Browse entries in the PDBbind-CN Database
HEADER 5O5F_COMPLEX COMPND 5O5F_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 113 GLU MET GLN LEU THR PRO PHE LEU ILE LEU LEU ARG LYS SEQRES 2 A 113 THR LEU GLU GLN LEU GLN GLU LYS ASP THR GLY ASN ILE SEQRES 3 A 113 PHE SER GLU PRO VAL PRO LEU SER GLU VAL PRO ASP TYR SEQRES 4 A 113 LEU ASP HIS ILE LYS LYS PRO MET ASP PHE PHE THR MET SEQRES 5 A 113 LYS GLN ASN LEU GLU ALA TYR ARG TYR LEU ASN PHE ASP SEQRES 6 A 113 ASP PHE GLU GLU ASP PHE ASN LEU ILE VAL SER ASN CYS SEQRES 7 A 113 LEU LYS TYR ASN ALA LYS ASP THR ILE PHE TYR ARG ALA SEQRES 8 A 113 ALA VAL ARG LEU ARG GLU GLN GLY GLY ALA VAL LEU ARG SEQRES 9 A 113 GLN ALA ARG ARG GLN ALA GLU LYS MET HET UNN A 337 51 ATOM 1 N GLU A 627 49.199 -4.242 -14.547 1.00 28.88 N ATOM 2 CA GLU A 627 50.552 -4.097 -14.021 1.00 30.88 C ATOM 3 C GLU A 627 50.766 -2.697 -13.463 1.00 37.83 C ATOM 4 O GLU A 627 51.201 -1.794 -14.182 1.00 44.67 O ATOM 5 CB GLU A 627 51.588 -4.417 -15.104 1.00 40.66 C ATOM 6 CG GLU A 627 53.025 -4.434 -14.611 1.00 44.89 C ATOM 7 CD GLU A 627 53.975 -5.042 -15.627 1.00 53.74 C ATOM 8 OE1 GLU A 627 53.493 -5.727 -16.554 1.00 55.81 O ATOM 9 OE2 GLU A 627 55.200 -4.842 -15.497 1.00 57.06 O ATOM 10 HN3 GLU A 627 49.048 -3.550 -15.308 1.00 0.00 H ATOM 11 HN2 GLU A 627 48.512 -4.075 -13.784 1.00 0.00 H ATOM 12 HN1 GLU A 627 49.075 -5.204 -14.922 1.00 0.00 H ATOM 13 N MET A 628 50.455 -2.518 -12.179 1.00 32.25 N ATOM 14 CA MET A 628 50.578 -1.221 -11.527 1.00 27.21 C ATOM 15 C MET A 628 50.520 -1.433 -10.019 1.00 28.85 C ATOM 16 O MET A 628 50.296 -2.545 -9.530 1.00 24.37 O ATOM 17 CB MET A 628 49.487 -0.250 -12.006 1.00 32.96 C ATOM 18 CG MET A 628 48.178 -0.365 -11.251 1.00 37.15 C ATOM 19 SD MET A 628 46.691 -0.047 -12.218 1.00 37.57 S ATOM 20 CE MET A 628 46.907 -1.313 -13.465 1.00 27.27 C ATOM 21 H MET A 628 50.114 -3.330 -11.625 1.00 0.00 H ATOM 22 N GLN A 629 50.710 -0.347 -9.283 1.00 24.84 N ATOM 23 CA GLN A 629 50.653 -0.413 -7.833 1.00 21.83 C ATOM 24 C GLN A 629 49.214 -0.309 -7.342 1.00 18.77 C ATOM 25 O GLN A 629 48.400 0.439 -7.892 1.00 18.56 O ATOM 26 CB GLN A 629 51.517 0.684 -7.222 1.00 31.24 C ATOM 27 CG GLN A 629 52.968 0.252 -7.039 1.00 42.31 C ATOM 28 CD GLN A 629 53.919 1.413 -6.839 1.00 48.98 C ATOM 29 OE1 GLN A 629 53.759 2.468 -7.452 1.00 50.43 O ATOM 30 NE2 GLN A 629 54.909 1.231 -5.974 1.00 55.61 N ATOM 31 HE22 GLN A 629 55.006 0.322 -5.478 1.00 0.00 H ATOM 32 HE21 GLN A 629 55.588 1.997 -5.792 1.00 0.00 H ATOM 33 H GLN A 629 50.902 0.563 -9.749 1.00 0.00 H ATOM 34 N LEU A 630 48.914 -1.059 -6.283 1.00 17.93 N ATOM 35 CA LEU A 630 47.545 -1.187 -5.798 1.00 17.08 C ATOM 36 C LEU A 630 46.998 0.118 -5.219 1.00 17.86 C ATOM 37 O LEU A 630 45.895 0.544 -5.577 1.00 17.47 O ATOM 38 CB LEU A 630 47.479 -2.302 -4.754 1.00 22.50 C ATOM 39 CG LEU A 630 46.098 -2.585 -4.157 1.00 25.90 C ATOM 40 CD1 LEU A 630 45.068 -2.835 -5.249 1.00 32.50 C ATOM 41 CD2 LEU A 630 46.167 -3.761 -3.190 1.00 34.91 C ATOM 42 H LEU A 630 49.676 -1.566 -5.789 1.00 0.00 H ATOM 43 N THR A 631 47.748 0.767 -4.326 1.00 18.52 N ATOM 44 CA THR A 631 47.189 1.910 -3.602 1.00 19.78 C ATOM 45 C THR A 631 46.742 3.061 -4.499 1.00 18.16 C ATOM 46 O THR A 631 45.637 3.585 -4.275 1.00 19.03 O ATOM 47 CB THR A 631 48.099 2.337 -2.443 1.00 22.80 C ATOM 48 OG1 THR A 631 49.433 2.542 -2.918 1.00 21.48 O ATOM 49 CG2 THR A 631 48.106 1.268 -1.363 1.00 26.40 C ATOM 50 HG1 THR A 631 49.776 1.700 -3.309 1.00 0.00 H ATOM 51 H THR A 631 48.726 0.462 -4.145 1.00 0.00 H ATOM 52 N PRO A 632 47.507 3.506 -5.506 1.00 17.53 N ATOM 53 CA PRO A 632 46.980 4.580 -6.369 1.00 16.95 C ATOM 54 C PRO A 632 45.765 4.154 -7.163 1.00 15.82 C ATOM 55 O PRO A 632 44.885 4.977 -7.424 1.00 15.61 O ATOM 56 CB PRO A 632 48.164 4.929 -7.283 1.00 19.41 C ATOM 57 CG PRO A 632 49.374 4.377 -6.584 1.00 23.79 C ATOM 58 CD PRO A 632 48.895 3.158 -5.875 1.00 22.02 C ATOM 59 N PHE A 633 45.679 2.880 -7.543 1.00 15.63 N ATOM 60 CA PHE A 633 44.491 2.401 -8.240 1.00 14.93 C ATOM 61 C PHE A 633 43.259 2.479 -7.348 1.00 14.06 C ATOM 62 O PHE A 633 42.197 2.935 -7.781 1.00 14.22 O ATOM 63 CB PHE A 633 44.725 0.975 -8.728 1.00 16.49 C ATOM 64 CG PHE A 633 43.567 0.405 -9.489 1.00 14.44 C ATOM 65 CD1 PHE A 633 43.263 0.871 -10.755 1.00 16.16 C ATOM 66 CD2 PHE A 633 42.770 -0.575 -8.928 1.00 16.20 C ATOM 67 CE1 PHE A 633 42.186 0.355 -11.462 1.00 16.81 C ATOM 68 CE2 PHE A 633 41.689 -1.096 -9.629 1.00 15.97 C ATOM 69 CZ PHE A 633 41.404 -0.631 -10.894 1.00 16.26 C ATOM 70 H PHE A 633 46.461 2.225 -7.342 1.00 0.00 H ATOM 71 N LEU A 634 43.371 2.039 -6.093 1.00 15.18 N ATOM 72 CA LEU A 634 42.217 2.127 -5.201 1.00 15.66 C ATOM 73 C LEU A 634 41.835 3.574 -4.905 1.00 15.35 C ATOM 74 O LEU A 634 40.645 3.890 -4.802 1.00 15.65 O ATOM 75 CB LEU A 634 42.459 1.344 -3.911 1.00 18.67 C ATOM 76 CG LEU A 634 42.636 -0.165 -4.117 1.00 19.63 C ATOM 77 CD1 LEU A 634 42.905 -0.852 -2.788 1.00 26.42 C ATOM 78 CD2 LEU A 634 41.436 -0.786 -4.815 1.00 22.53 C ATOM 79 H LEU A 634 44.269 1.638 -5.754 1.00 0.00 H ATOM 80 N ILE A 635 42.824 4.467 -4.759 1.00 15.53 N ATOM 81 CA ILE A 635 42.529 5.892 -4.600 1.00 16.27 C ATOM 82 C ILE A 635 41.724 6.402 -5.789 1.00 14.75 C ATOM 83 O ILE A 635 40.732 7.124 -5.631 1.00 15.85 O ATOM 84 CB ILE A 635 43.831 6.690 -4.380 1.00 17.37 C ATOM 85 CG1 ILE A 635 44.423 6.373 -3.000 1.00 19.67 C ATOM 86 CG2 ILE A 635 43.593 8.191 -4.540 1.00 19.19 C ATOM 87 CD1 ILE A 635 45.871 6.823 -2.815 1.00 21.46 C ATOM 88 H ILE A 635 43.812 4.144 -4.759 1.00 0.00 H ATOM 89 N LEU A 636 42.127 6.004 -6.999 1.00 15.79 N ATOM 90 CA LEU A 636 41.400 6.404 -8.196 1.00 13.45 C ATOM 91 C LEU A 636 39.982 5.854 -8.188 1.00 13.39 C ATOM 92 O LEU A 636 39.035 6.572 -8.522 1.00 13.89 O ATOM 93 CB LEU A 636 42.157 5.954 -9.443 1.00 15.85 C ATOM 94 CG LEU A 636 41.390 6.071 -10.764 1.00 14.23 C ATOM 95 CD1 LEU A 636 41.103 7.526 -11.126 1.00 17.15 C ATOM 96 CD2 LEU A 636 42.164 5.387 -11.871 1.00 17.17 C ATOM 97 H LEU A 636 42.970 5.401 -7.087 1.00 0.00 H ATOM 98 N LEU A 637 39.809 4.583 -7.817 1.00 13.50 N ATOM 99 CA LEU A 637 38.458 4.029 -7.779 1.00 13.75 C ATOM 100 C LEU A 637 37.583 4.733 -6.748 1.00 13.80 C ATOM 101 O LEU A 637 36.395 4.960 -6.997 1.00 13.72 O ATOM 102 CB LEU A 637 38.481 2.522 -7.543 1.00 14.40 C ATOM 103 CG LEU A 637 39.007 1.653 -8.686 1.00 14.53 C ATOM 104 CD1 LEU A 637 38.679 0.202 -8.403 1.00 17.32 C ATOM 105 CD2 LEU A 637 38.433 2.070 -10.029 1.00 16.90 C ATOM 106 H LEU A 637 40.626 3.995 -7.558 1.00 0.00 H ATOM 107 N ARG A 638 38.145 5.086 -5.586 1.00 14.87 N ATOM 108 CA ARG A 638 37.372 5.811 -4.578 1.00 15.74 C ATOM 109 C ARG A 638 36.895 7.148 -5.121 1.00 14.64 C ATOM 110 O ARG A 638 35.723 7.507 -4.973 1.00 15.65 O ATOM 111 CB ARG A 638 38.207 6.020 -3.312 1.00 17.00 C ATOM 112 CG ARG A 638 38.455 4.747 -2.526 1.00 18.18 C ATOM 113 CD ARG A 638 39.286 4.985 -1.259 1.00 20.87 C ATOM 114 NE ARG A 638 39.673 3.700 -0.686 1.00 21.71 N ATOM 115 CZ ARG A 638 40.912 3.220 -0.664 1.00 23.97 C ATOM 116 NH1 ARG A 638 41.927 3.936 -1.133 1.00 25.30 N ATOM 117 NH2 ARG A 638 41.130 2.019 -0.157 1.00 24.67 N ATOM 118 HE ARG A 638 38.923 3.116 -0.263 1.00 0.00 H ATOM 119 HH12 ARG A 638 42.892 3.548 -1.110 1.00 0.00 H ATOM 120 HH11 ARG A 638 41.757 4.885 -1.524 1.00 0.00 H ATOM 121 HH22 ARG A 638 42.095 1.632 -0.134 1.00 0.00 H ATOM 122 HH21 ARG A 638 40.337 1.461 0.219 1.00 0.00 H ATOM 123 H ARG A 638 39.139 4.843 -5.398 1.00 0.00 H ATOM 124 N LYS A 639 37.797 7.889 -5.770 1.00 14.63 N ATOM 125 CA LYS A 639 37.432 9.167 -6.376 1.00 15.81 C ATOM 126 C LYS A 639 36.373 8.975 -7.448 1.00 14.84 C ATOM 127 O LYS A 639 35.409 9.746 -7.538 1.00 14.98 O ATOM 128 CB LYS A 639 38.680 9.812 -6.980 1.00 18.00 C ATOM 129 CG LYS A 639 38.445 11.123 -7.714 1.00 18.76 C ATOM 130 CD LYS A 639 39.744 11.585 -8.374 1.00 26.21 C ATOM 131 CE LYS A 639 39.653 13.023 -8.845 1.00 39.54 C ATOM 132 NZ LYS A 639 39.332 13.096 -10.291 1.00 50.76 N ATOM 133 HZ1 LYS A 639 40.077 12.615 -10.835 1.00 0.00 H ATOM 134 HZ2 LYS A 639 38.418 12.631 -10.466 1.00 0.00 H ATOM 135 HZ3 LYS A 639 39.277 14.093 -10.583 1.00 0.00 H ATOM 136 H LYS A 639 38.777 7.550 -5.845 1.00 0.00 H ATOM 137 N THR A 640 36.539 7.948 -8.273 1.00 14.16 N ATOM 138 CA THR A 640 35.595 7.699 -9.356 1.00 14.37 C ATOM 139 C THR A 640 34.224 7.340 -8.811 1.00 12.28 C ATOM 140 O THR A 640 33.202 7.798 -9.342 1.00 13.32 O ATOM 141 CB THR A 640 36.122 6.576 -10.251 1.00 13.14 C ATOM 142 OG1 THR A 640 37.437 6.902 -10.703 1.00 14.42 O ATOM 143 CG2 THR A 640 35.230 6.383 -11.458 1.00 13.40 C ATOM 144 HG1 THR A 640 38.036 7.010 -9.922 1.00 0.00 H ATOM 145 H THR A 640 37.353 7.313 -8.145 1.00 0.00 H ATOM 146 N LEU A 641 34.181 6.513 -7.763 1.00 14.34 N ATOM 147 CA LEU A 641 32.903 6.147 -7.173 1.00 14.30 C ATOM 148 C LEU A 641 32.195 7.375 -6.617 1.00 14.20 C ATOM 149 O LEU A 641 30.983 7.530 -6.794 1.00 14.58 O ATOM 150 CB LEU A 641 33.114 5.077 -6.100 1.00 15.42 C ATOM 151 CG LEU A 641 31.859 4.523 -5.427 1.00 15.72 C ATOM 152 CD1 LEU A 641 30.942 3.885 -6.443 1.00 19.69 C ATOM 153 CD2 LEU A 641 32.254 3.497 -4.375 1.00 19.21 C ATOM 154 H LEU A 641 35.063 6.130 -7.368 1.00 0.00 H ATOM 155 N GLU A 642 32.940 8.280 -5.981 1.00 14.94 N ATOM 156 CA GLU A 642 32.344 9.528 -5.505 1.00 16.35 C ATOM 157 C GLU A 642 31.790 10.355 -6.658 1.00 14.54 C ATOM 158 O GLU A 642 30.690 10.913 -6.559 1.00 16.01 O ATOM 159 CB GLU A 642 33.379 10.333 -4.718 1.00 17.89 C ATOM 160 CG GLU A 642 33.772 9.707 -3.396 1.00 27.55 C ATOM 161 CD GLU A 642 34.783 10.537 -2.630 1.00 47.78 C ATOM 162 OE1 GLU A 642 35.554 11.279 -3.270 1.00 50.93 O ATOM 163 OE2 GLU A 642 34.812 10.441 -1.386 1.00 54.42 O ATOM 164 H GLU A 642 33.951 8.097 -5.822 1.00 0.00 H ATOM 165 N GLN A 643 32.529 10.433 -7.765 1.00 13.79 N ATOM 166 CA GLN A 643 32.054 11.173 -8.929 1.00 14.26 C ATOM 167 C GLN A 643 30.781 10.569 -9.502 1.00 14.25 C ATOM 168 O GLN A 643 29.885 11.292 -9.953 1.00 15.42 O ATOM 169 CB GLN A 643 33.150 11.262 -9.994 1.00 15.26 C ATOM 170 CG GLN A 643 34.337 12.101 -9.548 1.00 17.85 C ATOM 171 CD GLN A 643 35.481 12.112 -10.532 1.00 21.01 C ATOM 172 OE1 GLN A 643 36.178 13.117 -10.670 1.00 26.57 O ATOM 173 NE2 GLN A 643 35.689 11.007 -11.214 1.00 17.58 N ATOM 174 HE22 GLN A 643 35.075 10.181 -11.065 1.00 0.00 H ATOM 175 HE21 GLN A 643 36.468 10.959 -11.902 1.00 0.00 H ATOM 176 H GLN A 643 33.455 9.961 -7.799 1.00 0.00 H ATOM 177 N LEU A 644 30.682 9.242 -9.513 1.00 13.96 N ATOM 178 CA LEU A 644 29.463 8.602 -9.995 1.00 14.55 C ATOM 179 C LEU A 644 28.292 8.883 -9.065 1.00 14.57 C ATOM 180 O LEU A 644 27.185 9.200 -9.529 1.00 14.79 O ATOM 181 CB LEU A 644 29.697 7.096 -10.143 1.00 15.41 C ATOM 182 CG LEU A 644 30.671 6.703 -11.256 1.00 14.95 C ATOM 183 CD1 LEU A 644 30.990 5.218 -11.187 1.00 17.64 C ATOM 184 CD2 LEU A 644 30.100 7.050 -12.615 1.00 16.34 C ATOM 185 H LEU A 644 31.476 8.660 -9.177 1.00 0.00 H ATOM 186 N GLN A 645 28.514 8.773 -7.754 1.00 14.83 N ATOM 187 CA GLN A 645 27.450 9.043 -6.792 1.00 16.57 C ATOM 188 C GLN A 645 26.952 10.475 -6.886 1.00 18.02 C ATOM 189 O GLN A 645 25.766 10.735 -6.637 1.00 18.42 O ATOM 190 CB GLN A 645 27.933 8.763 -5.367 1.00 19.77 C ATOM 191 CG GLN A 645 28.150 7.298 -5.107 1.00 21.13 C ATOM 192 CD GLN A 645 27.866 6.899 -3.674 1.00 25.72 C ATOM 193 OE1 GLN A 645 28.753 6.415 -2.978 1.00 30.18 O ATOM 194 NE2 GLN A 645 26.617 7.072 -3.236 1.00 25.97 N ATOM 195 HE22 GLN A 645 25.899 7.487 -3.863 1.00 0.00 H ATOM 196 HE21 GLN A 645 26.362 6.792 -2.267 1.00 0.00 H ATOM 197 H GLN A 645 29.456 8.492 -7.414 1.00 0.00 H ATOM 198 N GLU A 646 27.839 11.417 -7.222 1.00 15.55 N ATOM 199 CA GLU A 646 27.432 12.808 -7.391 1.00 16.53 C ATOM 200 C GLU A 646 26.402 12.952 -8.497 1.00 16.20 C ATOM 201 O GLU A 646 25.578 13.872 -8.464 1.00 17.78 O ATOM 202 CB GLU A 646 28.652 13.669 -7.716 1.00 18.84 C ATOM 203 CG GLU A 646 29.552 13.975 -6.534 1.00 24.97 C ATOM 204 CD GLU A 646 30.873 14.598 -6.958 1.00 36.88 C ATOM 205 OE1 GLU A 646 30.977 15.056 -8.117 1.00 36.71 O ATOM 206 OE2 GLU A 646 31.809 14.629 -6.132 1.00 44.90 O ATOM 207 H GLU A 646 28.835 11.154 -7.365 1.00 0.00 H ATOM 208 N LYS A 647 26.427 12.063 -9.488 1.00 15.18 N ATOM 209 CA LYS A 647 25.431 12.110 -10.551 1.00 15.31 C ATOM 210 C LYS A 647 24.069 11.605 -10.105 1.00 18.04 C ATOM 211 O LYS A 647 23.057 11.941 -10.738 1.00 21.69 O ATOM 212 CB LYS A 647 25.907 11.342 -11.788 1.00 16.56 C ATOM 213 CG LYS A 647 27.249 11.793 -12.337 1.00 16.87 C ATOM 214 CD LYS A 647 27.276 13.262 -12.695 1.00 19.42 C ATOM 215 CE LYS A 647 28.616 13.612 -13.314 1.00 21.79 C ATOM 216 NZ LYS A 647 28.783 15.073 -13.494 1.00 25.97 N ATOM 217 HZ1 LYS A 647 28.033 15.432 -14.119 1.00 0.00 H ATOM 218 HZ2 LYS A 647 28.720 15.544 -12.569 1.00 0.00 H ATOM 219 HZ3 LYS A 647 29.712 15.265 -13.920 1.00 0.00 H ATOM 220 H LYS A 647 27.163 11.329 -9.504 1.00 0.00 H ATOM 221 N ASP A 648 24.008 10.846 -9.014 1.00 15.52 N ATOM 222 CA ASP A 648 22.745 10.348 -8.467 1.00 17.48 C ATOM 223 C ASP A 648 22.288 11.319 -7.383 1.00 14.81 C ATOM 224 O ASP A 648 22.451 11.104 -6.185 1.00 15.94 O ATOM 225 CB ASP A 648 22.961 8.938 -7.928 1.00 15.72 C ATOM 226 CG ASP A 648 21.767 8.390 -7.167 1.00 17.53 C ATOM 227 OD1 ASP A 648 20.618 8.827 -7.417 1.00 17.16 O ATOM 228 OD2 ASP A 648 21.992 7.498 -6.315 1.00 16.85 O ATOM 229 H ASP A 648 24.894 10.596 -8.530 1.00 0.00 H ATOM 230 N THR A 649 21.672 12.419 -7.830 1.00 17.72 N ATOM 231 CA THR A 649 21.374 13.517 -6.909 1.00 20.25 C ATOM 232 C THR A 649 20.284 13.160 -5.895 1.00 16.58 C ATOM 233 O THR A 649 20.308 13.656 -4.758 1.00 19.06 O ATOM 234 CB THR A 649 20.993 14.780 -7.683 1.00 21.06 C ATOM 235 OG1 THR A 649 19.803 14.529 -8.430 1.00 19.64 O ATOM 236 CG2 THR A 649 22.108 15.183 -8.645 1.00 20.94 C ATOM 237 HG1 THR A 649 19.552 15.344 -8.933 1.00 0.00 H ATOM 238 H THR A 649 21.405 12.494 -8.832 1.00 0.00 H ATOM 239 N GLY A 650 19.329 12.314 -6.289 1.00 18.90 N ATOM 240 CA GLY A 650 18.304 11.875 -5.362 1.00 21.99 C ATOM 241 C GLY A 650 18.729 10.750 -4.457 1.00 20.20 C ATOM 242 O GLY A 650 17.961 10.353 -3.573 1.00 21.30 O ATOM 243 H GLY A 650 19.320 11.967 -7.269 1.00 0.00 H ATOM 244 N ASN A 651 19.938 10.221 -4.673 1.00 17.70 N ATOM 245 CA ASN A 651 20.484 9.148 -3.851 1.00 19.01 C ATOM 246 C ASN A 651 19.619 7.894 -3.924 1.00 16.93 C ATOM 247 O ASN A 651 19.555 7.114 -2.970 1.00 19.50 O ATOM 248 CB ASN A 651 20.756 9.600 -2.413 1.00 20.33 C ATOM 249 CG ASN A 651 21.976 10.494 -2.319 1.00 23.78 C ATOM 250 OD1 ASN A 651 22.999 10.222 -2.946 1.00 24.25 O ATOM 251 ND2 ASN A 651 21.872 11.570 -1.552 1.00 30.29 N ATOM 252 HD22 ASN A 651 20.987 11.760 -1.040 1.00 0.00 H ATOM 253 HD21 ASN A 651 22.675 12.224 -1.462 1.00 0.00 H ATOM 254 H ASN A 651 20.511 10.590 -5.458 1.00 0.00 H ATOM 255 N ILE A 652 18.953 7.699 -5.060 1.00 16.73 N ATOM 256 CA ILE A 652 18.102 6.528 -5.230 1.00 17.42 C ATOM 257 C ILE A 652 18.904 5.260 -5.493 1.00 15.99 C ATOM 258 O ILE A 652 18.359 4.160 -5.339 1.00 18.46 O ATOM 259 CB ILE A 652 16.998 6.760 -6.276 1.00 17.70 C ATOM 260 CG1 ILE A 652 17.603 6.971 -7.663 1.00 18.58 C ATOM 261 CG2 ILE A 652 16.125 7.952 -5.875 1.00 21.20 C ATOM 262 CD1 ILE A 652 16.560 7.055 -8.771 1.00 20.10 C ATOM 263 H ILE A 652 19.041 8.389 -5.833 1.00 0.00 H ATOM 264 N PHE A 653 20.180 5.382 -5.875 1.00 15.06 N ATOM 265 CA PHE A 653 21.069 4.242 -6.077 1.00 13.76 C ATOM 266 C PHE A 653 22.085 4.094 -4.949 1.00 15.68 C ATOM 267 O PHE A 653 23.016 3.292 -5.063 1.00 15.40 O ATOM 268 CB PHE A 653 21.770 4.345 -7.434 1.00 14.82 C ATOM 269 CG PHE A 653 20.820 4.461 -8.594 1.00 14.49 C ATOM 270 CD1 PHE A 653 19.993 3.406 -8.938 1.00 15.28 C ATOM 271 CD2 PHE A 653 20.740 5.634 -9.324 1.00 16.08 C ATOM 272 CE1 PHE A 653 19.102 3.516 -10.008 1.00 15.55 C ATOM 273 CE2 PHE A 653 19.855 5.756 -10.391 1.00 15.73 C ATOM 274 CZ PHE A 653 19.048 4.691 -10.738 1.00 14.91 C ATOM 275 H PHE A 653 20.558 6.337 -6.036 1.00 0.00 H ATOM 276 N SER A 654 21.901 4.826 -3.844 1.00 15.40 N ATOM 277 CA SER A 654 22.914 4.879 -2.793 1.00 17.02 C ATOM 278 C SER A 654 22.947 3.614 -1.946 1.00 17.93 C ATOM 279 O SER A 654 23.999 3.274 -1.400 1.00 18.97 O ATOM 280 CB SER A 654 22.675 6.088 -1.889 1.00 18.48 C ATOM 281 OG SER A 654 22.946 7.302 -2.562 1.00 18.20 O ATOM 282 HG SER A 654 23.892 7.312 -2.855 1.00 0.00 H ATOM 283 H SER A 654 21.020 5.367 -3.731 1.00 0.00 H ATOM 284 N GLU A 655 21.821 2.925 -1.797 1.00 16.35 N ATOM 285 CA GLU A 655 21.709 1.765 -0.926 1.00 17.62 C ATOM 286 C GLU A 655 20.959 0.673 -1.668 1.00 16.86 C ATOM 287 O GLU A 655 20.297 0.946 -2.674 1.00 16.09 O ATOM 288 CB GLU A 655 20.941 2.135 0.352 1.00 21.19 C ATOM 289 CG GLU A 655 21.618 3.217 1.189 1.00 28.30 C ATOM 290 CD GLU A 655 20.816 3.613 2.412 1.00 41.01 C ATOM 291 OE1 GLU A 655 19.581 3.432 2.404 1.00 39.82 O ATOM 292 OE2 GLU A 655 21.426 4.114 3.379 1.00 48.82 O ATOM 293 H GLU A 655 20.980 3.229 -2.328 1.00 0.00 H ATOM 294 N PRO A 656 21.045 -0.577 -1.207 1.00 18.23 N ATOM 295 CA PRO A 656 20.298 -1.646 -1.879 1.00 17.77 C ATOM 296 C PRO A 656 18.818 -1.309 -1.988 1.00 19.27 C ATOM 297 O PRO A 656 18.228 -0.704 -1.087 1.00 20.25 O ATOM 298 CB PRO A 656 20.531 -2.864 -0.977 1.00 21.59 C ATOM 299 CG PRO A 656 21.829 -2.588 -0.308 1.00 21.59 C ATOM 300 CD PRO A 656 21.855 -1.097 -0.089 1.00 19.23 C ATOM 301 N VAL A 657 18.225 -1.689 -3.117 1.00 19.66 N ATOM 302 CA VAL A 657 16.776 -1.623 -3.274 1.00 19.33 C ATOM 303 C VAL A 657 16.179 -2.360 -2.082 1.00 21.09 C ATOM 304 O VAL A 657 16.553 -3.513 -1.823 1.00 22.30 O ATOM 305 CB VAL A 657 16.342 -2.220 -4.621 1.00 18.90 C ATOM 306 CG1 VAL A 657 14.820 -2.288 -4.717 1.00 23.48 C ATOM 307 CG2 VAL A 657 16.929 -1.392 -5.766 1.00 18.97 C ATOM 308 H VAL A 657 18.807 -2.040 -3.904 1.00 0.00 H ATOM 309 N PRO A 658 15.301 -1.729 -1.314 1.00 22.49 N ATOM 310 CA PRO A 658 14.815 -2.341 -0.069 1.00 22.28 C ATOM 311 C PRO A 658 13.780 -3.415 -0.357 1.00 25.00 C ATOM 312 O PRO A 658 12.673 -3.128 -0.822 1.00 26.77 O ATOM 313 CB PRO A 658 14.212 -1.149 0.691 1.00 23.75 C ATOM 314 CG PRO A 658 13.798 -0.190 -0.383 1.00 26.99 C ATOM 315 CD PRO A 658 14.782 -0.364 -1.519 1.00 22.76 C ATOM 316 N LEU A 659 14.134 -4.665 -0.056 1.00 27.56 N ATOM 317 CA LEU A 659 13.227 -5.773 -0.327 1.00 33.45 C ATOM 318 C LEU A 659 11.947 -5.692 0.498 1.00 40.34 C ATOM 319 O LEU A 659 10.952 -6.327 0.135 1.00 41.61 O ATOM 320 CB LEU A 659 13.940 -7.106 -0.101 1.00 35.79 C ATOM 321 CG LEU A 659 15.240 -7.285 -0.886 1.00 37.52 C ATOM 322 CD1 LEU A 659 15.901 -8.617 -0.558 1.00 42.10 C ATOM 323 CD2 LEU A 659 14.984 -7.162 -2.381 1.00 35.17 C ATOM 324 H LEU A 659 15.062 -4.850 0.374 1.00 0.00 H ATOM 325 N SER A 660 11.941 -4.918 1.585 1.00 33.55 N ATOM 326 CA SER A 660 10.726 -4.754 2.378 1.00 44.70 C ATOM 327 C SER A 660 9.716 -3.844 1.691 1.00 40.26 C ATOM 328 O SER A 660 8.508 -3.986 1.915 1.00 39.94 O ATOM 329 CB SER A 660 11.070 -4.203 3.763 1.00 51.99 C ATOM 330 OG SER A 660 11.286 -2.803 3.712 1.00 51.83 O ATOM 331 HG SER A 660 12.036 -2.608 3.096 1.00 0.00 H ATOM 332 H SER A 660 12.812 -4.426 1.871 1.00 0.00 H ATOM 333 N GLU A 661 10.188 -2.905 0.872 1.00 34.22 N ATOM 334 CA GLU A 661 9.318 -2.063 0.064 1.00 33.36 C ATOM 335 C GLU A 661 9.087 -2.631 -1.325 1.00 34.55 C ATOM 336 O GLU A 661 8.072 -2.309 -1.953 1.00 32.79 O ATOM 337 CB GLU A 661 9.937 -0.668 -0.093 1.00 37.58 C ATOM 338 CG GLU A 661 10.413 -0.042 1.207 1.00 43.37 C ATOM 339 CD GLU A 661 9.272 0.268 2.153 1.00 47.54 C ATOM 340 OE1 GLU A 661 8.282 0.885 1.707 1.00 46.71 O ATOM 341 OE2 GLU A 661 9.365 -0.103 3.342 1.00 46.16 O ATOM 342 H GLU A 661 11.217 -2.768 0.808 1.00 0.00 H ATOM 343 N VAL A 662 10.013 -3.448 -1.817 1.00 31.89 N ATOM 344 CA VAL A 662 9.944 -4.049 -3.146 1.00 27.08 C ATOM 345 C VAL A 662 10.072 -5.559 -2.975 1.00 29.40 C ATOM 346 O VAL A 662 11.128 -6.126 -3.295 1.00 28.40 O ATOM 347 CB VAL A 662 11.058 -3.501 -4.051 1.00 29.09 C ATOM 348 CG1 VAL A 662 10.763 -3.809 -5.505 1.00 28.35 C ATOM 349 CG2 VAL A 662 11.241 -1.999 -3.833 1.00 28.42 C ATOM 350 H VAL A 662 10.835 -3.672 -1.220 1.00 0.00 H ATOM 351 N PRO A 663 9.038 -6.243 -2.473 1.00 33.30 N ATOM 352 CA PRO A 663 9.199 -7.658 -2.091 1.00 31.98 C ATOM 353 C PRO A 663 9.502 -8.608 -3.235 1.00 35.78 C ATOM 354 O PRO A 663 10.038 -9.693 -2.978 1.00 34.06 O ATOM 355 CB PRO A 663 7.862 -8.003 -1.419 1.00 33.90 C ATOM 356 CG PRO A 663 7.265 -6.693 -1.036 1.00 38.47 C ATOM 357 CD PRO A 663 7.729 -5.706 -2.062 1.00 38.68 C ATOM 358 N ASP A 664 9.172 -8.258 -4.477 1.00 32.71 N ATOM 359 CA ASP A 664 9.380 -9.145 -5.615 1.00 29.49 C ATOM 360 C ASP A 664 10.688 -8.873 -6.354 1.00 32.08 C ATOM 361 O ASP A 664 10.923 -9.465 -7.412 1.00 31.40 O ATOM 362 CB ASP A 664 8.195 -9.055 -6.579 1.00 38.11 C ATOM 363 CG ASP A 664 8.118 -7.714 -7.295 1.00 40.99 C ATOM 364 OD1 ASP A 664 8.739 -6.736 -6.826 1.00 35.18 O ATOM 365 OD2 ASP A 664 7.424 -7.637 -8.331 1.00 41.94 O ATOM 366 H ASP A 664 8.752 -7.321 -4.640 1.00 0.00 H ATOM 367 N TYR A 665 11.549 -8.010 -5.810 1.00 29.68 N ATOM 368 CA TYR A 665 12.695 -7.513 -6.567 1.00 26.34 C ATOM 369 C TYR A 665 13.625 -8.642 -7.000 1.00 25.66 C ATOM 370 O TYR A 665 14.078 -8.681 -8.149 1.00 27.93 O ATOM 371 CB TYR A 665 13.449 -6.481 -5.734 1.00 26.01 C ATOM 372 CG TYR A 665 14.488 -5.732 -6.522 1.00 22.00 C ATOM 373 CD1 TYR A 665 14.120 -4.797 -7.486 1.00 20.21 C ATOM 374 CD2 TYR A 665 15.838 -5.962 -6.309 1.00 22.92 C ATOM 375 CE1 TYR A 665 15.072 -4.109 -8.214 1.00 18.78 C ATOM 376 CE2 TYR A 665 16.797 -5.283 -7.029 1.00 21.21 C ATOM 377 CZ TYR A 665 16.410 -4.358 -7.977 1.00 16.97 C ATOM 378 OH TYR A 665 17.387 -3.691 -8.678 1.00 17.29 O ATOM 379 HH TYR A 665 16.964 -3.065 -9.317 1.00 0.00 H ATOM 380 H TYR A 665 11.402 -7.687 -4.833 1.00 0.00 H ATOM 381 N LEU A 666 13.929 -9.572 -6.089 1.00 28.70 N ATOM 382 CA LEU A 666 14.865 -10.642 -6.415 1.00 30.62 C ATOM 383 C LEU A 666 14.278 -11.669 -7.373 1.00 36.70 C ATOM 384 O LEU A 666 15.035 -12.484 -7.915 1.00 34.63 O ATOM 385 CB LEU A 666 15.348 -11.348 -5.147 1.00 34.11 C ATOM 386 CG LEU A 666 16.056 -10.521 -4.072 1.00 30.42 C ATOM 387 CD1 LEU A 666 16.777 -11.441 -3.099 1.00 36.91 C ATOM 388 CD2 LEU A 666 17.020 -9.523 -4.683 1.00 29.34 C ATOM 389 H LEU A 666 13.496 -9.532 -5.144 1.00 0.00 H ATOM 390 N ASP A 667 12.960 -11.659 -7.585 1.00 36.50 N ATOM 391 CA ASP A 667 12.367 -12.554 -8.572 1.00 44.00 C ATOM 392 C ASP A 667 12.877 -12.248 -9.971 1.00 43.31 C ATOM 393 O ASP A 667 12.991 -13.156 -10.801 1.00 40.08 O ATOM 394 CB ASP A 667 10.842 -12.446 -8.540 1.00 47.55 C ATOM 395 CG ASP A 667 10.243 -12.976 -7.256 1.00 52.87 C ATOM 396 OD1 ASP A 667 10.888 -13.821 -6.600 1.00 57.18 O ATOM 397 OD2 ASP A 667 9.125 -12.550 -6.903 1.00 58.67 O ATOM 398 H ASP A 667 12.353 -11.010 -7.044 1.00 0.00 H ATOM 399 N HIS A 668 13.201 -10.980 -10.246 1.00 33.19 N ATOM 400 CA HIS A 668 13.625 -10.555 -11.571 1.00 38.82 C ATOM 401 C HIS A 668 15.083 -10.129 -11.650 1.00 24.60 C ATOM 402 O HIS A 668 15.655 -10.159 -12.744 1.00 34.12 O ATOM 403 CB HIS A 668 12.763 -9.383 -12.065 1.00 48.41 C ATOM 404 CG HIS A 668 11.304 -9.523 -11.760 1.00 54.59 C ATOM 405 ND1 HIS A 668 10.768 -9.218 -10.527 1.00 56.60 N ATOM 406 CD2 HIS A 668 10.267 -9.924 -12.532 1.00 55.54 C ATOM 407 CE1 HIS A 668 9.465 -9.430 -10.551 1.00 54.84 C ATOM 408 NE2 HIS A 668 9.135 -9.858 -11.756 1.00 55.64 N ATOM 409 H HIS A 668 13.148 -10.273 -9.486 1.00 0.00 H ATOM 410 N ILE A 669 15.689 -9.732 -10.537 1.00 26.63 N ATOM 411 CA ILE A 669 17.033 -9.167 -10.522 1.00 24.92 C ATOM 412 C ILE A 669 17.949 -10.171 -9.829 1.00 26.70 C ATOM 413 O ILE A 669 17.849 -10.383 -8.615 1.00 26.35 O ATOM 414 CB ILE A 669 17.059 -7.800 -9.826 1.00 24.22 C ATOM 415 CG1 ILE A 669 16.124 -6.813 -10.537 1.00 23.98 C ATOM 416 CG2 ILE A 669 18.480 -7.282 -9.746 1.00 23.32 C ATOM 417 CD1 ILE A 669 16.350 -6.700 -12.036 1.00 22.35 C ATOM 418 H ILE A 669 15.181 -9.829 -9.634 1.00 0.00 H ATOM 419 N LYS A 670 18.859 -10.772 -10.596 1.00 25.07 N ATOM 420 CA LYS A 670 19.687 -11.848 -10.059 1.00 27.56 C ATOM 421 C LYS A 670 20.901 -11.335 -9.292 1.00 24.01 C ATOM 422 O LYS A 670 21.384 -12.023 -8.385 1.00 27.50 O ATOM 423 CB LYS A 670 20.110 -12.809 -11.171 1.00 36.45 C ATOM 424 CG LYS A 670 20.841 -12.146 -12.325 1.00 42.53 C ATOM 425 H LYS A 670 18.980 -10.472 -11.584 1.00 0.00 H ATOM 426 N LYS A 671 21.412 -10.147 -9.623 1.00 24.05 N ATOM 427 CA LYS A 671 22.534 -9.552 -8.897 1.00 21.64 C ATOM 428 C LYS A 671 22.242 -8.087 -8.604 1.00 18.26 C ATOM 429 O LYS A 671 22.630 -7.195 -9.373 1.00 19.42 O ATOM 430 CB LYS A 671 23.860 -9.712 -9.636 1.00 24.86 C ATOM 431 CG LYS A 671 25.056 -9.391 -8.748 1.00 31.28 C ATOM 432 CD LYS A 671 26.388 -9.539 -9.465 1.00 31.76 C ATOM 433 CE LYS A 671 27.494 -8.830 -8.690 1.00 35.07 C ATOM 434 NZ LYS A 671 28.839 -9.037 -9.294 1.00 45.39 N ATOM 435 HZ1 LYS A 671 29.059 -10.053 -9.308 1.00 0.00 H ATOM 436 HZ2 LYS A 671 28.842 -8.667 -10.266 1.00 0.00 H ATOM 437 HZ3 LYS A 671 29.553 -8.534 -8.729 1.00 0.00 H ATOM 438 H LYS A 671 20.999 -9.627 -10.423 1.00 0.00 H ATOM 439 N PRO A 672 21.566 -7.802 -7.492 1.00 18.45 N ATOM 440 CA PRO A 672 21.349 -6.405 -7.098 1.00 19.35 C ATOM 441 C PRO A 672 22.676 -5.684 -6.917 1.00 19.25 C ATOM 442 O PRO A 672 23.693 -6.287 -6.571 1.00 19.22 O ATOM 443 CB PRO A 672 20.611 -6.526 -5.762 1.00 19.43 C ATOM 444 CG PRO A 672 20.018 -7.908 -5.760 1.00 26.60 C ATOM 445 CD PRO A 672 20.967 -8.760 -6.546 1.00 22.24 C ATOM 446 N MET A 673 22.661 -4.373 -7.146 1.00 15.89 N ATOM 447 CA MET A 673 23.852 -3.564 -6.937 1.00 14.82 C ATOM 448 C MET A 673 23.429 -2.143 -6.588 1.00 13.53 C ATOM 449 O MET A 673 22.345 -1.693 -6.966 1.00 15.17 O ATOM 450 CB MET A 673 24.775 -3.616 -8.168 1.00 16.77 C ATOM 451 CG MET A 673 26.170 -3.016 -7.979 1.00 15.51 C ATOM 452 SD MET A 673 27.079 -3.621 -6.547 1.00 16.41 S ATOM 453 CE MET A 673 27.072 -5.379 -6.860 1.00 17.12 C ATOM 454 H MET A 673 21.786 -3.921 -7.479 1.00 0.00 H ATOM 455 N ASP A 674 24.304 -1.440 -5.881 1.00 15.15 N ATOM 456 CA ASP A 674 24.073 -0.073 -5.425 1.00 14.69 C ATOM 457 C ASP A 674 25.429 0.491 -5.028 1.00 14.44 C ATOM 458 O ASP A 674 26.415 -0.240 -4.919 1.00 14.49 O ATOM 459 CB ASP A 674 23.126 -0.049 -4.230 1.00 15.56 C ATOM 460 CG ASP A 674 23.715 -0.759 -3.053 1.00 15.91 C ATOM 461 OD1 ASP A 674 23.601 -2.006 -2.985 1.00 17.68 O ATOM 462 OD2 ASP A 674 24.358 -0.078 -2.234 1.00 17.76 O ATOM 463 H ASP A 674 25.209 -1.890 -5.637 1.00 0.00 H ATOM 464 N PHE A 675 25.468 1.793 -4.769 1.00 13.92 N ATOM 465 CA PHE A 675 26.755 2.436 -4.530 1.00 14.72 C ATOM 466 C PHE A 675 27.353 2.081 -3.172 1.00 15.05 C ATOM 467 O PHE A 675 28.583 2.069 -3.038 1.00 15.82 O ATOM 468 CB PHE A 675 26.637 3.947 -4.649 1.00 14.54 C ATOM 469 CG PHE A 675 26.499 4.450 -6.060 1.00 14.19 C ATOM 470 CD1 PHE A 675 27.412 4.098 -7.038 1.00 15.01 C ATOM 471 CD2 PHE A 675 25.463 5.304 -6.389 1.00 14.89 C ATOM 472 CE1 PHE A 675 27.282 4.594 -8.338 1.00 16.29 C ATOM 473 CE2 PHE A 675 25.332 5.809 -7.674 1.00 16.13 C ATOM 474 CZ PHE A 675 26.239 5.458 -8.648 1.00 15.26 C ATOM 475 H PHE A 675 24.589 2.349 -4.737 1.00 0.00 H ATOM 476 N PHE A 676 26.524 1.829 -2.151 1.00 15.35 N ATOM 477 CA PHE A 676 27.067 1.398 -0.866 1.00 15.18 C ATOM 478 C PHE A 676 27.760 0.050 -1.005 1.00 16.16 C ATOM 479 O PHE A 676 28.887 -0.140 -0.528 1.00 17.31 O ATOM 480 CB PHE A 676 25.952 1.326 0.183 1.00 17.29 C ATOM 481 CG PHE A 676 26.426 0.896 1.543 1.00 20.52 C ATOM 482 CD1 PHE A 676 26.941 1.822 2.435 1.00 25.33 C ATOM 483 CD2 PHE A 676 26.352 -0.430 1.930 1.00 22.12 C ATOM 484 CE1 PHE A 676 27.379 1.431 3.696 1.00 26.65 C ATOM 485 CE2 PHE A 676 26.790 -0.825 3.188 1.00 27.04 C ATOM 486 CZ PHE A 676 27.302 0.110 4.063 1.00 28.61 C ATOM 487 H PHE A 676 25.497 1.940 -2.273 1.00 0.00 H ATOM 488 N THR A 677 27.092 -0.906 -1.657 1.00 16.16 N ATOM 489 CA THR A 677 27.698 -2.211 -1.902 1.00 16.89 C ATOM 490 C THR A 677 28.980 -2.075 -2.717 1.00 16.02 C ATOM 491 O THR A 677 29.965 -2.772 -2.447 1.00 17.20 O ATOM 492 CB THR A 677 26.684 -3.128 -2.594 1.00 16.51 C ATOM 493 OG1 THR A 677 25.541 -3.298 -1.747 1.00 18.90 O ATOM 494 CG2 THR A 677 27.285 -4.490 -2.896 1.00 19.46 C ATOM 495 HG1 THR A 677 25.824 -3.705 -0.890 1.00 0.00 H ATOM 496 H THR A 677 26.127 -0.718 -1.995 1.00 0.00 H ATOM 497 N MET A 678 28.999 -1.173 -3.708 1.00 13.95 N ATOM 498 CA MET A 678 30.228 -0.958 -4.471 1.00 14.53 C ATOM 499 C MET A 678 31.357 -0.470 -3.579 1.00 15.70 C ATOM 500 O MET A 678 32.504 -0.910 -3.729 1.00 15.67 O ATOM 501 CB MET A 678 30.003 0.021 -5.622 1.00 14.38 C ATOM 502 CG MET A 678 29.231 -0.567 -6.793 1.00 14.48 C ATOM 503 SD MET A 678 29.274 0.468 -8.275 1.00 14.29 S ATOM 504 CE MET A 678 30.986 0.305 -8.746 1.00 14.73 C ATOM 505 H MET A 678 28.143 -0.628 -3.934 1.00 0.00 H ATOM 506 N LYS A 679 31.057 0.444 -2.653 1.00 15.17 N ATOM 507 CA LYS A 679 32.077 0.917 -1.721 1.00 15.72 C ATOM 508 C LYS A 679 32.604 -0.224 -0.861 1.00 17.24 C ATOM 509 O LYS A 679 33.819 -0.350 -0.655 1.00 18.23 O ATOM 510 CB LYS A 679 31.515 2.044 -0.850 1.00 17.94 C ATOM 511 CG LYS A 679 32.481 2.535 0.220 1.00 21.23 C ATOM 512 CD LYS A 679 33.710 3.201 -0.382 1.00 24.41 C ATOM 513 CE LYS A 679 34.591 3.791 0.719 1.00 40.55 C ATOM 514 NZ LYS A 679 35.785 4.496 0.175 1.00 44.64 N ATOM 515 HZ1 LYS A 679 36.361 3.826 -0.374 1.00 0.00 H ATOM 516 HZ2 LYS A 679 35.476 5.275 -0.441 1.00 0.00 H ATOM 517 HZ3 LYS A 679 36.349 4.877 0.961 1.00 0.00 H ATOM 518 H LYS A 679 30.090 0.822 -2.595 1.00 0.00 H ATOM 519 N GLN A 680 31.710 -1.084 -0.368 1.00 16.42 N ATOM 520 CA GLN A 680 32.157 -2.229 0.420 1.00 17.64 C ATOM 521 C GLN A 680 32.999 -3.182 -0.422 1.00 17.81 C ATOM 522 O GLN A 680 34.011 -3.715 0.052 1.00 17.24 O ATOM 523 CB GLN A 680 30.958 -2.961 1.027 1.00 18.46 C ATOM 524 CG GLN A 680 29.933 -2.067 1.714 1.00 22.99 C ATOM 525 CD GLN A 680 30.563 -0.962 2.539 1.00 23.14 C ATOM 526 OE1 GLN A 680 31.383 -1.221 3.420 1.00 27.60 O ATOM 527 NE2 GLN A 680 30.181 0.282 2.256 1.00 22.75 N ATOM 528 HE22 GLN A 680 29.485 0.454 1.503 1.00 0.00 H ATOM 529 HE21 GLN A 680 30.579 1.082 2.788 1.00 0.00 H ATOM 530 H GLN A 680 30.696 -0.939 -0.545 1.00 0.00 H ATOM 531 N ASN A 681 32.597 -3.412 -1.675 1.00 18.44 N ATOM 532 CA ASN A 681 33.384 -4.265 -2.558 1.00 18.17 C ATOM 533 C ASN A 681 34.758 -3.663 -2.820 1.00 17.12 C ATOM 534 O ASN A 681 35.772 -4.376 -2.788 1.00 19.21 O ATOM 535 CB ASN A 681 32.641 -4.480 -3.877 1.00 18.11 C ATOM 536 CG ASN A 681 31.432 -5.380 -3.732 1.00 18.55 C ATOM 537 OD1 ASN A 681 31.276 -6.074 -2.735 1.00 20.66 O ATOM 538 ND2 ASN A 681 30.583 -5.391 -4.745 1.00 20.95 N ATOM 539 HD22 ASN A 681 30.754 -4.785 -5.573 1.00 0.00 H ATOM 540 HD21 ASN A 681 29.744 -6.005 -4.714 1.00 0.00 H ATOM 541 H ASN A 681 31.717 -2.980 -2.023 1.00 0.00 H ATOM 542 N LEU A 682 34.813 -2.353 -3.060 1.00 17.00 N ATOM 543 CA LEU A 682 36.081 -1.670 -3.284 1.00 18.13 C ATOM 544 C LEU A 682 37.041 -1.920 -2.127 1.00 18.28 C ATOM 545 O LEU A 682 38.189 -2.336 -2.329 1.00 19.05 O ATOM 546 CB LEU A 682 35.820 -0.170 -3.469 1.00 18.13 C ATOM 547 CG LEU A 682 36.923 0.711 -4.049 1.00 16.68 C ATOM 548 CD1 LEU A 682 36.321 2.055 -4.425 1.00 19.37 C ATOM 549 CD2 LEU A 682 38.087 0.937 -3.098 1.00 21.42 C ATOM 550 H LEU A 682 33.930 -1.805 -3.088 1.00 0.00 H ATOM 551 N GLU A 683 36.578 -1.686 -0.901 1.00 19.81 N ATOM 552 CA GLU A 683 37.446 -1.849 0.259 1.00 21.53 C ATOM 553 C GLU A 683 37.756 -3.305 0.565 1.00 22.19 C ATOM 554 O GLU A 683 38.733 -3.574 1.277 1.00 27.14 O ATOM 555 CB GLU A 683 36.845 -1.171 1.487 1.00 26.84 C ATOM 556 CG GLU A 683 36.482 0.288 1.287 1.00 22.98 C ATOM 557 CD GLU A 683 37.671 1.170 0.913 1.00 24.62 C ATOM 558 OE1 GLU A 683 38.832 0.752 1.110 1.00 24.53 O ATOM 559 OE2 GLU A 683 37.441 2.292 0.422 1.00 24.65 O ATOM 560 H GLU A 683 35.591 -1.385 -0.770 1.00 0.00 H ATOM 561 N ALA A 684 36.960 -4.245 0.064 1.00 22.57 N ATOM 562 CA ALA A 684 37.251 -5.665 0.229 1.00 23.41 C ATOM 563 C ALA A 684 38.115 -6.219 -0.895 1.00 25.09 C ATOM 564 O ALA A 684 38.249 -7.445 -1.016 1.00 27.90 O ATOM 565 CB ALA A 684 35.956 -6.471 0.357 1.00 24.29 C ATOM 566 H ALA A 684 36.107 -3.960 -0.459 1.00 0.00 H ATOM 567 N TYR A 685 38.695 -5.344 -1.719 1.00 24.11 N ATOM 568 CA TYR A 685 39.622 -5.715 -2.786 1.00 21.41 C ATOM 569 C TYR A 685 38.958 -6.533 -3.884 1.00 24.46 C ATOM 570 O TYR A 685 39.612 -7.341 -4.549 1.00 27.84 O ATOM 571 CB TYR A 685 40.880 -6.411 -2.252 1.00 23.05 C ATOM 572 CG TYR A 685 41.640 -5.557 -1.278 1.00 27.23 C ATOM 573 CD1 TYR A 685 42.515 -4.576 -1.721 1.00 30.76 C ATOM 574 CD2 TYR A 685 41.474 -5.717 0.092 1.00 42.19 C ATOM 575 CE1 TYR A 685 43.214 -3.787 -0.829 1.00 38.03 C ATOM 576 CE2 TYR A 685 42.168 -4.931 0.993 1.00 45.86 C ATOM 577 CZ TYR A 685 43.036 -3.968 0.526 1.00 47.27 C ATOM 578 OH TYR A 685 43.728 -3.184 1.417 1.00 49.84 O ATOM 579 HH TYR A 685 44.302 -2.549 0.920 1.00 0.00 H ATOM 580 H TYR A 685 38.474 -4.336 -1.594 1.00 0.00 H ATOM 581 N ARG A 686 37.662 -6.337 -4.088 1.00 20.06 N ATOM 582 CA ARG A 686 36.953 -7.036 -5.142 1.00 21.79 C ATOM 583 C ARG A 686 37.055 -6.337 -6.495 1.00 19.73 C ATOM 584 O ARG A 686 36.631 -6.915 -7.500 1.00 23.13 O ATOM 585 CB ARG A 686 35.492 -7.275 -4.728 1.00 26.99 C ATOM 586 CG ARG A 686 35.350 -7.973 -3.375 1.00 34.88 C ATOM 587 CD ARG A 686 33.921 -8.441 -3.109 1.00 41.04 C ATOM 588 NE ARG A 686 33.816 -9.174 -1.849 1.00 46.21 N ATOM 589 CZ ARG A 686 33.277 -8.689 -0.733 1.00 47.14 C ATOM 590 NH1 ARG A 686 32.774 -7.459 -0.703 1.00 32.23 N ATOM 591 NH2 ARG A 686 33.234 -9.441 0.359 1.00 55.53 N ATOM 592 HE ARG A 686 34.189 -10.144 -1.823 1.00 0.00 H ATOM 593 HH12 ARG A 686 32.355 -7.090 0.174 1.00 0.00 H ATOM 594 HH11 ARG A 686 32.799 -6.866 -1.557 1.00 0.00 H ATOM 595 HH22 ARG A 686 32.814 -9.065 1.233 1.00 0.00 H ATOM 596 HH21 ARG A 686 33.621 -10.406 0.341 1.00 0.00 H ATOM 597 H ARG A 686 37.145 -5.670 -3.481 1.00 0.00 H ATOM 598 N TYR A 687 37.604 -5.112 -6.552 1.00 17.75 N ATOM 599 CA TYR A 687 37.872 -4.418 -7.815 1.00 16.76 C ATOM 600 C TYR A 687 39.379 -4.240 -7.963 1.00 16.95 C ATOM 601 O TYR A 687 39.952 -3.273 -7.446 1.00 18.13 O ATOM 602 CB TYR A 687 37.168 -3.063 -7.907 1.00 16.48 C ATOM 603 CG TYR A 687 35.683 -3.112 -7.670 1.00 15.59 C ATOM 604 CD1 TYR A 687 34.875 -4.025 -8.338 1.00 16.05 C ATOM 605 CD2 TYR A 687 35.090 -2.232 -6.775 1.00 15.50 C ATOM 606 CE1 TYR A 687 33.506 -4.059 -8.116 1.00 16.48 C ATOM 607 CE2 TYR A 687 33.729 -2.259 -6.539 1.00 15.17 C ATOM 608 CZ TYR A 687 32.947 -3.177 -7.205 1.00 14.13 C ATOM 609 OH TYR A 687 31.597 -3.212 -6.968 1.00 16.17 O ATOM 610 HH TYR A 687 31.184 -3.922 -7.521 1.00 0.00 H ATOM 611 H TYR A 687 37.850 -4.635 -5.661 1.00 0.00 H ATOM 612 N LEU A 688 40.012 -5.163 -8.685 1.00 16.07 N ATOM 613 CA LEU A 688 41.439 -5.086 -8.981 1.00 15.75 C ATOM 614 C LEU A 688 41.705 -4.730 -10.434 1.00 16.60 C ATOM 615 O LEU A 688 42.870 -4.634 -10.846 1.00 18.69 O ATOM 616 CB LEU A 688 42.155 -6.378 -8.562 1.00 17.50 C ATOM 617 CG LEU A 688 41.992 -6.710 -7.071 1.00 16.60 C ATOM 618 CD1 LEU A 688 42.624 -8.067 -6.747 1.00 20.47 C ATOM 619 CD2 LEU A 688 42.591 -5.628 -6.186 1.00 21.91 C ATOM 620 H LEU A 688 39.468 -5.970 -9.052 1.00 0.00 H ATOM 621 N ASN A 689 40.653 -4.520 -11.217 1.00 15.34 N ATOM 622 CA ASN A 689 40.763 -4.004 -12.568 1.00 15.90 C ATOM 623 C ASN A 689 39.586 -3.068 -12.800 1.00 13.50 C ATOM 624 O ASN A 689 38.572 -3.123 -12.096 1.00 14.08 O ATOM 625 CB ASN A 689 40.868 -5.119 -13.633 1.00 16.07 C ATOM 626 CG ASN A 689 39.768 -6.150 -13.519 1.00 14.48 C ATOM 627 OD1 ASN A 689 38.590 -5.827 -13.687 1.00 16.85 O ATOM 628 ND2 ASN A 689 40.134 -7.390 -13.285 1.00 18.33 N ATOM 629 HD22 ASN A 689 41.139 -7.619 -13.149 1.00 0.00 H ATOM 630 HD21 ASN A 689 39.418 -8.143 -13.236 1.00 0.00 H ATOM 631 H ASN A 689 39.706 -4.736 -10.844 1.00 0.00 H ATOM 632 N PHE A 690 39.747 -2.183 -13.783 1.00 14.60 N ATOM 633 CA PHE A 690 38.718 -1.189 -14.031 1.00 12.81 C ATOM 634 C PHE A 690 37.448 -1.834 -14.560 1.00 13.41 C ATOM 635 O PHE A 690 36.341 -1.415 -14.202 1.00 13.84 O ATOM 636 CB PHE A 690 39.229 -0.110 -14.989 1.00 15.81 C ATOM 637 CG PHE A 690 38.431 1.153 -14.918 1.00 14.95 C ATOM 638 CD1 PHE A 690 38.730 2.128 -13.987 1.00 15.83 C ATOM 639 CD2 PHE A 690 37.333 1.334 -15.737 1.00 15.68 C ATOM 640 CE1 PHE A 690 37.969 3.280 -13.897 1.00 17.88 C ATOM 641 CE2 PHE A 690 36.563 2.484 -15.650 1.00 16.17 C ATOM 642 CZ PHE A 690 36.884 3.453 -14.730 1.00 16.93 C ATOM 643 H PHE A 690 40.605 -2.204 -14.370 1.00 0.00 H ATOM 644 N ASP A 691 37.582 -2.864 -15.399 1.00 13.13 N ATOM 645 CA ASP A 691 36.406 -3.510 -15.979 1.00 12.21 C ATOM 646 C ASP A 691 35.455 -4.028 -14.904 1.00 13.66 C ATOM 647 O ASP A 691 34.237 -3.889 -15.035 1.00 14.28 O ATOM 648 CB ASP A 691 36.843 -4.670 -16.874 1.00 13.50 C ATOM 649 CG ASP A 691 37.437 -4.230 -18.201 1.00 17.36 C ATOM 650 OD1 ASP A 691 38.227 -5.017 -18.769 1.00 20.10 O ATOM 651 OD2 ASP A 691 37.082 -3.152 -18.711 1.00 18.13 O ATOM 652 H ASP A 691 38.532 -3.210 -15.642 1.00 0.00 H ATOM 653 N ASP A 692 35.979 -4.632 -13.834 1.00 13.13 N ATOM 654 CA ASP A 692 35.098 -5.183 -12.804 1.00 13.06 C ATOM 655 C ASP A 692 34.335 -4.072 -12.086 1.00 13.36 C ATOM 656 O ASP A 692 33.159 -4.238 -11.735 1.00 14.88 O ATOM 657 CB ASP A 692 35.901 -5.978 -11.785 1.00 14.45 C ATOM 658 CG ASP A 692 36.219 -7.382 -12.247 1.00 15.67 C ATOM 659 OD1 ASP A 692 35.758 -7.827 -13.329 1.00 14.56 O ATOM 660 OD2 ASP A 692 36.949 -8.070 -11.509 1.00 17.71 O ATOM 661 H ASP A 692 37.011 -4.710 -13.733 1.00 0.00 H ATOM 662 N PHE A 693 34.994 -2.933 -11.846 1.00 12.84 N ATOM 663 CA PHE A 693 34.343 -1.774 -11.250 1.00 13.05 C ATOM 664 C PHE A 693 33.248 -1.252 -12.169 1.00 12.93 C ATOM 665 O PHE A 693 32.104 -1.046 -11.741 1.00 13.65 O ATOM 666 CB PHE A 693 35.419 -0.712 -10.995 1.00 13.68 C ATOM 667 CG PHE A 693 34.905 0.589 -10.443 1.00 13.43 C ATOM 668 CD1 PHE A 693 34.723 0.753 -9.078 1.00 13.25 C ATOM 669 CD2 PHE A 693 34.650 1.665 -11.286 1.00 13.61 C ATOM 670 CE1 PHE A 693 34.271 1.962 -8.561 1.00 15.46 C ATOM 671 CE2 PHE A 693 34.198 2.873 -10.778 1.00 15.12 C ATOM 672 CZ PHE A 693 34.019 3.021 -9.420 1.00 16.42 C ATOM 673 H PHE A 693 36.003 -2.873 -12.093 1.00 0.00 H ATOM 674 N GLU A 694 33.572 -1.078 -13.451 1.00 12.68 N ATOM 675 CA GLU A 694 32.596 -0.560 -14.410 1.00 14.13 C ATOM 676 C GLU A 694 31.420 -1.519 -14.578 1.00 13.90 C ATOM 677 O GLU A 694 30.274 -1.080 -14.747 1.00 14.58 O ATOM 678 CB GLU A 694 33.280 -0.250 -15.752 1.00 13.76 C ATOM 679 CG GLU A 694 32.325 0.325 -16.822 1.00 16.59 C ATOM 680 CD GLU A 694 32.984 1.232 -17.866 1.00 19.78 C ATOM 681 OE1 GLU A 694 34.218 1.239 -18.004 1.00 19.15 O ATOM 682 OE2 GLU A 694 32.236 1.966 -18.566 1.00 24.11 O ATOM 683 H GLU A 694 34.532 -1.314 -13.774 1.00 0.00 H ATOM 684 N GLU A 695 31.676 -2.824 -14.515 1.00 14.35 N ATOM 685 CA GLU A 695 30.610 -3.808 -14.657 1.00 15.37 C ATOM 686 C GLU A 695 29.595 -3.697 -13.525 1.00 15.43 C ATOM 687 O GLU A 695 28.383 -3.800 -13.759 1.00 14.92 O ATOM 688 CB GLU A 695 31.225 -5.203 -14.716 1.00 16.35 C ATOM 689 CG GLU A 695 30.274 -6.398 -14.623 1.00 26.29 C ATOM 690 CD GLU A 695 31.025 -7.718 -14.650 1.00 41.35 C ATOM 691 OE1 GLU A 695 31.463 -8.181 -13.580 1.00 27.79 O ATOM 692 OE2 GLU A 695 31.190 -8.286 -15.748 1.00 46.07 O ATOM 693 H GLU A 695 32.653 -3.147 -14.362 1.00 0.00 H ATOM 694 N ASP A 696 30.058 -3.462 -12.290 1.00 14.16 N ATOM 695 CA ASP A 696 29.104 -3.295 -11.192 1.00 14.66 C ATOM 696 C ASP A 696 28.316 -1.995 -11.321 1.00 13.02 C ATOM 697 O ASP A 696 27.110 -1.970 -11.047 1.00 13.91 O ATOM 698 CB ASP A 696 29.786 -3.431 -9.827 1.00 15.06 C ATOM 699 CG ASP A 696 29.806 -4.865 -9.332 1.00 16.65 C ATOM 700 OD1 ASP A 696 29.245 -5.765 -9.992 1.00 19.39 O ATOM 701 OD2 ASP A 696 30.407 -5.106 -8.272 1.00 16.97 O ATOM 702 H ASP A 696 31.081 -3.399 -12.114 1.00 0.00 H ATOM 703 N PHE A 697 28.963 -0.911 -11.747 1.00 12.13 N ATOM 704 CA PHE A 697 28.205 0.301 -12.035 1.00 12.81 C ATOM 705 C PHE A 697 27.131 0.030 -13.081 1.00 12.83 C ATOM 706 O PHE A 697 25.979 0.461 -12.924 1.00 13.17 O ATOM 707 CB PHE A 697 29.123 1.426 -12.508 1.00 13.61 C ATOM 708 CG PHE A 697 28.370 2.594 -13.067 1.00 13.71 C ATOM 709 CD1 PHE A 697 27.757 3.513 -12.213 1.00 15.59 C ATOM 710 CD2 PHE A 697 28.223 2.756 -14.438 1.00 14.91 C ATOM 711 CE1 PHE A 697 27.033 4.577 -12.723 1.00 16.50 C ATOM 712 CE2 PHE A 697 27.499 3.824 -14.944 1.00 15.92 C ATOM 713 CZ PHE A 697 26.913 4.729 -14.081 1.00 17.60 C ATOM 714 H PHE A 697 29.995 -0.929 -11.872 1.00 0.00 H ATOM 715 N ASN A 698 27.484 -0.693 -14.149 1.00 13.47 N ATOM 716 CA ASN A 698 26.510 -0.993 -15.194 1.00 13.58 C ATOM 717 C ASN A 698 25.346 -1.805 -14.657 1.00 13.60 C ATOM 718 O ASN A 698 24.228 -1.679 -15.168 1.00 14.30 O ATOM 719 CB ASN A 698 27.159 -1.789 -16.329 1.00 16.89 C ATOM 720 CG ASN A 698 28.102 -0.973 -17.172 1.00 18.14 C ATOM 721 OD1 ASN A 698 28.064 0.240 -17.174 1.00 18.08 O ATOM 722 ND2 ASN A 698 28.969 -1.660 -17.905 1.00 19.55 N ATOM 723 HD22 ASN A 698 28.968 -2.700 -17.874 1.00 0.00 H ATOM 724 HD21 ASN A 698 29.650 -1.159 -18.511 1.00 0.00 H ATOM 725 H ASN A 698 28.459 -1.044 -14.236 1.00 0.00 H ATOM 726 N LEU A 699 25.576 -2.643 -13.649 1.00 13.10 N ATOM 727 CA LEU A 699 24.481 -3.390 -13.039 1.00 14.94 C ATOM 728 C LEU A 699 23.491 -2.471 -12.330 1.00 15.37 C ATOM 729 O LEU A 699 22.281 -2.718 -12.355 1.00 15.76 O ATOM 730 CB LEU A 699 25.043 -4.382 -12.036 1.00 18.12 C ATOM 731 CG LEU A 699 25.463 -5.741 -12.555 1.00 19.80 C ATOM 732 CD1 LEU A 699 25.962 -6.559 -11.381 1.00 20.77 C ATOM 733 CD2 LEU A 699 24.280 -6.431 -13.220 1.00 21.74 C ATOM 734 H LEU A 699 26.545 -2.767 -13.293 1.00 0.00 H ATOM 735 N ILE A 700 23.978 -1.436 -11.649 1.00 13.11 N ATOM 736 CA ILE A 700 23.062 -0.482 -11.025 1.00 14.04 C ATOM 737 C ILE A 700 22.078 0.030 -12.063 1.00 14.22 C ATOM 738 O ILE A 700 20.858 0.069 -11.843 1.00 14.99 O ATOM 739 CB ILE A 700 23.852 0.672 -10.387 1.00 13.63 C ATOM 740 CG1 ILE A 700 24.751 0.141 -9.267 1.00 14.13 C ATOM 741 CG2 ILE A 700 22.905 1.752 -9.865 1.00 14.40 C ATOM 742 CD1 ILE A 700 25.616 1.210 -8.622 1.00 15.58 C ATOM 743 H ILE A 700 25.006 -1.306 -11.561 1.00 0.00 H ATOM 744 N VAL A 701 22.609 0.416 -13.225 1.00 13.33 N ATOM 745 CA VAL A 701 21.794 0.945 -14.310 1.00 12.90 C ATOM 746 C VAL A 701 20.884 -0.135 -14.880 1.00 12.47 C ATOM 747 O VAL A 701 19.664 0.051 -14.986 1.00 13.45 O ATOM 748 CB VAL A 701 22.706 1.532 -15.402 1.00 13.71 C ATOM 749 CG1 VAL A 701 21.896 1.825 -16.661 1.00 14.75 C ATOM 750 CG2 VAL A 701 23.437 2.765 -14.894 1.00 15.97 C ATOM 751 H VAL A 701 23.637 0.337 -13.360 1.00 0.00 H ATOM 752 N SER A 702 21.463 -1.268 -15.289 1.00 12.47 N ATOM 753 CA SER A 702 20.679 -2.250 -16.030 1.00 13.19 C ATOM 754 C SER A 702 19.611 -2.903 -15.163 1.00 13.66 C ATOM 755 O SER A 702 18.525 -3.222 -15.665 1.00 14.00 O ATOM 756 CB SER A 702 21.584 -3.297 -16.678 1.00 13.43 C ATOM 757 OG SER A 702 22.257 -4.059 -15.698 1.00 13.09 O ATOM 758 HG SER A 702 21.593 -4.521 -15.128 1.00 0.00 H ATOM 759 H SER A 702 22.466 -1.448 -15.080 1.00 0.00 H ATOM 760 N ASN A 703 19.886 -3.105 -13.869 1.00 12.28 N ATOM 761 CA ASN A 703 18.864 -3.660 -12.984 1.00 14.40 C ATOM 762 C ASN A 703 17.659 -2.736 -12.929 1.00 13.46 C ATOM 763 O ASN A 703 16.507 -3.189 -12.919 1.00 14.04 O ATOM 764 CB ASN A 703 19.407 -3.828 -11.558 1.00 14.85 C ATOM 765 CG ASN A 703 20.392 -4.965 -11.414 1.00 15.80 C ATOM 766 OD1 ASN A 703 20.515 -5.818 -12.290 1.00 16.73 O ATOM 767 ND2 ASN A 703 21.091 -4.987 -10.285 1.00 17.01 N ATOM 768 HD22 ASN A 703 20.952 -4.242 -9.573 1.00 0.00 H ATOM 769 HD21 ASN A 703 21.778 -5.749 -10.113 1.00 0.00 H ATOM 770 H ASN A 703 20.826 -2.867 -13.493 1.00 0.00 H ATOM 771 N CYS A 704 17.915 -1.434 -12.868 1.00 12.77 N ATOM 772 CA CYS A 704 16.839 -0.465 -12.744 1.00 13.09 C ATOM 773 C CYS A 704 16.021 -0.372 -14.028 1.00 13.26 C ATOM 774 O CYS A 704 14.785 -0.322 -13.975 1.00 14.14 O ATOM 775 CB CYS A 704 17.420 0.884 -12.327 1.00 12.88 C ATOM 776 SG CYS A 704 16.227 2.183 -12.018 1.00 14.43 S ATOM 777 H CYS A 704 18.900 -1.103 -12.910 1.00 0.00 H ATOM 778 N LEU A 705 16.690 -0.378 -15.189 1.00 13.38 N ATOM 779 CA LEU A 705 15.977 -0.430 -16.463 1.00 13.80 C ATOM 780 C LEU A 705 15.134 -1.693 -16.567 1.00 13.70 C ATOM 781 O LEU A 705 14.001 -1.656 -17.058 1.00 14.64 O ATOM 782 CB LEU A 705 16.968 -0.380 -17.636 1.00 12.83 C ATOM 783 CG LEU A 705 17.879 0.845 -17.737 1.00 11.98 C ATOM 784 CD1 LEU A 705 18.876 0.638 -18.878 1.00 14.64 C ATOM 785 CD2 LEU A 705 17.072 2.106 -17.954 1.00 15.21 C ATOM 786 H LEU A 705 17.729 -0.345 -15.183 1.00 0.00 H ATOM 787 N LYS A 706 15.666 -2.820 -16.104 1.00 14.32 N ATOM 788 CA LYS A 706 14.928 -4.075 -16.213 1.00 15.71 C ATOM 789 C LYS A 706 13.698 -4.079 -15.313 1.00 16.52 C ATOM 790 O LYS A 706 12.609 -4.484 -15.740 1.00 18.19 O ATOM 791 CB LYS A 706 15.850 -5.229 -15.840 1.00 16.15 C ATOM 792 CG LYS A 706 15.162 -6.580 -15.849 1.00 20.25 C ATOM 793 CD LYS A 706 16.170 -7.717 -15.844 1.00 22.53 C ATOM 794 CE LYS A 706 15.506 -9.049 -16.160 1.00 38.04 C ATOM 795 NZ LYS A 706 15.615 -10.002 -15.023 1.00 44.49 N ATOM 796 HZ1 LYS A 706 16.619 -10.177 -14.814 1.00 0.00 H ATOM 797 HZ2 LYS A 706 15.151 -9.595 -14.186 1.00 0.00 H ATOM 798 HZ3 LYS A 706 15.151 -10.897 -15.277 1.00 0.00 H ATOM 799 H LYS A 706 16.608 -2.808 -15.664 1.00 0.00 H ATOM 800 N TYR A 707 13.843 -3.627 -14.069 1.00 15.69 N ATOM 801 CA TYR A 707 12.748 -3.756 -13.117 1.00 15.69 C ATOM 802 C TYR A 707 11.627 -2.749 -13.356 1.00 16.67 C ATOM 803 O TYR A 707 10.462 -3.058 -13.095 1.00 17.90 O ATOM 804 CB TYR A 707 13.270 -3.625 -11.682 1.00 17.02 C ATOM 805 CG TYR A 707 12.179 -3.887 -10.686 1.00 17.48 C ATOM 806 CD1 TYR A 707 11.726 -5.180 -10.449 1.00 20.65 C ATOM 807 CD2 TYR A 707 11.562 -2.844 -10.019 1.00 20.42 C ATOM 808 CE1 TYR A 707 10.698 -5.422 -9.561 1.00 20.89 C ATOM 809 CE2 TYR A 707 10.532 -3.076 -9.131 1.00 21.10 C ATOM 810 CZ TYR A 707 10.108 -4.368 -8.905 1.00 20.04 C ATOM 811 OH TYR A 707 9.079 -4.608 -8.023 1.00 26.42 O ATOM 812 HH TYR A 707 8.903 -5.581 -7.980 1.00 0.00 H ATOM 813 H TYR A 707 14.737 -3.182 -13.777 1.00 0.00 H ATOM 814 N ASN A 708 11.947 -1.549 -13.826 1.00 14.63 N ATOM 815 CA ASN A 708 10.999 -0.448 -13.809 1.00 15.22 C ATOM 816 C ASN A 708 10.430 -0.172 -15.190 1.00 14.71 C ATOM 817 O ASN A 708 11.107 -0.346 -16.206 1.00 15.59 O ATOM 818 CB ASN A 708 11.669 0.805 -13.261 1.00 14.91 C ATOM 819 CG ASN A 708 11.925 0.703 -11.787 1.00 16.26 C ATOM 820 OD1 ASN A 708 10.990 0.800 -10.988 1.00 19.64 O ATOM 821 ND2 ASN A 708 13.163 0.483 -11.411 1.00 16.46 N ATOM 822 HD22 ASN A 708 13.917 0.409 -12.123 1.00 0.00 H ATOM 823 HD21 ASN A 708 13.390 0.383 -10.401 1.00 0.00 H ATOM 824 H ASN A 708 12.899 -1.394 -14.215 1.00 0.00 H ATOM 825 N ALA A 709 9.173 0.258 -15.216 1.00 14.99 N ATOM 826 CA ALA A 709 8.522 0.611 -16.469 1.00 15.68 C ATOM 827 C ALA A 709 9.161 1.853 -17.075 1.00 15.29 C ATOM 828 O ALA A 709 9.683 2.721 -16.370 1.00 15.18 O ATOM 829 CB ALA A 709 7.026 0.831 -16.254 1.00 16.60 C ATOM 830 H ALA A 709 8.644 0.344 -14.324 1.00 0.00 H ATOM 831 N LYS A 710 9.104 1.941 -18.404 1.00 16.72 N ATOM 832 CA LYS A 710 9.768 3.037 -19.098 1.00 18.23 C ATOM 833 C LYS A 710 9.199 4.393 -18.732 1.00 21.10 C ATOM 834 O LYS A 710 9.902 5.398 -18.878 1.00 23.14 O ATOM 835 CB LYS A 710 9.666 2.849 -20.612 1.00 19.31 C ATOM 836 CG LYS A 710 10.489 1.704 -21.114 1.00 20.36 C ATOM 837 CD LYS A 710 10.502 1.628 -22.637 1.00 20.48 C ATOM 838 CE LYS A 710 11.546 2.560 -23.213 1.00 18.69 C ATOM 839 NZ LYS A 710 11.416 2.712 -24.689 1.00 16.89 N ATOM 840 HZ1 LYS A 710 11.527 1.783 -25.143 1.00 0.00 H ATOM 841 HZ2 LYS A 710 10.478 3.100 -24.915 1.00 0.00 H ATOM 842 HZ3 LYS A 710 12.153 3.359 -25.036 1.00 0.00 H ATOM 843 H LYS A 710 8.583 1.224 -18.948 1.00 0.00 H ATOM 844 N ASP A 711 7.951 4.453 -18.276 1.00 17.34 N ATOM 845 CA ASP A 711 7.326 5.736 -17.988 1.00 20.14 C ATOM 846 C ASP A 711 7.560 6.223 -16.562 1.00 20.17 C ATOM 847 O ASP A 711 6.860 7.133 -16.121 1.00 20.88 O ATOM 848 CB ASP A 711 5.827 5.704 -18.307 1.00 26.41 C ATOM 849 CG ASP A 711 5.056 4.723 -17.439 1.00 24.38 C ATOM 850 OD1 ASP A 711 5.657 4.054 -16.572 1.00 27.36 O ATOM 851 OD2 ASP A 711 3.818 4.636 -17.605 1.00 35.37 O ATOM 852 H ASP A 711 7.416 3.574 -18.124 1.00 0.00 H ATOM 853 N THR A 712 8.509 5.645 -15.831 1.00 19.61 N ATOM 854 CA THR A 712 8.766 6.034 -14.447 1.00 16.81 C ATOM 855 C THR A 712 9.980 6.947 -14.341 1.00 18.31 C ATOM 856 O THR A 712 10.893 6.922 -15.173 1.00 17.41 O ATOM 857 CB THR A 712 9.014 4.807 -13.568 1.00 16.47 C ATOM 858 OG1 THR A 712 10.201 4.133 -14.018 1.00 15.92 O ATOM 859 CG2 THR A 712 7.826 3.860 -13.622 1.00 19.10 C ATOM 860 HG1 THR A 712 10.081 3.849 -14.959 1.00 0.00 H ATOM 861 H THR A 712 9.086 4.893 -16.258 1.00 0.00 H ATOM 862 N ILE A 713 10.004 7.730 -13.264 1.00 16.36 N ATOM 863 CA ILE A 713 11.203 8.492 -12.947 1.00 15.40 C ATOM 864 C ILE A 713 12.405 7.572 -12.749 1.00 15.04 C ATOM 865 O ILE A 713 13.512 7.895 -13.186 1.00 14.77 O ATOM 866 CB ILE A 713 10.981 9.453 -11.762 1.00 15.43 C ATOM 867 CG1 ILE A 713 10.169 10.689 -12.203 1.00 20.12 C ATOM 868 CG2 ILE A 713 12.307 9.884 -11.159 1.00 18.60 C ATOM 869 CD1 ILE A 713 9.717 11.561 -11.075 1.00 31.48 C ATOM 870 H ILE A 713 9.167 7.797 -12.650 1.00 0.00 H ATOM 871 N PHE A 714 12.225 6.423 -12.079 1.00 14.15 N ATOM 872 CA PHE A 714 13.350 5.511 -11.850 1.00 13.87 C ATOM 873 C PHE A 714 14.006 5.104 -13.163 1.00 13.66 C ATOM 874 O PHE A 714 15.235 5.112 -13.284 1.00 13.84 O ATOM 875 CB PHE A 714 12.898 4.255 -11.094 1.00 16.41 C ATOM 876 CG PHE A 714 12.671 4.465 -9.619 1.00 17.21 C ATOM 877 CD1 PHE A 714 11.906 3.554 -8.898 1.00 21.53 C ATOM 878 CD2 PHE A 714 13.196 5.559 -8.950 1.00 18.59 C ATOM 879 CE1 PHE A 714 11.680 3.719 -7.542 1.00 23.32 C ATOM 880 CE2 PHE A 714 12.969 5.732 -7.584 1.00 20.31 C ATOM 881 CZ PHE A 714 12.212 4.814 -6.887 1.00 24.22 C ATOM 882 H PHE A 714 11.280 6.178 -11.720 1.00 0.00 H ATOM 883 N TYR A 715 13.199 4.705 -14.152 1.00 13.48 N ATOM 884 CA TYR A 715 13.772 4.265 -15.423 1.00 13.37 C ATOM 885 C TYR A 715 14.550 5.403 -16.073 1.00 13.54 C ATOM 886 O TYR A 715 15.687 5.221 -16.526 1.00 13.28 O ATOM 887 CB TYR A 715 12.660 3.746 -16.340 1.00 13.72 C ATOM 888 CG TYR A 715 13.152 3.120 -17.622 1.00 12.83 C ATOM 889 CD1 TYR A 715 13.509 3.907 -18.712 1.00 13.62 C ATOM 890 CD2 TYR A 715 13.243 1.741 -17.754 1.00 12.59 C ATOM 891 CE1 TYR A 715 13.969 3.329 -19.897 1.00 12.50 C ATOM 892 CE2 TYR A 715 13.691 1.156 -18.940 1.00 12.15 C ATOM 893 CZ TYR A 715 14.057 1.960 -19.994 1.00 11.91 C ATOM 894 OH TYR A 715 14.511 1.381 -21.168 1.00 12.62 O ATOM 895 HH TYR A 715 14.731 2.091 -21.821 1.00 0.00 H ATOM 896 H TYR A 715 12.168 4.708 -14.017 1.00 0.00 H ATOM 897 N ARG A 716 13.968 6.600 -16.090 1.00 13.69 N ATOM 898 CA ARG A 716 14.649 7.727 -16.712 1.00 14.18 C ATOM 899 C ARG A 716 15.902 8.112 -15.946 1.00 13.86 C ATOM 900 O ARG A 716 16.891 8.538 -16.553 1.00 13.53 O ATOM 901 CB ARG A 716 13.700 8.916 -16.824 1.00 15.73 C ATOM 902 CG ARG A 716 14.200 9.994 -17.777 1.00 24.72 C ATOM 903 CD ARG A 716 14.361 9.395 -19.171 1.00 28.38 C ATOM 904 NE ARG A 716 15.006 10.286 -20.132 1.00 45.38 N ATOM 905 CZ ARG A 716 16.295 10.612 -20.113 1.00 51.09 C ATOM 906 NH1 ARG A 716 17.095 10.129 -19.171 1.00 36.57 N ATOM 907 NH2 ARG A 716 16.786 11.424 -21.040 1.00 50.04 N ATOM 908 HE ARG A 716 14.415 10.694 -20.884 1.00 0.00 H ATOM 909 HH12 ARG A 716 18.102 10.388 -19.161 1.00 0.00 H ATOM 910 HH11 ARG A 716 16.715 9.492 -18.442 1.00 0.00 H ATOM 911 HH22 ARG A 716 17.794 11.680 -21.026 1.00 0.00 H ATOM 912 HH21 ARG A 716 16.163 11.805 -21.781 1.00 0.00 H ATOM 913 H ARG A 716 13.030 6.730 -15.660 1.00 0.00 H ATOM 914 N ALA A 717 15.884 7.966 -14.623 1.00 12.95 N ATOM 915 CA ALA A 717 17.069 8.258 -13.831 1.00 13.92 C ATOM 916 C ALA A 717 18.197 7.288 -14.153 1.00 12.84 C ATOM 917 O ALA A 717 19.372 7.678 -14.168 1.00 13.31 O ATOM 918 CB ALA A 717 16.716 8.234 -12.341 1.00 15.23 C ATOM 919 H ALA A 717 15.016 7.641 -14.152 1.00 0.00 H ATOM 920 N ALA A 718 17.865 6.028 -14.418 1.00 11.81 N ATOM 921 CA ALA A 718 18.891 5.065 -14.809 1.00 12.66 C ATOM 922 C ALA A 718 19.480 5.399 -16.177 1.00 11.05 C ATOM 923 O ALA A 718 20.700 5.302 -16.369 1.00 12.47 O ATOM 924 CB ALA A 718 18.321 3.649 -14.791 1.00 13.99 C ATOM 925 H ALA A 718 16.872 5.727 -14.347 1.00 0.00 H ATOM 926 N VAL A 719 18.642 5.825 -17.126 1.00 11.71 N ATOM 927 CA VAL A 719 19.146 6.273 -18.425 1.00 12.42 C ATOM 928 C VAL A 719 20.103 7.442 -18.245 1.00 13.25 C ATOM 929 O VAL A 719 21.199 7.469 -18.823 1.00 14.04 O ATOM 930 CB VAL A 719 17.982 6.639 -19.364 1.00 12.80 C ATOM 931 CG1 VAL A 719 18.513 7.304 -20.639 1.00 16.03 C ATOM 932 CG2 VAL A 719 17.155 5.409 -19.707 1.00 15.00 C ATOM 933 H VAL A 719 17.619 5.838 -16.940 1.00 0.00 H ATOM 934 N ARG A 720 19.710 8.425 -17.435 1.00 12.63 N ATOM 935 CA ARG A 720 20.570 9.590 -17.258 1.00 13.52 C ATOM 936 C ARG A 720 21.853 9.232 -16.520 1.00 13.69 C ATOM 937 O ARG A 720 22.914 9.796 -16.811 1.00 13.85 O ATOM 938 CB ARG A 720 19.824 10.717 -16.550 1.00 14.54 C ATOM 939 CG ARG A 720 20.492 12.062 -16.738 1.00 13.81 C ATOM 940 CD ARG A 720 19.895 13.091 -15.803 1.00 20.31 C ATOM 941 NE ARG A 720 20.264 12.846 -14.414 1.00 21.54 N ATOM 942 CZ ARG A 720 19.639 13.384 -13.372 1.00 23.93 C ATOM 943 NH1 ARG A 720 18.610 14.191 -13.567 1.00 21.21 N ATOM 944 NH2 ARG A 720 20.039 13.113 -12.138 1.00 25.31 N ATOM 945 HE ARG A 720 21.066 12.211 -14.227 1.00 0.00 H ATOM 946 HH12 ARG A 720 18.119 14.613 -12.753 1.00 0.00 H ATOM 947 HH11 ARG A 720 18.292 14.403 -14.534 1.00 0.00 H ATOM 948 HH22 ARG A 720 19.546 13.537 -11.327 1.00 0.00 H ATOM 949 HH21 ARG A 720 20.846 12.476 -11.981 1.00 0.00 H ATOM 950 H ARG A 720 18.800 8.362 -16.935 1.00 0.00 H ATOM 951 N LEU A 721 21.781 8.306 -15.558 1.00 12.33 N ATOM 952 CA LEU A 721 22.996 7.864 -14.880 1.00 13.14 C ATOM 953 C LEU A 721 23.928 7.143 -15.846 1.00 13.20 C ATOM 954 O LEU A 721 25.150 7.330 -15.791 1.00 14.27 O ATOM 955 CB LEU A 721 22.641 6.971 -13.693 1.00 14.16 C ATOM 956 CG LEU A 721 23.831 6.490 -12.861 1.00 13.24 C ATOM 957 CD1 LEU A 721 24.579 7.670 -12.257 1.00 19.19 C ATOM 958 CD2 LEU A 721 23.382 5.507 -11.799 1.00 16.71 C ATOM 959 H LEU A 721 20.860 7.901 -15.293 1.00 0.00 H ATOM 960 N ARG A 722 23.379 6.315 -16.732 1.00 12.13 N ATOM 961 CA ARG A 722 24.200 5.667 -17.752 1.00 13.59 C ATOM 962 C ARG A 722 24.929 6.705 -18.589 1.00 14.23 C ATOM 963 O ARG A 722 26.129 6.569 -18.862 1.00 16.97 O ATOM 964 CB ARG A 722 23.314 4.798 -18.641 1.00 13.94 C ATOM 965 CG ARG A 722 24.069 3.958 -19.680 1.00 16.15 C ATOM 966 CD ARG A 722 23.101 3.146 -20.560 1.00 16.14 C ATOM 967 NE ARG A 722 22.291 4.013 -21.413 1.00 17.18 N ATOM 968 CZ ARG A 722 21.062 3.732 -21.844 1.00 17.45 C ATOM 969 NH1 ARG A 722 20.492 2.576 -21.540 1.00 17.52 N ATOM 970 NH2 ARG A 722 20.402 4.600 -22.594 1.00 18.53 N ATOM 971 HE ARG A 722 22.706 4.920 -21.707 1.00 0.00 H ATOM 972 HH12 ARG A 722 19.532 2.364 -21.880 1.00 0.00 H ATOM 973 HH11 ARG A 722 21.004 1.880 -20.961 1.00 0.00 H ATOM 974 HH22 ARG A 722 19.443 4.375 -22.928 1.00 0.00 H ATOM 975 HH21 ARG A 722 20.842 5.507 -22.850 1.00 0.00 H ATOM 976 H ARG A 722 22.357 6.128 -16.698 1.00 0.00 H ATOM 977 N GLU A 723 24.219 7.749 -19.007 1.00 14.16 N ATOM 978 CA GLU A 723 24.824 8.781 -19.843 1.00 17.50 C ATOM 979 C GLU A 723 25.888 9.553 -19.076 1.00 21.07 C ATOM 980 O GLU A 723 27.047 9.638 -19.505 1.00 22.45 O ATOM 981 CB GLU A 723 23.734 9.713 -20.366 1.00 19.83 C ATOM 982 CG GLU A 723 22.758 9.022 -21.317 1.00 21.41 C ATOM 983 CD GLU A 723 21.583 9.895 -21.702 1.00 27.00 C ATOM 984 OE1 GLU A 723 21.407 10.964 -21.082 1.00 33.00 O ATOM 985 OE2 GLU A 723 20.830 9.510 -22.620 1.00 26.39 O ATOM 986 H GLU A 723 23.219 7.831 -18.734 1.00 0.00 H ATOM 987 N GLN A 724 25.526 10.092 -17.917 1.00 15.26 N ATOM 988 CA GLN A 724 26.477 10.918 -17.183 1.00 15.71 C ATOM 989 C GLN A 724 27.632 10.096 -16.640 1.00 17.54 C ATOM 990 O GLN A 724 28.767 10.582 -16.564 1.00 18.95 O ATOM 991 CB GLN A 724 25.764 11.632 -16.040 1.00 15.06 C ATOM 992 CG GLN A 724 24.730 12.659 -16.469 1.00 18.04 C ATOM 993 CD GLN A 724 24.340 13.536 -15.314 1.00 23.81 C ATOM 994 OE1 GLN A 724 23.571 13.132 -14.456 1.00 26.18 O ATOM 995 NE2 GLN A 724 24.892 14.740 -15.271 1.00 28.95 N ATOM 996 HE22 GLN A 724 25.542 15.041 -16.025 1.00 0.00 H ATOM 997 HE21 GLN A 724 24.675 15.384 -14.483 1.00 0.00 H ATOM 998 H GLN A 724 24.572 9.926 -17.537 1.00 0.00 H ATOM 999 N GLY A 725 27.376 8.856 -16.258 1.00 16.78 N ATOM 1000 CA GLY A 725 28.467 8.007 -15.826 1.00 18.76 C ATOM 1001 C GLY A 725 29.477 7.736 -16.925 1.00 26.56 C ATOM 1002 O GLY A 725 30.653 7.492 -16.639 1.00 20.71 O ATOM 1003 H GLY A 725 26.401 8.494 -16.268 1.00 0.00 H ATOM 1004 N GLY A 726 29.050 7.819 -18.190 1.00 25.67 N ATOM 1005 CA GLY A 726 29.917 7.409 -19.289 1.00 28.73 C ATOM 1006 C GLY A 726 31.194 8.222 -19.367 1.00 26.14 C ATOM 1007 O GLY A 726 32.296 7.668 -19.440 1.00 20.65 O ATOM 1008 H GLY A 726 28.095 8.178 -18.391 1.00 0.00 H ATOM 1009 N ALA A 727 31.066 9.552 -19.357 1.00 21.53 N ATOM 1010 CA ALA A 727 32.247 10.398 -19.393 1.00 21.19 C ATOM 1011 C ALA A 727 33.066 10.239 -18.123 1.00 16.34 C ATOM 1012 O ALA A 727 34.299 10.288 -18.180 1.00 20.05 O ATOM 1013 CB ALA A 727 31.856 11.863 -19.596 1.00 28.88 C ATOM 1014 H ALA A 727 30.120 9.982 -19.323 1.00 0.00 H ATOM 1015 N VAL A 728 32.400 10.063 -16.971 1.00 16.38 N ATOM 1016 CA VAL A 728 33.139 9.880 -15.721 1.00 15.65 C ATOM 1017 C VAL A 728 34.024 8.644 -15.818 1.00 13.85 C ATOM 1018 O VAL A 728 35.219 8.679 -15.497 1.00 14.21 O ATOM 1019 CB VAL A 728 32.189 9.793 -14.513 1.00 14.19 C ATOM 1020 CG1 VAL A 728 32.973 9.396 -13.267 1.00 17.38 C ATOM 1021 CG2 VAL A 728 31.454 11.118 -14.294 1.00 18.11 C ATOM 1022 H VAL A 728 31.360 10.057 -16.967 1.00 0.00 H ATOM 1023 N LEU A 729 33.449 7.536 -16.291 1.00 13.79 N ATOM 1024 CA LEU A 729 34.189 6.287 -16.402 1.00 13.57 C ATOM 1025 C LEU A 729 35.270 6.367 -17.467 1.00 14.18 C ATOM 1026 O LEU A 729 36.374 5.840 -17.261 1.00 14.52 O ATOM 1027 CB LEU A 729 33.224 5.145 -16.703 1.00 15.75 C ATOM 1028 CG LEU A 729 32.315 4.798 -15.532 1.00 20.08 C ATOM 1029 CD1 LEU A 729 31.080 4.059 -16.024 1.00 27.37 C ATOM 1030 CD2 LEU A 729 33.075 3.993 -14.495 1.00 20.27 C ATOM 1031 H LEU A 729 32.452 7.566 -16.586 1.00 0.00 H ATOM 1032 N ARG A 730 34.983 7.005 -18.609 1.00 14.55 N ATOM 1033 CA ARG A 730 35.996 7.082 -19.656 1.00 14.88 C ATOM 1034 C ARG A 730 37.224 7.837 -19.169 1.00 15.51 C ATOM 1035 O ARG A 730 38.364 7.412 -19.402 1.00 16.24 O ATOM 1036 CB ARG A 730 35.433 7.738 -20.916 1.00 16.95 C ATOM 1037 CG ARG A 730 36.436 7.730 -22.061 1.00 16.38 C ATOM 1038 CD ARG A 730 35.859 8.172 -23.408 1.00 17.00 C ATOM 1039 NE ARG A 730 36.864 8.068 -24.461 1.00 17.29 N ATOM 1040 CZ ARG A 730 36.599 7.985 -25.760 1.00 15.11 C ATOM 1041 NH1 ARG A 730 35.340 7.988 -26.183 1.00 18.26 N ATOM 1042 NH2 ARG A 730 37.597 7.874 -26.622 1.00 16.84 N ATOM 1043 HE ARG A 730 37.863 8.058 -24.173 1.00 0.00 H ATOM 1044 HH12 ARG A 730 35.133 7.923 -27.200 1.00 0.00 H ATOM 1045 HH11 ARG A 730 34.561 8.055 -25.497 1.00 0.00 H ATOM 1046 HH22 ARG A 730 37.399 7.808 -27.641 1.00 0.00 H ATOM 1047 HH21 ARG A 730 38.579 7.852 -26.281 1.00 0.00 H ATOM 1048 H ARG A 730 34.049 7.440 -18.748 1.00 0.00 H ATOM 1049 N GLN A 731 37.011 8.957 -18.478 1.00 15.64 N ATOM 1050 CA GLN A 731 38.138 9.732 -17.976 1.00 17.10 C ATOM 1051 C GLN A 731 38.901 8.969 -16.899 1.00 15.44 C ATOM 1052 O GLN A 731 40.136 8.979 -16.878 1.00 16.27 O ATOM 1053 CB GLN A 731 37.652 11.086 -17.454 1.00 19.46 C ATOM 1054 H GLN A 731 36.039 9.278 -18.297 1.00 0.00 H ATOM 1055 N ALA A 732 38.181 8.302 -15.997 1.00 14.75 N ATOM 1056 CA ALA A 732 38.839 7.534 -14.944 1.00 13.39 C ATOM 1057 C ALA A 732 39.627 6.365 -15.521 1.00 14.05 C ATOM 1058 O ALA A 732 40.740 6.065 -15.061 1.00 15.48 O ATOM 1059 CB ALA A 732 37.797 7.048 -13.942 1.00 15.23 C ATOM 1060 H ALA A 732 37.142 8.329 -16.044 1.00 0.00 H ATOM 1061 N ARG A 733 39.073 5.680 -16.526 1.00 14.36 N ATOM 1062 CA ARG A 733 39.808 4.590 -17.155 1.00 14.57 C ATOM 1063 C ARG A 733 41.114 5.090 -17.773 1.00 15.56 C ATOM 1064 O ARG A 733 42.149 4.419 -17.682 1.00 16.38 O ATOM 1065 CB ARG A 733 38.935 3.904 -18.205 1.00 14.81 C ATOM 1066 CG ARG A 733 39.616 2.701 -18.845 1.00 16.47 C ATOM 1067 CD ARG A 733 38.816 2.121 -19.996 1.00 18.24 C ATOM 1068 NE ARG A 733 37.629 1.406 -19.533 1.00 16.45 N ATOM 1069 CZ ARG A 733 37.610 0.127 -19.171 1.00 15.84 C ATOM 1070 NH1 ARG A 733 38.722 -0.603 -19.202 1.00 15.67 N ATOM 1071 NH2 ARG A 733 36.468 -0.419 -18.778 1.00 17.10 N ATOM 1072 HE ARG A 733 36.735 1.935 -19.483 1.00 0.00 H ATOM 1073 HH12 ARG A 733 38.696 -1.603 -18.917 1.00 0.00 H ATOM 1074 HH11 ARG A 733 39.617 -0.174 -19.512 1.00 0.00 H ATOM 1075 HH22 ARG A 733 36.441 -1.419 -18.492 1.00 0.00 H ATOM 1076 HH21 ARG A 733 35.599 0.152 -18.755 1.00 0.00 H ATOM 1077 H ARG A 733 38.119 5.925 -16.859 1.00 0.00 H ATOM 1078 N ARG A 734 41.090 6.270 -18.399 1.00 14.92 N ATOM 1079 CA ARG A 734 42.323 6.822 -18.950 1.00 16.57 C ATOM 1080 C ARG A 734 43.363 7.026 -17.854 1.00 15.92 C ATOM 1081 O ARG A 734 44.553 6.748 -18.053 1.00 17.39 O ATOM 1082 CB ARG A 734 42.030 8.127 -19.698 1.00 18.56 C ATOM 1083 CG ARG A 734 43.285 8.818 -20.199 1.00 19.85 C ATOM 1084 CD ARG A 734 42.991 9.825 -21.289 1.00 23.88 C ATOM 1085 NE ARG A 734 44.226 10.430 -21.791 1.00 26.15 N ATOM 1086 CZ ARG A 734 45.091 9.812 -22.596 1.00 32.02 C ATOM 1087 NH1 ARG A 734 44.863 8.567 -22.996 1.00 34.28 N ATOM 1088 NH2 ARG A 734 46.186 10.433 -23.008 1.00 27.86 N ATOM 1089 HE ARG A 734 44.443 11.405 -21.501 1.00 0.00 H ATOM 1090 HH12 ARG A 734 45.541 8.090 -23.624 1.00 0.00 H ATOM 1091 HH11 ARG A 734 44.006 8.068 -22.682 1.00 0.00 H ATOM 1092 HH22 ARG A 734 46.856 9.944 -23.636 1.00 0.00 H ATOM 1093 HH21 ARG A 734 46.376 11.409 -22.704 1.00 0.00 H ATOM 1094 H ARG A 734 40.196 6.793 -18.493 1.00 0.00 H ATOM 1095 N GLN A 735 42.927 7.498 -16.682 1.00 17.24 N ATOM 1096 CA GLN A 735 43.842 7.655 -15.556 1.00 16.68 C ATOM 1097 C GLN A 735 44.382 6.314 -15.077 1.00 17.57 C ATOM 1098 O GLN A 735 45.550 6.219 -14.685 1.00 18.49 O ATOM 1099 CB GLN A 735 43.151 8.402 -14.415 1.00 17.78 C ATOM 1100 CG GLN A 735 42.841 9.856 -14.740 1.00 21.33 C ATOM 1101 CD GLN A 735 44.069 10.619 -15.222 1.00 33.26 C ATOM 1102 OE1 GLN A 735 44.019 11.323 -16.229 1.00 42.18 O ATOM 1103 NE2 GLN A 735 45.179 10.472 -14.507 1.00 30.82 N ATOM 1104 HE22 GLN A 735 45.177 9.866 -13.662 1.00 0.00 H ATOM 1105 HE21 GLN A 735 46.050 10.963 -14.793 1.00 0.00 H ATOM 1106 H GLN A 735 41.926 7.756 -16.571 1.00 0.00 H ATOM 1107 N ALA A 736 43.555 5.261 -15.104 1.00 16.39 N ATOM 1108 CA ALA A 736 44.060 3.938 -14.740 1.00 16.63 C ATOM 1109 C ALA A 736 45.092 3.445 -15.747 1.00 17.61 C ATOM 1110 O ALA A 736 46.113 2.860 -15.363 1.00 18.50 O ATOM 1111 CB ALA A 736 42.906 2.941 -14.633 1.00 17.37 C ATOM 1112 H ALA A 736 42.560 5.383 -15.382 1.00 0.00 H ATOM 1113 N GLU A 737 44.847 3.680 -17.040 1.00 17.55 N ATOM 1114 CA GLU A 737 45.793 3.269 -18.076 1.00 17.57 C ATOM 1115 C GLU A 737 47.109 4.019 -17.961 1.00 19.73 C ATOM 1116 O GLU A 737 48.160 3.475 -18.310 1.00 22.56 O ATOM 1117 CB GLU A 737 45.167 3.472 -19.454 1.00 19.33 C ATOM 1118 CG GLU A 737 44.020 2.518 -19.712 1.00 18.95 C ATOM 1119 CD GLU A 737 43.291 2.781 -21.017 1.00 19.89 C ATOM 1120 OE1 GLU A 737 43.718 3.661 -21.799 1.00 23.64 O ATOM 1121 OE2 GLU A 737 42.286 2.085 -21.271 1.00 20.60 O ATOM 1122 H GLU A 737 43.968 4.164 -17.314 1.00 0.00 H ATOM 1123 N LYS A 738 47.073 5.255 -17.458 1.00 20.35 N ATOM 1124 CA LYS A 738 48.291 6.032 -17.278 1.00 22.03 C ATOM 1125 C LYS A 738 49.202 5.399 -16.236 1.00 21.61 C ATOM 1126 O LYS A 738 50.427 5.566 -16.301 1.00 24.75 O ATOM 1127 CB LYS A 738 47.919 7.462 -16.892 1.00 23.16 C ATOM 1128 CG LYS A 738 49.061 8.458 -16.920 1.00 28.78 C ATOM 1129 CD LYS A 738 48.576 9.828 -16.464 1.00 35.88 C ATOM 1130 CE LYS A 738 49.733 10.709 -16.023 1.00 51.10 C ATOM 1131 NZ LYS A 738 49.259 12.017 -15.493 1.00 58.61 N ATOM 1132 HZ1 LYS A 738 48.729 12.519 -16.234 1.00 0.00 H ATOM 1133 HZ2 LYS A 738 48.640 11.854 -14.673 1.00 0.00 H ATOM 1134 HZ3 LYS A 738 50.077 12.589 -15.203 1.00 0.00 H ATOM 1135 H LYS A 738 46.158 5.671 -17.190 1.00 0.00 H ATOM 1136 N MET A 739 48.633 4.656 -15.287 1.00 22.30 N ATOM 1137 CA MET A 739 49.417 4.002 -14.244 1.00 24.32 C ATOM 1138 C MET A 739 50.241 2.862 -14.825 1.00 38.09 C ATOM 1139 O MET A 739 50.818 2.067 -14.084 1.00 44.04 O ATOM 1140 CB MET A 739 48.490 3.460 -13.159 1.00 28.66 C ATOM 1141 CG MET A 739 47.761 4.537 -12.407 1.00 24.96 C ATOM 1142 SD MET A 739 46.441 3.893 -11.361 1.00 24.42 S ATOM 1143 CE MET A 739 45.856 5.420 -10.650 1.00 26.76 C ATOM 1144 H MET A 739 47.600 4.539 -15.290 1.00 0.00 H TER 1145 MET A 739 HETATM 1146 O HOH 1 36.919 12.224 -4.157 1.00 42.75 O HETATM 1147 O HOH 2 53.761 -1.688 -10.495 1.00 42.27 O HETATM 1148 O HOH 3 38.872 13.644 -12.272 1.00 35.96 O HETATM 1149 O HOH 4 48.471 -5.179 -12.789 1.00 28.58 O HETATM 1150 O HOH 5 19.646 11.692 -20.067 1.00 39.99 O HETATM 1151 O HOH 6 44.750 -1.342 0.673 1.00 49.20 O HETATM 1152 O HOH 7 13.853 10.156 -22.064 1.00 38.20 O HETATM 1153 O HOH 8 24.313 10.882 -4.693 1.00 19.71 O HETATM 1154 O HOH 9 31.566 14.039 -3.912 1.00 43.86 O HETATM 1155 O HOH 10 52.614 3.287 -5.610 1.00 43.13 O HETATM 1156 O HOH 11 28.473 -6.020 0.938 1.00 46.81 O HETATM 1157 O HOH 12 29.066 -9.225 -16.192 1.00 47.63 O HETATM 1158 O HOH 13 39.527 -4.925 3.073 1.00 44.85 O HETATM 1159 O HOH 14 33.690 -1.736 4.186 1.00 36.97 O HETATM 1160 O HOH 15 38.121 -9.347 0.593 1.00 42.10 O HETATM 1161 O HOH 16 27.549 4.573 -18.349 1.00 39.37 O HETATM 1162 O HOH 17 10.161 4.815 -3.007 1.00 42.17 O HETATM 1163 O HOH 18 35.861 8.164 -1.155 1.00 38.68 O HETATM 1164 O HOH 19 30.841 -1.944 -19.569 1.00 37.18 O HETATM 1165 O HOH 20 24.098 8.042 -4.694 1.00 20.51 O HETATM 1166 O HOH 21 39.395 -5.675 -20.942 1.00 20.33 O HETATM 1167 O HOH 22 36.892 6.481 1.358 1.00 47.91 O HETATM 1168 O HOH 23 27.161 15.242 -16.367 1.00 31.87 O HETATM 1169 O HOH 24 44.126 12.369 -20.100 1.00 44.43 O HETATM 1170 O HOH 25 5.834 8.931 -17.658 1.00 33.10 O HETATM 1171 O HOH 26 32.599 -9.981 -17.087 1.00 39.14 O HETATM 1172 O HOH 27 7.194 -5.494 -5.154 1.00 45.97 O HETATM 1173 O HOH 28 22.567 10.916 -13.548 1.00 22.20 O HETATM 1174 O HOH 29 7.548 -6.441 -10.643 1.00 41.67 O HETATM 1175 O HOH 30 16.919 -1.322 -9.660 1.00 16.13 O HETATM 1176 O HOH 31 38.671 -7.430 -9.653 1.00 24.21 O HETATM 1177 O HOH 32 15.852 3.033 0.446 1.00 36.00 O HETATM 1178 O HOH 33 28.783 4.357 -1.352 1.00 26.46 O HETATM 1179 O HOH 34 29.214 -7.661 -11.818 1.00 36.57 O HETATM 1180 O HOH 35 21.283 7.087 -23.566 1.00 25.12 O HETATM 1181 O HOH 36 29.006 11.193 -20.354 1.00 29.04 O HETATM 1182 O HOH 37 51.831 3.327 -3.707 1.00 39.01 O HETATM 1183 O HOH 38 22.233 -3.978 -4.095 1.00 18.93 O HETATM 1184 O HOH 39 32.220 -6.788 -11.456 1.00 24.59 O HETATM 1185 O HOH 40 2.664 6.094 -19.496 1.00 36.15 O HETATM 1186 O HOH 41 31.205 7.421 -2.842 1.00 35.35 O HETATM 1187 O HOH 42 25.994 1.867 -17.634 1.00 34.35 O HETATM 1188 O HOH 43 29.576 1.912 -18.857 1.00 30.63 O HETATM 1189 O HOH 44 30.719 -7.685 -7.602 1.00 27.65 O HETATM 1190 O HOH 45 19.953 -3.231 -7.989 1.00 16.36 O HETATM 1191 O HOH 46 29.256 13.225 -16.804 1.00 25.46 O HETATM 1192 O HOH 47 40.160 -1.298 2.262 1.00 36.20 O HETATM 1193 O HOH 48 40.440 3.101 -22.976 1.00 23.83 O HETATM 1194 O HOH 49 18.488 -0.753 1.611 1.00 25.76 O HETATM 1195 O HOH 50 34.339 -3.983 2.731 1.00 26.71 O HETATM 1196 O HOH 51 23.372 -0.564 -18.802 1.00 36.02 O HETATM 1197 O HOH 52 31.362 15.462 -14.272 1.00 29.41 O HETATM 1198 O HOH 53 48.763 2.468 -9.671 1.00 28.36 O HETATM 1199 O HOH 54 56.165 -2.381 -6.765 1.00 38.38 O HETATM 1200 O HOH 55 32.962 2.430 -21.154 1.00 25.12 O HETATM 1201 O HOH 56 20.921 10.629 -25.107 1.00 44.09 O HETATM 1202 O HOH 57 20.635 -6.230 -14.988 1.00 22.21 O HETATM 1203 O HOH 58 38.854 -3.220 -4.835 1.00 18.11 O HETATM 1204 O HOH 59 25.452 -3.797 0.950 1.00 31.00 O HETATM 1205 O HOH 60 24.664 -4.688 -16.864 1.00 21.64 O HETATM 1206 O HOH 61 19.345 9.365 -9.796 1.00 25.46 O HETATM 1207 O HOH 62 19.017 1.441 -5.059 1.00 17.35 O HETATM 1208 O HOH 63 46.780 8.281 -13.338 1.00 27.50 O HETATM 1209 O HOH 64 41.564 0.083 -19.523 1.00 20.08 O HETATM 1210 O HOH 65 26.054 5.001 -0.762 1.00 23.42 O HETATM 1211 O HOH 66 23.132 14.465 -12.080 1.00 30.15 O HETATM 1212 O HOH 67 25.590 15.681 -6.377 1.00 30.30 O HETATM 1213 O HOH 68 45.392 7.655 -7.894 1.00 24.43 O HETATM 1214 O HOH 69 22.255 15.328 -3.722 1.00 23.92 O HETATM 1215 O HOH 70 27.177 -5.248 -15.786 1.00 19.41 O HETATM 1216 O HOH 71 43.617 3.420 -24.555 1.00 42.56 O HETATM 1217 O HOH 72 38.094 9.626 -11.153 1.00 18.63 O HETATM 1218 O HOH 73 33.767 -9.755 -13.515 1.00 20.69 O HETATM 1219 O HOH 74 23.879 -7.990 -4.384 1.00 37.54 O HETATM 1220 O HOH 75 44.261 -3.375 -12.896 1.00 32.80 O HETATM 1221 O HOH 76 41.681 11.302 -17.735 1.00 26.79 O HETATM 1222 O HOH 77 20.585 0.454 -7.143 1.00 16.68 O HETATM 1223 O HOH 78 27.948 16.608 -11.328 1.00 42.66 O HETATM 1224 O HOH 79 12.681 -10.335 -3.715 1.00 32.19 O HETATM 1225 O HOH 80 20.302 9.721 -12.510 1.00 19.22 O HETATM 1226 O HOH 81 48.897 -2.610 -16.795 1.00 43.13 O HETATM 1227 O HOH 82 9.306 0.619 -8.763 1.00 31.35 O HETATM 1228 O HOH 83 32.922 -6.955 -17.500 1.00 33.52 O HETATM 1229 O HOH 84 19.575 -0.586 -9.434 1.00 16.25 O HETATM 1230 O HOH 85 36.281 10.842 -13.955 1.00 21.10 O HETATM 1231 O HOH 86 49.547 11.361 -12.775 1.00 48.43 O HETATM 1232 O HOH 87 37.859 9.737 -2.801 1.00 30.58 O HETATM 1233 O HOH 88 42.364 -2.126 -14.829 1.00 25.03 O HETATM 1234 O HOH 89 52.476 7.015 -14.999 1.00 48.36 O HETATM 1235 O HOH 90 18.264 -5.170 -3.351 1.00 21.18 O HETATM 1236 O HOH 91 30.766 13.866 -10.742 1.00 22.09 O HETATM 1237 O HOH 92 35.000 3.539 -19.469 1.00 32.78 O HETATM 1238 O HOH 93 51.442 0.759 -1.973 1.00 40.96 O HETATM 1239 O HOH 94 9.571 0.461 -6.085 1.00 28.76 O HETATM 1240 O HOH 95 17.257 1.922 -1.637 1.00 26.37 O HETATM 1241 O HOH 96 40.348 9.022 -3.534 1.00 21.03 O HETATM 1242 O HOH 97 21.052 -8.607 -12.004 1.00 20.85 O HETATM 1243 O HOH 98 7.996 -2.325 -11.856 1.00 37.74 O HETATM 1244 O HOH 99 25.038 -2.805 -18.900 1.00 41.61 O HETATM 1245 O HOH 100 47.117 12.636 -21.440 1.00 40.69 O HETATM 1246 O HOH 101 28.095 8.367 -21.843 1.00 38.11 O HETATM 1247 O HOH 102 35.792 -3.205 -21.265 1.00 23.73 O HETATM 1248 O HOH 103 48.604 1.304 -20.132 1.00 49.00 O HETATM 1249 O HOH 104 14.555 5.925 -22.583 1.00 31.89 O HETATM 1250 O HOH 105 7.391 0.111 -19.812 1.00 17.86 O HETATM 1251 O HOH 106 25.237 15.913 -10.462 1.00 28.54 O HETATM 1252 O HOH 107 28.686 -4.533 -17.993 1.00 25.80 O HETATM 1253 O HOH 108 28.842 -7.696 -4.904 1.00 29.48 O HETATM 1254 O HOH 109 35.770 -9.606 -9.358 1.00 33.56 O HETATM 1255 O HOH 110 8.688 3.114 -25.607 1.00 26.71 O HETATM 1256 O HOH 111 7.802 0.316 -12.644 1.00 24.27 O HETATM 1257 O HOH 112 29.755 11.445 -3.848 1.00 30.73 O HETATM 1258 O HOH 113 34.419 6.273 -2.671 1.00 26.97 O HETATM 1259 O HOH 114 12.206 -6.235 -18.053 1.00 37.70 O HETATM 1260 O HOH 115 44.703 3.000 -1.343 1.00 28.92 O HETATM 1261 O HOH 116 21.861 0.000 -21.172 1.00 20.86 O HETATM 1262 O HOH 117 29.005 -7.309 -1.330 1.00 34.24 O HETATM 1263 O HOH 118 9.816 6.129 -10.414 1.00 18.18 O HETATM 1264 O HOH 119 18.711 13.756 -2.284 1.00 31.45 O HETATM 1265 O HOH 120 35.723 12.407 -6.311 1.00 38.73 O HETATM 1266 O HOH 121 19.817 -3.283 -5.017 1.00 17.94 O HETATM 1267 O HOH 122 40.000 6.676 -25.382 1.00 21.29 O HETATM 1268 O HOH 123 9.249 -5.755 -12.903 1.00 37.69 O HETATM 1269 O HOH 124 18.446 -12.341 -6.468 1.00 43.16 O HETATM 1270 O HOH 125 42.118 6.669 0.025 1.00 27.60 O HETATM 1271 O HOH 126 19.160 6.265 -24.993 1.00 30.01 O HETATM 1272 O HOH 127 40.158 -3.434 -16.785 1.00 21.18 O HETATM 1273 O HOH 128 35.597 15.373 -8.778 1.00 37.91 O HETATM 1274 O HOH 129 20.177 13.571 -0.091 1.00 33.06 O HETATM 1275 O HOH 130 42.191 6.215 -22.258 1.00 30.95 O HETATM 1276 O HOH 131 22.336 6.818 1.560 1.00 38.13 O HETATM 1277 O HOH 132 19.052 4.015 -2.359 1.00 20.99 O HETATM 1278 O HOH 133 51.601 1.965 -11.158 1.00 41.08 O HETATM 1279 O HOH 134 24.523 12.984 -1.097 1.00 40.29 O HETATM 1280 O HOH 135 20.904 12.157 1.277 1.00 38.83 O HETATM 1281 O HOH 136 25.929 11.038 -3.193 1.00 32.59 O HETATM 1282 O HOH 137 7.565 -1.174 -4.755 1.00 44.21 O HETATM 1283 O HOH 138 14.259 -3.577 3.397 1.00 43.37 O HETATM 1284 O HOH 139 24.121 6.157 -22.800 1.00 30.06 O HETATM 1285 O HOH 140 32.195 4.924 -21.019 1.00 26.68 O HETATM 1286 O HOH 141 45.648 0.027 -16.748 1.00 38.48 O HETATM 1287 O HOH 142 5.883 2.284 -19.385 1.00 24.59 O HETATM 1288 O HOH 143 26.947 6.277 -22.015 1.00 39.33 O HETATM 1289 O HOH 144 40.340 10.620 -12.232 1.00 30.15 O HETATM 1290 O HOH 145 16.906 1.451 2.500 1.00 48.49 O HETATM 1291 O HOH 146 23.863 1.901 4.076 1.00 44.31 O HETATM 1292 O HOH 147 12.282 -13.408 -3.546 1.00 37.57 O HETATM 1293 O HOH 148 33.956 13.313 -16.692 1.00 37.90 O HETATM 1294 O HOH 149 43.787 -7.855 -11.520 1.00 38.76 O HETATM 1295 O HOH 150 24.411 13.260 -4.358 1.00 35.20 O HETATM 1296 O HOH 151 40.748 -7.252 -19.479 1.00 50.86 O HETATM 1297 O HOH 152 34.344 -5.198 -19.144 1.00 25.12 O HETATM 1298 O HOH 153 19.038 -9.674 -13.880 1.00 26.49 O HETATM 1299 O HOH 154 31.294 -6.044 -18.413 1.00 38.75 O HETATM 1300 O HOH 155 21.521 14.801 -0.294 1.00 47.20 O HETATM 1301 O HOH 156 53.686 0.639 -12.012 1.00 49.23 O HETATM 1302 O HOH 157 11.800 -7.298 -13.786 1.00 45.70 O HETATM 1303 O HOH 158 39.089 11.470 -14.609 1.00 28.95 O HETATM 1304 O HOH 159 43.649 -7.813 -13.415 1.00 14.86 O HETATM 1305 O HOH 160 7.530 5.829 -21.521 1.00 46.99 O HETATM 1306 O HOH 161 34.369 16.221 -11.091 1.00 41.85 O HETATM 1307 O HOH 162 20.293 0.009 3.360 1.00 43.11 O HETATM 1308 O HOH 163 30.440 9.560 -2.319 1.00 49.47 O HETATM 1309 O HOH 164 28.886 0.000 -21.172 1.00 34.99 O HETATM 1310 O HOH 165 43.073 9.369 -8.179 1.00 24.22 O HETATM 1311 O HOH 166 27.865 -9.184 -13.259 1.00 43.88 O HETATM 1312 O HOH 167 26.001 -1.849 -20.196 1.00 41.59 O HETATM 1313 O HOH 168 34.245 11.546 -26.850 1.00 23.91 O HETATM 1314 O HOH 169 29.386 4.047 -20.069 1.00 30.42 O HETATM 1315 O HOH 170 53.101 -5.184 -11.305 1.00 40.03 O HETATM 1316 O HOH 171 27.557 -4.244 -20.407 1.00 37.90 O HETATM 1317 O HOH 172 17.426 -14.540 -5.646 1.00 47.88 O HETATM 1318 O HOH 173 35.579 13.970 -18.585 1.00 44.45 O HETATM 1319 O HOH 174 40.520 13.091 -15.975 1.00 43.18 O HETATM 1320 O HOH 175 32.831 14.361 -12.413 1.00 27.02 O HETATM 1321 O HOH 176 5.975 3.809 -21.696 1.00 29.26 O HETATM 1322 O HOH 177 34.610 13.169 -14.413 1.00 31.50 O HETATM 1323 O HOH 178 23.212 0.443 3.123 1.00 38.06 O HETATM 1324 O HOH 179 25.185 5.564 1.780 1.00 43.67 O HETATM 1325 O HOH 180 11.805 -8.558 -15.492 1.00 52.13 O HETATM 1326 O HOH 181 11.937 -4.924 7.164 1.00 50.30 O HETATM 1327 O HOH 182 20.299 -11.582 -4.435 1.00 33.83 O HETATM 1328 O HOH 183 27.086 -7.959 -15.388 1.00 34.34 O HETATM 1329 O HOH 184 32.928 -8.481 -9.576 1.00 43.16 O HETATM 1330 O HOH 185 32.971 -11.303 -11.307 1.00 34.74 O HETATM 1331 O HOH 186 23.125 -9.954 -13.410 1.00 25.14 O HETATM 1332 O HOH 187 43.023 10.590 -10.864 1.00 30.21 O HETATM 1333 O HOH 188 22.407 -6.138 -2.157 1.00 26.78 O HETATM 1334 O HOH 189 31.574 14.482 -16.645 1.00 30.42 O HETATM 1335 O HOH 190 42.553 0.086 -16.806 1.00 36.56 O HETATM 1336 O HOH 191 42.708 13.828 -7.763 1.00 44.83 O HETATM 1337 O HOH 192 49.579 8.104 -12.884 1.00 35.53 O HETATM 1338 O HOH 193 50.795 4.177 -10.089 1.00 35.01 O HETATM 1339 O HOH 194 28.065 14.046 -19.119 1.00 41.16 O HETATM 1340 O HOH 195 51.409 6.558 -12.135 1.00 49.19 O HETATM 1341 O HOH 196 42.497 5.739 -25.561 1.00 31.13 O HETATM 1342 O HOH 197 39.241 6.233 2.984 1.00 50.91 O HETATM 1343 O HOH 198 5.026 1.210 -13.132 1.00 41.81 O HETATM 1344 O HOH 199 41.451 11.423 -4.468 1.00 31.43 O HETATM 1345 O HOH 200 47.397 8.314 -5.663 1.00 48.17 O HETATM 1346 O HOH 201 26.699 -8.587 -3.884 1.00 36.63 O HETATM 1347 O HOH 202 26.713 15.345 -4.170 1.00 35.71 O HETATM 1348 O HOH 203 6.659 -2.164 -18.516 1.00 23.94 O HETATM 1349 O HOH 204 19.137 -6.756 0.559 1.00 35.89 O HETATM 1350 O HOH 205 26.967 -8.054 -1.909 1.00 41.84 O HETATM 1351 O HOH 206 19.837 -7.060 -2.038 1.00 28.80 O HETATM 1352 O HOH 207 20.828 -2.550 3.210 1.00 47.44 O HETATM 1353 O HOH 208 27.859 19.536 -11.826 1.00 42.41 O HETATM 1354 O HOH 209 23.743 -2.357 2.879 1.00 44.98 O HETATM 1355 O HOH 210 42.891 11.428 -6.320 1.00 29.04 O HETATM 1356 O HOH 211 16.221 -6.836 3.829 1.00 42.87 O HETATM 1357 O HOH 212 3.881 5.685 -22.482 1.00 39.18 O HETATM 1358 O HOH 213 25.636 -10.774 -12.807 1.00 40.48 O HETATM 1359 O HOH 214 42.111 9.172 -1.169 1.00 32.59 O HETATM 1360 O HOH 215 22.321 -1.577 3.839 1.00 51.42 O HETATM 1361 O HOH 216 4.456 -1.644 -17.158 1.00 37.72 O HETATM 1362 O HOH 217 33.506 17.853 -12.224 1.00 54.04 O HETATM 1363 O HOH 218 20.270 -9.832 -2.358 1.00 29.29 O HETATM 1364 O HOH 219 20.818 -5.079 2.443 1.00 44.26 O HETATM 1365 O HOH 220 49.741 6.909 -9.989 1.00 50.95 O HETATM 1366 O HOH 221 17.897 -8.774 2.398 1.00 33.55 O HETATM 1367 O HOH 222 45.297 11.882 -5.059 1.00 54.32 O HETATM 1368 O HOH 223 41.494 11.315 -0.004 1.00 46.33 O HETATM 1369 CAA UNN A 224 16.232 3.400 -7.885 1.00 -0.04 C HETATM 1370 CAP UNN A 224 16.334 2.050 -7.148 1.00 0.05 C HETATM 1371 NBE UNN A 224 14.973 1.557 -6.848 1.00 -0.21 N HETATM 1372 CAZ UNN A 224 14.314 0.799 -7.762 1.00 0.32 C HETATM 1373 CAY UNN A 224 13.023 0.354 -7.495 1.00 0.31 C HETATM 1374 NAS UNN A 224 12.407 0.669 -6.295 1.00 -0.22 N HETATM 1375 CBA UNN A 224 13.107 1.450 -5.377 1.00 0.10 C HETATM 1376 CAO UNN A 224 12.501 1.779 -4.173 1.00 -0.03 C HETATM 1377 CAV UNN A 224 13.157 2.546 -3.220 1.00 0.02 C HETATM 1378 CAK UNN A 224 14.446 3.004 -3.508 1.00 -0.07 C HETATM 1379 CAL UNN A 224 15.067 2.669 -4.719 1.00 -0.05 C HETATM 1380 CBB UNN A 224 14.394 1.889 -5.669 1.00 0.10 C HETATM 1381 H12 UNN A 224 16.074 3.015 -4.922 1.00 0.05 H HETATM 1382 H11 UNN A 224 14.970 3.623 -2.789 1.00 0.05 H HETATM 1383 CAT UNN A 224 12.456 2.851 -2.035 1.00 0.19 C HETATM 1384 NAR UNN A 224 12.761 4.024 -1.446 1.00 -0.26 N HETATM 1385 CBC UNN A 224 12.020 4.508 -0.254 1.00 0.15 C HETATM 1386 CAW UNN A 224 12.321 5.845 0.009 1.00 -0.00 C HETATM 1387 CAJ UNN A 224 11.355 6.832 -0.169 1.00 -0.06 C HETATM 1388 CAG UNN A 224 11.660 8.162 0.100 1.00 -0.07 C HETATM 1389 CAI UNN A 224 12.928 8.505 0.551 1.00 -0.03 C HETATM 1390 CAU UNN A 224 13.887 7.517 0.737 1.00 0.13 C HETATM 1391 CAN UNN A 224 13.587 6.188 0.463 1.00 -0.02 C HETATM 1392 H14 UNN A 224 14.340 5.421 0.604 1.00 0.05 H HETATM 1393 FAF UNN A 224 15.119 7.840 1.176 1.00 -0.19 F HETATM 1394 H9 UNN A 224 13.169 9.541 0.757 1.00 0.05 H HETATM 1395 H7 UNN A 224 10.909 8.930 -0.042 1.00 0.06 H HETATM 1396 H10 UNN A 224 10.364 6.564 -0.518 1.00 0.05 H HETATM 1397 CAX UNN A 224 12.271 3.676 1.016 1.00 0.15 C HETATM 1398 NAQ UNN A 224 13.383 3.017 1.315 1.00 -0.33 N HETATM 1399 CAH UNN A 224 13.177 2.443 2.500 1.00 -0.04 C HETATM 1400 CAM UNN A 224 11.949 2.757 2.920 1.00 0.03 C HETATM 1401 NBD UNN A 224 11.381 3.527 1.993 1.00 -0.25 N HETATM 1402 CAB UNN A 224 10.023 4.115 2.036 1.00 0.05 C HETATM 1403 H4 UNN A 224 9.523 3.815 2.969 1.00 0.06 H HETATM 1404 H5 UNN A 224 9.440 3.755 1.175 1.00 0.06 H HETATM 1405 H6 UNN A 224 10.097 5.212 1.996 1.00 0.06 H HETATM 1406 H13 UNN A 224 11.492 2.439 3.856 1.00 0.08 H HETATM 1407 H8 UNN A 224 13.892 1.821 3.037 1.00 0.04 H HETATM 1408 H18 UNN A 224 10.947 4.439 -0.488 1.00 0.10 H HETATM 1409 H19 UNN A 224 13.503 4.581 -1.820 1.00 0.19 H HETATM 1410 OAC UNN A 224 11.527 2.140 -1.624 1.00 -0.39 O HETATM 1411 H15 UNN A 224 11.495 1.430 -3.972 1.00 0.05 H HETATM 1412 H20 UNN A 224 11.483 0.344 -6.092 1.00 0.22 H HETATM 1413 OAD UNN A 224 12.413 -0.327 -8.321 1.00 -0.35 O HETATM 1414 OAE UNN A 224 14.839 0.498 -8.842 1.00 -0.35 O HETATM 1415 H16 UNN A 224 16.892 2.184 -6.210 1.00 0.06 H HETATM 1416 H17 UNN A 224 16.857 1.322 -7.785 1.00 0.06 H HETATM 1417 H1 UNN A 224 17.242 3.772 -8.111 1.00 0.03 H HETATM 1418 H2 UNN A 224 15.708 4.127 -7.247 1.00 0.03 H HETATM 1419 H3 UNN A 224 15.673 3.265 -8.823 1.00 0.03 H CONECT 1 2 10 11 12 CONECT 10 1 CONECT 11 1 CONECT 12 1 CONECT 1369 1370 1417 1418 1419 CONECT 1370 1369 1371 1415 1416 CONECT 1371 1370 1372 1380 CONECT 1372 1371 1373 1414 CONECT 1373 1372 1374 1413 CONECT 1374 1373 1375 1412 CONECT 1375 1374 1376 1380 CONECT 1376 1375 1377 1411 CONECT 1377 1376 1378 1383 CONECT 1378 1377 1379 1382 CONECT 1379 1378 1380 1381 CONECT 1380 1371 1375 1379 CONECT 1381 1379 CONECT 1382 1378 CONECT 1383 1377 1384 1410 CONECT 1384 1383 1385 1409 CONECT 1385 1384 1386 1397 1408 CONECT 1386 1385 1387 1391 CONECT 1387 1386 1388 1396 CONECT 1388 1387 1389 1395 CONECT 1389 1388 1390 1394 CONECT 1390 1389 1391 1393 CONECT 1391 1386 1390 1392 CONECT 1392 1391 CONECT 1393 1390 CONECT 1394 1389 CONECT 1395 1388 CONECT 1396 1387 CONECT 1397 1385 1398 1401 CONECT 1398 1397 1399 CONECT 1399 1398 1400 1407 CONECT 1400 1399 1401 1406 CONECT 1401 1397 1400 1402 CONECT 1402 1401 1403 1404 1405 CONECT 1403 1402 CONECT 1404 1402 CONECT 1405 1402 CONECT 1406 1400 CONECT 1407 1399 CONECT 1408 1385 CONECT 1409 1384 CONECT 1410 1383 CONECT 1411 1376 CONECT 1412 1374 CONECT 1413 1373 CONECT 1414 1372 CONECT 1415 1370 CONECT 1416 1370 CONECT 1417 1369 CONECT 1418 1369 CONECT 1419 1369 MASTER 0 0 0 0 0 0 0 0 1418 1 55 9 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 5o5f
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4uye
RCSB PDB
PDBbind
118aa, >4UYE_1|Chains... *
5c7n
RCSB PDB
PDBbind
116aa, >5C7N_1|Chain... at 97%
5c85
RCSB PDB
PDBbind
116aa, >5C85_1|Chain... at 97%
5c87
RCSB PDB
PDBbind
116aa, >5C87_1|Chain... at 97%
5d7x
RCSB PDB
PDBbind
116aa, >5D7X_1|Chain... at 97%
5dy7
RCSB PDB
PDBbind
116aa, >5DY7_1|Chain... at 97%
5dya
RCSB PDB
PDBbind
116aa, >5DYA_1|Chain... at 97%
5e3d
RCSB PDB
PDBbind
116aa, >5E3D_1|Chain... at 97%
5e3g
RCSB PDB
PDBbind
116aa, >5E3G_1|Chain... at 97%
5em3
RCSB PDB
PDBbind
116aa, >5EM3_1|Chain... at 97%
5epr
RCSB PDB
PDBbind
116aa, >5EPR_1|Chain... at 97%
5eps
RCSB PDB
PDBbind
116aa, >5EPS_1|Chain... at 97%
5eq1
RCSB PDB
PDBbind
116aa, >5EQ1_1|Chain... at 97%
5etb
RCSB PDB
PDBbind
116aa, >5ETB_1|Chain... at 97%
5eva
RCSB PDB
PDBbind
116aa, >5EVA_1|Chain... at 97%
5ewd
RCSB PDB
PDBbind
116aa, >5EWD_1|Chain... at 97%
5ewh
RCSB PDB
PDBbind
116aa, >5EWH_1|Chain... at 97%
5mwg
RCSB PDB
PDBbind
116aa, >5MWG_1|Chains... at 97%
5mwh
RCSB PDB
PDBbind
116aa, >5MWH_1|Chains... at 97%
5mwz
RCSB PDB
PDBbind
116aa, >5MWZ_1|Chain... at 97%
5myg
RCSB PDB
PDBbind
116aa, >5MYG_1|Chains... at 97%
5o4s
RCSB PDB
PDBbind
116aa, >5O4S_1|Chains... at 97%
5o4t
RCSB PDB
PDBbind
116aa, >5O4T_1|Chain... at 97%
5o55
RCSB PDB
PDBbind
116aa, >5O55_1|Chain... at 97%
5o5a
RCSB PDB
PDBbind
116aa, >5O5A_1|Chain... at 97%
5o5h
RCSB PDB
PDBbind
116aa, >5O5H_1|Chain... at 97%
5ov8
RCSB PDB
PDBbind
116aa, >5OV8_1|Chains... at 97%
5owa
RCSB PDB
PDBbind
116aa, >5OWA_1|Chains... at 97%
5t4u
RCSB PDB
PDBbind
116aa, >5T4U_1|Chain... at 97%
5t4v
RCSB PDB
PDBbind
116aa, >5T4V_1|Chain... at 97%
6ekq
RCSB PDB
PDBbind
116aa, >6EKQ_1|Chains... at 97%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5o5f
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Peregrin
Ligand Name
9LT
EC.Number
E.C.-.-.-.-
Resolution
1.3(Å)
Affinity (Kd/Ki/IC50)
Kd=50uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Eur J Med Chem Vol. 155: pp. 337-352
Ligand Properties
Formula
C
2
2
H
2
0
FN
5
O
3
Molecular Weight
421.424
Exact Mass
421.155
No. of atoms
51
No. of bonds
54
Polar Surface Area
101.78
LOGP Value
1.69 (
Computed with XLOGP3
)
2.49 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 4
Canonical SMILES
CCn1c2ccc(cc2[nH]c(=O)c1=O)C(=O)N[C@@H](c1nccn1C)c1cccc(c1)F
InChI String
InChI=1S/C22H20FN5O3/c1-3-28-17-8-7-14(12-16(17)25-21(30)22(28)31)20(29)26-18(19-24-9-10-27(19)2)13-5-4-6-15(23)11-13/h4-12,18H,3H2,1-2H3,(H,25,30)(H,26,29)/t18-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P55201
Entrez Gene ID
NCBI Entrez Gene ID:
7862
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝e湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com