 1280 N LYS A1761 -28.082 -0.999 32.122 1.00 92.51 N ATOM 1281 CA LYS A1761 -27.615 -2.148 31.336 1.00 92.81 C ATOM 1282 C LYS A1761 -28.099 -3.467 31.939 1.00 99.63 C ATOM 1283 O LYS A1761 -28.643 -4.330 31.240 1.00 96.20 O ATOM 1284 CB LYS A1761 -26.084 -2.158 31.255 1.00 89.92 C ATOM 1285 CG LYS A1761 -25.471 -0.993 30.496 1.00 88.06 C ATOM 1286 CD LYS A1761 -23.958 -1.127 30.440 1.00 88.86 C ATOM 1287 CE LYS A1761 -23.360 -0.147 29.444 1.00 85.73 C ATOM 1288 NZ LYS A1761 -21.900 -0.371 29.246 1.00 85.95 N ATOM 1289 HZ1 LYS A1761 -21.406 -0.253 30.154 1.00 0.00 H ATOM 1290 HZ2 LYS A1761 -21.744 -1.335 28.887 1.00 0.00 H ATOM 1291 HZ3 LYS A1761 -21.535 0.319 28.559 1.00 0.00 H ATOM 1292 H LYS A1761 -27.374 -0.331 32.488 1.00 0.00 H ATOM 1293 N ASN A1762 -27.896 -3.598 33.246 1.00108.08 N ATOM 1294 CA ASN A1762 -28.286 -4.774 34.008 1.00115.06 C ATOM 1295 C ASN A1762 -29.044 -4.314 35.258 1.00123.12 C ATOM 1296 O ASN A1762 -28.473 -3.615 36.097 1.00129.83 O ATOM 1297 CB ASN A1762 -27.029 -5.583 34.368 1.00118.28 C ATOM 1298 CG ASN A1762 -27.313 -6.762 35.286 1.00120.80 C ATOM 1299 OD1 ASN A1762 -28.355 -7.415 35.191 1.00124.99 O ATOM 1300 ND2 ASN A1762 -26.366 -7.051 36.173 1.00118.99 N ATOM 1301 HD22 ASN A1762 -25.502 -6.473 36.219 1.00 0.00 H ATOM 1302 HD21 ASN A1762 -26.489 -7.855 36.821 1.00 0.00 H ATOM 1303 H ASN A1762 -27.433 -2.816 33.752 1.00 0.00 H ATOM 1304 N PRO A1763 -30.342 -4.678 35.375 1.00128.02 N ATOM 1305 CA PRO A1763 -31.140 -4.326 36.562 1.00133.33 C ATOM 1306 C PRO A1763 -30.542 -4.782 37.908 1.00136.92 C ATOM 1307 O PRO A1763 -30.985 -4.314 38.961 1.00142.08 O ATOM 1308 CB PRO A1763 -32.481 -5.019 36.295 1.00133.16 C ATOM 1309 CG PRO A1763 -32.583 -5.048 34.809 1.00128.51 C ATOM 1310 CD PRO A1763 -31.179 -5.290 34.323 1.00126.83 C ATOM 1311 N GLN A1764 -29.552 -5.678 37.865 1.00138.17 N ATOM 1312 CA GLN A1764 -28.811 -6.110 39.061 1.00137.56 C ATOM 1313 C GLN A1764 -27.703 -5.120 39.444 1.00136.95 C ATOM 1314 O GLN A1764 -27.271 -5.077 40.599 1.00141.42 O ATOM 1315 CB GLN A1764 -28.208 -7.505 38.853 1.00134.52 C ATOM 1316 CG GLN A1764 -29.202 -8.657 38.928 1.00135.22 C ATOM 1317 CD GLN A1764 -29.563 -9.049 40.353 1.00139.44 C ATOM 1318 OE1 GLN A1764 -30.674 -9.512 40.615 1.00142.62 O ATOM 1319 NE2 GLN A1764 -28.625 -8.872 41.279 1.00140.91 N ATOM 1320 HE22 GLN A1764 -27.700 -8.478 41.013 1.00 0.00 H ATOM 1321 HE21 GLN A1764 -28.816 -9.128 42.269 1.00 0.00 H ATOM 1322 H GLN A1764 -29.293 -6.089 36.945 1.00 0.00 H ATOM 1323 N ASN A1765 -27.250 -4.336 38.466 1.00134.88 N ATOM 1324 CA ASN A1765 -26.224 -3.312 38.673 1.00134.67 C ATOM 1325 C ASN A1765 -26.714 -1.944 38.157 1.00134.50 C ATOM 1326 O ASN A1765 -26.273 -1.485 37.098 1.00140.91 O ATOM 1327 CB ASN A1765 -24.918 -3.740 37.986 1.00129.00 C ATOM 1328 CG ASN A1765 -23.699 -3.015 38.526 1.00127.92 C ATOM 1329 OD1 ASN A1765 -23.510 -1.822 38.287 1.00129.48 O ATOM 1330 ND2 ASN A1765 -22.851 -3.743 39.243 1.00126.99 N ATOM 1331 HD22 ASN A1765 -23.050 -4.748 39.421 1.00 0.00 H ATOM 1332 HD21 ASN A1765 -21.988 -3.308 39.627 1.00 0.00 H ATOM 1333 H ASN A1765 -27.644 -4.457 37.511 1.00 0.00 H ATOM 1334 N PRO A1766 -27.630 -1.288 38.907 1.00137.60 N ATOM 1335 CA PRO A1766 -28.342 -0.086 38.439 1.00131.66 C ATOM 1336 C PRO A1766 -27.540 1.225 38.490 1.00125.16 C ATOM 1337 O PRO A1766 -28.108 2.302 38.281 1.00118.34 O ATOM 1338 CB PRO A1766 -29.562 -0.002 39.380 1.00136.68 C ATOM 1339 CG PRO A1766 -29.475 -1.186 40.299 1.00139.43 C ATOM 1340 CD PRO A1766 -28.051 -1.649 40.271 1.00140.04 C ATOM 1341 N THR A1767 -26.240 1.129 38.761 1.00123.84 N ATOM 1342 CA THR A1767 -25.359 2.298 38.774 1.00117.43 C ATOM 1343 C THR A1767 -24.760 2.559 37.385 1.00118.16 C ATOM 1344 O THR A1767 -24.538 3.715 37.007 1.00117.07 O ATOM 1345 CB THR A1767 -24.237 2.164 39.829 1.00117.69 C ATOM 1346 OG1 THR A1767 -23.404 1.041 39.516 1.00114.49 O ATOM 1347 CG2 THR A1767 -24.822 1.980 41.227 1.00120.95 C ATOM 1348 HG1 THR A1767 -23.951 0.216 39.514 1.00 0.00 H ATOM 1349 H THR A1767 -25.837 0.193 38.970 1.00 0.00 H ATOM 1350 N ASP A1768 -24.509 1.481 36.637 1.00117.82 N ATOM 1351 CA ASP A1768 -23.990 1.559 35.265 1.00105.01 C ATOM 1352 C ASP A1768 -25.150 1.517 34.262 1.00 94.79 C ATOM 1353 O ASP A1768 -25.706 0.451 33.972 1.00 96.26 O ATOM 1354 CB ASP A1768 -22.983 0.425 34.996 1.00108.31 C ATOM 1355 CG ASP A1768 -21.928 0.798 33.949 1.00107.62 C ATOM 1356 OD1 ASP A1768 -22.287 1.362 32.889 1.00103.45 O ATOM 1357 OD2 ASP A1768 -20.731 0.511 34.186 1.00112.37 O ATOM 1358 H ASP A1768 -24.690 0.542 37.045 1.00 0.00 H ATOM 1359 N LEU A1769 -25.504 2.692 33.746 1.00 84.73 N ATOM 1360 CA LEU A1769 -26.660 2.859 32.867 1.00 79.97 C ATOM 1361 C LEU A1769 -26.269 2.867 31.383 1.00 73.57 C ATOM 1362 O LEU A1769 -25.083 2.799 31.037 1.00 71.67 O ATOM 1363 CB LEU A1769 -27.403 4.157 33.226 1.00 81.46 C ATOM 1364 CG LEU A1769 -27.779 4.457 34.687 1.00 84.29 C ATOM 1365 CD1 LEU A1769 -28.247 5.894 34.856 1.00 82.34 C ATOM 1366 CD2 LEU A1769 -28.823 3.497 35.235 1.00 85.46 C ATOM 1367 H LEU A1769 -24.932 3.529 33.979 1.00 0.00 H ATOM 1368 N TYR A1770 -27.273 2.937 30.510 1.00 69.06 N ATOM 1369 CA TYR A1770 -27.047 3.151 29.083 1.00 65.24 C ATOM 1370 C TYR A1770 -26.624 4.591 28.837 1.00 63.07 C ATOM 1371 O TYR A1770 -26.967 5.480 29.617 1.00 67.47 O ATOM 1372 CB TYR A1770 -28.305 2.822 28.278 1.00 65.25 C ATOM 1373 CG TYR A1770 -28.456 1.350 27.973 1.00 67.13 C ATOM 1374 CD1 TYR A1770 -27.564 0.706 27.117 1.00 66.78 C ATOM 1375 CD2 TYR A1770 -29.485 0.598 28.535 1.00 69.19 C ATOM 1376 CE1 TYR A1770 -27.689 -0.641 26.833 1.00 66.71 C ATOM 1377 CE2 TYR A1770 -29.619 -0.754 28.254 1.00 69.62 C ATOM 1378 CZ TYR A1770 -28.716 -1.365 27.402 1.00 68.29 C ATOM 1379 OH TYR A1770 -28.824 -2.701 27.103 1.00 67.93 O ATOM 1380 HH TYR A1770 -28.096 -2.959 26.483 1.00 0.00 H ATOM 1381 H TYR A1770 -28.249 2.836 30.856 1.00 0.00 H ATOM 1382 N ASP A1771 -25.877 4.821 27.762 1.00 57.48 N ATOM 1383 CA ASP A1771 -25.355 6.153 27.458 1.00 53.57 C ATOM 1384 C ASP A1771 -26.415 7.091 26.909 1.00 51.82 C ATOM 1385 O ASP A1771 -26.511 8.234 27.341 1.00 51.23 O ATOM 1386 CB ASP A1771 -24.184 6.067 26.489 1.00 50.02 C ATOM 1387 CG ASP A1771 -22.955 5.496 27.131 1.00 52.19 C ATOM 1388 OD1 ASP A1771 -22.640 5.919 28.263 1.00 52.46 O ATOM 1389 OD2 ASP A1771 -22.307 4.625 26.505 1.00 52.93 O ATOM 1390 H ASP A1771 -25.658 4.033 27.120 1.00 0.00 H ATOM 1391 N THR A1772 -27.186 6.610 25.940 1.00 50.90 N ATOM 1392 CA THR A1772 -28.331 7.349 25.409 1.00 49.38 C ATOM 1393 C THR A1772 -29.495 6.387 25.228 1.00 50.78 C ATOM 1394 O THR A1772 -29.344 5.184 25.441 1.00 52.23 O ATOM 1395 CB THR A1772 -28.016 8.052 24.060 1.00 46.40 C ATOM 1396 OG1 THR A1772 -27.364 7.143 23.164 1.00 43.74 O ATOM 1397 CG2 THR A1772 -27.125 9.262 24.274 1.00 45.02 C ATOM 1398 HG1 THR A1772 -26.517 6.831 23.571 1.00 0.00 H ATOM 1399 H THR A1772 -26.967 5.673 25.544 1.00 0.00 H ATOM 1400 N VAL A1773 -30.662 6.913 24.875 1.00 50.77 N ATOM 1401 CA VAL A1773 -31.736 6.063 24.366 1.00 52.51 C ATOM 1402 C VAL A1773 -32.022 6.466 22.920 1.00 51.49 C ATOM 1403 O VAL A1773 -31.620 7.549 22.489 1.00 50.86 O ATOM 1404 CB VAL A1773 -33.015 6.048 25.260 1.00 55.02 C ATOM 1405 CG1 VAL A1773 -32.650 5.802 26.715 1.00 55.96 C ATOM 1406 CG2 VAL A1773 -33.833 7.325 25.126 1.00 54.92 C ATOM 1407 H VAL A1773 -30.813 7.938 24.962 1.00 0.00 H ATOM 1408 N THR A1774 -32.678 5.580 22.175 1.00 52.70 N ATOM 1409 CA THR A1774 -33.028 5.833 20.775 1.00 51.44 C ATOM 1410 C THR A1774 -34.449 5.339 20.513 1.00 54.14 C ATOM 1411 O THR A1774 -35.062 4.711 21.381 1.00 56.73 O ATOM 1412 CB THR A1774 -32.010 5.195 19.785 1.00 49.95 C ATOM 1413 OG1 THR A1774 -32.399 5.471 18.432 1.00 49.16 O ATOM 1414 CG2 THR A1774 -31.916 3.690 19.970 1.00 51.10 C ATOM 1415 HG1 THR A1774 -32.421 6.450 18.290 1.00 0.00 H ATOM 1416 H THR A1774 -32.953 4.673 22.603 1.00 0.00 H ATOM 1417 N ASP A1775 -34.974 5.641 19.329 1.00 54.51 N ATOM 1418 CA ASP A1775 -36.304 5.183 18.940 1.00 58.47 C ATOM 1419 C ASP A1775 -36.248 3.753 18.409 1.00 60.49 C ATOM 1420 O ASP A1775 -37.168 2.966 18.631 1.00 64.30 O ATOM 1421 CB ASP A1775 -36.916 6.123 17.897 1.00 57.31 C ATOM 1422 CG ASP A1775 -36.107 6.184 16.609 1.00 56.74 C ATOM 1423 OD1 ASP A1775 -34.867 6.355 16.668 1.00 55.06 O ATOM 1424 OD2 ASP A1775 -36.719 6.065 15.530 1.00 58.67 O ATOM 1425 H ASP A1775 -34.422 6.219 18.663 1.00 0.00 H ATOM 1426 N ASN A1776 -35.156 3.431 17.716 1.00 60.42 N ATOM 1427 CA ASN A1776 -34.953 2.123 17.107 1.00 62.47 C ATOM 1428 C ASN A1776 -33.464 1.793 17.095 1.00 62.47 C ATOM 1429 O ASN A1776 -32.657 2.568 16.582 1.00 62.31 O ATOM 1430 CB ASN A1776 -35.515 2.119 15.683 1.00 63.27 C ATOM 1431 CG ASN A1776 -35.634 0.724 15.099 1.00 65.29 C ATOM 1432 OD1 ASN A1776 -34.681 -0.059 15.107 1.00 66.40 O ATOM 1433 ND2 ASN A1776 -36.809 0.413 14.571 1.00 67.38 N ATOM 1434 HD22 ASN A1776 -37.585 1.105 14.586 1.00 0.00 H ATOM 1435 HD21 ASN A1776 -36.955 -0.523 14.141 1.00 0.00 H ATOM 1436 H ASN A1776 -34.412 4.149 17.604 1.00 0.00 H ATOM 1437 N VAL A1777 -33.100 0.643 17.655 1.00 64.96 N ATOM 1438 CA VAL A1777 -31.685 0.311 17.847 1.00 64.38 C ATOM 1439 C VAL A1777 -30.934 0.028 16.542 1.00 64.12 C ATOM 1440 O VAL A1777 -29.776 0.428 16.394 1.00 63.53 O ATOM 1441 CB VAL A1777 -31.501 -0.833 18.873 1.00 66.39 C ATOM 1442 CG1 VAL A1777 -30.100 -1.426 18.804 1.00 64.63 C ATOM 1443 CG2 VAL A1777 -31.773 -0.315 20.277 1.00 66.30 C ATOM 1444 H VAL A1777 -33.830 -0.031 17.961 1.00 0.00 H ATOM 1445 N HIS A1778 -31.592 -0.634 15.595 1.00 66.47 N ATOM 1446 CA HIS A1778 -30.930 -1.009 14.345 1.00 68.36 C ATOM 1447 C HIS A1778 -31.087 0.034 13.235 1.00 65.54 C ATOM 1448 O HIS A1778 -30.197 0.191 12.395 1.00 66.29 O ATOM 1449 CB HIS A1778 -31.372 -2.403 13.889 1.00 74.63 C ATOM 1450 CG HIS A1778 -30.953 -3.494 14.827 1.00 81.01 C ATOM 1451 ND1 HIS A1778 -31.833 -4.118 15.687 1.00 84.90 N ATOM 1452 CD2 HIS A1778 -29.739 -4.051 15.061 1.00 82.71 C ATOM 1453 CE1 HIS A1778 -31.182 -5.022 16.400 1.00 87.45 C ATOM 1454 NE2 HIS A1778 -29.910 -5.001 16.040 1.00 86.99 N ATOM 1455 H HIS A1778 -32.589 -0.888 15.745 1.00 0.00 H ATOM 1456 N HIS A1779 -32.209 0.749 13.240 1.00 65.90 N ATOM 1457 CA HIS A1779 -32.426 1.829 12.279 1.00 66.36 C ATOM 1458 C HIS A1779 -32.815 3.119 13.011 1.00 63.00 C ATOM 1459 O HIS A1779 -33.969 3.548 12.935 1.00 64.58 O ATOM 1460 CB HIS A1779 -33.488 1.438 11.239 1.00 71.25 C ATOM 1461 CG HIS A1779 -33.307 0.063 10.667 1.00 79.47 C ATOM 1462 ND1 HIS A1779 -32.221 -0.286 9.889 1.00 83.06 N ATOM 1463 CD2 HIS A1779 -34.080 -1.049 10.753 1.00 86.41 C ATOM 1464 CE1 HIS A1779 -32.331 -1.553 9.526 1.00 87.78 C ATOM 1465 NE2 HIS A1779 -33.449 -2.039 10.037 1.00 88.78 N ATOM 1466 H HIS A1779 -32.946 0.535 13.942 1.00 0.00 H ATOM 1467 N PRO A1780 -31.846 3.744 13.724 1.00 60.65 N ATOM 1468 CA PRO A1780 -32.144 4.925 14.540 1.00 56.84 C ATOM 1469 C PRO A1780 -32.349 6.174 13.706 1.00 54.13 C ATOM 1470 O PRO A1780 -31.658 6.374 12.704 1.00 52.27 O ATOM 1471 CB PRO A1780 -30.887 5.093 15.415 1.00 55.31 C ATOM 1472 CG PRO A1780 -29.998 3.929 15.105 1.00 56.01 C ATOM 1473 CD PRO A1780 -30.408 3.430 13.755 1.00 58.55 C ATOM 1474 N SER A1781 -33.300 6.998 14.132 1.00 53.56 N ATOM 1475 CA SER A1781 -33.510 8.319 13.551 1.00 53.05 C ATOM 1476 C SER A1781 -33.329 9.426 14.599 1.00 51.51 C ATOM 1477 O SER A1781 -33.130 10.592 14.248 1.00 50.03 O ATOM 1478 CB SER A1781 -34.885 8.409 12.894 1.00 55.74 C ATOM 1479 OG SER A1781 -35.901 8.099 13.827 1.00 59.66 O ATOM 1480 HG SER A1781 -35.766 7.179 14.167 1.00 0.00 H ATOM 1481 H SER A1781 -33.918 6.689 14.909 1.00 0.00 H ATOM 1482 N LEU A1782 -33.384 9.053 15.879 1.00 50.42 N ATOM 1483 CA LEU A1782 -33.168 10.004 16.970 1.00 47.78 C ATOM 1484 C LEU A1782 -32.446 9.393 18.171 1.00 47.85 C ATOM 1485 O LEU A1782 -32.581 8.208 18.437 1.00 48.80 O ATOM 1486 CB LEU A1782 -34.495 10.654 17.402 1.00 48.46 C ATOM 1487 CG LEU A1782 -35.584 9.831 18.101 1.00 50.25 C ATOM 1488 CD1 LEU A1782 -35.387 9.851 19.607 1.00 50.83 C ATOM 1489 CD2 LEU A1782 -36.971 10.353 17.755 1.00 50.65 C ATOM 1490 H LEU A1782 -33.586 8.059 16.108 1.00 0.00 H ATOM 1491 N PHE A1783 -31.679 10.219 18.879 1.00 46.92 N ATOM 1492 CA PHE A1783 -31.030 9.838 20.131 1.00 47.17 C ATOM 1493 C PHE A1783 -31.331 10.872 21.200 1.00 49.42 C ATOM 1494 O PHE A1783 -31.459 12.062 20.907 1.00 49.41 O ATOM 1495 CB PHE A1783 -29.517 9.744 19.960 1.00 45.62 C ATOM 1496 CG PHE A1783 -29.076 8.629 19.070 1.00 46.89 C ATOM 1497 CD1 PHE A1783 -28.877 7.352 19.582 1.00 49.47 C ATOM 1498 CD2 PHE A1783 -28.857 8.851 17.719 1.00 45.55 C ATOM 1499 CE1 PHE A1783 -28.474 6.315 18.757 1.00 50.55 C ATOM 1500 CE2 PHE A1783 -28.453 7.821 16.889 1.00 47.31 C ATOM 1501 CZ PHE A1783 -28.261 6.551 17.408 1.00 49.86 C ATOM 1502 H PHE A1783 -31.534 11.185 18.522 1.00 0.00 H ATOM 1503 N VAL A1784 -31.427 10.414 22.443 1.00 51.82 N ATOM 1504 CA VAL A1784 -31.729 11.292 23.568 1.00 54.07 C ATOM 1505 C VAL A1784 -30.629 11.186 24.628 1.00 55.34 C ATOM 1506 O VAL A1784 -30.414 10.112 25.197 1.00 56.98 O ATOM 1507 CB VAL A1784 -33.103 10.955 24.186 1.00 56.67 C ATOM 1508 CG1 VAL A1784 -33.515 12.007 25.208 1.00 60.15 C ATOM 1509 CG2 VAL A1784 -34.158 10.837 23.100 1.00 55.03 C ATOM 1510 H VAL A1784 -31.283 9.399 22.619 1.00 0.00 H ATOM 1511 N ALA A1785 -29.931 12.295 24.872 1.00 54.32 N ATOM 1512 CA ALA A1785 -28.892 12.358 25.900 1.00 54.97 C ATOM 1513 C ALA A1785 -29.446 12.965 27.189 1.00 59.45 C ATOM 1514 O ALA A1785 -30.385 13.767 27.149 1.00 61.78 O ATOM 1515 CB ALA A1785 -27.694 13.152 25.402 1.00 51.40 C ATOM 1516 H ALA A1785 -30.132 13.147 24.311 1.00 0.00 H ATOM 1517 N PHE A1786 -28.866 12.583 28.327 1.00 62.86 N ATOM 1518 CA PHE A1786 -29.367 13.021 29.632 1.00 65.48 C ATOM 1519 C PHE A1786 -28.318 13.746 30.466 1.00 65.66 C ATOM 1520 O PHE A1786 -28.597 14.798 31.039 1.00 68.66 O ATOM 1521 CB PHE A1786 -29.924 11.833 30.419 1.00 67.54 C ATOM 1522 CG PHE A1786 -31.169 11.244 29.826 1.00 69.98 C ATOM 1523 CD1 PHE A1786 -32.424 11.737 30.183 1.00 73.18 C ATOM 1524 CD2 PHE A1786 -31.093 10.193 28.915 1.00 67.30 C ATOM 1525 CE1 PHE A1786 -33.580 11.193 29.639 1.00 73.63 C ATOM 1526 CE2 PHE A1786 -32.244 9.646 28.367 1.00 68.39 C ATOM 1527 CZ PHE A1786 -33.488 10.148 28.729 1.00 71.25 C ATOM 1528 H PHE A1786 -28.036 11.958 28.287 1.00 0.00 H ATOM 1529 N TYR A1787 -27.120 13.173 30.534 1.00 67.28 N ATOM 1530 CA TYR A1787 -26.030 13.731 31.327 1.00 72.72 C ATOM 1531 C TYR A1787 -25.412 14.962 30.650 1.00 69.36 C ATOM 1532 O TYR A1787 -25.405 15.070 29.421 1.00 64.22 O ATOM 1533 CB TYR A1787 -24.964 12.657 31.561 1.00 80.43 C ATOM 1534 CG TYR A1787 -24.140 12.842 32.816 1.00 94.16 C ATOM 1535 CD1 TYR A1787 -23.021 13.683 32.823 1.00 98.24 C ATOM 1536 CD2 TYR A1787 -24.469 12.166 33.997 1.00 99.65 C ATOM 1537 CE1 TYR A1787 -22.261 13.860 33.969 1.00105.57 C ATOM 1538 CE2 TYR A1787 -23.713 12.333 35.149 1.00103.74 C ATOM 1539 CZ TYR A1787 -22.612 13.181 35.128 1.00102.83 C ATOM 1540 OH TYR A1787 -21.854 13.356 36.260 1.00109.26 O ATOM 1541 HH TYR A1787 -21.116 13.988 36.067 1.00 0.00 H ATOM 1542 H TYR A1787 -26.954 12.295 30.002 1.00 0.00 H ATOM 1543 N ASP A1788 -24.904 15.885 31.465 1.00 70.91 N ATOM 1544 CA ASP A1788 -24.236 17.091 30.978 1.00 68.33 C ATOM 1545 C ASP A1788 -22.906 16.757 30.316 1.00 58.85 C ATOM 1546 O ASP A1788 -22.265 15.748 30.643 1.00 60.93 O ATOM 1547 CB ASP A1788 -23.994 18.075 32.128 1.00 74.87 C ATOM 1548 CG ASP A1788 -25.277 18.510 32.809 1.00 82.03 C ATOM 1549 OD1 ASP A1788 -25.534 18.030 33.935 1.00 92.38 O ATOM 1550 OD2 ASP A1788 -26.028 19.323 32.220 1.00 77.33 O ATOM 1551 H ASP A1788 -24.986 15.742 32.492 1.00 0.00 H ATOM 1552 N TYR A1789 -22.499 17.622 29.389 1.00 53.76 N ATOM 1553 CA TYR A1789 -21.229 17.488 28.672 1.00 50.92 C ATOM 1554 C TYR A1789 -21.179 16.258 27.763 1.00 49.04 C ATOM 1555 O TYR A1789 -20.105 15.821 27.341 1.00 49.58 O ATOM 1556 CB TYR A1789 -20.041 17.544 29.645 1.00 52.25 C ATOM 1557 CG TYR A1789 -20.140 18.694 30.629 1.00 56.78 C ATOM 1558 CD1 TYR A1789 -20.041 20.019 30.195 1.00 56.18 C ATOM 1559 CD2 TYR A1789 -20.350 18.461 31.991 1.00 59.92 C ATOM 1560 CE1 TYR A1789 -20.134 21.074 31.088 1.00 60.00 C ATOM 1561 CE2 TYR A1789 -20.448 19.511 32.893 1.00 62.43 C ATOM 1562 CZ TYR A1789 -20.338 20.814 32.435 1.00 62.41 C ATOM 1563 OH TYR A1789 -20.436 21.866 33.318 1.00 67.51 O ATOM 1564 HH TYR A1789 -20.335 22.719 32.826 1.00 0.00 H ATOM 1565 H TYR A1789 -23.112 18.431 29.163 1.00 0.00 H ATOM 1566 N GLN A1790 -22.357 15.727 27.442 1.00 47.80 N ATOM 1567 CA GLN A1790 -22.489 14.570 26.563 1.00 47.02 C ATOM 1568 C GLN A1790 -22.640 15.007 25.104 1.00 44.48 C ATOM 1569 O GLN A1790 -22.572 14.176 24.188 1.00 43.97 O ATOM 1570 CB GLN A1790 -23.700 13.736 26.984 1.00 48.29 C ATOM 1571 CG GLN A1790 -23.565 12.255 26.694 1.00 50.14 C ATOM 1572 CD GLN A1790 -24.754 11.445 27.178 1.00 54.36 C ATOM 1573 OE1 GLN A1790 -25.522 11.884 28.042 1.00 57.59 O ATOM 1574 NE2 GLN A1790 -24.911 10.249 26.623 1.00 52.80 N ATOM 1575 HE22 GLN A1790 -24.241 9.919 25.899 1.00 0.00 H ATOM 1576 HE21 GLN A1790 -25.704 9.642 26.912 1.00 0.00 H ATOM 1577 H GLN A1790 -23.220 16.155 27.834 1.00 0.00 H ATOM 1578 N ALA A1791 -22.849 16.307 24.896 1.00 41.45 N ATOM 1579 CA ALA A1791 -23.070 16.857 23.564 1.00 38.51 C ATOM 1580 C ALA A1791 -22.409 18.220 23.413 1.00 38.31 C ATOM 1581 O ALA A1791 -22.645 19.121 24.221 1.00 38.92 O ATOM 1582 CB ALA A1791 -24.557 16.956 23.273 1.00 36.90 C ATOM 1583 H ALA A1791 -22.855 16.951 25.712 1.00 0.00 H ATOM 1584 N TYR A1792 -21.583 18.366 22.377 1.00 36.51 N ATOM 1585 CA TYR A1792 -20.945 19.643 22.083 1.00 36.25 C ATOM 1586 C TYR A1792 -21.534 20.310 20.834 1.00 35.79 C ATOM 1587 O TYR A1792 -21.484 19.734 19.751 1.00 35.67 O ATOM 1588 CB TYR A1792 -19.429 19.493 21.938 1.00 36.05 C ATOM 1589 CG TYR A1792 -18.737 20.830 21.753 1.00 37.44 C ATOM 1590 CD1 TYR A1792 -18.422 21.629 22.856 1.00 37.93 C ATOM 1591 CD2 TYR A1792 -18.426 21.311 20.476 1.00 36.75 C ATOM 1592 CE1 TYR A1792 -17.803 22.855 22.697 1.00 38.17 C ATOM 1593 CE2 TYR A1792 -17.805 22.539 20.308 1.00 37.39 C ATOM 1594 CZ TYR A1792 -17.498 23.307 21.422 1.00 38.63 C ATOM 1595 OH TYR A1792 -16.883 24.530 21.271 1.00 40.53 O ATOM 1596 HH TYR A1792 -17.458 25.122 20.724 1.00 0.00 H ATOM 1597 H TYR A1792 -21.389 17.549 21.764 1.00 0.00 H ATOM 1598 N PRO A1793 -22.066 21.540 20.980 1.00 36.53 N ATOM 1599 CA PRO A1793 -22.723 22.215 19.871 1.00 35.93 C ATOM 1600 C PRO A1793 -21.696 22.890 18.962 1.00 35.88 C ATOM 1601 O PRO A1793 -21.474 24.101 19.056 1.00 36.57 O ATOM 1602 CB PRO A1793 -23.594 23.256 20.578 1.00 36.98 C ATOM 1603 CG PRO A1793 -22.876 23.558 21.860 1.00 36.99 C ATOM 1604 CD PRO A1793 -21.922 22.434 22.147 1.00 36.81 C ATOM 1605 N GLU A1794 -21.085 22.098 18.087 1.00 35.23 N ATOM 1606 CA GLU A1794 -19.962 22.544 17.270 1.00 34.15 C ATOM 1607 C GLU A1794 -20.319 23.629 16.265 1.00 33.19 C ATOM 1608 O GLU A1794 -19.624 24.635 16.177 1.00 32.76 O ATOM 1609 CB GLU A1794 -19.350 21.363 16.538 1.00 33.83 C ATOM 1610 CG GLU A1794 -17.917 21.595 16.112 1.00 35.34 C ATOM 1611 CD GLU A1794 -17.229 20.317 15.668 1.00 36.92 C ATOM 1612 OE1 GLU A1794 -15.989 20.336 15.506 1.00 38.76 O ATOM 1613 OE2 GLU A1794 -17.923 19.289 15.485 1.00 37.82 O ATOM 1614 H GLU A1794 -21.421 21.120 17.980 1.00 0.00 H ATOM 1615 N TYR A1795 -21.389 23.414 15.504 1.00 32.99 N ATOM 1616 CA TYR A1795 -21.769 24.340 14.441 1.00 32.30 C ATOM 1617 C TYR A1795 -23.201 24.811 14.585 1.00 32.99 C ATOM 1618 O TYR A1795 -24.067 24.055 15.040 1.00 33.18 O ATOM 1619 CB TYR A1795 -21.610 23.707 13.057 1.00 31.88 C ATOM 1620 CG TYR A1795 -20.231 23.191 12.751 1.00 30.80 C ATOM 1621 CD1 TYR A1795 -19.226 24.047 12.304 1.00 30.91 C ATOM 1622 CD2 TYR A1795 -19.933 21.834 12.888 1.00 30.22 C ATOM 1623 CE1 TYR A1795 -17.961 23.563 12.014 1.00 31.48 C ATOM 1624 CE2 TYR A1795 -18.675 21.342 12.600 1.00 29.99 C ATOM 1625 CZ TYR A1795 -17.695 22.206 12.165 1.00 31.24 C ATOM 1626 OH TYR A1795 -16.446 21.706 11.884 1.00 32.86 O ATOM 1627 HH TYR A1795 -15.856 22.443 11.585 1.00 0.00 H ATOM 1628 H TYR A1795 -21.968 22.566 15.670 1.00 0.00 H ATOM 1629 N LEU A1796 -23.436 26.060 14.187 1.00 33.36 N ATOM 1630 CA LEU A1796 -24.783 26.584 14.086 1.00 34.88 C ATOM 1631 C LEU A1796 -25.128 26.887 12.637 1.00 35.75 C ATOM 1632 O LEU A1796 -24.421 27.634 11.958 1.00 36.07 O ATOM 1633 CB LEU A1796 -24.958 27.841 14.936 1.00 34.89 C ATOM 1634 CG LEU A1796 -26.307 28.556 14.785 1.00 35.46 C ATOM 1635 CD1 LEU A1796 -27.474 27.669 15.218 1.00 35.55 C ATOM 1636 CD2 LEU A1796 -26.289 29.868 15.549 1.00 35.74 C ATOM 1637 H LEU A1796 -22.633 26.674 13.943 1.00 0.00 H ATOM 1638 N ILE A1797 -26.232 26.310 12.178 1.00 36.61 N ATOM 1639 CA ILE A1797 -26.699 26.533 10.821 1.00 36.92 C ATOM 1640 C ILE A1797 -27.926 27.442 10.833 1.00 38.79 C ATOM 1641 O ILE A1797 -28.970 27.083 11.392 1.00 41.39 O ATOM 1642 CB ILE A1797 -26.994 25.204 10.098 1.00 36.12 C ATOM 1643 CG1 ILE A1797 -25.758 24.303 10.152 1.00 35.06 C ATOM 1644 CG2 ILE A1797 -27.415 25.458 8.655 1.00 35.90 C ATOM 1645 CD1 ILE A1797 -26.036 22.842 9.874 1.00 35.45 C ATOM 1646 H ILE A1797 -26.775 25.683 12.805 1.00 0.00 H ATOM 1647 N THR A1798 -27.774 28.624 10.232 1.00 39.32 N ATOM 1648 CA THR A1798 -28.882 29.550 10.014 1.00 40.46 C ATOM 1649 C THR A1798 -29.346 29.406 8.568 1.00 40.14 C ATOM 1650 O THR A1798 -28.537 29.492 7.646 1.00 41.01 O ATOM 1651 CB THR A1798 -28.457 31.006 10.296 1.00 40.47 C ATOM 1652 OG1 THR A1798 -27.958 31.114 11.639 1.00 39.83 O ATOM 1653 CG2 THR A1798 -29.630 31.965 10.116 1.00 41.10 C ATOM 1654 HG1 THR A1798 -27.176 30.517 11.748 1.00 0.00 H ATOM 1655 H THR A1798 -26.825 28.897 9.905 1.00 0.00 H ATOM 1656 N PHE A1799 -30.642 29.185 8.372 1.00 41.68 N ATOM 1657 CA PHE A1799 -31.187 28.948 7.035 1.00 43.87 C ATOM 1658 C PHE A1799 -32.634 29.437 6.893 1.00 45.83 C ATOM 1659 O PHE A1799 -33.251 29.864 7.871 1.00 44.82 O ATOM 1660 CB PHE A1799 -31.083 27.459 6.689 1.00 43.78 C ATOM 1661 CG PHE A1799 -31.861 26.565 7.615 1.00 44.25 C ATOM 1662 CD1 PHE A1799 -33.078 26.021 7.214 1.00 46.24 C ATOM 1663 CD2 PHE A1799 -31.384 26.273 8.895 1.00 43.23 C ATOM 1664 CE1 PHE A1799 -33.803 25.201 8.070 1.00 47.12 C ATOM 1665 CE2 PHE A1799 -32.107 25.459 9.754 1.00 43.38 C ATOM 1666 CZ PHE A1799 -33.317 24.919 9.341 1.00 45.26 C ATOM 1667 H PHE A1799 -31.285 29.180 9.190 1.00 0.00 H ATOM 1668 N ARG A1800 -33.168 29.369 5.672 1.00 50.25 N ATOM 1669 CA ARG A1800 -34.537 29.823 5.381 1.00 55.53 C ATOM 1670 C ARG A1800 -35.215 29.002 4.277 1.00 59.10 C ATOM 1671 O ARG A1800 -34.577 28.163 3.632 1.00 59.48 O ATOM 1672 CB ARG A1800 -34.553 31.313 5.012 1.00 56.87 C ATOM 1673 CG ARG A1800 -33.849 31.653 3.705 1.00 59.03 C ATOM 1674 CD ARG A1800 -34.120 33.083 3.266 1.00 64.33 C ATOM 1675 NE ARG A1800 -33.608 34.065 4.225 1.00 70.03 N ATOM 1676 CZ ARG A1800 -34.355 34.734 5.107 1.00 71.29 C ATOM 1677 NH1 ARG A1800 -35.673 34.543 5.163 1.00 74.85 N ATOM 1678 NH2 ARG A1800 -33.782 35.604 5.935 1.00 69.09 N ATOM 1679 HE ARG A1800 -32.586 34.256 4.218 1.00 0.00 H ATOM 1680 HH12 ARG A1800 -36.246 35.069 5.854 1.00 0.00 H ATOM 1681 HH11 ARG A1800 -36.129 33.868 4.516 1.00 0.00 H ATOM 1682 HH22 ARG A1800 -34.361 36.126 6.623 1.00 0.00 H ATOM 1683 HH21 ARG A1800 -32.755 35.762 5.894 1.00 0.00 H ATOM 1684 H ARG A1800 -32.595 28.980 4.896 1.00 0.00 H ATOM 1685 N LYS A1801 -36.504 29.263 4.065 1.00 63.65 N ATOM 1686 CA LYS A1801 -37.304 28.547 3.067 1.00 66.51 C ATOM 1687 C LYS A1801 -36.892 28.892 1.637 1.00 67.65 C ATOM 1688 O LYS A1801 -36.525 30.030 1.344 1.00 66.51 O ATOM 1689 CB LYS A1801 -38.796 28.843 3.259 1.00 71.20 C ATOM 1690 CG LYS A1801 -39.384 28.374 4.588 1.00 74.45 C ATOM 1691 CD LYS A1801 -39.736 26.887 4.589 1.00 78.45 C ATOM 1692 CE LYS A1801 -40.932 26.550 3.698 1.00 83.29 C ATOM 1693 NZ LYS A1801 -42.216 27.136 4.181 1.00 88.01 N ATOM 1694 HZ1 LYS A1801 -42.424 26.774 5.134 1.00 0.00 H ATOM 1695 HZ2 LYS A1801 -42.132 28.172 4.213 1.00 0.00 H ATOM 1696 HZ3 LYS A1801 -42.983 26.869 3.532 1.00 0.00 H ATOM 1697 H LYS A1801 -36.962 30.006 4.631 1.00 0.00 H TER 1698 LYS A1801 HETATM 1699 O HOH 1 -25.582 30.382 11.798 1.00 36.68 O HETATM 1700 O HOH 2 -31.349 38.599 9.158 1.00 55.16 O HETATM 1701 O HOH 3 -29.651 15.820 6.368 1.00 39.44 O HETATM 1702 O HOH 4 -21.321 31.316 6.767 1.00 30.36 O HETATM 1703 O HOH 5 -23.074 2.993 28.878 1.00 63.72 O HETATM 1704 O HOH 6 -34.858 28.515 14.399 1.00 32.88 O HETATM 1705 O HOH 7 -14.409 29.771 7.005 1.00 37.83 O HETATM 1706 O HOH 8 -23.314 13.042 10.461 1.00 42.43 O HETATM 1707 O HOH 9 -15.179 22.782 16.187 1.00 37.58 O HETATM 1708 O HOH 10 -11.673 12.063 31.599 1.00 44.48 O HETATM 1709 O HOH 11 -15.465 6.156 20.133 1.00 39.59 O HETATM 1710 O HOH 12 -30.524 16.557 28.345 1.00 37.00 O HETATM 1711 O HOH 13 -22.166 5.068 19.790 1.00 34.25 O HETATM 1712 O HOH 14 -20.671 6.114 16.017 1.00 32.39 O HETATM 1713 O HOH 15 -31.226 34.870 3.229 1.00 58.20 O HETATM 1714 O HOH 16 -33.409 11.714 11.617 1.00 51.69 O HETATM 1715 O HOH 17 -20.684 18.420 14.874 1.00 32.68 O HETATM 1716 O HOH 18 -23.920 30.595 3.216 1.00 49.01 O HETATM 1717 O HOH 19 -11.218 12.516 24.781 1.00 35.88 O HETATM 1718 O HOH 20 -14.684 28.254 27.666 1.00 37.26 O HETATM 1719 O HOH 21 -20.311 4.810 29.370 1.00 51.27 O HETATM 1720 O HOH 22 -14.467 14.480 19.591 1.00 36.59 O HETATM 1721 O HOH 23 -23.451 30.101 32.241 1.00 41.70 O HETATM 1722 O HOH 24 -28.805 13.164 7.157 1.00 36.13 O HETATM 1723 O HOH 25 -32.124 17.019 0.623 1.00 42.81 O HETATM 1724 O HOH 26 -11.421 25.922 8.939 1.00 66.47 O HETATM 1725 O HOH 27 -15.204 2.743 23.378 1.00 37.60 O HETATM 1726 O HOH 28 -13.875 17.830 16.417 1.00 56.02 O HETATM 1727 O HOH 29 -33.047 23.887 22.365 1.00 35.15 O HETATM 1728 O HOH 30 -14.028 4.174 31.860 1.00 40.00 O HETATM 1729 O HOH 31 -26.082 12.020 11.164 1.00 38.59 O HETATM 1730 O HOH 32 -16.925 27.455 37.202 1.00 59.95 O HETATM 1731 O HOH 33 -21.754 10.768 12.779 1.00 36.42 O HETATM 1732 O HOH 34 -27.813 27.420 0.380 1.00 41.22 O HETATM 1733 O HOH 35 -41.764 34.400 10.771 1.00 53.82 O HETATM 1734 O HOH 36 -17.055 32.352 0.209 1.00 46.48 O HETATM 1735 O HOH 37 -34.748 18.528 22.679 1.00 52.92 O HETATM 1736 O HOH 38 -24.388 20.696 29.200 1.00 51.64 O HETATM 1737 O HOH 39 -24.207 33.208 27.133 1.00 35.08 O HETATM 1738 O HOH 40 -13.681 30.473 29.244 1.00 49.07 O HETATM 1739 O HOH 41 -12.637 29.478 2.771 1.00 52.20 O HETATM 1740 O HOH 42 -24.895 9.815 30.733 1.00 56.19 O HETATM 1741 O HOH 43 -17.904 6.937 30.407 1.00 51.12 O HETATM 1742 O HOH 44 -17.978 -0.766 16.289 1.00 38.73 O HETATM 1743 O HOH 45 -25.160 17.043 -0.335 1.00 51.67 O HETATM 1744 O HOH 46 -14.819 19.393 8.269 1.00 48.81 O HETATM 1745 O HOH 47 -33.273 7.449 10.075 1.00 40.24 O HETATM 1746 O HOH 48 -13.793 23.996 20.062 1.00 31.67 O HETATM 1747 O HOH 49 -27.846 7.557 32.291 1.00 64.90 O HETATM 1748 O HOH 50 -13.035 4.177 19.465 1.00 37.31 O HETATM 1749 O HOH 51 -31.652 3.086 8.998 1.00 47.42 O HETATM 1750 O HOH 52 -27.643 36.613 13.424 1.00 42.16 O HETATM 1751 O HOH 53 -28.688 32.549 28.007 1.00 39.65 O HETATM 1752 O HOH 54 -32.142 -7.657 14.710 1.00 62.03 O HETATM 1753 O HOH 55 -42.938 22.285 9.215 1.00 55.67 O HETATM 1754 O HOH 56 -29.867 10.120 3.965 1.00 49.13 O HETATM 1755 O HOH 57 -10.754 0.090 24.020 1.00 38.83 O HETATM 1756 O HOH 58 -12.640 33.681 17.741 1.00 54.15 O HETATM 1757 O HOH 59 -9.116 4.414 24.075 1.00 52.98 O HETATM 1758 O HOH 60 -38.088 7.710 22.385 1.00 44.78 O HETATM 1759 O HOH 61 -38.087 8.558 26.558 1.00 53.46 O HETATM 1760 O HOH 62 -31.759 23.244 24.943 1.00 34.04 O HETATM 1761 O HOH 63 -21.700 34.090 2.881 1.00 52.42 O HETATM 1762 O HOH 64 -41.523 13.415 20.856 1.00 33.85 O HETATM 1763 C4 UNN A 65 -36.371 23.665 22.995 1.00 -0.01 C HETATM 1764 C5 UNN A 65 -36.552 23.442 21.482 1.00 -0.01 C HETATM 1765 C6 UNN A 65 -36.726 21.941 21.254 1.00 0.03 C HETATM 1766 N7 UNN A 65 -35.511 21.395 20.652 1.00 -0.32 N HETATM 1767 C8 UNN A 65 -35.590 20.259 19.886 1.00 0.20 C HETATM 1768 N9 UNN A 65 -36.428 19.315 20.232 1.00 -0.22 N HETATM 1769 C10 UNN A 65 -36.546 18.176 19.517 1.00 0.23 C HETATM 1770 S11 UNN A 65 -37.592 16.803 19.787 1.00 0.12 S HETATM 1771 C12 UNN A 65 -36.992 15.956 18.380 1.00 0.12 C HETATM 1772 C13 UNN A 65 -37.487 14.579 17.954 1.00 0.04 C HETATM 1773 C14 UNN A 65 -37.101 14.339 16.490 1.00 -0.03 C HETATM 1774 C15 UNN A 65 -35.611 14.660 16.294 1.00 -0.04 C HETATM 1775 C16 UNN A 65 -35.359 16.164 16.476 1.00 0.00 C HETATM 1776 C17 UNN A 65 -36.052 16.669 17.745 1.00 0.06 C HETATM 1777 C18 UNN A 65 -35.774 17.966 18.378 1.00 0.16 C HETATM 1778 C19 UNN A 65 -34.863 19.017 18.014 1.00 0.21 C HETATM 1779 O20 UNN A 65 -34.150 18.925 17.027 1.00 -0.39 O HETATM 1780 N21 UNN A 65 -34.804 20.128 18.780 1.00 -0.26 N HETATM 1781 H24 UNN A 65 -34.175 20.865 18.532 1.00 0.18 H HETATM 1782 H22 UNN A 65 -35.756 16.706 15.605 1.00 0.05 H HETATM 1783 H23 UNN A 65 -34.277 16.343 16.558 1.00 0.05 H HETATM 1784 H8 UNN A 65 -35.306 14.362 15.280 1.00 0.03 H HETATM 1785 H9 UNN A 65 -35.019 14.101 17.034 1.00 0.03 H HETATM 1786 H20 UNN A 65 -37.705 14.989 15.840 1.00 0.03 H HETATM 1787 H21 UNN A 65 -37.287 13.287 16.230 1.00 0.03 H HETATM 1788 H6 UNN A 65 -38.581 14.532 18.059 1.00 0.07 H HETATM 1789 H7 UNN A 65 -37.024 13.809 18.588 1.00 0.07 H HETATM 1790 H19 UNN A 65 -37.012 19.444 21.071 1.00 0.24 H HETATM 1791 H18 UNN A 65 -34.603 21.859 20.801 1.00 0.18 H HETATM 1792 H4 UNN A 65 -37.578 21.769 20.580 1.00 0.05 H HETATM 1793 H5 UNN A 65 -36.914 21.443 22.217 1.00 0.05 H HETATM 1794 C23 UNN A 65 -37.794 24.164 20.920 1.00 -0.01 C HETATM 1795 C24 UNN A 65 -37.870 25.619 21.398 1.00 -0.03 C HETATM 1796 N2 UNN A 65 -37.793 25.652 22.868 1.00 0.23 N HETATM 1797 C1 UNN A 65 -38.076 26.997 23.387 1.00 -0.04 C HETATM 1798 H12 UNN A 65 -38.011 26.988 24.485 1.00 0.08 H HETATM 1799 H13 UNN A 65 -39.088 27.302 23.083 1.00 0.08 H HETATM 1800 H14 UNN A 65 -37.341 27.708 22.982 1.00 0.08 H HETATM 1801 C3 UNN A 65 -36.494 25.154 23.350 1.00 -0.03 C HETATM 1802 H16 UNN A 65 -35.681 25.717 22.869 1.00 0.08 H HETATM 1803 H17 UNN A 65 -36.432 25.280 24.441 1.00 0.08 H HETATM 1804 H15 UNN A 65 -38.505 25.034 23.223 1.00 0.20 H HETATM 1805 H10 UNN A 65 -37.031 26.190 20.973 1.00 0.08 H HETATM 1806 H11 UNN A 65 -38.821 26.065 21.070 1.00 0.08 H HETATM 1807 H25 UNN A 65 -38.697 23.632 21.254 1.00 0.03 H HETATM 1808 H26 UNN A 65 -37.746 24.152 19.821 1.00 0.03 H HETATM 1809 H3 UNN A 65 -35.657 23.803 20.954 1.00 0.03 H HETATM 1810 H1 UNN A 65 -35.376 23.305 23.295 1.00 0.03 H HETATM 1811 H2 UNN A 65 -37.144 23.101 23.537 1.00 0.03 H CONECT 1 2 12 13 14 CONECT 12 1 CONECT 13 1 CONECT 14 1 CONECT 861 862 865 866 867 CONECT 865 861 CONECT 866 861 CONECT 867 861 CONECT 1256 1257 1262 1263 1264 CONECT 1263 1256 CONECT 1264 1256 CONECT 1763 1764 1801 1810 1811 CONECT 1764 1763 1765 1794 1809 CONECT 1765 1764 1766 1792 1793 CONECT 1766 1765 1767 1791 CONECT 1767 1766 1768 1780 CONECT 1768 1767 1769 1790 CONECT 1769 1768 1770 1777 CONECT 1770 1769 1771 CONECT 1771 1770 1772 1776 CONECT 1772 1771 1773 1788 1789 CONECT 1773 1772 1774 1786 1787 CONECT 1774 1773 1775 1784 1785 CONECT 1775 1774 1776 1782 1783 CONECT 1776 1771 1775 1777 CONECT 1777 1769 1776 1778 CONECT 1778 1777 1779 1780 CONECT 1779 1778 CONECT 1780 1767 1778 1781 CONECT 1781 1780 CONECT 1782 1775 CONECT 1783 1775 CONECT 1784 1774 CONECT 1785 1774 CONECT 1786 1773 CONECT 1787 1773 CONECT 1788 1772 CONECT 1789 1772 CONECT 1790 1768 CONECT 1791 1766 CONECT 1792 1765 CONECT 1793 1765 CONECT 1794 1764 1795 1807 1808 CONECT 1795 1794 1796 1805 1806 CONECT 1796 1795 1797 1801 1804 CONECT 1797 1796 1798 1799 1800 CONECT 1798 1797 CONECT 1799 1797 CONECT 1800 1797 CONECT 1801 1763 1796 1802 1803 CONECT 1802 1801 CONECT 1803 1801 CONECT 1804 1796 CONECT 1805 1795 CONECT 1806 1795 CONECT 1807 1794 CONECT 1808 1794 CONECT 1809 1764 CONECT 1810 1763 CONECT 1811 1763 MASTER 0 0 0 0 0 0 0 0 1808 3 60 14 END
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Structure:
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Related entries of code: 5v7w
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Protein Sequence Similarity
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5nqe
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PDBbind
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5v7t
RCSB PDB
PDBbind
194aa, >5V7T_1|Chain... *
6g0w
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PDBbind
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6fzm
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PDBbind
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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
5v7w
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Poly [ADP-ribose] polymerase 14
Ligand Name
91J
EC.Number
E.C.-.-.-.-
Resolution
2.65(Å)
Affinity (Kd/Ki/IC50)
IC50=76nM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Biochem. Biophys. Res. Commun. Vol. 486: pp. 626-631
Ligand Properties
Formula
C
1
7
H
2
6
N
4
OS
Molecular Weight
334.480
Exact Mass
334.183
No. of atoms
49
No. of bonds
52
Polar Surface Area
95.3
LOGP Value
2.55 (
Computed with XLOGP3
)
0.27 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 4
Canonical SMILES
C[N@@H+]1CC[C@H](CC1)C/[NH+]=c/1\[nH]c(=O)c2c([nH]1)sc1c2CCCC1
InChI String
InChI=1S/C17H24N4OS/c1-21-8-6-11(7-9-21)10-18-17-19-15(22)14-12-4-2-3-5-13(12)23-16(14)20-17/h11H,2-10H2,1H3,(H2,18,19,20,22)/p+2
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):
Q460N5
Entrez Gene ID
NCBI Entrez Gene ID:
54625
ASD
Information of known allosteric effects of PDB entries
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