Browse entries in the PDBbind-CN Database
HEADER 5E3G_COMPLEX COMPND 5E3G_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 112 MET GLN LEU THR PRO PHE LEU ILE LEU LEU ARG LYS THR SEQRES 2 A 112 LEU GLU GLN LEU GLN GLU LYS ASP THR GLY ASN ILE PHE SEQRES 3 A 112 SER GLU PRO VAL PRO LEU SER GLU VAL PRO ASP TYR LEU SEQRES 4 A 112 ASP HIS ILE LYS LYS PRO MET ASP PHE PHE THR MET LYS SEQRES 5 A 112 GLN ASN LEU GLU ALA TYR ARG TYR LEU ASN PHE ASP ASP SEQRES 6 A 112 PHE GLU GLU ASP PHE ASN LEU ILE VAL SER ASN CYS LEU SEQRES 7 A 112 LYS TYR ASN ALA LYS ASP THR ILE PHE TYR ARG ALA ALA SEQRES 8 A 112 VAL ARG LEU ARG GLU GLN GLY GLY ALA VAL LEU ARG GLN SEQRES 9 A 112 ALA ARG ARG GLN ALA GLU LYS MET HET UNN A 177 16 ATOM 1 N MET A 628 51.745 -1.966 -12.129 1.00 82.31 N ATOM 2 CA MET A 628 50.743 -1.125 -11.484 1.00 76.97 C ATOM 3 C MET A 628 50.684 -1.400 -9.980 1.00 71.26 C ATOM 4 O MET A 628 50.585 -2.556 -9.553 1.00 66.55 O ATOM 5 CB MET A 628 49.368 -1.352 -12.114 1.00 77.32 C ATOM 6 CG MET A 628 48.486 -0.112 -12.169 1.00 75.87 C ATOM 7 SD MET A 628 46.725 -0.513 -12.263 1.00 71.36 S ATOM 8 CE MET A 628 46.135 0.657 -13.483 1.00 68.86 C ATOM 9 HN3 MET A 628 51.503 -2.967 -11.981 1.00 0.00 H ATOM 10 HN2 MET A 628 52.679 -1.769 -11.716 1.00 0.00 H ATOM 11 HN1 MET A 628 51.765 -1.760 -13.148 1.00 0.00 H ATOM 12 N GLN A 629 50.750 -0.334 -9.184 1.00 67.34 N ATOM 13 CA GLN A 629 50.674 -0.443 -7.734 1.00 55.92 C ATOM 14 C GLN A 629 49.220 -0.410 -7.288 1.00 48.68 C ATOM 15 O GLN A 629 48.392 0.316 -7.857 1.00 50.36 O ATOM 16 CB GLN A 629 51.437 0.690 -7.046 1.00 57.23 C ATOM 17 CG GLN A 629 52.901 0.790 -7.377 1.00 73.60 C ATOM 18 CD GLN A 629 53.519 2.042 -6.785 1.00 84.26 C ATOM 19 OE1 GLN A 629 52.863 2.781 -6.043 1.00 80.27 O ATOM 20 NE2 GLN A 629 54.783 2.293 -7.111 1.00 91.08 N ATOM 21 HE22 GLN A 629 55.297 1.643 -7.739 1.00 0.00 H ATOM 22 HE21 GLN A 629 55.258 3.140 -6.738 1.00 0.00 H ATOM 23 H GLN A 629 50.859 0.607 -9.612 1.00 0.00 H ATOM 24 N LEU A 630 48.922 -1.173 -6.235 1.00 47.56 N ATOM 25 CA LEU A 630 47.540 -1.305 -5.789 1.00 45.54 C ATOM 26 C LEU A 630 47.023 0.004 -5.202 1.00 44.82 C ATOM 27 O LEU A 630 45.917 0.444 -5.533 1.00 44.36 O ATOM 28 CB LEU A 630 47.414 -2.442 -4.769 1.00 52.91 C ATOM 29 CG LEU A 630 45.989 -2.621 -4.228 1.00 50.67 C ATOM 30 CD1 LEU A 630 45.019 -2.902 -5.351 1.00 53.15 C ATOM 31 CD2 LEU A 630 45.933 -3.722 -3.181 1.00 57.52 C ATOM 32 H LEU A 630 49.679 -1.676 -5.730 1.00 0.00 H ATOM 33 N THR A 631 47.824 0.653 -4.345 1.00 50.48 N ATOM 34 CA THR A 631 47.327 1.827 -3.625 1.00 53.80 C ATOM 35 C THR A 631 46.864 2.953 -4.542 1.00 46.79 C ATOM 36 O THR A 631 45.738 3.440 -4.349 1.00 46.95 O ATOM 37 CB THR A 631 48.378 2.327 -2.625 1.00 54.19 C ATOM 38 OG1 THR A 631 48.466 1.415 -1.526 1.00 59.77 O ATOM 39 CG2 THR A 631 47.989 3.704 -2.100 1.00 54.63 C ATOM 40 HG1 THR A 631 49.145 1.740 -0.883 1.00 0.00 H ATOM 41 H THR A 631 48.798 0.323 -4.192 1.00 0.00 H ATOM 42 N PRO A 632 47.641 3.421 -5.531 1.00 48.60 N ATOM 43 CA PRO A 632 47.109 4.500 -6.392 1.00 43.89 C ATOM 44 C PRO A 632 45.879 4.090 -7.183 1.00 41.02 C ATOM 45 O PRO A 632 44.973 4.912 -7.417 1.00 41.96 O ATOM 46 CB PRO A 632 48.292 4.835 -7.312 1.00 54.31 C ATOM 47 CG PRO A 632 49.200 3.654 -7.241 1.00 60.17 C ATOM 48 CD PRO A 632 49.038 3.088 -5.871 1.00 55.91 C ATOM 49 N PHE A 633 45.826 2.821 -7.605 1.00 41.56 N ATOM 50 CA PHE A 633 44.658 2.331 -8.324 1.00 38.39 C ATOM 51 C PHE A 633 43.410 2.409 -7.459 1.00 37.20 C ATOM 52 O PHE A 633 42.339 2.806 -7.936 1.00 37.32 O ATOM 53 CB PHE A 633 44.898 0.887 -8.783 1.00 41.27 C ATOM 54 CG PHE A 633 43.718 0.299 -9.496 1.00 39.75 C ATOM 55 CD1 PHE A 633 43.373 0.752 -10.755 1.00 38.26 C ATOM 56 CD2 PHE A 633 42.945 -0.685 -8.899 1.00 38.41 C ATOM 57 CE1 PHE A 633 42.271 0.233 -11.419 1.00 45.35 C ATOM 58 CE2 PHE A 633 41.839 -1.208 -9.564 1.00 36.59 C ATOM 59 CZ PHE A 633 41.510 -0.748 -10.820 1.00 42.26 C ATOM 60 H PHE A 633 46.624 2.181 -7.418 1.00 0.00 H ATOM 61 N LEU A 634 43.515 2.014 -6.190 1.00 39.64 N ATOM 62 CA LEU A 634 42.341 2.053 -5.330 1.00 38.59 C ATOM 63 C LEU A 634 41.968 3.487 -4.987 1.00 41.18 C ATOM 64 O LEU A 634 40.786 3.797 -4.837 1.00 40.68 O ATOM 65 CB LEU A 634 42.571 1.243 -4.059 1.00 46.07 C ATOM 66 CG LEU A 634 42.649 -0.283 -4.216 1.00 43.36 C ATOM 67 CD1 LEU A 634 42.813 -0.899 -2.847 1.00 48.56 C ATOM 68 CD2 LEU A 634 41.401 -0.815 -4.907 1.00 43.99 C ATOM 69 H LEU A 634 44.427 1.681 -5.818 1.00 0.00 H ATOM 70 N ILE A 635 42.963 4.364 -4.857 1.00 40.18 N ATOM 71 CA ILE A 635 42.669 5.789 -4.691 1.00 42.92 C ATOM 72 C ILE A 635 41.854 6.302 -5.875 1.00 42.08 C ATOM 73 O ILE A 635 40.878 7.050 -5.708 1.00 42.09 O ATOM 74 CB ILE A 635 43.978 6.578 -4.503 1.00 45.52 C ATOM 75 CG1 ILE A 635 44.525 6.358 -3.091 1.00 48.00 C ATOM 76 CG2 ILE A 635 43.761 8.061 -4.784 1.00 43.98 C ATOM 77 CD1 ILE A 635 45.964 6.802 -2.906 1.00 52.50 C ATOM 78 H ILE A 635 43.950 4.036 -4.873 1.00 0.00 H ATOM 79 N LEU A 636 42.230 5.896 -7.089 1.00 37.32 N ATOM 80 CA LEU A 636 41.489 6.305 -8.274 1.00 34.73 C ATOM 81 C LEU A 636 40.065 5.756 -8.270 1.00 34.71 C ATOM 82 O LEU A 636 39.118 6.483 -8.595 1.00 37.57 O ATOM 83 CB LEU A 636 42.248 5.867 -9.526 1.00 38.25 C ATOM 84 CG LEU A 636 41.489 5.957 -10.846 1.00 36.83 C ATOM 85 CD1 LEU A 636 41.165 7.403 -11.220 1.00 38.80 C ATOM 86 CD2 LEU A 636 42.260 5.279 -11.963 1.00 44.59 C ATOM 87 H LEU A 636 43.062 5.280 -7.190 1.00 0.00 H ATOM 88 N LEU A 637 39.882 4.474 -7.913 1.00 33.32 N ATOM 89 CA LEU A 637 38.525 3.936 -7.882 1.00 33.06 C ATOM 90 C LEU A 637 37.665 4.615 -6.822 1.00 34.59 C ATOM 91 O LEU A 637 36.464 4.800 -7.040 1.00 35.93 O ATOM 92 CB LEU A 637 38.532 2.429 -7.649 1.00 34.71 C ATOM 93 CG LEU A 637 39.117 1.558 -8.760 1.00 34.74 C ATOM 94 CD1 LEU A 637 38.859 0.107 -8.415 1.00 35.42 C ATOM 95 CD2 LEU A 637 38.468 1.932 -10.080 1.00 38.45 C ATOM 96 H LEU A 637 40.694 3.874 -7.663 1.00 0.00 H ATOM 97 N ARG A 638 38.250 4.986 -5.680 1.00 36.81 N ATOM 98 CA ARG A 638 37.501 5.717 -4.660 1.00 40.37 C ATOM 99 C ARG A 638 36.994 7.037 -5.216 1.00 37.11 C ATOM 100 O ARG A 638 35.813 7.378 -5.064 1.00 38.26 O ATOM 101 CB ARG A 638 38.374 5.970 -3.425 1.00 43.07 C ATOM 102 CG ARG A 638 38.699 4.721 -2.630 1.00 42.84 C ATOM 103 CD ARG A 638 39.458 5.032 -1.348 1.00 51.02 C ATOM 104 NE ARG A 638 39.792 3.788 -0.660 1.00 55.96 N ATOM 105 CZ ARG A 638 40.982 3.201 -0.708 1.00 58.82 C ATOM 106 NH1 ARG A 638 41.969 3.756 -1.395 1.00 61.35 N ATOM 107 NH2 ARG A 638 41.182 2.057 -0.066 1.00 62.94 N ATOM 108 HE ARG A 638 39.048 3.331 -0.095 1.00 0.00 H ATOM 109 HH12 ARG A 638 42.901 3.295 -1.432 1.00 0.00 H ATOM 110 HH11 ARG A 638 41.813 4.653 -1.898 1.00 0.00 H ATOM 111 HH22 ARG A 638 42.114 1.596 -0.103 1.00 0.00 H ATOM 112 HH21 ARG A 638 40.407 1.621 0.474 1.00 0.00 H ATOM 113 H ARG A 638 39.250 4.752 -5.515 1.00 0.00 H ATOM 114 N LYS A 639 37.881 7.786 -5.881 1.00 37.83 N ATOM 115 CA LYS A 639 37.500 9.061 -6.491 1.00 37.00 C ATOM 116 C LYS A 639 36.447 8.878 -7.574 1.00 37.56 C ATOM 117 O LYS A 639 35.508 9.689 -7.690 1.00 37.33 O ATOM 118 CB LYS A 639 38.744 9.733 -7.072 1.00 41.58 C ATOM 119 CG LYS A 639 38.491 11.016 -7.865 1.00 45.00 C ATOM 120 CD LYS A 639 39.802 11.535 -8.423 1.00 53.43 C ATOM 121 CE LYS A 639 39.642 12.891 -9.091 1.00 59.73 C ATOM 122 NZ LYS A 639 39.183 12.737 -10.496 1.00 64.10 N ATOM 123 HZ1 LYS A 639 39.882 12.181 -11.029 1.00 0.00 H ATOM 124 HZ2 LYS A 639 38.266 12.247 -10.508 1.00 0.00 H ATOM 125 HZ3 LYS A 639 39.081 13.676 -10.931 1.00 0.00 H ATOM 126 H LYS A 639 38.863 7.455 -5.966 1.00 0.00 H ATOM 127 N THR A 640 36.617 7.850 -8.415 1.00 34.87 N ATOM 128 CA THR A 640 35.653 7.576 -9.472 1.00 32.31 C ATOM 129 C THR A 640 34.290 7.225 -8.898 1.00 33.84 C ATOM 130 O THR A 640 33.255 7.702 -9.390 1.00 31.99 O ATOM 131 CB THR A 640 36.162 6.443 -10.358 1.00 34.19 C ATOM 132 OG1 THR A 640 37.478 6.773 -10.822 1.00 34.18 O ATOM 133 CG2 THR A 640 35.221 6.243 -11.548 1.00 34.47 C ATOM 134 HG1 THR A 640 38.081 6.889 -10.045 1.00 0.00 H ATOM 135 H THR A 640 37.451 7.237 -8.312 1.00 0.00 H ATOM 136 N LEU A 641 34.271 6.404 -7.848 1.00 33.15 N ATOM 137 CA LEU A 641 33.002 6.054 -7.229 1.00 30.43 C ATOM 138 C LEU A 641 32.321 7.300 -6.681 1.00 32.00 C ATOM 139 O LEU A 641 31.109 7.464 -6.840 1.00 35.26 O ATOM 140 CB LEU A 641 33.218 5.005 -6.137 1.00 37.75 C ATOM 141 CG LEU A 641 31.971 4.429 -5.468 1.00 39.11 C ATOM 142 CD1 LEU A 641 31.012 3.818 -6.481 1.00 37.07 C ATOM 143 CD2 LEU A 641 32.374 3.390 -4.420 1.00 39.87 C ATOM 144 H LEU A 641 35.160 6.015 -7.473 1.00 0.00 H ATOM 145 N GLU A 642 33.094 8.196 -6.055 1.00 32.74 N ATOM 146 CA GLU A 642 32.531 9.449 -5.565 1.00 34.31 C ATOM 147 C GLU A 642 31.925 10.253 -6.705 1.00 38.60 C ATOM 148 O GLU A 642 30.842 10.828 -6.556 1.00 37.35 O ATOM 149 CB GLU A 642 33.600 10.263 -4.842 1.00 40.28 C ATOM 150 CG GLU A 642 33.928 9.760 -3.445 1.00 50.50 C ATOM 151 CD GLU A 642 35.089 10.510 -2.803 1.00 69.28 C ATOM 152 OE1 GLU A 642 35.925 11.074 -3.544 1.00 68.72 O ATOM 153 OE2 GLU A 642 35.166 10.532 -1.555 1.00 79.70 O ATOM 154 H GLU A 642 34.105 7.997 -5.917 1.00 0.00 H ATOM 155 N GLN A 643 32.598 10.285 -7.864 1.00 37.06 N ATOM 156 CA GLN A 643 32.093 11.068 -8.998 1.00 32.89 C ATOM 157 C GLN A 643 30.810 10.474 -9.554 1.00 30.55 C ATOM 158 O GLN A 643 29.883 11.213 -9.931 1.00 35.30 O ATOM 159 CB GLN A 643 33.158 11.151 -10.094 1.00 34.03 C ATOM 160 CG GLN A 643 34.368 11.996 -9.689 1.00 38.01 C ATOM 161 CD GLN A 643 35.543 11.890 -10.650 1.00 41.24 C ATOM 162 OE1 GLN A 643 35.775 10.842 -11.261 1.00 39.51 O ATOM 163 NE2 GLN A 643 36.301 12.976 -10.775 1.00 45.28 N ATOM 164 HE22 GLN A 643 36.068 13.837 -10.241 1.00 0.00 H ATOM 165 HE21 GLN A 643 37.127 12.964 -11.407 1.00 0.00 H ATOM 166 H GLN A 643 33.485 9.751 -7.960 1.00 0.00 H ATOM 167 N LEU A 644 30.748 9.140 -9.616 1.00 31.18 N ATOM 168 CA LEU A 644 29.532 8.465 -10.040 1.00 28.35 C ATOM 169 C LEU A 644 28.387 8.763 -9.090 1.00 33.19 C ATOM 170 O LEU A 644 27.270 9.065 -9.527 1.00 32.90 O ATOM 171 CB LEU A 644 29.774 6.958 -10.138 1.00 27.33 C ATOM 172 CG LEU A 644 30.693 6.539 -11.279 1.00 26.87 C ATOM 173 CD1 LEU A 644 30.983 5.046 -11.129 1.00 29.96 C ATOM 174 CD2 LEU A 644 30.104 6.878 -12.658 1.00 28.54 C ATOM 175 H LEU A 644 31.583 8.576 -9.357 1.00 0.00 H ATOM 176 N GLN A 645 28.636 8.670 -7.786 1.00 34.05 N ATOM 177 CA GLN A 645 27.589 8.990 -6.821 1.00 35.24 C ATOM 178 C GLN A 645 27.108 10.426 -6.970 1.00 36.95 C ATOM 179 O GLN A 645 25.918 10.695 -6.781 1.00 41.45 O ATOM 180 CB GLN A 645 28.067 8.744 -5.393 1.00 39.99 C ATOM 181 CG GLN A 645 28.238 7.287 -5.058 1.00 45.14 C ATOM 182 CD GLN A 645 27.834 6.951 -3.637 1.00 53.70 C ATOM 183 OE1 GLN A 645 28.610 6.352 -2.894 1.00 60.47 O ATOM 184 NE2 GLN A 645 26.605 7.309 -3.258 1.00 49.01 N ATOM 185 HE22 GLN A 645 25.983 7.815 -3.921 1.00 0.00 H ATOM 186 HE21 GLN A 645 26.270 7.082 -2.300 1.00 0.00 H ATOM 187 H GLN A 645 29.575 8.370 -7.455 1.00 0.00 H ATOM 188 N GLU A 646 28.006 11.349 -7.335 1.00 35.30 N ATOM 189 CA GLU A 646 27.622 12.752 -7.511 1.00 36.59 C ATOM 190 C GLU A 646 26.612 12.936 -8.635 1.00 39.58 C ATOM 191 O GLU A 646 25.847 13.916 -8.624 1.00 38.26 O ATOM 192 CB GLU A 646 28.855 13.608 -7.790 1.00 39.81 C ATOM 193 CG GLU A 646 29.742 13.854 -6.590 1.00 51.60 C ATOM 194 CD GLU A 646 30.957 14.682 -6.946 1.00 69.33 C ATOM 195 OE1 GLU A 646 30.894 15.400 -7.967 1.00 76.61 O ATOM 196 OE2 GLU A 646 31.970 14.609 -6.213 1.00 78.12 O ATOM 197 H GLU A 646 28.993 11.065 -7.496 1.00 0.00 H ATOM 198 N LYS A 647 26.620 12.047 -9.631 1.00 36.35 N ATOM 199 CA LYS A 647 25.644 12.104 -10.715 1.00 33.14 C ATOM 200 C LYS A 647 24.268 11.610 -10.292 1.00 38.14 C ATOM 201 O LYS A 647 23.274 11.953 -10.950 1.00 40.13 O ATOM 202 CB LYS A 647 26.140 11.298 -11.920 1.00 35.10 C ATOM 203 CG LYS A 647 27.516 11.744 -12.403 1.00 34.16 C ATOM 204 CD LYS A 647 27.505 13.188 -12.842 1.00 38.94 C ATOM 205 CE LYS A 647 28.824 13.574 -13.460 1.00 41.65 C ATOM 206 NZ LYS A 647 28.816 14.992 -13.851 1.00 41.29 N ATOM 207 HZ1 LYS A 647 28.058 15.155 -14.544 1.00 0.00 H ATOM 208 HZ2 LYS A 647 28.652 15.581 -13.010 1.00 0.00 H ATOM 209 HZ3 LYS A 647 29.733 15.239 -14.275 1.00 0.00 H ATOM 210 H LYS A 647 27.339 11.296 -9.635 1.00 0.00 H ATOM 211 N ASP A 648 24.189 10.847 -9.198 1.00 32.95 N ATOM 212 CA ASP A 648 22.932 10.311 -8.673 1.00 34.37 C ATOM 213 C ASP A 648 22.442 11.311 -7.630 1.00 34.92 C ATOM 214 O ASP A 648 22.601 11.149 -6.420 1.00 36.51 O ATOM 215 CB ASP A 648 23.151 8.899 -8.118 1.00 32.89 C ATOM 216 CG ASP A 648 21.934 8.333 -7.372 1.00 40.35 C ATOM 217 OD1 ASP A 648 20.785 8.761 -7.619 1.00 35.69 O ATOM 218 OD2 ASP A 648 22.136 7.426 -6.528 1.00 36.32 O ATOM 219 H ASP A 648 25.069 10.621 -8.692 1.00 0.00 H ATOM 220 N THR A 649 21.868 12.409 -8.125 1.00 36.73 N ATOM 221 CA THR A 649 21.552 13.506 -7.214 1.00 41.75 C ATOM 222 C THR A 649 20.404 13.149 -6.279 1.00 46.23 C ATOM 223 O THR A 649 20.353 13.646 -5.146 1.00 48.81 O ATOM 224 CB THR A 649 21.201 14.771 -7.990 1.00 44.34 C ATOM 225 OG1 THR A 649 20.113 14.485 -8.874 1.00 41.84 O ATOM 226 CG2 THR A 649 22.399 15.280 -8.789 1.00 40.88 C ATOM 227 HG1 THR A 649 19.879 15.302 -9.382 1.00 0.00 H ATOM 228 H THR A 649 21.650 12.482 -9.139 1.00 0.00 H ATOM 229 N GLY A 650 19.468 12.322 -6.744 1.00 37.61 N ATOM 230 CA GLY A 650 18.427 11.808 -5.882 1.00 38.05 C ATOM 231 C GLY A 650 18.898 10.813 -4.853 1.00 44.04 C ATOM 232 O GLY A 650 18.122 10.474 -3.953 1.00 44.03 O ATOM 233 H GLY A 650 19.487 12.041 -7.745 1.00 0.00 H ATOM 234 N ASN A 651 20.143 10.339 -4.961 1.00 36.43 N ATOM 235 CA ASN A 651 20.651 9.264 -4.110 1.00 42.37 C ATOM 236 C ASN A 651 19.739 8.046 -4.177 1.00 39.75 C ATOM 237 O ASN A 651 19.516 7.350 -3.183 1.00 48.90 O ATOM 238 CB ASN A 651 20.832 9.724 -2.663 1.00 43.88 C ATOM 239 CG ASN A 651 22.094 10.532 -2.465 1.00 47.42 C ATOM 240 OD1 ASN A 651 23.075 10.364 -3.192 1.00 55.95 O ATOM 241 ND2 ASN A 651 22.085 11.402 -1.467 1.00 59.53 N ATOM 242 HD22 ASN A 651 21.234 11.510 -0.879 1.00 0.00 H ATOM 243 HD21 ASN A 651 22.929 11.977 -1.271 1.00 0.00 H ATOM 244 H ASN A 651 20.774 10.750 -5.678 1.00 0.00 H ATOM 245 N ILE A 652 19.195 7.778 -5.361 1.00 38.67 N ATOM 246 CA ILE A 652 18.252 6.671 -5.417 1.00 39.60 C ATOM 247 C ILE A 652 18.963 5.344 -5.581 1.00 36.79 C ATOM 248 O ILE A 652 18.324 4.299 -5.433 1.00 43.89 O ATOM 249 CB ILE A 652 17.192 6.890 -6.508 1.00 45.05 C ATOM 250 CG1 ILE A 652 17.756 6.625 -7.874 1.00 45.37 C ATOM 251 CG2 ILE A 652 16.611 8.310 -6.425 1.00 42.77 C ATOM 252 CD1 ILE A 652 16.819 5.804 -8.677 1.00 54.37 C ATOM 253 H ILE A 652 19.433 8.334 -6.207 1.00 0.00 H ATOM 254 N PHE A 653 20.273 5.367 -5.857 1.00 34.99 N ATOM 255 CA PHE A 653 21.111 4.179 -5.971 1.00 34.10 C ATOM 256 C PHE A 653 22.148 4.092 -4.854 1.00 38.35 C ATOM 257 O PHE A 653 23.120 3.335 -4.969 1.00 35.91 O ATOM 258 CB PHE A 653 21.814 4.166 -7.330 1.00 32.05 C ATOM 259 CG PHE A 653 20.885 4.308 -8.497 1.00 32.22 C ATOM 260 CD1 PHE A 653 20.907 5.447 -9.282 1.00 31.72 C ATOM 261 CD2 PHE A 653 19.982 3.305 -8.801 1.00 35.20 C ATOM 262 CE1 PHE A 653 20.036 5.579 -10.356 1.00 37.91 C ATOM 263 CE2 PHE A 653 19.115 3.427 -9.878 1.00 35.03 C ATOM 264 CZ PHE A 653 19.156 4.555 -10.665 1.00 35.26 C ATOM 265 H PHE A 653 20.723 6.294 -6.000 1.00 0.00 H ATOM 266 N SER A 654 21.963 4.853 -3.775 1.00 40.71 N ATOM 267 CA SER A 654 22.999 4.922 -2.753 1.00 41.18 C ATOM 268 C SER A 654 23.046 3.673 -1.882 1.00 44.74 C ATOM 269 O SER A 654 24.111 3.339 -1.355 1.00 44.79 O ATOM 270 CB SER A 654 22.794 6.162 -1.884 1.00 44.23 C ATOM 271 OG SER A 654 22.963 7.342 -2.650 1.00 43.14 O ATOM 272 HG SER A 654 23.878 7.361 -3.026 1.00 0.00 H ATOM 273 H SER A 654 21.083 5.395 -3.663 1.00 0.00 H ATOM 274 N GLU A 655 21.931 2.971 -1.729 1.00 41.48 N ATOM 275 CA GLU A 655 21.825 1.837 -0.825 1.00 45.08 C ATOM 276 C GLU A 655 21.073 0.713 -1.521 1.00 43.67 C ATOM 277 O GLU A 655 20.384 0.951 -2.517 1.00 44.77 O ATOM 278 CB GLU A 655 21.108 2.246 0.470 1.00 52.33 C ATOM 279 CG GLU A 655 21.853 3.310 1.251 1.00 57.03 C ATOM 280 CD GLU A 655 21.126 3.732 2.506 1.00 68.80 C ATOM 281 OE1 GLU A 655 21.795 4.235 3.433 1.00 72.65 O ATOM 282 OE2 GLU A 655 19.891 3.556 2.570 1.00 69.68 O ATOM 283 H GLU A 655 21.093 3.244 -2.281 1.00 0.00 H ATOM 284 N PRO A 656 21.201 -0.525 -1.032 1.00 46.70 N ATOM 285 CA PRO A 656 20.471 -1.638 -1.655 1.00 43.95 C ATOM 286 C PRO A 656 18.980 -1.349 -1.769 1.00 49.18 C ATOM 287 O PRO A 656 18.397 -0.631 -0.953 1.00 52.28 O ATOM 288 CB PRO A 656 20.736 -2.812 -0.701 1.00 47.92 C ATOM 289 CG PRO A 656 22.040 -2.491 -0.067 1.00 48.68 C ATOM 290 CD PRO A 656 22.073 -0.987 0.067 1.00 45.01 C ATOM 291 N VAL A 657 18.366 -1.908 -2.808 1.00 49.89 N ATOM 292 CA VAL A 657 16.915 -1.834 -2.963 1.00 49.73 C ATOM 293 C VAL A 657 16.283 -2.573 -1.790 1.00 55.83 C ATOM 294 O VAL A 657 16.526 -3.777 -1.627 1.00 59.20 O ATOM 295 CB VAL A 657 16.456 -2.432 -4.303 1.00 51.19 C ATOM 296 CG1 VAL A 657 14.933 -2.518 -4.347 1.00 51.25 C ATOM 297 CG2 VAL A 657 16.995 -1.609 -5.479 1.00 45.84 C ATOM 298 H VAL A 657 18.930 -2.408 -3.525 1.00 0.00 H ATOM 299 N PRO A 658 15.477 -1.904 -0.948 1.00 58.50 N ATOM 300 CA PRO A 658 14.940 -2.572 0.247 1.00 64.05 C ATOM 301 C PRO A 658 13.924 -3.650 -0.090 1.00 66.11 C ATOM 302 O PRO A 658 12.779 -3.347 -0.439 1.00 66.39 O ATOM 303 CB PRO A 658 14.297 -1.422 1.032 1.00 64.19 C ATOM 304 CG PRO A 658 13.948 -0.413 -0.004 1.00 62.94 C ATOM 305 CD PRO A 658 15.027 -0.506 -1.050 1.00 55.92 C ATOM 306 N LEU A 659 14.341 -4.915 0.022 1.00 66.69 N ATOM 307 CA LEU A 659 13.462 -6.034 -0.299 1.00 70.93 C ATOM 308 C LEU A 659 12.194 -6.034 0.542 1.00 76.28 C ATOM 309 O LEU A 659 11.184 -6.606 0.121 1.00 80.83 O ATOM 310 CB LEU A 659 14.207 -7.358 -0.113 1.00 72.46 C ATOM 311 CG LEU A 659 15.570 -7.492 -0.803 1.00 71.91 C ATOM 312 CD1 LEU A 659 16.217 -8.823 -0.452 1.00 78.08 C ATOM 313 CD2 LEU A 659 15.445 -7.338 -2.311 1.00 68.43 C ATOM 314 H LEU A 659 15.311 -5.105 0.344 1.00 0.00 H ATOM 315 N SER A 660 12.224 -5.403 1.719 1.00 78.80 N ATOM 316 CA SER A 660 11.029 -5.323 2.552 1.00 82.14 C ATOM 317 C SER A 660 9.947 -4.462 1.912 1.00 79.23 C ATOM 318 O SER A 660 8.755 -4.716 2.116 1.00 79.87 O ATOM 319 CB SER A 660 11.394 -4.782 3.935 1.00 83.71 C ATOM 320 OG SER A 660 12.191 -3.614 3.829 1.00 83.01 O ATOM 321 HG SER A 660 12.413 -3.284 4.736 1.00 0.00 H ATOM 322 H SER A 660 13.109 -4.964 2.045 1.00 0.00 H ATOM 323 N GLU A 661 10.336 -3.448 1.140 1.00 78.62 N ATOM 324 CA GLU A 661 9.383 -2.559 0.489 1.00 78.60 C ATOM 325 C GLU A 661 9.138 -2.907 -0.970 1.00 74.38 C ATOM 326 O GLU A 661 8.109 -2.507 -1.524 1.00 75.79 O ATOM 327 CB GLU A 661 9.866 -1.109 0.587 1.00 79.49 C ATOM 328 CG GLU A 661 10.110 -0.656 2.013 1.00 86.07 C ATOM 329 CD GLU A 661 10.882 0.640 2.084 1.00 84.90 C ATOM 330 OE1 GLU A 661 11.135 1.235 1.015 1.00 79.06 O ATOM 331 OE2 GLU A 661 11.236 1.058 3.207 1.00 89.69 O ATOM 332 H GLU A 661 11.353 -3.286 0.998 1.00 0.00 H ATOM 333 N VAL A 662 10.056 -3.631 -1.600 1.00 73.35 N ATOM 334 CA VAL A 662 9.884 -4.119 -2.965 1.00 68.63 C ATOM 335 C VAL A 662 9.966 -5.641 -2.907 1.00 68.83 C ATOM 336 O VAL A 662 10.969 -6.223 -3.342 1.00 68.97 O ATOM 337 CB VAL A 662 10.943 -3.517 -3.904 1.00 64.67 C ATOM 338 CG1 VAL A 662 10.662 -3.890 -5.345 1.00 63.38 C ATOM 339 CG2 VAL A 662 10.995 -2.001 -3.740 1.00 61.52 C ATOM 340 H VAL A 662 10.937 -3.861 -1.098 1.00 0.00 H ATOM 341 N PRO A 663 8.947 -6.322 -2.374 1.00 71.08 N ATOM 342 CA PRO A 663 9.097 -7.757 -2.080 1.00 74.82 C ATOM 343 C PRO A 663 9.351 -8.621 -3.303 1.00 74.93 C ATOM 344 O PRO A 663 9.926 -9.707 -3.162 1.00 81.19 O ATOM 345 CB PRO A 663 7.764 -8.118 -1.407 1.00 80.10 C ATOM 346 CG PRO A 663 7.216 -6.812 -0.911 1.00 78.48 C ATOM 347 CD PRO A 663 7.639 -5.807 -1.939 1.00 74.17 C ATOM 348 N ASP A 664 8.954 -8.182 -4.494 1.00 68.34 N ATOM 349 CA ASP A 664 9.126 -8.969 -5.707 1.00 68.11 C ATOM 350 C ASP A 664 10.448 -8.690 -6.415 1.00 65.62 C ATOM 351 O ASP A 664 10.659 -9.193 -7.525 1.00 63.34 O ATOM 352 CB ASP A 664 7.971 -8.700 -6.672 1.00 71.90 C ATOM 353 CG ASP A 664 8.039 -7.312 -7.282 1.00 69.87 C ATOM 354 OD1 ASP A 664 8.444 -6.367 -6.572 1.00 72.59 O ATOM 355 OD2 ASP A 664 7.700 -7.167 -8.474 1.00 68.80 O ATOM 356 H ASP A 664 8.506 -7.246 -4.561 1.00 0.00 H ATOM 357 N TYR A 665 11.340 -7.913 -5.800 1.00 66.34 N ATOM 358 CA TYR A 665 12.516 -7.423 -6.513 1.00 58.43 C ATOM 359 C TYR A 665 13.405 -8.565 -6.992 1.00 61.06 C ATOM 360 O TYR A 665 13.832 -8.589 -8.152 1.00 58.24 O ATOM 361 CB TYR A 665 13.308 -6.468 -5.625 1.00 58.18 C ATOM 362 CG TYR A 665 14.381 -5.731 -6.387 1.00 56.62 C ATOM 363 CD1 TYR A 665 14.048 -4.714 -7.273 1.00 56.01 C ATOM 364 CD2 TYR A 665 15.722 -6.058 -6.237 1.00 55.42 C ATOM 365 CE1 TYR A 665 15.019 -4.036 -7.983 1.00 52.76 C ATOM 366 CE2 TYR A 665 16.705 -5.380 -6.944 1.00 52.20 C ATOM 367 CZ TYR A 665 16.344 -4.370 -7.816 1.00 49.23 C ATOM 368 OH TYR A 665 17.311 -3.685 -8.526 1.00 44.10 O ATOM 369 HH TYR A 665 16.878 -3.002 -9.097 1.00 0.00 H ATOM 370 H TYR A 665 11.197 -7.654 -4.803 1.00 0.00 H ATOM 371 N LEU A 666 13.701 -9.521 -6.110 1.00 64.46 N ATOM 372 CA LEU A 666 14.626 -10.595 -6.455 1.00 65.81 C ATOM 373 C LEU A 666 14.040 -11.610 -7.431 1.00 70.67 C ATOM 374 O LEU A 666 14.751 -12.550 -7.803 1.00 73.97 O ATOM 375 CB LEU A 666 15.090 -11.313 -5.186 1.00 66.08 C ATOM 376 CG LEU A 666 16.288 -10.742 -4.422 1.00 63.54 C ATOM 377 CD1 LEU A 666 16.465 -11.489 -3.113 1.00 66.35 C ATOM 378 CD2 LEU A 666 17.561 -10.823 -5.251 1.00 64.47 C ATOM 379 H LEU A 666 13.267 -9.500 -5.165 1.00 0.00 H ATOM 380 N ASP A 667 12.784 -11.447 -7.858 1.00 70.46 N ATOM 381 CA ASP A 667 12.182 -12.402 -8.786 1.00 69.46 C ATOM 382 C ASP A 667 12.971 -12.499 -10.086 1.00 65.66 C ATOM 383 O ASP A 667 13.186 -13.600 -10.605 1.00 67.36 O ATOM 384 CB ASP A 667 10.731 -12.015 -9.072 1.00 76.42 C ATOM 385 CG ASP A 667 9.801 -12.363 -7.928 1.00 83.15 C ATOM 386 OD1 ASP A 667 10.307 -12.628 -6.818 1.00 86.36 O ATOM 387 OD2 ASP A 667 8.567 -12.370 -8.138 1.00 84.51 O ATOM 388 H ASP A 667 12.229 -10.632 -7.526 1.00 0.00 H ATOM 389 N HIS A 668 13.409 -11.360 -10.631 1.00 59.39 N ATOM 390 CA HIS A 668 14.161 -11.352 -11.879 1.00 60.30 C ATOM 391 C HIS A 668 15.447 -10.543 -11.805 1.00 59.50 C ATOM 392 O HIS A 668 16.189 -10.494 -12.794 1.00 58.88 O ATOM 393 CB HIS A 668 13.290 -10.828 -13.030 1.00 65.36 C ATOM 394 CG HIS A 668 12.101 -11.689 -13.321 1.00 74.30 C ATOM 395 ND1 HIS A 668 10.856 -11.447 -12.781 1.00 78.90 N ATOM 396 CD2 HIS A 668 11.971 -12.802 -14.081 1.00 73.01 C ATOM 397 CE1 HIS A 668 10.009 -12.368 -13.203 1.00 79.58 C ATOM 398 NE2 HIS A 668 10.660 -13.202 -13.994 1.00 77.60 N ATOM 399 H HIS A 668 13.208 -10.458 -10.153 1.00 0.00 H ATOM 400 N ILE A 669 15.734 -9.909 -10.672 1.00 61.22 N ATOM 401 CA ILE A 669 17.023 -9.267 -10.451 1.00 56.85 C ATOM 402 C ILE A 669 17.903 -10.301 -9.759 1.00 53.92 C ATOM 403 O ILE A 669 17.745 -10.572 -8.568 1.00 58.73 O ATOM 404 CB ILE A 669 16.895 -7.989 -9.623 1.00 54.56 C ATOM 405 CG1 ILE A 669 15.876 -7.032 -10.255 1.00 51.57 C ATOM 406 CG2 ILE A 669 18.261 -7.348 -9.465 1.00 49.63 C ATOM 407 CD1 ILE A 669 16.090 -6.781 -11.734 1.00 45.75 C ATOM 408 H ILE A 669 15.016 -9.870 -9.920 1.00 0.00 H ATOM 409 N LYS A 670 18.835 -10.879 -10.509 1.00 50.67 N ATOM 410 CA LYS A 670 19.640 -11.974 -9.984 1.00 59.42 C ATOM 411 C LYS A 670 20.863 -11.494 -9.217 1.00 55.67 C ATOM 412 O LYS A 670 21.418 -12.258 -8.423 1.00 60.14 O ATOM 413 CB LYS A 670 20.070 -12.909 -11.122 1.00 64.65 C ATOM 414 CG LYS A 670 21.267 -12.438 -11.926 1.00 67.41 C ATOM 415 CD LYS A 670 21.273 -13.074 -13.312 1.00 71.62 C ATOM 416 CE LYS A 670 22.644 -13.000 -13.973 1.00 70.15 C ATOM 417 H LYS A 670 18.992 -10.546 -11.482 1.00 0.00 H ATOM 418 N LYS A 671 21.290 -10.249 -9.413 1.00 47.20 N ATOM 419 CA LYS A 671 22.403 -9.694 -8.646 1.00 43.78 C ATOM 420 C LYS A 671 22.144 -8.219 -8.382 1.00 41.08 C ATOM 421 O LYS A 671 22.558 -7.351 -9.161 1.00 43.64 O ATOM 422 CB LYS A 671 23.740 -9.879 -9.359 1.00 42.76 C ATOM 423 CG LYS A 671 24.913 -9.471 -8.467 1.00 57.52 C ATOM 424 CD LYS A 671 26.267 -9.610 -9.139 1.00 56.51 C ATOM 425 CE LYS A 671 27.362 -9.075 -8.225 1.00 60.37 C ATOM 426 NZ LYS A 671 28.586 -8.661 -8.967 1.00 60.51 N ATOM 427 HZ1 LYS A 671 28.972 -9.479 -9.480 1.00 0.00 H ATOM 428 HZ2 LYS A 671 28.342 -7.910 -9.644 1.00 0.00 H ATOM 429 HZ3 LYS A 671 29.295 -8.306 -8.294 1.00 0.00 H ATOM 430 H LYS A 671 20.821 -9.658 -10.128 1.00 0.00 H ATOM 431 N PRO A 672 21.475 -7.904 -7.272 1.00 48.32 N ATOM 432 CA PRO A 672 21.293 -6.501 -6.888 1.00 40.69 C ATOM 433 C PRO A 672 22.634 -5.806 -6.739 1.00 40.85 C ATOM 434 O PRO A 672 23.651 -6.437 -6.434 1.00 42.96 O ATOM 435 CB PRO A 672 20.567 -6.596 -5.540 1.00 46.26 C ATOM 436 CG PRO A 672 19.972 -7.965 -5.507 1.00 54.01 C ATOM 437 CD PRO A 672 20.920 -8.833 -6.274 1.00 53.90 C ATOM 438 N MET A 673 22.632 -4.491 -6.961 1.00 38.87 N ATOM 439 CA MET A 673 23.845 -3.710 -6.778 1.00 34.68 C ATOM 440 C MET A 673 23.467 -2.259 -6.493 1.00 32.68 C ATOM 441 O MET A 673 22.403 -1.783 -6.906 1.00 37.06 O ATOM 442 CB MET A 673 24.765 -3.827 -8.004 1.00 36.30 C ATOM 443 CG MET A 673 26.157 -3.218 -7.861 1.00 31.91 C ATOM 444 SD MET A 673 27.074 -3.741 -6.391 1.00 35.27 S ATOM 445 CE MET A 673 27.131 -5.540 -6.590 1.00 37.02 C ATOM 446 H MET A 673 21.756 -4.021 -7.267 1.00 0.00 H ATOM 447 N ASP A 674 24.355 -1.575 -5.777 1.00 36.27 N ATOM 448 CA ASP A 674 24.160 -0.200 -5.342 1.00 35.60 C ATOM 449 C ASP A 674 25.516 0.380 -4.963 1.00 37.34 C ATOM 450 O ASP A 674 26.508 -0.338 -4.834 1.00 33.68 O ATOM 451 CB ASP A 674 23.209 -0.137 -4.153 1.00 40.67 C ATOM 452 CG ASP A 674 23.785 -0.822 -2.951 1.00 39.69 C ATOM 453 OD1 ASP A 674 23.627 -2.059 -2.843 1.00 42.04 O ATOM 454 OD2 ASP A 674 24.438 -0.132 -2.142 1.00 40.45 O ATOM 455 H ASP A 674 25.241 -2.051 -5.512 1.00 0.00 H ATOM 456 N PHE A 675 25.544 1.695 -4.742 1.00 33.82 N ATOM 457 CA PHE A 675 26.825 2.350 -4.487 1.00 37.52 C ATOM 458 C PHE A 675 27.421 1.974 -3.134 1.00 36.02 C ATOM 459 O PHE A 675 28.651 1.926 -3.001 1.00 37.06 O ATOM 460 CB PHE A 675 26.675 3.868 -4.575 1.00 35.69 C ATOM 461 CG PHE A 675 26.551 4.389 -5.979 1.00 35.06 C ATOM 462 CD1 PHE A 675 27.473 4.048 -6.951 1.00 34.93 C ATOM 463 CD2 PHE A 675 25.512 5.227 -6.323 1.00 34.38 C ATOM 464 CE1 PHE A 675 27.366 4.541 -8.245 1.00 34.20 C ATOM 465 CE2 PHE A 675 25.391 5.713 -7.607 1.00 35.93 C ATOM 466 CZ PHE A 675 26.316 5.378 -8.571 1.00 33.63 C ATOM 467 H PHE A 675 24.663 2.248 -4.751 1.00 0.00 H ATOM 468 N PHE A 676 26.588 1.757 -2.108 1.00 35.29 N ATOM 469 CA PHE A 676 27.124 1.357 -0.812 1.00 40.54 C ATOM 470 C PHE A 676 27.818 0.011 -0.917 1.00 41.55 C ATOM 471 O PHE A 676 28.939 -0.163 -0.430 1.00 41.65 O ATOM 472 CB PHE A 676 26.016 1.303 0.242 1.00 46.34 C ATOM 473 CG PHE A 676 26.499 0.899 1.606 1.00 49.10 C ATOM 474 CD1 PHE A 676 27.126 1.818 2.432 1.00 51.04 C ATOM 475 CD2 PHE A 676 26.336 -0.403 2.061 1.00 50.60 C ATOM 476 CE1 PHE A 676 27.583 1.452 3.691 1.00 56.88 C ATOM 477 CE2 PHE A 676 26.790 -0.777 3.322 1.00 52.75 C ATOM 478 CZ PHE A 676 27.414 0.153 4.137 1.00 57.08 C ATOM 479 H PHE A 676 25.562 1.873 -2.235 1.00 0.00 H ATOM 480 N THR A 677 27.159 -0.952 -1.560 1.00 42.67 N ATOM 481 CA THR A 677 27.776 -2.252 -1.787 1.00 44.49 C ATOM 482 C THR A 677 29.062 -2.115 -2.593 1.00 43.14 C ATOM 483 O THR A 677 30.055 -2.795 -2.311 1.00 40.53 O ATOM 484 CB THR A 677 26.776 -3.179 -2.482 1.00 43.32 C ATOM 485 OG1 THR A 677 25.653 -3.392 -1.609 1.00 43.38 O ATOM 486 CG2 THR A 677 27.413 -4.535 -2.789 1.00 44.34 C ATOM 487 HG1 THR A 677 25.222 -2.523 -1.410 1.00 0.00 H ATOM 488 H THR A 677 26.194 -0.774 -1.904 1.00 0.00 H ATOM 489 N MET A 678 29.078 -1.218 -3.583 1.00 37.75 N ATOM 490 CA MET A 678 30.286 -1.034 -4.381 1.00 36.10 C ATOM 491 C MET A 678 31.438 -0.524 -3.527 1.00 40.12 C ATOM 492 O MET A 678 32.586 -0.951 -3.703 1.00 38.86 O ATOM 493 CB MET A 678 30.014 -0.071 -5.538 1.00 31.56 C ATOM 494 CG MET A 678 29.215 -0.649 -6.688 1.00 29.84 C ATOM 495 SD MET A 678 29.321 0.390 -8.166 1.00 32.05 S ATOM 496 CE MET A 678 31.049 0.144 -8.617 1.00 34.78 C ATOM 497 H MET A 678 28.230 -0.651 -3.785 1.00 0.00 H ATOM 498 N LYS A 679 31.155 0.392 -2.598 1.00 37.42 N ATOM 499 CA LYS A 679 32.195 0.867 -1.692 1.00 42.48 C ATOM 500 C LYS A 679 32.715 -0.267 -0.813 1.00 43.82 C ATOM 501 O LYS A 679 33.924 -0.365 -0.564 1.00 46.97 O ATOM 502 CB LYS A 679 31.659 2.024 -0.845 1.00 43.63 C ATOM 503 CG LYS A 679 32.612 2.525 0.231 1.00 49.70 C ATOM 504 CD LYS A 679 33.840 3.214 -0.348 1.00 51.54 C ATOM 505 CE LYS A 679 34.678 3.850 0.760 1.00 64.35 C ATOM 506 NZ LYS A 679 35.809 4.663 0.231 1.00 67.97 N ATOM 507 HZ1 LYS A 679 36.436 4.056 -0.335 1.00 0.00 H ATOM 508 HZ2 LYS A 679 35.435 5.428 -0.365 1.00 0.00 H ATOM 509 HZ3 LYS A 679 36.343 5.070 1.025 1.00 0.00 H ATOM 510 H LYS A 679 30.189 0.769 -2.520 1.00 0.00 H ATOM 511 N GLN A 680 31.820 -1.142 -0.343 1.00 42.35 N ATOM 512 CA GLN A 680 32.264 -2.272 0.469 1.00 45.72 C ATOM 513 C GLN A 680 33.112 -3.238 -0.350 1.00 47.52 C ATOM 514 O GLN A 680 34.115 -3.767 0.146 1.00 47.97 O ATOM 515 CB GLN A 680 31.065 -3.002 1.079 1.00 48.69 C ATOM 516 CG GLN A 680 30.015 -2.103 1.724 1.00 49.43 C ATOM 517 CD GLN A 680 30.607 -0.991 2.572 1.00 52.35 C ATOM 518 OE1 GLN A 680 30.297 0.186 2.372 1.00 54.45 O ATOM 519 NE2 GLN A 680 31.449 -1.357 3.528 1.00 53.56 N ATOM 520 HE22 GLN A 680 31.681 -2.362 3.660 1.00 0.00 H ATOM 521 HE21 GLN A 680 31.878 -0.639 4.146 1.00 0.00 H ATOM 522 H GLN A 680 30.809 -1.018 -0.555 1.00 0.00 H ATOM 523 N ASN A 681 32.723 -3.482 -1.604 1.00 45.79 N ATOM 524 CA ASN A 681 33.520 -4.342 -2.472 1.00 44.67 C ATOM 525 C ASN A 681 34.873 -3.713 -2.773 1.00 45.75 C ATOM 526 O ASN A 681 35.898 -4.403 -2.783 1.00 46.57 O ATOM 527 CB ASN A 681 32.755 -4.625 -3.763 1.00 39.91 C ATOM 528 CG ASN A 681 31.517 -5.461 -3.533 1.00 42.70 C ATOM 529 OD1 ASN A 681 31.378 -6.106 -2.493 1.00 48.33 O ATOM 530 ND2 ASN A 681 30.629 -5.489 -4.516 1.00 41.84 N ATOM 531 HD22 ASN A 681 30.788 -4.927 -5.377 1.00 0.00 H ATOM 532 HD21 ASN A 681 29.773 -6.072 -4.427 1.00 0.00 H ATOM 533 H ASN A 681 31.845 -3.056 -1.964 1.00 0.00 H ATOM 534 N LEU A 682 34.895 -2.402 -3.020 1.00 40.39 N ATOM 535 CA LEU A 682 36.152 -1.704 -3.266 1.00 40.52 C ATOM 536 C LEU A 682 37.136 -1.931 -2.118 1.00 51.76 C ATOM 537 O LEU A 682 38.285 -2.336 -2.339 1.00 49.66 O ATOM 538 CB LEU A 682 35.876 -0.208 -3.480 1.00 40.83 C ATOM 539 CG LEU A 682 36.978 0.722 -4.010 1.00 40.73 C ATOM 540 CD1 LEU A 682 36.359 2.028 -4.502 1.00 42.41 C ATOM 541 CD2 LEU A 682 38.023 1.040 -2.973 1.00 44.27 C ATOM 542 H LEU A 682 34.002 -1.869 -3.037 1.00 0.00 H ATOM 543 N GLU A 683 36.694 -1.689 -0.879 1.00 48.34 N ATOM 544 CA GLU A 683 37.576 -1.826 0.274 1.00 53.72 C ATOM 545 C GLU A 683 37.851 -3.275 0.644 1.00 57.16 C ATOM 546 O GLU A 683 38.805 -3.542 1.389 1.00 53.73 O ATOM 547 CB GLU A 683 36.991 -1.086 1.478 1.00 57.29 C ATOM 548 CG GLU A 683 36.657 0.371 1.221 1.00 56.39 C ATOM 549 CD GLU A 683 37.860 1.223 0.822 1.00 60.15 C ATOM 550 OE1 GLU A 683 39.018 0.772 0.963 1.00 60.12 O ATOM 551 OE2 GLU A 683 37.646 2.365 0.369 1.00 56.59 O ATOM 552 H GLU A 683 35.706 -1.399 -0.736 1.00 0.00 H ATOM 553 N ALA A 684 37.042 -4.213 0.160 1.00 56.37 N ATOM 554 CA ALA A 684 37.348 -5.630 0.304 1.00 58.87 C ATOM 555 C ALA A 684 38.289 -6.131 -0.779 1.00 59.69 C ATOM 556 O ALA A 684 38.452 -7.347 -0.923 1.00 64.27 O ATOM 557 CB ALA A 684 36.061 -6.456 0.290 1.00 52.92 C ATOM 558 H ALA A 684 36.171 -3.929 -0.332 1.00 0.00 H ATOM 559 N TYR A 685 38.895 -5.222 -1.542 1.00 55.39 N ATOM 560 CA TYR A 685 39.809 -5.565 -2.628 1.00 50.62 C ATOM 561 C TYR A 685 39.135 -6.418 -3.697 1.00 54.28 C ATOM 562 O TYR A 685 39.785 -7.234 -4.354 1.00 62.77 O ATOM 563 CB TYR A 685 41.061 -6.265 -2.092 1.00 51.15 C ATOM 564 CG TYR A 685 41.808 -5.419 -1.098 1.00 56.67 C ATOM 565 CD1 TYR A 685 42.579 -4.349 -1.521 1.00 55.21 C ATOM 566 CD2 TYR A 685 41.742 -5.685 0.266 1.00 66.78 C ATOM 567 CE1 TYR A 685 43.264 -3.563 -0.621 1.00 65.12 C ATOM 568 CE2 TYR A 685 42.428 -4.900 1.178 1.00 68.57 C ATOM 569 CZ TYR A 685 43.187 -3.838 0.723 1.00 71.21 C ATOM 570 OH TYR A 685 43.877 -3.042 1.606 1.00 79.37 O ATOM 571 HH TYR A 685 44.361 -2.338 1.105 1.00 0.00 H ATOM 572 H TYR A 685 38.707 -4.216 -1.354 1.00 0.00 H ATOM 573 N ARG A 686 37.832 -6.241 -3.899 1.00 51.42 N ATOM 574 CA ARG A 686 37.139 -7.032 -4.905 1.00 38.19 C ATOM 575 C ARG A 686 37.188 -6.416 -6.293 1.00 47.63 C ATOM 576 O ARG A 686 36.754 -7.057 -7.257 1.00 48.25 O ATOM 577 CB ARG A 686 35.695 -7.289 -4.472 1.00 46.98 C ATOM 578 CG ARG A 686 35.621 -7.946 -3.103 1.00 60.22 C ATOM 579 CD ARG A 686 34.391 -8.821 -2.945 1.00 70.31 C ATOM 580 NE ARG A 686 34.366 -9.456 -1.631 1.00 80.24 N ATOM 581 CZ ARG A 686 33.783 -8.933 -0.557 1.00 85.32 C ATOM 582 NH1 ARG A 686 33.164 -7.760 -0.639 1.00 84.71 N ATOM 583 NH2 ARG A 686 33.814 -9.584 0.599 1.00 91.12 N ATOM 584 HE ARG A 686 34.835 -10.378 -1.528 1.00 0.00 H ATOM 585 HH12 ARG A 686 32.708 -7.352 0.202 1.00 0.00 H ATOM 586 HH11 ARG A 686 33.135 -7.249 -1.545 1.00 0.00 H ATOM 587 HH22 ARG A 686 33.358 -9.174 1.439 1.00 0.00 H ATOM 588 HH21 ARG A 686 34.295 -10.504 0.665 1.00 0.00 H ATOM 589 H ARG A 686 37.309 -5.538 -3.339 1.00 0.00 H ATOM 590 N TYR A 687 37.705 -5.197 -6.424 1.00 43.62 N ATOM 591 CA TYR A 687 37.894 -4.543 -7.717 1.00 36.96 C ATOM 592 C TYR A 687 39.392 -4.355 -7.918 1.00 42.65 C ATOM 593 O TYR A 687 39.983 -3.407 -7.398 1.00 40.50 O ATOM 594 CB TYR A 687 37.180 -3.195 -7.768 1.00 32.51 C ATOM 595 CG TYR A 687 35.693 -3.252 -7.543 1.00 34.56 C ATOM 596 CD1 TYR A 687 34.911 -4.215 -8.148 1.00 35.60 C ATOM 597 CD2 TYR A 687 35.067 -2.310 -6.726 1.00 37.35 C ATOM 598 CE1 TYR A 687 33.539 -4.255 -7.936 1.00 35.17 C ATOM 599 CE2 TYR A 687 33.718 -2.356 -6.499 1.00 34.00 C ATOM 600 CZ TYR A 687 32.958 -3.328 -7.100 1.00 33.68 C ATOM 601 OH TYR A 687 31.603 -3.379 -6.882 1.00 35.00 O ATOM 602 HH TYR A 687 31.217 -4.136 -7.389 1.00 0.00 H ATOM 603 H TYR A 687 37.988 -4.685 -5.564 1.00 0.00 H ATOM 604 N LEU A 688 40.022 -5.272 -8.636 1.00 38.10 N ATOM 605 CA LEU A 688 41.450 -5.186 -8.897 1.00 43.23 C ATOM 606 C LEU A 688 41.743 -4.769 -10.328 1.00 42.78 C ATOM 607 O LEU A 688 42.910 -4.737 -10.732 1.00 45.75 O ATOM 608 CB LEU A 688 42.114 -6.526 -8.585 1.00 38.63 C ATOM 609 CG LEU A 688 41.927 -6.984 -7.135 1.00 40.19 C ATOM 610 CD1 LEU A 688 42.568 -8.340 -6.909 1.00 42.88 C ATOM 611 CD2 LEU A 688 42.519 -5.960 -6.177 1.00 45.23 C ATOM 612 H LEU A 688 39.483 -6.073 -9.022 1.00 0.00 H ATOM 613 N ASN A 689 40.705 -4.501 -11.113 1.00 38.15 N ATOM 614 CA ASN A 689 40.853 -3.965 -12.452 1.00 38.52 C ATOM 615 C ASN A 689 39.641 -3.099 -12.740 1.00 37.21 C ATOM 616 O ASN A 689 38.624 -3.150 -12.039 1.00 34.66 O ATOM 617 CB ASN A 689 41.015 -5.072 -13.513 1.00 37.64 C ATOM 618 CG ASN A 689 39.892 -6.093 -13.484 1.00 34.62 C ATOM 619 OD1 ASN A 689 38.753 -5.777 -13.837 1.00 40.60 O ATOM 620 ND2 ASN A 689 40.219 -7.335 -13.119 1.00 42.10 N ATOM 621 HD22 ASN A 689 41.194 -7.552 -12.829 1.00 0.00 H ATOM 622 HD21 ASN A 689 39.499 -8.085 -13.125 1.00 0.00 H ATOM 623 H ASN A 689 39.747 -4.683 -10.752 1.00 0.00 H ATOM 624 N PHE A 690 39.759 -2.283 -13.776 1.00 33.27 N ATOM 625 CA PHE A 690 38.704 -1.323 -14.018 1.00 31.46 C ATOM 626 C PHE A 690 37.416 -2.001 -14.456 1.00 33.24 C ATOM 627 O PHE A 690 36.326 -1.523 -14.125 1.00 34.59 O ATOM 628 CB PHE A 690 39.151 -0.296 -15.053 1.00 41.61 C ATOM 629 CG PHE A 690 38.389 0.975 -14.977 1.00 38.35 C ATOM 630 CD1 PHE A 690 37.300 1.197 -15.812 1.00 40.94 C ATOM 631 CD2 PHE A 690 38.724 1.934 -14.039 1.00 34.21 C ATOM 632 CE1 PHE A 690 36.577 2.371 -15.729 1.00 40.70 C ATOM 633 CE2 PHE A 690 38.001 3.114 -13.953 1.00 38.42 C ATOM 634 CZ PHE A 690 36.925 3.323 -14.797 1.00 39.15 C ATOM 635 H PHE A 690 40.589 -2.331 -14.400 1.00 0.00 H ATOM 636 N ASP A 691 37.516 -3.123 -15.167 1.00 32.39 N ATOM 637 CA ASP A 691 36.317 -3.711 -15.738 1.00 30.66 C ATOM 638 C ASP A 691 35.413 -4.310 -14.673 1.00 34.17 C ATOM 639 O ASP A 691 34.183 -4.237 -14.802 1.00 31.96 O ATOM 640 CB ASP A 691 36.694 -4.742 -16.789 1.00 35.81 C ATOM 641 CG ASP A 691 37.128 -4.105 -18.076 1.00 45.45 C ATOM 642 OD1 ASP A 691 38.338 -4.094 -18.351 1.00 58.75 O ATOM 643 OD2 ASP A 691 36.249 -3.600 -18.801 1.00 53.77 O ATOM 644 H ASP A 691 38.442 -3.573 -15.312 1.00 0.00 H ATOM 645 N ASP A 692 35.982 -4.876 -13.609 1.00 30.63 N ATOM 646 CA ASP A 692 35.134 -5.423 -12.556 1.00 36.65 C ATOM 647 C ASP A 692 34.376 -4.318 -11.838 1.00 32.93 C ATOM 648 O ASP A 692 33.228 -4.514 -11.430 1.00 33.19 O ATOM 649 CB ASP A 692 35.959 -6.223 -11.567 1.00 36.00 C ATOM 650 CG ASP A 692 36.388 -7.552 -12.129 1.00 35.68 C ATOM 651 OD1 ASP A 692 35.820 -7.990 -13.161 1.00 37.80 O ATOM 652 OD2 ASP A 692 37.286 -8.162 -11.529 1.00 38.36 O ATOM 653 H ASP A 692 37.018 -4.927 -13.531 1.00 0.00 H ATOM 654 N PHE A 693 35.022 -3.162 -11.658 1.00 29.95 N ATOM 655 CA PHE A 693 34.378 -2.004 -11.052 1.00 31.37 C ATOM 656 C PHE A 693 33.256 -1.507 -11.945 1.00 30.46 C ATOM 657 O PHE A 693 32.113 -1.337 -11.499 1.00 28.37 O ATOM 658 CB PHE A 693 35.444 -0.922 -10.827 1.00 31.44 C ATOM 659 CG PHE A 693 34.911 0.420 -10.373 1.00 27.95 C ATOM 660 CD1 PHE A 693 34.721 0.661 -9.020 1.00 32.93 C ATOM 661 CD2 PHE A 693 34.678 1.438 -11.280 1.00 29.40 C ATOM 662 CE1 PHE A 693 34.272 1.885 -8.576 1.00 34.50 C ATOM 663 CE2 PHE A 693 34.207 2.689 -10.830 1.00 30.09 C ATOM 664 CZ PHE A 693 34.006 2.890 -9.486 1.00 29.14 C ATOM 665 H PHE A 693 36.014 -3.087 -11.960 1.00 0.00 H ATOM 666 N GLU A 694 33.561 -1.330 -13.233 1.00 28.97 N ATOM 667 CA GLU A 694 32.573 -0.853 -14.199 1.00 29.70 C ATOM 668 C GLU A 694 31.413 -1.834 -14.355 1.00 31.51 C ATOM 669 O GLU A 694 30.259 -1.418 -14.546 1.00 30.56 O ATOM 670 CB GLU A 694 33.270 -0.597 -15.536 1.00 28.73 C ATOM 671 CG GLU A 694 32.376 -0.051 -16.637 1.00 34.96 C ATOM 672 CD GLU A 694 33.185 0.408 -17.837 1.00 46.53 C ATOM 673 OE1 GLU A 694 33.949 1.381 -17.696 1.00 45.54 O ATOM 674 OE2 GLU A 694 33.085 -0.222 -18.908 1.00 60.13 O ATOM 675 H GLU A 694 34.527 -1.537 -13.557 1.00 0.00 H ATOM 676 N GLU A 695 31.697 -3.135 -14.268 1.00 30.35 N ATOM 677 CA GLU A 695 30.638 -4.136 -14.356 1.00 32.12 C ATOM 678 C GLU A 695 29.577 -3.919 -13.277 1.00 37.87 C ATOM 679 O GLU A 695 28.368 -3.995 -13.552 1.00 31.01 O ATOM 680 CB GLU A 695 31.249 -5.529 -14.241 1.00 31.49 C ATOM 681 CG GLU A 695 30.889 -6.457 -15.342 1.00 41.35 C ATOM 682 CD GLU A 695 31.640 -7.760 -15.201 1.00 49.59 C ATOM 683 OE1 GLU A 695 31.364 -8.476 -14.214 1.00 48.88 O ATOM 684 OE2 GLU A 695 32.525 -8.032 -16.041 1.00 61.69 O ATOM 685 H GLU A 695 32.683 -3.439 -14.136 1.00 0.00 H ATOM 686 N ASP A 696 30.005 -3.646 -12.043 1.00 30.64 N ATOM 687 CA ASP A 696 29.026 -3.468 -10.970 1.00 31.15 C ATOM 688 C ASP A 696 28.270 -2.162 -11.119 1.00 31.08 C ATOM 689 O ASP A 696 27.070 -2.102 -10.821 1.00 30.49 O ATOM 690 CB ASP A 696 29.700 -3.547 -9.601 1.00 33.03 C ATOM 691 CG ASP A 696 29.786 -4.980 -9.076 1.00 38.16 C ATOM 692 OD1 ASP A 696 29.136 -5.891 -9.641 1.00 37.43 O ATOM 693 OD2 ASP A 696 30.500 -5.186 -8.086 1.00 36.27 O ATOM 694 H ASP A 696 31.023 -3.561 -11.846 1.00 0.00 H ATOM 695 N PHE A 697 28.945 -1.101 -11.561 1.00 27.94 N ATOM 696 CA PHE A 697 28.216 0.120 -11.889 1.00 28.17 C ATOM 697 C PHE A 697 27.155 -0.159 -12.944 1.00 29.38 C ATOM 698 O PHE A 697 26.010 0.290 -12.826 1.00 27.49 O ATOM 699 CB PHE A 697 29.157 1.209 -12.385 1.00 26.98 C ATOM 700 CG PHE A 697 28.422 2.399 -12.936 1.00 25.51 C ATOM 701 CD1 PHE A 697 27.816 3.316 -12.075 1.00 29.68 C ATOM 702 CD2 PHE A 697 28.309 2.586 -14.309 1.00 25.08 C ATOM 703 CE1 PHE A 697 27.112 4.411 -12.578 1.00 29.51 C ATOM 704 CE2 PHE A 697 27.596 3.688 -14.821 1.00 27.12 C ATOM 705 CZ PHE A 697 27.016 4.597 -13.948 1.00 28.21 C ATOM 706 H PHE A 697 29.978 -1.143 -11.671 1.00 0.00 H ATOM 707 N ASN A 698 27.521 -0.890 -13.997 1.00 26.56 N ATOM 708 CA ASN A 698 26.543 -1.193 -15.037 1.00 25.93 C ATOM 709 C ASN A 698 25.355 -1.976 -14.495 1.00 28.37 C ATOM 710 O ASN A 698 24.241 -1.845 -15.027 1.00 29.07 O ATOM 711 CB ASN A 698 27.213 -1.979 -16.175 1.00 27.90 C ATOM 712 CG ASN A 698 28.129 -1.105 -17.020 1.00 26.24 C ATOM 713 OD1 ASN A 698 28.004 0.120 -17.027 1.00 28.99 O ATOM 714 ND2 ASN A 698 29.050 -1.738 -17.753 1.00 31.36 N ATOM 715 HD22 ASN A 698 29.121 -2.775 -17.717 1.00 0.00 H ATOM 716 HD21 ASN A 698 29.696 -1.194 -18.360 1.00 0.00 H ATOM 717 H ASN A 698 28.496 -1.242 -14.077 1.00 0.00 H ATOM 718 N LEU A 699 25.575 -2.804 -13.464 1.00 28.09 N ATOM 719 CA LEU A 699 24.479 -3.550 -12.845 1.00 27.68 C ATOM 720 C LEU A 699 23.500 -2.612 -12.154 1.00 27.79 C ATOM 721 O LEU A 699 22.287 -2.851 -12.182 1.00 31.64 O ATOM 722 CB LEU A 699 25.010 -4.557 -11.832 1.00 34.38 C ATOM 723 CG LEU A 699 25.281 -5.953 -12.335 1.00 39.42 C ATOM 724 CD1 LEU A 699 25.774 -6.760 -11.145 1.00 37.29 C ATOM 725 CD2 LEU A 699 24.007 -6.547 -12.926 1.00 38.99 C ATOM 726 H LEU A 699 26.542 -2.918 -13.098 1.00 0.00 H ATOM 727 N ILE A 700 24.013 -1.578 -11.476 1.00 27.98 N ATOM 728 CA ILE A 700 23.132 -0.570 -10.890 1.00 29.52 C ATOM 729 C ILE A 700 22.168 -0.062 -11.945 1.00 27.87 C ATOM 730 O ILE A 700 20.946 -0.018 -11.742 1.00 31.54 O ATOM 731 CB ILE A 700 23.954 0.585 -10.295 1.00 25.23 C ATOM 732 CG1 ILE A 700 24.796 0.086 -9.120 1.00 27.62 C ATOM 733 CG2 ILE A 700 23.017 1.716 -9.837 1.00 28.81 C ATOM 734 CD1 ILE A 700 25.635 1.175 -8.489 1.00 32.18 C ATOM 735 H ILE A 700 25.044 -1.492 -11.366 1.00 0.00 H ATOM 736 N VAL A 701 22.717 0.318 -13.099 1.00 24.85 N ATOM 737 CA VAL A 701 21.913 0.844 -14.193 1.00 25.64 C ATOM 738 C VAL A 701 20.984 -0.230 -14.749 1.00 27.52 C ATOM 739 O VAL A 701 19.772 -0.022 -14.865 1.00 27.61 O ATOM 740 CB VAL A 701 22.839 1.398 -15.287 1.00 25.59 C ATOM 741 CG1 VAL A 701 22.049 1.756 -16.528 1.00 29.33 C ATOM 742 CG2 VAL A 701 23.592 2.611 -14.768 1.00 24.93 C ATOM 743 H VAL A 701 23.747 0.237 -13.221 1.00 0.00 H ATOM 744 N SER A 702 21.538 -1.398 -15.102 1.00 26.56 N ATOM 745 CA SER A 702 20.741 -2.386 -15.823 1.00 27.95 C ATOM 746 C SER A 702 19.636 -2.972 -14.947 1.00 29.59 C ATOM 747 O SER A 702 18.531 -3.230 -15.439 1.00 29.30 O ATOM 748 CB SER A 702 21.643 -3.483 -16.401 1.00 28.40 C ATOM 749 OG SER A 702 22.319 -4.226 -15.404 1.00 27.06 O ATOM 750 HG SER A 702 22.883 -4.916 -15.834 1.00 0.00 H ATOM 751 H SER A 702 22.530 -1.599 -14.864 1.00 0.00 H ATOM 752 N ASN A 703 19.899 -3.175 -13.651 1.00 27.11 N ATOM 753 CA ASN A 703 18.841 -3.663 -12.763 1.00 31.19 C ATOM 754 C ASN A 703 17.669 -2.700 -12.732 1.00 32.45 C ATOM 755 O ASN A 703 16.507 -3.118 -12.707 1.00 33.60 O ATOM 756 CB ASN A 703 19.366 -3.847 -11.344 1.00 31.65 C ATOM 757 CG ASN A 703 20.273 -5.045 -11.204 1.00 33.59 C ATOM 758 OD1 ASN A 703 20.309 -5.923 -12.065 1.00 40.64 O ATOM 759 ND2 ASN A 703 21.000 -5.095 -10.097 1.00 35.00 N ATOM 760 HD22 ASN A 703 20.936 -4.328 -9.398 1.00 0.00 H ATOM 761 HD21 ASN A 703 21.635 -5.901 -9.928 1.00 0.00 H ATOM 762 H ASN A 703 20.851 -2.987 -13.276 1.00 0.00 H ATOM 763 N CYS A 704 17.964 -1.400 -12.702 1.00 31.32 N ATOM 764 CA CYS A 704 16.919 -0.385 -12.610 1.00 29.85 C ATOM 765 C CYS A 704 16.091 -0.325 -13.890 1.00 31.82 C ATOM 766 O CYS A 704 14.857 -0.208 -13.838 1.00 32.75 O ATOM 767 CB CYS A 704 17.566 0.965 -12.315 1.00 26.40 C ATOM 768 SG CYS A 704 16.387 2.244 -11.932 1.00 32.33 S ATOM 769 H CYS A 704 18.960 -1.103 -12.745 1.00 0.00 H ATOM 770 N LEU A 705 16.756 -0.380 -15.048 1.00 29.77 N ATOM 771 CA LEU A 705 16.040 -0.432 -16.320 1.00 26.25 C ATOM 772 C LEU A 705 15.162 -1.671 -16.399 1.00 26.33 C ATOM 773 O LEU A 705 14.047 -1.626 -16.934 1.00 31.35 O ATOM 774 CB LEU A 705 17.033 -0.416 -17.485 1.00 25.93 C ATOM 775 CG LEU A 705 17.926 0.816 -17.599 1.00 25.15 C ATOM 776 CD1 LEU A 705 18.836 0.647 -18.808 1.00 27.00 C ATOM 777 CD2 LEU A 705 17.085 2.064 -17.736 1.00 29.39 C ATOM 778 H LEU A 705 17.796 -0.386 -15.043 1.00 0.00 H ATOM 779 N LYS A 706 15.654 -2.792 -15.873 1.00 30.06 N ATOM 780 CA LYS A 706 14.907 -4.041 -15.964 1.00 30.81 C ATOM 781 C LYS A 706 13.674 -4.015 -15.074 1.00 33.11 C ATOM 782 O LYS A 706 12.576 -4.377 -15.514 1.00 36.10 O ATOM 783 CB LYS A 706 15.802 -5.217 -15.589 1.00 28.72 C ATOM 784 CG LYS A 706 15.095 -6.570 -15.596 1.00 36.39 C ATOM 785 CD LYS A 706 16.120 -7.704 -15.612 1.00 45.79 C ATOM 786 CE LYS A 706 17.089 -7.540 -16.781 1.00 56.67 C ATOM 787 H LYS A 706 16.577 -2.776 -15.394 1.00 0.00 H ATOM 788 N TYR A 707 13.833 -3.592 -13.819 1.00 34.57 N ATOM 789 CA TYR A 707 12.733 -3.716 -12.865 1.00 36.99 C ATOM 790 C TYR A 707 11.606 -2.729 -13.142 1.00 38.42 C ATOM 791 O TYR A 707 10.428 -3.067 -12.969 1.00 40.51 O ATOM 792 CB TYR A 707 13.234 -3.533 -11.436 1.00 41.39 C ATOM 793 CG TYR A 707 12.113 -3.739 -10.456 1.00 45.28 C ATOM 794 CD1 TYR A 707 11.654 -5.017 -10.165 1.00 42.91 C ATOM 795 CD2 TYR A 707 11.477 -2.659 -9.864 1.00 48.61 C ATOM 796 CE1 TYR A 707 10.606 -5.212 -9.290 1.00 47.11 C ATOM 797 CE2 TYR A 707 10.428 -2.844 -8.986 1.00 51.29 C ATOM 798 CZ TYR A 707 9.997 -4.120 -8.703 1.00 50.72 C ATOM 799 OH TYR A 707 8.951 -4.308 -7.832 1.00 53.53 O ATOM 800 HH TYR A 707 8.770 -5.277 -7.740 1.00 0.00 H ATOM 801 H TYR A 707 14.738 -3.175 -13.520 1.00 0.00 H ATOM 802 N ASN A 708 11.939 -1.511 -13.558 1.00 36.00 N ATOM 803 CA ASN A 708 11.006 -0.393 -13.561 1.00 34.68 C ATOM 804 C ASN A 708 10.477 -0.115 -14.957 1.00 30.36 C ATOM 805 O ASN A 708 11.208 -0.236 -15.949 1.00 32.64 O ATOM 806 CB ASN A 708 11.686 0.852 -13.010 1.00 34.62 C ATOM 807 CG ASN A 708 12.115 0.679 -11.574 1.00 37.17 C ATOM 808 OD1 ASN A 708 11.283 0.672 -10.671 1.00 41.40 O ATOM 809 ND2 ASN A 708 13.412 0.534 -11.353 1.00 37.52 N ATOM 810 HD22 ASN A 708 14.080 0.547 -12.150 1.00 0.00 H ATOM 811 HD21 ASN A 708 13.763 0.408 -10.382 1.00 0.00 H ATOM 812 H ASN A 708 12.909 -1.349 -13.896 1.00 0.00 H ATOM 813 N ALA A 709 9.200 0.260 -15.027 1.00 37.07 N ATOM 814 CA ALA A 709 8.601 0.597 -16.306 1.00 35.25 C ATOM 815 C ALA A 709 9.267 1.836 -16.888 1.00 33.33 C ATOM 816 O ALA A 709 9.822 2.674 -16.165 1.00 33.46 O ATOM 817 CB ALA A 709 7.101 0.829 -16.150 1.00 34.05 C ATOM 818 H ALA A 709 8.629 0.312 -14.160 1.00 0.00 H ATOM 819 N LYS A 710 9.179 1.963 -18.216 1.00 32.92 N ATOM 820 CA LYS A 710 9.895 3.030 -18.908 1.00 37.10 C ATOM 821 C LYS A 710 9.391 4.406 -18.507 1.00 39.81 C ATOM 822 O LYS A 710 10.164 5.372 -18.517 1.00 40.70 O ATOM 823 CB LYS A 710 9.786 2.862 -20.423 1.00 38.64 C ATOM 824 CG LYS A 710 10.569 1.690 -20.973 1.00 36.23 C ATOM 825 CD LYS A 710 10.522 1.637 -22.499 1.00 41.82 C ATOM 826 CE LYS A 710 11.570 2.550 -23.119 1.00 37.54 C ATOM 827 NZ LYS A 710 11.462 2.629 -24.593 1.00 35.80 N ATOM 828 HZ1 LYS A 710 11.586 1.680 -25.000 1.00 0.00 H ATOM 829 HZ2 LYS A 710 10.525 2.999 -24.851 1.00 0.00 H ATOM 830 HZ3 LYS A 710 12.200 3.264 -24.960 1.00 0.00 H ATOM 831 H LYS A 710 8.596 1.296 -18.760 1.00 0.00 H ATOM 832 N ASP A 711 8.113 4.525 -18.145 1.00 35.30 N ATOM 833 CA ASP A 711 7.521 5.826 -17.871 1.00 39.56 C ATOM 834 C ASP A 711 7.717 6.283 -16.426 1.00 42.10 C ATOM 835 O ASP A 711 7.028 7.205 -15.985 1.00 44.87 O ATOM 836 CB ASP A 711 6.031 5.826 -18.235 1.00 47.73 C ATOM 837 CG ASP A 711 5.182 4.906 -17.350 1.00 52.02 C ATOM 838 OD1 ASP A 711 5.695 4.295 -16.392 1.00 48.13 O ATOM 839 OD2 ASP A 711 3.960 4.814 -17.610 1.00 58.54 O ATOM 840 H ASP A 711 7.527 3.670 -18.057 1.00 0.00 H ATOM 841 N THR A 712 8.631 5.665 -15.689 1.00 40.95 N ATOM 842 CA THR A 712 8.855 6.001 -14.291 1.00 39.01 C ATOM 843 C THR A 712 10.061 6.913 -14.138 1.00 41.34 C ATOM 844 O THR A 712 10.960 6.952 -14.987 1.00 36.36 O ATOM 845 CB THR A 712 9.073 4.746 -13.439 1.00 37.12 C ATOM 846 OG1 THR A 712 10.268 4.056 -13.866 1.00 36.32 O ATOM 847 CG2 THR A 712 7.870 3.815 -13.542 1.00 40.57 C ATOM 848 HG1 THR A 712 10.174 3.792 -14.815 1.00 0.00 H ATOM 849 H THR A 712 9.206 4.916 -16.125 1.00 0.00 H ATOM 850 N ILE A 713 10.070 7.644 -13.019 1.00 38.84 N ATOM 851 CA ILE A 713 11.249 8.416 -12.639 1.00 36.37 C ATOM 852 C ILE A 713 12.473 7.509 -12.497 1.00 38.18 C ATOM 853 O ILE A 713 13.565 7.853 -12.963 1.00 35.15 O ATOM 854 CB ILE A 713 10.970 9.207 -11.343 1.00 41.22 C ATOM 855 CG1 ILE A 713 9.853 10.227 -11.571 1.00 52.29 C ATOM 856 CG2 ILE A 713 12.259 9.851 -10.844 1.00 41.58 C ATOM 857 CD1 ILE A 713 10.308 11.489 -12.236 1.00 57.33 C ATOM 858 H ILE A 713 9.226 7.663 -12.411 1.00 0.00 H ATOM 859 N PHE A 714 12.309 6.330 -11.870 1.00 34.14 N ATOM 860 CA PHE A 714 13.429 5.406 -11.680 1.00 32.91 C ATOM 861 C PHE A 714 14.091 5.061 -13.003 1.00 34.26 C ATOM 862 O PHE A 714 15.323 5.084 -13.124 1.00 30.32 O ATOM 863 CB PHE A 714 12.954 4.118 -11.004 1.00 35.29 C ATOM 864 CG PHE A 714 12.692 4.252 -9.536 1.00 52.13 C ATOM 865 CD1 PHE A 714 13.613 4.863 -8.707 1.00 60.22 C ATOM 866 CD2 PHE A 714 11.524 3.759 -8.983 1.00 59.22 C ATOM 867 CE1 PHE A 714 13.378 4.982 -7.356 1.00 65.80 C ATOM 868 CE2 PHE A 714 11.281 3.876 -7.632 1.00 65.01 C ATOM 869 CZ PHE A 714 12.210 4.488 -6.817 1.00 67.30 C ATOM 870 H PHE A 714 11.368 6.070 -11.513 1.00 0.00 H ATOM 871 N TYR A 715 13.289 4.687 -14.001 1.00 34.23 N ATOM 872 CA TYR A 715 13.873 4.263 -15.265 1.00 31.43 C ATOM 873 C TYR A 715 14.646 5.408 -15.909 1.00 27.94 C ATOM 874 O TYR A 715 15.793 5.237 -16.334 1.00 27.78 O ATOM 875 CB TYR A 715 12.772 3.736 -16.186 1.00 28.80 C ATOM 876 CG TYR A 715 13.273 3.123 -17.467 1.00 29.85 C ATOM 877 CD1 TYR A 715 13.609 3.916 -18.554 1.00 29.50 C ATOM 878 CD2 TYR A 715 13.355 1.741 -17.607 1.00 28.00 C ATOM 879 CE1 TYR A 715 14.039 3.365 -19.731 1.00 27.46 C ATOM 880 CE2 TYR A 715 13.807 1.173 -18.781 1.00 25.85 C ATOM 881 CZ TYR A 715 14.133 1.985 -19.841 1.00 24.56 C ATOM 882 OH TYR A 715 14.559 1.423 -21.011 1.00 27.41 O ATOM 883 HH TYR A 715 14.752 2.138 -21.668 1.00 0.00 H ATOM 884 H TYR A 715 12.256 4.698 -13.877 1.00 0.00 H ATOM 885 N ARG A 716 14.061 6.612 -15.919 1.00 29.50 N ATOM 886 CA ARG A 716 14.754 7.747 -16.522 1.00 28.95 C ATOM 887 C ARG A 716 16.011 8.120 -15.740 1.00 30.66 C ATOM 888 O ARG A 716 17.003 8.545 -16.340 1.00 30.28 O ATOM 889 CB ARG A 716 13.819 8.948 -16.614 1.00 32.61 C ATOM 890 CG ARG A 716 14.366 10.054 -17.516 1.00 46.34 C ATOM 891 CD ARG A 716 14.330 9.634 -18.995 1.00 51.61 C ATOM 892 NE ARG A 716 15.393 10.281 -19.762 1.00 66.67 N ATOM 893 CZ ARG A 716 15.570 10.144 -21.073 1.00 78.60 C ATOM 894 NH1 ARG A 716 14.749 9.379 -21.780 1.00 85.89 N ATOM 895 NH2 ARG A 716 16.570 10.775 -21.676 1.00 80.56 N ATOM 896 HE ARG A 716 16.058 10.892 -19.246 1.00 0.00 H ATOM 897 HH12 ARG A 716 14.890 9.274 -22.805 1.00 0.00 H ATOM 898 HH11 ARG A 716 13.964 8.884 -21.309 1.00 0.00 H ATOM 899 HH22 ARG A 716 16.709 10.669 -22.701 1.00 0.00 H ATOM 900 HH21 ARG A 716 17.214 11.376 -21.123 1.00 0.00 H ATOM 901 H ARG A 716 13.118 6.738 -15.499 1.00 0.00 H ATOM 902 N ALA A 717 15.994 7.948 -14.416 1.00 30.26 N ATOM 903 CA ALA A 717 17.192 8.214 -13.617 1.00 29.48 C ATOM 904 C ALA A 717 18.316 7.269 -13.991 1.00 27.86 C ATOM 905 O ALA A 717 19.483 7.673 -14.028 1.00 29.94 O ATOM 906 CB ALA A 717 16.891 8.090 -12.122 1.00 31.80 C ATOM 907 H ALA A 717 15.124 7.623 -13.949 1.00 0.00 H ATOM 908 N ALA A 718 17.986 6.002 -14.248 1.00 27.66 N ATOM 909 CA ALA A 718 19.020 5.054 -14.650 1.00 24.49 C ATOM 910 C ALA A 718 19.589 5.406 -16.019 1.00 24.05 C ATOM 911 O ALA A 718 20.795 5.276 -16.243 1.00 26.75 O ATOM 912 CB ALA A 718 18.460 3.630 -14.651 1.00 26.51 C ATOM 913 H ALA A 718 16.997 5.692 -14.162 1.00 0.00 H ATOM 914 N VAL A 719 18.733 5.806 -16.963 1.00 23.35 N ATOM 915 CA VAL A 719 19.205 6.272 -18.267 1.00 24.78 C ATOM 916 C VAL A 719 20.183 7.429 -18.094 1.00 27.96 C ATOM 917 O VAL A 719 21.273 7.448 -18.689 1.00 27.64 O ATOM 918 CB VAL A 719 18.015 6.678 -19.156 1.00 27.76 C ATOM 919 CG1 VAL A 719 18.503 7.386 -20.406 1.00 30.26 C ATOM 920 CG2 VAL A 719 17.211 5.421 -19.519 1.00 26.81 C ATOM 921 H VAL A 719 17.712 5.786 -16.767 1.00 0.00 H ATOM 922 N ARG A 720 19.816 8.398 -17.262 1.00 25.39 N ATOM 923 CA ARG A 720 20.666 9.572 -17.084 1.00 25.04 C ATOM 924 C ARG A 720 21.974 9.196 -16.412 1.00 29.08 C ATOM 925 O ARG A 720 23.038 9.718 -16.781 1.00 30.19 O ATOM 926 CB ARG A 720 19.945 10.647 -16.265 1.00 29.77 C ATOM 927 CG ARG A 720 20.528 12.050 -16.462 1.00 40.72 C ATOM 928 CD ARG A 720 19.843 13.062 -15.553 1.00 44.79 C ATOM 929 NE ARG A 720 20.122 12.726 -14.157 1.00 51.43 N ATOM 930 CZ ARG A 720 19.701 13.427 -13.110 1.00 60.04 C ATOM 931 NH1 ARG A 720 18.965 14.510 -13.291 1.00 52.22 N ATOM 932 NH2 ARG A 720 20.013 13.040 -11.880 1.00 61.76 N ATOM 933 HE ARG A 720 20.692 11.876 -13.970 1.00 0.00 H ATOM 934 HH12 ARG A 720 18.636 15.058 -12.471 1.00 0.00 H ATOM 935 HH11 ARG A 720 18.715 14.814 -14.254 1.00 0.00 H ATOM 936 HH22 ARG A 720 19.682 13.591 -11.062 1.00 0.00 H ATOM 937 HH21 ARG A 720 20.588 12.186 -11.734 1.00 0.00 H ATOM 938 H ARG A 720 18.922 8.320 -16.737 1.00 0.00 H ATOM 939 N LEU A 721 21.911 8.298 -15.419 1.00 28.44 N ATOM 940 CA LEU A 721 23.127 7.813 -14.777 1.00 24.80 C ATOM 941 C LEU A 721 24.013 7.086 -15.778 1.00 26.94 C ATOM 942 O LEU A 721 25.237 7.255 -15.759 1.00 28.20 O ATOM 943 CB LEU A 721 22.784 6.903 -13.588 1.00 25.23 C ATOM 944 CG LEU A 721 23.999 6.409 -12.784 1.00 25.49 C ATOM 945 CD1 LEU A 721 24.709 7.605 -12.180 1.00 30.38 C ATOM 946 CD2 LEU A 721 23.627 5.370 -11.718 1.00 32.97 C ATOM 947 H LEU A 721 20.986 7.944 -15.103 1.00 0.00 H ATOM 948 N ARG A 722 23.417 6.271 -16.664 1.00 23.64 N ATOM 949 CA ARG A 722 24.217 5.585 -17.682 1.00 24.85 C ATOM 950 C ARG A 722 24.956 6.594 -18.553 1.00 30.07 C ATOM 951 O ARG A 722 26.155 6.440 -18.823 1.00 31.26 O ATOM 952 CB ARG A 722 23.307 4.705 -18.542 1.00 24.38 C ATOM 953 CG ARG A 722 24.060 3.919 -19.620 1.00 30.36 C ATOM 954 CD ARG A 722 23.059 3.127 -20.468 1.00 29.10 C ATOM 955 NE ARG A 722 22.237 4.028 -21.272 1.00 29.63 N ATOM 956 CZ ARG A 722 21.022 3.741 -21.731 1.00 32.17 C ATOM 957 NH1 ARG A 722 20.465 2.562 -21.452 1.00 33.74 N ATOM 958 NH2 ARG A 722 20.365 4.641 -22.446 1.00 30.69 N ATOM 959 HE ARG A 722 22.631 4.963 -21.502 1.00 0.00 H ATOM 960 HH12 ARG A 722 19.515 2.338 -21.811 1.00 0.00 H ATOM 961 HH11 ARG A 722 20.981 1.867 -20.875 1.00 0.00 H ATOM 962 HH22 ARG A 722 19.415 4.424 -22.808 1.00 0.00 H ATOM 963 HH21 ARG A 722 20.799 5.565 -22.645 1.00 0.00 H ATOM 964 H ARG A 722 22.388 6.127 -16.627 1.00 0.00 H ATOM 965 N GLU A 723 24.261 7.656 -18.954 1.00 28.95 N ATOM 966 CA GLU A 723 24.843 8.673 -19.823 1.00 33.48 C ATOM 967 C GLU A 723 25.941 9.435 -19.103 1.00 37.36 C ATOM 968 O GLU A 723 27.086 9.494 -19.571 1.00 37.60 O ATOM 969 CB GLU A 723 23.753 9.629 -20.297 1.00 32.31 C ATOM 970 CG GLU A 723 22.735 8.983 -21.214 1.00 37.58 C ATOM 971 CD GLU A 723 21.549 9.885 -21.532 1.00 48.05 C ATOM 972 OE1 GLU A 723 21.432 10.977 -20.920 1.00 52.03 O ATOM 973 OE2 GLU A 723 20.736 9.494 -22.398 1.00 48.29 O ATOM 974 H GLU A 723 23.276 7.764 -18.639 1.00 0.00 H ATOM 975 N GLN A 724 25.623 9.978 -17.932 1.00 31.73 N ATOM 976 CA GLN A 724 26.601 10.801 -17.223 1.00 32.70 C ATOM 977 C GLN A 724 27.749 9.960 -16.674 1.00 36.23 C ATOM 978 O GLN A 724 28.900 10.420 -16.632 1.00 40.52 O ATOM 979 CB GLN A 724 25.907 11.575 -16.106 1.00 32.29 C ATOM 980 CG GLN A 724 24.842 12.542 -16.577 1.00 37.18 C ATOM 981 CD GLN A 724 24.487 13.507 -15.492 1.00 46.31 C ATOM 982 OE1 GLN A 724 24.845 14.684 -15.548 1.00 65.59 O ATOM 983 NE2 GLN A 724 23.801 13.020 -14.478 1.00 39.91 N ATOM 984 HE22 GLN A 724 23.520 12.019 -14.473 1.00 0.00 H ATOM 985 HE21 GLN A 724 23.541 13.637 -13.682 1.00 0.00 H ATOM 986 H GLN A 724 24.681 9.818 -17.521 1.00 0.00 H ATOM 987 N GLY A 725 27.461 8.732 -16.241 1.00 30.82 N ATOM 988 CA GLY A 725 28.499 7.862 -15.717 1.00 33.95 C ATOM 989 C GLY A 725 29.488 7.412 -16.770 1.00 42.52 C ATOM 990 O GLY A 725 30.664 7.199 -16.463 1.00 35.99 O ATOM 991 H GLY A 725 26.479 8.392 -16.279 1.00 0.00 H ATOM 992 N GLY A 726 29.043 7.284 -18.021 1.00 46.09 N ATOM 993 CA GLY A 726 29.944 6.832 -19.075 1.00 46.89 C ATOM 994 C GLY A 726 31.115 7.774 -19.297 1.00 42.68 C ATOM 995 O GLY A 726 32.251 7.336 -19.506 1.00 35.51 O ATOM 996 H GLY A 726 28.052 7.507 -18.245 1.00 0.00 H ATOM 997 N ALA A 727 30.863 9.077 -19.240 1.00 41.26 N ATOM 998 CA ALA A 727 31.959 10.023 -19.372 1.00 36.08 C ATOM 999 C ALA A 727 32.895 9.942 -18.174 1.00 31.68 C ATOM 1000 O ALA A 727 34.118 10.004 -18.333 1.00 34.64 O ATOM 1001 CB ALA A 727 31.416 11.441 -19.534 1.00 42.31 C ATOM 1002 H ALA A 727 29.890 9.417 -19.102 1.00 0.00 H ATOM 1003 N VAL A 728 32.335 9.798 -16.965 1.00 31.73 N ATOM 1004 CA VAL A 728 33.158 9.670 -15.766 1.00 29.49 C ATOM 1005 C VAL A 728 34.051 8.445 -15.871 1.00 29.91 C ATOM 1006 O VAL A 728 35.242 8.493 -15.541 1.00 33.41 O ATOM 1007 CB VAL A 728 32.272 9.611 -14.505 1.00 29.77 C ATOM 1008 CG1 VAL A 728 33.103 9.215 -13.261 1.00 34.12 C ATOM 1009 CG2 VAL A 728 31.550 10.950 -14.290 1.00 34.36 C ATOM 1010 H VAL A 728 31.299 9.777 -16.880 1.00 0.00 H ATOM 1011 N LEU A 729 33.483 7.329 -16.342 1.00 28.04 N ATOM 1012 CA LEU A 729 34.233 6.083 -16.417 1.00 27.50 C ATOM 1013 C LEU A 729 35.307 6.141 -17.488 1.00 31.49 C ATOM 1014 O LEU A 729 36.408 5.612 -17.296 1.00 31.41 O ATOM 1015 CB LEU A 729 33.276 4.926 -16.701 1.00 31.43 C ATOM 1016 CG LEU A 729 32.457 4.573 -15.465 1.00 34.44 C ATOM 1017 CD1 LEU A 729 31.274 3.707 -15.881 1.00 41.58 C ATOM 1018 CD2 LEU A 729 33.313 3.877 -14.424 1.00 34.78 C ATOM 1019 H LEU A 729 32.493 7.352 -16.659 1.00 0.00 H ATOM 1020 N ARG A 730 35.008 6.757 -18.635 1.00 31.63 N ATOM 1021 CA ARG A 730 36.021 6.848 -19.680 1.00 33.84 C ATOM 1022 C ARG A 730 37.221 7.658 -19.206 1.00 34.26 C ATOM 1023 O ARG A 730 38.372 7.269 -19.437 1.00 36.48 O ATOM 1024 CB ARG A 730 35.432 7.455 -20.951 1.00 38.72 C ATOM 1025 CG ARG A 730 36.468 7.621 -22.052 1.00 39.47 C ATOM 1026 CD ARG A 730 35.852 8.060 -23.367 1.00 36.56 C ATOM 1027 NE ARG A 730 36.853 8.115 -24.421 1.00 36.73 N ATOM 1028 CZ ARG A 730 36.576 8.088 -25.719 1.00 37.75 C ATOM 1029 NH1 ARG A 730 35.315 7.988 -26.130 1.00 36.19 N ATOM 1030 NH2 ARG A 730 37.565 8.139 -26.600 1.00 38.99 N ATOM 1031 HE ARG A 730 37.852 8.180 -24.139 1.00 0.00 H ATOM 1032 HH12 ARG A 730 35.100 7.967 -27.147 1.00 0.00 H ATOM 1033 HH11 ARG A 730 34.544 7.931 -25.434 1.00 0.00 H ATOM 1034 HH22 ARG A 730 37.356 8.118 -27.619 1.00 0.00 H ATOM 1035 HH21 ARG A 730 38.550 8.200 -26.273 1.00 0.00 H ATOM 1036 H ARG A 730 34.063 7.167 -18.781 1.00 0.00 H ATOM 1037 N GLN A 731 36.972 8.776 -18.519 1.00 33.14 N ATOM 1038 CA GLN A 731 38.079 9.593 -18.032 1.00 36.48 C ATOM 1039 C GLN A 731 38.861 8.871 -16.943 1.00 36.46 C ATOM 1040 O GLN A 731 40.096 8.943 -16.906 1.00 40.46 O ATOM 1041 CB GLN A 731 37.547 10.933 -17.529 1.00 36.89 C ATOM 1042 H GLN A 731 35.990 9.064 -18.331 1.00 0.00 H ATOM 1043 N ALA A 732 38.166 8.155 -16.056 1.00 34.61 N ATOM 1044 CA ALA A 732 38.871 7.395 -15.025 1.00 38.62 C ATOM 1045 C ALA A 732 39.738 6.309 -15.640 1.00 40.22 C ATOM 1046 O ALA A 732 40.862 6.067 -15.182 1.00 42.48 O ATOM 1047 CB ALA A 732 37.876 6.783 -14.042 1.00 36.65 C ATOM 1048 H ALA A 732 37.127 8.138 -16.098 1.00 0.00 H ATOM 1049 N ARG A 733 39.235 5.638 -16.676 1.00 35.45 N ATOM 1050 CA ARG A 733 40.009 4.551 -17.269 1.00 38.06 C ATOM 1051 C ARG A 733 41.235 5.084 -17.993 1.00 48.17 C ATOM 1052 O ARG A 733 42.287 4.432 -17.994 1.00 49.86 O ATOM 1053 CB ARG A 733 39.130 3.732 -18.217 1.00 35.51 C ATOM 1054 CG ARG A 733 39.758 2.423 -18.670 1.00 46.42 C ATOM 1055 CD ARG A 733 39.005 1.814 -19.846 1.00 48.73 C ATOM 1056 NE ARG A 733 37.732 1.198 -19.471 1.00 42.59 N ATOM 1057 CZ ARG A 733 37.607 -0.070 -19.089 1.00 41.12 C ATOM 1058 NH1 ARG A 733 38.680 -0.842 -19.005 1.00 40.38 N ATOM 1059 NH2 ARG A 733 36.419 -0.564 -18.777 1.00 43.41 N ATOM 1060 HE ARG A 733 36.875 1.786 -19.505 1.00 0.00 H ATOM 1061 HH12 ARG A 733 38.585 -1.834 -18.707 1.00 0.00 H ATOM 1062 HH11 ARG A 733 39.618 -0.456 -19.237 1.00 0.00 H ATOM 1063 HH22 ARG A 733 36.330 -1.557 -18.479 1.00 0.00 H ATOM 1064 HH21 ARG A 733 35.574 0.040 -18.830 1.00 0.00 H ATOM 1065 H ARG A 733 38.300 5.886 -17.058 1.00 0.00 H ATOM 1066 N ARG A 734 41.123 6.263 -18.609 1.00 38.94 N ATOM 1067 CA ARG A 734 42.302 6.912 -19.173 1.00 46.56 C ATOM 1068 C ARG A 734 43.360 7.123 -18.099 1.00 50.16 C ATOM 1069 O ARG A 734 44.541 6.818 -18.305 1.00 53.54 O ATOM 1070 CB ARG A 734 41.915 8.243 -19.827 1.00 52.12 C ATOM 1071 CG ARG A 734 41.267 8.105 -21.201 1.00 57.23 C ATOM 1072 CD ARG A 734 41.040 9.461 -21.873 1.00 69.74 C ATOM 1073 NE ARG A 734 39.648 9.906 -21.792 1.00 78.00 N ATOM 1074 CZ ARG A 734 39.205 10.852 -20.967 1.00 82.51 C ATOM 1075 NH1 ARG A 734 40.044 11.469 -20.141 1.00 81.40 N ATOM 1076 NH2 ARG A 734 37.918 11.184 -20.968 1.00 80.29 N ATOM 1077 HE ARG A 734 38.957 9.452 -22.423 1.00 0.00 H ATOM 1078 HH12 ARG A 734 39.692 12.207 -19.499 1.00 0.00 H ATOM 1079 HH11 ARG A 734 41.052 11.213 -20.137 1.00 0.00 H ATOM 1080 HH22 ARG A 734 37.571 11.923 -20.324 1.00 0.00 H ATOM 1081 HH21 ARG A 734 37.258 10.705 -21.613 1.00 0.00 H ATOM 1082 H ARG A 734 40.192 6.721 -18.687 1.00 0.00 H ATOM 1083 N GLN A 735 42.944 7.622 -16.931 1.00 51.52 N ATOM 1084 CA GLN A 735 43.870 7.779 -15.813 1.00 50.28 C ATOM 1085 C GLN A 735 44.485 6.446 -15.406 1.00 51.24 C ATOM 1086 O GLN A 735 45.696 6.361 -15.168 1.00 56.36 O ATOM 1087 CB GLN A 735 43.154 8.414 -14.622 1.00 54.61 C ATOM 1088 CG GLN A 735 42.685 9.842 -14.842 1.00 61.65 C ATOM 1089 CD GLN A 735 42.121 10.468 -13.574 1.00 67.67 C ATOM 1090 OE1 GLN A 735 42.866 10.809 -12.656 1.00 73.20 O ATOM 1091 NE2 GLN A 735 40.798 10.609 -13.514 1.00 63.18 N ATOM 1092 HE22 GLN A 735 40.206 10.307 -14.314 1.00 0.00 H ATOM 1093 HE21 GLN A 735 40.357 11.021 -12.667 1.00 0.00 H ATOM 1094 H GLN A 735 41.949 7.902 -16.817 1.00 0.00 H ATOM 1095 N ALA A 736 43.666 5.394 -15.317 1.00 50.75 N ATOM 1096 CA ALA A 736 44.169 4.094 -14.884 1.00 55.90 C ATOM 1097 C ALA A 736 45.221 3.560 -15.849 1.00 65.16 C ATOM 1098 O ALA A 736 46.303 3.131 -15.431 1.00 66.60 O ATOM 1099 CB ALA A 736 43.014 3.101 -14.746 1.00 53.79 C ATOM 1100 H ALA A 736 42.660 5.503 -15.559 1.00 0.00 H ATOM 1101 N GLU A 737 44.922 3.590 -17.150 1.00 63.04 N ATOM 1102 CA GLU A 737 45.831 3.021 -18.142 1.00 65.63 C ATOM 1103 C GLU A 737 47.179 3.731 -18.177 1.00 66.12 C ATOM 1104 O GLU A 737 48.154 3.157 -18.675 1.00 67.21 O ATOM 1105 CB GLU A 737 45.173 3.051 -19.523 1.00 69.28 C ATOM 1106 CG GLU A 737 43.940 2.155 -19.633 1.00 68.32 C ATOM 1107 CD GLU A 737 43.233 2.299 -20.967 1.00 70.40 C ATOM 1108 OE1 GLU A 737 43.586 3.225 -21.727 1.00 76.93 O ATOM 1109 OE2 GLU A 737 42.327 1.488 -21.257 1.00 69.86 O ATOM 1110 H GLU A 737 44.030 4.024 -17.461 1.00 0.00 H ATOM 1111 N LYS A 738 47.263 4.957 -17.656 1.00 65.51 N ATOM 1112 CA LYS A 738 48.545 5.642 -17.537 1.00 69.46 C ATOM 1113 C LYS A 738 49.407 5.089 -16.410 1.00 71.99 C ATOM 1114 O LYS A 738 50.606 5.387 -16.368 1.00 75.19 O ATOM 1115 CB LYS A 738 48.319 7.139 -17.326 1.00 64.60 C ATOM 1116 CG LYS A 738 48.003 7.901 -18.601 1.00 62.49 C ATOM 1117 CD LYS A 738 49.266 8.124 -19.420 1.00 60.53 C ATOM 1118 H LYS A 738 46.398 5.433 -17.329 1.00 0.00 H ATOM 1119 N MET A 739 48.835 4.297 -15.508 1.00 73.06 N ATOM 1120 CA MET A 739 49.574 3.756 -14.371 1.00 79.28 C ATOM 1121 C MET A 739 50.456 2.581 -14.793 1.00 81.68 C ATOM 1122 O MET A 739 50.244 1.444 -14.370 1.00 83.41 O ATOM 1123 CB MET A 739 48.604 3.331 -13.261 1.00 75.80 C ATOM 1124 CG MET A 739 47.771 4.479 -12.695 1.00 68.92 C ATOM 1125 SD MET A 739 46.413 3.988 -11.597 1.00 58.66 S ATOM 1126 CE MET A 739 45.865 5.604 -11.065 1.00 50.08 C ATOM 1127 H MET A 739 47.829 4.055 -15.616 1.00 0.00 H TER 1128 MET A 739 HETATM 1129 O HOH 1 39.943 -4.019 -16.683 1.00 48.91 O HETATM 1130 O HOH 2 22.967 11.013 -13.671 1.00 42.21 O HETATM 1131 O HOH 3 29.159 4.490 -1.577 1.00 53.66 O HETATM 1132 O HOH 4 38.715 -7.573 -9.536 1.00 53.00 O HETATM 1133 O HOH 5 24.149 8.148 -4.731 1.00 40.70 O HETATM 1134 O HOH 6 29.043 -7.852 -11.318 1.00 51.94 O HETATM 1135 O HOH 7 21.139 7.197 -23.397 1.00 42.30 O HETATM 1136 O HOH 8 16.908 -1.297 -9.322 1.00 41.74 O HETATM 1137 O HOH 9 30.259 -7.833 -7.203 1.00 52.95 O HETATM 1138 O HOH 10 18.201 -0.691 1.644 1.00 57.83 O HETATM 1139 O HOH 11 17.370 1.767 -1.294 1.00 51.47 O HETATM 1140 O HOH 12 20.786 0.301 -7.008 1.00 37.36 O HETATM 1141 O HOH 13 24.676 -4.999 -16.367 1.00 38.44 O HETATM 1142 O HOH 14 19.872 -3.266 -7.828 1.00 39.98 O HETATM 1143 O HOH 15 22.164 -4.099 -3.887 1.00 47.39 O HETATM 1144 O HOH 16 25.327 15.328 -6.356 1.00 50.77 O HETATM 1145 O HOH 17 38.866 -3.338 -4.807 1.00 43.57 O HETATM 1146 O HOH 18 29.520 13.068 -16.824 1.00 43.84 O HETATM 1147 O HOH 19 12.214 -8.724 -10.348 1.00 53.97 O HETATM 1148 O HOH 20 34.239 -4.059 2.862 1.00 53.95 O HETATM 1149 O HOH 21 19.201 1.237 -4.972 1.00 42.11 O HETATM 1150 O HOH 22 38.155 9.492 -11.421 1.00 40.24 O HETATM 1151 O HOH 23 32.555 4.892 -20.726 1.00 45.68 O HETATM 1152 O HOH 24 18.386 -5.120 -3.156 1.00 53.72 O HETATM 1153 O HOH 25 20.512 -6.421 -14.775 1.00 36.35 O HETATM 1154 O HOH 26 40.572 9.019 -3.789 1.00 46.47 O HETATM 1155 O HOH 27 23.307 14.492 -12.064 1.00 48.86 O HETATM 1156 O HOH 28 19.858 -3.302 -4.697 1.00 45.18 O HETATM 1157 O HOH 29 25.538 15.919 -10.532 1.00 48.83 O HETATM 1158 O HOH 30 19.702 -0.647 -9.319 1.00 33.07 O HETATM 1159 O HOH 31 33.633 -9.860 -13.302 1.00 48.58 O HETATM 1160 O HOH 32 29.032 -7.796 -4.779 1.00 48.15 O HETATM 1161 O HOH 33 20.809 -8.686 -11.809 1.00 45.98 O HETATM 1162 O HOH 34 14.636 5.969 -22.424 1.00 49.89 O HETATM 1163 O HOH 35 27.195 -5.501 -15.633 1.00 36.15 O HETATM 1164 O HOH 36 27.657 4.050 -18.915 1.00 45.64 O HETATM 1165 O HOH 37 44.149 -3.460 -12.938 1.00 57.31 O HETATM 1166 O HOH 38 20.530 9.736 -12.360 1.00 35.73 O HETATM 1167 O HOH 39 26.222 5.199 -0.811 1.00 46.62 O HETATM 1168 O HOH 40 19.565 10.579 -9.484 1.00 48.16 O HETATM 1169 O HOH 41 36.553 10.607 -14.082 1.00 40.36 O HETATM 1170 O HOH 42 7.506 0.122 -19.678 1.00 35.87 O HETATM 1171 O HOH 43 31.542 15.469 -14.668 1.00 58.14 O HETATM 1172 O HOH 44 39.649 7.343 -24.604 1.00 49.98 O HETATM 1173 O HOH 45 30.851 13.826 -10.815 1.00 43.34 O HETATM 1174 O HOH 46 6.129 9.094 -18.035 1.00 54.19 O HETATM 1175 O HOH 47 7.481 0.265 -12.652 1.00 44.23 O HETATM 1176 O HOH 48 28.794 -4.666 -17.837 1.00 35.40 O HETATM 1177 O HOH 49 19.234 3.862 -2.494 1.00 45.33 O HETATM 1178 O HOH 50 21.861 0.000 -20.999 1.00 32.31 O HETATM 1179 O HOH 51 8.628 3.074 -25.410 1.00 42.75 O HETATM 1180 O HOH 52 33.372 -3.587 -17.619 1.00 46.52 O HETATM 1181 O HOH 53 24.092 5.989 -22.754 1.00 44.24 O HETATM 1182 O HOH 54 50.691 -5.395 -10.824 1.00 57.56 O HETATM 1183 O HOH 55 19.037 -9.593 -13.800 1.00 58.38 O HETATM 1184 O HOH 56 5.987 2.590 -19.524 1.00 42.46 O HETATM 1185 O HOH 57 35.668 -9.690 -9.005 1.00 56.50 O HETATM 1186 O HOH 58 32.926 14.187 -12.521 1.00 49.12 O HETATM 1187 O HOH 59 6.177 3.880 -21.644 1.00 45.14 O HETATM 1188 O HOH 60 22.839 -10.028 -13.184 1.00 47.36 O HETATM 1189 O HOH 61 22.846 -6.307 -2.195 1.00 52.94 O HETATM 1190 O HOH 62 34.379 -11.644 -15.495 1.00 55.22 O HETATM 1191 O HOH 63 6.828 -2.202 -18.433 1.00 40.72 O HETATM 1192 O HOH 64 4.279 -1.577 -17.327 1.00 49.10 O HETATM 1193 C2 UNN A 65 12.538 0.978 -5.992 1.00 0.21 C HETATM 1194 N3 UNN A 65 13.483 1.307 -5.021 1.00 -0.21 N HETATM 1195 C4 UNN A 65 14.830 1.344 -5.379 1.00 0.19 C HETATM 1196 N4 UNN A 65 15.177 1.061 -6.642 1.00 -0.20 N HETATM 1197 C5 UNN A 65 14.234 0.746 -7.545 1.00 0.21 C HETATM 1198 O2 UNN A 65 14.572 0.460 -8.823 1.00 -0.42 O HETATM 1199 C1 UNN A 65 12.931 0.702 -7.240 1.00 0.15 C HETATM 1200 N2 UNN A 65 11.841 0.422 -7.960 1.00 -0.25 N HETATM 1201 C3 UNN A 65 10.799 0.534 -7.135 1.00 0.30 C HETATM 1202 O1 UNN A 65 9.618 0.353 -7.435 1.00 -0.41 O HETATM 1203 N1 UNN A 65 11.212 0.874 -5.923 1.00 -0.20 N HETATM 1204 H4 UNN A 65 10.641 1.023 -5.116 1.00 0.23 H HETATM 1205 H3 UNN A 65 11.812 0.176 -8.929 1.00 0.21 H HETATM 1206 H1 UNN A 65 16.139 1.084 -6.913 1.00 0.24 H HETATM 1207 S1 UNN A 65 16.024 1.751 -4.188 1.00 -0.30 S HETATM 1208 H2 UNN A 65 13.200 1.513 -4.084 1.00 0.24 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1193 1194 1199 1203 CONECT 1194 1193 1195 1208 CONECT 1195 1194 1196 1207 CONECT 1196 1195 1197 1206 CONECT 1197 1196 1198 1199 CONECT 1198 1197 CONECT 1199 1193 1197 1200 CONECT 1200 1199 1201 1205 CONECT 1201 1200 1202 1203 CONECT 1202 1201 CONECT 1203 1193 1201 1204 CONECT 1204 1203 CONECT 1205 1200 CONECT 1206 1196 CONECT 1207 1195 CONECT 1208 1194 MASTER 0 0 0 0 0 0 0 0 1207 1 20 9 END
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Structure:
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Related entries of code: 5e3g
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%
5em3
RCSB PDB
PDBbind
116aa, >5EM3_1|Chain... at 97%
5epr
RCSB PDB
PDBbind
116aa, >5EPR_1|Chain... at 97%
5eps
RCSB PDB
PDBbind
116aa, >5EPS_1|Chain... at 97%
5eq1
RCSB PDB
PDBbind
116aa, >5EQ1_1|Chain... at 97%
5etb
RCSB PDB
PDBbind
116aa, >5ETB_1|Chain... at 97%
5eva
RCSB PDB
PDBbind
116aa, >5EVA_1|Chain... at 97%
5ewd
RCSB PDB
PDBbind
116aa, >5EWD_1|Chain... at 97%
5ewh
RCSB PDB
PDBbind
116aa, >5EWH_1|Chain... at 97%
5mwg
RCSB PDB
PDBbind
116aa, >5MWG_1|Chains... at 97%
5mwh
RCSB PDB
PDBbind
116aa, >5MWH_1|Chains... at 97%
5mwz
RCSB PDB
PDBbind
116aa, >5MWZ_1|Chain... at 97%
5myg
RCSB PDB
PDBbind
116aa, >5MYG_1|Chains... at 97%
5o4s
RCSB PDB
PDBbind
116aa, >5O4S_1|Chains... at 97%
5o4t
RCSB PDB
PDBbind
116aa, >5O4T_1|Chain... at 97%
5o55
RCSB PDB
PDBbind
116aa, >5O55_1|Chain... at 97%
5o5a
RCSB PDB
PDBbind
116aa, >5O5A_1|Chain... at 97%
5o5f
RCSB PDB
PDBbind
116aa, >5O5F_1|Chain... at 97%
5o5h
RCSB PDB
PDBbind
116aa, >5O5H_1|Chain... at 97%
5ov8
RCSB PDB
PDBbind
116aa, >5OV8_1|Chains... at 97%
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
5e3g
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
human BRPF1 bromodomain
Ligand Name
5JQ
EC.Number
E.C.-.-.-.-
Resolution
1.65(Å)
Affinity (Kd/Ki/IC50)
Kd>50uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J.Med.Chem. Vol. 59: pp. 5555-5561
Ligand Properties
Formula
C
5
H
4
N
4
O
2
S
Molecular Weight
184.176
Exact Mass
184.005
No. of atoms
16
No. of bonds
17
Polar Surface Area
129.39
LOGP Value
-1.31 (
Computed with XLOGP3
)
-0.40 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 2
Canonical SMILES
O=c1[nH]c2c([nH]1)[nH]c(=S)[nH]c2=O
InChI String
InChI=1S/C5H4N4O2S/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P55201
Entrez Gene ID
NCBI Entrez Gene ID:
7862
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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